USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 915 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 92 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.0609 K(o=-0.061,f=-1.9!) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -175:sc= 0.114 (180deg=0.0672) USER MOD Set 2.2: A 47 THR OG1 : rot 6:sc= 0.714 USER MOD Single : A 13 SER OG : rot 180:sc= 0.108 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -140:sc= -0.314 USER MOD Single : A 31 THR OG1 : rot 157:sc= 0.0665 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.992 K(o=-0.99,f=-0.023) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -150:sc= 0 USER MOD Single : A 57 MET CE :methyl -133:sc= -1.48 (180deg=-4.13!) USER MOD Single : A 60 MET CE :methyl -172:sc= -1.1 (180deg=-1.44) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -6.97! C(o=-7!,f=-12!) USER MOD Single : A 70 LYS NZ :NH3+ -142:sc= -0.424 (180deg=-1.99!) USER MOD Single : A 71 GLN : amide:sc= -0.0606 X(o=-0.061,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -6.55! C(o=-6.6!,f=-7.6!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -134:sc= -2.3 (180deg=-6.08!) USER MOD Single : A 82 THR OG1 : rot -130:sc= 0.136 USER MOD Single : A 84 HIS : no HD1:sc= -0.543 X(o=-0.54,f=-0.13) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot -116:sc= 0.136 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.0491 X(o=-0.049,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 -0.583 4.365 -1.016 1.00 54.24 N ATOM 36 CA ARG A 3 -1.774 5.048 -0.524 1.00 5.21 C ATOM 37 C ARG A 3 -2.091 4.623 0.907 1.00 54.13 C ATOM 38 O ARG A 3 -1.951 3.454 1.264 1.00 44.23 O ATOM 39 CB ARG A 3 -2.969 4.754 -1.432 1.00 41.22 C ATOM 40 CG ARG A 3 -4.165 5.656 -1.175 1.00 73.22 C ATOM 41 CD ARG A 3 -5.056 5.099 -0.076 1.00 55.00 C ATOM 42 NE ARG A 3 -6.378 4.732 -0.577 1.00 34.24 N ATOM 43 CZ ARG A 3 -7.432 4.533 0.207 1.00 11.55 C ATOM 44 NH1 ARG A 3 -7.319 4.667 1.522 1.00 71.22 N ATOM 45 NH2 ARG A 3 -8.602 4.202 -0.323 1.00 33.41 N ATOM 0 HA ARG A 3 -1.577 6.120 -0.532 1.00 5.21 H new ATOM 0 HB2 ARG A 3 -2.660 4.862 -2.472 1.00 41.22 H new ATOM 0 HB3 ARG A 3 -3.272 3.716 -1.296 1.00 41.22 H new ATOM 0 HG2 ARG A 3 -3.818 6.651 -0.895 1.00 73.22 H new ATOM 0 HG3 ARG A 3 -4.743 5.766 -2.093 1.00 73.22 H new ATOM 0 HD2 ARG A 3 -4.581 4.224 0.368 1.00 55.00 H new ATOM 0 HD3 ARG A 3 -5.161 5.840 0.716 1.00 55.00 H new ATOM 0 HE ARG A 3 -6.499 4.622 -1.584 1.00 34.24 H new ATOM 0 HH11 ARG A 3 -6.421 4.923 1.933 1.00 71.22 H new ATOM 0 HH12 ARG A 3 -8.130 4.514 2.122 1.00 71.22 H new ATOM 0 HH21 ARG A 3 -8.693 4.100 -1.334 1.00 33.41 H new ATOM 0 HH22 ARG A 3 -9.410 4.050 0.280 1.00 33.41 H new ATOM 59 N GLY A 4 -2.521 5.582 1.722 1.00 24.31 N ATOM 60 CA GLY A 4 -2.851 5.287 3.104 1.00 1.12 C ATOM 61 C GLY A 4 -3.418 6.489 3.834 1.00 72.35 C ATOM 62 O GLY A 4 -3.304 7.620 3.362 1.00 45.42 O ATOM 0 H GLY A 4 -2.647 6.557 1.450 1.00 24.31 H new ATOM 0 HA2 GLY A 4 -3.574 4.472 3.136 1.00 1.12 H new ATOM 0 HA3 GLY A 4 -1.957 4.940 3.622 1.00 1.12 H new ATOM 66 N ILE A 5 -4.033 6.244 4.986 1.00 71.54 N ATOM 67 CA ILE A 5 -4.621 7.315 5.780 1.00 22.34 C ATOM 68 C ILE A 5 -3.541 8.198 6.397 1.00 71.31 C ATOM 69 O ILE A 5 -2.667 7.716 7.118 1.00 13.43 O ATOM 70 CB ILE A 5 -5.515 6.757 6.903 1.00 30.14 C ATOM 71 CG1 ILE A 5 -6.676 5.957 6.310 1.00 34.33 C ATOM 72 CG2 ILE A 5 -6.036 7.888 7.777 1.00 2.31 C ATOM 73 CD1 ILE A 5 -7.641 5.431 7.350 1.00 32.10 C ATOM 0 H ILE A 5 -4.137 5.313 5.390 1.00 71.54 H new ATOM 0 HA ILE A 5 -5.232 7.912 5.103 1.00 22.34 H new ATOM 0 HB ILE A 5 -4.918 6.089 7.524 1.00 30.14 H new ATOM 0 HG12 ILE A 5 -7.220 6.588 5.607 1.00 34.33 H new ATOM 0 HG13 ILE A 5 -6.275 5.118 5.741 1.00 34.33 H new ATOM 0 HG21 ILE A 5 -6.666 7.477 8.566 1.00 2.31 H new ATOM 0 HG22 ILE A 5 -5.196 8.420 8.223 1.00 2.31 H new ATOM 0 HG23 ILE A 5 -6.620 8.579 7.169 1.00 2.31 H new ATOM 0 HD11 ILE A 5 -8.438 4.874 6.858 1.00 32.10 H new ATOM 0 HD12 ILE A 5 -7.111 4.773 8.039 1.00 32.10 H new ATOM 0 HD13 ILE A 5 -8.070 6.266 7.904 1.00 32.10 H new ATOM 85 N VAL A 6 -3.609 9.494 6.109 1.00 25.31 N ATOM 86 CA VAL A 6 -2.639 10.446 6.637 1.00 24.44 C ATOM 87 C VAL A 6 -3.303 11.439 7.584 1.00 70.01 C ATOM 88 O VAL A 6 -3.968 12.378 7.147 1.00 35.01 O ATOM 89 CB VAL A 6 -1.939 11.221 5.505 1.00 13.12 C ATOM 90 CG1 VAL A 6 -0.942 12.217 6.077 1.00 51.31 C ATOM 91 CG2 VAL A 6 -1.254 10.260 4.546 1.00 74.34 C ATOM 0 H VAL A 6 -4.326 9.909 5.513 1.00 25.31 H new ATOM 0 HA VAL A 6 -1.895 9.868 7.185 1.00 24.44 H new ATOM 0 HB VAL A 6 -2.693 11.777 4.949 1.00 13.12 H new ATOM 0 HG11 VAL A 6 -0.457 12.755 5.262 1.00 51.31 H new ATOM 0 HG12 VAL A 6 -1.464 12.926 6.720 1.00 51.31 H new ATOM 0 HG13 VAL A 6 -0.189 11.685 6.659 1.00 51.31 H new ATOM 0 HG21 VAL A 6 -0.765 10.825 3.753 1.00 74.34 H new ATOM 0 HG22 VAL A 6 -0.510 9.675 5.087 1.00 74.34 H new ATOM 0 HG23 VAL A 6 -1.996 9.590 4.110 1.00 74.34 H new ATOM 101 N TRP A 7 -3.118 11.226 8.881 1.00 24.45 N ATOM 102 CA TRP A 7 -3.699 12.103 9.891 1.00 50.31 C ATOM 103 C TRP A 7 -2.643 13.035 10.476 1.00 71.22 C ATOM 104 O TRP A 7 -1.696 12.587 11.123 1.00 14.30 O ATOM 105 CB TRP A 7 -4.342 11.277 11.006 1.00 64.30 C ATOM 106 CG TRP A 7 -5.649 10.660 10.610 1.00 12.32 C ATOM 107 CD1 TRP A 7 -6.220 10.675 9.370 1.00 53.42 C ATOM 108 CD2 TRP A 7 -6.549 9.940 11.460 1.00 62.45 C ATOM 109 NE1 TRP A 7 -7.421 10.008 9.397 1.00 61.42 N ATOM 110 CE2 TRP A 7 -7.645 9.546 10.667 1.00 42.01 C ATOM 111 CE3 TRP A 7 -6.534 9.587 12.812 1.00 73.35 C ATOM 112 CZ2 TRP A 7 -8.714 8.819 11.184 1.00 41.21 C ATOM 113 CZ3 TRP A 7 -7.596 8.866 13.323 1.00 33.31 C ATOM 114 CH2 TRP A 7 -8.674 8.487 12.511 1.00 44.42 C ATOM 0 H TRP A 7 -2.570 10.453 9.259 1.00 24.45 H new ATOM 0 HA TRP A 7 -4.466 12.710 9.410 1.00 50.31 H new ATOM 0 HB2 TRP A 7 -3.653 10.488 11.308 1.00 64.30 H new ATOM 0 HB3 TRP A 7 -4.498 11.914 11.877 1.00 64.30 H new ATOM 0 HD1 TRP A 7 -5.791 11.142 8.496 1.00 53.42 H new ATOM 0 HE1 TRP A 7 -8.045 9.878 8.600 1.00 61.42 H new ATOM 0 HE3 TRP A 7 -5.707 9.873 13.446 1.00 73.35 H new ATOM 0 HZ2 TRP A 7 -9.546 8.527 10.560 1.00 41.21 H new ATOM 0 HZ3 TRP A 7 -7.596 8.589 14.367 1.00 33.31 H new ATOM 0 HH2 TRP A 7 -9.488 7.922 12.941 1.00 44.42 H new ATOM 125 N VAL A 8 -2.811 14.333 10.244 1.00 35.12 N ATOM 126 CA VAL A 8 -1.873 15.328 10.750 1.00 70.33 C ATOM 127 C VAL A 8 -2.581 16.356 11.625 1.00 23.10 C ATOM 128 O VAL A 8 -3.354 17.179 11.134 1.00 63.41 O ATOM 129 CB VAL A 8 -1.154 16.057 9.599 1.00 33.11 C ATOM 130 CG1 VAL A 8 0.004 16.885 10.133 1.00 43.41 C ATOM 131 CG2 VAL A 8 -0.672 15.060 8.556 1.00 3.12 C ATOM 0 H VAL A 8 -3.588 14.720 9.709 1.00 35.12 H new ATOM 0 HA VAL A 8 -1.136 14.793 11.348 1.00 70.33 H new ATOM 0 HB VAL A 8 -1.863 16.733 9.121 1.00 33.11 H new ATOM 0 HG11 VAL A 8 0.500 17.393 9.306 1.00 43.41 H new ATOM 0 HG12 VAL A 8 -0.373 17.625 10.839 1.00 43.41 H new ATOM 0 HG13 VAL A 8 0.716 16.232 10.637 1.00 43.41 H new ATOM 0 HG21 VAL A 8 -0.166 15.592 7.750 1.00 3.12 H new ATOM 0 HG22 VAL A 8 0.021 14.357 9.018 1.00 3.12 H new ATOM 0 HG23 VAL A 8 -1.525 14.515 8.152 1.00 3.12 H new ATOM 141 N VAL A 9 -2.311 16.304 12.926 1.00 63.14 N ATOM 142 CA VAL A 9 -2.920 17.232 13.871 1.00 72.14 C ATOM 143 C VAL A 9 -1.939 18.326 14.277 1.00 30.43 C ATOM 144 O VAL A 9 -0.908 18.052 14.892 1.00 61.34 O ATOM 145 CB VAL A 9 -3.412 16.503 15.135 1.00 34.00 C ATOM 146 CG1 VAL A 9 -2.252 15.824 15.846 1.00 4.53 C ATOM 147 CG2 VAL A 9 -4.125 17.473 16.065 1.00 21.14 C ATOM 0 H VAL A 9 -1.674 15.629 13.349 1.00 63.14 H new ATOM 0 HA VAL A 9 -3.774 17.684 13.366 1.00 72.14 H new ATOM 0 HB VAL A 9 -4.123 15.733 14.836 1.00 34.00 H new ATOM 0 HG11 VAL A 9 -2.619 15.314 16.737 1.00 4.53 H new ATOM 0 HG12 VAL A 9 -1.790 15.098 15.177 1.00 4.53 H new ATOM 0 HG13 VAL A 9 -1.514 16.572 16.135 1.00 4.53 H new ATOM 0 HG21 VAL A 9 -4.466 16.941 16.953 1.00 21.14 H new ATOM 0 HG22 VAL A 9 -3.438 18.267 16.359 1.00 21.14 H new ATOM 0 HG23 VAL A 9 -4.982 17.907 15.550 1.00 21.14 H new ATOM 157 N ASP A 10 -2.267 19.565 13.931 1.00 11.40 N ATOM 158 CA ASP A 10 -1.415 20.702 14.261 1.00 14.23 C ATOM 159 C ASP A 10 -2.199 22.009 14.183 1.00 22.12 C ATOM 160 O ASP A 10 -3.297 22.054 13.629 1.00 71.53 O ATOM 161 CB ASP A 10 -0.213 20.757 13.318 1.00 61.02 C ATOM 162 CG ASP A 10 -0.567 21.335 11.962 1.00 62.23 C ATOM 163 OD1 ASP A 10 -1.029 20.567 11.092 1.00 22.13 O ATOM 164 OD2 ASP A 10 -0.381 22.555 11.769 1.00 21.14 O ATOM 0 H ASP A 10 -3.117 19.808 13.422 1.00 11.40 H new ATOM 0 HA ASP A 10 -1.059 20.573 15.283 1.00 14.23 H new ATOM 0 HB2 ASP A 10 0.574 21.359 13.772 1.00 61.02 H new ATOM 0 HB3 ASP A 10 0.189 19.752 13.188 1.00 61.02 H new ATOM 169 N ASP A 11 -1.627 23.069 14.743 1.00 54.50 N ATOM 170 CA ASP A 11 -2.272 24.378 14.737 1.00 60.41 C ATOM 171 C ASP A 11 -1.562 25.329 13.778 1.00 33.33 C ATOM 172 O ASP A 11 -0.764 26.167 14.197 1.00 23.43 O ATOM 173 CB ASP A 11 -2.284 24.970 16.147 1.00 55.21 C ATOM 174 CG ASP A 11 -3.301 26.084 16.298 1.00 54.44 C ATOM 175 OD1 ASP A 11 -3.379 26.943 15.394 1.00 13.31 O ATOM 176 OD2 ASP A 11 -4.020 26.097 17.319 1.00 50.14 O ATOM 0 H ASP A 11 -0.719 23.048 15.207 1.00 54.50 H new ATOM 0 HA ASP A 11 -3.299 24.248 14.397 1.00 60.41 H new ATOM 0 HB2 ASP A 11 -2.503 24.182 16.867 1.00 55.21 H new ATOM 0 HB3 ASP A 11 -1.292 25.353 16.386 1.00 55.21 H new ATOM 181 N ASP A 12 -1.858 25.192 12.491 1.00 54.15 N ATOM 182 CA ASP A 12 -1.249 26.039 11.472 1.00 42.02 C ATOM 183 C ASP A 12 -1.812 25.719 10.091 1.00 60.23 C ATOM 184 O ASP A 12 -1.622 24.619 9.572 1.00 73.22 O ATOM 185 CB ASP A 12 0.270 25.860 11.471 1.00 21.30 C ATOM 186 CG ASP A 12 1.004 27.140 11.126 1.00 42.52 C ATOM 187 OD1 ASP A 12 0.484 28.228 11.450 1.00 35.01 O ATOM 188 OD2 ASP A 12 2.099 27.055 10.530 1.00 11.34 O ATOM 0 H ASP A 12 -2.516 24.502 12.128 1.00 54.15 H new ATOM 0 HA ASP A 12 -1.485 27.076 11.709 1.00 42.02 H new ATOM 0 HB2 ASP A 12 0.593 25.513 12.453 1.00 21.30 H new ATOM 0 HB3 ASP A 12 0.541 25.085 10.754 1.00 21.30 H new ATOM 193 N SER A 13 -2.506 26.687 9.501 1.00 12.02 N ATOM 194 CA SER A 13 -3.101 26.507 8.182 1.00 34.43 C ATOM 195 C SER A 13 -2.027 26.228 7.135 1.00 15.11 C ATOM 196 O SER A 13 -2.298 25.620 6.099 1.00 4.04 O ATOM 197 CB SER A 13 -3.905 27.748 7.788 1.00 63.40 C ATOM 198 OG SER A 13 -3.573 28.853 8.611 1.00 64.45 O ATOM 0 H SER A 13 -2.670 27.604 9.916 1.00 12.02 H new ATOM 0 HA SER A 13 -3.771 25.648 8.227 1.00 34.43 H new ATOM 0 HB2 SER A 13 -3.709 27.996 6.745 1.00 63.40 H new ATOM 0 HB3 SER A 13 -4.971 27.536 7.871 1.00 63.40 H new ATOM 0 HG SER A 13 -4.099 29.634 8.338 1.00 64.45 H new ATOM 204 N SER A 14 -0.808 26.678 7.413 1.00 21.22 N ATOM 205 CA SER A 14 0.307 26.481 6.494 1.00 2.14 C ATOM 206 C SER A 14 0.643 24.999 6.357 1.00 51.22 C ATOM 207 O SER A 14 0.579 24.436 5.263 1.00 10.35 O ATOM 208 CB SER A 14 1.537 27.251 6.979 1.00 10.33 C ATOM 209 OG SER A 14 2.303 27.729 5.887 1.00 53.50 O ATOM 0 H SER A 14 -0.567 27.181 8.267 1.00 21.22 H new ATOM 0 HA SER A 14 0.011 26.861 5.516 1.00 2.14 H new ATOM 0 HB2 SER A 14 1.223 28.089 7.601 1.00 10.33 H new ATOM 0 HB3 SER A 14 2.153 26.603 7.603 1.00 10.33 H new ATOM 0 HG SER A 14 3.082 28.219 6.224 1.00 53.50 H new ATOM 215 N ILE A 15 1.001 24.374 7.473 1.00 15.03 N ATOM 216 CA ILE A 15 1.345 22.958 7.478 1.00 23.23 C ATOM 217 C ILE A 15 0.188 22.108 6.964 1.00 50.50 C ATOM 218 O ILE A 15 0.398 21.071 6.336 1.00 74.41 O ATOM 219 CB ILE A 15 1.732 22.478 8.890 1.00 62.55 C ATOM 220 CG1 ILE A 15 2.755 23.429 9.513 1.00 10.33 C ATOM 221 CG2 ILE A 15 2.284 21.061 8.834 1.00 31.22 C ATOM 222 CD1 ILE A 15 3.980 23.649 8.653 1.00 74.31 C ATOM 0 H ILE A 15 1.060 24.826 8.385 1.00 15.03 H new ATOM 0 HA ILE A 15 2.202 22.840 6.815 1.00 23.23 H new ATOM 0 HB ILE A 15 0.839 22.475 9.515 1.00 62.55 H new ATOM 0 HG12 ILE A 15 2.277 24.390 9.702 1.00 10.33 H new ATOM 0 HG13 ILE A 15 3.066 23.032 10.479 1.00 10.33 H new ATOM 0 HG21 ILE A 15 2.553 20.735 9.839 1.00 31.22 H new ATOM 0 HG22 ILE A 15 1.527 20.391 8.426 1.00 31.22 H new ATOM 0 HG23 ILE A 15 3.168 21.040 8.197 1.00 31.22 H new ATOM 0 HD11 ILE A 15 4.661 24.334 9.158 1.00 74.31 H new ATOM 0 HD12 ILE A 15 4.482 22.696 8.485 1.00 74.31 H new ATOM 0 HD13 ILE A 15 3.681 24.076 7.696 1.00 74.31 H new ATOM 234 N ARG A 16 -1.034 22.557 7.233 1.00 4.42 N ATOM 235 CA ARG A 16 -2.225 21.839 6.797 1.00 1.01 C ATOM 236 C ARG A 16 -2.434 21.996 5.294 1.00 74.42 C ATOM 237 O ARG A 16 -2.921 21.083 4.627 1.00 74.22 O ATOM 238 CB ARG A 16 -3.456 22.346 7.550 1.00 53.11 C ATOM 239 CG ARG A 16 -3.302 22.313 9.062 1.00 53.03 C ATOM 240 CD ARG A 16 -4.267 21.324 9.698 1.00 4.44 C ATOM 241 NE ARG A 16 -4.770 21.801 10.984 1.00 53.45 N ATOM 242 CZ ARG A 16 -5.742 22.699 11.105 1.00 40.04 C ATOM 243 NH1 ARG A 16 -6.312 23.214 10.024 1.00 61.21 N ATOM 244 NH2 ARG A 16 -6.146 23.083 12.309 1.00 42.02 N ATOM 0 H ARG A 16 -1.225 23.415 7.751 1.00 4.42 H new ATOM 0 HA ARG A 16 -2.083 20.781 7.018 1.00 1.01 H new ATOM 0 HB2 ARG A 16 -3.667 23.369 7.237 1.00 53.11 H new ATOM 0 HB3 ARG A 16 -4.318 21.742 7.268 1.00 53.11 H new ATOM 0 HG2 ARG A 16 -2.278 22.041 9.319 1.00 53.03 H new ATOM 0 HG3 ARG A 16 -3.479 23.309 9.469 1.00 53.03 H new ATOM 0 HD2 ARG A 16 -5.105 21.150 9.023 1.00 4.44 H new ATOM 0 HD3 ARG A 16 -3.765 20.366 9.837 1.00 4.44 H new ATOM 0 HE ARG A 16 -4.353 21.424 11.835 1.00 53.45 H new ATOM 0 HH11 ARG A 16 -6.005 22.921 9.097 1.00 61.21 H new ATOM 0 HH12 ARG A 16 -7.058 23.903 10.120 1.00 61.21 H new ATOM 0 HH21 ARG A 16 -5.710 22.689 13.143 1.00 42.02 H new ATOM 0 HH22 ARG A 16 -6.892 23.772 12.401 1.00 42.02 H new ATOM 258 N TRP A 17 -2.064 23.158 4.768 1.00 21.43 N ATOM 259 CA TRP A 17 -2.212 23.434 3.344 1.00 62.22 C ATOM 260 C TRP A 17 -1.194 22.645 2.528 1.00 61.33 C ATOM 261 O TRP A 17 -1.560 21.839 1.672 1.00 51.11 O ATOM 262 CB TRP A 17 -2.050 24.931 3.074 1.00 20.31 C ATOM 263 CG TRP A 17 -1.792 25.250 1.633 1.00 50.04 C ATOM 264 CD1 TRP A 17 -2.695 25.205 0.609 1.00 41.21 C ATOM 265 CD2 TRP A 17 -0.548 25.661 1.055 1.00 10.13 C ATOM 266 NE1 TRP A 17 -2.087 25.564 -0.570 1.00 70.31 N ATOM 267 CE2 TRP A 17 -0.770 25.849 -0.323 1.00 33.10 C ATOM 268 CE3 TRP A 17 0.731 25.891 1.569 1.00 62.14 C ATOM 269 CZ2 TRP A 17 0.240 26.254 -1.191 1.00 61.01 C ATOM 270 CZ3 TRP A 17 1.733 26.293 0.706 1.00 70.54 C ATOM 271 CH2 TRP A 17 1.483 26.472 -0.661 1.00 71.45 C ATOM 0 H TRP A 17 -1.659 23.924 5.306 1.00 21.43 H new ATOM 0 HA TRP A 17 -3.212 23.123 3.041 1.00 62.22 H new ATOM 0 HB2 TRP A 17 -2.952 25.451 3.398 1.00 20.31 H new ATOM 0 HB3 TRP A 17 -1.227 25.315 3.677 1.00 20.31 H new ATOM 0 HD1 TRP A 17 -3.734 24.928 0.711 1.00 41.21 H new ATOM 0 HE1 TRP A 17 -2.543 25.611 -1.481 1.00 70.31 H new ATOM 0 HE3 TRP A 17 0.933 25.757 2.621 1.00 62.14 H new ATOM 0 HZ2 TRP A 17 0.050 26.391 -2.245 1.00 61.01 H new ATOM 0 HZ3 TRP A 17 2.726 26.472 1.092 1.00 70.54 H new ATOM 0 HH2 TRP A 17 2.287 26.788 -1.309 1.00 71.45 H new ATOM 282 N VAL A 18 0.086 22.881 2.798 1.00 60.11 N ATOM 283 CA VAL A 18 1.157 22.191 2.089 1.00 20.31 C ATOM 284 C VAL A 18 0.926 20.684 2.078 1.00 65.32 C ATOM 285 O VAL A 18 1.256 20.001 1.107 1.00 43.32 O ATOM 286 CB VAL A 18 2.530 22.484 2.723 1.00 52.20 C ATOM 287 CG1 VAL A 18 3.036 23.852 2.291 1.00 62.11 C ATOM 288 CG2 VAL A 18 2.447 22.392 4.239 1.00 32.21 C ATOM 0 H VAL A 18 0.406 23.545 3.503 1.00 60.11 H new ATOM 0 HA VAL A 18 1.151 22.565 1.065 1.00 20.31 H new ATOM 0 HB VAL A 18 3.240 21.734 2.375 1.00 52.20 H new ATOM 0 HG11 VAL A 18 4.007 24.042 2.748 1.00 62.11 H new ATOM 0 HG12 VAL A 18 3.135 23.877 1.206 1.00 62.11 H new ATOM 0 HG13 VAL A 18 2.329 24.618 2.609 1.00 62.11 H new ATOM 0 HG21 VAL A 18 3.426 22.602 4.670 1.00 32.21 H new ATOM 0 HG22 VAL A 18 1.724 23.119 4.609 1.00 32.21 H new ATOM 0 HG23 VAL A 18 2.132 21.389 4.526 1.00 32.21 H new ATOM 298 N LEU A 19 0.358 20.170 3.163 1.00 72.22 N ATOM 299 CA LEU A 19 0.082 18.742 3.278 1.00 33.05 C ATOM 300 C LEU A 19 -0.963 18.305 2.257 1.00 35.11 C ATOM 301 O LEU A 19 -0.713 17.422 1.438 1.00 65.21 O ATOM 302 CB LEU A 19 -0.399 18.408 4.692 1.00 50.42 C ATOM 303 CG LEU A 19 0.686 18.010 5.693 1.00 13.43 C ATOM 304 CD1 LEU A 19 0.084 17.788 7.072 1.00 13.00 C ATOM 305 CD2 LEU A 19 1.416 16.762 5.220 1.00 30.15 C ATOM 0 H LEU A 19 0.080 20.720 3.976 1.00 72.22 H new ATOM 0 HA LEU A 19 1.007 18.201 3.078 1.00 33.05 H new ATOM 0 HB2 LEU A 19 -0.930 19.274 5.087 1.00 50.42 H new ATOM 0 HB3 LEU A 19 -1.121 17.594 4.626 1.00 50.42 H new ATOM 0 HG LEU A 19 1.407 18.824 5.761 1.00 13.43 H new ATOM 0 HD11 LEU A 19 0.871 17.505 7.771 1.00 13.00 H new ATOM 0 HD12 LEU A 19 -0.392 18.707 7.413 1.00 13.00 H new ATOM 0 HD13 LEU A 19 -0.659 16.992 7.021 1.00 13.00 H new ATOM 0 HD21 LEU A 19 2.185 16.493 5.945 1.00 30.15 H new ATOM 0 HD22 LEU A 19 0.706 15.940 5.122 1.00 30.15 H new ATOM 0 HD23 LEU A 19 1.881 16.957 4.253 1.00 30.15 H new ATOM 317 N GLU A 20 -2.135 18.931 2.312 1.00 41.24 N ATOM 318 CA GLU A 20 -3.217 18.607 1.390 1.00 52.13 C ATOM 319 C GLU A 20 -2.732 18.652 -0.056 1.00 61.04 C ATOM 320 O GLU A 20 -3.028 17.758 -0.849 1.00 43.05 O ATOM 321 CB GLU A 20 -4.385 19.578 1.578 1.00 61.33 C ATOM 322 CG GLU A 20 -5.579 19.273 0.689 1.00 60.11 C ATOM 323 CD GLU A 20 -6.205 20.524 0.104 1.00 73.21 C ATOM 324 OE1 GLU A 20 -5.603 21.112 -0.818 1.00 41.53 O ATOM 325 OE2 GLU A 20 -7.297 20.914 0.568 1.00 42.21 O ATOM 0 H GLU A 20 -2.359 19.664 2.985 1.00 41.24 H new ATOM 0 HA GLU A 20 -3.556 17.595 1.610 1.00 52.13 H new ATOM 0 HB2 GLU A 20 -4.703 19.553 2.620 1.00 61.33 H new ATOM 0 HB3 GLU A 20 -4.040 20.592 1.374 1.00 61.33 H new ATOM 0 HG2 GLU A 20 -5.265 18.615 -0.121 1.00 60.11 H new ATOM 0 HG3 GLU A 20 -6.329 18.732 1.267 1.00 60.11 H new ATOM 332 N ARG A 21 -1.986 19.699 -0.392 1.00 2.43 N ATOM 333 CA ARG A 21 -1.461 19.863 -1.742 1.00 21.40 C ATOM 334 C ARG A 21 -0.601 18.666 -2.139 1.00 53.14 C ATOM 335 O ARG A 21 -0.454 18.360 -3.322 1.00 55.54 O ATOM 336 CB ARG A 21 -0.640 21.149 -1.841 1.00 5.43 C ATOM 337 CG ARG A 21 -1.113 22.092 -2.936 1.00 23.54 C ATOM 338 CD ARG A 21 -0.742 23.534 -2.628 1.00 63.12 C ATOM 339 NE ARG A 21 0.264 24.049 -3.553 1.00 41.32 N ATOM 340 CZ ARG A 21 -0.004 24.412 -4.803 1.00 23.13 C ATOM 341 NH1 ARG A 21 -1.239 24.316 -5.274 1.00 13.21 N ATOM 342 NH2 ARG A 21 0.966 24.872 -5.584 1.00 35.24 N ATOM 0 H ARG A 21 -1.731 20.447 0.253 1.00 2.43 H new ATOM 0 HA ARG A 21 -2.306 19.926 -2.428 1.00 21.40 H new ATOM 0 HB2 ARG A 21 -0.679 21.669 -0.884 1.00 5.43 H new ATOM 0 HB3 ARG A 21 0.403 20.891 -2.022 1.00 5.43 H new ATOM 0 HG2 ARG A 21 -0.671 21.797 -3.888 1.00 23.54 H new ATOM 0 HG3 ARG A 21 -2.194 22.009 -3.047 1.00 23.54 H new ATOM 0 HD2 ARG A 21 -1.635 24.157 -2.680 1.00 63.12 H new ATOM 0 HD3 ARG A 21 -0.365 23.601 -1.608 1.00 63.12 H new ATOM 0 HE ARG A 21 1.225 24.135 -3.222 1.00 41.32 H new ATOM 0 HH11 ARG A 21 -1.987 23.963 -4.677 1.00 13.21 H new ATOM 0 HH12 ARG A 21 -1.442 24.595 -6.234 1.00 13.21 H new ATOM 0 HH21 ARG A 21 1.918 24.947 -5.225 1.00 35.24 H new ATOM 0 HH22 ARG A 21 0.760 25.150 -6.543 1.00 35.24 H new ATOM 356 N ALA A 22 -0.035 17.994 -1.143 1.00 33.43 N ATOM 357 CA ALA A 22 0.808 16.830 -1.388 1.00 1.30 C ATOM 358 C ALA A 22 -0.022 15.552 -1.443 1.00 40.35 C ATOM 359 O ALA A 22 -0.011 14.835 -2.445 1.00 45.30 O ATOM 360 CB ALA A 22 1.880 16.720 -0.314 1.00 31.43 C ATOM 0 H ALA A 22 -0.145 18.235 -0.158 1.00 33.43 H new ATOM 0 HA ALA A 22 1.291 16.959 -2.356 1.00 1.30 H new ATOM 0 HB1 ALA A 22 2.502 15.847 -0.509 1.00 31.43 H new ATOM 0 HB2 ALA A 22 2.500 17.617 -0.325 1.00 31.43 H new ATOM 0 HB3 ALA A 22 1.407 16.618 0.663 1.00 31.43 H new ATOM 366 N LEU A 23 -0.741 15.272 -0.362 1.00 62.01 N ATOM 367 CA LEU A 23 -1.577 14.079 -0.287 1.00 70.14 C ATOM 368 C LEU A 23 -2.636 14.087 -1.385 1.00 71.40 C ATOM 369 O LEU A 23 -2.688 13.182 -2.218 1.00 4.21 O ATOM 370 CB LEU A 23 -2.248 13.988 1.084 1.00 33.31 C ATOM 371 CG LEU A 23 -1.356 14.289 2.289 1.00 35.32 C ATOM 372 CD1 LEU A 23 -2.141 14.142 3.584 1.00 50.13 C ATOM 373 CD2 LEU A 23 -0.140 13.374 2.294 1.00 11.31 C ATOM 0 H LEU A 23 -0.762 15.855 0.475 1.00 62.01 H new ATOM 0 HA LEU A 23 -0.938 13.208 -0.430 1.00 70.14 H new ATOM 0 HB2 LEU A 23 -3.091 14.678 1.100 1.00 33.31 H new ATOM 0 HB3 LEU A 23 -2.656 12.984 1.201 1.00 33.31 H new ATOM 0 HG LEU A 23 -1.010 15.320 2.212 1.00 35.32 H new ATOM 0 HD11 LEU A 23 -1.490 14.360 4.431 1.00 50.13 H new ATOM 0 HD12 LEU A 23 -2.980 14.838 3.582 1.00 50.13 H new ATOM 0 HD13 LEU A 23 -2.516 13.122 3.668 1.00 50.13 H new ATOM 0 HD21 LEU A 23 0.484 13.602 3.158 1.00 11.31 H new ATOM 0 HD22 LEU A 23 -0.466 12.335 2.346 1.00 11.31 H new ATOM 0 HD23 LEU A 23 0.435 13.528 1.381 1.00 11.31 H new ATOM 385 N ALA A 24 -3.478 15.115 -1.381 1.00 30.14 N ATOM 386 CA ALA A 24 -4.533 15.243 -2.378 1.00 70.22 C ATOM 387 C ALA A 24 -3.964 15.170 -3.791 1.00 72.02 C ATOM 388 O ALA A 24 -4.662 14.799 -4.734 1.00 15.13 O ATOM 389 CB ALA A 24 -5.292 16.546 -2.179 1.00 53.24 C ATOM 0 H ALA A 24 -3.450 15.872 -0.698 1.00 30.14 H new ATOM 0 HA ALA A 24 -5.224 14.410 -2.249 1.00 70.22 H new ATOM 0 HB1 ALA A 24 -6.077 16.628 -2.931 1.00 53.24 H new ATOM 0 HB2 ALA A 24 -5.739 16.559 -1.185 1.00 53.24 H new ATOM 0 HB3 ALA A 24 -4.605 17.386 -2.279 1.00 53.24 H new ATOM 395 N GLY A 25 -2.691 15.528 -3.931 1.00 71.40 N ATOM 396 CA GLY A 25 -2.051 15.496 -5.233 1.00 4.41 C ATOM 397 C GLY A 25 -1.484 14.131 -5.568 1.00 34.21 C ATOM 398 O GLY A 25 -1.435 13.741 -6.734 1.00 45.31 O ATOM 0 H GLY A 25 -2.092 15.839 -3.166 1.00 71.40 H new ATOM 0 HA2 GLY A 25 -2.774 15.783 -5.997 1.00 4.41 H new ATOM 0 HA3 GLY A 25 -1.250 16.235 -5.259 1.00 4.41 H new ATOM 402 N ALA A 26 -1.055 13.402 -4.543 1.00 1.23 N ATOM 403 CA ALA A 26 -0.490 12.072 -4.734 1.00 43.42 C ATOM 404 C ALA A 26 -1.546 10.992 -4.530 1.00 54.12 C ATOM 405 O ALA A 26 -1.247 9.800 -4.581 1.00 32.14 O ATOM 406 CB ALA A 26 0.680 11.855 -3.786 1.00 63.33 C ATOM 0 H ALA A 26 -1.088 13.710 -3.571 1.00 1.23 H new ATOM 0 HA ALA A 26 -0.130 12.001 -5.760 1.00 43.42 H new ATOM 0 HB1 ALA A 26 1.092 10.858 -3.939 1.00 63.33 H new ATOM 0 HB2 ALA A 26 1.451 12.601 -3.982 1.00 63.33 H new ATOM 0 HB3 ALA A 26 0.336 11.951 -2.756 1.00 63.33 H new ATOM 412 N GLY A 27 -2.785 11.418 -4.299 1.00 23.12 N ATOM 413 CA GLY A 27 -3.867 10.474 -4.090 1.00 22.24 C ATOM 414 C GLY A 27 -4.010 10.069 -2.636 1.00 21.30 C ATOM 415 O GLY A 27 -5.008 9.459 -2.249 1.00 1.32 O ATOM 0 H GLY A 27 -3.058 12.400 -4.253 1.00 23.12 H new ATOM 0 HA2 GLY A 27 -4.802 10.916 -4.435 1.00 22.24 H new ATOM 0 HA3 GLY A 27 -3.692 9.585 -4.696 1.00 22.24 H new ATOM 419 N LEU A 28 -3.010 10.405 -1.829 1.00 12.44 N ATOM 420 CA LEU A 28 -3.028 10.071 -0.409 1.00 1.44 C ATOM 421 C LEU A 28 -4.163 10.797 0.307 1.00 22.53 C ATOM 422 O LEU A 28 -4.415 11.976 0.060 1.00 42.31 O ATOM 423 CB LEU A 28 -1.689 10.433 0.237 1.00 31.41 C ATOM 424 CG LEU A 28 -0.437 9.961 -0.504 1.00 55.32 C ATOM 425 CD1 LEU A 28 0.793 10.696 0.005 1.00 52.23 C ATOM 426 CD2 LEU A 28 -0.263 8.457 -0.353 1.00 41.23 C ATOM 0 H LEU A 28 -2.177 10.908 -2.133 1.00 12.44 H new ATOM 0 HA LEU A 28 -3.192 8.997 -0.316 1.00 1.44 H new ATOM 0 HB2 LEU A 28 -1.639 11.517 0.340 1.00 31.41 H new ATOM 0 HB3 LEU A 28 -1.670 10.016 1.244 1.00 31.41 H new ATOM 0 HG LEU A 28 -0.558 10.188 -1.563 1.00 55.32 H new ATOM 0 HD11 LEU A 28 1.674 10.347 -0.534 1.00 52.23 H new ATOM 0 HD12 LEU A 28 0.670 11.767 -0.156 1.00 52.23 H new ATOM 0 HD13 LEU A 28 0.918 10.501 1.070 1.00 52.23 H new ATOM 0 HD21 LEU A 28 0.633 8.139 -0.887 1.00 41.23 H new ATOM 0 HD22 LEU A 28 -0.164 8.206 0.703 1.00 41.23 H new ATOM 0 HD23 LEU A 28 -1.133 7.947 -0.767 1.00 41.23 H new ATOM 438 N THR A 29 -4.845 10.084 1.199 1.00 62.45 N ATOM 439 CA THR A 29 -5.952 10.659 1.952 1.00 70.34 C ATOM 440 C THR A 29 -5.464 11.744 2.905 1.00 61.24 C ATOM 441 O THR A 29 -4.608 11.497 3.755 1.00 44.12 O ATOM 442 CB THR A 29 -6.702 9.582 2.759 1.00 40.15 C ATOM 443 OG1 THR A 29 -7.071 8.496 1.902 1.00 63.25 O ATOM 444 CG2 THR A 29 -7.946 10.164 3.412 1.00 53.22 C ATOM 0 H THR A 29 -4.649 9.107 1.417 1.00 62.45 H new ATOM 0 HA THR A 29 -6.634 11.098 1.225 1.00 70.34 H new ATOM 0 HB THR A 29 -6.037 9.217 3.542 1.00 40.15 H new ATOM 0 HG1 THR A 29 -7.546 7.815 2.423 1.00 63.25 H new ATOM 0 HG21 THR A 29 -8.459 9.385 3.976 1.00 53.22 H new ATOM 0 HG22 THR A 29 -7.659 10.971 4.086 1.00 53.22 H new ATOM 0 HG23 THR A 29 -8.613 10.553 2.642 1.00 53.22 H new ATOM 452 N CYS A 30 -6.014 12.944 2.758 1.00 4.11 N ATOM 453 CA CYS A 30 -5.633 14.068 3.607 1.00 75.12 C ATOM 454 C CYS A 30 -6.648 14.270 4.728 1.00 25.21 C ATOM 455 O CYS A 30 -7.857 14.224 4.502 1.00 13.13 O ATOM 456 CB CYS A 30 -5.514 15.345 2.774 1.00 15.23 C ATOM 457 SG CYS A 30 -5.187 16.833 3.748 1.00 43.10 S ATOM 0 H CYS A 30 -6.724 13.164 2.060 1.00 4.11 H new ATOM 0 HA CYS A 30 -4.665 13.843 4.054 1.00 75.12 H new ATOM 0 HB2 CYS A 30 -4.714 15.217 2.045 1.00 15.23 H new ATOM 0 HB3 CYS A 30 -6.437 15.487 2.212 1.00 15.23 H new ATOM 0 HG CYS A 30 -5.877 17.825 3.269 1.00 43.10 H new ATOM 463 N THR A 31 -6.146 14.492 5.939 1.00 35.13 N ATOM 464 CA THR A 31 -7.008 14.698 7.097 1.00 62.22 C ATOM 465 C THR A 31 -6.416 15.734 8.045 1.00 11.31 C ATOM 466 O THR A 31 -5.200 15.801 8.229 1.00 52.22 O ATOM 467 CB THR A 31 -7.236 13.384 7.868 1.00 0.11 C ATOM 468 OG1 THR A 31 -7.841 12.411 7.010 1.00 72.24 O ATOM 469 CG2 THR A 31 -8.121 13.617 9.083 1.00 75.30 C ATOM 0 H THR A 31 -5.148 14.534 6.143 1.00 35.13 H new ATOM 0 HA THR A 31 -7.964 15.060 6.719 1.00 62.22 H new ATOM 0 HB THR A 31 -6.268 13.015 8.208 1.00 0.11 H new ATOM 0 HG1 THR A 31 -7.651 11.512 7.350 1.00 72.24 H new ATOM 0 HG21 THR A 31 -8.268 12.675 9.612 1.00 75.30 H new ATOM 0 HG22 THR A 31 -7.643 14.336 9.748 1.00 75.30 H new ATOM 0 HG23 THR A 31 -9.086 14.007 8.761 1.00 75.30 H new ATOM 477 N THR A 32 -7.283 16.542 8.647 1.00 14.41 N ATOM 478 CA THR A 32 -6.846 17.576 9.577 1.00 54.44 C ATOM 479 C THR A 32 -7.935 17.897 10.594 1.00 54.01 C ATOM 480 O THR A 32 -9.126 17.781 10.302 1.00 63.34 O ATOM 481 CB THR A 32 -6.455 18.869 8.836 1.00 72.13 C ATOM 482 OG1 THR A 32 -7.480 19.228 7.903 1.00 53.23 O ATOM 483 CG2 THR A 32 -5.134 18.694 8.102 1.00 21.44 C ATOM 0 H THR A 32 -8.292 16.500 8.507 1.00 14.41 H new ATOM 0 HA THR A 32 -5.971 17.184 10.096 1.00 54.44 H new ATOM 0 HB THR A 32 -6.341 19.663 9.574 1.00 72.13 H new ATOM 0 HG1 THR A 32 -7.225 20.052 7.437 1.00 53.23 H new ATOM 0 HG21 THR A 32 -4.879 19.620 7.586 1.00 21.44 H new ATOM 0 HG22 THR A 32 -4.350 18.449 8.818 1.00 21.44 H new ATOM 0 HG23 THR A 32 -5.226 17.887 7.375 1.00 21.44 H new ATOM 491 N PHE A 33 -7.521 18.302 11.790 1.00 63.12 N ATOM 492 CA PHE A 33 -8.462 18.639 12.851 1.00 2.44 C ATOM 493 C PHE A 33 -8.014 19.893 13.597 1.00 3.01 C ATOM 494 O PHE A 33 -8.514 20.989 13.346 1.00 71.32 O ATOM 495 CB PHE A 33 -8.599 17.472 13.830 1.00 32.35 C ATOM 496 CG PHE A 33 -9.037 16.191 13.179 1.00 51.33 C ATOM 497 CD1 PHE A 33 -10.363 15.995 12.828 1.00 40.34 C ATOM 498 CD2 PHE A 33 -8.123 15.183 12.918 1.00 42.44 C ATOM 499 CE1 PHE A 33 -10.769 14.818 12.227 1.00 12.33 C ATOM 500 CE2 PHE A 33 -8.523 14.005 12.317 1.00 30.32 C ATOM 501 CZ PHE A 33 -9.848 13.821 11.973 1.00 50.42 C ATOM 0 H PHE A 33 -6.540 18.405 12.048 1.00 63.12 H new ATOM 0 HA PHE A 33 -9.431 18.836 12.393 1.00 2.44 H new ATOM 0 HB2 PHE A 33 -7.642 17.310 14.325 1.00 32.35 H new ATOM 0 HB3 PHE A 33 -9.317 17.741 14.605 1.00 32.35 H new ATOM 0 HD1 PHE A 33 -11.088 16.771 13.026 1.00 40.34 H new ATOM 0 HD2 PHE A 33 -7.086 15.320 13.187 1.00 42.44 H new ATOM 0 HE1 PHE A 33 -11.805 14.678 11.956 1.00 12.33 H new ATOM 0 HE2 PHE A 33 -7.800 13.228 12.116 1.00 30.32 H new ATOM 0 HZ PHE A 33 -10.163 12.899 11.506 1.00 50.42 H new ATOM 511 N GLU A 34 -7.068 19.722 14.516 1.00 70.25 N ATOM 512 CA GLU A 34 -6.554 20.839 15.299 1.00 43.01 C ATOM 513 C GLU A 34 -5.601 20.349 16.386 1.00 73.43 C ATOM 514 O GLU A 34 -4.395 20.582 16.320 1.00 72.40 O ATOM 515 CB GLU A 34 -7.707 21.621 15.931 1.00 42.31 C ATOM 516 CG GLU A 34 -7.830 23.046 15.416 1.00 34.41 C ATOM 517 CD GLU A 34 -8.026 24.054 16.531 1.00 14.04 C ATOM 518 OE1 GLU A 34 -7.227 24.042 17.491 1.00 71.34 O ATOM 519 OE2 GLU A 34 -8.980 24.856 16.444 1.00 2.13 O ATOM 0 H GLU A 34 -6.643 18.821 14.736 1.00 70.25 H new ATOM 0 HA GLU A 34 -6.003 21.497 14.627 1.00 43.01 H new ATOM 0 HB2 GLU A 34 -8.641 21.093 15.740 1.00 42.31 H new ATOM 0 HB3 GLU A 34 -7.569 21.645 17.012 1.00 42.31 H new ATOM 0 HG2 GLU A 34 -6.933 23.303 14.852 1.00 34.41 H new ATOM 0 HG3 GLU A 34 -8.670 23.107 14.724 1.00 34.41 H new ATOM 526 N ASN A 35 -6.153 19.669 17.385 1.00 34.52 N ATOM 527 CA ASN A 35 -5.354 19.146 18.487 1.00 31.15 C ATOM 528 C ASN A 35 -5.634 17.662 18.707 1.00 42.24 C ATOM 529 O ASN A 35 -6.615 17.123 18.197 1.00 71.10 O ATOM 530 CB ASN A 35 -5.645 19.926 19.771 1.00 53.31 C ATOM 531 CG ASN A 35 -7.101 20.339 19.879 1.00 44.11 C ATOM 532 OD1 ASN A 35 -7.428 21.523 19.805 1.00 55.41 O ATOM 533 ND2 ASN A 35 -7.981 19.361 20.055 1.00 13.02 N ATOM 0 H ASN A 35 -7.150 19.467 17.454 1.00 34.52 H new ATOM 0 HA ASN A 35 -4.302 19.265 18.227 1.00 31.15 H new ATOM 0 HB2 ASN A 35 -5.379 19.314 20.633 1.00 53.31 H new ATOM 0 HB3 ASN A 35 -5.015 20.815 19.804 1.00 53.31 H new ATOM 0 HD21 ASN A 35 -8.975 19.577 20.135 1.00 13.02 H new ATOM 0 HD22 ASN A 35 -7.664 18.393 20.110 1.00 13.02 H new ATOM 540 N GLY A 36 -4.764 17.008 19.470 1.00 65.33 N ATOM 541 CA GLY A 36 -4.934 15.593 19.744 1.00 74.25 C ATOM 542 C GLY A 36 -6.342 15.255 20.192 1.00 34.01 C ATOM 543 O GLY A 36 -6.860 14.184 19.879 1.00 54.01 O ATOM 0 H GLY A 36 -3.944 17.433 19.903 1.00 65.33 H new ATOM 0 HA2 GLY A 36 -4.694 15.021 18.848 1.00 74.25 H new ATOM 0 HA3 GLY A 36 -4.227 15.288 20.516 1.00 74.25 H new ATOM 547 N ASN A 37 -6.963 16.171 20.929 1.00 24.43 N ATOM 548 CA ASN A 37 -8.319 15.963 21.424 1.00 42.01 C ATOM 549 C ASN A 37 -9.253 15.549 20.291 1.00 34.34 C ATOM 550 O ASN A 37 -9.955 14.543 20.390 1.00 61.42 O ATOM 551 CB ASN A 37 -8.841 17.237 22.091 1.00 52.00 C ATOM 552 CG ASN A 37 -9.536 16.956 23.409 1.00 14.11 C ATOM 553 OD1 ASN A 37 -10.239 15.955 23.552 1.00 3.13 O ATOM 554 ND2 ASN A 37 -9.344 17.841 24.380 1.00 4.30 N ATOM 0 H ASN A 37 -6.549 17.064 21.196 1.00 24.43 H new ATOM 0 HA ASN A 37 -8.292 15.160 22.161 1.00 42.01 H new ATOM 0 HB2 ASN A 37 -8.010 17.922 22.260 1.00 52.00 H new ATOM 0 HB3 ASN A 37 -9.535 17.739 21.417 1.00 52.00 H new ATOM 0 HD21 ASN A 37 -9.787 17.705 25.289 1.00 4.30 H new ATOM 0 HD22 ASN A 37 -8.753 18.656 24.217 1.00 4.30 H new ATOM 561 N GLU A 38 -9.256 16.332 19.217 1.00 20.30 N ATOM 562 CA GLU A 38 -10.105 16.046 18.066 1.00 25.42 C ATOM 563 C GLU A 38 -9.768 14.683 17.467 1.00 3.21 C ATOM 564 O GLU A 38 -10.638 13.825 17.321 1.00 63.45 O ATOM 565 CB GLU A 38 -9.946 17.135 17.004 1.00 43.40 C ATOM 566 CG GLU A 38 -10.066 18.546 17.556 1.00 32.22 C ATOM 567 CD GLU A 38 -11.050 19.396 16.776 1.00 61.23 C ATOM 568 OE1 GLU A 38 -10.683 19.876 15.683 1.00 14.20 O ATOM 569 OE2 GLU A 38 -12.187 19.580 17.258 1.00 10.14 O ATOM 0 H GLU A 38 -8.681 17.169 19.120 1.00 20.30 H new ATOM 0 HA GLU A 38 -11.141 16.029 18.406 1.00 25.42 H new ATOM 0 HB2 GLU A 38 -8.974 17.023 16.524 1.00 43.40 H new ATOM 0 HB3 GLU A 38 -10.701 16.991 16.232 1.00 43.40 H new ATOM 0 HG2 GLU A 38 -10.380 18.499 18.599 1.00 32.22 H new ATOM 0 HG3 GLU A 38 -9.086 19.023 17.539 1.00 32.22 H new ATOM 576 N VAL A 39 -8.498 14.493 17.122 1.00 72.50 N ATOM 577 CA VAL A 39 -8.045 13.235 16.539 1.00 1.22 C ATOM 578 C VAL A 39 -8.520 12.044 17.364 1.00 54.41 C ATOM 579 O VAL A 39 -8.774 10.965 16.827 1.00 12.12 O ATOM 580 CB VAL A 39 -6.509 13.189 16.429 1.00 13.10 C ATOM 581 CG1 VAL A 39 -6.029 11.756 16.255 1.00 52.33 C ATOM 582 CG2 VAL A 39 -6.032 14.064 15.280 1.00 64.22 C ATOM 0 H VAL A 39 -7.765 15.193 17.236 1.00 72.50 H new ATOM 0 HA VAL A 39 -8.476 13.176 15.540 1.00 1.22 H new ATOM 0 HB VAL A 39 -6.083 13.579 17.353 1.00 13.10 H new ATOM 0 HG11 VAL A 39 -4.942 11.743 16.179 1.00 52.33 H new ATOM 0 HG12 VAL A 39 -6.340 11.161 17.114 1.00 52.33 H new ATOM 0 HG13 VAL A 39 -6.461 11.335 15.347 1.00 52.33 H new ATOM 0 HG21 VAL A 39 -4.945 14.020 15.216 1.00 64.22 H new ATOM 0 HG22 VAL A 39 -6.465 13.706 14.346 1.00 64.22 H new ATOM 0 HG23 VAL A 39 -6.344 15.094 15.453 1.00 64.22 H new ATOM 592 N LEU A 40 -8.640 12.247 18.671 1.00 5.13 N ATOM 593 CA LEU A 40 -9.086 11.190 19.572 1.00 63.20 C ATOM 594 C LEU A 40 -10.382 10.560 19.072 1.00 22.24 C ATOM 595 O LEU A 40 -10.447 9.354 18.836 1.00 23.23 O ATOM 596 CB LEU A 40 -9.286 11.746 20.983 1.00 71.41 C ATOM 597 CG LEU A 40 -8.806 10.855 22.130 1.00 40.24 C ATOM 598 CD1 LEU A 40 -9.298 9.429 21.940 1.00 60.23 C ATOM 599 CD2 LEU A 40 -7.288 10.889 22.231 1.00 20.32 C ATOM 0 H LEU A 40 -8.435 13.134 19.131 1.00 5.13 H new ATOM 0 HA LEU A 40 -8.316 10.419 19.598 1.00 63.20 H new ATOM 0 HB2 LEU A 40 -8.768 12.703 21.052 1.00 71.41 H new ATOM 0 HB3 LEU A 40 -10.348 11.947 21.126 1.00 71.41 H new ATOM 0 HG LEU A 40 -9.221 11.239 23.062 1.00 40.24 H new ATOM 0 HD11 LEU A 40 -8.947 8.810 22.765 1.00 60.23 H new ATOM 0 HD12 LEU A 40 -10.388 9.420 21.918 1.00 60.23 H new ATOM 0 HD13 LEU A 40 -8.913 9.033 21.000 1.00 60.23 H new ATOM 0 HD21 LEU A 40 -6.964 10.250 23.052 1.00 20.32 H new ATOM 0 HD22 LEU A 40 -6.853 10.530 21.298 1.00 20.32 H new ATOM 0 HD23 LEU A 40 -6.958 11.912 22.415 1.00 20.32 H new ATOM 611 N ALA A 41 -11.411 11.385 18.912 1.00 72.13 N ATOM 612 CA ALA A 41 -12.704 10.909 18.436 1.00 53.41 C ATOM 613 C ALA A 41 -12.546 10.034 17.197 1.00 4.13 C ATOM 614 O ALA A 41 -13.309 9.091 16.990 1.00 40.50 O ATOM 615 CB ALA A 41 -13.623 12.086 18.139 1.00 24.21 C ATOM 0 H ALA A 41 -11.375 12.386 19.105 1.00 72.13 H new ATOM 0 HA ALA A 41 -13.151 10.301 19.223 1.00 53.41 H new ATOM 0 HB1 ALA A 41 -14.585 11.716 17.784 1.00 24.21 H new ATOM 0 HB2 ALA A 41 -13.771 12.670 19.047 1.00 24.21 H new ATOM 0 HB3 ALA A 41 -13.172 12.716 17.372 1.00 24.21 H new ATOM 621 N ALA A 42 -11.550 10.353 16.377 1.00 60.02 N ATOM 622 CA ALA A 42 -11.291 9.594 15.159 1.00 2.53 C ATOM 623 C ALA A 42 -10.449 8.357 15.452 1.00 12.02 C ATOM 624 O ALA A 42 -10.628 7.310 14.828 1.00 32.04 O ATOM 625 CB ALA A 42 -10.600 10.473 14.127 1.00 5.12 C ATOM 0 H ALA A 42 -10.910 11.131 16.534 1.00 60.02 H new ATOM 0 HA ALA A 42 -12.248 9.263 14.756 1.00 2.53 H new ATOM 0 HB1 ALA A 42 -10.413 9.894 13.223 1.00 5.12 H new ATOM 0 HB2 ALA A 42 -11.238 11.323 13.887 1.00 5.12 H new ATOM 0 HB3 ALA A 42 -9.653 10.832 14.530 1.00 5.12 H new ATOM 631 N LEU A 43 -9.531 8.484 16.404 1.00 62.54 N ATOM 632 CA LEU A 43 -8.660 7.375 16.779 1.00 72.20 C ATOM 633 C LEU A 43 -9.478 6.176 17.249 1.00 65.42 C ATOM 634 O LEU A 43 -9.314 5.065 16.745 1.00 20.21 O ATOM 635 CB LEU A 43 -7.693 7.811 17.881 1.00 30.50 C ATOM 636 CG LEU A 43 -6.423 8.524 17.416 1.00 12.20 C ATOM 637 CD1 LEU A 43 -5.720 9.183 18.593 1.00 62.25 C ATOM 638 CD2 LEU A 43 -5.491 7.549 16.712 1.00 5.15 C ATOM 0 H LEU A 43 -9.370 9.343 16.930 1.00 62.54 H new ATOM 0 HA LEU A 43 -8.089 7.079 15.899 1.00 72.20 H new ATOM 0 HB2 LEU A 43 -8.227 8.471 18.565 1.00 30.50 H new ATOM 0 HB3 LEU A 43 -7.402 6.929 18.452 1.00 30.50 H new ATOM 0 HG LEU A 43 -6.705 9.302 16.706 1.00 12.20 H new ATOM 0 HD11 LEU A 43 -4.818 9.686 18.243 1.00 62.25 H new ATOM 0 HD12 LEU A 43 -6.387 9.912 19.053 1.00 62.25 H new ATOM 0 HD13 LEU A 43 -5.451 8.424 19.327 1.00 62.25 H new ATOM 0 HD21 LEU A 43 -4.592 8.074 16.388 1.00 5.15 H new ATOM 0 HD22 LEU A 43 -5.216 6.748 17.399 1.00 5.15 H new ATOM 0 HD23 LEU A 43 -5.996 7.125 15.844 1.00 5.15 H new ATOM 650 N ALA A 44 -10.359 6.409 18.216 1.00 51.15 N ATOM 651 CA ALA A 44 -11.205 5.349 18.750 1.00 11.31 C ATOM 652 C ALA A 44 -11.996 4.665 17.640 1.00 44.30 C ATOM 653 O ALA A 44 -12.284 3.471 17.716 1.00 54.13 O ATOM 654 CB ALA A 44 -12.148 5.908 19.805 1.00 53.51 C ATOM 0 H ALA A 44 -10.505 7.322 18.646 1.00 51.15 H new ATOM 0 HA ALA A 44 -10.560 4.602 19.213 1.00 11.31 H new ATOM 0 HB1 ALA A 44 -12.774 5.106 20.195 1.00 53.51 H new ATOM 0 HB2 ALA A 44 -11.567 6.343 20.618 1.00 53.51 H new ATOM 0 HB3 ALA A 44 -12.779 6.676 19.358 1.00 53.51 H new ATOM 660 N SER A 45 -12.344 5.430 16.610 1.00 44.10 N ATOM 661 CA SER A 45 -13.105 4.898 15.486 1.00 52.21 C ATOM 662 C SER A 45 -12.203 4.105 14.545 1.00 32.35 C ATOM 663 O SER A 45 -12.545 3.000 14.122 1.00 15.41 O ATOM 664 CB SER A 45 -13.785 6.035 14.720 1.00 35.32 C ATOM 665 OG SER A 45 -15.006 6.405 15.336 1.00 15.55 O ATOM 0 H SER A 45 -12.111 6.420 16.531 1.00 44.10 H new ATOM 0 HA SER A 45 -13.868 4.227 15.881 1.00 52.21 H new ATOM 0 HB2 SER A 45 -13.120 6.897 14.677 1.00 35.32 H new ATOM 0 HB3 SER A 45 -13.972 5.725 13.692 1.00 35.32 H new ATOM 0 HG SER A 45 -15.420 7.134 14.829 1.00 15.55 H new ATOM 671 N LYS A 46 -11.048 4.676 14.222 1.00 21.12 N ATOM 672 CA LYS A 46 -10.094 4.024 13.333 1.00 22.20 C ATOM 673 C LYS A 46 -8.673 4.502 13.614 1.00 10.25 C ATOM 674 O LYS A 46 -8.467 5.486 14.326 1.00 31.12 O ATOM 675 CB LYS A 46 -10.456 4.300 11.872 1.00 72.30 C ATOM 676 CG LYS A 46 -10.613 3.041 11.036 1.00 14.22 C ATOM 677 CD LYS A 46 -9.881 3.157 9.710 1.00 5.32 C ATOM 678 CE LYS A 46 -8.372 3.172 9.906 1.00 33.14 C ATOM 679 NZ LYS A 46 -7.859 1.849 10.356 1.00 25.43 N ATOM 0 H LYS A 46 -10.750 5.590 14.563 1.00 21.12 H new ATOM 0 HA LYS A 46 -10.140 2.951 13.516 1.00 22.20 H new ATOM 0 HB2 LYS A 46 -11.386 4.867 11.838 1.00 72.30 H new ATOM 0 HB3 LYS A 46 -9.684 4.927 11.427 1.00 72.30 H new ATOM 0 HG2 LYS A 46 -10.229 2.185 11.591 1.00 14.22 H new ATOM 0 HG3 LYS A 46 -11.671 2.854 10.853 1.00 14.22 H new ATOM 0 HD2 LYS A 46 -10.157 2.322 9.066 1.00 5.32 H new ATOM 0 HD3 LYS A 46 -10.192 4.069 9.200 1.00 5.32 H new ATOM 0 HE2 LYS A 46 -7.887 3.451 8.971 1.00 33.14 H new ATOM 0 HE3 LYS A 46 -8.109 3.933 10.641 1.00 33.14 H new ATOM 0 HZ1 LYS A 46 -6.842 1.922 10.560 1.00 25.43 H new ATOM 0 HZ2 LYS A 46 -8.364 1.555 11.216 1.00 25.43 H new ATOM 0 HZ3 LYS A 46 -8.012 1.144 9.607 1.00 25.43 H new ATOM 693 N THR A 47 -7.695 3.801 13.050 1.00 25.13 N ATOM 694 CA THR A 47 -6.293 4.154 13.240 1.00 14.23 C ATOM 695 C THR A 47 -5.572 4.280 11.903 1.00 10.43 C ATOM 696 O THR A 47 -5.561 3.359 11.087 1.00 24.43 O ATOM 697 CB THR A 47 -5.564 3.111 14.108 1.00 42.31 C ATOM 698 OG1 THR A 47 -5.292 1.936 13.336 1.00 31.04 O ATOM 699 CG2 THR A 47 -6.397 2.743 15.326 1.00 23.13 C ATOM 0 H THR A 47 -7.848 2.985 12.457 1.00 25.13 H new ATOM 0 HA THR A 47 -6.276 5.117 13.751 1.00 14.23 H new ATOM 0 HB THR A 47 -4.625 3.547 14.449 1.00 42.31 H new ATOM 0 HG1 THR A 47 -5.539 2.094 12.401 1.00 31.04 H new ATOM 0 HG21 THR A 47 -5.862 2.005 15.924 1.00 23.13 H new ATOM 0 HG22 THR A 47 -6.577 3.635 15.926 1.00 23.13 H new ATOM 0 HG23 THR A 47 -7.350 2.325 15.002 1.00 23.13 H new ATOM 707 N PRO A 48 -4.954 5.448 11.671 1.00 11.14 N ATOM 708 CA PRO A 48 -4.217 5.722 10.434 1.00 75.21 C ATOM 709 C PRO A 48 -2.931 4.909 10.333 1.00 12.02 C ATOM 710 O PRO A 48 -2.588 4.156 11.245 1.00 14.30 O ATOM 711 CB PRO A 48 -3.900 7.216 10.533 1.00 24.24 C ATOM 712 CG PRO A 48 -3.898 7.506 11.995 1.00 55.45 C ATOM 713 CD PRO A 48 -4.927 6.591 12.600 1.00 64.04 C ATOM 0 HA PRO A 48 -4.793 5.453 9.548 1.00 75.21 H new ATOM 0 HB2 PRO A 48 -2.935 7.447 10.082 1.00 24.24 H new ATOM 0 HB3 PRO A 48 -4.647 7.815 10.011 1.00 24.24 H new ATOM 0 HG2 PRO A 48 -2.914 7.326 12.427 1.00 55.45 H new ATOM 0 HG3 PRO A 48 -4.144 8.551 12.186 1.00 55.45 H new ATOM 0 HD2 PRO A 48 -4.648 6.283 13.608 1.00 64.04 H new ATOM 0 HD3 PRO A 48 -5.902 7.074 12.672 1.00 64.04 H new ATOM 721 N ASP A 49 -2.223 5.066 9.220 1.00 13.32 N ATOM 722 CA ASP A 49 -0.973 4.348 9.001 1.00 33.22 C ATOM 723 C ASP A 49 0.204 5.111 9.600 1.00 21.44 C ATOM 724 O ASP A 49 1.278 4.548 9.814 1.00 30.21 O ATOM 725 CB ASP A 49 -0.744 4.124 7.506 1.00 51.14 C ATOM 726 CG ASP A 49 -0.574 2.658 7.159 1.00 55.12 C ATOM 727 OD1 ASP A 49 0.039 1.925 7.963 1.00 75.21 O ATOM 728 OD2 ASP A 49 -1.055 2.244 6.084 1.00 74.24 O ATOM 0 H ASP A 49 -2.494 5.684 8.455 1.00 13.32 H new ATOM 0 HA ASP A 49 -1.046 3.381 9.498 1.00 33.22 H new ATOM 0 HB2 ASP A 49 -1.587 4.531 6.947 1.00 51.14 H new ATOM 0 HB3 ASP A 49 0.143 4.674 7.191 1.00 51.14 H new ATOM 733 N VAL A 50 -0.005 6.396 9.869 1.00 63.34 N ATOM 734 CA VAL A 50 1.039 7.236 10.443 1.00 10.21 C ATOM 735 C VAL A 50 0.510 8.631 10.758 1.00 21.11 C ATOM 736 O VAL A 50 -0.210 9.229 9.958 1.00 50.33 O ATOM 737 CB VAL A 50 2.246 7.359 9.494 1.00 3.05 C ATOM 738 CG1 VAL A 50 1.872 8.155 8.253 1.00 34.53 C ATOM 739 CG2 VAL A 50 3.425 7.999 10.213 1.00 55.44 C ATOM 0 H VAL A 50 -0.888 6.878 9.699 1.00 63.34 H new ATOM 0 HA VAL A 50 1.360 6.755 11.367 1.00 10.21 H new ATOM 0 HB VAL A 50 2.541 6.358 9.178 1.00 3.05 H new ATOM 0 HG11 VAL A 50 2.738 8.231 7.595 1.00 34.53 H new ATOM 0 HG12 VAL A 50 1.060 7.651 7.728 1.00 34.53 H new ATOM 0 HG13 VAL A 50 1.550 9.154 8.545 1.00 34.53 H new ATOM 0 HG21 VAL A 50 4.269 8.078 9.528 1.00 55.44 H new ATOM 0 HG22 VAL A 50 3.144 8.994 10.559 1.00 55.44 H new ATOM 0 HG23 VAL A 50 3.708 7.384 11.067 1.00 55.44 H new ATOM 749 N LEU A 51 0.872 9.144 11.929 1.00 41.34 N ATOM 750 CA LEU A 51 0.435 10.470 12.351 1.00 54.55 C ATOM 751 C LEU A 51 1.600 11.272 12.923 1.00 35.41 C ATOM 752 O LEU A 51 2.506 10.713 13.542 1.00 1.15 O ATOM 753 CB LEU A 51 -0.680 10.354 13.392 1.00 41.22 C ATOM 754 CG LEU A 51 -1.154 11.667 14.017 1.00 71.41 C ATOM 755 CD1 LEU A 51 -2.637 11.595 14.347 1.00 1.52 C ATOM 756 CD2 LEU A 51 -0.343 11.987 15.264 1.00 42.12 C ATOM 0 H LEU A 51 1.467 8.662 12.603 1.00 41.34 H new ATOM 0 HA LEU A 51 0.053 10.995 11.475 1.00 54.55 H new ATOM 0 HB2 LEU A 51 -1.536 9.867 12.925 1.00 41.22 H new ATOM 0 HB3 LEU A 51 -0.337 9.697 14.191 1.00 41.22 H new ATOM 0 HG LEU A 51 -1.002 12.468 13.294 1.00 71.41 H new ATOM 0 HD11 LEU A 51 -2.957 12.538 14.791 1.00 1.52 H new ATOM 0 HD12 LEU A 51 -3.204 11.412 13.434 1.00 1.52 H new ATOM 0 HD13 LEU A 51 -2.814 10.783 15.053 1.00 1.52 H new ATOM 0 HD21 LEU A 51 -0.694 12.924 15.696 1.00 42.12 H new ATOM 0 HD22 LEU A 51 -0.463 11.185 15.992 1.00 42.12 H new ATOM 0 HD23 LEU A 51 0.710 12.081 14.999 1.00 42.12 H new ATOM 768 N LEU A 52 1.568 12.583 12.714 1.00 1.02 N ATOM 769 CA LEU A 52 2.620 13.463 13.212 1.00 63.54 C ATOM 770 C LEU A 52 2.219 14.093 14.541 1.00 4.52 C ATOM 771 O LEU A 52 1.783 15.243 14.587 1.00 12.53 O ATOM 772 CB LEU A 52 2.925 14.556 12.186 1.00 2.14 C ATOM 773 CG LEU A 52 3.231 14.078 10.766 1.00 3.55 C ATOM 774 CD1 LEU A 52 1.945 13.891 9.977 1.00 12.43 C ATOM 775 CD2 LEU A 52 4.154 15.061 10.061 1.00 41.25 C ATOM 0 H LEU A 52 0.825 13.061 12.203 1.00 1.02 H new ATOM 0 HA LEU A 52 3.516 12.864 13.372 1.00 63.54 H new ATOM 0 HB2 LEU A 52 2.073 15.234 12.144 1.00 2.14 H new ATOM 0 HB3 LEU A 52 3.776 15.135 12.544 1.00 2.14 H new ATOM 0 HG LEU A 52 3.737 13.115 10.828 1.00 3.55 H new ATOM 0 HD11 LEU A 52 2.183 13.551 8.969 1.00 12.43 H new ATOM 0 HD12 LEU A 52 1.319 13.149 10.472 1.00 12.43 H new ATOM 0 HD13 LEU A 52 1.410 14.839 9.923 1.00 12.43 H new ATOM 0 HD21 LEU A 52 4.362 14.705 9.052 1.00 41.25 H new ATOM 0 HD22 LEU A 52 3.674 16.038 10.010 1.00 41.25 H new ATOM 0 HD23 LEU A 52 5.089 15.144 10.616 1.00 41.25 H new ATOM 787 N SER A 53 2.373 13.334 15.621 1.00 33.20 N ATOM 788 CA SER A 53 2.025 13.818 16.952 1.00 62.11 C ATOM 789 C SER A 53 2.684 15.166 17.229 1.00 63.31 C ATOM 790 O SER A 53 3.863 15.365 16.934 1.00 53.24 O ATOM 791 CB SER A 53 2.450 12.802 18.014 1.00 35.11 C ATOM 792 OG SER A 53 2.287 13.330 19.319 1.00 52.21 O ATOM 0 H SER A 53 2.737 12.381 15.601 1.00 33.20 H new ATOM 0 HA SER A 53 0.943 13.946 16.994 1.00 62.11 H new ATOM 0 HB2 SER A 53 1.858 11.893 17.910 1.00 35.11 H new ATOM 0 HB3 SER A 53 3.492 12.523 17.859 1.00 35.11 H new ATOM 0 HG SER A 53 2.953 12.932 19.918 1.00 52.21 H new ATOM 798 N ASP A 54 1.915 16.087 17.798 1.00 41.21 N ATOM 799 CA ASP A 54 2.423 17.417 18.117 1.00 60.45 C ATOM 800 C ASP A 54 2.421 17.652 19.624 1.00 53.33 C ATOM 801 O ASP A 54 1.373 17.599 20.268 1.00 12.53 O ATOM 802 CB ASP A 54 1.583 18.488 17.419 1.00 70.50 C ATOM 803 CG ASP A 54 2.093 19.890 17.688 1.00 33.34 C ATOM 804 OD1 ASP A 54 3.281 20.030 18.046 1.00 52.13 O ATOM 805 OD2 ASP A 54 1.303 20.847 17.543 1.00 62.42 O ATOM 0 H ASP A 54 0.937 15.938 18.048 1.00 41.21 H new ATOM 0 HA ASP A 54 3.450 17.483 17.759 1.00 60.45 H new ATOM 0 HB2 ASP A 54 1.585 18.304 16.345 1.00 70.50 H new ATOM 0 HB3 ASP A 54 0.549 18.410 17.754 1.00 70.50 H new ATOM 810 N ILE A 55 3.600 17.911 20.179 1.00 52.23 N ATOM 811 CA ILE A 55 3.733 18.155 21.610 1.00 60.24 C ATOM 812 C ILE A 55 4.140 19.598 21.886 1.00 3.10 C ATOM 813 O ILE A 55 5.086 19.855 22.632 1.00 53.04 O ATOM 814 CB ILE A 55 4.768 17.210 22.248 1.00 65.15 C ATOM 815 CG1 ILE A 55 6.032 17.146 21.387 1.00 53.24 C ATOM 816 CG2 ILE A 55 4.176 15.821 22.431 1.00 34.12 C ATOM 817 CD1 ILE A 55 5.990 16.063 20.331 1.00 13.51 C ATOM 0 H ILE A 55 4.477 17.957 19.660 1.00 52.23 H new ATOM 0 HA ILE A 55 2.756 17.964 22.055 1.00 60.24 H new ATOM 0 HB ILE A 55 5.038 17.601 23.229 1.00 65.15 H new ATOM 0 HG12 ILE A 55 6.180 18.110 20.901 1.00 53.24 H new ATOM 0 HG13 ILE A 55 6.894 16.979 22.033 1.00 53.24 H new ATOM 0 HG21 ILE A 55 4.920 15.165 22.883 1.00 34.12 H new ATOM 0 HG22 ILE A 55 3.302 15.880 23.080 1.00 34.12 H new ATOM 0 HG23 ILE A 55 3.881 15.421 21.461 1.00 34.12 H new ATOM 0 HD11 ILE A 55 6.918 16.076 19.759 1.00 13.51 H new ATOM 0 HD12 ILE A 55 5.873 15.091 20.811 1.00 13.51 H new ATOM 0 HD13 ILE A 55 5.148 16.240 19.661 1.00 13.51 H new ATOM 829 N ARG A 56 3.419 20.537 21.281 1.00 24.35 N ATOM 830 CA ARG A 56 3.705 21.955 21.463 1.00 62.22 C ATOM 831 C ARG A 56 2.638 22.815 20.792 1.00 31.40 C ATOM 832 O ARG A 56 2.914 23.519 19.821 1.00 22.15 O ATOM 833 CB ARG A 56 5.083 22.296 20.893 1.00 40.24 C ATOM 834 CG ARG A 56 5.505 23.735 21.141 1.00 65.02 C ATOM 835 CD ARG A 56 6.501 24.212 20.094 1.00 34.25 C ATOM 836 NE ARG A 56 7.042 25.530 20.414 1.00 13.13 N ATOM 837 CZ ARG A 56 7.618 26.325 19.519 1.00 22.35 C ATOM 838 NH1 ARG A 56 7.728 25.937 18.256 1.00 34.34 N ATOM 839 NH2 ARG A 56 8.086 27.511 19.887 1.00 23.55 N ATOM 0 H ARG A 56 2.633 20.341 20.661 1.00 24.35 H new ATOM 0 HA ARG A 56 3.699 22.167 22.532 1.00 62.22 H new ATOM 0 HB2 ARG A 56 5.824 21.628 21.332 1.00 40.24 H new ATOM 0 HB3 ARG A 56 5.080 22.107 19.820 1.00 40.24 H new ATOM 0 HG2 ARG A 56 4.626 24.380 21.130 1.00 65.02 H new ATOM 0 HG3 ARG A 56 5.949 23.819 22.133 1.00 65.02 H new ATOM 0 HD2 ARG A 56 7.317 23.494 20.017 1.00 34.25 H new ATOM 0 HD3 ARG A 56 6.014 24.247 19.120 1.00 34.25 H new ATOM 0 HE ARG A 56 6.974 25.858 21.377 1.00 13.13 H new ATOM 0 HH11 ARG A 56 7.370 25.026 17.969 1.00 34.34 H new ATOM 0 HH12 ARG A 56 8.171 26.550 17.571 1.00 34.34 H new ATOM 0 HH21 ARG A 56 8.004 27.813 20.858 1.00 23.55 H new ATOM 0 HH22 ARG A 56 8.528 28.121 19.199 1.00 23.55 H new ATOM 853 N MET A 57 1.418 22.751 21.316 1.00 23.32 N ATOM 854 CA MET A 57 0.310 23.524 20.768 1.00 30.02 C ATOM 855 C MET A 57 -0.625 23.996 21.878 1.00 63.44 C ATOM 856 O MET A 57 -0.676 23.421 22.965 1.00 23.03 O ATOM 857 CB MET A 57 -0.469 22.689 19.750 1.00 24.42 C ATOM 858 CG MET A 57 -0.683 21.247 20.184 1.00 51.55 C ATOM 859 SD MET A 57 -2.253 20.575 19.606 1.00 15.15 S ATOM 860 CE MET A 57 -1.810 18.860 19.339 1.00 1.45 C ATOM 0 H MET A 57 1.172 22.172 22.119 1.00 23.32 H new ATOM 0 HA MET A 57 0.723 24.400 20.268 1.00 30.02 H new ATOM 0 HB2 MET A 57 -1.439 23.155 19.576 1.00 24.42 H new ATOM 0 HB3 MET A 57 0.065 22.699 18.800 1.00 24.42 H new ATOM 0 HG2 MET A 57 0.133 20.632 19.804 1.00 51.55 H new ATOM 0 HG3 MET A 57 -0.646 21.189 21.272 1.00 51.55 H new ATOM 0 HE1 MET A 57 -2.182 18.535 18.368 1.00 1.45 H new ATOM 0 HE2 MET A 57 -0.725 18.756 19.365 1.00 1.45 H new ATOM 0 HE3 MET A 57 -2.252 18.244 20.122 1.00 1.45 H new ATOM 870 N PRO A 58 -1.382 25.067 21.599 1.00 73.21 N ATOM 871 CA PRO A 58 -2.329 25.639 22.561 1.00 71.31 C ATOM 872 C PRO A 58 -3.530 24.730 22.803 1.00 43.33 C ATOM 873 O PRO A 58 -4.159 24.785 23.858 1.00 14.22 O ATOM 874 CB PRO A 58 -2.771 26.942 21.891 1.00 11.44 C ATOM 875 CG PRO A 58 -2.569 26.707 20.434 1.00 4.53 C ATOM 876 CD PRO A 58 -1.373 25.802 20.323 1.00 74.10 C ATOM 0 HA PRO A 58 -1.877 25.780 23.543 1.00 71.31 H new ATOM 0 HB2 PRO A 58 -3.814 27.168 22.115 1.00 11.44 H new ATOM 0 HB3 PRO A 58 -2.179 27.788 22.241 1.00 11.44 H new ATOM 0 HG2 PRO A 58 -3.450 26.246 19.987 1.00 4.53 H new ATOM 0 HG3 PRO A 58 -2.398 27.646 19.907 1.00 4.53 H new ATOM 0 HD2 PRO A 58 -1.457 25.128 19.470 1.00 74.10 H new ATOM 0 HD3 PRO A 58 -0.451 26.369 20.192 1.00 74.10 H new ATOM 884 N GLY A 59 -3.841 23.894 21.817 1.00 35.01 N ATOM 885 CA GLY A 59 -4.966 22.985 21.943 1.00 1.21 C ATOM 886 C GLY A 59 -4.911 22.169 23.219 1.00 34.21 C ATOM 887 O GLY A 59 -5.543 22.519 24.215 1.00 15.02 O ATOM 0 H GLY A 59 -3.335 23.830 20.934 1.00 35.01 H new ATOM 0 HA2 GLY A 59 -5.895 23.555 21.920 1.00 1.21 H new ATOM 0 HA3 GLY A 59 -4.984 22.312 21.086 1.00 1.21 H new ATOM 891 N MET A 60 -4.155 21.076 23.189 1.00 52.31 N ATOM 892 CA MET A 60 -4.021 20.208 24.352 1.00 34.45 C ATOM 893 C MET A 60 -2.573 19.767 24.539 1.00 42.25 C ATOM 894 O MET A 60 -1.851 20.312 25.374 1.00 40.23 O ATOM 895 CB MET A 60 -4.925 18.981 24.207 1.00 43.43 C ATOM 896 CG MET A 60 -4.680 17.918 25.265 1.00 75.54 C ATOM 897 SD MET A 60 -6.140 16.908 25.585 1.00 50.33 S ATOM 898 CE MET A 60 -6.279 16.015 24.039 1.00 75.24 C ATOM 0 H MET A 60 -3.626 20.771 22.372 1.00 52.31 H new ATOM 0 HA MET A 60 -4.326 20.774 25.232 1.00 34.45 H new ATOM 0 HB2 MET A 60 -5.966 19.299 24.257 1.00 43.43 H new ATOM 0 HB3 MET A 60 -4.773 18.542 23.221 1.00 43.43 H new ATOM 0 HG2 MET A 60 -3.861 17.274 24.945 1.00 75.54 H new ATOM 0 HG3 MET A 60 -4.365 18.398 26.191 1.00 75.54 H new ATOM 0 HE1 MET A 60 -7.214 15.455 24.025 1.00 75.24 H new ATOM 0 HE2 MET A 60 -6.267 16.721 23.209 1.00 75.24 H new ATOM 0 HE3 MET A 60 -5.441 15.325 23.941 1.00 75.24 H new ATOM 908 N ASP A 61 -2.155 18.779 23.756 1.00 63.40 N ATOM 909 CA ASP A 61 -0.792 18.266 23.834 1.00 22.33 C ATOM 910 C ASP A 61 -0.596 17.095 22.876 1.00 42.11 C ATOM 911 O ASP A 61 -1.496 16.746 22.114 1.00 52.23 O ATOM 912 CB ASP A 61 -0.470 17.830 25.264 1.00 25.44 C ATOM 913 CG ASP A 61 -1.596 17.036 25.895 1.00 34.43 C ATOM 914 OD1 ASP A 61 -1.987 16.000 25.318 1.00 32.31 O ATOM 915 OD2 ASP A 61 -2.088 17.451 26.966 1.00 72.41 O ATOM 0 H ASP A 61 -2.740 18.317 23.060 1.00 63.40 H new ATOM 0 HA ASP A 61 -0.112 19.067 23.544 1.00 22.33 H new ATOM 0 HB2 ASP A 61 0.438 17.227 25.261 1.00 25.44 H new ATOM 0 HB3 ASP A 61 -0.266 18.711 25.872 1.00 25.44 H new ATOM 920 N GLY A 62 0.589 16.493 22.920 1.00 72.42 N ATOM 921 CA GLY A 62 0.882 15.369 22.050 1.00 70.41 C ATOM 922 C GLY A 62 1.115 14.084 22.821 1.00 44.44 C ATOM 923 O GLY A 62 1.034 12.991 22.259 1.00 35.04 O ATOM 0 H GLY A 62 1.351 16.764 23.542 1.00 72.42 H new ATOM 0 HA2 GLY A 62 0.055 15.227 21.354 1.00 70.41 H new ATOM 0 HA3 GLY A 62 1.765 15.596 21.453 1.00 70.41 H new ATOM 927 N LEU A 63 1.408 14.215 24.110 1.00 44.03 N ATOM 928 CA LEU A 63 1.656 13.055 24.959 1.00 4.33 C ATOM 929 C LEU A 63 0.373 12.262 25.186 1.00 65.01 C ATOM 930 O LEU A 63 0.384 11.031 25.181 1.00 52.55 O ATOM 931 CB LEU A 63 2.240 13.498 26.302 1.00 30.33 C ATOM 932 CG LEU A 63 3.706 13.932 26.287 1.00 51.44 C ATOM 933 CD1 LEU A 63 4.122 14.455 27.653 1.00 42.23 C ATOM 934 CD2 LEU A 63 4.600 12.777 25.860 1.00 1.34 C ATOM 0 H LEU A 63 1.480 15.112 24.590 1.00 44.03 H new ATOM 0 HA LEU A 63 2.374 12.411 24.452 1.00 4.33 H new ATOM 0 HB2 LEU A 63 1.641 14.326 26.680 1.00 30.33 H new ATOM 0 HB3 LEU A 63 2.132 12.677 27.011 1.00 30.33 H new ATOM 0 HG LEU A 63 3.819 14.739 25.563 1.00 51.44 H new ATOM 0 HD11 LEU A 63 5.168 14.759 27.623 1.00 42.23 H new ATOM 0 HD12 LEU A 63 3.503 15.312 27.919 1.00 42.23 H new ATOM 0 HD13 LEU A 63 3.994 13.670 28.398 1.00 42.23 H new ATOM 0 HD21 LEU A 63 5.640 13.104 25.855 1.00 1.34 H new ATOM 0 HD22 LEU A 63 4.484 11.949 26.559 1.00 1.34 H new ATOM 0 HD23 LEU A 63 4.318 12.449 24.859 1.00 1.34 H new ATOM 946 N ALA A 64 -0.730 12.975 25.383 1.00 53.53 N ATOM 947 CA ALA A 64 -2.022 12.338 25.607 1.00 50.33 C ATOM 948 C ALA A 64 -2.481 11.577 24.367 1.00 0.35 C ATOM 949 O ALA A 64 -3.141 10.543 24.471 1.00 72.52 O ATOM 950 CB ALA A 64 -3.060 13.376 26.006 1.00 55.33 C ATOM 0 H ALA A 64 -0.755 13.995 25.392 1.00 53.53 H new ATOM 0 HA ALA A 64 -1.910 11.621 26.420 1.00 50.33 H new ATOM 0 HB1 ALA A 64 -4.020 12.886 26.170 1.00 55.33 H new ATOM 0 HB2 ALA A 64 -2.744 13.872 26.924 1.00 55.33 H new ATOM 0 HB3 ALA A 64 -3.161 14.114 25.210 1.00 55.33 H new ATOM 956 N LEU A 65 -2.128 12.096 23.196 1.00 34.34 N ATOM 957 CA LEU A 65 -2.505 11.465 21.936 1.00 41.00 C ATOM 958 C LEU A 65 -1.492 10.396 21.538 1.00 11.11 C ATOM 959 O LEU A 65 -1.831 9.428 20.856 1.00 44.24 O ATOM 960 CB LEU A 65 -2.615 12.516 20.830 1.00 13.00 C ATOM 961 CG LEU A 65 -3.381 12.093 19.576 1.00 65.43 C ATOM 962 CD1 LEU A 65 -4.878 12.083 19.842 1.00 42.44 C ATOM 963 CD2 LEU A 65 -3.049 13.016 18.412 1.00 73.50 C ATOM 0 H LEU A 65 -1.582 12.951 23.093 1.00 34.34 H new ATOM 0 HA LEU A 65 -3.475 10.987 22.073 1.00 41.00 H new ATOM 0 HB2 LEU A 65 -3.097 13.401 21.244 1.00 13.00 H new ATOM 0 HB3 LEU A 65 -1.608 12.810 20.534 1.00 13.00 H new ATOM 0 HG LEU A 65 -3.075 11.081 19.310 1.00 65.43 H new ATOM 0 HD11 LEU A 65 -5.406 11.780 18.938 1.00 42.44 H new ATOM 0 HD12 LEU A 65 -5.100 11.380 20.645 1.00 42.44 H new ATOM 0 HD13 LEU A 65 -5.202 13.082 20.134 1.00 42.44 H new ATOM 0 HD21 LEU A 65 -3.603 12.700 17.528 1.00 73.50 H new ATOM 0 HD22 LEU A 65 -3.326 14.039 18.668 1.00 73.50 H new ATOM 0 HD23 LEU A 65 -1.980 12.971 18.205 1.00 73.50 H new ATOM 975 N LEU A 66 -0.249 10.576 21.970 1.00 10.34 N ATOM 976 CA LEU A 66 0.814 9.626 21.662 1.00 72.15 C ATOM 977 C LEU A 66 0.772 8.434 22.613 1.00 43.41 C ATOM 978 O LEU A 66 1.226 7.341 22.276 1.00 71.42 O ATOM 979 CB LEU A 66 2.178 10.312 21.745 1.00 44.15 C ATOM 980 CG LEU A 66 3.395 9.416 21.510 1.00 4.52 C ATOM 981 CD1 LEU A 66 3.544 9.094 20.031 1.00 33.45 C ATOM 982 CD2 LEU A 66 4.657 10.081 22.042 1.00 71.10 C ATOM 0 H LEU A 66 0.048 11.372 22.535 1.00 10.34 H new ATOM 0 HA LEU A 66 0.659 9.262 20.646 1.00 72.15 H new ATOM 0 HB2 LEU A 66 2.201 11.121 21.015 1.00 44.15 H new ATOM 0 HB3 LEU A 66 2.273 10.769 22.730 1.00 44.15 H new ATOM 0 HG LEU A 66 3.244 8.482 22.051 1.00 4.52 H new ATOM 0 HD11 LEU A 66 4.415 8.456 19.884 1.00 33.45 H new ATOM 0 HD12 LEU A 66 2.651 8.577 19.680 1.00 33.45 H new ATOM 0 HD13 LEU A 66 3.672 10.019 19.468 1.00 33.45 H new ATOM 0 HD21 LEU A 66 5.513 9.430 21.866 1.00 71.10 H new ATOM 0 HD22 LEU A 66 4.812 11.030 21.529 1.00 71.10 H new ATOM 0 HD23 LEU A 66 4.551 10.260 23.112 1.00 71.10 H new ATOM 994 N LYS A 67 0.223 8.653 23.803 1.00 63.01 N ATOM 995 CA LYS A 67 0.118 7.597 24.803 1.00 3.32 C ATOM 996 C LYS A 67 -1.060 6.677 24.501 1.00 11.04 C ATOM 997 O LYS A 67 -1.122 5.552 24.995 1.00 23.52 O ATOM 998 CB LYS A 67 -0.039 8.203 26.200 1.00 42.34 C ATOM 999 CG LYS A 67 0.075 7.185 27.321 1.00 52.11 C ATOM 1000 CD LYS A 67 1.280 7.461 28.204 1.00 32.35 C ATOM 1001 CE LYS A 67 0.936 8.421 29.332 1.00 12.35 C ATOM 1002 NZ LYS A 67 1.839 9.605 29.347 1.00 12.44 N ATOM 0 H LYS A 67 -0.156 9.553 24.099 1.00 63.01 H new ATOM 0 HA LYS A 67 1.034 7.007 24.770 1.00 3.32 H new ATOM 0 HB2 LYS A 67 0.720 8.972 26.341 1.00 42.34 H new ATOM 0 HB3 LYS A 67 -1.009 8.696 26.266 1.00 42.34 H new ATOM 0 HG2 LYS A 67 -0.832 7.205 27.925 1.00 52.11 H new ATOM 0 HG3 LYS A 67 0.155 6.184 26.898 1.00 52.11 H new ATOM 0 HD2 LYS A 67 1.648 6.524 28.622 1.00 32.35 H new ATOM 0 HD3 LYS A 67 2.086 7.880 27.601 1.00 32.35 H new ATOM 0 HE2 LYS A 67 -0.097 8.753 29.224 1.00 12.35 H new ATOM 0 HE3 LYS A 67 1.005 7.899 30.287 1.00 12.35 H new ATOM 0 HZ1 LYS A 67 1.572 10.235 30.130 1.00 12.44 H new ATOM 0 HZ2 LYS A 67 2.822 9.290 29.475 1.00 12.44 H new ATOM 0 HZ3 LYS A 67 1.754 10.117 28.446 1.00 12.44 H new ATOM 1016 N GLN A 68 -1.991 7.163 23.687 1.00 13.11 N ATOM 1017 CA GLN A 68 -3.167 6.383 23.320 1.00 60.23 C ATOM 1018 C GLN A 68 -2.869 5.478 22.128 1.00 13.23 C ATOM 1019 O GLN A 68 -3.349 4.346 22.061 1.00 11.23 O ATOM 1020 CB GLN A 68 -4.338 7.310 22.991 1.00 34.00 C ATOM 1021 CG GLN A 68 -5.390 7.374 24.087 1.00 23.11 C ATOM 1022 CD GLN A 68 -6.766 7.724 23.556 1.00 21.31 C ATOM 1023 OE1 GLN A 68 -7.419 8.643 24.050 1.00 52.30 O ATOM 1024 NE2 GLN A 68 -7.214 6.990 22.544 1.00 12.30 N ATOM 0 H GLN A 68 -1.954 8.093 23.269 1.00 13.11 H new ATOM 0 HA GLN A 68 -3.437 5.757 24.171 1.00 60.23 H new ATOM 0 HB2 GLN A 68 -3.955 8.314 22.807 1.00 34.00 H new ATOM 0 HB3 GLN A 68 -4.808 6.974 22.067 1.00 34.00 H new ATOM 0 HG2 GLN A 68 -5.436 6.412 24.598 1.00 23.11 H new ATOM 0 HG3 GLN A 68 -5.092 8.115 24.829 1.00 23.11 H new ATOM 0 HE21 GLN A 68 -6.638 6.238 22.166 1.00 12.30 H new ATOM 0 HE22 GLN A 68 -8.134 7.179 22.145 1.00 12.30 H new ATOM 1033 N ILE A 69 -2.076 5.985 21.191 1.00 41.03 N ATOM 1034 CA ILE A 69 -1.714 5.222 20.003 1.00 53.14 C ATOM 1035 C ILE A 69 -0.847 4.021 20.363 1.00 33.35 C ATOM 1036 O ILE A 69 -0.923 2.971 19.724 1.00 51.41 O ATOM 1037 CB ILE A 69 -0.962 6.095 18.980 1.00 35.13 C ATOM 1038 CG1 ILE A 69 0.252 6.756 19.636 1.00 33.43 C ATOM 1039 CG2 ILE A 69 -1.893 7.147 18.396 1.00 74.21 C ATOM 1040 CD1 ILE A 69 1.119 7.525 18.665 1.00 43.00 C ATOM 0 H ILE A 69 -1.672 6.921 21.231 1.00 41.03 H new ATOM 0 HA ILE A 69 -2.646 4.874 19.557 1.00 53.14 H new ATOM 0 HB ILE A 69 -0.611 5.457 18.169 1.00 35.13 H new ATOM 0 HG12 ILE A 69 -0.091 7.433 20.418 1.00 33.43 H new ATOM 0 HG13 ILE A 69 0.856 5.989 20.121 1.00 33.43 H new ATOM 0 HG21 ILE A 69 -1.347 7.756 17.675 1.00 74.21 H new ATOM 0 HG22 ILE A 69 -2.729 6.657 17.898 1.00 74.21 H new ATOM 0 HG23 ILE A 69 -2.270 7.783 19.196 1.00 74.21 H new ATOM 0 HD11 ILE A 69 1.960 7.967 19.199 1.00 43.00 H new ATOM 0 HD12 ILE A 69 1.492 6.849 17.896 1.00 43.00 H new ATOM 0 HD13 ILE A 69 0.530 8.315 18.199 1.00 43.00 H new ATOM 1052 N LYS A 70 -0.024 4.181 21.394 1.00 30.51 N ATOM 1053 CA LYS A 70 0.856 3.109 21.844 1.00 23.21 C ATOM 1054 C LYS A 70 0.130 2.177 22.809 1.00 72.24 C ATOM 1055 O LYS A 70 0.472 1.000 22.924 1.00 12.30 O ATOM 1056 CB LYS A 70 2.099 3.692 22.520 1.00 21.14 C ATOM 1057 CG LYS A 70 1.801 4.412 23.824 1.00 31.54 C ATOM 1058 CD LYS A 70 3.065 4.641 24.636 1.00 35.35 C ATOM 1059 CE LYS A 70 2.797 4.520 26.129 1.00 44.10 C ATOM 1060 NZ LYS A 70 2.448 3.126 26.519 1.00 1.01 N ATOM 0 H LYS A 70 0.052 5.043 21.934 1.00 30.51 H new ATOM 0 HA LYS A 70 1.161 2.533 20.970 1.00 23.21 H new ATOM 0 HB2 LYS A 70 2.809 2.887 22.713 1.00 21.14 H new ATOM 0 HB3 LYS A 70 2.584 4.387 21.834 1.00 21.14 H new ATOM 0 HG2 LYS A 70 1.325 5.370 23.612 1.00 31.54 H new ATOM 0 HG3 LYS A 70 1.092 3.827 24.410 1.00 31.54 H new ATOM 0 HD2 LYS A 70 3.824 3.917 24.342 1.00 35.35 H new ATOM 0 HD3 LYS A 70 3.466 5.630 24.416 1.00 35.35 H new ATOM 0 HE2 LYS A 70 3.678 4.842 26.683 1.00 44.10 H new ATOM 0 HE3 LYS A 70 1.983 5.189 26.407 1.00 44.10 H new ATOM 0 HZ1 LYS A 70 1.709 3.145 27.250 1.00 1.01 H new ATOM 0 HZ2 LYS A 70 2.098 2.610 25.687 1.00 1.01 H new ATOM 0 HZ3 LYS A 70 3.293 2.648 26.893 1.00 1.01 H new ATOM 1074 N GLN A 71 -0.874 2.711 23.497 1.00 20.41 N ATOM 1075 CA GLN A 71 -1.649 1.925 24.451 1.00 45.14 C ATOM 1076 C GLN A 71 -2.829 1.245 23.764 1.00 2.34 C ATOM 1077 O GLN A 71 -3.414 0.305 24.302 1.00 71.03 O ATOM 1078 CB GLN A 71 -2.149 2.815 25.589 1.00 11.34 C ATOM 1079 CG GLN A 71 -1.078 3.152 26.614 1.00 31.45 C ATOM 1080 CD GLN A 71 -1.210 2.336 27.885 1.00 32.15 C ATOM 1081 OE1 GLN A 71 -0.324 1.553 28.229 1.00 11.14 O ATOM 1082 NE2 GLN A 71 -2.320 2.515 28.592 1.00 55.15 N ATOM 0 H GLN A 71 -1.170 3.683 23.412 1.00 20.41 H new ATOM 0 HA GLN A 71 -0.998 1.153 24.862 1.00 45.14 H new ATOM 0 HB2 GLN A 71 -2.542 3.741 25.169 1.00 11.34 H new ATOM 0 HB3 GLN A 71 -2.977 2.316 26.092 1.00 11.34 H new ATOM 0 HG2 GLN A 71 -0.095 2.980 26.177 1.00 31.45 H new ATOM 0 HG3 GLN A 71 -1.136 4.212 26.860 1.00 31.45 H new ATOM 0 HE21 GLN A 71 -3.029 3.174 28.270 1.00 55.15 H new ATOM 0 HE22 GLN A 71 -2.464 1.993 29.457 1.00 55.15 H new ATOM 1091 N ARG A 72 -3.173 1.728 22.575 1.00 71.42 N ATOM 1092 CA ARG A 72 -4.285 1.167 21.816 1.00 42.31 C ATOM 1093 C ARG A 72 -3.777 0.323 20.651 1.00 62.02 C ATOM 1094 O ARG A 72 -4.309 -0.752 20.371 1.00 4.11 O ATOM 1095 CB ARG A 72 -5.188 2.286 21.293 1.00 34.44 C ATOM 1096 CG ARG A 72 -6.536 1.795 20.791 1.00 72.23 C ATOM 1097 CD ARG A 72 -7.643 2.082 21.793 1.00 21.44 C ATOM 1098 NE ARG A 72 -8.726 1.106 21.707 1.00 72.10 N ATOM 1099 CZ ARG A 72 -9.608 1.073 20.714 1.00 14.34 C ATOM 1100 NH1 ARG A 72 -9.535 1.957 19.729 1.00 55.21 N ATOM 1101 NH2 ARG A 72 -10.566 0.155 20.706 1.00 22.40 N ATOM 0 H ARG A 72 -2.699 2.506 22.116 1.00 71.42 H new ATOM 0 HA ARG A 72 -4.861 0.525 22.483 1.00 42.31 H new ATOM 0 HB2 ARG A 72 -5.349 3.014 22.089 1.00 34.44 H new ATOM 0 HB3 ARG A 72 -4.676 2.807 20.484 1.00 34.44 H new ATOM 0 HG2 ARG A 72 -6.769 2.277 19.842 1.00 72.23 H new ATOM 0 HG3 ARG A 72 -6.486 0.723 20.600 1.00 72.23 H new ATOM 0 HD2 ARG A 72 -7.229 2.077 22.801 1.00 21.44 H new ATOM 0 HD3 ARG A 72 -8.041 3.081 21.617 1.00 21.44 H new ATOM 0 HE ARG A 72 -8.810 0.412 22.450 1.00 72.10 H new ATOM 0 HH11 ARG A 72 -8.800 2.665 19.732 1.00 55.21 H new ATOM 0 HH12 ARG A 72 -10.213 1.930 18.968 1.00 55.21 H new ATOM 0 HH21 ARG A 72 -10.626 -0.526 21.463 1.00 22.40 H new ATOM 0 HH22 ARG A 72 -11.243 0.131 19.943 1.00 22.40 H new ATOM 1115 N HIS A 73 -2.745 0.817 19.974 1.00 1.22 N ATOM 1116 CA HIS A 73 -2.165 0.108 18.839 1.00 2.30 C ATOM 1117 C HIS A 73 -0.712 0.522 18.625 1.00 60.01 C ATOM 1118 O HIS A 73 -0.379 1.245 17.686 1.00 50.03 O ATOM 1119 CB HIS A 73 -2.977 0.380 17.572 1.00 23.12 C ATOM 1120 CG HIS A 73 -3.419 1.805 17.438 1.00 31.44 C ATOM 1121 ND1 HIS A 73 -2.703 2.752 16.738 1.00 53.23 N ATOM 1122 CD2 HIS A 73 -4.513 2.441 17.919 1.00 22.21 C ATOM 1123 CE1 HIS A 73 -3.337 3.910 16.795 1.00 43.23 C ATOM 1124 NE2 HIS A 73 -4.438 3.748 17.505 1.00 11.14 N ATOM 0 H HIS A 73 -2.293 1.705 20.192 1.00 1.22 H new ATOM 0 HA HIS A 73 -2.192 -0.960 19.057 1.00 2.30 H new ATOM 0 HB2 HIS A 73 -2.378 0.111 16.702 1.00 23.12 H new ATOM 0 HB3 HIS A 73 -3.855 -0.266 17.567 1.00 23.12 H new ATOM 0 HD2 HIS A 73 -5.298 2.002 18.517 1.00 22.21 H new ATOM 0 HE1 HIS A 73 -3.010 4.832 16.338 1.00 43.23 H new ATOM 0 HE2 HIS A 73 -5.122 4.476 17.712 1.00 11.14 H new ATOM 1132 N PRO A 74 0.175 0.054 19.516 1.00 14.32 N ATOM 1133 CA PRO A 74 1.606 0.363 19.446 1.00 51.12 C ATOM 1134 C PRO A 74 2.288 -0.317 18.263 1.00 1.45 C ATOM 1135 O PRO A 74 3.466 -0.083 17.997 1.00 44.44 O ATOM 1136 CB PRO A 74 2.152 -0.185 20.766 1.00 25.42 C ATOM 1137 CG PRO A 74 1.196 -1.260 21.155 1.00 42.50 C ATOM 1138 CD PRO A 74 -0.152 -0.813 20.661 1.00 41.41 C ATOM 0 HA PRO A 74 1.787 1.428 19.304 1.00 51.12 H new ATOM 0 HB2 PRO A 74 3.161 -0.578 20.644 1.00 25.42 H new ATOM 0 HB3 PRO A 74 2.203 0.594 21.527 1.00 25.42 H new ATOM 0 HG2 PRO A 74 1.479 -2.214 20.709 1.00 42.50 H new ATOM 0 HG3 PRO A 74 1.188 -1.403 22.236 1.00 42.50 H new ATOM 0 HD2 PRO A 74 -0.771 -1.659 20.361 1.00 41.41 H new ATOM 0 HD3 PRO A 74 -0.703 -0.272 21.430 1.00 41.41 H new ATOM 1146 N MET A 75 1.540 -1.158 17.558 1.00 34.43 N ATOM 1147 CA MET A 75 2.073 -1.871 16.403 1.00 41.31 C ATOM 1148 C MET A 75 2.101 -0.968 15.173 1.00 34.42 C ATOM 1149 O MET A 75 2.824 -1.233 14.212 1.00 25.34 O ATOM 1150 CB MET A 75 1.236 -3.119 16.115 1.00 4.24 C ATOM 1151 CG MET A 75 1.820 -4.004 15.026 1.00 22.13 C ATOM 1152 SD MET A 75 1.503 -5.756 15.311 1.00 23.12 S ATOM 1153 CE MET A 75 2.469 -6.493 13.995 1.00 73.21 C ATOM 0 H MET A 75 0.563 -1.363 17.766 1.00 34.43 H new ATOM 0 HA MET A 75 3.094 -2.174 16.634 1.00 41.31 H new ATOM 0 HB2 MET A 75 1.139 -3.701 17.032 1.00 4.24 H new ATOM 0 HB3 MET A 75 0.231 -2.813 15.824 1.00 4.24 H new ATOM 0 HG2 MET A 75 1.399 -3.714 14.063 1.00 22.13 H new ATOM 0 HG3 MET A 75 2.896 -3.838 14.966 1.00 22.13 H new ATOM 0 HE1 MET A 75 2.375 -7.578 14.038 1.00 73.21 H new ATOM 0 HE2 MET A 75 2.105 -6.135 13.032 1.00 73.21 H new ATOM 0 HE3 MET A 75 3.516 -6.215 14.113 1.00 73.21 H new ATOM 1163 N LEU A 76 1.308 0.097 15.209 1.00 4.32 N ATOM 1164 CA LEU A 76 1.242 1.039 14.097 1.00 11.01 C ATOM 1165 C LEU A 76 2.373 2.059 14.179 1.00 12.31 C ATOM 1166 O LEU A 76 2.608 2.680 15.216 1.00 12.10 O ATOM 1167 CB LEU A 76 -0.109 1.757 14.091 1.00 2.13 C ATOM 1168 CG LEU A 76 -0.075 3.248 13.753 1.00 61.13 C ATOM 1169 CD1 LEU A 76 0.215 3.453 12.274 1.00 71.01 C ATOM 1170 CD2 LEU A 76 -1.389 3.912 14.138 1.00 43.23 C ATOM 0 H LEU A 76 0.702 0.330 15.996 1.00 4.32 H new ATOM 0 HA LEU A 76 1.352 0.477 13.170 1.00 11.01 H new ATOM 0 HB2 LEU A 76 -0.760 1.257 13.374 1.00 2.13 H new ATOM 0 HB3 LEU A 76 -0.566 1.638 15.074 1.00 2.13 H new ATOM 0 HG LEU A 76 0.726 3.713 14.327 1.00 61.13 H new ATOM 0 HD11 LEU A 76 0.235 4.520 12.052 1.00 71.01 H new ATOM 0 HD12 LEU A 76 1.181 3.013 12.028 1.00 71.01 H new ATOM 0 HD13 LEU A 76 -0.564 2.974 11.681 1.00 71.01 H new ATOM 0 HD21 LEU A 76 -1.347 4.973 13.890 1.00 43.23 H new ATOM 0 HD22 LEU A 76 -2.207 3.444 13.591 1.00 43.23 H new ATOM 0 HD23 LEU A 76 -1.555 3.796 15.209 1.00 43.23 H new ATOM 1182 N PRO A 77 3.090 2.240 13.060 1.00 73.31 N ATOM 1183 CA PRO A 77 4.206 3.186 12.979 1.00 41.21 C ATOM 1184 C PRO A 77 3.741 4.637 13.032 1.00 53.44 C ATOM 1185 O PRO A 77 2.947 5.076 12.199 1.00 70.00 O ATOM 1186 CB PRO A 77 4.836 2.876 11.619 1.00 63.21 C ATOM 1187 CG PRO A 77 3.730 2.287 10.814 1.00 34.11 C ATOM 1188 CD PRO A 77 2.865 1.534 11.787 1.00 23.22 C ATOM 0 HA PRO A 77 4.894 3.077 13.818 1.00 41.21 H new ATOM 0 HB2 PRO A 77 5.230 3.778 11.150 1.00 63.21 H new ATOM 0 HB3 PRO A 77 5.668 2.179 11.718 1.00 63.21 H new ATOM 0 HG2 PRO A 77 3.160 3.065 10.306 1.00 34.11 H new ATOM 0 HG3 PRO A 77 4.120 1.622 10.043 1.00 34.11 H new ATOM 0 HD2 PRO A 77 1.815 1.558 11.494 1.00 23.22 H new ATOM 0 HD3 PRO A 77 3.153 0.485 11.853 1.00 23.22 H new ATOM 1196 N VAL A 78 4.240 5.379 14.015 1.00 31.14 N ATOM 1197 CA VAL A 78 3.876 6.782 14.176 1.00 63.34 C ATOM 1198 C VAL A 78 5.110 7.677 14.137 1.00 32.13 C ATOM 1199 O VAL A 78 6.196 7.272 14.552 1.00 0.05 O ATOM 1200 CB VAL A 78 3.124 7.019 15.499 1.00 41.04 C ATOM 1201 CG1 VAL A 78 2.635 8.457 15.584 1.00 34.42 C ATOM 1202 CG2 VAL A 78 1.965 6.043 15.634 1.00 11.42 C ATOM 0 H VAL A 78 4.898 5.032 14.713 1.00 31.14 H new ATOM 0 HA VAL A 78 3.219 7.037 13.344 1.00 63.34 H new ATOM 0 HB VAL A 78 3.813 6.846 16.326 1.00 41.04 H new ATOM 0 HG11 VAL A 78 2.106 8.606 16.525 1.00 34.42 H new ATOM 0 HG12 VAL A 78 3.487 9.135 15.535 1.00 34.42 H new ATOM 0 HG13 VAL A 78 1.961 8.662 14.752 1.00 34.42 H new ATOM 0 HG21 VAL A 78 1.444 6.224 16.574 1.00 11.42 H new ATOM 0 HG22 VAL A 78 1.273 6.183 14.803 1.00 11.42 H new ATOM 0 HG23 VAL A 78 2.346 5.022 15.621 1.00 11.42 H new ATOM 1212 N ILE A 79 4.934 8.895 13.637 1.00 3.32 N ATOM 1213 CA ILE A 79 6.033 9.849 13.546 1.00 21.23 C ATOM 1214 C ILE A 79 5.827 11.018 14.503 1.00 30.14 C ATOM 1215 O ILE A 79 4.699 11.459 14.726 1.00 1.04 O ATOM 1216 CB ILE A 79 6.189 10.394 12.114 1.00 32.52 C ATOM 1217 CG1 ILE A 79 6.414 9.244 11.130 1.00 43.23 C ATOM 1218 CG2 ILE A 79 7.338 11.388 12.048 1.00 42.10 C ATOM 1219 CD1 ILE A 79 6.221 9.641 9.683 1.00 45.31 C ATOM 0 H ILE A 79 4.041 9.245 13.289 1.00 3.32 H new ATOM 0 HA ILE A 79 6.940 9.312 13.822 1.00 21.23 H new ATOM 0 HB ILE A 79 5.271 10.912 11.835 1.00 32.52 H new ATOM 0 HG12 ILE A 79 7.425 8.857 11.261 1.00 43.23 H new ATOM 0 HG13 ILE A 79 5.728 8.432 11.370 1.00 43.23 H new ATOM 0 HG21 ILE A 79 7.436 11.764 11.030 1.00 42.10 H new ATOM 0 HG22 ILE A 79 7.139 12.219 12.724 1.00 42.10 H new ATOM 0 HG23 ILE A 79 8.264 10.894 12.343 1.00 42.10 H new ATOM 0 HD11 ILE A 79 6.396 8.777 9.042 1.00 45.31 H new ATOM 0 HD12 ILE A 79 5.202 10.000 9.537 1.00 45.31 H new ATOM 0 HD13 ILE A 79 6.925 10.432 9.426 1.00 45.31 H new ATOM 1231 N ILE A 80 6.923 11.516 15.065 1.00 44.34 N ATOM 1232 CA ILE A 80 6.863 12.636 15.995 1.00 11.43 C ATOM 1233 C ILE A 80 7.233 13.945 15.305 1.00 12.03 C ATOM 1234 O ILE A 80 8.255 14.033 14.626 1.00 71.44 O ATOM 1235 CB ILE A 80 7.801 12.420 17.198 1.00 55.41 C ATOM 1236 CG1 ILE A 80 7.661 10.993 17.731 1.00 0.12 C ATOM 1237 CG2 ILE A 80 7.499 13.433 18.293 1.00 62.31 C ATOM 1238 CD1 ILE A 80 6.246 10.630 18.124 1.00 0.51 C ATOM 0 H ILE A 80 7.864 11.161 14.892 1.00 44.34 H new ATOM 0 HA ILE A 80 5.835 12.694 16.352 1.00 11.43 H new ATOM 0 HB ILE A 80 8.830 12.565 16.869 1.00 55.41 H new ATOM 0 HG12 ILE A 80 8.009 10.294 16.970 1.00 0.12 H new ATOM 0 HG13 ILE A 80 8.312 10.872 18.597 1.00 0.12 H new ATOM 0 HG21 ILE A 80 8.170 13.268 19.136 1.00 62.31 H new ATOM 0 HG22 ILE A 80 7.644 14.442 17.906 1.00 62.31 H new ATOM 0 HG23 ILE A 80 6.466 13.316 18.622 1.00 62.31 H new ATOM 0 HD11 ILE A 80 6.222 9.604 18.493 1.00 0.51 H new ATOM 0 HD12 ILE A 80 5.901 11.305 18.907 1.00 0.51 H new ATOM 0 HD13 ILE A 80 5.593 10.718 17.256 1.00 0.51 H new ATOM 1250 N MET A 81 6.395 14.961 15.486 1.00 31.45 N ATOM 1251 CA MET A 81 6.636 16.266 14.884 1.00 53.45 C ATOM 1252 C MET A 81 6.417 17.383 15.899 1.00 32.04 C ATOM 1253 O MET A 81 5.340 17.501 16.486 1.00 24.12 O ATOM 1254 CB MET A 81 5.718 16.472 13.677 1.00 60.32 C ATOM 1255 CG MET A 81 5.674 17.909 13.184 1.00 1.24 C ATOM 1256 SD MET A 81 4.097 18.713 13.527 1.00 31.03 S ATOM 1257 CE MET A 81 2.992 17.738 12.509 1.00 52.52 C ATOM 0 H MET A 81 5.543 14.905 16.045 1.00 31.45 H new ATOM 0 HA MET A 81 7.674 16.299 14.553 1.00 53.45 H new ATOM 0 HB2 MET A 81 6.051 15.828 12.863 1.00 60.32 H new ATOM 0 HB3 MET A 81 4.709 16.156 13.941 1.00 60.32 H new ATOM 0 HG2 MET A 81 6.477 18.476 13.656 1.00 1.24 H new ATOM 0 HG3 MET A 81 5.860 17.926 12.110 1.00 1.24 H new ATOM 0 HE1 MET A 81 2.329 18.401 11.953 1.00 52.52 H new ATOM 0 HE2 MET A 81 3.575 17.138 11.810 1.00 52.52 H new ATOM 0 HE3 MET A 81 2.398 17.080 13.144 1.00 52.52 H new ATOM 1267 N THR A 82 7.444 18.201 16.104 1.00 44.45 N ATOM 1268 CA THR A 82 7.365 19.307 17.049 1.00 14.34 C ATOM 1269 C THR A 82 8.641 20.141 17.029 1.00 15.14 C ATOM 1270 O THR A 82 9.497 19.961 16.164 1.00 1.43 O ATOM 1271 CB THR A 82 7.117 18.803 18.484 1.00 52.03 C ATOM 1272 OG1 THR A 82 6.683 19.885 19.315 1.00 21.03 O ATOM 1273 CG2 THR A 82 8.379 18.184 19.065 1.00 11.12 C ATOM 0 H THR A 82 8.342 18.118 15.627 1.00 44.45 H new ATOM 0 HA THR A 82 6.524 19.928 16.739 1.00 14.34 H new ATOM 0 HB THR A 82 6.340 18.039 18.449 1.00 52.03 H new ATOM 0 HG1 THR A 82 7.219 19.903 20.135 1.00 21.03 H new ATOM 0 HG21 THR A 82 8.180 17.835 20.078 1.00 11.12 H new ATOM 0 HG22 THR A 82 8.690 17.342 18.446 1.00 11.12 H new ATOM 0 HG23 THR A 82 9.173 18.930 19.087 1.00 11.12 H new ATOM 1281 N ALA A 83 8.761 21.053 17.989 1.00 40.14 N ATOM 1282 CA ALA A 83 9.934 21.913 18.082 1.00 24.22 C ATOM 1283 C ALA A 83 10.746 21.599 19.334 1.00 2.23 C ATOM 1284 O ALA A 83 10.518 20.586 19.997 1.00 43.33 O ATOM 1285 CB ALA A 83 9.518 23.376 18.073 1.00 4.34 C ATOM 0 H ALA A 83 8.060 21.215 18.713 1.00 40.14 H new ATOM 0 HA ALA A 83 10.565 21.721 17.214 1.00 24.22 H new ATOM 0 HB1 ALA A 83 10.404 24.007 18.143 1.00 4.34 H new ATOM 0 HB2 ALA A 83 8.987 23.598 17.147 1.00 4.34 H new ATOM 0 HB3 ALA A 83 8.864 23.574 18.922 1.00 4.34 H new ATOM 1291 N HIS A 84 11.695 22.474 19.653 1.00 21.23 N ATOM 1292 CA HIS A 84 12.541 22.289 20.827 1.00 44.41 C ATOM 1293 C HIS A 84 11.698 22.011 22.067 1.00 75.50 C ATOM 1294 O HIS A 84 12.154 21.359 23.006 1.00 34.24 O ATOM 1295 CB HIS A 84 13.410 23.527 21.055 1.00 62.23 C ATOM 1296 CG HIS A 84 12.672 24.818 20.877 1.00 63.15 C ATOM 1297 ND1 HIS A 84 13.023 25.761 19.934 1.00 53.13 N ATOM 1298 CD2 HIS A 84 11.596 25.319 21.526 1.00 12.31 C ATOM 1299 CE1 HIS A 84 12.195 26.788 20.012 1.00 31.43 C ATOM 1300 NE2 HIS A 84 11.319 26.544 20.971 1.00 41.24 N ATOM 0 H HIS A 84 11.897 23.317 19.116 1.00 21.23 H new ATOM 0 HA HIS A 84 13.185 21.428 20.647 1.00 44.41 H new ATOM 0 HB2 HIS A 84 13.823 23.490 22.063 1.00 62.23 H new ATOM 0 HB3 HIS A 84 14.253 23.501 20.364 1.00 62.23 H new ATOM 0 HD2 HIS A 84 11.055 24.844 22.331 1.00 12.31 H new ATOM 0 HE1 HIS A 84 12.228 27.675 19.397 1.00 31.43 H new ATOM 0 HE2 HIS A 84 10.560 27.165 21.253 1.00 41.24 H new ATOM 1308 N SER A 85 10.465 22.509 22.063 1.00 43.12 N ATOM 1309 CA SER A 85 9.559 22.317 23.189 1.00 4.52 C ATOM 1310 C SER A 85 9.120 20.860 23.291 1.00 22.13 C ATOM 1311 O SER A 85 8.671 20.266 22.311 1.00 35.55 O ATOM 1312 CB SER A 85 8.334 23.222 23.045 1.00 1.21 C ATOM 1313 OG SER A 85 8.486 24.411 23.802 1.00 72.41 O ATOM 0 H SER A 85 10.071 23.048 21.292 1.00 43.12 H new ATOM 0 HA SER A 85 10.092 22.582 24.102 1.00 4.52 H new ATOM 0 HB2 SER A 85 8.185 23.472 21.995 1.00 1.21 H new ATOM 0 HB3 SER A 85 7.443 22.688 23.375 1.00 1.21 H new ATOM 0 HG SER A 85 7.691 24.973 23.692 1.00 72.41 H new ATOM 1319 N ASP A 86 9.254 20.291 24.484 1.00 23.40 N ATOM 1320 CA ASP A 86 8.871 18.903 24.716 1.00 31.13 C ATOM 1321 C ASP A 86 9.727 17.956 23.882 1.00 62.41 C ATOM 1322 O ASP A 86 9.358 16.802 23.658 1.00 31.01 O ATOM 1323 CB ASP A 86 7.392 18.698 24.386 1.00 54.01 C ATOM 1324 CG ASP A 86 6.529 18.600 25.629 1.00 51.43 C ATOM 1325 OD1 ASP A 86 6.843 19.286 26.624 1.00 53.44 O ATOM 1326 OD2 ASP A 86 5.540 17.837 25.607 1.00 44.23 O ATOM 0 H ASP A 86 9.625 20.769 25.305 1.00 23.40 H new ATOM 0 HA ASP A 86 9.035 18.678 25.770 1.00 31.13 H new ATOM 0 HB2 ASP A 86 7.042 19.526 23.769 1.00 54.01 H new ATOM 0 HB3 ASP A 86 7.277 17.789 23.795 1.00 54.01 H new ATOM 1331 N LEU A 87 10.872 18.450 23.423 1.00 33.02 N ATOM 1332 CA LEU A 87 11.781 17.648 22.612 1.00 61.00 C ATOM 1333 C LEU A 87 12.242 16.409 23.374 1.00 53.33 C ATOM 1334 O LEU A 87 12.699 15.435 22.776 1.00 42.22 O ATOM 1335 CB LEU A 87 12.992 18.483 22.192 1.00 24.54 C ATOM 1336 CG LEU A 87 14.202 17.700 21.680 1.00 31.41 C ATOM 1337 CD1 LEU A 87 13.834 16.900 20.440 1.00 31.10 C ATOM 1338 CD2 LEU A 87 15.361 18.641 21.386 1.00 73.05 C ATOM 0 H LEU A 87 11.193 19.402 23.599 1.00 33.02 H new ATOM 0 HA LEU A 87 11.244 17.324 21.721 1.00 61.00 H new ATOM 0 HB2 LEU A 87 12.677 19.177 21.413 1.00 24.54 H new ATOM 0 HB3 LEU A 87 13.308 19.084 23.045 1.00 24.54 H new ATOM 0 HG LEU A 87 14.515 17.003 22.457 1.00 31.41 H new ATOM 0 HD11 LEU A 87 14.707 16.349 20.090 1.00 31.10 H new ATOM 0 HD12 LEU A 87 13.036 16.198 20.683 1.00 31.10 H new ATOM 0 HD13 LEU A 87 13.495 17.578 19.657 1.00 31.10 H new ATOM 0 HD21 LEU A 87 16.213 18.066 21.023 1.00 73.05 H new ATOM 0 HD22 LEU A 87 15.060 19.363 20.627 1.00 73.05 H new ATOM 0 HD23 LEU A 87 15.641 19.169 22.298 1.00 73.05 H new ATOM 1350 N ASP A 88 12.116 16.453 24.695 1.00 11.34 N ATOM 1351 CA ASP A 88 12.516 15.333 25.539 1.00 2.32 C ATOM 1352 C ASP A 88 11.816 14.049 25.106 1.00 42.02 C ATOM 1353 O ASP A 88 12.324 12.950 25.325 1.00 35.43 O ATOM 1354 CB ASP A 88 12.198 15.632 27.005 1.00 3.41 C ATOM 1355 CG ASP A 88 13.354 16.301 27.723 1.00 21.45 C ATOM 1356 OD1 ASP A 88 14.516 15.955 27.426 1.00 45.55 O ATOM 1357 OD2 ASP A 88 13.096 17.168 28.584 1.00 3.13 O ATOM 0 H ASP A 88 11.740 17.252 25.205 1.00 11.34 H new ATOM 0 HA ASP A 88 13.592 15.194 25.430 1.00 2.32 H new ATOM 0 HB2 ASP A 88 11.319 16.275 27.059 1.00 3.41 H new ATOM 0 HB3 ASP A 88 11.945 14.703 27.516 1.00 3.41 H new ATOM 1362 N ALA A 89 10.648 14.197 24.490 1.00 34.24 N ATOM 1363 CA ALA A 89 9.879 13.049 24.026 1.00 55.25 C ATOM 1364 C ALA A 89 10.605 12.322 22.899 1.00 34.41 C ATOM 1365 O ALA A 89 10.343 11.148 22.636 1.00 42.34 O ATOM 1366 CB ALA A 89 8.497 13.491 23.567 1.00 73.23 C ATOM 0 H ALA A 89 10.214 15.100 24.301 1.00 34.24 H new ATOM 0 HA ALA A 89 9.769 12.355 24.859 1.00 55.25 H new ATOM 0 HB1 ALA A 89 7.933 12.624 23.223 1.00 73.23 H new ATOM 0 HB2 ALA A 89 7.970 13.960 24.398 1.00 73.23 H new ATOM 0 HB3 ALA A 89 8.596 14.206 22.751 1.00 73.23 H new ATOM 1372 N ALA A 90 11.517 13.026 22.237 1.00 33.02 N ATOM 1373 CA ALA A 90 12.281 12.446 21.140 1.00 42.20 C ATOM 1374 C ALA A 90 13.014 11.186 21.587 1.00 33.31 C ATOM 1375 O ALA A 90 13.048 10.187 20.868 1.00 42.33 O ATOM 1376 CB ALA A 90 13.268 13.465 20.588 1.00 32.32 C ATOM 0 H ALA A 90 11.745 13.999 22.441 1.00 33.02 H new ATOM 0 HA ALA A 90 11.583 12.168 20.351 1.00 42.20 H new ATOM 0 HB1 ALA A 90 13.832 13.019 19.769 1.00 32.32 H new ATOM 0 HB2 ALA A 90 12.725 14.336 20.222 1.00 32.32 H new ATOM 0 HB3 ALA A 90 13.955 13.771 21.377 1.00 32.32 H new ATOM 1382 N VAL A 91 13.600 11.239 22.779 1.00 35.42 N ATOM 1383 CA VAL A 91 14.331 10.101 23.322 1.00 25.35 C ATOM 1384 C VAL A 91 13.394 8.935 23.618 1.00 4.14 C ATOM 1385 O VAL A 91 13.562 7.839 23.083 1.00 55.51 O ATOM 1386 CB VAL A 91 15.083 10.481 24.612 1.00 63.21 C ATOM 1387 CG1 VAL A 91 16.020 9.359 25.034 1.00 3.42 C ATOM 1388 CG2 VAL A 91 15.848 11.781 24.418 1.00 3.34 C ATOM 0 H VAL A 91 13.583 12.058 23.387 1.00 35.42 H new ATOM 0 HA VAL A 91 15.054 9.799 22.564 1.00 25.35 H new ATOM 0 HB VAL A 91 14.353 10.631 25.408 1.00 63.21 H new ATOM 0 HG11 VAL A 91 16.542 9.645 25.947 1.00 3.42 H new ATOM 0 HG12 VAL A 91 15.443 8.452 25.215 1.00 3.42 H new ATOM 0 HG13 VAL A 91 16.747 9.175 24.243 1.00 3.42 H new ATOM 0 HG21 VAL A 91 16.373 12.035 25.339 1.00 3.34 H new ATOM 0 HG22 VAL A 91 16.569 11.662 23.610 1.00 3.34 H new ATOM 0 HG23 VAL A 91 15.150 12.580 24.166 1.00 3.34 H new ATOM 1398 N SER A 92 12.407 9.179 24.475 1.00 44.14 N ATOM 1399 CA SER A 92 11.444 8.149 24.845 1.00 65.40 C ATOM 1400 C SER A 92 10.787 7.549 23.606 1.00 54.33 C ATOM 1401 O SER A 92 10.377 6.389 23.607 1.00 63.23 O ATOM 1402 CB SER A 92 10.376 8.729 25.773 1.00 11.23 C ATOM 1403 OG SER A 92 9.424 7.744 26.135 1.00 61.55 O ATOM 0 H SER A 92 12.254 10.081 24.926 1.00 44.14 H new ATOM 0 HA SER A 92 11.979 7.358 25.370 1.00 65.40 H new ATOM 0 HB2 SER A 92 10.848 9.130 26.670 1.00 11.23 H new ATOM 0 HB3 SER A 92 9.873 9.560 25.279 1.00 11.23 H new ATOM 0 HG SER A 92 8.753 8.140 26.729 1.00 61.55 H new ATOM 1409 N ALA A 93 10.689 8.350 22.550 1.00 53.23 N ATOM 1410 CA ALA A 93 10.083 7.900 21.303 1.00 72.31 C ATOM 1411 C ALA A 93 10.764 6.637 20.786 1.00 30.13 C ATOM 1412 O ALA A 93 10.126 5.596 20.629 1.00 32.20 O ATOM 1413 CB ALA A 93 10.147 9.002 20.256 1.00 2.23 C ATOM 0 H ALA A 93 11.022 9.314 22.533 1.00 53.23 H new ATOM 0 HA ALA A 93 9.038 7.663 21.501 1.00 72.31 H new ATOM 0 HB1 ALA A 93 9.691 8.651 19.330 1.00 2.23 H new ATOM 0 HB2 ALA A 93 9.608 9.878 20.617 1.00 2.23 H new ATOM 0 HB3 ALA A 93 11.188 9.267 20.070 1.00 2.23 H new ATOM 1419 N TYR A 94 12.062 6.736 20.523 1.00 2.15 N ATOM 1420 CA TYR A 94 12.829 5.602 20.021 1.00 2.34 C ATOM 1421 C TYR A 94 12.676 4.392 20.938 1.00 51.22 C ATOM 1422 O TYR A 94 12.572 3.258 20.473 1.00 61.34 O ATOM 1423 CB TYR A 94 14.307 5.976 19.894 1.00 60.40 C ATOM 1424 CG TYR A 94 14.569 7.075 18.890 1.00 44.21 C ATOM 1425 CD1 TYR A 94 14.285 6.895 17.542 1.00 63.41 C ATOM 1426 CD2 TYR A 94 15.101 8.295 19.290 1.00 53.44 C ATOM 1427 CE1 TYR A 94 14.524 7.896 16.621 1.00 2.22 C ATOM 1428 CE2 TYR A 94 15.341 9.303 18.376 1.00 45.31 C ATOM 1429 CZ TYR A 94 15.052 9.099 17.043 1.00 61.31 C ATOM 1430 OH TYR A 94 15.290 10.099 16.129 1.00 42.50 O ATOM 0 H TYR A 94 12.605 7.590 20.649 1.00 2.15 H new ATOM 0 HA TYR A 94 12.441 5.340 19.037 1.00 2.34 H new ATOM 0 HB2 TYR A 94 14.679 6.290 20.869 1.00 60.40 H new ATOM 0 HB3 TYR A 94 14.874 5.090 19.607 1.00 60.40 H new ATOM 0 HD1 TYR A 94 13.870 5.955 17.208 1.00 63.41 H new ATOM 0 HD2 TYR A 94 15.331 8.458 20.333 1.00 53.44 H new ATOM 0 HE1 TYR A 94 14.299 7.738 15.577 1.00 2.22 H new ATOM 0 HE2 TYR A 94 15.753 10.246 18.704 1.00 45.31 H new ATOM 0 HH TYR A 94 15.661 10.881 16.589 1.00 42.50 H new ATOM 1440 N GLN A 95 12.662 4.644 22.243 1.00 43.43 N ATOM 1441 CA GLN A 95 12.522 3.576 23.225 1.00 12.33 C ATOM 1442 C GLN A 95 11.110 2.999 23.203 1.00 25.42 C ATOM 1443 O GLN A 95 10.891 1.857 23.608 1.00 2.44 O ATOM 1444 CB GLN A 95 12.851 4.096 24.626 1.00 51.33 C ATOM 1445 CG GLN A 95 14.334 4.344 24.850 1.00 70.23 C ATOM 1446 CD GLN A 95 14.723 4.275 26.313 1.00 34.34 C ATOM 1447 OE1 GLN A 95 15.502 3.413 26.721 1.00 71.33 O ATOM 1448 NE2 GLN A 95 14.180 5.185 27.114 1.00 63.02 N ATOM 0 H GLN A 95 12.746 5.578 22.644 1.00 43.43 H new ATOM 0 HA GLN A 95 13.224 2.783 22.965 1.00 12.33 H new ATOM 0 HB2 GLN A 95 12.306 5.024 24.797 1.00 51.33 H new ATOM 0 HB3 GLN A 95 12.496 3.377 25.364 1.00 51.33 H new ATOM 0 HG2 GLN A 95 14.910 3.608 24.290 1.00 70.23 H new ATOM 0 HG3 GLN A 95 14.598 5.324 24.454 1.00 70.23 H new ATOM 0 HE21 GLN A 95 13.539 5.882 26.734 1.00 63.02 H new ATOM 0 HE22 GLN A 95 14.404 5.187 28.109 1.00 63.02 H new ATOM 1457 N GLN A 96 10.158 3.794 22.728 1.00 11.40 N ATOM 1458 CA GLN A 96 8.768 3.361 22.655 1.00 55.43 C ATOM 1459 C GLN A 96 8.477 2.689 21.317 1.00 33.32 C ATOM 1460 O GLN A 96 7.505 1.946 21.183 1.00 50.34 O ATOM 1461 CB GLN A 96 7.829 4.553 22.855 1.00 61.34 C ATOM 1462 CG GLN A 96 7.438 4.782 24.306 1.00 51.35 C ATOM 1463 CD GLN A 96 7.001 6.209 24.574 1.00 44.15 C ATOM 1464 OE1 GLN A 96 7.082 7.070 23.697 1.00 3.32 O ATOM 1465 NE2 GLN A 96 6.535 6.467 25.790 1.00 53.13 N ATOM 0 H GLN A 96 10.323 4.741 22.388 1.00 11.40 H new ATOM 0 HA GLN A 96 8.598 2.635 23.450 1.00 55.43 H new ATOM 0 HB2 GLN A 96 8.310 5.452 22.471 1.00 61.34 H new ATOM 0 HB3 GLN A 96 6.926 4.397 22.264 1.00 61.34 H new ATOM 0 HG2 GLN A 96 6.629 4.102 24.572 1.00 51.35 H new ATOM 0 HG3 GLN A 96 8.284 4.538 24.949 1.00 51.35 H new ATOM 0 HE21 GLN A 96 6.486 5.723 26.486 1.00 53.13 H new ATOM 0 HE22 GLN A 96 6.226 7.409 26.029 1.00 53.13 H new ATOM 1474 N GLY A 97 9.326 2.954 20.329 1.00 2.44 N ATOM 1475 CA GLY A 97 9.143 2.367 19.015 1.00 54.30 C ATOM 1476 C GLY A 97 8.891 3.410 17.944 1.00 1.21 C ATOM 1477 O GLY A 97 8.247 3.129 16.934 1.00 13.41 O ATOM 0 H GLY A 97 10.138 3.565 20.416 1.00 2.44 H new ATOM 0 HA2 GLY A 97 10.028 1.788 18.753 1.00 54.30 H new ATOM 0 HA3 GLY A 97 8.304 1.671 19.045 1.00 54.30 H new ATOM 1481 N ALA A 98 9.400 4.618 18.166 1.00 74.14 N ATOM 1482 CA ALA A 98 9.227 5.706 17.211 1.00 12.24 C ATOM 1483 C ALA A 98 9.854 5.361 15.865 1.00 21.41 C ATOM 1484 O ALA A 98 10.678 4.451 15.768 1.00 21.10 O ATOM 1485 CB ALA A 98 9.828 6.991 17.762 1.00 50.03 C ATOM 0 H ALA A 98 9.935 4.867 18.998 1.00 74.14 H new ATOM 0 HA ALA A 98 8.158 5.854 17.056 1.00 12.24 H new ATOM 0 HB1 ALA A 98 9.692 7.795 17.039 1.00 50.03 H new ATOM 0 HB2 ALA A 98 9.331 7.254 18.696 1.00 50.03 H new ATOM 0 HB3 ALA A 98 10.892 6.845 17.946 1.00 50.03 H new ATOM 1491 N PHE A 99 9.459 6.092 14.828 1.00 35.42 N ATOM 1492 CA PHE A 99 9.981 5.861 13.486 1.00 21.15 C ATOM 1493 C PHE A 99 11.014 6.921 13.115 1.00 21.04 C ATOM 1494 O PHE A 99 12.177 6.607 12.860 1.00 51.40 O ATOM 1495 CB PHE A 99 8.842 5.863 12.465 1.00 12.31 C ATOM 1496 CG PHE A 99 9.230 5.290 11.132 1.00 4.42 C ATOM 1497 CD1 PHE A 99 9.464 3.932 10.989 1.00 41.23 C ATOM 1498 CD2 PHE A 99 9.362 6.110 10.023 1.00 75.24 C ATOM 1499 CE1 PHE A 99 9.823 3.403 9.763 1.00 33.35 C ATOM 1500 CE2 PHE A 99 9.719 5.586 8.795 1.00 64.24 C ATOM 1501 CZ PHE A 99 9.949 4.230 8.665 1.00 42.21 C ATOM 0 H PHE A 99 8.779 6.850 14.891 1.00 35.42 H new ATOM 0 HA PHE A 99 10.467 4.885 13.475 1.00 21.15 H new ATOM 0 HB2 PHE A 99 8.004 5.293 12.866 1.00 12.31 H new ATOM 0 HB3 PHE A 99 8.493 6.886 12.324 1.00 12.31 H new ATOM 0 HD1 PHE A 99 9.365 3.280 11.844 1.00 41.23 H new ATOM 0 HD2 PHE A 99 9.184 7.171 10.119 1.00 75.24 H new ATOM 0 HE1 PHE A 99 10.005 2.343 9.664 1.00 33.35 H new ATOM 0 HE2 PHE A 99 9.818 6.236 7.938 1.00 64.24 H new ATOM 0 HZ PHE A 99 10.227 3.818 7.706 1.00 42.21 H new ATOM 1511 N ASP A 100 10.581 8.176 13.087 1.00 14.34 N ATOM 1512 CA ASP A 100 11.467 9.284 12.748 1.00 33.22 C ATOM 1513 C ASP A 100 10.948 10.594 13.334 1.00 60.44 C ATOM 1514 O ASP A 100 9.876 10.634 13.937 1.00 33.13 O ATOM 1515 CB ASP A 100 11.604 9.408 11.230 1.00 2.41 C ATOM 1516 CG ASP A 100 13.047 9.329 10.771 1.00 11.50 C ATOM 1517 OD1 ASP A 100 13.834 10.231 11.129 1.00 20.32 O ATOM 1518 OD2 ASP A 100 13.389 8.366 10.054 1.00 1.13 O ATOM 0 H ASP A 100 9.621 8.452 13.295 1.00 14.34 H new ATOM 0 HA ASP A 100 12.447 9.078 13.178 1.00 33.22 H new ATOM 0 HB2 ASP A 100 11.029 8.616 10.750 1.00 2.41 H new ATOM 0 HB3 ASP A 100 11.174 10.355 10.905 1.00 2.41 H new ATOM 1523 N TYR A 101 11.716 11.662 13.152 1.00 63.10 N ATOM 1524 CA TYR A 101 11.336 12.973 13.665 1.00 23.31 C ATOM 1525 C TYR A 101 11.183 13.979 12.529 1.00 41.13 C ATOM 1526 O TYR A 101 12.169 14.420 11.936 1.00 21.24 O ATOM 1527 CB TYR A 101 12.378 13.473 14.667 1.00 30.12 C ATOM 1528 CG TYR A 101 11.951 14.716 15.415 1.00 61.12 C ATOM 1529 CD1 TYR A 101 10.741 14.759 16.096 1.00 11.12 C ATOM 1530 CD2 TYR A 101 12.757 15.847 15.439 1.00 40.31 C ATOM 1531 CE1 TYR A 101 10.346 15.893 16.780 1.00 22.31 C ATOM 1532 CE2 TYR A 101 12.371 16.985 16.121 1.00 22.33 C ATOM 1533 CZ TYR A 101 11.165 17.003 16.790 1.00 30.31 C ATOM 1534 OH TYR A 101 10.776 18.134 17.470 1.00 44.32 O ATOM 0 H TYR A 101 12.606 11.646 12.653 1.00 63.10 H new ATOM 0 HA TYR A 101 10.375 12.873 14.169 1.00 23.31 H new ATOM 0 HB2 TYR A 101 12.588 12.681 15.386 1.00 30.12 H new ATOM 0 HB3 TYR A 101 13.309 13.679 14.138 1.00 30.12 H new ATOM 0 HD1 TYR A 101 10.098 13.891 16.091 1.00 11.12 H new ATOM 0 HD2 TYR A 101 13.702 15.837 14.916 1.00 40.31 H new ATOM 0 HE1 TYR A 101 9.402 15.910 17.304 1.00 22.31 H new ATOM 0 HE2 TYR A 101 13.010 17.856 16.130 1.00 22.33 H new ATOM 0 HH TYR A 101 10.648 18.870 16.835 1.00 44.32 H new ATOM 1544 N LEU A 102 9.940 14.339 12.230 1.00 12.10 N ATOM 1545 CA LEU A 102 9.655 15.295 11.165 1.00 32.41 C ATOM 1546 C LEU A 102 9.090 16.592 11.734 1.00 12.04 C ATOM 1547 O LEU A 102 7.890 16.858 11.666 1.00 35.34 O ATOM 1548 CB LEU A 102 8.669 14.692 10.163 1.00 51.02 C ATOM 1549 CG LEU A 102 8.549 15.415 8.821 1.00 45.50 C ATOM 1550 CD1 LEU A 102 9.864 15.348 8.059 1.00 1.24 C ATOM 1551 CD2 LEU A 102 7.420 14.820 7.993 1.00 42.23 C ATOM 0 H LEU A 102 9.113 13.984 12.710 1.00 12.10 H new ATOM 0 HA LEU A 102 10.591 15.522 10.654 1.00 32.41 H new ATOM 0 HB2 LEU A 102 8.962 13.660 9.972 1.00 51.02 H new ATOM 0 HB3 LEU A 102 7.683 14.663 10.627 1.00 51.02 H new ATOM 0 HG LEU A 102 8.317 16.462 9.014 1.00 45.50 H new ATOM 0 HD11 LEU A 102 9.760 15.868 7.107 1.00 1.24 H new ATOM 0 HD12 LEU A 102 10.650 15.822 8.647 1.00 1.24 H new ATOM 0 HD13 LEU A 102 10.126 14.306 7.877 1.00 1.24 H new ATOM 0 HD21 LEU A 102 7.350 15.347 7.042 1.00 42.23 H new ATOM 0 HD22 LEU A 102 7.621 13.765 7.809 1.00 42.23 H new ATOM 0 HD23 LEU A 102 6.479 14.921 8.534 1.00 42.23 H new ATOM 1563 N PRO A 103 9.974 17.422 12.308 1.00 61.51 N ATOM 1564 CA PRO A 103 9.587 18.707 12.898 1.00 71.45 C ATOM 1565 C PRO A 103 9.167 19.725 11.843 1.00 1.13 C ATOM 1566 O PRO A 103 9.675 19.719 10.722 1.00 73.54 O ATOM 1567 CB PRO A 103 10.861 19.168 13.610 1.00 52.23 C ATOM 1568 CG PRO A 103 11.969 18.493 12.878 1.00 4.25 C ATOM 1569 CD PRO A 103 11.420 17.169 12.424 1.00 2.13 C ATOM 0 HA PRO A 103 8.725 18.610 13.558 1.00 71.45 H new ATOM 0 HB2 PRO A 103 10.965 20.252 13.573 1.00 52.23 H new ATOM 0 HB3 PRO A 103 10.851 18.884 14.662 1.00 52.23 H new ATOM 0 HG2 PRO A 103 12.297 19.092 12.028 1.00 4.25 H new ATOM 0 HG3 PRO A 103 12.836 18.355 13.524 1.00 4.25 H new ATOM 0 HD2 PRO A 103 11.852 16.860 11.472 1.00 2.13 H new ATOM 0 HD3 PRO A 103 11.633 16.378 13.143 1.00 2.13 H new ATOM 1577 N LYS A 104 8.237 20.601 12.210 1.00 25.43 N ATOM 1578 CA LYS A 104 7.750 21.628 11.297 1.00 31.52 C ATOM 1579 C LYS A 104 8.407 22.973 11.590 1.00 32.43 C ATOM 1580 O LYS A 104 8.880 23.232 12.697 1.00 33.51 O ATOM 1581 CB LYS A 104 6.229 21.756 11.407 1.00 51.11 C ATOM 1582 CG LYS A 104 5.722 21.781 12.839 1.00 43.04 C ATOM 1583 CD LYS A 104 4.228 22.053 12.897 1.00 64.41 C ATOM 1584 CE LYS A 104 3.732 22.132 14.332 1.00 10.24 C ATOM 1585 NZ LYS A 104 3.373 23.525 14.719 1.00 73.33 N ATOM 0 H LYS A 104 7.806 20.620 13.134 1.00 25.43 H new ATOM 0 HA LYS A 104 8.011 21.330 10.282 1.00 31.52 H new ATOM 0 HB2 LYS A 104 5.912 22.669 10.902 1.00 51.11 H new ATOM 0 HB3 LYS A 104 5.764 20.923 10.880 1.00 51.11 H new ATOM 0 HG2 LYS A 104 5.938 20.827 13.319 1.00 43.04 H new ATOM 0 HG3 LYS A 104 6.255 22.548 13.401 1.00 43.04 H new ATOM 0 HD2 LYS A 104 4.007 22.988 12.382 1.00 64.41 H new ATOM 0 HD3 LYS A 104 3.693 21.264 12.369 1.00 64.41 H new ATOM 0 HE2 LYS A 104 2.862 21.486 14.452 1.00 10.24 H new ATOM 0 HE3 LYS A 104 4.503 21.756 15.004 1.00 10.24 H new ATOM 0 HZ1 LYS A 104 3.040 23.537 15.704 1.00 73.33 H new ATOM 0 HZ2 LYS A 104 4.209 24.137 14.629 1.00 73.33 H new ATOM 0 HZ3 LYS A 104 2.619 23.876 14.094 1.00 73.33 H new ATOM 1599 N PRO A 105 8.437 23.851 10.577 1.00 72.10 N ATOM 1600 CA PRO A 105 7.878 23.554 9.255 1.00 75.51 C ATOM 1601 C PRO A 105 8.693 22.508 8.502 1.00 3.11 C ATOM 1602 O PRO A 105 9.924 22.547 8.504 1.00 31.01 O ATOM 1603 CB PRO A 105 7.939 24.902 8.532 1.00 31.45 C ATOM 1604 CG PRO A 105 9.042 25.643 9.206 1.00 32.42 C ATOM 1605 CD PRO A 105 9.019 25.202 10.644 1.00 64.44 C ATOM 0 HA PRO A 105 6.873 23.136 9.322 1.00 75.51 H new ATOM 0 HB2 PRO A 105 8.141 24.772 7.469 1.00 31.45 H new ATOM 0 HB3 PRO A 105 6.994 25.438 8.614 1.00 31.45 H new ATOM 0 HG2 PRO A 105 10.003 25.417 8.744 1.00 32.42 H new ATOM 0 HG3 PRO A 105 8.895 26.720 9.126 1.00 32.42 H new ATOM 0 HD2 PRO A 105 10.020 25.188 11.076 1.00 64.44 H new ATOM 0 HD3 PRO A 105 8.416 25.869 11.259 1.00 64.44 H new ATOM 1613 N PHE A 106 8.000 21.574 7.859 1.00 44.44 N ATOM 1614 CA PHE A 106 8.661 20.518 7.102 1.00 62.34 C ATOM 1615 C PHE A 106 8.220 20.537 5.641 1.00 12.41 C ATOM 1616 O PHE A 106 7.321 21.289 5.263 1.00 31.02 O ATOM 1617 CB PHE A 106 8.357 19.152 7.720 1.00 72.52 C ATOM 1618 CG PHE A 106 6.904 18.776 7.659 1.00 53.25 C ATOM 1619 CD1 PHE A 106 6.360 18.246 6.500 1.00 71.13 C ATOM 1620 CD2 PHE A 106 6.082 18.953 8.760 1.00 52.22 C ATOM 1621 CE1 PHE A 106 5.023 17.901 6.441 1.00 70.45 C ATOM 1622 CE2 PHE A 106 4.744 18.609 8.707 1.00 41.23 C ATOM 1623 CZ PHE A 106 4.214 18.081 7.546 1.00 44.23 C ATOM 0 H PHE A 106 6.981 21.527 7.847 1.00 44.44 H new ATOM 0 HA PHE A 106 9.736 20.696 7.141 1.00 62.34 H new ATOM 0 HB2 PHE A 106 8.943 18.391 7.205 1.00 72.52 H new ATOM 0 HB3 PHE A 106 8.680 19.153 8.761 1.00 72.52 H new ATOM 0 HD1 PHE A 106 6.988 18.101 5.633 1.00 71.13 H new ATOM 0 HD2 PHE A 106 6.491 19.365 9.671 1.00 52.22 H new ATOM 0 HE1 PHE A 106 4.611 17.491 5.531 1.00 70.45 H new ATOM 0 HE2 PHE A 106 4.114 18.753 9.572 1.00 41.23 H new ATOM 0 HZ PHE A 106 3.170 17.810 7.502 1.00 44.23 H new ATOM 1633 N ASP A 107 8.859 19.707 4.825 1.00 31.51 N ATOM 1634 CA ASP A 107 8.533 19.627 3.406 1.00 52.11 C ATOM 1635 C ASP A 107 7.702 18.383 3.108 1.00 13.10 C ATOM 1636 O ASP A 107 8.225 17.269 3.071 1.00 44.35 O ATOM 1637 CB ASP A 107 9.812 19.614 2.567 1.00 54.21 C ATOM 1638 CG ASP A 107 10.663 20.849 2.790 1.00 72.21 C ATOM 1639 OD1 ASP A 107 10.207 21.956 2.436 1.00 55.40 O ATOM 1640 OD2 ASP A 107 11.785 20.708 3.319 1.00 31.41 O ATOM 0 H ASP A 107 9.606 19.079 5.122 1.00 31.51 H new ATOM 0 HA ASP A 107 7.944 20.506 3.144 1.00 52.11 H new ATOM 0 HB2 ASP A 107 10.395 18.726 2.812 1.00 54.21 H new ATOM 0 HB3 ASP A 107 9.550 19.543 1.511 1.00 54.21 H new ATOM 1645 N ILE A 108 6.405 18.581 2.898 1.00 34.31 N ATOM 1646 CA ILE A 108 5.502 17.475 2.604 1.00 72.12 C ATOM 1647 C ILE A 108 6.053 16.598 1.485 1.00 40.04 C ATOM 1648 O ILE A 108 5.753 15.406 1.411 1.00 43.20 O ATOM 1649 CB ILE A 108 4.104 17.981 2.203 1.00 54.13 C ATOM 1650 CG1 ILE A 108 4.153 18.645 0.825 1.00 65.21 C ATOM 1651 CG2 ILE A 108 3.573 18.953 3.246 1.00 52.01 C ATOM 1652 CD1 ILE A 108 4.917 19.951 0.810 1.00 32.45 C ATOM 0 H ILE A 108 5.956 19.496 2.926 1.00 34.31 H new ATOM 0 HA ILE A 108 5.418 16.885 3.517 1.00 72.12 H new ATOM 0 HB ILE A 108 3.427 17.128 2.151 1.00 54.13 H new ATOM 0 HG12 ILE A 108 4.612 17.957 0.115 1.00 65.21 H new ATOM 0 HG13 ILE A 108 3.134 18.825 0.481 1.00 65.21 H new ATOM 0 HG21 ILE A 108 2.584 19.302 2.948 1.00 52.01 H new ATOM 0 HG22 ILE A 108 3.505 18.450 4.211 1.00 52.01 H new ATOM 0 HG23 ILE A 108 4.249 19.804 3.327 1.00 52.01 H new ATOM 0 HD11 ILE A 108 4.910 20.365 -0.198 1.00 32.45 H new ATOM 0 HD12 ILE A 108 4.446 20.656 1.495 1.00 32.45 H new ATOM 0 HD13 ILE A 108 5.946 19.774 1.123 1.00 32.45 H new ATOM 1664 N ASP A 109 6.862 17.196 0.616 1.00 34.54 N ATOM 1665 CA ASP A 109 7.458 16.469 -0.498 1.00 61.53 C ATOM 1666 C ASP A 109 8.276 15.282 0.002 1.00 10.13 C ATOM 1667 O ASP A 109 8.264 14.210 -0.601 1.00 33.32 O ATOM 1668 CB ASP A 109 8.343 17.400 -1.328 1.00 0.44 C ATOM 1669 CG ASP A 109 7.944 17.428 -2.790 1.00 12.41 C ATOM 1670 OD1 ASP A 109 6.754 17.679 -3.076 1.00 0.12 O ATOM 1671 OD2 ASP A 109 8.821 17.201 -3.648 1.00 63.54 O ATOM 0 H ASP A 109 7.119 18.182 0.662 1.00 34.54 H new ATOM 0 HA ASP A 109 6.651 16.092 -1.126 1.00 61.53 H new ATOM 0 HB2 ASP A 109 8.287 18.409 -0.920 1.00 0.44 H new ATOM 0 HB3 ASP A 109 9.381 17.080 -1.244 1.00 0.44 H new ATOM 1676 N GLU A 110 8.986 15.484 1.108 1.00 62.32 N ATOM 1677 CA GLU A 110 9.811 14.430 1.687 1.00 4.45 C ATOM 1678 C GLU A 110 8.992 13.554 2.631 1.00 40.34 C ATOM 1679 O GLU A 110 9.348 12.406 2.895 1.00 50.24 O ATOM 1680 CB GLU A 110 10.998 15.037 2.439 1.00 1.12 C ATOM 1681 CG GLU A 110 12.216 14.129 2.489 1.00 55.30 C ATOM 1682 CD GLU A 110 12.926 14.032 1.153 1.00 50.42 C ATOM 1683 OE1 GLU A 110 12.543 14.773 0.223 1.00 74.42 O ATOM 1684 OE2 GLU A 110 13.864 13.217 1.037 1.00 64.10 O ATOM 0 H GLU A 110 9.006 16.366 1.620 1.00 62.32 H new ATOM 0 HA GLU A 110 10.184 13.808 0.874 1.00 4.45 H new ATOM 0 HB2 GLU A 110 11.276 15.978 1.964 1.00 1.12 H new ATOM 0 HB3 GLU A 110 10.690 15.274 3.457 1.00 1.12 H new ATOM 0 HG2 GLU A 110 12.912 14.502 3.240 1.00 55.30 H new ATOM 0 HG3 GLU A 110 11.909 13.132 2.806 1.00 55.30 H new ATOM 1691 N ALA A 111 7.893 14.105 3.136 1.00 41.35 N ATOM 1692 CA ALA A 111 7.022 13.375 4.048 1.00 61.32 C ATOM 1693 C ALA A 111 6.163 12.364 3.295 1.00 22.14 C ATOM 1694 O ALA A 111 5.913 11.262 3.783 1.00 22.51 O ATOM 1695 CB ALA A 111 6.143 14.342 4.826 1.00 35.00 C ATOM 0 H ALA A 111 7.585 15.055 2.929 1.00 41.35 H new ATOM 0 HA ALA A 111 7.650 12.827 4.751 1.00 61.32 H new ATOM 0 HB1 ALA A 111 5.498 13.783 5.503 1.00 35.00 H new ATOM 0 HB2 ALA A 111 6.771 15.022 5.402 1.00 35.00 H new ATOM 0 HB3 ALA A 111 5.530 14.916 4.131 1.00 35.00 H new ATOM 1701 N VAL A 112 5.713 12.747 2.105 1.00 71.12 N ATOM 1702 CA VAL A 112 4.882 11.874 1.285 1.00 71.44 C ATOM 1703 C VAL A 112 5.517 10.496 1.131 1.00 13.11 C ATOM 1704 O VAL A 112 4.827 9.478 1.152 1.00 35.51 O ATOM 1705 CB VAL A 112 4.644 12.476 -0.113 1.00 32.31 C ATOM 1706 CG1 VAL A 112 3.944 11.471 -1.015 1.00 71.22 C ATOM 1707 CG2 VAL A 112 3.839 13.762 -0.008 1.00 54.03 C ATOM 0 H VAL A 112 5.910 13.656 1.687 1.00 71.12 H new ATOM 0 HA VAL A 112 3.925 11.775 1.798 1.00 71.44 H new ATOM 0 HB VAL A 112 5.611 12.714 -0.557 1.00 32.31 H new ATOM 0 HG11 VAL A 112 3.784 11.914 -1.998 1.00 71.22 H new ATOM 0 HG12 VAL A 112 4.563 10.579 -1.115 1.00 71.22 H new ATOM 0 HG13 VAL A 112 2.983 11.199 -0.579 1.00 71.22 H new ATOM 0 HG21 VAL A 112 3.680 14.174 -1.004 1.00 54.03 H new ATOM 0 HG22 VAL A 112 2.875 13.551 0.456 1.00 54.03 H new ATOM 0 HG23 VAL A 112 4.384 14.484 0.600 1.00 54.03 H new ATOM 1717 N ALA A 113 6.837 10.473 0.977 1.00 34.32 N ATOM 1718 CA ALA A 113 7.566 9.220 0.823 1.00 74.02 C ATOM 1719 C ALA A 113 7.880 8.597 2.179 1.00 43.23 C ATOM 1720 O ALA A 113 7.997 7.377 2.301 1.00 53.00 O ATOM 1721 CB ALA A 113 8.847 9.449 0.035 1.00 72.33 C ATOM 0 H ALA A 113 7.423 11.308 0.956 1.00 34.32 H new ATOM 0 HA ALA A 113 6.933 8.525 0.272 1.00 74.02 H new ATOM 0 HB1 ALA A 113 9.382 8.505 -0.073 1.00 72.33 H new ATOM 0 HB2 ALA A 113 8.602 9.842 -0.952 1.00 72.33 H new ATOM 0 HB3 ALA A 113 9.477 10.164 0.564 1.00 72.33 H new ATOM 1727 N LEU A 114 8.018 9.442 3.195 1.00 72.23 N ATOM 1728 CA LEU A 114 8.320 8.974 4.543 1.00 20.00 C ATOM 1729 C LEU A 114 7.101 8.310 5.175 1.00 12.53 C ATOM 1730 O LEU A 114 7.229 7.491 6.085 1.00 73.43 O ATOM 1731 CB LEU A 114 8.790 10.140 5.415 1.00 22.51 C ATOM 1732 CG LEU A 114 8.799 9.888 6.923 1.00 5.23 C ATOM 1733 CD1 LEU A 114 9.973 9.002 7.310 1.00 65.04 C ATOM 1734 CD2 LEU A 114 8.851 11.206 7.683 1.00 33.42 C ATOM 0 H LEU A 114 7.926 10.454 3.111 1.00 72.23 H new ATOM 0 HA LEU A 114 9.118 8.235 4.474 1.00 20.00 H new ATOM 0 HB2 LEU A 114 9.799 10.415 5.107 1.00 22.51 H new ATOM 0 HB3 LEU A 114 8.150 10.999 5.214 1.00 22.51 H new ATOM 0 HG LEU A 114 7.877 9.372 7.191 1.00 5.23 H new ATOM 0 HD11 LEU A 114 9.963 8.834 8.387 1.00 65.04 H new ATOM 0 HD12 LEU A 114 9.893 8.046 6.793 1.00 65.04 H new ATOM 0 HD13 LEU A 114 10.906 9.490 7.028 1.00 65.04 H new ATOM 0 HD21 LEU A 114 8.857 11.008 8.755 1.00 33.42 H new ATOM 0 HD22 LEU A 114 9.756 11.748 7.409 1.00 33.42 H new ATOM 0 HD23 LEU A 114 7.977 11.807 7.430 1.00 33.42 H new ATOM 1746 N VAL A 115 5.918 8.669 4.686 1.00 71.00 N ATOM 1747 CA VAL A 115 4.675 8.106 5.201 1.00 43.14 C ATOM 1748 C VAL A 115 4.618 6.600 4.972 1.00 71.04 C ATOM 1749 O VAL A 115 4.241 5.841 5.864 1.00 53.13 O ATOM 1750 CB VAL A 115 3.447 8.762 4.542 1.00 60.43 C ATOM 1751 CG1 VAL A 115 2.168 8.076 4.996 1.00 15.24 C ATOM 1752 CG2 VAL A 115 3.405 10.249 4.856 1.00 41.53 C ATOM 0 H VAL A 115 5.794 9.347 3.934 1.00 71.00 H new ATOM 0 HA VAL A 115 4.655 8.308 6.272 1.00 43.14 H new ATOM 0 HB VAL A 115 3.530 8.645 3.461 1.00 60.43 H new ATOM 0 HG11 VAL A 115 1.311 8.553 4.520 1.00 15.24 H new ATOM 0 HG12 VAL A 115 2.200 7.023 4.715 1.00 15.24 H new ATOM 0 HG13 VAL A 115 2.075 8.160 6.079 1.00 15.24 H new ATOM 0 HG21 VAL A 115 2.531 10.696 4.382 1.00 41.53 H new ATOM 0 HG22 VAL A 115 3.346 10.391 5.935 1.00 41.53 H new ATOM 0 HG23 VAL A 115 4.308 10.727 4.476 1.00 41.53 H new ATOM 1762 N GLU A 116 4.995 6.175 3.770 1.00 64.30 N ATOM 1763 CA GLU A 116 4.986 4.758 3.424 1.00 4.21 C ATOM 1764 C GLU A 116 6.262 4.073 3.904 1.00 23.33 C ATOM 1765 O GLU A 116 6.306 2.851 4.050 1.00 62.02 O ATOM 1766 CB GLU A 116 4.837 4.581 1.912 1.00 62.44 C ATOM 1767 CG GLU A 116 3.784 5.484 1.294 1.00 53.53 C ATOM 1768 CD GLU A 116 2.993 4.795 0.199 1.00 33.21 C ATOM 1769 OE1 GLU A 116 3.517 3.827 -0.391 1.00 32.55 O ATOM 1770 OE2 GLU A 116 1.851 5.223 -0.068 1.00 74.10 O ATOM 0 H GLU A 116 5.310 6.791 3.020 1.00 64.30 H new ATOM 0 HA GLU A 116 4.135 4.294 3.923 1.00 4.21 H new ATOM 0 HB2 GLU A 116 5.797 4.778 1.435 1.00 62.44 H new ATOM 0 HB3 GLU A 116 4.583 3.543 1.700 1.00 62.44 H new ATOM 0 HG2 GLU A 116 3.100 5.823 2.072 1.00 53.53 H new ATOM 0 HG3 GLU A 116 4.267 6.371 0.885 1.00 53.53 H new ATOM 1777 N ARG A 117 7.299 4.868 4.148 1.00 14.31 N ATOM 1778 CA ARG A 117 8.576 4.339 4.610 1.00 61.00 C ATOM 1779 C ARG A 117 8.373 3.352 5.756 1.00 4.32 C ATOM 1780 O ARG A 117 9.011 2.301 5.803 1.00 3.04 O ATOM 1781 CB ARG A 117 9.492 5.479 5.060 1.00 71.20 C ATOM 1782 CG ARG A 117 10.688 5.696 4.147 1.00 31.44 C ATOM 1783 CD ARG A 117 11.988 5.740 4.934 1.00 3.35 C ATOM 1784 NE ARG A 117 12.587 4.416 5.077 1.00 4.13 N ATOM 1785 CZ ARG A 117 13.112 3.734 4.065 1.00 22.15 C ATOM 1786 NH1 ARG A 117 13.112 4.249 2.844 1.00 61.33 N ATOM 1787 NH2 ARG A 117 13.639 2.534 4.275 1.00 1.30 N ATOM 0 H ARG A 117 7.279 5.881 4.033 1.00 14.31 H new ATOM 0 HA ARG A 117 9.045 3.812 3.779 1.00 61.00 H new ATOM 0 HB2 ARG A 117 8.913 6.401 5.111 1.00 71.20 H new ATOM 0 HB3 ARG A 117 9.849 5.271 6.069 1.00 71.20 H new ATOM 0 HG2 ARG A 117 10.735 4.895 3.410 1.00 31.44 H new ATOM 0 HG3 ARG A 117 10.563 6.628 3.597 1.00 31.44 H new ATOM 0 HD2 ARG A 117 12.692 6.404 4.433 1.00 3.35 H new ATOM 0 HD3 ARG A 117 11.800 6.161 5.922 1.00 3.35 H new ATOM 0 HE ARG A 117 12.603 3.992 6.004 1.00 4.13 H new ATOM 0 HH11 ARG A 117 12.708 5.171 2.679 1.00 61.33 H new ATOM 0 HH12 ARG A 117 13.516 3.723 2.069 1.00 61.33 H new ATOM 0 HH21 ARG A 117 13.641 2.135 5.214 1.00 1.30 H new ATOM 0 HH22 ARG A 117 14.042 2.011 3.498 1.00 1.30 H new ATOM 1801 N ALA A 118 7.482 3.700 6.678 1.00 35.43 N ATOM 1802 CA ALA A 118 7.194 2.844 7.823 1.00 12.40 C ATOM 1803 C ALA A 118 6.158 1.783 7.469 1.00 54.22 C ATOM 1804 O ALA A 118 6.248 0.640 7.918 1.00 52.13 O ATOM 1805 CB ALA A 118 6.714 3.681 9.000 1.00 40.34 C ATOM 0 H ALA A 118 6.947 4.568 6.655 1.00 35.43 H new ATOM 0 HA ALA A 118 8.115 2.334 8.105 1.00 12.40 H new ATOM 0 HB1 ALA A 118 6.503 3.029 9.848 1.00 40.34 H new ATOM 0 HB2 ALA A 118 7.488 4.397 9.277 1.00 40.34 H new ATOM 0 HB3 ALA A 118 5.807 4.217 8.720 1.00 40.34 H new ATOM 1811 N ILE A 119 5.174 2.169 6.662 1.00 24.15 N ATOM 1812 CA ILE A 119 4.122 1.250 6.248 1.00 33.35 C ATOM 1813 C ILE A 119 4.700 0.049 5.507 1.00 2.14 C ATOM 1814 O ILE A 119 4.107 -1.029 5.493 1.00 21.42 O ATOM 1815 CB ILE A 119 3.088 1.948 5.344 1.00 24.44 C ATOM 1816 CG1 ILE A 119 2.522 3.186 6.042 1.00 42.21 C ATOM 1817 CG2 ILE A 119 1.971 0.984 4.975 1.00 32.43 C ATOM 1818 CD1 ILE A 119 1.666 4.048 5.141 1.00 14.22 C ATOM 0 H ILE A 119 5.084 3.112 6.283 1.00 24.15 H new ATOM 0 HA ILE A 119 3.626 0.909 7.157 1.00 33.35 H new ATOM 0 HB ILE A 119 3.584 2.266 4.427 1.00 24.44 H new ATOM 0 HG12 ILE A 119 1.929 2.870 6.900 1.00 42.21 H new ATOM 0 HG13 ILE A 119 3.347 3.785 6.428 1.00 42.21 H new ATOM 0 HG21 ILE A 119 1.248 1.492 4.336 1.00 32.43 H new ATOM 0 HG22 ILE A 119 2.389 0.130 4.442 1.00 32.43 H new ATOM 0 HG23 ILE A 119 1.474 0.639 5.882 1.00 32.43 H new ATOM 0 HD11 ILE A 119 1.298 4.907 5.702 1.00 14.22 H new ATOM 0 HD12 ILE A 119 2.261 4.394 4.296 1.00 14.22 H new ATOM 0 HD13 ILE A 119 0.821 3.465 4.775 1.00 14.22 H new ATOM 1830 N SER A 120 5.863 0.244 4.894 1.00 62.42 N ATOM 1831 CA SER A 120 6.522 -0.823 4.149 1.00 40.34 C ATOM 1832 C SER A 120 6.752 -2.043 5.035 1.00 5.22 C ATOM 1833 O SER A 120 6.424 -3.169 4.659 1.00 0.45 O ATOM 1834 CB SER A 120 7.855 -0.330 3.583 1.00 4.11 C ATOM 1835 OG SER A 120 8.138 -0.942 2.337 1.00 63.31 O ATOM 0 H SER A 120 6.368 1.130 4.898 1.00 62.42 H new ATOM 0 HA SER A 120 5.870 -1.113 3.325 1.00 40.34 H new ATOM 0 HB2 SER A 120 7.824 0.753 3.461 1.00 4.11 H new ATOM 0 HB3 SER A 120 8.656 -0.548 4.289 1.00 4.11 H new ATOM 0 HG SER A 120 8.994 -0.609 1.996 1.00 63.31 H new ATOM 1841 N HIS A 121 7.320 -1.811 6.215 1.00 52.32 N ATOM 1842 CA HIS A 121 7.594 -2.890 7.157 1.00 64.14 C ATOM 1843 C HIS A 121 6.329 -3.691 7.449 1.00 62.11 C ATOM 1844 O HIS A 121 6.393 -4.884 7.746 1.00 32.22 O ATOM 1845 CB HIS A 121 8.167 -2.327 8.457 1.00 3.24 C ATOM 1846 CG HIS A 121 8.644 -3.381 9.408 1.00 23.40 C ATOM 1847 ND1 HIS A 121 9.967 -3.754 9.517 1.00 45.32 N ATOM 1848 CD2 HIS A 121 7.966 -4.143 10.298 1.00 62.20 C ATOM 1849 CE1 HIS A 121 10.083 -4.700 10.431 1.00 35.13 C ATOM 1850 NE2 HIS A 121 8.882 -4.954 10.921 1.00 64.40 N ATOM 0 H HIS A 121 7.599 -0.886 6.541 1.00 52.32 H new ATOM 0 HA HIS A 121 8.328 -3.557 6.704 1.00 64.14 H new ATOM 0 HB2 HIS A 121 8.997 -1.661 8.220 1.00 3.24 H new ATOM 0 HB3 HIS A 121 7.404 -1.724 8.949 1.00 3.24 H new ATOM 0 HD2 HIS A 121 6.902 -4.118 10.483 1.00 62.20 H new ATOM 0 HE1 HIS A 121 11.002 -5.184 10.727 1.00 35.13 H new ATOM 0 HE2 HIS A 121 8.670 -5.641 11.645 1.00 64.40 H new