USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=25 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 -141:sc= -0.0551 (180deg=-1.82) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 69 ASN : amide:sc= -0.757 K(o=-3.8,f=-4.5) USER MOD Set 2.2: A 73 TYR OH : rot 103:sc= 0.293 USER MOD Set 2.3: A 90 MET CE :methyl -173:sc= -3.36! (180deg=-3.74!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 61:sc= 0.237 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -63:sc= 0.164 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 32 ASN : amide:sc= -0.725 K(o=-0.73,f=-1.6) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.374 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 36 SER OG : rot -120:sc= -0.754 USER MOD Single : A 39 ASN : amide:sc= 0.183! C(o=0.18!,f=-8.8!) USER MOD Single : A 42 SER OG : rot 140:sc= -0.226 USER MOD Single : A 44 CYS SG : rot 78:sc= -0.5 USER MOD Single : A 48 HIS : no HD1:sc= -5.26! C(o=-5.3!,f=-5.2!) USER MOD Single : A 49 HIS : no HD1:sc= -7.06! C(o=-7.1!,f=-7.1!) USER MOD Single : A 57 TYR OH : rot 158:sc= -1.17 USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= -0.449 (180deg=-1.71!) USER MOD Single : A 59 SER OG : rot -59:sc= 1.15 USER MOD Single : A 61 ASN :FLIP amide:sc= -2.77! C(o=-3.3!,f=-2.8!) USER MOD Single : A 63 GLN : amide:sc= -9.34! C(o=-9.3!,f=-14!) USER MOD Single : A 66 LYS NZ :NH3+ -123:sc= -1.97 (180deg=-2.59!) USER MOD Single : A 68 ASN : amide:sc= -0.257 K(o=-0.26,f=-3.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -107:sc= -0.467 (180deg=-3.35!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 104 TYR OH : rot -136:sc= 0.038 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -2.03! C(o=-2!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 115 N GLN A 12 12.408 0.812 -8.504 1.00 0.00 N ATOM 116 CA GLN A 12 11.508 0.330 -9.545 1.00 0.00 C ATOM 117 C GLN A 12 10.819 -0.961 -9.115 1.00 0.00 C ATOM 118 O GLN A 12 9.607 -1.109 -9.268 1.00 0.00 O ATOM 119 CB GLN A 12 12.278 0.101 -10.847 1.00 0.00 C ATOM 120 CG GLN A 12 11.496 -0.688 -11.885 1.00 0.00 C ATOM 121 CD GLN A 12 12.336 -1.056 -13.093 1.00 0.00 C ATOM 122 OE1 GLN A 12 13.366 -0.436 -13.359 1.00 0.00 O ATOM 123 NE2 GLN A 12 11.899 -2.069 -13.831 1.00 0.00 N ATOM 0 HA GLN A 12 10.744 1.090 -9.710 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.556 1.066 -11.270 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.205 -0.427 -10.623 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.107 -1.597 -11.427 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.636 -0.102 -12.210 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.040 -2.554 -13.573 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.422 -2.362 -14.656 1.00 0.00 H new ATOM 132 N SER A 13 11.600 -1.892 -8.576 1.00 0.00 N ATOM 133 CA SER A 13 11.065 -3.172 -8.127 1.00 0.00 C ATOM 134 C SER A 13 9.781 -2.974 -7.329 1.00 0.00 C ATOM 135 O SER A 13 8.841 -3.763 -7.436 1.00 0.00 O ATOM 136 CB SER A 13 12.100 -3.910 -7.276 1.00 0.00 C ATOM 137 OG SER A 13 13.069 -4.548 -8.090 1.00 0.00 O ATOM 0 H SER A 13 12.605 -1.784 -8.440 1.00 0.00 H new ATOM 0 HA SER A 13 10.835 -3.771 -9.008 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.591 -3.206 -6.604 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.600 -4.651 -6.652 1.00 0.00 H new ATOM 0 HG SER A 13 13.720 -5.011 -7.522 1.00 0.00 H new ATOM 143 N LEU A 14 9.747 -1.915 -6.527 1.00 0.00 N ATOM 144 CA LEU A 14 8.579 -1.612 -5.709 1.00 0.00 C ATOM 145 C LEU A 14 7.351 -1.371 -6.581 1.00 0.00 C ATOM 146 O LEU A 14 6.399 -2.152 -6.562 1.00 0.00 O ATOM 147 CB LEU A 14 8.847 -0.385 -4.836 1.00 0.00 C ATOM 148 CG LEU A 14 7.648 0.164 -4.062 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.166 -0.849 -3.035 1.00 0.00 C ATOM 150 CD2 LEU A 14 8.006 1.481 -3.387 1.00 0.00 C ATOM 0 H LEU A 14 10.516 -1.252 -6.426 1.00 0.00 H new ATOM 0 HA LEU A 14 8.383 -2.471 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.631 -0.637 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.238 0.409 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 14 6.838 0.349 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.312 -0.441 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.869 -1.767 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.971 -1.066 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.141 1.857 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.832 1.322 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.302 2.208 -4.143 1.00 0.00 H new ATOM 162 N LEU A 15 7.380 -0.286 -7.347 1.00 0.00 N ATOM 163 CA LEU A 15 6.270 0.058 -8.229 1.00 0.00 C ATOM 164 C LEU A 15 5.735 -1.181 -8.940 1.00 0.00 C ATOM 165 O LEU A 15 4.524 -1.368 -9.059 1.00 0.00 O ATOM 166 CB LEU A 15 6.714 1.098 -9.259 1.00 0.00 C ATOM 167 CG LEU A 15 5.596 1.885 -9.944 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.240 3.122 -9.135 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.005 2.270 -11.358 1.00 0.00 C ATOM 0 H LEU A 15 8.160 0.371 -7.375 1.00 0.00 H new ATOM 0 HA LEU A 15 5.471 0.478 -7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.380 1.806 -8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.298 0.592 -10.028 1.00 0.00 H new ATOM 0 HG LEU A 15 4.713 1.248 -10.002 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.443 3.669 -9.638 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.904 2.823 -8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.118 3.762 -9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.198 2.829 -11.831 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.902 2.888 -11.322 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.209 1.369 -11.936 1.00 0.00 H new ATOM 181 N VAL A 16 6.647 -2.028 -9.409 1.00 0.00 N ATOM 182 CA VAL A 16 6.267 -3.251 -10.104 1.00 0.00 C ATOM 183 C VAL A 16 5.615 -4.246 -9.151 1.00 0.00 C ATOM 184 O VAL A 16 4.552 -4.794 -9.441 1.00 0.00 O ATOM 185 CB VAL A 16 7.485 -3.919 -10.771 1.00 0.00 C ATOM 186 CG1 VAL A 16 7.063 -5.172 -11.523 1.00 0.00 C ATOM 187 CG2 VAL A 16 8.186 -2.940 -11.701 1.00 0.00 C ATOM 0 H VAL A 16 7.654 -1.889 -9.320 1.00 0.00 H new ATOM 0 HA VAL A 16 5.550 -2.967 -10.874 1.00 0.00 H new ATOM 0 HB VAL A 16 8.188 -4.212 -9.992 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.937 -5.629 -11.987 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.610 -5.878 -10.828 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.339 -4.907 -12.294 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.044 -3.428 -12.164 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.492 -2.614 -12.476 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.525 -2.075 -11.130 1.00 0.00 H new ATOM 197 N TRP A 17 6.259 -4.474 -8.012 1.00 0.00 N ATOM 198 CA TRP A 17 5.741 -5.404 -7.014 1.00 0.00 C ATOM 199 C TRP A 17 4.250 -5.182 -6.787 1.00 0.00 C ATOM 200 O TRP A 17 3.465 -6.131 -6.787 1.00 0.00 O ATOM 201 CB TRP A 17 6.501 -5.244 -5.696 1.00 0.00 C ATOM 202 CG TRP A 17 6.044 -6.193 -4.629 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.560 -7.427 -4.354 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.978 -5.984 -3.697 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.879 -7.998 -3.307 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.904 -7.133 -2.885 1.00 0.00 C ATOM 207 CE3 TRP A 17 4.080 -4.939 -3.466 1.00 0.00 C ATOM 208 CZ2 TRP A 17 3.967 -7.264 -1.863 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.151 -5.070 -2.452 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.100 -6.225 -1.660 1.00 0.00 C ATOM 0 H TRP A 17 7.140 -4.028 -7.756 1.00 0.00 H new ATOM 0 HA TRP A 17 5.885 -6.418 -7.387 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.565 -5.397 -5.877 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.382 -4.221 -5.338 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.383 -7.886 -4.882 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.068 -8.917 -2.908 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.112 -4.044 -4.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.926 -8.154 -1.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.452 -4.268 -2.266 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.362 -6.296 -0.874 1.00 0.00 H new ATOM 221 N CYS A 18 3.866 -3.926 -6.593 1.00 0.00 N ATOM 222 CA CYS A 18 2.468 -3.580 -6.363 1.00 0.00 C ATOM 223 C CYS A 18 1.621 -3.895 -7.592 1.00 0.00 C ATOM 224 O CYS A 18 0.772 -4.787 -7.563 1.00 0.00 O ATOM 225 CB CYS A 18 2.339 -2.099 -6.005 1.00 0.00 C ATOM 226 SG CYS A 18 3.580 -1.512 -4.829 1.00 0.00 S ATOM 0 H CYS A 18 4.503 -3.130 -6.590 1.00 0.00 H new ATOM 0 HA CYS A 18 2.103 -4.180 -5.529 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.411 -1.508 -6.918 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.347 -1.922 -5.589 1.00 0.00 H new ATOM 0 HG CYS A 18 4.766 -1.661 -5.339 1.00 0.00 H new ATOM 232 N LYS A 19 1.856 -3.156 -8.671 1.00 0.00 N ATOM 233 CA LYS A 19 1.115 -3.355 -9.911 1.00 0.00 C ATOM 234 C LYS A 19 0.978 -4.840 -10.231 1.00 0.00 C ATOM 235 O LYS A 19 0.061 -5.248 -10.941 1.00 0.00 O ATOM 236 CB LYS A 19 1.814 -2.636 -11.067 1.00 0.00 C ATOM 237 CG LYS A 19 1.901 -1.131 -10.883 1.00 0.00 C ATOM 238 CD LYS A 19 2.879 -0.505 -11.864 1.00 0.00 C ATOM 239 CE LYS A 19 2.194 -0.124 -13.168 1.00 0.00 C ATOM 240 NZ LYS A 19 3.139 -0.149 -14.318 1.00 0.00 N ATOM 0 H LYS A 19 2.554 -2.413 -8.712 1.00 0.00 H new ATOM 0 HA LYS A 19 0.117 -2.936 -9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.821 -3.039 -11.179 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.280 -2.850 -11.993 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.914 -0.689 -11.020 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.213 -0.906 -9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.329 0.381 -11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.689 -1.205 -12.068 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.370 -0.811 -13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.762 0.873 -13.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.634 0.116 -15.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.912 0.525 -14.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.532 -1.106 -14.424 1.00 0.00 H new ATOM 254 N GLU A 20 1.896 -5.642 -9.700 1.00 0.00 N ATOM 255 CA GLU A 20 1.875 -7.082 -9.929 1.00 0.00 C ATOM 256 C GLU A 20 0.749 -7.743 -9.139 1.00 0.00 C ATOM 257 O GLU A 20 -0.120 -8.403 -9.709 1.00 0.00 O ATOM 258 CB GLU A 20 3.219 -7.702 -9.539 1.00 0.00 C ATOM 259 CG GLU A 20 3.543 -8.979 -10.298 1.00 0.00 C ATOM 260 CD GLU A 20 4.939 -9.493 -10.004 1.00 0.00 C ATOM 261 OE1 GLU A 20 5.913 -8.784 -10.331 1.00 0.00 O ATOM 262 OE2 GLU A 20 5.056 -10.605 -9.448 1.00 0.00 O ATOM 0 H GLU A 20 2.662 -5.319 -9.109 1.00 0.00 H new ATOM 0 HA GLU A 20 1.698 -7.253 -10.991 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.011 -6.974 -9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.215 -7.916 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.815 -9.747 -10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.445 -8.796 -11.368 1.00 0.00 H new ATOM 269 N VAL A 21 0.772 -7.561 -7.822 1.00 0.00 N ATOM 270 CA VAL A 21 -0.246 -8.139 -6.953 1.00 0.00 C ATOM 271 C VAL A 21 -1.633 -7.614 -7.307 1.00 0.00 C ATOM 272 O VAL A 21 -2.642 -8.270 -7.049 1.00 0.00 O ATOM 273 CB VAL A 21 0.043 -7.834 -5.471 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.479 -8.195 -5.122 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.237 -6.371 -5.164 1.00 0.00 C ATOM 0 H VAL A 21 1.484 -7.018 -7.334 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.219 -9.218 -7.107 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.619 -8.444 -4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.665 -7.973 -4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.641 -9.258 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.161 -7.614 -5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.028 -6.173 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.399 -5.741 -5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.283 -6.149 -5.373 1.00 0.00 H new ATOM 285 N THR A 22 -1.676 -6.425 -7.900 1.00 0.00 N ATOM 286 CA THR A 22 -2.939 -5.811 -8.290 1.00 0.00 C ATOM 287 C THR A 22 -3.093 -5.785 -9.806 1.00 0.00 C ATOM 288 O THR A 22 -3.835 -4.967 -10.352 1.00 0.00 O ATOM 289 CB THR A 22 -3.055 -4.373 -7.749 1.00 0.00 C ATOM 290 OG1 THR A 22 -2.018 -3.556 -8.303 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.963 -4.357 -6.230 1.00 0.00 C ATOM 0 H THR A 22 -0.850 -5.868 -8.121 1.00 0.00 H new ATOM 0 HA THR A 22 -3.733 -6.420 -7.857 1.00 0.00 H new ATOM 0 HB THR A 22 -4.026 -3.975 -8.043 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.145 -3.899 -8.020 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.047 -3.331 -5.871 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.771 -4.956 -5.810 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.004 -4.772 -5.919 1.00 0.00 H new ATOM 387 N VAL A 28 -7.036 -0.027 -10.213 1.00 0.00 N ATOM 388 CA VAL A 28 -5.793 -0.059 -9.452 1.00 0.00 C ATOM 389 C VAL A 28 -4.608 0.357 -10.317 1.00 0.00 C ATOM 390 O VAL A 28 -3.965 -0.479 -10.952 1.00 0.00 O ATOM 391 CB VAL A 28 -5.525 -1.461 -8.874 1.00 0.00 C ATOM 392 CG1 VAL A 28 -4.232 -1.470 -8.072 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.697 -1.916 -8.016 1.00 0.00 C ATOM 0 HA VAL A 28 -5.906 0.649 -8.631 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.416 -2.162 -9.702 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.059 -2.469 -7.671 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.401 -1.190 -8.719 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.309 -0.758 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.491 -2.909 -7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.839 -1.215 -7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.601 -1.951 -8.624 1.00 0.00 H new ATOM 403 N LYS A 29 -4.325 1.654 -10.337 1.00 0.00 N ATOM 404 CA LYS A 29 -3.216 2.183 -11.123 1.00 0.00 C ATOM 405 C LYS A 29 -2.224 2.925 -10.233 1.00 0.00 C ATOM 406 O LYS A 29 -2.512 4.018 -9.743 1.00 0.00 O ATOM 407 CB LYS A 29 -3.738 3.120 -12.214 1.00 0.00 C ATOM 408 CG LYS A 29 -2.647 3.927 -12.896 1.00 0.00 C ATOM 409 CD LYS A 29 -1.927 3.109 -13.954 1.00 0.00 C ATOM 410 CE LYS A 29 -2.644 3.174 -15.294 1.00 0.00 C ATOM 411 NZ LYS A 29 -2.294 4.408 -16.051 1.00 0.00 N ATOM 0 H LYS A 29 -4.848 2.359 -9.818 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.701 1.343 -11.590 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.266 2.532 -12.964 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.465 3.804 -11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.083 4.814 -13.355 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.930 4.273 -12.152 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.907 3.477 -14.068 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.857 2.071 -13.628 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.384 2.298 -15.888 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.721 3.141 -15.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.803 4.415 -16.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.565 5.245 -15.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.269 4.427 -16.229 1.00 0.00 H new ATOM 425 N ILE A 30 -1.055 2.326 -10.029 1.00 0.00 N ATOM 426 CA ILE A 30 -0.021 2.932 -9.200 1.00 0.00 C ATOM 427 C ILE A 30 0.951 3.750 -10.045 1.00 0.00 C ATOM 428 O ILE A 30 2.081 3.327 -10.296 1.00 0.00 O ATOM 429 CB ILE A 30 0.768 1.867 -8.416 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.187 0.988 -7.606 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.790 2.530 -7.504 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.704 -0.209 -8.372 1.00 0.00 C ATOM 0 H ILE A 30 -0.801 1.422 -10.427 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.527 3.590 -8.494 1.00 0.00 H new ATOM 0 HB ILE A 30 1.301 1.234 -9.126 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.325 0.641 -6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.033 1.592 -7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.340 1.764 -6.956 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.485 3.117 -8.103 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.278 3.184 -6.798 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.375 -0.786 -7.736 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.245 0.130 -9.256 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.134 -0.835 -8.678 1.00 0.00 H new ATOM 444 N THR A 31 0.506 4.924 -10.480 1.00 0.00 N ATOM 445 CA THR A 31 1.336 5.802 -11.295 1.00 0.00 C ATOM 446 C THR A 31 2.331 6.573 -10.436 1.00 0.00 C ATOM 447 O THR A 31 3.418 6.924 -10.892 1.00 0.00 O ATOM 448 CB THR A 31 0.480 6.804 -12.093 1.00 0.00 C ATOM 449 OG1 THR A 31 -0.595 7.287 -11.278 1.00 0.00 O ATOM 450 CG2 THR A 31 -0.082 6.156 -13.349 1.00 0.00 C ATOM 0 H THR A 31 -0.425 5.289 -10.281 1.00 0.00 H new ATOM 0 HA THR A 31 1.880 5.164 -11.992 1.00 0.00 H new ATOM 0 HB THR A 31 1.117 7.638 -12.387 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.134 7.925 -11.791 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.683 6.883 -13.896 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.738 5.815 -13.981 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.705 5.305 -13.072 1.00 0.00 H new ATOM 458 N ASN A 32 1.951 6.833 -9.189 1.00 0.00 N ATOM 459 CA ASN A 32 2.812 7.563 -8.264 1.00 0.00 C ATOM 460 C ASN A 32 2.751 6.952 -6.867 1.00 0.00 C ATOM 461 O ASN A 32 2.037 5.977 -6.635 1.00 0.00 O ATOM 462 CB ASN A 32 2.401 9.035 -8.208 1.00 0.00 C ATOM 463 CG ASN A 32 2.038 9.587 -9.573 1.00 0.00 C ATOM 464 OD1 ASN A 32 2.808 9.471 -10.526 1.00 0.00 O ATOM 465 ND2 ASN A 32 0.860 10.193 -9.672 1.00 0.00 N ATOM 0 H ASN A 32 1.054 6.550 -8.796 1.00 0.00 H new ATOM 0 HA ASN A 32 3.837 7.492 -8.627 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.550 9.146 -7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.218 9.622 -7.788 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.562 10.585 -10.565 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.254 10.266 -8.855 1.00 0.00 H new ATOM 472 N PHE A 33 3.505 7.534 -5.940 1.00 0.00 N ATOM 473 CA PHE A 33 3.538 7.047 -4.566 1.00 0.00 C ATOM 474 C PHE A 33 3.042 8.117 -3.598 1.00 0.00 C ATOM 475 O PHE A 33 3.367 8.097 -2.411 1.00 0.00 O ATOM 476 CB PHE A 33 4.958 6.620 -4.187 1.00 0.00 C ATOM 477 CG PHE A 33 5.362 5.297 -4.772 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.654 4.145 -4.467 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.448 5.205 -5.627 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.025 2.926 -5.003 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.823 3.989 -6.166 1.00 0.00 C ATOM 482 CZ PHE A 33 6.109 2.848 -5.855 1.00 0.00 C ATOM 0 H PHE A 33 4.101 8.343 -6.115 1.00 0.00 H new ATOM 0 HA PHE A 33 2.876 6.184 -4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.660 7.385 -4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.035 6.567 -3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.804 4.200 -3.804 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.008 6.094 -5.875 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.467 2.035 -4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.673 3.931 -6.830 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.398 1.897 -6.277 1.00 0.00 H new ATOM 492 N THR A 34 2.251 9.053 -4.115 1.00 0.00 N ATOM 493 CA THR A 34 1.710 10.133 -3.299 1.00 0.00 C ATOM 494 C THR A 34 0.188 10.076 -3.250 1.00 0.00 C ATOM 495 O THR A 34 -0.398 9.703 -2.232 1.00 0.00 O ATOM 496 CB THR A 34 2.144 11.511 -3.832 1.00 0.00 C ATOM 497 OG1 THR A 34 1.890 11.595 -5.239 1.00 0.00 O ATOM 498 CG2 THR A 34 3.622 11.755 -3.563 1.00 0.00 C ATOM 0 H THR A 34 1.971 9.084 -5.095 1.00 0.00 H new ATOM 0 HA THR A 34 2.108 9.999 -2.293 1.00 0.00 H new ATOM 0 HB THR A 34 1.565 12.275 -3.313 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.167 12.475 -5.570 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.905 12.734 -3.948 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.807 11.720 -2.489 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.214 10.985 -4.058 1.00 0.00 H new ATOM 506 N THR A 35 -0.450 10.447 -4.355 1.00 0.00 N ATOM 507 CA THR A 35 -1.905 10.439 -4.438 1.00 0.00 C ATOM 508 C THR A 35 -2.431 9.035 -4.716 1.00 0.00 C ATOM 509 O THR A 35 -3.443 8.619 -4.151 1.00 0.00 O ATOM 510 CB THR A 35 -2.410 11.391 -5.538 1.00 0.00 C ATOM 511 OG1 THR A 35 -2.012 10.908 -6.826 1.00 0.00 O ATOM 512 CG2 THR A 35 -1.868 12.797 -5.328 1.00 0.00 C ATOM 0 H THR A 35 0.019 10.757 -5.206 1.00 0.00 H new ATOM 0 HA THR A 35 -2.279 10.780 -3.473 1.00 0.00 H new ATOM 0 HB THR A 35 -3.498 11.426 -5.485 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.339 11.518 -7.520 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.238 13.451 -6.117 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.198 13.173 -4.360 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.779 12.775 -5.356 1.00 0.00 H new ATOM 520 N SER A 36 -1.739 8.310 -5.589 1.00 0.00 N ATOM 521 CA SER A 36 -2.140 6.954 -5.943 1.00 0.00 C ATOM 522 C SER A 36 -2.493 6.148 -4.697 1.00 0.00 C ATOM 523 O SER A 36 -3.284 5.207 -4.757 1.00 0.00 O ATOM 524 CB SER A 36 -1.020 6.255 -6.716 1.00 0.00 C ATOM 525 OG SER A 36 -1.204 4.850 -6.722 1.00 0.00 O ATOM 0 H SER A 36 -0.898 8.639 -6.064 1.00 0.00 H new ATOM 0 HA SER A 36 -3.025 7.017 -6.576 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.995 6.626 -7.741 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.057 6.497 -6.266 1.00 0.00 H new ATOM 0 HG SER A 36 -0.432 4.417 -6.301 1.00 0.00 H new ATOM 531 N TRP A 37 -1.901 6.525 -3.570 1.00 0.00 N ATOM 532 CA TRP A 37 -2.152 5.838 -2.308 1.00 0.00 C ATOM 533 C TRP A 37 -2.946 6.724 -1.354 1.00 0.00 C ATOM 534 O TRP A 37 -3.583 6.234 -0.422 1.00 0.00 O ATOM 535 CB TRP A 37 -0.832 5.423 -1.657 1.00 0.00 C ATOM 536 CG TRP A 37 0.089 4.700 -2.593 1.00 0.00 C ATOM 537 CD1 TRP A 37 0.892 5.257 -3.546 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.300 3.285 -2.665 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.590 4.275 -4.207 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.245 3.056 -3.685 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.215 2.190 -1.966 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.681 1.778 -4.021 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.219 0.922 -2.302 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.160 0.724 -3.321 1.00 0.00 C ATOM 0 H TRP A 37 -1.244 7.302 -3.504 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.740 4.945 -2.521 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.328 6.311 -1.276 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.043 4.784 -0.800 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.968 6.315 -3.751 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.257 4.429 -4.963 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.939 2.332 -1.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.405 1.623 -4.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.174 0.068 -1.770 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.480 -0.280 -3.559 1.00 0.00 H new ATOM 555 N ARG A 38 -2.903 8.031 -1.594 1.00 0.00 N ATOM 556 CA ARG A 38 -3.618 8.985 -0.755 1.00 0.00 C ATOM 557 C ARG A 38 -4.989 8.443 -0.362 1.00 0.00 C ATOM 558 O ARG A 38 -5.394 8.533 0.796 1.00 0.00 O ATOM 559 CB ARG A 38 -3.776 10.320 -1.485 1.00 0.00 C ATOM 560 CG ARG A 38 -4.923 11.169 -0.961 1.00 0.00 C ATOM 561 CD ARG A 38 -4.695 12.647 -1.238 1.00 0.00 C ATOM 562 NE ARG A 38 -5.646 13.492 -0.522 1.00 0.00 N ATOM 563 CZ ARG A 38 -6.935 13.575 -0.834 1.00 0.00 C ATOM 564 NH1 ARG A 38 -7.423 12.868 -1.844 1.00 0.00 N ATOM 565 NH2 ARG A 38 -7.738 14.366 -0.134 1.00 0.00 N ATOM 0 H ARG A 38 -2.381 8.453 -2.362 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.034 9.141 0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.848 10.885 -1.397 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.933 10.128 -2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.855 10.850 -1.427 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.033 11.012 0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.680 12.918 -0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.780 12.832 -2.309 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.302 14.049 0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.809 12.258 -2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.413 12.934 -2.081 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.366 14.911 0.644 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.727 14.429 -0.374 1.00 0.00 H new ATOM 579 N ASN A 39 -5.699 7.881 -1.335 1.00 0.00 N ATOM 580 CA ASN A 39 -7.025 7.326 -1.091 1.00 0.00 C ATOM 581 C ASN A 39 -6.939 6.073 -0.225 1.00 0.00 C ATOM 582 O ASN A 39 -7.614 5.965 0.798 1.00 0.00 O ATOM 583 CB ASN A 39 -7.714 6.996 -2.417 1.00 0.00 C ATOM 584 CG ASN A 39 -6.730 6.581 -3.493 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.577 6.260 -3.205 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.181 6.588 -4.742 1.00 0.00 N ATOM 0 H ASN A 39 -5.378 7.798 -2.300 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.613 8.074 -0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.435 6.194 -2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.275 7.866 -2.758 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.564 6.320 -5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.145 6.861 -4.935 1.00 0.00 H new ATOM 593 N GLY A 40 -6.102 5.128 -0.642 1.00 0.00 N ATOM 594 CA GLY A 40 -5.943 3.895 0.108 1.00 0.00 C ATOM 595 C GLY A 40 -6.462 2.687 -0.646 1.00 0.00 C ATOM 596 O GLY A 40 -6.928 1.721 -0.040 1.00 0.00 O ATOM 0 H GLY A 40 -5.532 5.194 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.888 3.748 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.470 3.981 1.058 1.00 0.00 H new ATOM 600 N LEU A 41 -6.383 2.739 -1.971 1.00 0.00 N ATOM 601 CA LEU A 41 -6.850 1.641 -2.810 1.00 0.00 C ATOM 602 C LEU A 41 -5.798 0.540 -2.901 1.00 0.00 C ATOM 603 O LEU A 41 -6.004 -0.571 -2.412 1.00 0.00 O ATOM 604 CB LEU A 41 -7.192 2.152 -4.210 1.00 0.00 C ATOM 605 CG LEU A 41 -8.507 2.923 -4.340 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.767 3.293 -5.792 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.662 2.104 -3.782 1.00 0.00 C ATOM 0 H LEU A 41 -6.000 3.530 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.748 1.224 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.381 2.797 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.225 1.299 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.426 3.843 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.706 3.841 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.953 3.918 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.828 2.386 -6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.590 2.668 -3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.744 1.168 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.480 1.889 -2.729 1.00 0.00 H new ATOM 619 N SER A 42 -4.670 0.857 -3.528 1.00 0.00 N ATOM 620 CA SER A 42 -3.586 -0.105 -3.685 1.00 0.00 C ATOM 621 C SER A 42 -3.301 -0.822 -2.369 1.00 0.00 C ATOM 622 O SER A 42 -3.045 -2.026 -2.346 1.00 0.00 O ATOM 623 CB SER A 42 -2.320 0.596 -4.181 1.00 0.00 C ATOM 624 OG SER A 42 -2.541 1.221 -5.434 1.00 0.00 O ATOM 0 H SER A 42 -4.483 1.773 -3.936 1.00 0.00 H new ATOM 0 HA SER A 42 -3.895 -0.845 -4.423 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.003 1.340 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.510 -0.128 -4.270 1.00 0.00 H new ATOM 0 HG SER A 42 -2.090 2.091 -5.450 1.00 0.00 H new ATOM 630 N PHE A 43 -3.346 -0.072 -1.272 1.00 0.00 N ATOM 631 CA PHE A 43 -3.092 -0.634 0.049 1.00 0.00 C ATOM 632 C PHE A 43 -4.044 -1.790 0.341 1.00 0.00 C ATOM 633 O PHE A 43 -3.611 -2.903 0.641 1.00 0.00 O ATOM 634 CB PHE A 43 -3.240 0.447 1.123 1.00 0.00 C ATOM 635 CG PHE A 43 -2.029 1.324 1.262 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.773 0.768 1.451 1.00 0.00 C ATOM 637 CD2 PHE A 43 -2.145 2.703 1.202 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.343 1.573 1.580 1.00 0.00 C ATOM 639 CE2 PHE A 43 -1.032 3.513 1.330 1.00 0.00 C ATOM 640 CZ PHE A 43 0.214 2.947 1.518 1.00 0.00 C ATOM 0 H PHE A 43 -3.556 0.926 -1.272 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.071 -1.015 0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.103 1.068 0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.445 -0.030 2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.666 -0.306 1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.117 3.151 1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.316 1.128 1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.137 4.587 1.283 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.085 3.577 1.616 1.00 0.00 H new ATOM 650 N CYS A 44 -5.341 -1.518 0.251 1.00 0.00 N ATOM 651 CA CYS A 44 -6.355 -2.534 0.506 1.00 0.00 C ATOM 652 C CYS A 44 -6.288 -3.644 -0.539 1.00 0.00 C ATOM 653 O CYS A 44 -6.488 -4.817 -0.226 1.00 0.00 O ATOM 654 CB CYS A 44 -7.749 -1.904 0.510 1.00 0.00 C ATOM 655 SG CYS A 44 -8.145 -0.999 2.024 1.00 0.00 S ATOM 0 H CYS A 44 -5.715 -0.602 0.003 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.159 -2.970 1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.832 -1.225 -0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.491 -2.689 0.364 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.562 0.163 2.000 1.00 0.00 H new ATOM 661 N ALA A 45 -6.008 -3.263 -1.781 1.00 0.00 N ATOM 662 CA ALA A 45 -5.914 -4.226 -2.872 1.00 0.00 C ATOM 663 C ALA A 45 -4.811 -5.246 -2.611 1.00 0.00 C ATOM 664 O ALA A 45 -5.018 -6.450 -2.766 1.00 0.00 O ATOM 665 CB ALA A 45 -5.670 -3.507 -4.190 1.00 0.00 C ATOM 0 H ALA A 45 -5.842 -2.295 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.861 -4.762 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.602 -4.238 -4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.495 -2.823 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.738 -2.945 -4.131 1.00 0.00 H new ATOM 671 N ILE A 46 -3.641 -4.757 -2.215 1.00 0.00 N ATOM 672 CA ILE A 46 -2.506 -5.627 -1.932 1.00 0.00 C ATOM 673 C ILE A 46 -2.865 -6.676 -0.886 1.00 0.00 C ATOM 674 O ILE A 46 -2.788 -7.878 -1.144 1.00 0.00 O ATOM 675 CB ILE A 46 -1.289 -4.822 -1.439 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.710 -3.981 -2.579 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.230 -5.757 -0.874 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.169 -2.845 -2.106 1.00 0.00 C ATOM 0 H ILE A 46 -3.454 -3.763 -2.083 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.248 -6.124 -2.867 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.614 -4.150 -0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.131 -4.627 -3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.529 -3.573 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.624 -5.174 -0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.648 -6.317 -0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.094 -6.451 -1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.544 -2.292 -2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.411 -2.176 -1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.009 -3.247 -1.539 1.00 0.00 H new ATOM 690 N LEU A 47 -3.261 -6.215 0.295 1.00 0.00 N ATOM 691 CA LEU A 47 -3.634 -7.114 1.381 1.00 0.00 C ATOM 692 C LEU A 47 -4.698 -8.107 0.925 1.00 0.00 C ATOM 693 O LEU A 47 -4.753 -9.239 1.406 1.00 0.00 O ATOM 694 CB LEU A 47 -4.149 -6.313 2.579 1.00 0.00 C ATOM 695 CG LEU A 47 -4.430 -7.113 3.851 1.00 0.00 C ATOM 696 CD1 LEU A 47 -3.155 -7.765 4.364 1.00 0.00 C ATOM 697 CD2 LEU A 47 -5.041 -6.218 4.920 1.00 0.00 C ATOM 0 H LEU A 47 -3.332 -5.224 0.525 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.746 -7.672 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.418 -5.539 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.067 -5.805 2.283 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.145 -7.900 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.374 -8.330 5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.759 -8.438 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.417 -6.995 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.234 -6.804 5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.349 -5.409 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.977 -5.799 4.552 1.00 0.00 H new ATOM 709 N HIS A 48 -5.541 -7.676 -0.008 1.00 0.00 N ATOM 710 CA HIS A 48 -6.602 -8.528 -0.532 1.00 0.00 C ATOM 711 C HIS A 48 -6.035 -9.584 -1.477 1.00 0.00 C ATOM 712 O HIS A 48 -6.535 -10.707 -1.542 1.00 0.00 O ATOM 713 CB HIS A 48 -7.649 -7.686 -1.261 1.00 0.00 C ATOM 714 CG HIS A 48 -8.842 -8.471 -1.713 1.00 0.00 C ATOM 715 ND1 HIS A 48 -8.762 -9.503 -2.625 1.00 0.00 N ATOM 716 CD2 HIS A 48 -10.148 -8.372 -1.372 1.00 0.00 C ATOM 717 CE1 HIS A 48 -9.968 -10.003 -2.826 1.00 0.00 C ATOM 718 NE2 HIS A 48 -10.827 -9.335 -2.078 1.00 0.00 N ATOM 0 H HIS A 48 -5.510 -6.742 -0.416 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.075 -9.034 0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.981 -6.884 -0.602 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.185 -7.215 -2.128 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.576 -7.667 -0.675 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.210 -10.820 -3.490 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.831 -9.506 -2.032 1.00 0.00 H new ATOM 727 N HIS A 49 -4.988 -9.215 -2.208 1.00 0.00 N ATOM 728 CA HIS A 49 -4.352 -10.131 -3.149 1.00 0.00 C ATOM 729 C HIS A 49 -3.959 -11.433 -2.459 1.00 0.00 C ATOM 730 O HIS A 49 -4.233 -12.523 -2.963 1.00 0.00 O ATOM 731 CB HIS A 49 -3.118 -9.478 -3.773 1.00 0.00 C ATOM 732 CG HIS A 49 -2.629 -10.177 -5.004 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.454 -10.509 -6.059 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.392 -10.606 -5.347 1.00 0.00 C ATOM 735 CE1 HIS A 49 -2.745 -11.113 -6.996 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.491 -11.184 -6.588 1.00 0.00 N ATOM 0 H HIS A 49 -4.562 -8.289 -2.167 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.070 -10.361 -3.936 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.351 -8.443 -4.021 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.316 -9.456 -3.035 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.494 -10.511 -4.754 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.126 -11.485 -7.936 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.721 -11.601 -7.111 1.00 0.00 H new ATOM 745 N PHE A 50 -3.315 -11.314 -1.302 1.00 0.00 N ATOM 746 CA PHE A 50 -2.883 -12.482 -0.544 1.00 0.00 C ATOM 747 C PHE A 50 -4.060 -13.121 0.188 1.00 0.00 C ATOM 748 O PHE A 50 -4.218 -14.342 0.183 1.00 0.00 O ATOM 749 CB PHE A 50 -1.796 -12.091 0.460 1.00 0.00 C ATOM 750 CG PHE A 50 -0.628 -11.385 -0.167 1.00 0.00 C ATOM 751 CD1 PHE A 50 0.423 -12.104 -0.711 1.00 0.00 C ATOM 752 CD2 PHE A 50 -0.581 -10.000 -0.211 1.00 0.00 C ATOM 753 CE1 PHE A 50 1.499 -11.458 -1.289 1.00 0.00 C ATOM 754 CE2 PHE A 50 0.493 -9.348 -0.787 1.00 0.00 C ATOM 755 CZ PHE A 50 1.535 -10.077 -1.326 1.00 0.00 C ATOM 0 H PHE A 50 -3.081 -10.420 -0.869 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.476 -13.209 -1.246 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.232 -11.447 1.224 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.439 -12.988 0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.401 -13.183 -0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.392 -9.424 0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.311 -12.032 -1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.517 -8.269 -0.816 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.376 -9.569 -1.775 1.00 0.00 H new ATOM 765 N ARG A 51 -4.882 -12.288 0.815 1.00 0.00 N ATOM 766 CA ARG A 51 -6.043 -12.771 1.553 1.00 0.00 C ATOM 767 C ARG A 51 -7.286 -11.957 1.203 1.00 0.00 C ATOM 768 O ARG A 51 -7.527 -10.881 1.749 1.00 0.00 O ATOM 769 CB ARG A 51 -5.783 -12.702 3.059 1.00 0.00 C ATOM 770 CG ARG A 51 -5.226 -13.991 3.640 1.00 0.00 C ATOM 771 CD ARG A 51 -6.041 -15.198 3.201 1.00 0.00 C ATOM 772 NE ARG A 51 -5.984 -16.282 4.177 1.00 0.00 N ATOM 773 CZ ARG A 51 -6.552 -17.468 3.993 1.00 0.00 C ATOM 774 NH1 ARG A 51 -7.217 -17.722 2.874 1.00 0.00 N ATOM 775 NH2 ARG A 51 -6.456 -18.404 4.928 1.00 0.00 N ATOM 0 H ARG A 51 -4.766 -11.275 0.827 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.216 -13.809 1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.084 -11.890 3.262 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.714 -12.456 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.190 -14.116 3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.223 -13.929 4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.079 -14.900 3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.670 -15.556 2.240 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.480 -16.119 5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.293 -17.005 2.152 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.652 -18.634 2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.945 -18.213 5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.893 -19.314 4.785 1.00 0.00 H new ATOM 789 N PRO A 52 -8.095 -12.483 0.271 1.00 0.00 N ATOM 790 CA PRO A 52 -9.326 -11.823 -0.173 1.00 0.00 C ATOM 791 C PRO A 52 -10.405 -11.825 0.905 1.00 0.00 C ATOM 792 O PRO A 52 -11.525 -11.368 0.675 1.00 0.00 O ATOM 793 CB PRO A 52 -9.767 -12.664 -1.373 1.00 0.00 C ATOM 794 CG PRO A 52 -9.171 -14.008 -1.133 1.00 0.00 C ATOM 795 CD PRO A 52 -7.869 -13.763 -0.422 1.00 0.00 C ATOM 0 HA PRO A 52 -9.162 -10.772 -0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.854 -12.719 -1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.411 -12.235 -2.310 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.835 -14.627 -0.529 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.009 -14.536 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.637 -14.564 0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.035 -13.700 -1.121 1.00 0.00 H new ATOM 803 N ASP A 53 -10.061 -12.341 2.079 1.00 0.00 N ATOM 804 CA ASP A 53 -11.000 -12.401 3.193 1.00 0.00 C ATOM 805 C ASP A 53 -10.463 -11.636 4.399 1.00 0.00 C ATOM 806 O ASP A 53 -10.783 -11.958 5.544 1.00 0.00 O ATOM 807 CB ASP A 53 -11.277 -13.855 3.577 1.00 0.00 C ATOM 808 CG ASP A 53 -12.268 -14.522 2.644 1.00 0.00 C ATOM 809 OD1 ASP A 53 -13.295 -13.890 2.318 1.00 0.00 O ATOM 810 OD2 ASP A 53 -12.016 -15.676 2.238 1.00 0.00 O ATOM 0 H ASP A 53 -9.138 -12.724 2.284 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.932 -11.934 2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.342 -14.414 3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.661 -13.892 4.596 1.00 0.00 H new ATOM 815 N LEU A 54 -9.645 -10.624 4.135 1.00 0.00 N ATOM 816 CA LEU A 54 -9.061 -9.814 5.198 1.00 0.00 C ATOM 817 C LEU A 54 -9.659 -8.410 5.204 1.00 0.00 C ATOM 818 O LEU A 54 -9.879 -7.823 6.264 1.00 0.00 O ATOM 819 CB LEU A 54 -7.543 -9.733 5.030 1.00 0.00 C ATOM 820 CG LEU A 54 -6.731 -10.821 5.734 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.258 -10.703 5.376 1.00 0.00 C ATOM 822 CD2 LEU A 54 -6.924 -10.739 7.242 1.00 0.00 C ATOM 0 H LEU A 54 -9.371 -10.344 3.193 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.290 -10.291 6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.313 -9.768 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.208 -8.763 5.397 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.090 -11.793 5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.696 -11.485 5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.136 -10.812 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.885 -9.727 5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.339 -11.521 7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.593 -9.764 7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.979 -10.874 7.482 1.00 0.00 H new ATOM 834 N ILE A 55 -9.922 -7.880 4.014 1.00 0.00 N ATOM 835 CA ILE A 55 -10.497 -6.547 3.883 1.00 0.00 C ATOM 836 C ILE A 55 -11.811 -6.590 3.110 1.00 0.00 C ATOM 837 O ILE A 55 -12.284 -7.660 2.728 1.00 0.00 O ATOM 838 CB ILE A 55 -9.528 -5.583 3.174 1.00 0.00 C ATOM 839 CG1 ILE A 55 -8.079 -6.005 3.424 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.759 -4.156 3.648 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.541 -6.965 2.386 1.00 0.00 C ATOM 0 H ILE A 55 -9.746 -8.353 3.128 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.684 -6.182 4.893 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.718 -5.624 2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.449 -5.116 3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.009 -6.470 4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.066 -3.487 3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.783 -3.859 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.593 -4.099 4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.509 -7.221 2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.147 -7.871 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.578 -6.496 1.403 1.00 0.00 H new ATOM 853 N ASP A 56 -12.394 -5.418 2.881 1.00 0.00 N ATOM 854 CA ASP A 56 -13.653 -5.321 2.151 1.00 0.00 C ATOM 855 C ASP A 56 -13.454 -4.603 0.820 1.00 0.00 C ATOM 856 O ASP A 56 -14.365 -3.946 0.315 1.00 0.00 O ATOM 857 CB ASP A 56 -14.699 -4.585 2.990 1.00 0.00 C ATOM 858 CG ASP A 56 -14.912 -5.231 4.345 1.00 0.00 C ATOM 859 OD1 ASP A 56 -15.513 -6.325 4.393 1.00 0.00 O ATOM 860 OD2 ASP A 56 -14.477 -4.643 5.357 1.00 0.00 O ATOM 0 H ASP A 56 -12.015 -4.523 3.190 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.007 -6.332 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.387 -3.550 3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.645 -4.562 2.449 1.00 0.00 H new ATOM 865 N TYR A 57 -12.258 -4.730 0.257 1.00 0.00 N ATOM 866 CA TYR A 57 -11.938 -4.091 -1.013 1.00 0.00 C ATOM 867 C TYR A 57 -12.952 -4.475 -2.087 1.00 0.00 C ATOM 868 O TYR A 57 -13.173 -3.732 -3.044 1.00 0.00 O ATOM 869 CB TYR A 57 -10.529 -4.480 -1.464 1.00 0.00 C ATOM 870 CG TYR A 57 -10.058 -3.734 -2.692 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.549 -4.051 -3.953 1.00 0.00 C ATOM 872 CD2 TYR A 57 -9.123 -2.711 -2.591 1.00 0.00 C ATOM 873 CE1 TYR A 57 -10.121 -3.372 -5.077 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.690 -2.026 -3.710 1.00 0.00 C ATOM 875 CZ TYR A 57 -9.192 -2.361 -4.951 1.00 0.00 C ATOM 876 OH TYR A 57 -8.764 -1.681 -6.068 1.00 0.00 O ATOM 0 H TYR A 57 -11.493 -5.271 0.661 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.980 -3.012 -0.868 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.831 -4.295 -0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.505 -5.550 -1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.278 -4.842 -4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.728 -2.447 -1.621 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.512 -3.632 -6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.963 -1.233 -3.614 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.406 -0.808 -5.803 1.00 0.00 H new ATOM 886 N LYS A 58 -13.567 -5.640 -1.920 1.00 0.00 N ATOM 887 CA LYS A 58 -14.560 -6.125 -2.872 1.00 0.00 C ATOM 888 C LYS A 58 -15.753 -5.177 -2.944 1.00 0.00 C ATOM 889 O LYS A 58 -16.503 -5.181 -3.920 1.00 0.00 O ATOM 890 CB LYS A 58 -15.032 -7.527 -2.479 1.00 0.00 C ATOM 891 CG LYS A 58 -16.014 -7.536 -1.320 1.00 0.00 C ATOM 892 CD LYS A 58 -17.451 -7.452 -1.807 1.00 0.00 C ATOM 893 CE LYS A 58 -18.431 -7.408 -0.645 1.00 0.00 C ATOM 894 NZ LYS A 58 -19.785 -6.964 -1.078 1.00 0.00 N ATOM 0 H LYS A 58 -13.396 -6.267 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.093 -6.168 -3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.499 -8.000 -3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.165 -8.132 -2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.880 -8.446 -0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.804 -6.697 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.576 -6.562 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.673 -8.312 -2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.501 -8.397 -0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.055 -6.731 0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -20.202 -6.355 -0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.708 -6.431 -1.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.393 -7.795 -1.224 1.00 0.00 H new ATOM 908 N SER A 59 -15.921 -4.366 -1.904 1.00 0.00 N ATOM 909 CA SER A 59 -17.025 -3.414 -1.849 1.00 0.00 C ATOM 910 C SER A 59 -16.528 -2.029 -1.444 1.00 0.00 C ATOM 911 O SER A 59 -17.275 -1.230 -0.878 1.00 0.00 O ATOM 912 CB SER A 59 -18.091 -3.894 -0.863 1.00 0.00 C ATOM 913 OG SER A 59 -19.083 -2.902 -0.661 1.00 0.00 O ATOM 0 H SER A 59 -15.308 -4.349 -1.089 1.00 0.00 H new ATOM 0 HA SER A 59 -17.465 -3.347 -2.844 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.555 -4.805 -1.240 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.624 -4.144 0.089 1.00 0.00 H new ATOM 0 HG SER A 59 -18.665 -2.088 -0.311 1.00 0.00 H new ATOM 919 N LEU A 60 -15.263 -1.753 -1.738 1.00 0.00 N ATOM 920 CA LEU A 60 -14.664 -0.465 -1.405 1.00 0.00 C ATOM 921 C LEU A 60 -14.793 0.513 -2.568 1.00 0.00 C ATOM 922 O LEU A 60 -15.420 0.207 -3.582 1.00 0.00 O ATOM 923 CB LEU A 60 -13.190 -0.645 -1.037 1.00 0.00 C ATOM 924 CG LEU A 60 -12.906 -1.083 0.400 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.436 -0.886 0.738 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.786 -0.316 1.376 1.00 0.00 C ATOM 0 H LEU A 60 -14.632 -2.403 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.199 -0.055 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.755 -1.381 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.673 0.298 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.139 -2.144 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.253 -1.203 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.824 -1.481 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.176 0.167 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.570 -0.641 2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.585 0.751 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.835 -0.508 1.149 1.00 0.00 H new ATOM 938 N ASN A 61 -14.194 1.689 -2.416 1.00 0.00 N ATOM 939 CA ASN A 61 -14.240 2.711 -3.455 1.00 0.00 C ATOM 940 C ASN A 61 -13.307 3.871 -3.120 1.00 0.00 C ATOM 941 O ASN A 61 -12.923 4.078 -1.969 1.00 0.00 O ATOM 942 CB ASN A 61 -15.671 3.227 -3.629 1.00 0.00 C ATOM 943 CG ASN A 61 -16.490 2.355 -4.560 1.00 0.00 C ATOM 944 OD1 ASN A 61 -15.930 2.041 -5.722 1.00 0.00 O flip ATOM 945 ND2 ASN A 61 -17.614 1.967 -4.237 1.00 0.00 N flip ATOM 0 H ASN A 61 -13.671 1.958 -1.583 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.907 2.259 -4.389 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.159 3.273 -2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.643 4.244 -4.019 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -18.005 2.233 -3.333 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -18.153 1.380 -4.873 1.00 0.00 H new ATOM 952 N PRO A 62 -12.935 4.647 -4.148 1.00 0.00 N ATOM 953 CA PRO A 62 -12.043 5.799 -3.988 1.00 0.00 C ATOM 954 C PRO A 62 -12.709 6.947 -3.237 1.00 0.00 C ATOM 955 O PRO A 62 -12.118 8.012 -3.063 1.00 0.00 O ATOM 956 CB PRO A 62 -11.734 6.212 -5.430 1.00 0.00 C ATOM 957 CG PRO A 62 -12.897 5.723 -6.221 1.00 0.00 C ATOM 958 CD PRO A 62 -13.355 4.459 -5.547 1.00 0.00 C ATOM 0 HA PRO A 62 -11.158 5.551 -3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.622 7.293 -5.517 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.802 5.766 -5.779 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.695 6.465 -6.241 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.613 5.532 -7.256 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.434 4.328 -5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.893 3.577 -5.990 1.00 0.00 H new ATOM 966 N GLN A 63 -13.942 6.722 -2.794 1.00 0.00 N ATOM 967 CA GLN A 63 -14.688 7.739 -2.061 1.00 0.00 C ATOM 968 C GLN A 63 -14.249 7.789 -0.602 1.00 0.00 C ATOM 969 O GLN A 63 -14.649 8.681 0.147 1.00 0.00 O ATOM 970 CB GLN A 63 -16.189 7.460 -2.146 1.00 0.00 C ATOM 971 CG GLN A 63 -16.568 6.043 -1.746 1.00 0.00 C ATOM 972 CD GLN A 63 -16.064 5.671 -0.366 1.00 0.00 C ATOM 973 OE1 GLN A 63 -16.212 6.435 0.589 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.463 4.492 -0.252 1.00 0.00 N ATOM 0 H GLN A 63 -14.445 5.845 -2.930 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.480 8.707 -2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.718 8.164 -1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.527 7.644 -3.166 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.653 5.940 -1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.164 5.343 -2.477 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.362 3.890 -1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.103 4.189 0.653 1.00 0.00 H new ATOM 983 N ASP A 64 -13.425 6.826 -0.203 1.00 0.00 N ATOM 984 CA ASP A 64 -12.931 6.761 1.168 1.00 0.00 C ATOM 985 C ASP A 64 -11.416 6.932 1.208 1.00 0.00 C ATOM 986 O ASP A 64 -10.672 6.075 0.731 1.00 0.00 O ATOM 987 CB ASP A 64 -13.324 5.430 1.811 1.00 0.00 C ATOM 988 CG ASP A 64 -14.698 5.478 2.450 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.062 6.542 2.995 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.409 4.453 2.405 1.00 0.00 O ATOM 0 H ASP A 64 -13.085 6.080 -0.809 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.385 7.576 1.731 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.306 4.645 1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.585 5.162 2.566 1.00 0.00 H new ATOM 995 N ILE A 65 -10.967 8.045 1.778 1.00 0.00 N ATOM 996 CA ILE A 65 -9.541 8.328 1.881 1.00 0.00 C ATOM 997 C ILE A 65 -8.991 7.902 3.238 1.00 0.00 C ATOM 998 O ILE A 65 -7.962 7.231 3.321 1.00 0.00 O ATOM 999 CB ILE A 65 -9.247 9.825 1.668 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.828 10.296 0.333 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.749 10.084 1.721 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.375 11.682 -0.068 1.00 0.00 C ATOM 0 H ILE A 65 -11.570 8.765 2.175 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.049 7.754 1.096 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.722 10.391 2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.544 9.590 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.916 10.282 0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.558 11.146 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.362 9.781 2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.253 9.510 0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.826 11.950 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -9.683 12.400 0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.289 11.697 -0.162 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.686 8.295 4.301 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.271 7.952 5.656 1.00 0.00 C ATOM 1016 C LYS A 66 -9.585 6.492 5.968 1.00 0.00 C ATOM 1017 O LYS A 66 -8.726 5.751 6.443 1.00 0.00 O ATOM 1018 CB LYS A 66 -9.966 8.863 6.670 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.634 8.529 8.114 1.00 0.00 C ATOM 1020 CD LYS A 66 -10.435 9.385 9.082 1.00 0.00 C ATOM 1021 CE LYS A 66 -10.453 10.844 8.652 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.550 11.124 7.686 1.00 0.00 N ATOM 0 H LYS A 66 -10.539 8.851 4.250 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.193 8.096 5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.684 9.897 6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.045 8.794 6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.841 7.475 8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.569 8.681 8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.457 9.010 9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.007 9.304 10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.571 11.480 9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.496 11.101 8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.150 11.523 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.052 10.240 7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.216 11.805 8.104 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.822 6.087 5.696 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.248 4.715 5.948 1.00 0.00 C ATOM 1038 C GLU A 67 -10.385 3.726 5.171 1.00 0.00 C ATOM 1039 O GLU A 67 -9.658 2.925 5.758 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.719 4.536 5.565 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.255 3.141 5.843 1.00 0.00 C ATOM 1042 CD GLU A 67 -14.747 3.133 6.114 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -15.145 3.468 7.249 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -15.516 2.791 5.191 1.00 0.00 O ATOM 0 H GLU A 67 -11.545 6.688 5.302 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.130 4.515 7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.319 5.263 6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.839 4.758 4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.041 2.497 4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.731 2.719 6.701 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.472 3.787 3.846 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.700 2.896 2.987 1.00 0.00 C ATOM 1053 C ASN A 68 -8.332 2.604 3.596 1.00 0.00 C ATOM 1054 O ASN A 68 -7.974 1.448 3.818 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.531 3.513 1.597 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.739 3.282 0.711 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.768 2.780 1.164 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.619 3.648 -0.560 1.00 0.00 N ATOM 0 H ASN A 68 -11.069 4.444 3.344 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.246 1.957 2.896 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.357 4.584 1.697 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.647 3.089 1.120 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.399 3.517 -1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.747 4.060 -0.892 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.571 3.661 3.864 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.242 3.518 4.447 1.00 0.00 C ATOM 1067 C ASN A 69 -6.315 2.819 5.802 1.00 0.00 C ATOM 1068 O ASN A 69 -5.566 1.880 6.070 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.581 4.889 4.603 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.914 5.357 3.324 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.720 5.140 3.118 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.686 6.004 2.458 1.00 0.00 N ATOM 0 H ASN A 69 -7.852 4.625 3.687 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.641 2.906 3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.331 5.619 4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.840 4.843 5.401 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.294 6.344 1.580 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.671 6.161 2.671 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.224 3.284 6.653 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.397 2.704 7.979 1.00 0.00 C ATOM 1081 C LYS A 70 -7.587 1.193 7.892 1.00 0.00 C ATOM 1082 O LYS A 70 -6.987 0.436 8.656 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.598 3.340 8.683 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.958 2.669 9.998 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.823 3.569 10.865 1.00 0.00 C ATOM 1086 CE LYS A 70 -10.661 2.762 11.844 1.00 0.00 C ATOM 1087 NZ LYS A 70 -11.240 3.618 12.916 1.00 0.00 N ATOM 0 H LYS A 70 -7.852 4.061 6.447 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.495 2.906 8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.384 4.393 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.460 3.302 8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.487 1.737 9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.047 2.410 10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.189 4.265 11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.478 4.167 10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.465 2.260 11.306 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.045 1.984 12.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.804 3.030 13.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.472 4.077 13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.849 4.345 12.489 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.424 0.760 6.956 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.692 -0.661 6.766 1.00 0.00 C ATOM 1103 C LYS A 71 -7.393 -1.459 6.733 1.00 0.00 C ATOM 1104 O LYS A 71 -7.211 -2.399 7.507 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.473 -0.885 5.469 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.913 -0.405 5.536 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.791 -1.137 4.536 1.00 0.00 C ATOM 1108 CE LYS A 71 -13.225 -1.251 5.031 1.00 0.00 C ATOM 1109 NZ LYS A 71 -14.003 -0.009 4.766 1.00 0.00 N ATOM 0 H LYS A 71 -8.929 1.373 6.316 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.291 -1.008 7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.964 -0.369 4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.464 -1.948 5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.302 -0.557 6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.950 0.666 5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.775 -0.610 3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.387 -2.133 4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.712 -2.096 4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.225 -1.458 6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.155 0.503 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.476 0.597 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.923 -0.258 4.349 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.491 -1.078 5.834 1.00 0.00 N ATOM 1124 CA ALA A 72 -5.208 -1.756 5.704 1.00 0.00 C ATOM 1125 C ALA A 72 -4.432 -1.721 7.016 1.00 0.00 C ATOM 1126 O ALA A 72 -4.193 -2.758 7.636 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.389 -1.126 4.587 1.00 0.00 C ATOM 0 H ALA A 72 -6.626 -0.303 5.185 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.401 -2.799 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.433 -1.642 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.932 -1.209 3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.214 -0.074 4.813 1.00 0.00 H new ATOM 1133 N TYR A 73 -4.041 -0.522 7.434 1.00 0.00 N ATOM 1134 CA TYR A 73 -3.290 -0.352 8.672 1.00 0.00 C ATOM 1135 C TYR A 73 -3.736 -1.363 9.724 1.00 0.00 C ATOM 1136 O TYR A 73 -2.912 -2.030 10.349 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.465 1.070 9.208 1.00 0.00 C ATOM 1138 CG TYR A 73 -3.051 2.143 8.226 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.968 1.954 7.377 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.743 3.345 8.148 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.585 2.932 6.479 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.369 4.327 7.252 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.289 4.116 6.420 1.00 0.00 C ATOM 1144 OH TYR A 73 -1.913 5.093 5.527 1.00 0.00 O ATOM 0 H TYR A 73 -4.232 0.346 6.934 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.236 -0.524 8.454 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.510 1.221 9.479 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.880 1.180 10.121 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.416 1.027 7.419 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.588 3.514 8.799 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.739 2.770 5.827 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.919 5.255 7.203 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.528 5.092 4.764 1.00 0.00 H new ATOM 1154 N ASP A 74 -5.047 -1.471 9.912 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.605 -2.401 10.887 1.00 0.00 C ATOM 1156 C ASP A 74 -5.163 -3.830 10.589 1.00 0.00 C ATOM 1157 O ASP A 74 -4.753 -4.564 11.488 1.00 0.00 O ATOM 1158 CB ASP A 74 -7.132 -2.316 10.888 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.752 -3.057 12.056 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -7.260 -4.154 12.392 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -8.730 -2.539 12.635 1.00 0.00 O ATOM 0 H ASP A 74 -5.743 -0.926 9.402 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.233 -2.123 11.873 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.435 -1.269 10.923 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.517 -2.728 9.955 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.249 -4.219 9.320 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.855 -5.559 8.927 1.00 0.00 C ATOM 1168 C GLY A 75 -3.351 -5.746 8.930 1.00 0.00 C ATOM 1169 O GLY A 75 -2.831 -6.643 9.595 1.00 0.00 O ATOM 0 H GLY A 75 -5.584 -3.630 8.558 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.309 -6.281 9.605 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.242 -5.771 7.930 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.649 -4.899 8.185 1.00 0.00 N ATOM 1174 CA PHE A 76 -1.196 -4.976 8.103 1.00 0.00 C ATOM 1175 C PHE A 76 -0.574 -5.035 9.495 1.00 0.00 C ATOM 1176 O PHE A 76 0.229 -5.919 9.792 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.642 -3.774 7.335 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.838 -3.870 5.849 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.462 -5.011 5.160 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.398 -2.818 5.142 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.642 -5.102 3.792 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.580 -2.904 3.775 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.200 -4.047 3.099 1.00 0.00 C ATOM 0 H PHE A 76 -3.063 -4.151 7.629 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.936 -5.890 7.569 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.124 -2.867 7.699 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.423 -3.677 7.547 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.023 -5.839 5.697 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.695 -1.921 5.665 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.346 -5.998 3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.019 -2.078 3.235 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.339 -4.115 2.030 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.952 -4.086 10.346 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.433 -4.030 11.707 1.00 0.00 C ATOM 1195 C ALA A 77 -0.934 -5.209 12.534 1.00 0.00 C ATOM 1196 O ALA A 77 -0.498 -5.415 13.667 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.825 -2.716 12.367 1.00 0.00 C ATOM 0 H ALA A 77 -1.615 -3.346 10.117 1.00 0.00 H new ATOM 0 HA ALA A 77 0.654 -4.090 11.658 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.431 -2.687 13.383 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.414 -1.884 11.795 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.911 -2.634 12.397 1.00 0.00 H new ATOM 1203 N SER A 78 -1.852 -5.980 11.961 1.00 0.00 N ATOM 1204 CA SER A 78 -2.415 -7.137 12.648 1.00 0.00 C ATOM 1205 C SER A 78 -1.413 -8.286 12.689 1.00 0.00 C ATOM 1206 O SER A 78 -1.316 -9.005 13.684 1.00 0.00 O ATOM 1207 CB SER A 78 -3.701 -7.592 11.954 1.00 0.00 C ATOM 1208 OG SER A 78 -4.510 -8.357 12.831 1.00 0.00 O ATOM 0 H SER A 78 -2.222 -5.825 11.023 1.00 0.00 H new ATOM 0 HA SER A 78 -2.646 -6.843 13.672 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.258 -6.722 11.606 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.453 -8.184 11.073 1.00 0.00 H new ATOM 0 HG SER A 78 -5.326 -8.634 12.365 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.668 -8.453 11.601 1.00 0.00 N ATOM 1215 CA ILE A 79 0.328 -9.513 11.512 1.00 0.00 C ATOM 1216 C ILE A 79 1.640 -9.090 12.164 1.00 0.00 C ATOM 1217 O ILE A 79 2.389 -9.923 12.673 1.00 0.00 O ATOM 1218 CB ILE A 79 0.599 -9.910 10.049 1.00 0.00 C ATOM 1219 CG1 ILE A 79 0.698 -8.662 9.169 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.495 -10.838 9.541 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.347 -8.919 7.827 1.00 0.00 C ATOM 0 H ILE A 79 -0.736 -7.867 10.769 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.078 -10.373 12.043 1.00 0.00 H new ATOM 0 HB ILE A 79 1.550 -10.441 10.002 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.302 -8.260 9.009 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.267 -7.898 9.699 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.290 -11.110 8.506 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.522 -11.739 10.154 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.458 -10.331 9.599 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.384 -7.991 7.257 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.360 -9.292 7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.766 -9.660 7.278 1.00 0.00 H new ATOM 1233 N GLY A 80 1.912 -7.789 12.145 1.00 0.00 N ATOM 1234 CA GLY A 80 3.133 -7.277 12.738 1.00 0.00 C ATOM 1235 C GLY A 80 3.776 -6.192 11.898 1.00 0.00 C ATOM 1236 O GLY A 80 5.000 -6.059 11.875 1.00 0.00 O ATOM 0 H GLY A 80 1.308 -7.080 11.729 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.913 -6.882 13.730 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.840 -8.096 12.871 1.00 0.00 H new ATOM 1240 N ILE A 81 2.951 -5.416 11.204 1.00 0.00 N ATOM 1241 CA ILE A 81 3.447 -4.338 10.358 1.00 0.00 C ATOM 1242 C ILE A 81 3.192 -2.976 10.996 1.00 0.00 C ATOM 1243 O ILE A 81 2.075 -2.461 10.958 1.00 0.00 O ATOM 1244 CB ILE A 81 2.792 -4.369 8.964 1.00 0.00 C ATOM 1245 CG1 ILE A 81 2.995 -5.739 8.312 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.364 -3.268 8.085 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.627 -5.770 6.845 1.00 0.00 C ATOM 0 H ILE A 81 1.936 -5.514 11.211 1.00 0.00 H new ATOM 0 HA ILE A 81 4.521 -4.491 10.250 1.00 0.00 H new ATOM 0 HB ILE A 81 1.722 -4.196 9.078 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.038 -6.034 8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.396 -6.478 8.844 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.891 -3.303 7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.173 -2.299 8.545 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.439 -3.412 7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.796 -6.771 6.449 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.576 -5.506 6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.244 -5.055 6.300 1.00 0.00 H new ATOM 1259 N SER A 82 4.237 -2.398 11.580 1.00 0.00 N ATOM 1260 CA SER A 82 4.126 -1.097 12.229 1.00 0.00 C ATOM 1261 C SER A 82 3.603 -0.047 11.254 1.00 0.00 C ATOM 1262 O SER A 82 4.292 0.337 10.309 1.00 0.00 O ATOM 1263 CB SER A 82 5.485 -0.663 12.783 1.00 0.00 C ATOM 1264 OG SER A 82 5.789 -1.350 13.984 1.00 0.00 O ATOM 0 H SER A 82 5.169 -2.810 11.617 1.00 0.00 H new ATOM 0 HA SER A 82 3.418 -1.188 13.053 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.262 -0.857 12.043 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.480 0.411 12.966 1.00 0.00 H new ATOM 0 HG SER A 82 6.663 -1.056 14.317 1.00 0.00 H new ATOM 1270 N ARG A 83 2.379 0.414 11.491 1.00 0.00 N ATOM 1271 CA ARG A 83 1.761 1.418 10.634 1.00 0.00 C ATOM 1272 C ARG A 83 2.479 2.758 10.762 1.00 0.00 C ATOM 1273 O ARG A 83 2.282 3.490 11.733 1.00 0.00 O ATOM 1274 CB ARG A 83 0.283 1.584 10.990 1.00 0.00 C ATOM 1275 CG ARG A 83 0.048 2.037 12.421 1.00 0.00 C ATOM 1276 CD ARG A 83 -1.324 1.612 12.922 1.00 0.00 C ATOM 1277 NE ARG A 83 -2.348 2.610 12.626 1.00 0.00 N ATOM 1278 CZ ARG A 83 -2.331 3.846 13.110 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -1.348 4.235 13.910 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -3.299 4.697 12.794 1.00 0.00 N ATOM 0 H ARG A 83 1.796 0.108 12.270 1.00 0.00 H new ATOM 0 HA ARG A 83 1.843 1.078 9.602 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.166 2.308 10.310 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.229 0.635 10.829 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.819 1.618 13.068 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.138 3.122 12.480 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.600 0.663 12.463 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.281 1.445 13.998 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.119 2.343 12.014 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.602 3.584 14.155 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.338 5.185 14.280 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.057 4.402 12.179 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.285 5.646 13.166 1.00 0.00 H new ATOM 1294 N LEU A 84 3.314 3.073 9.778 1.00 0.00 N ATOM 1295 CA LEU A 84 4.063 4.325 9.780 1.00 0.00 C ATOM 1296 C LEU A 84 3.177 5.490 9.349 1.00 0.00 C ATOM 1297 O LEU A 84 3.145 6.534 10.003 1.00 0.00 O ATOM 1298 CB LEU A 84 5.274 4.220 8.852 1.00 0.00 C ATOM 1299 CG LEU A 84 6.236 3.065 9.132 1.00 0.00 C ATOM 1300 CD1 LEU A 84 7.301 2.983 8.050 1.00 0.00 C ATOM 1301 CD2 LEU A 84 6.877 3.226 10.503 1.00 0.00 C ATOM 0 H LEU A 84 3.490 2.478 8.968 1.00 0.00 H new ATOM 0 HA LEU A 84 4.408 4.511 10.797 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.914 4.127 7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.833 5.154 8.910 1.00 0.00 H new ATOM 0 HG LEU A 84 5.668 2.135 9.125 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.976 2.155 8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.825 2.820 7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.866 3.915 8.024 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.559 2.395 10.686 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.431 4.164 10.538 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.101 3.234 11.269 1.00 0.00 H new ATOM 1313 N LEU A 85 2.459 5.304 8.248 1.00 0.00 N ATOM 1314 CA LEU A 85 1.570 6.339 7.730 1.00 0.00 C ATOM 1315 C LEU A 85 0.221 6.304 8.442 1.00 0.00 C ATOM 1316 O LEU A 85 -0.191 5.267 8.960 1.00 0.00 O ATOM 1317 CB LEU A 85 1.369 6.161 6.224 1.00 0.00 C ATOM 1318 CG LEU A 85 0.780 7.359 5.479 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.748 8.531 5.504 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.437 6.979 4.046 1.00 0.00 C ATOM 0 H LEU A 85 2.474 4.446 7.696 1.00 0.00 H new ATOM 0 HA LEU A 85 2.034 7.308 7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.332 5.918 5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.717 5.303 6.064 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.138 7.661 5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.312 9.375 4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.944 8.819 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.683 8.241 5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.019 7.844 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.340 6.651 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.294 6.170 4.049 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.462 7.445 8.462 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.765 7.543 9.109 1.00 0.00 C ATOM 1334 C GLU A 86 -2.866 7.782 8.080 1.00 0.00 C ATOM 1335 O GLU A 86 -2.676 8.470 7.077 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.762 8.673 10.141 1.00 0.00 C ATOM 1337 CG GLU A 86 -0.835 8.420 11.317 1.00 0.00 C ATOM 1338 CD GLU A 86 0.576 8.915 11.065 1.00 0.00 C ATOM 1339 OE1 GLU A 86 0.734 9.902 10.317 1.00 0.00 O ATOM 1340 OE2 GLU A 86 1.522 8.314 11.616 1.00 0.00 O ATOM 0 H GLU A 86 -0.135 8.313 8.038 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.964 6.598 9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.468 9.601 9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.776 8.817 10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.236 8.912 12.203 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.808 7.351 11.530 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.048 7.199 8.333 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.203 7.332 7.441 1.00 0.00 C ATOM 1349 C PRO A 87 -5.785 8.742 7.454 1.00 0.00 C ATOM 1350 O PRO A 87 -6.066 9.317 6.403 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.211 6.333 8.014 1.00 0.00 C ATOM 1352 CG PRO A 87 -5.840 6.202 9.451 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.346 6.364 9.509 1.00 0.00 C ATOM 0 HA PRO A 87 -4.939 7.142 6.401 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.233 6.693 7.900 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.152 5.373 7.501 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.339 6.961 10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.143 5.232 9.846 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.030 6.845 10.434 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.835 5.402 9.459 1.00 0.00 H new ATOM 1361 N SER A 88 -5.964 9.293 8.651 1.00 0.00 N ATOM 1362 CA SER A 88 -6.516 10.634 8.800 1.00 0.00 C ATOM 1363 C SER A 88 -5.635 11.665 8.101 1.00 0.00 C ATOM 1364 O SER A 88 -6.124 12.509 7.351 1.00 0.00 O ATOM 1365 CB SER A 88 -6.657 10.988 10.282 1.00 0.00 C ATOM 1366 OG SER A 88 -7.599 10.144 10.921 1.00 0.00 O ATOM 0 H SER A 88 -5.735 8.831 9.531 1.00 0.00 H new ATOM 0 HA SER A 88 -7.501 10.649 8.334 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.689 10.896 10.775 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.969 12.028 10.383 1.00 0.00 H new ATOM 0 HG SER A 88 -7.669 10.390 11.867 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.333 11.589 8.353 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.382 12.515 7.748 1.00 0.00 C ATOM 1374 C ASP A 89 -3.690 12.720 6.268 1.00 0.00 C ATOM 1375 O ASP A 89 -3.776 13.852 5.794 1.00 0.00 O ATOM 1376 CB ASP A 89 -1.953 11.994 7.917 1.00 0.00 C ATOM 1377 CG ASP A 89 -0.925 13.108 7.899 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -1.228 14.204 8.417 1.00 0.00 O ATOM 1379 OD2 ASP A 89 0.182 12.884 7.367 1.00 0.00 O ATOM 0 H ASP A 89 -3.912 10.896 8.972 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.473 13.475 8.256 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.877 11.449 8.858 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.731 11.286 7.119 1.00 0.00 H new ATOM 1384 N MET A 90 -3.855 11.617 5.545 1.00 0.00 N ATOM 1385 CA MET A 90 -4.154 11.677 4.119 1.00 0.00 C ATOM 1386 C MET A 90 -5.265 12.683 3.838 1.00 0.00 C ATOM 1387 O MET A 90 -5.231 13.398 2.837 1.00 0.00 O ATOM 1388 CB MET A 90 -4.558 10.295 3.602 1.00 0.00 C ATOM 1389 CG MET A 90 -3.515 9.220 3.862 1.00 0.00 C ATOM 1390 SD MET A 90 -2.070 9.382 2.796 1.00 0.00 S ATOM 1391 CE MET A 90 -1.953 7.723 2.130 1.00 0.00 C ATOM 0 H MET A 90 -3.787 10.672 5.923 1.00 0.00 H new ATOM 0 HA MET A 90 -3.254 12.003 3.598 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.496 10.000 4.072 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.744 10.357 2.530 1.00 0.00 H new ATOM 0 HG2 MET A 90 -3.200 9.269 4.904 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.965 8.239 3.711 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.036 7.628 1.549 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.941 7.003 2.948 1.00 0.00 H new ATOM 0 HE3 MET A 90 -2.811 7.528 1.487 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.251 12.732 4.728 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.373 13.651 4.576 1.00 0.00 C ATOM 1403 C VAL A 91 -6.996 15.058 5.027 1.00 0.00 C ATOM 1404 O VAL A 91 -7.287 16.040 4.342 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.599 13.178 5.380 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.800 14.067 5.095 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.914 11.724 5.063 1.00 0.00 C ATOM 0 H VAL A 91 -6.296 12.146 5.562 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.627 13.668 3.516 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.367 13.253 6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.656 13.718 5.672 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.568 15.094 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.038 14.027 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.783 11.406 5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.127 11.622 3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.058 11.101 5.323 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.347 15.149 6.182 1.00 0.00 N ATOM 1418 CA LEU A 92 -5.928 16.437 6.725 1.00 0.00 C ATOM 1419 C LEU A 92 -5.209 17.266 5.667 1.00 0.00 C ATOM 1420 O LEU A 92 -5.649 18.362 5.316 1.00 0.00 O ATOM 1421 CB LEU A 92 -5.015 16.230 7.935 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.588 15.381 9.070 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.567 15.224 10.187 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -6.872 15.999 9.603 1.00 0.00 C ATOM 0 H LEU A 92 -6.099 14.347 6.761 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.820 16.978 7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.090 15.766 7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.751 17.208 8.337 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.821 14.392 8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.992 14.617 10.986 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.673 14.736 9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.303 16.206 10.579 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.265 15.381 10.410 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.664 17.000 9.981 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.607 16.059 8.801 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.102 16.736 5.159 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.322 17.427 4.137 1.00 0.00 C ATOM 1438 C LEU A 93 -3.827 17.081 2.740 1.00 0.00 C ATOM 1439 O LEU A 93 -4.787 16.326 2.585 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.842 17.060 4.263 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.489 15.596 3.996 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.211 15.376 2.517 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.290 15.176 4.834 1.00 0.00 C ATOM 0 H LEU A 93 -3.724 15.830 5.438 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.438 18.500 4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.274 17.682 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.509 17.316 5.269 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.341 14.978 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.962 14.329 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.096 15.638 1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.376 16.004 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.053 14.132 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.568 15.799 4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.525 15.296 5.892 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.172 17.636 1.726 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.551 17.382 0.341 1.00 0.00 C ATOM 1457 C ALA A 94 -2.698 16.276 -0.268 1.00 0.00 C ATOM 1458 O ALA A 94 -3.202 15.204 -0.606 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.432 18.657 -0.480 1.00 0.00 C ATOM 0 H ALA A 94 -2.376 18.264 1.837 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.589 17.051 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.718 18.453 -1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.091 19.420 -0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.402 19.013 -0.452 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.403 16.542 -0.407 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.480 15.567 -0.976 1.00 0.00 C ATOM 1467 C ILE A 95 0.457 15.010 0.091 1.00 0.00 C ATOM 1468 O ILE A 95 1.151 15.749 0.790 1.00 0.00 O ATOM 1469 CB ILE A 95 0.360 16.183 -2.110 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.551 16.706 -3.223 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.341 15.158 -2.659 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.539 15.678 -3.728 1.00 0.00 C ATOM 0 H ILE A 95 -0.970 17.424 -0.134 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.086 14.757 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 95 0.928 17.022 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.098 17.574 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.065 17.046 -4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.928 15.608 -3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.008 14.829 -1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.792 14.301 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.151 16.118 -4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.999 14.819 -4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.180 15.355 -2.907 1.00 0.00 H new ATOM 1484 N PRO A 96 0.481 13.675 0.218 1.00 0.00 N ATOM 1485 CA PRO A 96 1.331 12.989 1.195 1.00 0.00 C ATOM 1486 C PRO A 96 2.811 13.079 0.841 1.00 0.00 C ATOM 1487 O PRO A 96 3.170 13.322 -0.311 1.00 0.00 O ATOM 1488 CB PRO A 96 0.852 11.536 1.123 1.00 0.00 C ATOM 1489 CG PRO A 96 0.276 11.395 -0.243 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.319 12.733 -0.582 1.00 0.00 C ATOM 0 HA PRO A 96 1.249 13.431 2.188 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.676 10.839 1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.107 11.326 1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.045 11.116 -0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.483 10.613 -0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.245 12.947 -1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.376 12.781 -0.320 1.00 0.00 H new ATOM 1498 N ASP A 97 3.666 12.883 1.838 1.00 0.00 N ATOM 1499 CA ASP A 97 5.109 12.941 1.631 1.00 0.00 C ATOM 1500 C ASP A 97 5.625 11.637 1.031 1.00 0.00 C ATOM 1501 O ASP A 97 5.846 10.657 1.743 1.00 0.00 O ATOM 1502 CB ASP A 97 5.824 13.226 2.953 1.00 0.00 C ATOM 1503 CG ASP A 97 5.966 14.711 3.226 1.00 0.00 C ATOM 1504 OD1 ASP A 97 4.951 15.349 3.575 1.00 0.00 O ATOM 1505 OD2 ASP A 97 7.092 15.234 3.089 1.00 0.00 O ATOM 0 H ASP A 97 3.385 12.682 2.798 1.00 0.00 H new ATOM 0 HA ASP A 97 5.318 13.750 0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.271 12.761 3.769 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.812 12.767 2.935 1.00 0.00 H new ATOM 1510 N LYS A 98 5.813 11.632 -0.285 1.00 0.00 N ATOM 1511 CA LYS A 98 6.303 10.449 -0.983 1.00 0.00 C ATOM 1512 C LYS A 98 7.314 9.692 -0.128 1.00 0.00 C ATOM 1513 O LYS A 98 7.159 8.496 0.123 1.00 0.00 O ATOM 1514 CB LYS A 98 6.943 10.847 -2.315 1.00 0.00 C ATOM 1515 CG LYS A 98 6.826 9.778 -3.389 1.00 0.00 C ATOM 1516 CD LYS A 98 7.444 10.235 -4.699 1.00 0.00 C ATOM 1517 CE LYS A 98 8.960 10.115 -4.672 1.00 0.00 C ATOM 1518 NZ LYS A 98 9.573 10.534 -5.963 1.00 0.00 N ATOM 0 H LYS A 98 5.633 12.434 -0.889 1.00 0.00 H new ATOM 0 HA LYS A 98 5.454 9.794 -1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.475 11.764 -2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.997 11.071 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.319 8.866 -3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.776 9.533 -3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.045 9.637 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.163 11.270 -4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.359 10.729 -3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.239 9.084 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.607 10.438 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.212 9.932 -6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.328 11.526 -6.158 1.00 0.00 H new ATOM 1532 N LEU A 99 8.349 10.396 0.319 1.00 0.00 N ATOM 1533 CA LEU A 99 9.385 9.790 1.148 1.00 0.00 C ATOM 1534 C LEU A 99 8.770 8.912 2.233 1.00 0.00 C ATOM 1535 O LEU A 99 9.184 7.769 2.431 1.00 0.00 O ATOM 1536 CB LEU A 99 10.254 10.875 1.786 1.00 0.00 C ATOM 1537 CG LEU A 99 10.960 11.826 0.819 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.513 13.031 1.562 1.00 0.00 C ATOM 1539 CD2 LEU A 99 12.071 11.100 0.074 1.00 0.00 C ATOM 0 H LEU A 99 8.493 11.386 0.121 1.00 0.00 H new ATOM 0 HA LEU A 99 10.007 9.163 0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.628 11.467 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.010 10.390 2.404 1.00 0.00 H new ATOM 0 HG LEU A 99 10.231 12.179 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.012 13.696 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.697 13.565 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.228 12.698 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.563 11.792 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.799 10.718 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.648 10.270 -0.492 1.00 0.00 H new ATOM 1551 N THR A 100 7.778 9.452 2.933 1.00 0.00 N ATOM 1552 CA THR A 100 7.105 8.718 3.997 1.00 0.00 C ATOM 1553 C THR A 100 6.389 7.489 3.449 1.00 0.00 C ATOM 1554 O THR A 100 6.708 6.357 3.815 1.00 0.00 O ATOM 1555 CB THR A 100 6.085 9.606 4.734 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.746 10.739 5.308 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.374 8.821 5.826 1.00 0.00 C ATOM 0 H THR A 100 7.422 10.396 2.782 1.00 0.00 H new ATOM 0 HA THR A 100 7.876 8.403 4.700 1.00 0.00 H new ATOM 0 HB THR A 100 5.344 9.946 4.011 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.090 11.299 5.773 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.659 9.469 6.333 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.848 7.976 5.383 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.106 8.455 6.546 1.00 0.00 H new ATOM 1565 N VAL A 101 5.420 7.717 2.569 1.00 0.00 N ATOM 1566 CA VAL A 101 4.660 6.628 1.969 1.00 0.00 C ATOM 1567 C VAL A 101 5.584 5.528 1.458 1.00 0.00 C ATOM 1568 O VAL A 101 5.523 4.389 1.919 1.00 0.00 O ATOM 1569 CB VAL A 101 3.785 7.129 0.804 1.00 0.00 C ATOM 1570 CG1 VAL A 101 3.032 5.971 0.165 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.820 8.201 1.287 1.00 0.00 C ATOM 0 H VAL A 101 5.143 8.647 2.256 1.00 0.00 H new ATOM 0 HA VAL A 101 4.016 6.224 2.751 1.00 0.00 H new ATOM 0 HB VAL A 101 4.434 7.570 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.419 6.344 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.745 5.240 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.392 5.498 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.209 8.544 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.175 7.787 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.383 9.041 1.694 1.00 0.00 H new ATOM 1581 N MET A 102 6.441 5.879 0.505 1.00 0.00 N ATOM 1582 CA MET A 102 7.381 4.921 -0.067 1.00 0.00 C ATOM 1583 C MET A 102 8.002 4.052 1.022 1.00 0.00 C ATOM 1584 O MET A 102 8.066 2.829 0.894 1.00 0.00 O ATOM 1585 CB MET A 102 8.480 5.652 -0.841 1.00 0.00 C ATOM 1586 CG MET A 102 8.068 6.053 -2.248 1.00 0.00 C ATOM 1587 SD MET A 102 9.471 6.550 -3.266 1.00 0.00 S ATOM 1588 CE MET A 102 9.755 5.052 -4.206 1.00 0.00 C ATOM 0 H MET A 102 6.504 6.818 0.113 1.00 0.00 H new ATOM 0 HA MET A 102 6.831 4.276 -0.753 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.770 6.545 -0.288 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.360 5.012 -0.897 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.556 5.217 -2.725 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.354 6.875 -2.193 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.827 4.890 -4.318 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.313 4.204 -3.682 1.00 0.00 H new ATOM 0 HE3 MET A 102 9.298 5.148 -5.191 1.00 0.00 H new ATOM 1598 N THR A 103 8.459 4.691 2.094 1.00 0.00 N ATOM 1599 CA THR A 103 9.076 3.977 3.204 1.00 0.00 C ATOM 1600 C THR A 103 8.156 2.883 3.734 1.00 0.00 C ATOM 1601 O THR A 103 8.544 1.718 3.820 1.00 0.00 O ATOM 1602 CB THR A 103 9.436 4.933 4.358 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.325 5.953 3.889 1.00 0.00 O ATOM 1604 CG2 THR A 103 10.085 4.175 5.506 1.00 0.00 C ATOM 0 H THR A 103 8.413 5.703 2.217 1.00 0.00 H new ATOM 0 HA THR A 103 9.990 3.525 2.819 1.00 0.00 H new ATOM 0 HB THR A 103 8.517 5.392 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.825 6.599 3.347 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.330 4.870 6.309 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.394 3.419 5.879 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.996 3.692 5.154 1.00 0.00 H new ATOM 1612 N TYR A 104 6.934 3.266 4.088 1.00 0.00 N ATOM 1613 CA TYR A 104 5.958 2.317 4.612 1.00 0.00 C ATOM 1614 C TYR A 104 5.781 1.137 3.661 1.00 0.00 C ATOM 1615 O TYR A 104 5.922 -0.021 4.057 1.00 0.00 O ATOM 1616 CB TYR A 104 4.613 3.010 4.838 1.00 0.00 C ATOM 1617 CG TYR A 104 3.542 2.090 5.379 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.734 1.387 6.562 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.336 1.925 4.708 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.758 0.546 7.059 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.354 1.087 5.198 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.570 0.399 6.374 1.00 0.00 C ATOM 1623 OH TYR A 104 0.595 -0.438 6.867 1.00 0.00 O ATOM 0 H TYR A 104 6.596 4.226 4.022 1.00 0.00 H new ATOM 0 HA TYR A 104 6.330 1.940 5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.753 3.839 5.532 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.271 3.438 3.895 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.662 1.500 7.102 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.164 2.462 3.787 1.00 0.00 H new ATOM 0 HE1 TYR A 104 2.924 0.006 7.979 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.423 0.971 4.664 1.00 0.00 H new ATOM 0 HH TYR A 104 0.227 -0.977 6.136 1.00 0.00 H new ATOM 1633 N LEU A 105 5.472 1.439 2.405 1.00 0.00 N ATOM 1634 CA LEU A 105 5.277 0.404 1.395 1.00 0.00 C ATOM 1635 C LEU A 105 6.345 -0.678 1.511 1.00 0.00 C ATOM 1636 O LEU A 105 6.036 -1.847 1.744 1.00 0.00 O ATOM 1637 CB LEU A 105 5.306 1.019 -0.005 1.00 0.00 C ATOM 1638 CG LEU A 105 3.985 1.598 -0.513 1.00 0.00 C ATOM 1639 CD1 LEU A 105 4.214 2.434 -1.762 1.00 0.00 C ATOM 1640 CD2 LEU A 105 2.986 0.483 -0.790 1.00 0.00 C ATOM 0 H LEU A 105 5.351 2.392 2.061 1.00 0.00 H new ATOM 0 HA LEU A 105 4.303 -0.055 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.055 1.811 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.639 0.256 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 105 3.572 2.245 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.263 2.838 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.894 3.254 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.650 1.810 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.052 0.913 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.392 -0.189 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.799 -0.074 0.128 1.00 0.00 H new ATOM 1652 N TYR A 106 7.602 -0.281 1.349 1.00 0.00 N ATOM 1653 CA TYR A 106 8.716 -1.218 1.435 1.00 0.00 C ATOM 1654 C TYR A 106 8.480 -2.246 2.537 1.00 0.00 C ATOM 1655 O TYR A 106 8.828 -3.418 2.391 1.00 0.00 O ATOM 1656 CB TYR A 106 10.023 -0.466 1.695 1.00 0.00 C ATOM 1657 CG TYR A 106 10.611 0.173 0.457 1.00 0.00 C ATOM 1658 CD1 TYR A 106 11.006 -0.601 -0.627 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.770 1.550 0.372 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.544 -0.021 -1.760 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.306 2.139 -0.758 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.692 1.349 -1.820 1.00 0.00 C ATOM 1663 OH TYR A 106 12.227 1.930 -2.947 1.00 0.00 O ATOM 0 H TYR A 106 7.875 0.683 1.157 1.00 0.00 H new ATOM 0 HA TYR A 106 8.790 -1.744 0.483 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.845 0.307 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.752 -1.157 2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.891 -1.674 -0.583 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.470 2.171 1.203 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.847 -0.637 -2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.422 3.212 -0.809 1.00 0.00 H new ATOM 0 HH TYR A 106 12.262 2.902 -2.829 1.00 0.00 H new ATOM 1673 N GLN A 107 7.885 -1.798 3.637 1.00 0.00 N ATOM 1674 CA GLN A 107 7.602 -2.679 4.764 1.00 0.00 C ATOM 1675 C GLN A 107 6.688 -3.825 4.343 1.00 0.00 C ATOM 1676 O GLN A 107 7.018 -4.996 4.532 1.00 0.00 O ATOM 1677 CB GLN A 107 6.957 -1.890 5.906 1.00 0.00 C ATOM 1678 CG GLN A 107 7.734 -0.643 6.298 1.00 0.00 C ATOM 1679 CD GLN A 107 8.992 -0.962 7.081 1.00 0.00 C ATOM 1680 OE1 GLN A 107 10.106 -0.794 6.584 1.00 0.00 O ATOM 1681 NE2 GLN A 107 8.821 -1.425 8.314 1.00 0.00 N ATOM 0 H GLN A 107 7.590 -0.831 3.772 1.00 0.00 H new ATOM 0 HA GLN A 107 8.546 -3.100 5.110 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.947 -1.602 5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.863 -2.538 6.777 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.001 -0.088 5.399 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.094 0.007 6.895 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.879 -1.549 8.686 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.631 -1.657 8.889 1.00 0.00 H new ATOM 1690 N ILE A 108 5.538 -3.480 3.774 1.00 0.00 N ATOM 1691 CA ILE A 108 4.578 -4.480 3.325 1.00 0.00 C ATOM 1692 C ILE A 108 5.204 -5.426 2.307 1.00 0.00 C ATOM 1693 O ILE A 108 5.251 -6.638 2.517 1.00 0.00 O ATOM 1694 CB ILE A 108 3.331 -3.824 2.702 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.604 -2.969 3.741 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.400 -4.887 2.138 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.100 -1.541 3.802 1.00 0.00 C ATOM 0 H ILE A 108 5.249 -2.515 3.613 1.00 0.00 H new ATOM 0 HA ILE A 108 4.278 -5.047 4.206 1.00 0.00 H new ATOM 0 HB ILE A 108 3.649 -3.176 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.538 -2.965 3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.720 -3.428 4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.523 -4.408 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.922 -5.458 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.086 -5.558 2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.540 -0.993 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.159 -1.534 4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.959 -1.065 2.832 1.00 0.00 H new ATOM 1709 N ARG A 109 5.686 -4.864 1.203 1.00 0.00 N ATOM 1710 CA ARG A 109 6.311 -5.657 0.152 1.00 0.00 C ATOM 1711 C ARG A 109 7.424 -6.532 0.719 1.00 0.00 C ATOM 1712 O ARG A 109 7.572 -7.692 0.337 1.00 0.00 O ATOM 1713 CB ARG A 109 6.871 -4.744 -0.941 1.00 0.00 C ATOM 1714 CG ARG A 109 7.916 -5.415 -1.818 1.00 0.00 C ATOM 1715 CD ARG A 109 9.315 -5.240 -1.249 1.00 0.00 C ATOM 1716 NE ARG A 109 10.347 -5.438 -2.263 1.00 0.00 N ATOM 1717 CZ ARG A 109 10.666 -4.525 -3.174 1.00 0.00 C ATOM 1718 NH1 ARG A 109 10.037 -3.358 -3.197 1.00 0.00 N ATOM 1719 NH2 ARG A 109 11.617 -4.779 -4.065 1.00 0.00 N ATOM 0 H ARG A 109 5.655 -3.862 1.014 1.00 0.00 H new ATOM 0 HA ARG A 109 5.549 -6.305 -0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.050 -4.397 -1.569 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.311 -3.862 -0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.689 -6.477 -1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.875 -4.993 -2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.411 -4.241 -0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.466 -5.948 -0.435 1.00 0.00 H new ATOM 0 HE ARG A 109 10.850 -6.325 -2.272 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.306 -3.159 -2.514 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.284 -2.659 -3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.103 -5.676 -4.050 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.861 -4.078 -4.764 1.00 0.00 H new ATOM 1733 N ALA A 110 8.206 -5.966 1.633 1.00 0.00 N ATOM 1734 CA ALA A 110 9.305 -6.695 2.255 1.00 0.00 C ATOM 1735 C ALA A 110 8.787 -7.846 3.110 1.00 0.00 C ATOM 1736 O ALA A 110 9.297 -8.964 3.038 1.00 0.00 O ATOM 1737 CB ALA A 110 10.156 -5.752 3.094 1.00 0.00 C ATOM 0 H ALA A 110 8.099 -5.005 1.959 1.00 0.00 H new ATOM 0 HA ALA A 110 9.923 -7.116 1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 110 10.973 -6.310 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.565 -4.967 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.541 -5.303 3.874 1.00 0.00 H new ATOM 1743 N HIS A 111 7.771 -7.565 3.920 1.00 0.00 N ATOM 1744 CA HIS A 111 7.184 -8.578 4.790 1.00 0.00 C ATOM 1745 C HIS A 111 6.920 -9.868 4.020 1.00 0.00 C ATOM 1746 O HIS A 111 7.464 -10.922 4.349 1.00 0.00 O ATOM 1747 CB HIS A 111 5.883 -8.061 5.404 1.00 0.00 C ATOM 1748 CG HIS A 111 5.367 -8.914 6.521 1.00 0.00 C ATOM 1749 ND1 HIS A 111 5.790 -8.779 7.827 1.00 0.00 N ATOM 1750 CD2 HIS A 111 4.458 -9.916 6.523 1.00 0.00 C ATOM 1751 CE1 HIS A 111 5.163 -9.663 8.583 1.00 0.00 C ATOM 1752 NE2 HIS A 111 4.349 -10.365 7.816 1.00 0.00 N ATOM 0 H HIS A 111 7.337 -6.645 3.992 1.00 0.00 H new ATOM 0 HA HIS A 111 7.894 -8.792 5.589 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.043 -7.049 5.775 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.123 -7.998 4.625 1.00 0.00 H new ATOM 0 HD2 HIS A 111 3.918 -10.293 5.667 1.00 0.00 H new ATOM 0 HE1 HIS A 111 5.294 -9.790 9.647 1.00 0.00 H new ATOM 0 HE2 HIS A 111 3.739 -11.118 8.133 1.00 0.00 H new ATOM 1761 N PHE A 112 6.080 -9.777 2.994 1.00 0.00 N ATOM 1762 CA PHE A 112 5.742 -10.938 2.178 1.00 0.00 C ATOM 1763 C PHE A 112 6.937 -11.380 1.339 1.00 0.00 C ATOM 1764 O PHE A 112 7.290 -12.559 1.314 1.00 0.00 O ATOM 1765 CB PHE A 112 4.555 -10.619 1.267 1.00 0.00 C ATOM 1766 CG PHE A 112 3.246 -10.526 1.998 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.606 -11.669 2.448 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.656 -9.295 2.234 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.402 -11.587 3.121 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.452 -9.206 2.907 1.00 0.00 C ATOM 1771 CZ PHE A 112 0.823 -10.354 3.350 1.00 0.00 C ATOM 0 H PHE A 112 5.621 -8.912 2.708 1.00 0.00 H new ATOM 0 HA PHE A 112 5.469 -11.754 2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.744 -9.676 0.755 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.479 -11.389 0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.053 -12.636 2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.142 -8.395 1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.914 -12.486 3.468 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.003 -8.240 3.086 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.119 -10.287 3.874 1.00 0.00 H new