USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 64 THR OG1 : rot 52:sc= 0.396! USER MOD Set 1.2: A 67 SER OG : rot 71:sc= -0.576! USER MOD Set 2.1: A 36 LYS NZ :NH3+ -144:sc= 1.01! (180deg=-1.21!) USER MOD Set 2.2: A 50 GLN : amide:sc= -0.743! C(o=0.27!,f=-23!) USER MOD Single : A 11 SER OG : rot 88:sc= 1.3 USER MOD Single : A 16 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.25) USER MOD Single : A 17 MET CE :methyl -155:sc= -0.118 (180deg=-1.11) USER MOD Single : A 18 HIS : no HD1:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 19 THR OG1 : rot -52:sc= 1.02 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -117:sc= -5.75! (180deg=-8.92!) USER MOD Single : A 31 THR OG1 : rot -91:sc= 1.11 USER MOD Single : A 34 SER OG : rot -160:sc= -0.708 USER MOD Single : A 38 MET CE :methyl -156:sc= -6.42! (180deg=-9.65!) USER MOD Single : A 43 TYR OH : rot 153:sc= -0.289 USER MOD Single : A 51 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.29) USER MOD Single : A 62 GLN : amide:sc= -2.06! C(o=-2.1!,f=-6.8!) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -4.61! C(o=-5.5!,f=-4.6!) USER MOD Single : A 68 HIS : +bothHN:sc= -8.67! C(o=-8.7!,f=-22!) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.12 F(o=-1,f=-0.12) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 158:sc= 1.14 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.328 USER MOD ----------------------------------------------------------------- ATOM 65 N ASP A 5 8.739 -5.829 1.856 1.00 70.34 N ATOM 66 CA ASP A 5 9.425 -6.871 2.603 1.00 52.01 C ATOM 67 C ASP A 5 8.710 -8.196 2.480 1.00 14.04 C ATOM 68 O ASP A 5 7.475 -8.255 2.469 1.00 34.30 O ATOM 69 CB ASP A 5 9.533 -6.533 4.093 1.00 72.04 C ATOM 70 CG ASP A 5 10.630 -5.525 4.387 1.00 32.43 C ATOM 71 OD1 ASP A 5 11.528 -5.376 3.584 1.00 63.22 O ATOM 72 OD2 ASP A 5 10.571 -4.918 5.433 1.00 71.24 O ATOM 0 HA ASP A 5 10.424 -6.940 2.172 1.00 52.01 H new ATOM 0 HB2 ASP A 5 8.579 -6.138 4.442 1.00 72.04 H new ATOM 0 HB3 ASP A 5 9.724 -7.447 4.656 1.00 72.04 H new ATOM 77 N ILE A 6 9.482 -9.244 2.578 1.00 61.21 N ATOM 78 CA ILE A 6 8.997 -10.601 2.658 1.00 73.32 C ATOM 79 C ILE A 6 9.578 -11.207 3.923 1.00 11.45 C ATOM 80 O ILE A 6 10.536 -10.654 4.485 1.00 13.11 O ATOM 81 CB ILE A 6 9.465 -11.396 1.427 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.003 -11.450 1.387 1.00 42.14 C ATOM 83 CG2 ILE A 6 8.970 -10.693 0.160 1.00 61.31 C ATOM 84 CD1 ILE A 6 11.458 -12.408 0.290 1.00 10.12 C ATOM 0 H ILE A 6 10.499 -9.178 2.605 1.00 61.21 H new ATOM 0 HA ILE A 6 7.908 -10.627 2.682 1.00 73.32 H new ATOM 0 HB ILE A 6 9.065 -12.408 1.484 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.406 -10.454 1.203 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.390 -11.777 2.352 1.00 42.14 H new ATOM 0 HG21 ILE A 6 9.298 -11.251 -0.717 1.00 61.31 H new ATOM 0 HG22 ILE A 6 7.881 -10.644 0.173 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.378 -9.683 0.121 1.00 61.31 H new ATOM 0 HD11 ILE A 6 12.547 -12.443 0.266 1.00 10.12 H new ATOM 0 HD12 ILE A 6 11.068 -13.405 0.493 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.085 -12.061 -0.674 1.00 10.12 H new ATOM 96 N ARG A 7 8.990 -12.285 4.418 1.00 43.32 N ATOM 97 CA ARG A 7 9.485 -12.857 5.663 1.00 44.44 C ATOM 98 C ARG A 7 10.360 -14.061 5.416 1.00 14.40 C ATOM 99 O ARG A 7 9.961 -15.010 4.730 1.00 73.14 O ATOM 100 CB ARG A 7 8.354 -13.194 6.641 1.00 13.53 C ATOM 101 CG ARG A 7 7.545 -11.924 6.904 1.00 74.33 C ATOM 102 CD ARG A 7 6.660 -12.097 8.144 1.00 62.21 C ATOM 103 NE ARG A 7 5.662 -13.145 7.959 1.00 62.41 N ATOM 104 CZ ARG A 7 4.900 -13.552 8.980 1.00 20.20 C ATOM 105 NH1 ARG A 7 5.045 -12.996 10.148 1.00 41.23 N ATOM 106 NH2 ARG A 7 4.017 -14.488 8.811 1.00 33.44 N ATOM 0 H ARG A 7 8.197 -12.768 3.996 1.00 43.32 H new ATOM 0 HA ARG A 7 10.098 -12.087 6.131 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.713 -13.972 6.226 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.763 -13.582 7.574 1.00 13.53 H new ATOM 0 HG2 ARG A 7 8.219 -11.079 7.046 1.00 74.33 H new ATOM 0 HG3 ARG A 7 6.925 -11.695 6.037 1.00 74.33 H new ATOM 0 HD2 ARG A 7 7.284 -12.338 9.005 1.00 62.21 H new ATOM 0 HD3 ARG A 7 6.160 -11.155 8.367 1.00 62.21 H new ATOM 0 HE ARG A 7 5.544 -13.572 7.040 1.00 62.41 H new ATOM 0 HH11 ARG A 7 5.735 -12.256 10.279 1.00 41.23 H new ATOM 0 HH12 ARG A 7 4.468 -13.300 10.933 1.00 41.23 H new ATOM 0 HH21 ARG A 7 3.900 -14.919 7.894 1.00 33.44 H new ATOM 0 HH22 ARG A 7 3.440 -14.792 9.595 1.00 33.44 H new ATOM 120 N LEU A 8 11.532 -14.026 6.021 1.00 14.31 N ATOM 121 CA LEU A 8 12.504 -15.094 5.934 1.00 32.33 C ATOM 122 C LEU A 8 12.647 -15.760 7.282 1.00 71.45 C ATOM 123 O LEU A 8 12.865 -15.080 8.295 1.00 32.14 O ATOM 124 CB LEU A 8 13.865 -14.521 5.485 1.00 51.41 C ATOM 125 CG LEU A 8 14.971 -15.595 5.576 1.00 41.23 C ATOM 126 CD1 LEU A 8 14.699 -16.729 4.588 1.00 43.15 C ATOM 127 CD2 LEU A 8 16.333 -14.963 5.264 1.00 70.54 C ATOM 0 H LEU A 8 11.838 -13.241 6.596 1.00 14.31 H new ATOM 0 HA LEU A 8 12.168 -15.831 5.204 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.790 -14.156 4.461 1.00 51.41 H new ATOM 0 HB3 LEU A 8 14.129 -13.667 6.109 1.00 51.41 H new ATOM 0 HG LEU A 8 14.978 -16.002 6.587 1.00 41.23 H new ATOM 0 HD11 LEU A 8 15.488 -17.477 4.666 1.00 43.15 H new ATOM 0 HD12 LEU A 8 13.739 -17.190 4.819 1.00 43.15 H new ATOM 0 HD13 LEU A 8 14.676 -16.330 3.574 1.00 43.15 H new ATOM 0 HD21 LEU A 8 17.111 -15.724 5.329 1.00 70.54 H new ATOM 0 HD22 LEU A 8 16.318 -14.545 4.258 1.00 70.54 H new ATOM 0 HD23 LEU A 8 16.540 -14.170 5.983 1.00 70.54 H new ATOM 139 N TRP A 9 12.568 -17.077 7.297 1.00 31.14 N ATOM 140 CA TRP A 9 12.773 -17.812 8.530 1.00 63.14 C ATOM 141 C TRP A 9 14.228 -18.170 8.637 1.00 61.44 C ATOM 142 O TRP A 9 14.789 -18.780 7.722 1.00 73.50 O ATOM 143 CB TRP A 9 11.973 -19.115 8.530 1.00 41.11 C ATOM 144 CG TRP A 9 10.567 -18.886 8.108 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.830 -17.794 8.386 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.719 -19.767 7.332 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.573 -17.960 7.832 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.461 -19.162 7.174 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.927 -21.026 6.761 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.437 -19.786 6.470 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.908 -21.658 6.049 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.658 -21.038 5.905 1.00 21.20 C ATOM 0 H TRP A 9 12.366 -17.654 6.480 1.00 31.14 H new ATOM 0 HA TRP A 9 12.448 -17.188 9.363 1.00 63.14 H new ATOM 0 HB2 TRP A 9 12.444 -19.833 7.859 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.989 -19.554 9.528 1.00 41.11 H new ATOM 0 HD1 TRP A 9 10.164 -16.934 8.947 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.821 -17.274 7.903 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.885 -21.513 6.872 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.477 -19.302 6.363 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 9.082 -22.628 5.607 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.869 -21.531 5.357 1.00 21.20 H new ATOM 163 N VAL A 10 14.824 -17.897 9.763 1.00 73.13 N ATOM 164 CA VAL A 10 16.189 -18.294 9.968 1.00 21.41 C ATOM 165 C VAL A 10 16.274 -19.233 11.147 1.00 54.12 C ATOM 166 O VAL A 10 15.789 -18.926 12.244 1.00 12.11 O ATOM 167 CB VAL A 10 17.086 -17.064 10.172 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.551 -17.494 10.327 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.948 -16.125 8.965 1.00 2.31 C ATOM 0 H VAL A 10 14.392 -17.406 10.546 1.00 73.13 H new ATOM 0 HA VAL A 10 16.546 -18.818 9.081 1.00 21.41 H new ATOM 0 HB VAL A 10 16.775 -16.544 11.078 1.00 41.13 H new ATOM 0 HG11 VAL A 10 19.176 -16.612 10.471 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.648 -18.152 11.191 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.872 -18.023 9.430 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.584 -15.252 9.109 1.00 2.31 H new ATOM 0 HG22 VAL A 10 17.251 -16.650 8.059 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.910 -15.806 8.869 1.00 2.31 H new ATOM 179 N SER A 11 16.890 -20.366 10.921 1.00 71.44 N ATOM 180 CA SER A 11 17.083 -21.337 11.965 1.00 32.15 C ATOM 181 C SER A 11 18.329 -20.944 12.722 1.00 55.14 C ATOM 182 O SER A 11 19.361 -20.718 12.109 1.00 33.30 O ATOM 183 CB SER A 11 17.288 -22.710 11.332 1.00 73.42 C ATOM 184 OG SER A 11 16.521 -22.790 10.122 1.00 53.13 O ATOM 0 H SER A 11 17.269 -20.639 10.014 1.00 71.44 H new ATOM 0 HA SER A 11 16.222 -21.374 12.632 1.00 32.15 H new ATOM 0 HB2 SER A 11 18.345 -22.871 11.118 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.980 -23.493 12.025 1.00 73.42 H new ATOM 0 HG SER A 11 17.056 -22.455 9.373 1.00 53.13 H new ATOM 190 N VAL A 12 18.247 -20.854 14.025 1.00 44.50 N ATOM 191 CA VAL A 12 19.399 -20.470 14.809 1.00 65.33 C ATOM 192 C VAL A 12 19.747 -21.580 15.772 1.00 31.54 C ATOM 193 O VAL A 12 18.909 -21.984 16.576 1.00 45.10 O ATOM 194 CB VAL A 12 19.093 -19.176 15.595 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.223 -18.866 16.593 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.930 -18.005 14.622 1.00 44.14 C ATOM 0 H VAL A 12 17.402 -21.039 14.565 1.00 44.50 H new ATOM 0 HA VAL A 12 20.243 -20.290 14.143 1.00 65.33 H new ATOM 0 HB VAL A 12 18.167 -19.320 16.151 1.00 22.42 H new ATOM 0 HG11 VAL A 12 19.988 -17.951 17.136 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.322 -19.691 17.298 1.00 53.10 H new ATOM 0 HG13 VAL A 12 21.160 -18.736 16.052 1.00 53.10 H new ATOM 0 HG21 VAL A 12 18.714 -17.095 15.181 1.00 44.14 H new ATOM 0 HG22 VAL A 12 19.851 -17.873 14.054 1.00 44.14 H new ATOM 0 HG23 VAL A 12 18.108 -18.213 13.937 1.00 44.14 H new ATOM 206 N GLU A 13 20.996 -22.000 15.770 1.00 65.32 N ATOM 207 CA GLU A 13 21.445 -22.965 16.748 1.00 15.40 C ATOM 208 C GLU A 13 22.395 -22.308 17.720 1.00 23.23 C ATOM 209 O GLU A 13 23.491 -21.880 17.340 1.00 42.34 O ATOM 210 CB GLU A 13 22.100 -24.182 16.094 1.00 20.03 C ATOM 211 CG GLU A 13 21.050 -24.955 15.284 1.00 1.01 C ATOM 212 CD GLU A 13 21.353 -26.433 15.335 1.00 64.42 C ATOM 213 OE1 GLU A 13 21.264 -26.989 16.401 1.00 34.31 O ATOM 214 OE2 GLU A 13 21.668 -26.993 14.313 1.00 14.21 O ATOM 0 H GLU A 13 21.710 -21.692 15.110 1.00 65.32 H new ATOM 0 HA GLU A 13 20.569 -23.325 17.288 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.915 -23.864 15.444 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.535 -24.828 16.857 1.00 20.03 H new ATOM 0 HG2 GLU A 13 20.055 -24.764 15.685 1.00 1.01 H new ATOM 0 HG3 GLU A 13 21.048 -24.610 14.250 1.00 1.01 H new ATOM 221 N ASP A 14 21.959 -22.209 18.965 1.00 22.33 N ATOM 222 CA ASP A 14 22.755 -21.596 20.010 1.00 31.53 C ATOM 223 C ASP A 14 23.841 -22.537 20.448 1.00 2.03 C ATOM 224 O ASP A 14 23.607 -23.738 20.611 1.00 12.43 O ATOM 225 CB ASP A 14 21.881 -21.213 21.215 1.00 1.42 C ATOM 226 CG ASP A 14 22.611 -20.258 22.161 1.00 22.13 C ATOM 227 OD1 ASP A 14 23.815 -20.145 22.075 1.00 24.52 O ATOM 228 OD2 ASP A 14 21.942 -19.640 22.963 1.00 34.20 O ATOM 0 H ASP A 14 21.049 -22.549 19.276 1.00 22.33 H new ATOM 0 HA ASP A 14 23.203 -20.688 19.607 1.00 31.53 H new ATOM 0 HB2 ASP A 14 20.961 -20.745 20.864 1.00 1.42 H new ATOM 0 HB3 ASP A 14 21.594 -22.114 21.757 1.00 1.42 H new ATOM 233 N ALA A 15 24.973 -21.974 20.780 1.00 64.23 N ATOM 234 CA ALA A 15 26.078 -22.729 21.334 1.00 62.10 C ATOM 235 C ALA A 15 25.607 -23.479 22.559 1.00 0.30 C ATOM 236 O ALA A 15 26.160 -24.516 22.921 1.00 4.10 O ATOM 237 CB ALA A 15 27.213 -21.795 21.709 1.00 72.21 C ATOM 0 H ALA A 15 25.160 -20.977 20.676 1.00 64.23 H new ATOM 0 HA ALA A 15 26.439 -23.437 20.588 1.00 62.10 H new ATOM 0 HB1 ALA A 15 28.038 -22.374 22.124 1.00 72.21 H new ATOM 0 HB2 ALA A 15 27.554 -21.262 20.821 1.00 72.21 H new ATOM 0 HB3 ALA A 15 26.863 -21.077 22.451 1.00 72.21 H new ATOM 243 N GLN A 16 24.527 -22.993 23.143 1.00 3.31 N ATOM 244 CA GLN A 16 23.907 -23.655 24.277 1.00 70.51 C ATOM 245 C GLN A 16 23.309 -24.982 23.818 1.00 44.44 C ATOM 246 O GLN A 16 22.642 -25.676 24.588 1.00 43.52 O ATOM 247 CB GLN A 16 22.805 -22.767 24.867 1.00 25.04 C ATOM 248 CG GLN A 16 23.389 -21.399 25.249 1.00 60.51 C ATOM 249 CD GLN A 16 24.477 -21.558 26.293 1.00 52.33 C ATOM 250 OE1 GLN A 16 24.259 -22.203 27.322 1.00 42.31 O ATOM 251 NE2 GLN A 16 25.636 -21.014 26.099 1.00 32.13 N ATOM 0 H GLN A 16 24.058 -22.136 22.848 1.00 3.31 H new ATOM 0 HA GLN A 16 24.660 -23.837 25.044 1.00 70.51 H new ATOM 0 HB2 GLN A 16 22.001 -22.640 24.142 1.00 25.04 H new ATOM 0 HB3 GLN A 16 22.371 -23.245 25.745 1.00 25.04 H new ATOM 0 HG2 GLN A 16 23.795 -20.911 24.363 1.00 60.51 H new ATOM 0 HG3 GLN A 16 22.599 -20.755 25.634 1.00 60.51 H new ATOM 0 HE21 GLN A 16 25.813 -20.481 25.247 1.00 32.13 H new ATOM 0 HE22 GLN A 16 26.372 -21.118 26.798 1.00 32.13 H new ATOM 260 N MET A 17 23.487 -25.275 22.532 1.00 5.31 N ATOM 261 CA MET A 17 22.951 -26.466 21.899 1.00 12.12 C ATOM 262 C MET A 17 21.445 -26.355 21.782 1.00 54.32 C ATOM 263 O MET A 17 20.719 -27.345 21.919 1.00 30.13 O ATOM 264 CB MET A 17 23.360 -27.735 22.666 1.00 21.12 C ATOM 265 CG MET A 17 24.891 -27.865 22.656 1.00 2.23 C ATOM 266 SD MET A 17 25.491 -27.881 20.948 1.00 25.23 S ATOM 267 CE MET A 17 24.719 -29.436 20.446 1.00 74.04 C ATOM 0 H MET A 17 24.016 -24.679 21.895 1.00 5.31 H new ATOM 0 HA MET A 17 23.371 -26.547 20.896 1.00 12.12 H new ATOM 0 HB2 MET A 17 22.995 -27.687 23.692 1.00 21.12 H new ATOM 0 HB3 MET A 17 22.906 -28.613 22.207 1.00 21.12 H new ATOM 0 HG2 MET A 17 25.340 -27.035 23.201 1.00 2.23 H new ATOM 0 HG3 MET A 17 25.191 -28.781 23.166 1.00 2.23 H new ATOM 0 HE1 MET A 17 25.281 -29.871 19.619 1.00 74.04 H new ATOM 0 HE2 MET A 17 24.717 -30.129 21.287 1.00 74.04 H new ATOM 0 HE3 MET A 17 23.693 -29.247 20.129 1.00 74.04 H new ATOM 277 N HIS A 18 20.985 -25.139 21.510 1.00 43.51 N ATOM 278 CA HIS A 18 19.564 -24.864 21.325 1.00 22.43 C ATOM 279 C HIS A 18 19.305 -24.483 19.878 1.00 34.12 C ATOM 280 O HIS A 18 19.863 -23.501 19.388 1.00 31.44 O ATOM 281 CB HIS A 18 19.114 -23.701 22.225 1.00 70.50 C ATOM 282 CG HIS A 18 19.296 -24.051 23.678 1.00 40.41 C ATOM 283 ND1 HIS A 18 19.112 -23.118 24.688 1.00 0.13 N ATOM 284 CD2 HIS A 18 19.658 -25.217 24.307 1.00 21.11 C ATOM 285 CE1 HIS A 18 19.365 -23.734 25.858 1.00 21.41 C ATOM 286 NE2 HIS A 18 19.701 -25.017 25.683 1.00 74.45 N ATOM 0 H HIS A 18 21.583 -24.319 21.412 1.00 43.51 H new ATOM 0 HA HIS A 18 19.004 -25.761 21.589 1.00 22.43 H new ATOM 0 HB2 HIS A 18 19.689 -22.806 21.987 1.00 70.50 H new ATOM 0 HB3 HIS A 18 18.067 -23.468 22.030 1.00 70.50 H new ATOM 0 HD2 HIS A 18 19.877 -26.150 23.808 1.00 21.11 H new ATOM 0 HE1 HIS A 18 19.304 -23.251 26.822 1.00 21.41 H new ATOM 0 HE2 HIS A 18 19.937 -25.700 26.402 1.00 74.45 H new ATOM 295 N THR A 19 18.417 -25.205 19.222 1.00 71.41 N ATOM 296 CA THR A 19 18.044 -24.889 17.855 1.00 41.11 C ATOM 297 C THR A 19 16.764 -24.051 17.881 1.00 2.13 C ATOM 298 O THR A 19 15.810 -24.394 18.580 1.00 64.45 O ATOM 299 CB THR A 19 17.826 -26.190 17.063 1.00 2.14 C ATOM 300 OG1 THR A 19 18.922 -27.088 17.302 1.00 11.24 O ATOM 301 CG2 THR A 19 17.734 -25.883 15.561 1.00 20.53 C ATOM 0 H THR A 19 17.939 -26.016 19.614 1.00 71.41 H new ATOM 0 HA THR A 19 18.837 -24.322 17.367 1.00 41.11 H new ATOM 0 HB THR A 19 16.895 -26.653 17.390 1.00 2.14 H new ATOM 0 HG1 THR A 19 19.768 -26.623 17.134 1.00 11.24 H new ATOM 0 HG21 THR A 19 17.580 -26.810 15.009 1.00 20.53 H new ATOM 0 HG22 THR A 19 16.898 -25.208 15.378 1.00 20.53 H new ATOM 0 HG23 THR A 19 18.659 -25.412 15.228 1.00 20.53 H new ATOM 309 N VAL A 20 16.818 -22.883 17.274 1.00 62.44 N ATOM 310 CA VAL A 20 15.732 -21.921 17.353 1.00 2.05 C ATOM 311 C VAL A 20 15.356 -21.421 15.964 1.00 1.51 C ATOM 312 O VAL A 20 16.166 -21.465 15.040 1.00 15.42 O ATOM 313 CB VAL A 20 16.166 -20.735 18.236 1.00 22.23 C ATOM 314 CG1 VAL A 20 14.949 -19.908 18.666 1.00 41.33 C ATOM 315 CG2 VAL A 20 16.894 -21.257 19.481 1.00 52.53 C ATOM 0 H VAL A 20 17.612 -22.572 16.714 1.00 62.44 H new ATOM 0 HA VAL A 20 14.860 -22.407 17.791 1.00 2.05 H new ATOM 0 HB VAL A 20 16.836 -20.099 17.657 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.276 -19.075 19.289 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.441 -19.522 17.782 1.00 41.33 H new ATOM 0 HG13 VAL A 20 14.263 -20.537 19.233 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.200 -20.416 20.103 1.00 52.53 H new ATOM 0 HG22 VAL A 20 16.226 -21.904 20.049 1.00 52.53 H new ATOM 0 HG23 VAL A 20 17.775 -21.822 19.177 1.00 52.53 H new ATOM 325 N THR A 21 14.169 -20.860 15.853 1.00 63.53 N ATOM 326 CA THR A 21 13.713 -20.251 14.615 1.00 44.25 C ATOM 327 C THR A 21 13.506 -18.763 14.850 1.00 12.41 C ATOM 328 O THR A 21 12.797 -18.376 15.790 1.00 11.33 O ATOM 329 CB THR A 21 12.378 -20.887 14.178 1.00 65.22 C ATOM 330 OG1 THR A 21 12.530 -22.302 14.079 1.00 25.54 O ATOM 331 CG2 THR A 21 11.940 -20.318 12.817 1.00 10.42 C ATOM 0 H THR A 21 13.493 -20.812 16.615 1.00 63.53 H new ATOM 0 HA THR A 21 14.456 -20.410 13.834 1.00 44.25 H new ATOM 0 HB THR A 21 11.615 -20.655 14.921 1.00 65.22 H new ATOM 0 HG1 THR A 21 11.680 -22.704 13.803 1.00 25.54 H new ATOM 0 HG21 THR A 21 10.996 -20.774 12.519 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.811 -19.239 12.898 1.00 10.42 H new ATOM 0 HG23 THR A 21 12.702 -20.537 12.069 1.00 10.42 H new ATOM 339 N ILE A 22 14.064 -17.934 13.986 1.00 41.12 N ATOM 340 CA ILE A 22 13.849 -16.502 14.091 1.00 63.41 C ATOM 341 C ILE A 22 13.269 -15.985 12.792 1.00 15.43 C ATOM 342 O ILE A 22 13.418 -16.623 11.734 1.00 50.41 O ATOM 343 CB ILE A 22 15.149 -15.757 14.440 1.00 35.34 C ATOM 344 CG1 ILE A 22 16.171 -15.936 13.319 1.00 65.05 C ATOM 345 CG2 ILE A 22 15.727 -16.307 15.750 1.00 31.40 C ATOM 346 CD1 ILE A 22 17.390 -15.049 13.593 1.00 75.44 C ATOM 0 H ILE A 22 14.663 -18.223 13.212 1.00 41.12 H new ATOM 0 HA ILE A 22 13.145 -16.317 14.903 1.00 63.41 H new ATOM 0 HB ILE A 22 14.927 -14.696 14.558 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.475 -16.981 13.253 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.725 -15.673 12.360 1.00 65.05 H new ATOM 0 HG21 ILE A 22 16.648 -15.776 15.993 1.00 31.40 H new ATOM 0 HG22 ILE A 22 15.004 -16.167 16.554 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.940 -17.370 15.636 1.00 31.40 H new ATOM 0 HD11 ILE A 22 18.120 -15.176 12.793 1.00 75.44 H new ATOM 0 HD12 ILE A 22 17.078 -14.005 13.637 1.00 75.44 H new ATOM 0 HD13 ILE A 22 17.841 -15.333 14.544 1.00 75.44 H new ATOM 358 N TRP A 23 12.536 -14.898 12.883 1.00 51.20 N ATOM 359 CA TRP A 23 11.825 -14.360 11.746 1.00 45.54 C ATOM 360 C TRP A 23 12.438 -13.036 11.317 1.00 3.15 C ATOM 361 O TRP A 23 12.607 -12.125 12.140 1.00 71.12 O ATOM 362 CB TRP A 23 10.355 -14.147 12.133 1.00 14.21 C ATOM 363 CG TRP A 23 9.833 -15.374 12.831 1.00 32.22 C ATOM 364 CD1 TRP A 23 10.009 -15.649 14.145 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.055 -16.479 12.290 1.00 53.12 C ATOM 366 NE1 TRP A 23 9.401 -16.854 14.435 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.800 -17.401 13.328 1.00 64.15 C ATOM 368 CE3 TRP A 23 8.555 -16.771 11.014 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.077 -18.567 13.109 1.00 24.32 C ATOM 370 CZ3 TRP A 23 7.821 -17.946 10.789 1.00 74.51 C ATOM 371 CH2 TRP A 23 7.584 -18.841 11.835 1.00 12.23 C ATOM 0 H TRP A 23 12.416 -14.364 13.744 1.00 51.20 H new ATOM 0 HA TRP A 23 11.894 -15.060 10.914 1.00 45.54 H new ATOM 0 HB2 TRP A 23 10.262 -13.278 12.785 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.760 -13.942 11.243 1.00 14.21 H new ATOM 0 HD1 TRP A 23 10.539 -15.027 14.851 1.00 44.21 H new ATOM 0 HE1 TRP A 23 9.398 -17.286 15.359 1.00 24.00 H new ATOM 0 HE3 TRP A 23 8.736 -16.087 10.198 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 7.898 -19.256 13.921 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 7.438 -18.159 9.802 1.00 74.51 H new ATOM 0 HH2 TRP A 23 7.019 -19.744 11.656 1.00 12.23 H new ATOM 382 N LEU A 24 12.731 -12.917 10.031 1.00 44.10 N ATOM 383 CA LEU A 24 13.258 -11.677 9.463 1.00 40.20 C ATOM 384 C LEU A 24 12.335 -11.182 8.359 1.00 52.40 C ATOM 385 O LEU A 24 11.964 -11.959 7.474 1.00 21.24 O ATOM 386 CB LEU A 24 14.658 -11.914 8.870 1.00 70.54 C ATOM 387 CG LEU A 24 15.628 -12.423 9.953 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.989 -12.723 9.322 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.810 -11.354 11.036 1.00 21.54 C ATOM 0 H LEU A 24 12.613 -13.669 9.352 1.00 44.10 H new ATOM 0 HA LEU A 24 13.321 -10.933 10.257 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.597 -12.640 8.059 1.00 70.54 H new ATOM 0 HB3 LEU A 24 15.038 -10.987 8.440 1.00 70.54 H new ATOM 0 HG LEU A 24 15.216 -13.329 10.398 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.674 -13.083 10.089 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.873 -13.486 8.552 1.00 42.21 H new ATOM 0 HD13 LEU A 24 17.391 -11.814 8.874 1.00 42.21 H new ATOM 0 HD21 LEU A 24 16.497 -11.721 11.798 1.00 21.54 H new ATOM 0 HD22 LEU A 24 16.216 -10.447 10.588 1.00 21.54 H new ATOM 0 HD23 LEU A 24 14.846 -11.132 11.494 1.00 21.54 H new ATOM 401 N THR A 25 12.063 -9.881 8.333 1.00 32.11 N ATOM 402 CA THR A 25 11.303 -9.302 7.228 1.00 20.03 C ATOM 403 C THR A 25 12.244 -8.464 6.367 1.00 15.11 C ATOM 404 O THR A 25 12.886 -7.538 6.870 1.00 30.42 O ATOM 405 CB THR A 25 10.156 -8.419 7.748 1.00 11.33 C ATOM 406 OG1 THR A 25 9.716 -8.877 9.031 1.00 74.12 O ATOM 407 CG2 THR A 25 8.979 -8.469 6.764 1.00 51.01 C ATOM 0 H THR A 25 12.351 -9.216 9.051 1.00 32.11 H new ATOM 0 HA THR A 25 10.868 -10.110 6.639 1.00 20.03 H new ATOM 0 HB THR A 25 10.519 -7.395 7.840 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.987 -8.305 9.350 1.00 74.12 H new ATOM 0 HG21 THR A 25 8.168 -7.843 7.135 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.303 -8.103 5.790 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.629 -9.497 6.668 1.00 51.01 H new ATOM 415 N VAL A 26 12.360 -8.816 5.098 1.00 24.42 N ATOM 416 CA VAL A 26 13.278 -8.134 4.183 1.00 0.53 C ATOM 417 C VAL A 26 12.790 -8.269 2.760 1.00 14.44 C ATOM 418 O VAL A 26 11.784 -8.903 2.525 1.00 61.52 O ATOM 419 CB VAL A 26 14.678 -8.748 4.301 1.00 60.45 C ATOM 420 CG1 VAL A 26 15.298 -8.356 5.633 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.579 -10.280 4.219 1.00 64.00 C ATOM 0 H VAL A 26 11.829 -9.574 4.670 1.00 24.42 H new ATOM 0 HA VAL A 26 13.319 -7.078 4.449 1.00 0.53 H new ATOM 0 HB VAL A 26 15.301 -8.378 3.486 1.00 60.45 H new ATOM 0 HG11 VAL A 26 16.293 -8.794 5.714 1.00 14.20 H new ATOM 0 HG12 VAL A 26 15.373 -7.270 5.694 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.673 -8.723 6.447 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.575 -10.714 4.303 1.00 64.00 H new ATOM 0 HG22 VAL A 26 13.953 -10.648 5.032 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.138 -10.566 3.264 1.00 64.00 H new ATOM 431 N ARG A 27 13.594 -7.824 1.809 1.00 33.21 N ATOM 432 CA ARG A 27 13.308 -8.062 0.401 1.00 4.21 C ATOM 433 C ARG A 27 14.343 -9.019 -0.163 1.00 3.32 C ATOM 434 O ARG A 27 15.487 -9.033 0.289 1.00 72.11 O ATOM 435 CB ARG A 27 13.295 -6.750 -0.418 1.00 30.33 C ATOM 436 CG ARG A 27 14.240 -5.713 0.203 1.00 13.41 C ATOM 437 CD ARG A 27 13.530 -4.992 1.352 1.00 0.42 C ATOM 438 NE ARG A 27 13.951 -3.592 1.434 1.00 5.44 N ATOM 439 CZ ARG A 27 13.768 -2.875 2.551 1.00 52.45 C ATOM 440 NH1 ARG A 27 13.126 -3.398 3.560 1.00 55.30 N ATOM 441 NH2 ARG A 27 14.196 -1.642 2.615 1.00 23.52 N ATOM 0 H ARG A 27 14.449 -7.296 1.984 1.00 33.21 H new ATOM 0 HA ARG A 27 12.312 -8.499 0.326 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.596 -6.954 -1.446 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.282 -6.349 -0.456 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.142 -6.202 0.570 1.00 13.41 H new ATOM 0 HG3 ARG A 27 14.553 -4.993 -0.553 1.00 13.41 H new ATOM 0 HD2 ARG A 27 12.451 -5.043 1.206 1.00 0.42 H new ATOM 0 HD3 ARG A 27 13.749 -5.497 2.293 1.00 0.42 H new ATOM 0 HE ARG A 27 14.392 -3.154 0.625 1.00 5.44 H new ATOM 0 HH11 ARG A 27 12.765 -4.350 3.497 1.00 55.30 H new ATOM 0 HH12 ARG A 27 12.985 -2.855 4.412 1.00 55.30 H new ATOM 0 HH21 ARG A 27 14.670 -1.224 1.814 1.00 23.52 H new ATOM 0 HH22 ARG A 27 14.056 -1.097 3.466 1.00 23.52 H new ATOM 455 N PRO A 28 13.999 -9.767 -1.176 1.00 70.42 N ATOM 456 CA PRO A 28 14.950 -10.730 -1.818 1.00 2.44 C ATOM 457 C PRO A 28 16.217 -10.013 -2.274 1.00 10.52 C ATOM 458 O PRO A 28 17.292 -10.620 -2.397 1.00 73.22 O ATOM 459 CB PRO A 28 14.168 -11.244 -3.035 1.00 63.31 C ATOM 460 CG PRO A 28 12.730 -11.053 -2.681 1.00 53.01 C ATOM 461 CD PRO A 28 12.670 -9.788 -1.826 1.00 50.41 C ATOM 0 HA PRO A 28 15.270 -11.523 -1.142 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.430 -10.688 -3.935 1.00 63.31 H new ATOM 0 HB3 PRO A 28 14.390 -12.293 -3.232 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.118 -10.947 -3.577 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.346 -11.913 -2.132 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.502 -8.898 -2.432 1.00 50.41 H new ATOM 0 HD3 PRO A 28 11.863 -9.832 -1.095 1.00 50.41 H new ATOM 469 N ASP A 29 16.062 -8.730 -2.553 1.00 21.24 N ATOM 470 CA ASP A 29 17.149 -7.889 -3.031 1.00 42.34 C ATOM 471 C ASP A 29 18.212 -7.688 -1.973 1.00 22.22 C ATOM 472 O ASP A 29 19.355 -7.354 -2.289 1.00 73.13 O ATOM 473 CB ASP A 29 16.633 -6.536 -3.519 1.00 0.01 C ATOM 474 CG ASP A 29 17.788 -5.711 -4.049 1.00 62.22 C ATOM 475 OD1 ASP A 29 18.425 -6.153 -4.982 1.00 43.24 O ATOM 476 OD2 ASP A 29 18.023 -4.646 -3.519 1.00 21.43 O ATOM 0 H ASP A 29 15.174 -8.239 -2.454 1.00 21.24 H new ATOM 0 HA ASP A 29 17.603 -8.412 -3.873 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.888 -6.681 -4.301 1.00 0.01 H new ATOM 0 HB3 ASP A 29 16.140 -6.008 -2.703 1.00 0.01 H new ATOM 481 N MET A 30 17.829 -7.819 -0.716 1.00 31.25 N ATOM 482 CA MET A 30 18.780 -7.609 0.357 1.00 25.12 C ATOM 483 C MET A 30 19.953 -8.542 0.249 1.00 64.13 C ATOM 484 O MET A 30 19.844 -9.661 -0.266 1.00 62.13 O ATOM 485 CB MET A 30 18.139 -7.733 1.738 1.00 2.42 C ATOM 486 CG MET A 30 17.579 -6.377 2.170 1.00 11.34 C ATOM 487 SD MET A 30 16.813 -6.551 3.797 1.00 52.43 S ATOM 488 CE MET A 30 18.327 -6.953 4.715 1.00 61.23 C ATOM 0 H MET A 30 16.885 -8.065 -0.418 1.00 31.25 H new ATOM 0 HA MET A 30 19.137 -6.585 0.246 1.00 25.12 H new ATOM 0 HB2 MET A 30 17.342 -8.476 1.714 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.876 -8.080 2.462 1.00 2.42 H new ATOM 0 HG2 MET A 30 18.376 -5.634 2.206 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.846 -6.023 1.444 1.00 11.34 H new ATOM 0 HE1 MET A 30 18.244 -7.957 5.132 1.00 61.23 H new ATOM 0 HE2 MET A 30 19.183 -6.910 4.042 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.464 -6.234 5.523 1.00 61.23 H new ATOM 498 N THR A 31 21.061 -8.078 0.747 1.00 12.23 N ATOM 499 CA THR A 31 22.270 -8.830 0.785 1.00 31.41 C ATOM 500 C THR A 31 22.380 -9.535 2.146 1.00 44.04 C ATOM 501 O THR A 31 21.775 -9.100 3.131 1.00 12.01 O ATOM 502 CB THR A 31 23.454 -7.873 0.504 1.00 25.42 C ATOM 503 OG1 THR A 31 23.779 -7.893 -0.891 1.00 20.13 O ATOM 504 CG2 THR A 31 24.667 -8.258 1.316 1.00 40.23 C ATOM 0 H THR A 31 21.146 -7.143 1.146 1.00 12.23 H new ATOM 0 HA THR A 31 22.284 -9.606 0.020 1.00 31.41 H new ATOM 0 HB THR A 31 23.153 -6.866 0.793 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.461 -8.577 -1.058 1.00 20.13 H new ATOM 0 HG21 THR A 31 25.484 -7.569 1.099 1.00 40.23 H new ATOM 0 HG22 THR A 31 24.424 -8.210 2.378 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.970 -9.273 1.058 1.00 40.23 H new ATOM 512 N VAL A 32 23.099 -10.646 2.188 1.00 60.15 N ATOM 513 CA VAL A 32 23.214 -11.415 3.419 1.00 10.31 C ATOM 514 C VAL A 32 23.838 -10.548 4.509 1.00 54.12 C ATOM 515 O VAL A 32 23.320 -10.467 5.622 1.00 54.33 O ATOM 516 CB VAL A 32 24.044 -12.690 3.179 1.00 44.23 C ATOM 517 CG1 VAL A 32 24.284 -13.425 4.501 1.00 71.12 C ATOM 518 CG2 VAL A 32 23.295 -13.621 2.216 1.00 24.05 C ATOM 0 H VAL A 32 23.607 -11.033 1.393 1.00 60.15 H new ATOM 0 HA VAL A 32 22.221 -11.722 3.747 1.00 10.31 H new ATOM 0 HB VAL A 32 25.003 -12.405 2.747 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.872 -14.324 4.316 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.825 -12.773 5.187 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.327 -13.702 4.942 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.885 -14.522 2.048 1.00 24.05 H new ATOM 0 HG22 VAL A 32 22.332 -13.893 2.648 1.00 24.05 H new ATOM 0 HG23 VAL A 32 23.135 -13.110 1.266 1.00 24.05 H new ATOM 528 N ALA A 33 24.891 -9.824 4.155 1.00 53.45 N ATOM 529 CA ALA A 33 25.519 -8.901 5.095 1.00 55.04 C ATOM 530 C ALA A 33 24.470 -7.962 5.661 1.00 52.23 C ATOM 531 O ALA A 33 24.451 -7.680 6.860 1.00 54.14 O ATOM 532 CB ALA A 33 26.604 -8.079 4.393 1.00 50.32 C ATOM 0 H ALA A 33 25.326 -9.856 3.233 1.00 53.45 H new ATOM 0 HA ALA A 33 25.975 -9.478 5.900 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.062 -7.396 5.108 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.365 -8.748 3.992 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.158 -7.507 3.579 1.00 50.32 H new ATOM 538 N SER A 34 23.564 -7.535 4.804 1.00 20.42 N ATOM 539 CA SER A 34 22.487 -6.660 5.200 1.00 42.23 C ATOM 540 C SER A 34 21.629 -7.322 6.281 1.00 51.41 C ATOM 541 O SER A 34 21.239 -6.673 7.256 1.00 74.05 O ATOM 542 CB SER A 34 21.641 -6.312 3.975 1.00 22.13 C ATOM 543 OG SER A 34 22.502 -6.126 2.845 1.00 22.31 O ATOM 0 H SER A 34 23.557 -7.786 3.815 1.00 20.42 H new ATOM 0 HA SER A 34 22.903 -5.743 5.618 1.00 42.23 H new ATOM 0 HB2 SER A 34 20.925 -7.109 3.774 1.00 22.13 H new ATOM 0 HB3 SER A 34 21.065 -5.406 4.162 1.00 22.13 H new ATOM 0 HG SER A 34 22.033 -5.608 2.158 1.00 22.31 H new ATOM 549 N LEU A 35 21.384 -8.628 6.138 1.00 42.51 N ATOM 550 CA LEU A 35 20.614 -9.371 7.143 1.00 60.21 C ATOM 551 C LEU A 35 21.306 -9.372 8.480 1.00 12.50 C ATOM 552 O LEU A 35 20.666 -9.231 9.527 1.00 51.11 O ATOM 553 CB LEU A 35 20.422 -10.827 6.724 1.00 20.44 C ATOM 554 CG LEU A 35 19.295 -10.966 5.727 1.00 63.51 C ATOM 555 CD1 LEU A 35 19.204 -12.433 5.312 1.00 4.13 C ATOM 556 CD2 LEU A 35 17.992 -10.559 6.402 1.00 72.44 C ATOM 0 H LEU A 35 21.703 -9.188 5.347 1.00 42.51 H new ATOM 0 HA LEU A 35 19.650 -8.868 7.223 1.00 60.21 H new ATOM 0 HB2 LEU A 35 21.346 -11.207 6.288 1.00 20.44 H new ATOM 0 HB3 LEU A 35 20.210 -11.436 7.603 1.00 20.44 H new ATOM 0 HG LEU A 35 19.473 -10.336 4.856 1.00 63.51 H new ATOM 0 HD11 LEU A 35 18.396 -12.558 4.591 1.00 4.13 H new ATOM 0 HD12 LEU A 35 20.146 -12.742 4.858 1.00 4.13 H new ATOM 0 HD13 LEU A 35 19.005 -13.048 6.190 1.00 4.13 H new ATOM 0 HD21 LEU A 35 17.170 -10.655 5.693 1.00 72.44 H new ATOM 0 HD22 LEU A 35 17.809 -11.206 7.260 1.00 72.44 H new ATOM 0 HD23 LEU A 35 18.064 -9.524 6.737 1.00 72.44 H new ATOM 568 N LYS A 36 22.599 -9.585 8.450 1.00 34.21 N ATOM 569 CA LYS A 36 23.362 -9.700 9.670 1.00 44.21 C ATOM 570 C LYS A 36 23.248 -8.437 10.482 1.00 31.00 C ATOM 571 O LYS A 36 23.094 -8.491 11.714 1.00 33.33 O ATOM 572 CB LYS A 36 24.821 -10.020 9.354 1.00 43.15 C ATOM 573 CG LYS A 36 24.966 -11.521 9.036 1.00 4.03 C ATOM 574 CD LYS A 36 25.194 -11.724 7.534 1.00 65.42 C ATOM 575 CE LYS A 36 26.641 -12.143 7.280 1.00 65.21 C ATOM 576 NZ LYS A 36 27.546 -11.022 7.627 1.00 35.45 N ATOM 0 H LYS A 36 23.146 -9.682 7.594 1.00 34.21 H new ATOM 0 HA LYS A 36 22.956 -10.519 10.263 1.00 44.21 H new ATOM 0 HB2 LYS A 36 25.159 -9.424 8.506 1.00 43.15 H new ATOM 0 HB3 LYS A 36 25.453 -9.755 10.201 1.00 43.15 H new ATOM 0 HG2 LYS A 36 25.801 -11.940 9.598 1.00 4.03 H new ATOM 0 HG3 LYS A 36 24.069 -12.055 9.351 1.00 4.03 H new ATOM 0 HD2 LYS A 36 24.513 -12.486 7.154 1.00 65.42 H new ATOM 0 HD3 LYS A 36 24.973 -10.802 6.996 1.00 65.42 H new ATOM 0 HE2 LYS A 36 26.887 -13.021 7.877 1.00 65.21 H new ATOM 0 HE3 LYS A 36 26.773 -12.421 6.234 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 28.346 -11.004 6.963 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 27.025 -10.124 7.566 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 27.903 -11.151 8.595 1.00 35.45 H new ATOM 590 N ASP A 37 23.269 -7.307 9.807 1.00 21.40 N ATOM 591 CA ASP A 37 23.107 -6.052 10.497 1.00 31.33 C ATOM 592 C ASP A 37 21.760 -6.004 11.200 1.00 3.04 C ATOM 593 O ASP A 37 21.702 -5.806 12.409 1.00 73.14 O ATOM 594 CB ASP A 37 23.241 -4.874 9.532 1.00 1.34 C ATOM 595 CG ASP A 37 23.335 -3.576 10.313 1.00 74.31 C ATOM 596 OD1 ASP A 37 24.295 -3.422 11.050 1.00 52.50 O ATOM 597 OD2 ASP A 37 22.459 -2.754 10.163 1.00 11.04 O ATOM 0 H ASP A 37 23.395 -7.234 8.797 1.00 21.40 H new ATOM 0 HA ASP A 37 23.898 -5.973 11.243 1.00 31.33 H new ATOM 0 HB2 ASP A 37 24.128 -5.000 8.911 1.00 1.34 H new ATOM 0 HB3 ASP A 37 22.383 -4.843 8.860 1.00 1.34 H new ATOM 602 N MET A 38 20.679 -6.319 10.477 1.00 34.44 N ATOM 603 CA MET A 38 19.356 -6.302 11.102 1.00 41.13 C ATOM 604 C MET A 38 19.334 -7.293 12.217 1.00 34.34 C ATOM 605 O MET A 38 18.774 -7.042 13.270 1.00 71.22 O ATOM 606 CB MET A 38 18.235 -6.693 10.154 1.00 41.21 C ATOM 607 CG MET A 38 18.606 -6.483 8.700 1.00 23.15 C ATOM 608 SD MET A 38 17.161 -6.909 7.695 1.00 32.15 S ATOM 609 CE MET A 38 16.823 -8.533 8.442 1.00 74.35 C ATOM 0 H MET A 38 20.692 -6.580 9.491 1.00 34.44 H new ATOM 0 HA MET A 38 19.190 -5.278 11.435 1.00 41.13 H new ATOM 0 HB2 MET A 38 17.978 -7.740 10.313 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.346 -6.108 10.387 1.00 41.21 H new ATOM 0 HG2 MET A 38 18.901 -5.448 8.526 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.458 -7.107 8.429 1.00 23.15 H new ATOM 0 HE1 MET A 38 16.273 -9.152 7.733 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.765 -9.020 8.694 1.00 74.35 H new ATOM 0 HE3 MET A 38 16.229 -8.401 9.346 1.00 74.35 H new ATOM 619 N VAL A 39 19.933 -8.439 11.973 1.00 14.41 N ATOM 620 CA VAL A 39 19.957 -9.479 12.972 1.00 25.32 C ATOM 621 C VAL A 39 20.594 -8.908 14.222 1.00 51.44 C ATOM 622 O VAL A 39 20.054 -9.042 15.324 1.00 21.33 O ATOM 623 CB VAL A 39 20.730 -10.712 12.461 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.849 -11.773 13.567 1.00 41.14 C ATOM 625 CG2 VAL A 39 20.001 -11.316 11.251 1.00 65.31 C ATOM 0 H VAL A 39 20.405 -8.670 11.099 1.00 14.41 H new ATOM 0 HA VAL A 39 18.944 -9.813 13.194 1.00 25.32 H new ATOM 0 HB VAL A 39 21.731 -10.396 12.168 1.00 31.13 H new ATOM 0 HG11 VAL A 39 21.397 -12.635 13.187 1.00 41.14 H new ATOM 0 HG12 VAL A 39 21.381 -11.352 14.420 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.853 -12.086 13.880 1.00 41.14 H new ATOM 0 HG21 VAL A 39 20.550 -12.187 10.893 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.995 -11.617 11.545 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.939 -10.573 10.455 1.00 65.31 H new ATOM 635 N PHE A 40 21.661 -8.148 14.036 1.00 3.12 N ATOM 636 CA PHE A 40 22.233 -7.426 15.141 1.00 33.42 C ATOM 637 C PHE A 40 21.234 -6.427 15.691 1.00 2.10 C ATOM 638 O PHE A 40 21.073 -6.310 16.896 1.00 42.22 O ATOM 639 CB PHE A 40 23.516 -6.707 14.740 1.00 31.43 C ATOM 640 CG PHE A 40 24.020 -5.932 15.929 1.00 13.33 C ATOM 641 CD1 PHE A 40 24.495 -6.611 17.057 1.00 13.01 C ATOM 642 CD2 PHE A 40 23.992 -4.536 15.914 1.00 43.21 C ATOM 643 CE1 PHE A 40 24.945 -5.893 18.166 1.00 61.34 C ATOM 644 CE2 PHE A 40 24.439 -3.819 17.024 1.00 33.14 C ATOM 645 CZ PHE A 40 24.917 -4.497 18.149 1.00 34.32 C ATOM 0 H PHE A 40 22.136 -8.021 13.142 1.00 3.12 H new ATOM 0 HA PHE A 40 22.482 -8.153 15.914 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.266 -7.426 14.411 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.328 -6.036 13.902 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.513 -7.691 17.069 1.00 13.01 H new ATOM 0 HD2 PHE A 40 23.625 -4.012 15.044 1.00 43.21 H new ATOM 0 HE1 PHE A 40 25.314 -6.416 19.036 1.00 61.34 H new ATOM 0 HE2 PHE A 40 24.416 -2.739 17.014 1.00 33.14 H new ATOM 0 HZ PHE A 40 25.265 -3.940 19.006 1.00 34.32 H new ATOM 655 N LEU A 41 20.594 -5.678 14.803 1.00 22.50 N ATOM 656 CA LEU A 41 19.660 -4.638 15.235 1.00 60.20 C ATOM 657 C LEU A 41 18.524 -5.280 15.988 1.00 62.30 C ATOM 658 O LEU A 41 18.028 -4.748 16.986 1.00 2.04 O ATOM 659 CB LEU A 41 19.042 -3.947 14.010 1.00 64.43 C ATOM 660 CG LEU A 41 20.122 -3.271 13.179 1.00 14.35 C ATOM 661 CD1 LEU A 41 19.507 -2.637 11.931 1.00 15.13 C ATOM 662 CD2 LEU A 41 20.851 -2.221 14.005 1.00 2.24 C ATOM 0 H LEU A 41 20.699 -5.766 13.792 1.00 22.50 H new ATOM 0 HA LEU A 41 20.200 -3.921 15.853 1.00 60.20 H new ATOM 0 HB2 LEU A 41 18.511 -4.679 13.401 1.00 64.43 H new ATOM 0 HB3 LEU A 41 18.308 -3.209 14.333 1.00 64.43 H new ATOM 0 HG LEU A 41 20.845 -4.025 12.868 1.00 14.35 H new ATOM 0 HD11 LEU A 41 20.289 -2.156 11.344 1.00 15.13 H new ATOM 0 HD12 LEU A 41 19.025 -3.409 11.331 1.00 15.13 H new ATOM 0 HD13 LEU A 41 18.767 -1.894 12.228 1.00 15.13 H new ATOM 0 HD21 LEU A 41 21.620 -1.748 13.395 1.00 2.24 H new ATOM 0 HD22 LEU A 41 20.141 -1.467 14.343 1.00 2.24 H new ATOM 0 HD23 LEU A 41 21.315 -2.696 14.869 1.00 2.24 H new ATOM 674 N ASP A 42 18.048 -6.366 15.430 1.00 3.40 N ATOM 675 CA ASP A 42 16.885 -7.064 15.959 1.00 20.53 C ATOM 676 C ASP A 42 17.237 -7.905 17.175 1.00 55.41 C ATOM 677 O ASP A 42 16.489 -7.933 18.157 1.00 3.34 O ATOM 678 CB ASP A 42 16.244 -7.951 14.868 1.00 22.22 C ATOM 679 CG ASP A 42 14.795 -8.290 15.215 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.115 -7.443 15.759 1.00 75.41 O ATOM 681 OD2 ASP A 42 14.370 -9.385 14.912 1.00 72.43 O ATOM 0 H ASP A 42 18.450 -6.796 14.597 1.00 3.40 H new ATOM 0 HA ASP A 42 16.166 -6.307 16.273 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.280 -7.435 13.908 1.00 22.22 H new ATOM 0 HB3 ASP A 42 16.819 -8.870 14.758 1.00 22.22 H new ATOM 686 N TYR A 43 18.307 -8.686 17.067 1.00 32.23 N ATOM 687 CA TYR A 43 18.639 -9.644 18.120 1.00 3.43 C ATOM 688 C TYR A 43 19.912 -9.278 18.872 1.00 54.44 C ATOM 689 O TYR A 43 20.320 -10.002 19.780 1.00 52.22 O ATOM 690 CB TYR A 43 18.810 -11.039 17.516 1.00 12.45 C ATOM 691 CG TYR A 43 17.571 -11.422 16.745 1.00 32.24 C ATOM 692 CD1 TYR A 43 16.430 -11.858 17.418 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.572 -11.337 15.352 1.00 13.44 C ATOM 694 CE1 TYR A 43 15.289 -12.211 16.695 1.00 60.33 C ATOM 695 CE2 TYR A 43 16.436 -11.690 14.630 1.00 50.22 C ATOM 696 CZ TYR A 43 15.292 -12.127 15.302 1.00 33.42 C ATOM 697 OH TYR A 43 14.167 -12.477 14.590 1.00 11.32 O ATOM 0 H TYR A 43 18.951 -8.677 16.276 1.00 32.23 H new ATOM 0 HA TYR A 43 17.814 -9.625 18.832 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.678 -11.055 16.857 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.996 -11.766 18.306 1.00 12.45 H new ATOM 0 HD1 TYR A 43 16.429 -11.922 18.496 1.00 32.13 H new ATOM 0 HD2 TYR A 43 18.456 -10.997 14.833 1.00 13.44 H new ATOM 0 HE1 TYR A 43 14.404 -12.549 17.214 1.00 60.33 H new ATOM 0 HE2 TYR A 43 16.439 -11.626 13.552 1.00 50.22 H new ATOM 0 HH TYR A 43 14.148 -11.983 13.744 1.00 11.32 H new ATOM 707 N GLY A 44 20.591 -8.227 18.456 1.00 13.32 N ATOM 708 CA GLY A 44 21.861 -7.881 19.087 1.00 51.52 C ATOM 709 C GLY A 44 22.877 -8.989 18.844 1.00 41.34 C ATOM 710 O GLY A 44 23.801 -9.185 19.635 1.00 41.15 O ATOM 0 H GLY A 44 20.298 -7.606 17.701 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.233 -6.939 18.684 1.00 51.52 H new ATOM 0 HA3 GLY A 44 21.718 -7.735 20.158 1.00 51.52 H new ATOM 714 N PHE A 45 22.657 -9.759 17.781 1.00 73.22 N ATOM 715 CA PHE A 45 23.518 -10.895 17.460 1.00 0.40 C ATOM 716 C PHE A 45 24.876 -10.418 16.957 1.00 12.32 C ATOM 717 O PHE A 45 24.952 -9.679 15.966 1.00 44.25 O ATOM 718 CB PHE A 45 22.852 -11.809 16.414 1.00 13.01 C ATOM 719 CG PHE A 45 21.977 -12.856 17.097 1.00 55.55 C ATOM 720 CD1 PHE A 45 21.421 -12.610 18.363 1.00 31.22 C ATOM 721 CD2 PHE A 45 21.721 -14.077 16.454 1.00 43.54 C ATOM 722 CE1 PHE A 45 20.618 -13.576 18.977 1.00 2.11 C ATOM 723 CE2 PHE A 45 20.914 -15.042 17.073 1.00 74.25 C ATOM 724 CZ PHE A 45 20.364 -14.791 18.332 1.00 11.12 C ATOM 0 H PHE A 45 21.888 -9.617 17.126 1.00 73.22 H new ATOM 0 HA PHE A 45 23.670 -11.470 18.373 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.248 -11.211 15.732 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.617 -12.302 15.814 1.00 13.01 H new ATOM 0 HD1 PHE A 45 21.614 -11.673 18.863 1.00 31.22 H new ATOM 0 HD2 PHE A 45 22.146 -14.273 15.481 1.00 43.54 H new ATOM 0 HE1 PHE A 45 20.193 -13.384 19.951 1.00 2.11 H new ATOM 0 HE2 PHE A 45 20.717 -15.980 16.576 1.00 74.25 H new ATOM 0 HZ PHE A 45 19.742 -15.535 18.808 1.00 11.12 H new ATOM 734 N PRO A 46 25.938 -10.814 17.619 1.00 33.44 N ATOM 735 CA PRO A 46 27.329 -10.392 17.256 1.00 1.25 C ATOM 736 C PRO A 46 27.717 -10.861 15.847 1.00 72.23 C ATOM 737 O PRO A 46 27.443 -12.004 15.471 1.00 63.41 O ATOM 738 CB PRO A 46 28.207 -11.070 18.317 1.00 45.41 C ATOM 739 CG PRO A 46 27.373 -12.180 18.873 1.00 3.22 C ATOM 740 CD PRO A 46 25.928 -11.709 18.793 1.00 61.54 C ATOM 0 HA PRO A 46 27.438 -9.308 17.240 1.00 1.25 H new ATOM 0 HB2 PRO A 46 29.128 -11.453 17.878 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.494 -10.366 19.098 1.00 45.41 H new ATOM 0 HG2 PRO A 46 27.515 -13.097 18.302 1.00 3.22 H new ATOM 0 HG3 PRO A 46 27.654 -12.399 19.903 1.00 3.22 H new ATOM 0 HD2 PRO A 46 25.238 -12.542 18.660 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.623 -11.184 19.699 1.00 61.54 H new ATOM 748 N PRO A 47 28.331 -10.002 15.063 1.00 24.43 N ATOM 749 CA PRO A 47 28.683 -10.321 13.639 1.00 3.35 C ATOM 750 C PRO A 47 29.634 -11.507 13.528 1.00 32.23 C ATOM 751 O PRO A 47 29.503 -12.337 12.645 1.00 60.40 O ATOM 752 CB PRO A 47 29.361 -9.035 13.139 1.00 22.12 C ATOM 753 CG PRO A 47 29.819 -8.334 14.380 1.00 61.03 C ATOM 754 CD PRO A 47 28.767 -8.645 15.441 1.00 72.21 C ATOM 0 HA PRO A 47 27.806 -10.607 13.058 1.00 3.35 H new ATOM 0 HB2 PRO A 47 30.200 -9.261 12.480 1.00 22.12 H new ATOM 0 HB3 PRO A 47 28.666 -8.417 12.570 1.00 22.12 H new ATOM 0 HG2 PRO A 47 30.803 -8.687 14.689 1.00 61.03 H new ATOM 0 HG3 PRO A 47 29.903 -7.260 14.215 1.00 61.03 H new ATOM 0 HD2 PRO A 47 29.184 -8.618 16.448 1.00 72.21 H new ATOM 0 HD3 PRO A 47 27.943 -7.932 15.418 1.00 72.21 H new ATOM 762 N VAL A 48 30.531 -11.626 14.475 1.00 2.22 N ATOM 763 CA VAL A 48 31.480 -12.729 14.488 1.00 3.34 C ATOM 764 C VAL A 48 30.784 -14.089 14.572 1.00 13.44 C ATOM 765 O VAL A 48 31.305 -15.094 14.087 1.00 24.32 O ATOM 766 CB VAL A 48 32.514 -12.536 15.616 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.797 -12.230 16.936 1.00 44.54 C ATOM 768 CG2 VAL A 48 33.337 -13.819 15.789 1.00 41.53 C ATOM 0 H VAL A 48 30.630 -10.974 15.253 1.00 2.22 H new ATOM 0 HA VAL A 48 32.014 -12.722 13.538 1.00 3.34 H new ATOM 0 HB VAL A 48 33.169 -11.706 15.352 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.534 -12.095 17.728 1.00 44.54 H new ATOM 0 HG12 VAL A 48 31.209 -11.318 16.828 1.00 44.54 H new ATOM 0 HG13 VAL A 48 31.137 -13.059 17.192 1.00 44.54 H new ATOM 0 HG21 VAL A 48 34.066 -13.679 16.587 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.674 -14.645 16.045 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.857 -14.046 14.858 1.00 41.53 H new ATOM 778 N LEU A 49 29.619 -14.119 15.184 1.00 54.44 N ATOM 779 CA LEU A 49 28.890 -15.368 15.361 1.00 52.43 C ATOM 780 C LEU A 49 28.035 -15.689 14.144 1.00 2.01 C ATOM 781 O LEU A 49 27.303 -16.675 14.136 1.00 62.52 O ATOM 782 CB LEU A 49 28.010 -15.289 16.600 1.00 62.41 C ATOM 783 CG LEU A 49 28.869 -15.493 17.859 1.00 55.31 C ATOM 784 CD1 LEU A 49 29.758 -14.277 18.101 1.00 45.40 C ATOM 785 CD2 LEU A 49 27.970 -15.717 19.068 1.00 21.42 C ATOM 0 H LEU A 49 29.153 -13.297 15.568 1.00 54.44 H new ATOM 0 HA LEU A 49 29.622 -16.167 15.484 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.510 -14.321 16.642 1.00 62.41 H new ATOM 0 HB3 LEU A 49 27.230 -16.049 16.553 1.00 62.41 H new ATOM 0 HG LEU A 49 29.502 -16.368 17.710 1.00 55.31 H new ATOM 0 HD11 LEU A 49 30.359 -14.438 18.996 1.00 45.40 H new ATOM 0 HD12 LEU A 49 30.415 -14.130 17.244 1.00 45.40 H new ATOM 0 HD13 LEU A 49 29.136 -13.392 18.236 1.00 45.40 H new ATOM 0 HD21 LEU A 49 28.585 -15.861 19.957 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.326 -14.849 19.209 1.00 21.42 H new ATOM 0 HD23 LEU A 49 27.355 -16.602 18.905 1.00 21.42 H new ATOM 797 N GLN A 50 28.066 -14.812 13.161 1.00 62.55 N ATOM 798 CA GLN A 50 27.236 -14.955 11.962 1.00 24.52 C ATOM 799 C GLN A 50 27.535 -16.252 11.182 1.00 43.40 C ATOM 800 O GLN A 50 27.638 -16.233 9.953 1.00 65.42 O ATOM 801 CB GLN A 50 27.413 -13.732 11.045 1.00 53.50 C ATOM 802 CG GLN A 50 28.841 -13.709 10.462 1.00 42.03 C ATOM 803 CD GLN A 50 29.202 -12.298 10.014 1.00 24.14 C ATOM 804 OE1 GLN A 50 28.314 -11.469 9.798 1.00 22.04 O ATOM 805 NE2 GLN A 50 30.445 -11.967 9.865 1.00 23.53 N ATOM 0 H GLN A 50 28.660 -13.983 13.161 1.00 62.55 H new ATOM 0 HA GLN A 50 26.201 -15.016 12.297 1.00 24.52 H new ATOM 0 HB2 GLN A 50 26.682 -13.765 10.237 1.00 53.50 H new ATOM 0 HB3 GLN A 50 27.226 -12.817 11.606 1.00 53.50 H new ATOM 0 HG2 GLN A 50 29.553 -14.054 11.211 1.00 42.03 H new ATOM 0 HG3 GLN A 50 28.908 -14.395 9.618 1.00 42.03 H new ATOM 0 HE21 GLN A 50 31.180 -12.651 10.043 1.00 23.53 H new ATOM 0 HE22 GLN A 50 30.689 -11.022 9.569 1.00 23.53 H new ATOM 814 N GLN A 51 27.574 -17.378 11.870 1.00 50.00 N ATOM 815 CA GLN A 51 27.762 -18.654 11.194 1.00 5.12 C ATOM 816 C GLN A 51 26.485 -19.060 10.461 1.00 24.14 C ATOM 817 O GLN A 51 25.810 -20.028 10.835 1.00 52.33 O ATOM 818 CB GLN A 51 28.198 -19.754 12.181 1.00 32.34 C ATOM 819 CG GLN A 51 29.609 -19.463 12.712 1.00 40.52 C ATOM 820 CD GLN A 51 30.631 -19.601 11.588 1.00 13.41 C ATOM 821 OE1 GLN A 51 30.683 -20.641 10.918 1.00 2.14 O ATOM 822 NE2 GLN A 51 31.437 -18.627 11.332 1.00 64.45 N ATOM 0 H GLN A 51 27.480 -17.439 12.884 1.00 50.00 H new ATOM 0 HA GLN A 51 28.561 -18.533 10.462 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.493 -19.808 13.011 1.00 32.34 H new ATOM 0 HB3 GLN A 51 28.181 -20.725 11.685 1.00 32.34 H new ATOM 0 HG2 GLN A 51 29.649 -18.457 13.129 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.851 -20.153 13.521 1.00 40.52 H new ATOM 0 HE21 GLN A 51 31.394 -17.771 11.884 1.00 64.45 H new ATOM 0 HE22 GLN A 51 32.118 -18.713 10.577 1.00 64.45 H new ATOM 831 N TRP A 52 26.177 -18.326 9.396 1.00 42.04 N ATOM 832 CA TRP A 52 25.017 -18.622 8.557 1.00 31.04 C ATOM 833 C TRP A 52 25.341 -19.812 7.682 1.00 72.42 C ATOM 834 O TRP A 52 26.441 -19.894 7.132 1.00 1.43 O ATOM 835 CB TRP A 52 24.692 -17.424 7.644 1.00 75.43 C ATOM 836 CG TRP A 52 23.963 -16.351 8.389 1.00 45.20 C ATOM 837 CD1 TRP A 52 24.482 -15.596 9.378 1.00 33.04 C ATOM 838 CD2 TRP A 52 22.598 -15.884 8.192 1.00 51.21 C ATOM 839 NE1 TRP A 52 23.517 -14.707 9.815 1.00 11.32 N ATOM 840 CE2 TRP A 52 22.339 -14.844 9.111 1.00 62.02 C ATOM 841 CE3 TRP A 52 21.567 -16.265 7.315 1.00 64.11 C ATOM 842 CZ2 TRP A 52 21.101 -14.200 9.158 1.00 55.12 C ATOM 843 CZ3 TRP A 52 20.320 -15.619 7.359 1.00 45.22 C ATOM 844 CH2 TRP A 52 20.091 -14.590 8.279 1.00 64.43 C ATOM 0 H TRP A 52 26.718 -17.517 9.091 1.00 42.04 H new ATOM 0 HA TRP A 52 24.161 -18.829 9.199 1.00 31.04 H new ATOM 0 HB2 TRP A 52 25.616 -17.019 7.231 1.00 75.43 H new ATOM 0 HB3 TRP A 52 24.087 -17.760 6.802 1.00 75.43 H new ATOM 0 HD1 TRP A 52 25.487 -15.673 9.766 1.00 33.04 H new ATOM 0 HE1 TRP A 52 23.659 -14.032 10.566 1.00 11.32 H new ATOM 0 HE3 TRP A 52 21.735 -17.059 6.603 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.927 -13.406 9.869 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 19.535 -15.918 6.680 1.00 45.22 H new ATOM 0 HH2 TRP A 52 19.131 -14.097 8.308 1.00 64.43 H new ATOM 855 N VAL A 53 24.398 -20.713 7.522 1.00 64.50 N ATOM 856 CA VAL A 53 24.605 -21.856 6.657 1.00 13.22 C ATOM 857 C VAL A 53 23.512 -21.904 5.605 1.00 24.40 C ATOM 858 O VAL A 53 22.323 -21.972 5.935 1.00 52.11 O ATOM 859 CB VAL A 53 24.611 -23.151 7.487 1.00 15.40 C ATOM 860 CG1 VAL A 53 25.359 -24.251 6.731 1.00 70.32 C ATOM 861 CG2 VAL A 53 25.303 -22.900 8.832 1.00 70.32 C ATOM 0 H VAL A 53 23.485 -20.679 7.976 1.00 64.50 H new ATOM 0 HA VAL A 53 25.570 -21.761 6.159 1.00 13.22 H new ATOM 0 HB VAL A 53 23.582 -23.466 7.659 1.00 15.40 H new ATOM 0 HG11 VAL A 53 25.359 -25.165 7.325 1.00 70.32 H new ATOM 0 HG12 VAL A 53 24.865 -24.438 5.778 1.00 70.32 H new ATOM 0 HG13 VAL A 53 26.387 -23.935 6.551 1.00 70.32 H new ATOM 0 HG21 VAL A 53 25.305 -23.820 9.417 1.00 70.32 H new ATOM 0 HG22 VAL A 53 26.330 -22.578 8.658 1.00 70.32 H new ATOM 0 HG23 VAL A 53 24.767 -22.124 9.378 1.00 70.32 H new ATOM 871 N ILE A 54 23.916 -21.901 4.348 1.00 31.32 N ATOM 872 CA ILE A 54 22.985 -21.978 3.242 1.00 2.42 C ATOM 873 C ILE A 54 23.409 -23.119 2.324 1.00 55.44 C ATOM 874 O ILE A 54 24.550 -23.155 1.864 1.00 64.42 O ATOM 875 CB ILE A 54 22.983 -20.638 2.477 1.00 61.22 C ATOM 876 CG1 ILE A 54 22.652 -19.481 3.438 1.00 70.55 C ATOM 877 CG2 ILE A 54 21.935 -20.668 1.366 1.00 73.52 C ATOM 878 CD1 ILE A 54 21.245 -19.659 4.023 1.00 33.44 C ATOM 0 H ILE A 54 24.895 -21.845 4.068 1.00 31.32 H new ATOM 0 HA ILE A 54 21.976 -22.168 3.608 1.00 2.42 H new ATOM 0 HB ILE A 54 23.972 -20.488 2.045 1.00 61.22 H new ATOM 0 HG12 ILE A 54 23.386 -19.447 4.243 1.00 70.55 H new ATOM 0 HG13 ILE A 54 22.715 -18.530 2.909 1.00 70.55 H new ATOM 0 HG21 ILE A 54 21.943 -19.717 0.833 1.00 73.52 H new ATOM 0 HG22 ILE A 54 22.165 -21.476 0.671 1.00 73.52 H new ATOM 0 HG23 ILE A 54 20.949 -20.833 1.800 1.00 73.52 H new ATOM 0 HD11 ILE A 54 21.025 -18.834 4.700 1.00 33.44 H new ATOM 0 HD12 ILE A 54 20.514 -19.670 3.215 1.00 33.44 H new ATOM 0 HD13 ILE A 54 21.195 -20.600 4.570 1.00 33.44 H new ATOM 991 N ASP A 61 28.723 -12.785 2.562 1.00 5.24 N ATOM 992 CA ASP A 61 28.091 -11.576 3.070 1.00 62.30 C ATOM 993 C ASP A 61 27.362 -10.846 1.970 1.00 23.25 C ATOM 994 O ASP A 61 26.301 -10.290 2.193 1.00 41.02 O ATOM 995 CB ASP A 61 29.168 -10.637 3.621 1.00 4.03 C ATOM 996 CG ASP A 61 29.795 -11.220 4.853 1.00 13.24 C ATOM 997 OD1 ASP A 61 29.217 -11.096 5.907 1.00 33.05 O ATOM 998 OD2 ASP A 61 30.866 -11.771 4.731 1.00 24.14 O ATOM 0 HA ASP A 61 27.383 -11.865 3.847 1.00 62.30 H new ATOM 0 HB2 ASP A 61 29.932 -10.467 2.863 1.00 4.03 H new ATOM 0 HB3 ASP A 61 28.728 -9.667 3.854 1.00 4.03 H new ATOM 1003 N GLN A 62 28.023 -10.721 0.835 1.00 12.52 N ATOM 1004 CA GLN A 62 27.545 -9.897 -0.267 1.00 34.33 C ATOM 1005 C GLN A 62 26.299 -10.481 -0.935 1.00 44.45 C ATOM 1006 O GLN A 62 25.470 -9.738 -1.474 1.00 1.43 O ATOM 1007 CB GLN A 62 28.662 -9.741 -1.301 1.00 0.02 C ATOM 1008 CG GLN A 62 29.802 -8.879 -0.732 1.00 25.23 C ATOM 1009 CD GLN A 62 30.478 -9.564 0.456 1.00 11.12 C ATOM 1010 OE1 GLN A 62 30.587 -10.795 0.491 1.00 1.45 O ATOM 1011 NE2 GLN A 62 30.935 -8.848 1.434 1.00 15.21 N ATOM 0 H GLN A 62 28.910 -11.188 0.647 1.00 12.52 H new ATOM 0 HA GLN A 62 27.265 -8.926 0.142 1.00 34.33 H new ATOM 0 HB2 GLN A 62 29.045 -10.722 -1.583 1.00 0.02 H new ATOM 0 HB3 GLN A 62 28.267 -9.281 -2.207 1.00 0.02 H new ATOM 0 HG2 GLN A 62 30.539 -8.687 -1.511 1.00 25.23 H new ATOM 0 HG3 GLN A 62 29.408 -7.911 -0.421 1.00 25.23 H new ATOM 0 HE21 GLN A 62 30.846 -7.832 1.407 1.00 15.21 H new ATOM 0 HE22 GLN A 62 31.384 -9.300 2.231 1.00 15.21 H new ATOM 1020 N GLU A 63 26.212 -11.802 -0.974 1.00 4.31 N ATOM 1021 CA GLU A 63 25.111 -12.479 -1.663 1.00 63.23 C ATOM 1022 C GLU A 63 23.754 -11.897 -1.282 1.00 22.23 C ATOM 1023 O GLU A 63 23.545 -11.462 -0.144 1.00 10.12 O ATOM 1024 CB GLU A 63 25.139 -13.982 -1.373 1.00 4.24 C ATOM 1025 CG GLU A 63 26.384 -14.614 -2.013 1.00 13.54 C ATOM 1026 CD GLU A 63 26.313 -14.524 -3.526 1.00 55.25 C ATOM 1027 OE1 GLU A 63 25.307 -14.900 -4.080 1.00 33.23 O ATOM 1028 OE2 GLU A 63 27.268 -14.078 -4.114 1.00 51.42 O ATOM 0 H GLU A 63 26.887 -12.431 -0.539 1.00 4.31 H new ATOM 0 HA GLU A 63 25.252 -12.317 -2.732 1.00 63.23 H new ATOM 0 HB2 GLU A 63 25.146 -14.154 -0.297 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.238 -14.454 -1.765 1.00 4.24 H new ATOM 0 HG2 GLU A 63 27.280 -14.107 -1.655 1.00 13.54 H new ATOM 0 HG3 GLU A 63 26.465 -15.658 -1.709 1.00 13.54 H new ATOM 1035 N THR A 64 22.835 -11.917 -2.233 1.00 35.12 N ATOM 1036 CA THR A 64 21.480 -11.446 -2.016 1.00 71.14 C ATOM 1037 C THR A 64 20.629 -12.552 -1.405 1.00 54.02 C ATOM 1038 O THR A 64 20.906 -13.749 -1.599 1.00 2.04 O ATOM 1039 CB THR A 64 20.858 -10.985 -3.352 1.00 71.33 C ATOM 1040 OG1 THR A 64 21.605 -11.521 -4.450 1.00 5.15 O ATOM 1041 CG2 THR A 64 20.830 -9.460 -3.443 1.00 70.13 C ATOM 0 H THR A 64 23.009 -12.261 -3.177 1.00 35.12 H new ATOM 0 HA THR A 64 21.511 -10.602 -1.327 1.00 71.14 H new ATOM 0 HB THR A 64 19.833 -11.353 -3.396 1.00 71.33 H new ATOM 0 HG1 THR A 64 21.705 -12.489 -4.336 1.00 5.15 H new ATOM 0 HG21 THR A 64 20.387 -9.160 -4.393 1.00 70.13 H new ATOM 0 HG22 THR A 64 20.236 -9.057 -2.623 1.00 70.13 H new ATOM 0 HG23 THR A 64 21.847 -9.073 -3.378 1.00 70.13 H new ATOM 1049 N LEU A 65 19.547 -12.171 -0.766 1.00 11.25 N ATOM 1050 CA LEU A 65 18.618 -13.155 -0.235 1.00 22.02 C ATOM 1051 C LEU A 65 18.036 -13.925 -1.403 1.00 11.33 C ATOM 1052 O LEU A 65 17.911 -15.159 -1.371 1.00 62.22 O ATOM 1053 CB LEU A 65 17.500 -12.473 0.553 1.00 34.52 C ATOM 1054 CG LEU A 65 18.103 -11.492 1.567 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.022 -10.998 2.520 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.251 -12.142 2.341 1.00 30.03 C ATOM 0 H LEU A 65 19.286 -11.199 -0.600 1.00 11.25 H new ATOM 0 HA LEU A 65 19.140 -13.829 0.445 1.00 22.02 H new ATOM 0 HB2 LEU A 65 16.834 -11.943 -0.128 1.00 34.52 H new ATOM 0 HB3 LEU A 65 16.898 -13.221 1.070 1.00 34.52 H new ATOM 0 HG LEU A 65 18.509 -10.638 1.024 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.459 -10.302 3.236 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.241 -10.492 1.953 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.592 -11.846 3.054 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.661 -11.426 3.053 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.880 -13.015 2.877 1.00 30.03 H new ATOM 0 HD23 LEU A 65 20.031 -12.449 1.645 1.00 30.03 H new ATOM 1068 N HIS A 66 17.788 -13.191 -2.474 1.00 73.23 N ATOM 1069 CA HIS A 66 17.294 -13.756 -3.714 1.00 34.14 C ATOM 1070 C HIS A 66 18.253 -14.844 -4.179 1.00 10.32 C ATOM 1071 O HIS A 66 17.831 -15.951 -4.535 1.00 1.13 O ATOM 1072 CB HIS A 66 17.236 -12.636 -4.768 1.00 25.42 C ATOM 1073 CG HIS A 66 16.408 -13.045 -5.950 1.00 52.33 C ATOM 1074 ND1 HIS A 66 15.057 -13.226 -6.098 1.00 11.11 N flip ATOM 1075 CD2 HIS A 66 16.958 -13.263 -7.204 1.00 15.50 C flip ATOM 1076 CE1 HIS A 66 14.765 -13.543 -7.417 1.00 44.55 C flip ATOM 1077 NE2 HIS A 66 15.947 -13.552 -8.043 1.00 53.54 N flip ATOM 0 H HIS A 66 17.925 -12.181 -2.506 1.00 73.23 H new ATOM 0 HA HIS A 66 16.302 -14.185 -3.571 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.817 -11.734 -4.322 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.246 -12.389 -5.096 1.00 25.42 H new ATOM 0 HD2 HIS A 66 18.006 -13.210 -7.460 1.00 15.50 H new ATOM 0 HE1 HIS A 66 13.793 -13.740 -7.845 1.00 44.55 H new ATOM 0 HE2 HIS A 66 16.067 -13.753 -9.036 1.00 53.54 H new ATOM 1086 N SER A 67 19.547 -14.547 -4.102 1.00 14.51 N ATOM 1087 CA SER A 67 20.585 -15.506 -4.455 1.00 21.22 C ATOM 1088 C SER A 67 20.623 -16.691 -3.494 1.00 5.04 C ATOM 1089 O SER A 67 20.881 -17.818 -3.911 1.00 31.30 O ATOM 1090 CB SER A 67 21.946 -14.823 -4.527 1.00 53.23 C ATOM 1091 OG SER A 67 21.941 -13.673 -3.697 1.00 52.30 O ATOM 0 H SER A 67 19.902 -13.641 -3.795 1.00 14.51 H new ATOM 0 HA SER A 67 20.340 -15.900 -5.441 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.728 -15.512 -4.208 1.00 53.23 H new ATOM 0 HB3 SER A 67 22.170 -14.541 -5.556 1.00 53.23 H new ATOM 0 HG SER A 67 21.930 -13.948 -2.757 1.00 52.30 H new ATOM 1097 N HIS A 68 20.333 -16.449 -2.216 1.00 71.23 N ATOM 1098 CA HIS A 68 20.304 -17.550 -1.251 1.00 44.15 C ATOM 1099 C HIS A 68 19.158 -18.469 -1.593 1.00 51.40 C ATOM 1100 O HIS A 68 19.262 -19.688 -1.446 1.00 71.43 O ATOM 1101 CB HIS A 68 20.164 -17.014 0.208 1.00 24.14 C ATOM 1102 CG HIS A 68 19.376 -17.984 1.095 1.00 33.13 C ATOM 1103 ND1 HIS A 68 19.376 -19.357 0.894 1.00 40.22 N ATOM 1104 CD2 HIS A 68 18.556 -17.777 2.184 1.00 74.41 C ATOM 1105 CE1 HIS A 68 18.584 -19.911 1.833 1.00 31.20 C ATOM 1106 NE2 HIS A 68 18.055 -18.998 2.641 1.00 62.11 N ATOM 0 H HIS A 68 20.120 -15.529 -1.831 1.00 71.23 H new ATOM 0 HA HIS A 68 21.243 -18.100 -1.307 1.00 44.15 H new ATOM 0 HB2 HIS A 68 21.155 -16.855 0.634 1.00 24.14 H new ATOM 0 HB3 HIS A 68 19.664 -16.046 0.194 1.00 24.14 H new ATOM 0 HD1 HIS A 68 19.885 -19.858 0.165 1.00 40.22 H new ATOM 0 HD2 HIS A 68 18.334 -16.814 2.619 1.00 74.41 H new ATOM 0 HE1 HIS A 68 18.401 -20.972 1.919 1.00 31.20 H new ATOM 0 HE2 HIS A 68 17.421 -19.155 3.424 1.00 62.11 H new ATOM 1115 N GLY A 69 18.098 -17.888 -2.108 1.00 24.31 N ATOM 1116 CA GLY A 69 16.926 -18.642 -2.487 1.00 1.43 C ATOM 1117 C GLY A 69 15.688 -18.023 -1.882 1.00 24.22 C ATOM 1118 O GLY A 69 14.586 -18.542 -2.047 1.00 54.34 O ATOM 0 H GLY A 69 18.024 -16.884 -2.275 1.00 24.31 H new ATOM 0 HA2 GLY A 69 16.836 -18.666 -3.573 1.00 1.43 H new ATOM 0 HA3 GLY A 69 17.025 -19.675 -2.153 1.00 1.43 H new ATOM 1122 N VAL A 70 15.856 -16.870 -1.236 1.00 14.11 N ATOM 1123 CA VAL A 70 14.723 -16.155 -0.682 1.00 2.23 C ATOM 1124 C VAL A 70 14.075 -15.336 -1.786 1.00 63.41 C ATOM 1125 O VAL A 70 14.599 -14.291 -2.180 1.00 21.42 O ATOM 1126 CB VAL A 70 15.170 -15.236 0.463 1.00 22.03 C ATOM 1127 CG1 VAL A 70 13.950 -14.779 1.274 1.00 73.22 C ATOM 1128 CG2 VAL A 70 16.142 -15.986 1.379 1.00 4.51 C ATOM 0 H VAL A 70 16.759 -16.420 -1.088 1.00 14.11 H new ATOM 0 HA VAL A 70 14.006 -16.870 -0.280 1.00 2.23 H new ATOM 0 HB VAL A 70 15.669 -14.363 0.043 1.00 22.03 H new ATOM 0 HG11 VAL A 70 14.275 -14.127 2.085 1.00 73.22 H new ATOM 0 HG12 VAL A 70 13.264 -14.235 0.624 1.00 73.22 H new ATOM 0 HG13 VAL A 70 13.443 -15.650 1.690 1.00 73.22 H new ATOM 0 HG21 VAL A 70 16.457 -15.330 2.190 1.00 4.51 H new ATOM 0 HG22 VAL A 70 15.647 -16.864 1.794 1.00 4.51 H new ATOM 0 HG23 VAL A 70 17.015 -16.298 0.806 1.00 4.51 H new ATOM 1138 N ARG A 71 13.004 -15.856 -2.348 1.00 60.24 N ATOM 1139 CA ARG A 71 12.343 -15.207 -3.470 1.00 5.14 C ATOM 1140 C ARG A 71 11.013 -14.610 -3.016 1.00 73.44 C ATOM 1141 O ARG A 71 10.383 -13.829 -3.741 1.00 42.30 O ATOM 1142 CB ARG A 71 12.118 -16.225 -4.606 1.00 72.31 C ATOM 1143 CG ARG A 71 13.333 -17.180 -4.703 1.00 42.42 C ATOM 1144 CD ARG A 71 14.603 -16.436 -5.147 1.00 13.23 C ATOM 1145 NE ARG A 71 14.617 -16.284 -6.597 1.00 43.00 N ATOM 1146 CZ ARG A 71 15.747 -16.362 -7.316 1.00 42.14 C ATOM 1147 NH1 ARG A 71 16.914 -16.451 -6.718 1.00 15.55 N ATOM 1148 NH2 ARG A 71 15.687 -16.308 -8.614 1.00 31.11 N ATOM 0 H ARG A 71 12.569 -16.728 -2.048 1.00 60.24 H new ATOM 0 HA ARG A 71 12.976 -14.402 -3.843 1.00 5.14 H new ATOM 0 HB2 ARG A 71 11.209 -16.796 -4.420 1.00 72.31 H new ATOM 0 HB3 ARG A 71 11.978 -15.703 -5.552 1.00 72.31 H new ATOM 0 HG2 ARG A 71 13.506 -17.650 -3.735 1.00 42.42 H new ATOM 0 HG3 ARG A 71 13.113 -17.979 -5.410 1.00 42.42 H new ATOM 0 HD2 ARG A 71 14.644 -15.456 -4.671 1.00 13.23 H new ATOM 0 HD3 ARG A 71 15.487 -16.985 -4.823 1.00 13.23 H new ATOM 0 HE ARG A 71 13.736 -16.112 -7.082 1.00 43.00 H new ATOM 0 HH11 ARG A 71 16.966 -16.461 -5.699 1.00 15.55 H new ATOM 0 HH12 ARG A 71 17.768 -16.510 -7.273 1.00 15.55 H new ATOM 0 HH21 ARG A 71 14.785 -16.207 -9.079 1.00 31.11 H new ATOM 0 HH22 ARG A 71 16.542 -16.367 -9.167 1.00 31.11 H new ATOM 1162 N GLN A 72 10.584 -14.986 -1.816 1.00 22.33 N ATOM 1163 CA GLN A 72 9.335 -14.492 -1.237 1.00 11.22 C ATOM 1164 C GLN A 72 9.264 -14.847 0.234 1.00 63.41 C ATOM 1165 O GLN A 72 10.150 -15.514 0.757 1.00 54.20 O ATOM 1166 CB GLN A 72 8.115 -15.060 -1.981 1.00 72.22 C ATOM 1167 CG GLN A 72 8.258 -16.581 -2.148 1.00 11.44 C ATOM 1168 CD GLN A 72 8.094 -16.962 -3.610 1.00 64.24 C ATOM 1169 OE1 GLN A 72 8.659 -16.241 -4.528 1.00 55.53 O flip ATOM 1170 NE2 GLN A 72 7.432 -17.948 -3.925 1.00 55.43 N flip ATOM 0 H GLN A 72 11.089 -15.640 -1.217 1.00 22.33 H new ATOM 0 HA GLN A 72 9.319 -13.407 -1.342 1.00 11.22 H new ATOM 0 HB2 GLN A 72 7.204 -14.831 -1.428 1.00 72.22 H new ATOM 0 HB3 GLN A 72 8.023 -14.586 -2.958 1.00 72.22 H new ATOM 0 HG2 GLN A 72 9.234 -16.904 -1.787 1.00 11.44 H new ATOM 0 HG3 GLN A 72 7.509 -17.093 -1.544 1.00 11.44 H new ATOM 0 HE21 GLN A 72 6.987 -18.516 -3.203 1.00 55.43 H new ATOM 0 HE22 GLN A 72 7.327 -18.199 -4.908 1.00 55.43 H new ATOM 1179 N ASN A 73 8.188 -14.452 0.891 1.00 71.53 N ATOM 1180 CA ASN A 73 8.010 -14.798 2.288 1.00 20.42 C ATOM 1181 C ASN A 73 7.848 -16.295 2.414 1.00 52.02 C ATOM 1182 O ASN A 73 7.375 -16.957 1.479 1.00 44.32 O ATOM 1183 CB ASN A 73 6.795 -14.082 2.901 1.00 43.42 C ATOM 1184 CG ASN A 73 5.541 -14.929 2.725 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.145 -15.660 3.639 1.00 70.33 O ATOM 1186 ND2 ASN A 73 4.905 -14.891 1.610 1.00 55.51 N ATOM 0 H ASN A 73 7.433 -13.898 0.485 1.00 71.53 H new ATOM 0 HA ASN A 73 8.893 -14.471 2.837 1.00 20.42 H new ATOM 0 HB2 ASN A 73 6.970 -13.895 3.960 1.00 43.42 H new ATOM 0 HB3 ASN A 73 6.657 -13.112 2.424 1.00 43.42 H new ATOM 0 HD21 ASN A 73 4.072 -15.465 1.478 1.00 55.51 H new ATOM 0 HD22 ASN A 73 5.233 -14.287 0.856 1.00 55.51 H new ATOM 1193 N GLY A 74 8.218 -16.829 3.550 1.00 42.33 N ATOM 1194 CA GLY A 74 8.099 -18.256 3.778 1.00 72.21 C ATOM 1195 C GLY A 74 9.397 -18.976 3.453 1.00 53.51 C ATOM 1196 O GLY A 74 9.519 -20.186 3.661 1.00 53.41 O ATOM 0 H GLY A 74 8.604 -16.303 4.334 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.829 -18.439 4.818 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.293 -18.659 3.164 1.00 72.21 H new ATOM 1200 N ASP A 75 10.371 -18.227 2.962 1.00 74.32 N ATOM 1201 CA ASP A 75 11.687 -18.780 2.674 1.00 40.23 C ATOM 1202 C ASP A 75 12.486 -18.913 3.971 1.00 33.23 C ATOM 1203 O ASP A 75 12.077 -18.374 5.011 1.00 22.31 O ATOM 1204 CB ASP A 75 12.414 -17.930 1.617 1.00 54.44 C ATOM 1205 CG ASP A 75 11.787 -18.166 0.239 1.00 32.10 C ATOM 1206 OD1 ASP A 75 11.204 -19.214 0.041 1.00 43.04 O ATOM 1207 OD2 ASP A 75 11.885 -17.302 -0.598 1.00 41.44 O ATOM 0 H ASP A 75 10.276 -17.233 2.754 1.00 74.32 H new ATOM 0 HA ASP A 75 11.579 -19.778 2.250 1.00 40.23 H new ATOM 0 HB2 ASP A 75 12.350 -16.874 1.880 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.472 -18.189 1.594 1.00 54.44 H new ATOM 1212 N SER A 76 13.520 -19.748 3.963 1.00 54.11 N ATOM 1213 CA SER A 76 14.199 -20.106 5.208 1.00 54.23 C ATOM 1214 C SER A 76 15.733 -20.015 5.115 1.00 1.51 C ATOM 1215 O SER A 76 16.305 -19.889 4.024 1.00 74.44 O ATOM 1216 CB SER A 76 13.791 -21.523 5.610 1.00 52.41 C ATOM 1217 OG SER A 76 13.920 -22.383 4.481 1.00 21.32 O ATOM 0 H SER A 76 13.903 -20.184 3.124 1.00 54.11 H new ATOM 0 HA SER A 76 13.891 -19.382 5.962 1.00 54.23 H new ATOM 0 HB2 SER A 76 14.419 -21.878 6.427 1.00 52.41 H new ATOM 0 HB3 SER A 76 12.763 -21.530 5.973 1.00 52.41 H new ATOM 0 HG SER A 76 13.661 -23.294 4.733 1.00 21.32 H new ATOM 1223 N ALA A 77 16.388 -20.061 6.281 1.00 33.13 N ATOM 1224 CA ALA A 77 17.855 -20.032 6.372 1.00 74.42 C ATOM 1225 C ALA A 77 18.322 -20.733 7.653 1.00 71.15 C ATOM 1226 O ALA A 77 17.510 -21.011 8.558 1.00 14.41 O ATOM 1227 CB ALA A 77 18.375 -18.588 6.348 1.00 5.24 C ATOM 0 H ALA A 77 15.920 -20.119 7.185 1.00 33.13 H new ATOM 0 HA ALA A 77 18.259 -20.560 5.508 1.00 74.42 H new ATOM 0 HB1 ALA A 77 19.463 -18.592 6.417 1.00 5.24 H new ATOM 0 HB2 ALA A 77 18.072 -18.107 5.418 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.960 -18.038 7.193 1.00 5.24 H new ATOM 1233 N TYR A 78 19.617 -21.027 7.735 1.00 12.02 N ATOM 1234 CA TYR A 78 20.175 -21.716 8.902 1.00 11.21 C ATOM 1235 C TYR A 78 21.350 -20.923 9.480 1.00 11.53 C ATOM 1236 O TYR A 78 22.298 -20.599 8.763 1.00 70.42 O ATOM 1237 CB TYR A 78 20.643 -23.124 8.502 1.00 33.45 C ATOM 1238 CG TYR A 78 20.425 -24.088 9.646 1.00 43.33 C ATOM 1239 CD1 TYR A 78 19.177 -24.700 9.796 1.00 61.00 C ATOM 1240 CD2 TYR A 78 21.458 -24.376 10.549 1.00 21.22 C ATOM 1241 CE1 TYR A 78 18.954 -25.593 10.841 1.00 1.34 C ATOM 1242 CE2 TYR A 78 21.231 -25.275 11.600 1.00 41.13 C ATOM 1243 CZ TYR A 78 19.974 -25.883 11.744 1.00 43.02 C ATOM 1244 OH TYR A 78 19.738 -26.772 12.775 1.00 40.42 O ATOM 0 H TYR A 78 20.300 -20.801 7.012 1.00 12.02 H new ATOM 0 HA TYR A 78 19.399 -21.797 9.664 1.00 11.21 H new ATOM 0 HB2 TYR A 78 20.095 -23.462 7.622 1.00 33.45 H new ATOM 0 HB3 TYR A 78 21.699 -23.102 8.231 1.00 33.45 H new ATOM 0 HD1 TYR A 78 18.383 -24.479 9.098 1.00 61.00 H new ATOM 0 HD2 TYR A 78 22.424 -23.907 10.435 1.00 21.22 H new ATOM 0 HE1 TYR A 78 17.987 -26.062 10.952 1.00 1.34 H new ATOM 0 HE2 TYR A 78 22.023 -25.500 12.299 1.00 41.13 H new ATOM 0 HH TYR A 78 20.589 -27.141 13.090 1.00 40.42 H new ATOM 1254 N LEU A 79 21.279 -20.611 10.762 1.00 25.24 N ATOM 1255 CA LEU A 79 22.325 -19.863 11.450 1.00 53.21 C ATOM 1256 C LEU A 79 22.853 -20.640 12.655 1.00 53.55 C ATOM 1257 O LEU A 79 22.084 -21.073 13.517 1.00 62.25 O ATOM 1258 CB LEU A 79 21.788 -18.486 11.897 1.00 53.33 C ATOM 1259 CG LEU A 79 22.835 -17.751 12.759 1.00 44.43 C ATOM 1260 CD1 LEU A 79 24.079 -17.439 11.925 1.00 75.51 C ATOM 1261 CD2 LEU A 79 22.235 -16.438 13.280 1.00 71.21 C ATOM 0 H LEU A 79 20.494 -20.868 11.360 1.00 25.24 H new ATOM 0 HA LEU A 79 23.151 -19.714 10.754 1.00 53.21 H new ATOM 0 HB2 LEU A 79 21.541 -17.884 11.022 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.867 -18.615 12.465 1.00 53.33 H new ATOM 0 HG LEU A 79 23.116 -18.390 13.596 1.00 44.43 H new ATOM 0 HD11 LEU A 79 24.811 -16.920 12.544 1.00 75.51 H new ATOM 0 HD12 LEU A 79 24.511 -18.369 11.554 1.00 75.51 H new ATOM 0 HD13 LEU A 79 23.802 -16.806 11.082 1.00 75.51 H new ATOM 0 HD21 LEU A 79 22.973 -15.917 13.889 1.00 71.21 H new ATOM 0 HD22 LEU A 79 21.951 -15.808 12.437 1.00 71.21 H new ATOM 0 HD23 LEU A 79 21.354 -16.655 13.884 1.00 71.21 H new ATOM 1273 N TYR A 80 24.161 -20.723 12.761 1.00 5.12 N ATOM 1274 CA TYR A 80 24.805 -21.331 13.916 1.00 41.02 C ATOM 1275 C TYR A 80 25.349 -20.229 14.812 1.00 42.44 C ATOM 1276 O TYR A 80 25.967 -19.286 14.321 1.00 55.24 O ATOM 1277 CB TYR A 80 25.928 -22.270 13.445 1.00 20.13 C ATOM 1278 CG TYR A 80 26.775 -22.748 14.606 1.00 72.33 C ATOM 1279 CD1 TYR A 80 26.178 -23.167 15.802 1.00 32.42 C ATOM 1280 CD2 TYR A 80 28.165 -22.779 14.475 1.00 60.13 C ATOM 1281 CE1 TYR A 80 26.971 -23.612 16.860 1.00 4.45 C ATOM 1282 CE2 TYR A 80 28.955 -23.226 15.531 1.00 34.21 C ATOM 1283 CZ TYR A 80 28.361 -23.643 16.725 1.00 1.20 C ATOM 1284 OH TYR A 80 29.146 -24.086 17.767 1.00 2.11 O ATOM 0 H TYR A 80 24.810 -20.374 12.055 1.00 5.12 H new ATOM 0 HA TYR A 80 24.087 -21.922 14.484 1.00 41.02 H new ATOM 0 HB2 TYR A 80 25.495 -23.128 12.932 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.558 -21.751 12.723 1.00 20.13 H new ATOM 0 HD1 TYR A 80 25.103 -23.146 15.905 1.00 32.42 H new ATOM 0 HD2 TYR A 80 28.628 -22.456 13.554 1.00 60.13 H new ATOM 0 HE1 TYR A 80 26.510 -23.932 17.783 1.00 4.45 H new ATOM 0 HE2 TYR A 80 30.030 -23.250 15.427 1.00 34.21 H new ATOM 0 HH TYR A 80 30.090 -24.044 17.506 1.00 2.11 H new ATOM 1294 N LEU A 81 25.032 -20.280 16.097 1.00 0.03 N ATOM 1295 CA LEU A 81 25.437 -19.213 17.001 1.00 31.14 C ATOM 1296 C LEU A 81 26.447 -19.749 18.018 1.00 52.43 C ATOM 1297 O LEU A 81 26.134 -20.634 18.816 1.00 25.33 O ATOM 1298 CB LEU A 81 24.192 -18.649 17.712 1.00 11.44 C ATOM 1299 CG LEU A 81 24.540 -17.380 18.503 1.00 63.32 C ATOM 1300 CD1 LEU A 81 24.876 -16.230 17.536 1.00 74.33 C ATOM 1301 CD2 LEU A 81 23.348 -16.980 19.379 1.00 62.13 C ATOM 0 H LEU A 81 24.504 -21.036 16.533 1.00 0.03 H new ATOM 0 HA LEU A 81 25.913 -18.412 16.436 1.00 31.14 H new ATOM 0 HB2 LEU A 81 23.419 -18.424 16.977 1.00 11.44 H new ATOM 0 HB3 LEU A 81 23.781 -19.401 18.386 1.00 11.44 H new ATOM 0 HG LEU A 81 25.407 -17.580 19.133 1.00 63.32 H new ATOM 0 HD11 LEU A 81 25.121 -15.334 18.107 1.00 74.33 H new ATOM 0 HD12 LEU A 81 25.729 -16.512 16.918 1.00 74.33 H new ATOM 0 HD13 LEU A 81 24.016 -16.029 16.897 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.595 -16.079 19.941 1.00 62.13 H new ATOM 0 HD22 LEU A 81 22.481 -16.787 18.747 1.00 62.13 H new ATOM 0 HD23 LEU A 81 23.119 -17.789 20.073 1.00 62.13 H new ATOM 1313 N LEU A 82 27.661 -19.216 17.970 1.00 41.20 N ATOM 1314 CA LEU A 82 28.744 -19.651 18.851 1.00 33.24 C ATOM 1315 C LEU A 82 28.557 -19.125 20.257 1.00 52.35 C ATOM 1316 O LEU A 82 27.990 -18.058 20.459 1.00 61.23 O ATOM 1317 CB LEU A 82 30.106 -19.192 18.311 1.00 34.41 C ATOM 1318 CG LEU A 82 30.433 -19.927 17.006 1.00 5.31 C ATOM 1319 CD1 LEU A 82 31.671 -19.300 16.361 1.00 4.22 C ATOM 1320 CD2 LEU A 82 30.726 -21.395 17.313 1.00 74.54 C ATOM 0 H LEU A 82 27.925 -18.473 17.323 1.00 41.20 H new ATOM 0 HA LEU A 82 28.718 -20.740 18.880 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.093 -18.116 18.137 1.00 34.41 H new ATOM 0 HB3 LEU A 82 30.883 -19.386 19.051 1.00 34.41 H new ATOM 0 HG LEU A 82 29.584 -19.850 16.326 1.00 5.31 H new ATOM 0 HD11 LEU A 82 31.903 -19.823 15.433 1.00 4.22 H new ATOM 0 HD12 LEU A 82 31.477 -18.249 16.146 1.00 4.22 H new ATOM 0 HD13 LEU A 82 32.517 -19.380 17.044 1.00 4.22 H new ATOM 0 HD21 LEU A 82 30.959 -21.921 16.387 1.00 74.54 H new ATOM 0 HD22 LEU A 82 31.576 -21.462 17.992 1.00 74.54 H new ATOM 0 HD23 LEU A 82 29.852 -21.851 17.779 1.00 74.54 H new