USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 630 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 Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0502 K(o=-0.05,f=-0.77) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00918 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 40:sc= 0.0918 USER MOD Single : A 14 THR OG1 : rot 30:sc= 0.342 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= -1.3 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.159 K(o=-0.16,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.531 K(o=-0.53,f=-3.4!) USER MOD Single : A 41 GLN : amide:sc= -0.887 K(o=-0.89,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= -0.0623 (180deg=-0.49) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 52:sc= 0.468 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0465 USER MOD Single : A 59 TYR OH : rot -175:sc= 0.0215 USER MOD Single : A 60 ASN : amide:sc= 0.096 X(o=0.096,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 4.133 4.420 2.729 1.00 31.33 N ATOM 2 CA GLY A 0 4.633 3.512 1.714 1.00 63.41 C ATOM 3 C GLY A 0 3.836 3.585 0.427 1.00 43.34 C ATOM 4 O GLY A 0 2.867 2.849 0.246 1.00 62.30 O ATOM 0 H1 GLY A 0 4.711 4.332 3.589 1.00 31.33 H new ATOM 0 H2 GLY A 0 4.184 5.397 2.376 1.00 31.33 H new ATOM 0 H3 GLY A 0 3.145 4.183 2.951 1.00 31.33 H new ATOM 0 HA2 GLY A 0 5.677 3.745 1.505 1.00 63.41 H new ATOM 0 HA3 GLY A 0 4.605 2.492 2.098 1.00 63.41 H new ATOM 8 N MET A 1 4.244 4.478 -0.470 1.00 21.23 N ATOM 9 CA MET A 1 3.560 4.645 -1.747 1.00 2.02 C ATOM 10 C MET A 1 4.532 4.476 -2.910 1.00 61.12 C ATOM 11 O MET A 1 5.196 5.428 -3.319 1.00 1.25 O ATOM 12 CB MET A 1 2.896 6.022 -1.818 1.00 23.53 C ATOM 13 CG MET A 1 2.074 6.364 -0.586 1.00 75.42 C ATOM 14 SD MET A 1 0.443 7.013 -0.999 1.00 10.34 S ATOM 15 CE MET A 1 -0.280 7.174 0.632 1.00 21.03 C ATOM 0 H MET A 1 5.044 5.096 -0.336 1.00 21.23 H new ATOM 0 HA MET A 1 2.792 3.875 -1.823 1.00 2.02 H new ATOM 0 HB2 MET A 1 3.666 6.781 -1.953 1.00 23.53 H new ATOM 0 HB3 MET A 1 2.252 6.061 -2.697 1.00 23.53 H new ATOM 0 HG2 MET A 1 1.961 5.472 0.030 1.00 75.42 H new ATOM 0 HG3 MET A 1 2.612 7.099 0.013 1.00 75.42 H new ATOM 0 HE1 MET A 1 -1.293 7.566 0.544 1.00 21.03 H new ATOM 0 HE2 MET A 1 -0.309 6.197 1.115 1.00 21.03 H new ATOM 0 HE3 MET A 1 0.322 7.857 1.231 1.00 21.03 H new ATOM 25 N GLN A 2 4.610 3.259 -3.438 1.00 70.33 N ATOM 26 CA GLN A 2 5.502 2.966 -4.554 1.00 1.11 C ATOM 27 C GLN A 2 4.781 3.136 -5.887 1.00 33.22 C ATOM 28 O GLN A 2 3.578 2.890 -5.988 1.00 64.03 O ATOM 29 CB GLN A 2 6.052 1.544 -4.435 1.00 72.43 C ATOM 30 CG GLN A 2 4.971 0.482 -4.307 1.00 52.41 C ATOM 31 CD GLN A 2 5.350 -0.821 -4.982 1.00 55.04 C ATOM 32 OE1 GLN A 2 6.530 -1.108 -5.185 1.00 75.43 O ATOM 33 NE2 GLN A 2 4.348 -1.618 -5.335 1.00 32.44 N ATOM 0 H GLN A 2 4.067 2.460 -3.111 1.00 70.33 H new ATOM 0 HA GLN A 2 6.331 3.672 -4.518 1.00 1.11 H new ATOM 0 HB2 GLN A 2 6.663 1.325 -5.311 1.00 72.43 H new ATOM 0 HB3 GLN A 2 6.709 1.489 -3.567 1.00 72.43 H new ATOM 0 HG2 GLN A 2 4.773 0.296 -3.251 1.00 52.41 H new ATOM 0 HG3 GLN A 2 4.045 0.857 -4.743 1.00 52.41 H new ATOM 0 HE21 GLN A 2 3.385 -1.340 -5.147 1.00 32.44 H new ATOM 0 HE22 GLN A 2 4.542 -2.508 -5.794 1.00 32.44 H new ATOM 42 N ILE A 3 5.522 3.557 -6.906 1.00 1.33 N ATOM 43 CA ILE A 3 4.953 3.759 -8.232 1.00 55.21 C ATOM 44 C ILE A 3 5.772 3.039 -9.298 1.00 0.23 C ATOM 45 O ILE A 3 6.880 2.571 -9.033 1.00 52.34 O ATOM 46 CB ILE A 3 4.870 5.255 -8.588 1.00 3.42 C ATOM 47 CG1 ILE A 3 6.274 5.859 -8.675 1.00 75.05 C ATOM 48 CG2 ILE A 3 4.031 5.999 -7.559 1.00 63.12 C ATOM 49 CD1 ILE A 3 6.839 5.872 -10.078 1.00 63.43 C ATOM 0 H ILE A 3 6.518 3.765 -6.838 1.00 1.33 H new ATOM 0 HA ILE A 3 3.946 3.343 -8.209 1.00 55.21 H new ATOM 0 HB ILE A 3 4.390 5.356 -9.561 1.00 3.42 H new ATOM 0 HG12 ILE A 3 6.246 6.880 -8.294 1.00 75.05 H new ATOM 0 HG13 ILE A 3 6.945 5.295 -8.027 1.00 75.05 H new ATOM 0 HG21 ILE A 3 3.982 7.055 -7.824 1.00 63.12 H new ATOM 0 HG22 ILE A 3 3.024 5.582 -7.541 1.00 63.12 H new ATOM 0 HG23 ILE A 3 4.485 5.893 -6.574 1.00 63.12 H new ATOM 0 HD11 ILE A 3 7.836 6.313 -10.065 1.00 63.43 H new ATOM 0 HD12 ILE A 3 6.899 4.851 -10.455 1.00 63.43 H new ATOM 0 HD13 ILE A 3 6.190 6.461 -10.726 1.00 63.43 H new ATOM 61 N PHE A 4 5.221 2.955 -10.504 1.00 12.40 N ATOM 62 CA PHE A 4 5.901 2.293 -11.611 1.00 50.30 C ATOM 63 C PHE A 4 5.802 3.126 -12.886 1.00 72.41 C ATOM 64 O PHE A 4 4.713 3.528 -13.295 1.00 74.34 O ATOM 65 CB PHE A 4 5.303 0.905 -11.847 1.00 65.32 C ATOM 66 CG PHE A 4 6.292 -0.212 -11.667 1.00 11.22 C ATOM 67 CD1 PHE A 4 7.318 -0.401 -12.579 1.00 54.20 C ATOM 68 CD2 PHE A 4 6.196 -1.072 -10.585 1.00 12.22 C ATOM 69 CE1 PHE A 4 8.228 -1.428 -12.416 1.00 12.23 C ATOM 70 CE2 PHE A 4 7.103 -2.101 -10.416 1.00 45.50 C ATOM 71 CZ PHE A 4 8.121 -2.278 -11.332 1.00 45.03 C ATOM 0 H PHE A 4 4.305 3.337 -10.740 1.00 12.40 H new ATOM 0 HA PHE A 4 6.954 2.188 -11.348 1.00 50.30 H new ATOM 0 HB2 PHE A 4 4.469 0.756 -11.161 1.00 65.32 H new ATOM 0 HB3 PHE A 4 4.896 0.860 -12.857 1.00 65.32 H new ATOM 0 HD1 PHE A 4 7.407 0.262 -13.427 1.00 54.20 H new ATOM 0 HD2 PHE A 4 5.403 -0.937 -9.865 1.00 12.22 H new ATOM 0 HE1 PHE A 4 9.022 -1.566 -13.135 1.00 12.23 H new ATOM 0 HE2 PHE A 4 7.016 -2.765 -9.569 1.00 45.50 H new ATOM 0 HZ PHE A 4 8.833 -3.080 -11.201 1.00 45.03 H new ATOM 81 N VAL A 5 6.948 3.381 -13.510 1.00 33.04 N ATOM 82 CA VAL A 5 6.991 4.165 -14.738 1.00 64.22 C ATOM 83 C VAL A 5 7.467 3.318 -15.914 1.00 0.35 C ATOM 84 O VAL A 5 8.472 2.613 -15.819 1.00 35.31 O ATOM 85 CB VAL A 5 7.918 5.387 -14.592 1.00 33.33 C ATOM 86 CG1 VAL A 5 9.352 4.943 -14.344 1.00 54.43 C ATOM 87 CG2 VAL A 5 7.830 6.272 -15.826 1.00 0.14 C ATOM 0 H VAL A 5 7.859 3.056 -13.185 1.00 33.04 H new ATOM 0 HA VAL A 5 5.975 4.510 -14.929 1.00 64.22 H new ATOM 0 HB VAL A 5 7.590 5.970 -13.731 1.00 33.33 H new ATOM 0 HG11 VAL A 5 9.992 5.820 -14.244 1.00 54.43 H new ATOM 0 HG12 VAL A 5 9.397 4.354 -13.428 1.00 54.43 H new ATOM 0 HG13 VAL A 5 9.695 4.337 -15.182 1.00 54.43 H new ATOM 0 HG21 VAL A 5 8.491 7.130 -15.706 1.00 0.14 H new ATOM 0 HG22 VAL A 5 8.131 5.702 -16.705 1.00 0.14 H new ATOM 0 HG23 VAL A 5 6.804 6.619 -15.953 1.00 0.14 H new ATOM 97 N LYS A 6 6.739 3.393 -17.022 1.00 50.55 N ATOM 98 CA LYS A 6 7.086 2.636 -18.219 1.00 41.00 C ATOM 99 C LYS A 6 7.779 3.527 -19.245 1.00 52.11 C ATOM 100 O LYS A 6 7.475 4.715 -19.357 1.00 4.50 O ATOM 101 CB LYS A 6 5.832 2.012 -18.834 1.00 74.32 C ATOM 102 CG LYS A 6 4.834 1.511 -17.804 1.00 54.44 C ATOM 103 CD LYS A 6 3.841 0.538 -18.417 1.00 73.01 C ATOM 104 CE LYS A 6 4.362 -0.890 -18.375 1.00 60.30 C ATOM 105 NZ LYS A 6 4.171 -1.589 -19.676 1.00 60.01 N ATOM 0 H LYS A 6 5.904 3.971 -17.116 1.00 50.55 H new ATOM 0 HA LYS A 6 7.775 1.842 -17.929 1.00 41.00 H new ATOM 0 HB2 LYS A 6 5.344 2.750 -19.471 1.00 74.32 H new ATOM 0 HB3 LYS A 6 6.127 1.182 -19.476 1.00 74.32 H new ATOM 0 HG2 LYS A 6 5.366 1.023 -16.988 1.00 54.44 H new ATOM 0 HG3 LYS A 6 4.298 2.357 -17.374 1.00 54.44 H new ATOM 0 HD2 LYS A 6 2.894 0.597 -17.881 1.00 73.01 H new ATOM 0 HD3 LYS A 6 3.641 0.823 -19.450 1.00 73.01 H new ATOM 0 HE2 LYS A 6 5.421 -0.883 -18.119 1.00 60.30 H new ATOM 0 HE3 LYS A 6 3.848 -1.441 -17.588 1.00 60.30 H new ATOM 0 HZ1 LYS A 6 4.539 -2.559 -19.606 1.00 60.01 H new ATOM 0 HZ2 LYS A 6 3.158 -1.619 -19.909 1.00 60.01 H new ATOM 0 HZ3 LYS A 6 4.683 -1.078 -20.423 1.00 60.01 H new ATOM 119 N THR A 7 8.711 2.946 -19.994 1.00 75.34 N ATOM 120 CA THR A 7 9.446 3.687 -21.011 1.00 72.34 C ATOM 121 C THR A 7 9.032 3.255 -22.413 1.00 72.54 C ATOM 122 O THR A 7 8.268 2.302 -22.581 1.00 4.43 O ATOM 123 CB THR A 7 10.966 3.496 -20.856 1.00 4.42 C ATOM 124 OG1 THR A 7 11.254 2.851 -19.610 1.00 44.23 O ATOM 125 CG2 THR A 7 11.688 4.834 -20.919 1.00 24.12 C ATOM 0 H THR A 7 8.975 1.964 -19.915 1.00 75.34 H new ATOM 0 HA THR A 7 9.203 4.740 -20.872 1.00 72.34 H new ATOM 0 HB THR A 7 11.318 2.872 -21.677 1.00 4.42 H new ATOM 0 HG1 THR A 7 10.968 1.915 -19.653 1.00 44.23 H new ATOM 0 HG21 THR A 7 12.760 4.674 -20.807 1.00 24.12 H new ATOM 0 HG22 THR A 7 11.490 5.309 -21.880 1.00 24.12 H new ATOM 0 HG23 THR A 7 11.331 5.478 -20.115 1.00 24.12 H new ATOM 133 N LEU A 8 9.540 3.959 -23.419 1.00 30.14 N ATOM 134 CA LEU A 8 9.223 3.647 -24.808 1.00 44.21 C ATOM 135 C LEU A 8 10.101 2.512 -25.325 1.00 42.02 C ATOM 136 O LEU A 8 9.989 2.102 -26.481 1.00 41.42 O ATOM 137 CB LEU A 8 9.406 4.888 -25.684 1.00 30.10 C ATOM 138 CG LEU A 8 8.716 4.854 -27.048 1.00 13.10 C ATOM 139 CD1 LEU A 8 7.809 6.063 -27.217 1.00 52.14 C ATOM 140 CD2 LEU A 8 9.746 4.797 -28.166 1.00 44.41 C ATOM 0 H LEU A 8 10.173 4.750 -23.298 1.00 30.14 H new ATOM 0 HA LEU A 8 8.182 3.327 -24.855 1.00 44.21 H new ATOM 0 HB2 LEU A 8 9.037 5.754 -25.134 1.00 30.10 H new ATOM 0 HB3 LEU A 8 10.473 5.042 -25.843 1.00 30.10 H new ATOM 0 HG LEU A 8 8.102 3.955 -27.101 1.00 13.10 H new ATOM 0 HD11 LEU A 8 7.326 6.022 -28.193 1.00 52.14 H new ATOM 0 HD12 LEU A 8 7.049 6.059 -26.436 1.00 52.14 H new ATOM 0 HD13 LEU A 8 8.401 6.975 -27.143 1.00 52.14 H new ATOM 0 HD21 LEU A 8 9.236 4.773 -29.129 1.00 44.41 H new ATOM 0 HD22 LEU A 8 10.387 5.677 -28.116 1.00 44.41 H new ATOM 0 HD23 LEU A 8 10.354 3.899 -28.055 1.00 44.41 H new ATOM 152 N THR A 9 10.975 2.005 -24.461 1.00 13.24 N ATOM 153 CA THR A 9 11.871 0.917 -24.829 1.00 20.30 C ATOM 154 C THR A 9 11.428 -0.398 -24.197 1.00 3.01 C ATOM 155 O THR A 9 12.149 -1.394 -24.243 1.00 71.03 O ATOM 156 CB THR A 9 13.321 1.215 -24.404 1.00 23.21 C ATOM 157 OG1 THR A 9 13.329 2.060 -23.248 1.00 40.32 O ATOM 158 CG2 THR A 9 14.090 1.884 -25.533 1.00 55.24 C ATOM 0 H THR A 9 11.081 2.331 -23.500 1.00 13.24 H new ATOM 0 HA THR A 9 11.830 0.827 -25.915 1.00 20.30 H new ATOM 0 HB THR A 9 13.808 0.269 -24.166 1.00 23.21 H new ATOM 0 HG1 THR A 9 14.255 2.243 -22.983 1.00 40.32 H new ATOM 0 HG21 THR A 9 15.111 2.085 -25.209 1.00 55.24 H new ATOM 0 HG22 THR A 9 14.108 1.225 -26.401 1.00 55.24 H new ATOM 0 HG23 THR A 9 13.603 2.822 -25.799 1.00 55.24 H new ATOM 166 N GLY A 10 10.237 -0.394 -23.606 1.00 50.04 N ATOM 167 CA GLY A 10 9.719 -1.593 -22.974 1.00 14.22 C ATOM 168 C GLY A 10 10.344 -1.849 -21.617 1.00 12.01 C ATOM 169 O GLY A 10 10.222 -2.943 -21.065 1.00 14.43 O ATOM 0 H GLY A 10 9.622 0.418 -23.554 1.00 50.04 H new ATOM 0 HA2 GLY A 10 8.639 -1.503 -22.862 1.00 14.22 H new ATOM 0 HA3 GLY A 10 9.902 -2.450 -23.622 1.00 14.22 H new ATOM 173 N LYS A 11 11.018 -0.839 -21.078 1.00 13.25 N ATOM 174 CA LYS A 11 11.666 -0.959 -19.777 1.00 13.51 C ATOM 175 C LYS A 11 10.760 -0.434 -18.667 1.00 71.04 C ATOM 176 O LYS A 11 10.161 0.635 -18.793 1.00 70.31 O ATOM 177 CB LYS A 11 12.991 -0.193 -19.772 1.00 61.51 C ATOM 178 CG LYS A 11 14.214 -1.095 -19.786 1.00 14.31 C ATOM 179 CD LYS A 11 14.261 -1.951 -21.040 1.00 43.35 C ATOM 180 CE LYS A 11 15.549 -2.757 -21.116 1.00 75.33 C ATOM 181 NZ LYS A 11 15.416 -3.929 -22.025 1.00 71.42 N ATOM 0 H LYS A 11 11.130 0.072 -21.522 1.00 13.25 H new ATOM 0 HA LYS A 11 11.862 -2.015 -19.593 1.00 13.51 H new ATOM 0 HB2 LYS A 11 13.025 0.464 -20.641 1.00 61.51 H new ATOM 0 HB3 LYS A 11 13.030 0.444 -18.888 1.00 61.51 H new ATOM 0 HG2 LYS A 11 15.116 -0.487 -19.726 1.00 14.31 H new ATOM 0 HG3 LYS A 11 14.203 -1.738 -18.906 1.00 14.31 H new ATOM 0 HD2 LYS A 11 13.406 -2.627 -21.053 1.00 43.35 H new ATOM 0 HD3 LYS A 11 14.177 -1.314 -21.920 1.00 43.35 H new ATOM 0 HE2 LYS A 11 16.359 -2.116 -21.465 1.00 75.33 H new ATOM 0 HE3 LYS A 11 15.822 -3.100 -20.118 1.00 75.33 H new ATOM 0 HZ1 LYS A 11 16.314 -4.453 -22.050 1.00 71.42 H new ATOM 0 HZ2 LYS A 11 14.661 -4.554 -21.678 1.00 71.42 H new ATOM 0 HZ3 LYS A 11 15.180 -3.600 -22.983 1.00 71.42 H new ATOM 195 N THR A 12 10.664 -1.192 -17.579 1.00 65.13 N ATOM 196 CA THR A 12 9.832 -0.804 -16.448 1.00 3.43 C ATOM 197 C THR A 12 10.685 -0.419 -15.244 1.00 63.22 C ATOM 198 O THR A 12 11.517 -1.203 -14.785 1.00 74.12 O ATOM 199 CB THR A 12 8.872 -1.937 -16.041 1.00 22.41 C ATOM 200 OG1 THR A 12 9.588 -3.173 -15.941 1.00 23.33 O ATOM 201 CG2 THR A 12 7.744 -2.080 -17.051 1.00 50.43 C ATOM 0 H THR A 12 11.153 -2.079 -17.458 1.00 65.13 H new ATOM 0 HA THR A 12 9.248 0.059 -16.767 1.00 3.43 H new ATOM 0 HB THR A 12 8.441 -1.687 -15.072 1.00 22.41 H new ATOM 0 HG1 THR A 12 10.461 -3.013 -15.525 1.00 23.33 H new ATOM 0 HG21 THR A 12 7.079 -2.886 -16.742 1.00 50.43 H new ATOM 0 HG22 THR A 12 7.183 -1.147 -17.104 1.00 50.43 H new ATOM 0 HG23 THR A 12 8.161 -2.309 -18.032 1.00 50.43 H new ATOM 209 N ILE A 13 10.474 0.791 -14.737 1.00 70.33 N ATOM 210 CA ILE A 13 11.223 1.278 -13.586 1.00 22.53 C ATOM 211 C ILE A 13 10.295 1.582 -12.415 1.00 20.23 C ATOM 212 O ILE A 13 9.197 2.107 -12.598 1.00 55.32 O ATOM 213 CB ILE A 13 12.027 2.545 -13.932 1.00 30.12 C ATOM 214 CG1 ILE A 13 12.692 2.395 -15.302 1.00 15.41 C ATOM 215 CG2 ILE A 13 13.070 2.820 -12.859 1.00 15.44 C ATOM 216 CD1 ILE A 13 13.555 1.160 -15.423 1.00 25.32 C ATOM 0 H ILE A 13 9.790 1.452 -15.106 1.00 70.33 H new ATOM 0 HA ILE A 13 11.915 0.485 -13.302 1.00 22.53 H new ATOM 0 HB ILE A 13 11.342 3.392 -13.972 1.00 30.12 H new ATOM 0 HG12 ILE A 13 11.919 2.365 -16.070 1.00 15.41 H new ATOM 0 HG13 ILE A 13 13.303 3.276 -15.499 1.00 15.41 H new ATOM 0 HG21 ILE A 13 13.630 3.719 -13.118 1.00 15.44 H new ATOM 0 HG22 ILE A 13 12.575 2.965 -11.899 1.00 15.44 H new ATOM 0 HG23 ILE A 13 13.753 1.974 -12.791 1.00 15.44 H new ATOM 0 HD11 ILE A 13 13.994 1.119 -16.420 1.00 25.32 H new ATOM 0 HD12 ILE A 13 14.350 1.197 -14.678 1.00 25.32 H new ATOM 0 HD13 ILE A 13 12.945 0.272 -15.259 1.00 25.32 H new ATOM 228 N THR A 14 10.745 1.249 -11.208 1.00 55.44 N ATOM 229 CA THR A 14 9.955 1.487 -10.006 1.00 43.25 C ATOM 230 C THR A 14 10.604 2.546 -9.123 1.00 45.41 C ATOM 231 O THR A 14 11.825 2.571 -8.961 1.00 23.04 O ATOM 232 CB THR A 14 9.773 0.194 -9.189 1.00 4.40 C ATOM 233 OG1 THR A 14 8.852 0.419 -8.116 1.00 75.45 O ATOM 234 CG2 THR A 14 11.105 -0.283 -8.629 1.00 34.43 C ATOM 0 H THR A 14 11.652 0.814 -11.038 1.00 55.44 H new ATOM 0 HA THR A 14 8.978 1.841 -10.334 1.00 43.25 H new ATOM 0 HB THR A 14 9.378 -0.576 -9.851 1.00 4.40 H new ATOM 0 HG1 THR A 14 8.206 1.107 -8.379 1.00 75.45 H new ATOM 0 HG21 THR A 14 10.952 -1.197 -8.056 1.00 34.43 H new ATOM 0 HG22 THR A 14 11.795 -0.480 -9.449 1.00 34.43 H new ATOM 0 HG23 THR A 14 11.523 0.486 -7.980 1.00 34.43 H new ATOM 242 N LEU A 15 9.782 3.420 -8.554 1.00 12.15 N ATOM 243 CA LEU A 15 10.276 4.483 -7.685 1.00 23.21 C ATOM 244 C LEU A 15 9.341 4.696 -6.499 1.00 24.23 C ATOM 245 O LEU A 15 8.232 4.165 -6.468 1.00 54.35 O ATOM 246 CB LEU A 15 10.424 5.785 -8.473 1.00 53.51 C ATOM 247 CG LEU A 15 11.764 6.507 -8.332 1.00 44.13 C ATOM 248 CD1 LEU A 15 12.735 6.046 -9.409 1.00 34.23 C ATOM 249 CD2 LEU A 15 11.568 8.015 -8.399 1.00 62.31 C ATOM 0 H LEU A 15 8.770 3.414 -8.679 1.00 12.15 H new ATOM 0 HA LEU A 15 11.252 4.183 -7.304 1.00 23.21 H new ATOM 0 HB2 LEU A 15 10.261 5.568 -9.529 1.00 53.51 H new ATOM 0 HB3 LEU A 15 9.632 6.467 -8.162 1.00 53.51 H new ATOM 0 HG LEU A 15 12.187 6.259 -7.359 1.00 44.13 H new ATOM 0 HD11 LEU A 15 13.683 6.571 -9.293 1.00 34.23 H new ATOM 0 HD12 LEU A 15 12.900 4.973 -9.315 1.00 34.23 H new ATOM 0 HD13 LEU A 15 12.318 6.264 -10.392 1.00 34.23 H new ATOM 0 HD21 LEU A 15 12.533 8.512 -8.297 1.00 62.31 H new ATOM 0 HD22 LEU A 15 11.122 8.282 -9.357 1.00 62.31 H new ATOM 0 HD23 LEU A 15 10.909 8.332 -7.591 1.00 62.31 H new ATOM 261 N GLU A 16 9.798 5.477 -5.525 1.00 12.31 N ATOM 262 CA GLU A 16 9.001 5.761 -4.337 1.00 53.13 C ATOM 263 C GLU A 16 8.772 7.262 -4.181 1.00 64.12 C ATOM 264 O GLU A 16 9.703 8.059 -4.304 1.00 33.22 O ATOM 265 CB GLU A 16 9.690 5.206 -3.089 1.00 11.42 C ATOM 266 CG GLU A 16 9.846 3.695 -3.101 1.00 4.13 C ATOM 267 CD GLU A 16 11.291 3.259 -3.252 1.00 51.44 C ATOM 268 OE1 GLU A 16 12.162 3.843 -2.574 1.00 54.10 O ATOM 269 OE2 GLU A 16 11.550 2.334 -4.050 1.00 61.10 O ATOM 0 H GLU A 16 10.715 5.924 -5.535 1.00 12.31 H new ATOM 0 HA GLU A 16 8.033 5.274 -4.455 1.00 53.13 H new ATOM 0 HB2 GLU A 16 10.675 5.664 -2.994 1.00 11.42 H new ATOM 0 HB3 GLU A 16 9.117 5.497 -2.208 1.00 11.42 H new ATOM 0 HG2 GLU A 16 9.441 3.284 -2.176 1.00 4.13 H new ATOM 0 HG3 GLU A 16 9.258 3.279 -3.919 1.00 4.13 H new ATOM 276 N VAL A 17 7.527 7.640 -3.910 1.00 42.14 N ATOM 277 CA VAL A 17 7.175 9.044 -3.737 1.00 3.31 C ATOM 278 C VAL A 17 5.993 9.201 -2.787 1.00 40.32 C ATOM 279 O VAL A 17 5.468 8.218 -2.267 1.00 22.43 O ATOM 280 CB VAL A 17 6.829 9.707 -5.084 1.00 24.24 C ATOM 281 CG1 VAL A 17 8.084 9.900 -5.922 1.00 31.22 C ATOM 282 CG2 VAL A 17 5.798 8.878 -5.835 1.00 43.32 C ATOM 0 H VAL A 17 6.745 6.993 -3.806 1.00 42.14 H new ATOM 0 HA VAL A 17 8.048 9.539 -3.311 1.00 3.31 H new ATOM 0 HB VAL A 17 6.399 10.689 -4.887 1.00 24.24 H new ATOM 0 HG11 VAL A 17 7.820 10.369 -6.870 1.00 31.22 H new ATOM 0 HG12 VAL A 17 8.786 10.537 -5.384 1.00 31.22 H new ATOM 0 HG13 VAL A 17 8.546 8.932 -6.113 1.00 31.22 H new ATOM 0 HG21 VAL A 17 5.565 9.360 -6.784 1.00 43.32 H new ATOM 0 HG22 VAL A 17 6.199 7.882 -6.023 1.00 43.32 H new ATOM 0 HG23 VAL A 17 4.891 8.797 -5.237 1.00 43.32 H new ATOM 292 N GLU A 18 5.579 10.445 -2.567 1.00 10.21 N ATOM 293 CA GLU A 18 4.458 10.731 -1.679 1.00 22.52 C ATOM 294 C GLU A 18 3.391 11.552 -2.396 1.00 72.23 C ATOM 295 O GLU A 18 3.623 12.122 -3.463 1.00 33.43 O ATOM 296 CB GLU A 18 4.942 11.478 -0.435 1.00 2.53 C ATOM 297 CG GLU A 18 5.128 10.584 0.779 1.00 22.13 C ATOM 298 CD GLU A 18 6.440 9.825 0.749 1.00 63.51 C ATOM 299 OE1 GLU A 18 7.408 10.334 0.146 1.00 13.30 O ATOM 300 OE2 GLU A 18 6.499 8.720 1.329 1.00 63.13 O ATOM 0 H GLU A 18 6.003 11.270 -2.991 1.00 10.21 H new ATOM 0 HA GLU A 18 4.017 9.782 -1.375 1.00 22.52 H new ATOM 0 HB2 GLU A 18 5.888 11.969 -0.662 1.00 2.53 H new ATOM 0 HB3 GLU A 18 4.226 12.263 -0.191 1.00 2.53 H new ATOM 0 HG2 GLU A 18 5.085 11.192 1.683 1.00 22.13 H new ATOM 0 HG3 GLU A 18 4.303 9.874 0.832 1.00 22.13 H new ATOM 307 N PRO A 19 2.192 11.614 -1.798 1.00 53.15 N ATOM 308 CA PRO A 19 1.064 12.362 -2.362 1.00 42.40 C ATOM 309 C PRO A 19 1.282 13.870 -2.302 1.00 55.54 C ATOM 310 O PRO A 19 0.800 14.611 -3.160 1.00 23.10 O ATOM 311 CB PRO A 19 -0.112 11.956 -1.471 1.00 31.02 C ATOM 312 CG PRO A 19 0.512 11.562 -0.177 1.00 33.43 C ATOM 313 CD PRO A 19 1.845 10.959 -0.526 1.00 15.40 C ATOM 0 HA PRO A 19 0.913 12.138 -3.418 1.00 42.40 H new ATOM 0 HB2 PRO A 19 -0.812 12.781 -1.338 1.00 31.02 H new ATOM 0 HB3 PRO A 19 -0.673 11.130 -1.908 1.00 31.02 H new ATOM 0 HG2 PRO A 19 0.634 12.426 0.476 1.00 33.43 H new ATOM 0 HG3 PRO A 19 -0.113 10.845 0.355 1.00 33.43 H new ATOM 0 HD2 PRO A 19 2.590 11.157 0.245 1.00 15.40 H new ATOM 0 HD3 PRO A 19 1.780 9.876 -0.636 1.00 15.40 H new ATOM 321 N SER A 20 2.010 14.319 -1.285 1.00 15.12 N ATOM 322 CA SER A 20 2.288 15.740 -1.112 1.00 33.03 C ATOM 323 C SER A 20 3.489 16.164 -1.951 1.00 4.45 C ATOM 324 O SER A 20 3.898 17.325 -1.927 1.00 0.52 O ATOM 325 CB SER A 20 2.544 16.055 0.363 1.00 1.22 C ATOM 326 OG SER A 20 1.653 17.052 0.834 1.00 23.41 O ATOM 0 H SER A 20 2.418 13.719 -0.568 1.00 15.12 H new ATOM 0 HA SER A 20 1.416 16.300 -1.449 1.00 33.03 H new ATOM 0 HB2 SER A 20 2.427 15.149 0.957 1.00 1.22 H new ATOM 0 HB3 SER A 20 3.573 16.391 0.493 1.00 1.22 H new ATOM 0 HG SER A 20 1.836 17.234 1.779 1.00 23.41 H new ATOM 332 N ASP A 21 4.051 15.215 -2.691 1.00 32.01 N ATOM 333 CA ASP A 21 5.205 15.489 -3.539 1.00 1.01 C ATOM 334 C ASP A 21 4.771 16.099 -4.868 1.00 14.22 C ATOM 335 O ASP A 21 3.695 15.792 -5.383 1.00 13.44 O ATOM 336 CB ASP A 21 5.998 14.205 -3.788 1.00 40.11 C ATOM 337 CG ASP A 21 7.421 14.294 -3.273 1.00 42.43 C ATOM 338 OD1 ASP A 21 7.608 14.739 -2.122 1.00 4.51 O ATOM 339 OD2 ASP A 21 8.348 13.920 -4.022 1.00 60.03 O ATOM 0 H ASP A 21 3.726 14.249 -2.721 1.00 32.01 H new ATOM 0 HA ASP A 21 5.842 16.206 -3.022 1.00 1.01 H new ATOM 0 HB2 ASP A 21 5.492 13.369 -3.305 1.00 40.11 H new ATOM 0 HB3 ASP A 21 6.014 13.993 -4.857 1.00 40.11 H new ATOM 344 N THR A 22 5.614 16.967 -5.419 1.00 20.40 N ATOM 345 CA THR A 22 5.317 17.622 -6.686 1.00 73.24 C ATOM 346 C THR A 22 6.111 16.997 -7.828 1.00 3.43 C ATOM 347 O THR A 22 7.166 16.401 -7.608 1.00 71.24 O ATOM 348 CB THR A 22 5.626 19.130 -6.625 1.00 72.45 C ATOM 349 OG1 THR A 22 7.002 19.334 -6.288 1.00 2.24 O ATOM 350 CG2 THR A 22 4.739 19.823 -5.602 1.00 72.15 C ATOM 0 H THR A 22 6.508 17.232 -5.007 1.00 20.40 H new ATOM 0 HA THR A 22 4.252 17.484 -6.871 1.00 73.24 H new ATOM 0 HB THR A 22 5.425 19.560 -7.606 1.00 72.45 H new ATOM 0 HG1 THR A 22 7.155 20.283 -6.096 1.00 2.24 H new ATOM 0 HG21 THR A 22 4.975 20.887 -5.577 1.00 72.15 H new ATOM 0 HG22 THR A 22 3.693 19.690 -5.878 1.00 72.15 H new ATOM 0 HG23 THR A 22 4.912 19.389 -4.617 1.00 72.15 H new ATOM 358 N ILE A 23 5.599 17.139 -9.046 1.00 3.24 N ATOM 359 CA ILE A 23 6.263 16.590 -10.221 1.00 41.14 C ATOM 360 C ILE A 23 7.643 17.211 -10.414 1.00 34.31 C ATOM 361 O ILE A 23 8.588 16.532 -10.813 1.00 44.43 O ATOM 362 CB ILE A 23 5.429 16.816 -11.496 1.00 35.01 C ATOM 363 CG1 ILE A 23 6.123 16.186 -12.705 1.00 2.10 C ATOM 364 CG2 ILE A 23 5.202 18.303 -11.724 1.00 13.02 C ATOM 365 CD1 ILE A 23 6.230 14.679 -12.623 1.00 51.45 C ATOM 0 H ILE A 23 4.727 17.629 -9.244 1.00 3.24 H new ATOM 0 HA ILE A 23 6.370 15.519 -10.051 1.00 41.14 H new ATOM 0 HB ILE A 23 4.459 16.336 -11.367 1.00 35.01 H new ATOM 0 HG12 ILE A 23 5.576 16.455 -13.609 1.00 2.10 H new ATOM 0 HG13 ILE A 23 7.123 16.609 -12.801 1.00 2.10 H new ATOM 0 HG21 ILE A 23 4.611 18.446 -12.629 1.00 13.02 H new ATOM 0 HG22 ILE A 23 4.669 18.725 -10.872 1.00 13.02 H new ATOM 0 HG23 ILE A 23 6.163 18.805 -11.835 1.00 13.02 H new ATOM 0 HD11 ILE A 23 6.732 14.301 -13.513 1.00 51.45 H new ATOM 0 HD12 ILE A 23 6.803 14.403 -11.738 1.00 51.45 H new ATOM 0 HD13 ILE A 23 5.232 14.246 -12.559 1.00 51.45 H new ATOM 377 N GLU A 24 7.749 18.504 -10.125 1.00 63.02 N ATOM 378 CA GLU A 24 9.014 19.216 -10.266 1.00 63.40 C ATOM 379 C GLU A 24 10.061 18.660 -9.304 1.00 51.14 C ATOM 380 O GLU A 24 11.258 18.695 -9.586 1.00 0.44 O ATOM 381 CB GLU A 24 8.815 20.711 -10.012 1.00 13.14 C ATOM 382 CG GLU A 24 8.634 21.060 -8.544 1.00 5.12 C ATOM 383 CD GLU A 24 9.919 21.539 -7.896 1.00 22.21 C ATOM 384 OE1 GLU A 24 11.005 21.224 -8.426 1.00 71.22 O ATOM 385 OE2 GLU A 24 9.838 22.229 -6.858 1.00 62.02 O ATOM 0 H GLU A 24 6.975 19.079 -9.792 1.00 63.02 H new ATOM 0 HA GLU A 24 9.370 19.073 -11.286 1.00 63.40 H new ATOM 0 HB2 GLU A 24 9.675 21.255 -10.403 1.00 13.14 H new ATOM 0 HB3 GLU A 24 7.942 21.052 -10.568 1.00 13.14 H new ATOM 0 HG2 GLU A 24 7.873 21.835 -8.450 1.00 5.12 H new ATOM 0 HG3 GLU A 24 8.266 20.185 -8.009 1.00 5.12 H new ATOM 392 N ASN A 25 9.599 18.148 -8.168 1.00 44.11 N ATOM 393 CA ASN A 25 10.495 17.586 -7.164 1.00 0.04 C ATOM 394 C ASN A 25 11.021 16.224 -7.605 1.00 61.31 C ATOM 395 O ASN A 25 12.082 15.783 -7.163 1.00 61.22 O ATOM 396 CB ASN A 25 9.772 17.456 -5.821 1.00 61.55 C ATOM 397 CG ASN A 25 10.608 17.964 -4.663 1.00 11.12 C ATOM 398 OD1 ASN A 25 11.304 17.195 -4.000 1.00 34.41 O ATOM 399 ND2 ASN A 25 10.543 19.267 -4.413 1.00 73.24 N ATOM 0 H ASN A 25 8.610 18.111 -7.920 1.00 44.11 H new ATOM 0 HA ASN A 25 11.342 18.263 -7.050 1.00 0.04 H new ATOM 0 HB2 ASN A 25 8.835 18.012 -5.861 1.00 61.55 H new ATOM 0 HB3 ASN A 25 9.515 16.411 -5.649 1.00 61.55 H new ATOM 0 HD21 ASN A 25 11.083 19.667 -3.646 1.00 73.24 H new ATOM 0 HD22 ASN A 25 9.953 19.868 -4.988 1.00 73.24 H new ATOM 406 N VAL A 26 10.272 15.561 -8.481 1.00 15.33 N ATOM 407 CA VAL A 26 10.662 14.250 -8.984 1.00 24.11 C ATOM 408 C VAL A 26 11.762 14.369 -10.033 1.00 1.21 C ATOM 409 O VAL A 26 12.726 13.603 -10.029 1.00 33.14 O ATOM 410 CB VAL A 26 9.462 13.503 -9.596 1.00 44.45 C ATOM 411 CG1 VAL A 26 9.915 12.200 -10.237 1.00 73.00 C ATOM 412 CG2 VAL A 26 8.399 13.247 -8.539 1.00 61.43 C ATOM 0 H VAL A 26 9.391 15.911 -8.857 1.00 15.33 H new ATOM 0 HA VAL A 26 11.036 13.683 -8.132 1.00 24.11 H new ATOM 0 HB VAL A 26 9.024 14.129 -10.374 1.00 44.45 H new ATOM 0 HG11 VAL A 26 9.054 11.686 -10.664 1.00 73.00 H new ATOM 0 HG12 VAL A 26 10.637 12.414 -11.025 1.00 73.00 H new ATOM 0 HG13 VAL A 26 10.379 11.565 -9.482 1.00 73.00 H new ATOM 0 HG21 VAL A 26 7.559 12.718 -8.989 1.00 61.43 H new ATOM 0 HG22 VAL A 26 8.821 12.641 -7.737 1.00 61.43 H new ATOM 0 HG23 VAL A 26 8.054 14.198 -8.132 1.00 61.43 H new ATOM 422 N LYS A 27 11.612 15.336 -10.932 1.00 2.12 N ATOM 423 CA LYS A 27 12.593 15.559 -11.988 1.00 31.35 C ATOM 424 C LYS A 27 13.885 16.136 -11.417 1.00 73.33 C ATOM 425 O LYS A 27 14.978 15.809 -11.878 1.00 51.33 O ATOM 426 CB LYS A 27 12.025 16.504 -13.049 1.00 33.41 C ATOM 427 CG LYS A 27 12.069 17.968 -12.647 1.00 25.54 C ATOM 428 CD LYS A 27 11.460 18.859 -13.716 1.00 32.52 C ATOM 429 CE LYS A 27 11.990 20.281 -13.625 1.00 2.22 C ATOM 430 NZ LYS A 27 10.889 21.283 -13.594 1.00 33.12 N ATOM 0 H LYS A 27 10.820 15.978 -10.950 1.00 2.12 H new ATOM 0 HA LYS A 27 12.818 14.598 -12.450 1.00 31.35 H new ATOM 0 HB2 LYS A 27 12.584 16.374 -13.976 1.00 33.41 H new ATOM 0 HB3 LYS A 27 10.992 16.224 -13.257 1.00 33.41 H new ATOM 0 HG2 LYS A 27 11.531 18.105 -11.709 1.00 25.54 H new ATOM 0 HG3 LYS A 27 13.102 18.266 -12.469 1.00 25.54 H new ATOM 0 HD2 LYS A 27 11.681 18.450 -14.702 1.00 32.52 H new ATOM 0 HD3 LYS A 27 10.375 18.867 -13.610 1.00 32.52 H new ATOM 0 HE2 LYS A 27 12.600 20.384 -12.728 1.00 2.22 H new ATOM 0 HE3 LYS A 27 12.640 20.482 -14.477 1.00 2.22 H new ATOM 0 HZ1 LYS A 27 11.292 22.240 -13.532 1.00 33.12 H new ATOM 0 HZ2 LYS A 27 10.321 21.202 -14.462 1.00 33.12 H new ATOM 0 HZ3 LYS A 27 10.283 21.108 -12.767 1.00 33.12 H new ATOM 444 N ALA A 28 13.751 16.994 -10.411 1.00 73.32 N ATOM 445 CA ALA A 28 14.907 17.613 -9.776 1.00 63.11 C ATOM 446 C ALA A 28 15.858 16.559 -9.220 1.00 21.53 C ATOM 447 O ALA A 28 17.076 16.739 -9.228 1.00 11.23 O ATOM 448 CB ALA A 28 14.460 18.558 -8.671 1.00 53.43 C ATOM 0 H ALA A 28 12.853 17.276 -10.018 1.00 73.32 H new ATOM 0 HA ALA A 28 15.443 18.185 -10.533 1.00 63.11 H new ATOM 0 HB1 ALA A 28 15.334 19.013 -8.206 1.00 53.43 H new ATOM 0 HB2 ALA A 28 13.826 19.338 -9.093 1.00 53.43 H new ATOM 0 HB3 ALA A 28 13.898 18.001 -7.921 1.00 53.43 H new ATOM 454 N LYS A 29 15.295 15.457 -8.736 1.00 35.21 N ATOM 455 CA LYS A 29 16.091 14.372 -8.175 1.00 44.12 C ATOM 456 C LYS A 29 16.899 13.672 -9.263 1.00 64.02 C ATOM 457 O LYS A 29 18.001 13.182 -9.013 1.00 31.14 O ATOM 458 CB LYS A 29 15.187 13.361 -7.466 1.00 42.14 C ATOM 459 CG LYS A 29 15.950 12.304 -6.688 1.00 24.24 C ATOM 460 CD LYS A 29 15.014 11.264 -6.094 1.00 45.30 C ATOM 461 CE LYS A 29 14.821 10.086 -7.036 1.00 23.31 C ATOM 462 NZ LYS A 29 15.637 8.909 -6.627 1.00 3.23 N ATOM 0 H LYS A 29 14.289 15.292 -8.721 1.00 35.21 H new ATOM 0 HA LYS A 29 16.784 14.800 -7.451 1.00 44.12 H new ATOM 0 HB2 LYS A 29 14.524 13.894 -6.784 1.00 42.14 H new ATOM 0 HB3 LYS A 29 14.555 12.870 -8.206 1.00 42.14 H new ATOM 0 HG2 LYS A 29 16.668 11.815 -7.346 1.00 24.24 H new ATOM 0 HG3 LYS A 29 16.521 12.779 -5.890 1.00 24.24 H new ATOM 0 HD2 LYS A 29 15.417 10.910 -5.145 1.00 45.30 H new ATOM 0 HD3 LYS A 29 14.048 11.722 -5.880 1.00 45.30 H new ATOM 0 HE2 LYS A 29 13.767 9.807 -7.058 1.00 23.31 H new ATOM 0 HE3 LYS A 29 15.094 10.383 -8.049 1.00 23.31 H new ATOM 0 HZ1 LYS A 29 15.478 8.127 -7.294 1.00 3.23 H new ATOM 0 HZ2 LYS A 29 16.644 9.167 -6.630 1.00 3.23 H new ATOM 0 HZ3 LYS A 29 15.360 8.610 -5.670 1.00 3.23 H new ATOM 476 N ILE A 30 16.346 13.630 -10.470 1.00 40.24 N ATOM 477 CA ILE A 30 17.017 12.992 -11.596 1.00 42.42 C ATOM 478 C ILE A 30 18.279 13.754 -11.987 1.00 24.33 C ATOM 479 O ILE A 30 19.300 13.152 -12.322 1.00 15.24 O ATOM 480 CB ILE A 30 16.090 12.895 -12.822 1.00 63.52 C ATOM 481 CG1 ILE A 30 14.721 12.349 -12.411 1.00 51.44 C ATOM 482 CG2 ILE A 30 16.718 12.013 -13.892 1.00 0.32 C ATOM 483 CD1 ILE A 30 14.791 11.021 -11.691 1.00 74.03 C ATOM 0 H ILE A 30 15.435 14.030 -10.694 1.00 40.24 H new ATOM 0 HA ILE A 30 17.287 11.986 -11.274 1.00 42.42 H new ATOM 0 HB ILE A 30 15.953 13.894 -13.236 1.00 63.52 H new ATOM 0 HG12 ILE A 30 14.227 13.077 -11.767 1.00 51.44 H new ATOM 0 HG13 ILE A 30 14.101 12.238 -13.301 1.00 51.44 H new ATOM 0 HG21 ILE A 30 16.051 11.954 -14.752 1.00 0.32 H new ATOM 0 HG22 ILE A 30 17.672 12.440 -14.201 1.00 0.32 H new ATOM 0 HG23 ILE A 30 16.881 11.013 -13.490 1.00 0.32 H new ATOM 0 HD11 ILE A 30 13.784 10.695 -11.430 1.00 74.03 H new ATOM 0 HD12 ILE A 30 15.256 10.279 -12.340 1.00 74.03 H new ATOM 0 HD13 ILE A 30 15.384 11.130 -10.783 1.00 74.03 H new ATOM 495 N GLN A 31 18.203 15.080 -11.939 1.00 74.35 N ATOM 496 CA GLN A 31 19.340 15.923 -12.287 1.00 51.24 C ATOM 497 C GLN A 31 20.474 15.749 -11.283 1.00 64.12 C ATOM 498 O GLN A 31 21.649 15.874 -11.631 1.00 31.33 O ATOM 499 CB GLN A 31 18.914 17.391 -12.344 1.00 45.44 C ATOM 500 CG GLN A 31 18.676 17.901 -13.757 1.00 3.45 C ATOM 501 CD GLN A 31 19.213 19.303 -13.969 1.00 42.10 C ATOM 502 OE1 GLN A 31 19.541 20.006 -13.013 1.00 1.41 O ATOM 503 NE2 GLN A 31 19.306 19.717 -15.227 1.00 42.33 N ATOM 0 H GLN A 31 17.366 15.593 -11.663 1.00 74.35 H new ATOM 0 HA GLN A 31 19.700 15.618 -13.270 1.00 51.24 H new ATOM 0 HB2 GLN A 31 18.001 17.519 -11.762 1.00 45.44 H new ATOM 0 HB3 GLN A 31 19.682 18.002 -11.870 1.00 45.44 H new ATOM 0 HG2 GLN A 31 19.149 17.224 -14.468 1.00 3.45 H new ATOM 0 HG3 GLN A 31 17.607 17.890 -13.968 1.00 3.45 H new ATOM 0 HE21 GLN A 31 19.023 19.101 -15.989 1.00 42.33 H new ATOM 0 HE22 GLN A 31 19.661 20.651 -15.432 1.00 42.33 H new ATOM 512 N ASP A 32 20.115 15.460 -10.037 1.00 45.41 N ATOM 513 CA ASP A 32 21.104 15.268 -8.982 1.00 15.42 C ATOM 514 C ASP A 32 21.764 13.898 -9.099 1.00 1.24 C ATOM 515 O ASP A 32 22.748 13.611 -8.416 1.00 74.31 O ATOM 516 CB ASP A 32 20.449 15.417 -7.608 1.00 12.24 C ATOM 517 CG ASP A 32 20.839 16.709 -6.917 1.00 41.33 C ATOM 518 OD1 ASP A 32 22.053 16.947 -6.745 1.00 22.14 O ATOM 519 OD2 ASP A 32 19.931 17.483 -6.550 1.00 53.35 O ATOM 0 H ASP A 32 19.147 15.354 -9.733 1.00 45.41 H new ATOM 0 HA ASP A 32 21.873 16.032 -9.094 1.00 15.42 H new ATOM 0 HB2 ASP A 32 19.365 15.381 -7.720 1.00 12.24 H new ATOM 0 HB3 ASP A 32 20.733 14.573 -6.980 1.00 12.24 H new ATOM 524 N LYS A 33 21.216 13.055 -9.967 1.00 43.24 N ATOM 525 CA LYS A 33 21.751 11.715 -10.175 1.00 23.22 C ATOM 526 C LYS A 33 22.432 11.605 -11.535 1.00 41.24 C ATOM 527 O LYS A 33 23.444 10.921 -11.679 1.00 25.20 O ATOM 528 CB LYS A 33 20.634 10.675 -10.067 1.00 34.03 C ATOM 529 CG LYS A 33 21.117 9.307 -9.618 1.00 62.34 C ATOM 530 CD LYS A 33 19.970 8.315 -9.517 1.00 50.51 C ATOM 531 CE LYS A 33 19.806 7.520 -10.803 1.00 31.52 C ATOM 532 NZ LYS A 33 19.860 6.052 -10.557 1.00 75.32 N ATOM 0 H LYS A 33 20.401 13.276 -10.538 1.00 43.24 H new ATOM 0 HA LYS A 33 22.494 11.524 -9.400 1.00 23.22 H new ATOM 0 HB2 LYS A 33 19.882 11.034 -9.364 1.00 34.03 H new ATOM 0 HB3 LYS A 33 20.145 10.578 -11.036 1.00 34.03 H new ATOM 0 HG2 LYS A 33 21.861 8.934 -10.322 1.00 62.34 H new ATOM 0 HG3 LYS A 33 21.610 9.394 -8.650 1.00 62.34 H new ATOM 0 HD2 LYS A 33 20.150 7.632 -8.686 1.00 50.51 H new ATOM 0 HD3 LYS A 33 19.045 8.848 -9.297 1.00 50.51 H new ATOM 0 HE2 LYS A 33 18.855 7.776 -11.269 1.00 31.52 H new ATOM 0 HE3 LYS A 33 20.591 7.800 -11.506 1.00 31.52 H new ATOM 0 HZ1 LYS A 33 19.744 5.545 -11.457 1.00 75.32 H new ATOM 0 HZ2 LYS A 33 20.778 5.804 -10.135 1.00 75.32 H new ATOM 0 HZ3 LYS A 33 19.095 5.781 -9.906 1.00 75.32 H new ATOM 546 N GLU A 34 21.870 12.285 -12.530 1.00 10.10 N ATOM 547 CA GLU A 34 22.425 12.263 -13.878 1.00 54.44 C ATOM 548 C GLU A 34 22.655 13.681 -14.395 1.00 33.22 C ATOM 549 O GLU A 34 23.616 13.942 -15.117 1.00 72.31 O ATOM 550 CB GLU A 34 21.490 11.509 -14.826 1.00 71.12 C ATOM 551 CG GLU A 34 22.214 10.803 -15.960 1.00 74.14 C ATOM 552 CD GLU A 34 23.220 9.783 -15.465 1.00 4.12 C ATOM 553 OE1 GLU A 34 22.794 8.715 -14.978 1.00 54.32 O ATOM 554 OE2 GLU A 34 24.436 10.053 -15.564 1.00 53.41 O ATOM 0 H GLU A 34 21.032 12.857 -12.428 1.00 10.10 H new ATOM 0 HA GLU A 34 23.385 11.748 -13.840 1.00 54.44 H new ATOM 0 HB2 GLU A 34 20.923 10.774 -14.255 1.00 71.12 H new ATOM 0 HB3 GLU A 34 20.770 12.211 -15.247 1.00 71.12 H new ATOM 0 HG2 GLU A 34 21.484 10.307 -16.599 1.00 74.14 H new ATOM 0 HG3 GLU A 34 22.726 11.543 -16.576 1.00 74.14 H new ATOM 561 N GLY A 35 21.764 14.593 -14.019 1.00 13.52 N ATOM 562 CA GLY A 35 21.886 15.973 -14.453 1.00 70.34 C ATOM 563 C GLY A 35 21.287 16.203 -15.826 1.00 54.35 C ATOM 564 O GLY A 35 21.685 17.126 -16.538 1.00 12.34 O ATOM 0 H GLY A 35 20.960 14.401 -13.422 1.00 13.52 H new ATOM 0 HA2 GLY A 35 21.392 16.623 -13.731 1.00 70.34 H new ATOM 0 HA3 GLY A 35 22.939 16.255 -14.467 1.00 70.34 H new ATOM 568 N ILE A 36 20.329 15.362 -16.201 1.00 14.21 N ATOM 569 CA ILE A 36 19.674 15.479 -17.498 1.00 64.12 C ATOM 570 C ILE A 36 18.723 16.670 -17.529 1.00 11.22 C ATOM 571 O ILE A 36 17.902 16.864 -16.632 1.00 71.10 O ATOM 572 CB ILE A 36 18.890 14.201 -17.850 1.00 64.13 C ATOM 573 CG1 ILE A 36 17.995 13.787 -16.681 1.00 21.04 C ATOM 574 CG2 ILE A 36 19.847 13.076 -18.216 1.00 5.22 C ATOM 575 CD1 ILE A 36 16.601 13.379 -17.102 1.00 13.13 C ATOM 0 H ILE A 36 19.989 14.592 -15.625 1.00 14.21 H new ATOM 0 HA ILE A 36 20.462 15.627 -18.237 1.00 64.12 H new ATOM 0 HB ILE A 36 18.256 14.408 -18.712 1.00 64.13 H new ATOM 0 HG12 ILE A 36 18.463 12.957 -16.152 1.00 21.04 H new ATOM 0 HG13 ILE A 36 17.925 14.616 -15.976 1.00 21.04 H new ATOM 0 HG21 ILE A 36 19.278 12.180 -18.462 1.00 5.22 H new ATOM 0 HG22 ILE A 36 20.446 13.373 -19.077 1.00 5.22 H new ATOM 0 HG23 ILE A 36 20.504 12.868 -17.371 1.00 5.22 H new ATOM 0 HD11 ILE A 36 16.023 13.098 -16.222 1.00 13.13 H new ATOM 0 HD12 ILE A 36 16.114 14.214 -17.605 1.00 13.13 H new ATOM 0 HD13 ILE A 36 16.660 12.530 -17.783 1.00 13.13 H new ATOM 587 N PRO A 37 18.833 17.488 -18.586 1.00 52.12 N ATOM 588 CA PRO A 37 17.989 18.674 -18.761 1.00 35.30 C ATOM 589 C PRO A 37 16.539 18.313 -19.067 1.00 12.02 C ATOM 590 O PRO A 37 16.214 17.799 -20.137 1.00 64.23 O ATOM 591 CB PRO A 37 18.625 19.389 -19.955 1.00 51.31 C ATOM 592 CG PRO A 37 19.317 18.313 -20.717 1.00 60.52 C ATOM 593 CD PRO A 37 19.789 17.318 -19.693 1.00 3.22 C ATOM 0 HA PRO A 37 17.946 19.281 -17.857 1.00 35.30 H new ATOM 0 HB2 PRO A 37 17.871 19.885 -20.567 1.00 51.31 H new ATOM 0 HB3 PRO A 37 19.327 20.157 -19.629 1.00 51.31 H new ATOM 0 HG2 PRO A 37 18.641 17.845 -21.433 1.00 60.52 H new ATOM 0 HG3 PRO A 37 20.155 18.715 -21.286 1.00 60.52 H new ATOM 0 HD2 PRO A 37 19.774 16.301 -20.084 1.00 3.22 H new ATOM 0 HD3 PRO A 37 20.812 17.522 -19.376 1.00 3.22 H new ATOM 601 N PRO A 38 15.644 18.588 -18.106 1.00 4.31 N ATOM 602 CA PRO A 38 14.214 18.302 -18.250 1.00 60.23 C ATOM 603 C PRO A 38 13.541 19.211 -19.273 1.00 61.43 C ATOM 604 O PRO A 38 12.336 19.115 -19.504 1.00 54.34 O ATOM 605 CB PRO A 38 13.656 18.568 -16.850 1.00 71.40 C ATOM 606 CG PRO A 38 14.608 19.538 -16.241 1.00 11.13 C ATOM 607 CD PRO A 38 15.960 19.201 -16.805 1.00 4.13 C ATOM 0 HA PRO A 38 14.036 17.289 -18.609 1.00 60.23 H new ATOM 0 HB2 PRO A 38 12.648 18.979 -16.897 1.00 71.40 H new ATOM 0 HB3 PRO A 38 13.598 17.650 -16.266 1.00 71.40 H new ATOM 0 HG2 PRO A 38 14.329 20.563 -16.483 1.00 11.13 H new ATOM 0 HG3 PRO A 38 14.607 19.456 -15.154 1.00 11.13 H new ATOM 0 HD2 PRO A 38 16.580 20.090 -16.920 1.00 4.13 H new ATOM 0 HD3 PRO A 38 16.505 18.513 -16.158 1.00 4.13 H new ATOM 615 N ASP A 39 14.327 20.091 -19.883 1.00 63.44 N ATOM 616 CA ASP A 39 13.807 21.016 -20.883 1.00 63.15 C ATOM 617 C ASP A 39 13.405 20.273 -22.154 1.00 12.33 C ATOM 618 O ASP A 39 12.668 20.802 -22.985 1.00 53.12 O ATOM 619 CB ASP A 39 14.851 22.085 -21.212 1.00 31.23 C ATOM 620 CG ASP A 39 14.732 23.304 -20.318 1.00 60.31 C ATOM 621 OD1 ASP A 39 13.595 23.652 -19.939 1.00 54.42 O ATOM 622 OD2 ASP A 39 15.776 23.910 -19.998 1.00 65.43 O ATOM 0 H ASP A 39 15.327 20.183 -19.703 1.00 63.44 H new ATOM 0 HA ASP A 39 12.921 21.499 -20.470 1.00 63.15 H new ATOM 0 HB2 ASP A 39 15.849 21.658 -21.109 1.00 31.23 H new ATOM 0 HB3 ASP A 39 14.740 22.389 -22.253 1.00 31.23 H new ATOM 627 N GLN A 40 13.895 19.046 -22.296 1.00 51.12 N ATOM 628 CA GLN A 40 13.587 18.232 -23.466 1.00 45.44 C ATOM 629 C GLN A 40 12.787 16.995 -23.074 1.00 22.11 C ATOM 630 O GLN A 40 12.543 16.116 -23.899 1.00 73.44 O ATOM 631 CB GLN A 40 14.876 17.816 -24.177 1.00 44.44 C ATOM 632 CG GLN A 40 14.860 18.084 -25.674 1.00 15.43 C ATOM 633 CD GLN A 40 14.952 19.561 -26.003 1.00 52.21 C ATOM 634 OE1 GLN A 40 14.172 20.371 -25.501 1.00 52.01 O ATOM 635 NE2 GLN A 40 15.909 19.920 -26.851 1.00 13.20 N ATOM 0 H GLN A 40 14.506 18.594 -21.616 1.00 51.12 H new ATOM 0 HA GLN A 40 12.982 18.832 -24.146 1.00 45.44 H new ATOM 0 HB2 GLN A 40 15.716 18.349 -23.730 1.00 44.44 H new ATOM 0 HB3 GLN A 40 15.047 16.753 -24.009 1.00 44.44 H new ATOM 0 HG2 GLN A 40 15.692 17.559 -26.142 1.00 15.43 H new ATOM 0 HG3 GLN A 40 13.944 17.676 -26.103 1.00 15.43 H new ATOM 0 HE21 GLN A 40 16.534 19.215 -27.243 1.00 13.20 H new ATOM 0 HE22 GLN A 40 16.020 20.900 -27.110 1.00 13.20 H new ATOM 644 N GLN A 41 12.383 16.934 -21.809 1.00 51.22 N ATOM 645 CA GLN A 41 11.611 15.803 -21.308 1.00 0.31 C ATOM 646 C GLN A 41 10.136 16.167 -21.174 1.00 40.25 C ATOM 647 O GLN A 41 9.789 17.183 -20.572 1.00 5.23 O ATOM 648 CB GLN A 41 12.159 15.344 -19.956 1.00 25.40 C ATOM 649 CG GLN A 41 12.627 13.897 -19.949 1.00 44.32 C ATOM 650 CD GLN A 41 12.987 13.407 -18.561 1.00 31.35 C ATOM 651 OE1 GLN A 41 14.059 12.840 -18.348 1.00 63.01 O ATOM 652 NE2 GLN A 41 12.090 13.623 -17.605 1.00 71.45 N ATOM 0 H GLN A 41 12.577 17.654 -21.113 1.00 51.22 H new ATOM 0 HA GLN A 41 11.702 14.987 -22.025 1.00 0.31 H new ATOM 0 HB2 GLN A 41 12.992 15.988 -19.673 1.00 25.40 H new ATOM 0 HB3 GLN A 41 11.386 15.471 -19.198 1.00 25.40 H new ATOM 0 HG2 GLN A 41 11.842 13.263 -20.362 1.00 44.32 H new ATOM 0 HG3 GLN A 41 13.494 13.796 -20.602 1.00 44.32 H new ATOM 0 HE21 GLN A 41 11.214 14.097 -17.825 1.00 71.45 H new ATOM 0 HE22 GLN A 41 12.277 13.315 -16.651 1.00 71.45 H new ATOM 661 N ARG A 42 9.272 15.331 -21.741 1.00 12.41 N ATOM 662 CA ARG A 42 7.834 15.566 -21.686 1.00 50.44 C ATOM 663 C ARG A 42 7.106 14.351 -21.119 1.00 53.40 C ATOM 664 O ARG A 42 7.187 13.253 -21.670 1.00 32.55 O ATOM 665 CB ARG A 42 7.296 15.892 -23.081 1.00 34.31 C ATOM 666 CG ARG A 42 7.951 17.106 -23.719 1.00 33.13 C ATOM 667 CD ARG A 42 8.162 16.905 -25.211 1.00 42.22 C ATOM 668 NE ARG A 42 8.956 17.980 -25.801 1.00 14.21 N ATOM 669 CZ ARG A 42 8.489 19.205 -26.016 1.00 53.03 C ATOM 670 NH1 ARG A 42 7.240 19.509 -25.692 1.00 34.44 N ATOM 671 NH2 ARG A 42 9.272 20.129 -26.557 1.00 41.41 N ATOM 0 H ARG A 42 9.543 14.486 -22.243 1.00 12.41 H new ATOM 0 HA ARG A 42 7.654 16.415 -21.027 1.00 50.44 H new ATOM 0 HB2 ARG A 42 7.443 15.028 -23.729 1.00 34.31 H new ATOM 0 HB3 ARG A 42 6.221 16.062 -23.016 1.00 34.31 H new ATOM 0 HG2 ARG A 42 7.329 17.986 -23.554 1.00 33.13 H new ATOM 0 HG3 ARG A 42 8.910 17.299 -23.238 1.00 33.13 H new ATOM 0 HD2 ARG A 42 8.660 15.951 -25.381 1.00 42.22 H new ATOM 0 HD3 ARG A 42 7.194 16.853 -25.710 1.00 42.22 H new ATOM 0 HE ARG A 42 9.921 17.779 -26.062 1.00 14.21 H new ATOM 0 HH11 ARG A 42 6.634 18.801 -25.276 1.00 34.44 H new ATOM 0 HH12 ARG A 42 6.885 20.451 -25.858 1.00 34.44 H new ATOM 0 HH21 ARG A 42 10.233 19.899 -26.808 1.00 41.41 H new ATOM 0 HH22 ARG A 42 8.913 21.069 -26.722 1.00 41.41 H new ATOM 685 N LEU A 43 6.395 14.556 -20.015 1.00 43.44 N ATOM 686 CA LEU A 43 5.653 13.478 -19.372 1.00 73.13 C ATOM 687 C LEU A 43 4.183 13.512 -19.778 1.00 34.32 C ATOM 688 O LEU A 43 3.557 14.572 -19.794 1.00 45.40 O ATOM 689 CB LEU A 43 5.776 13.583 -17.851 1.00 45.33 C ATOM 690 CG LEU A 43 7.190 13.456 -17.283 1.00 2.45 C ATOM 691 CD1 LEU A 43 7.205 13.816 -15.805 1.00 23.42 C ATOM 692 CD2 LEU A 43 7.727 12.049 -17.497 1.00 32.44 C ATOM 0 H LEU A 43 6.317 15.459 -19.547 1.00 43.44 H new ATOM 0 HA LEU A 43 6.080 12.530 -19.700 1.00 73.13 H new ATOM 0 HB2 LEU A 43 5.365 14.543 -17.538 1.00 45.33 H new ATOM 0 HB3 LEU A 43 5.154 12.809 -17.402 1.00 45.33 H new ATOM 0 HG LEU A 43 7.838 14.154 -17.813 1.00 2.45 H new ATOM 0 HD11 LEU A 43 8.219 13.720 -15.417 1.00 23.42 H new ATOM 0 HD12 LEU A 43 6.863 14.843 -15.677 1.00 23.42 H new ATOM 0 HD13 LEU A 43 6.543 13.143 -15.260 1.00 23.42 H new ATOM 0 HD21 LEU A 43 8.734 11.978 -17.086 1.00 32.44 H new ATOM 0 HD22 LEU A 43 7.078 11.332 -16.994 1.00 32.44 H new ATOM 0 HD23 LEU A 43 7.754 11.828 -18.564 1.00 32.44 H new ATOM 704 N ILE A 44 3.637 12.345 -20.102 1.00 72.53 N ATOM 705 CA ILE A 44 2.240 12.241 -20.504 1.00 74.42 C ATOM 706 C ILE A 44 1.546 11.087 -19.787 1.00 54.52 C ATOM 707 O ILE A 44 2.109 10.002 -19.645 1.00 11.05 O ATOM 708 CB ILE A 44 2.105 12.040 -22.025 1.00 53.12 C ATOM 709 CG1 ILE A 44 3.189 11.088 -22.534 1.00 73.31 C ATOM 710 CG2 ILE A 44 2.187 13.378 -22.745 1.00 72.21 C ATOM 711 CD1 ILE A 44 2.849 10.437 -23.857 1.00 1.30 C ATOM 0 H ILE A 44 4.141 11.458 -20.094 1.00 72.53 H new ATOM 0 HA ILE A 44 1.761 13.180 -20.226 1.00 74.42 H new ATOM 0 HB ILE A 44 1.131 11.596 -22.233 1.00 53.12 H new ATOM 0 HG12 ILE A 44 4.124 11.638 -22.639 1.00 73.31 H new ATOM 0 HG13 ILE A 44 3.358 10.311 -21.789 1.00 73.31 H new ATOM 0 HG21 ILE A 44 2.090 13.220 -23.819 1.00 72.21 H new ATOM 0 HG22 ILE A 44 1.382 14.027 -22.400 1.00 72.21 H new ATOM 0 HG23 ILE A 44 3.148 13.847 -22.533 1.00 72.21 H new ATOM 0 HD11 ILE A 44 3.662 9.776 -24.157 1.00 1.30 H new ATOM 0 HD12 ILE A 44 1.931 9.859 -23.753 1.00 1.30 H new ATOM 0 HD13 ILE A 44 2.709 11.207 -24.616 1.00 1.30 H new ATOM 723 N PHE A 45 0.318 11.330 -19.339 1.00 62.40 N ATOM 724 CA PHE A 45 -0.454 10.311 -18.637 1.00 51.12 C ATOM 725 C PHE A 45 -1.948 10.610 -18.717 1.00 53.15 C ATOM 726 O PHE A 45 -2.373 11.754 -18.557 1.00 63.01 O ATOM 727 CB PHE A 45 -0.017 10.228 -17.173 1.00 51.12 C ATOM 728 CG PHE A 45 -0.798 9.228 -16.370 1.00 72.42 C ATOM 729 CD1 PHE A 45 -1.027 7.952 -16.861 1.00 51.42 C ATOM 730 CD2 PHE A 45 -1.304 9.563 -15.125 1.00 32.45 C ATOM 731 CE1 PHE A 45 -1.745 7.029 -16.125 1.00 12.13 C ATOM 732 CE2 PHE A 45 -2.023 8.643 -14.383 1.00 45.54 C ATOM 733 CZ PHE A 45 -2.244 7.376 -14.885 1.00 34.45 C ATOM 0 H PHE A 45 -0.163 12.223 -19.450 1.00 62.40 H new ATOM 0 HA PHE A 45 -0.267 9.352 -19.120 1.00 51.12 H new ATOM 0 HB2 PHE A 45 1.041 9.968 -17.132 1.00 51.12 H new ATOM 0 HB3 PHE A 45 -0.122 11.211 -16.715 1.00 51.12 H new ATOM 0 HD1 PHE A 45 -0.639 7.676 -17.831 1.00 51.42 H new ATOM 0 HD2 PHE A 45 -1.135 10.554 -14.729 1.00 32.45 H new ATOM 0 HE1 PHE A 45 -1.916 6.038 -16.519 1.00 12.13 H new ATOM 0 HE2 PHE A 45 -2.411 8.915 -13.413 1.00 45.54 H new ATOM 0 HZ PHE A 45 -2.807 6.657 -14.308 1.00 34.45 H new ATOM 743 N ALA A 46 -2.741 9.573 -18.968 1.00 24.24 N ATOM 744 CA ALA A 46 -4.187 9.723 -19.068 1.00 41.01 C ATOM 745 C ALA A 46 -4.570 10.541 -20.297 1.00 2.02 C ATOM 746 O ALA A 46 -5.698 11.019 -20.409 1.00 43.34 O ATOM 747 CB ALA A 46 -4.739 10.371 -17.807 1.00 51.21 C ATOM 0 H ALA A 46 -2.406 8.620 -19.106 1.00 24.24 H new ATOM 0 HA ALA A 46 -4.624 8.730 -19.174 1.00 41.01 H new ATOM 0 HB1 ALA A 46 -5.820 10.477 -17.896 1.00 51.21 H new ATOM 0 HB2 ALA A 46 -4.505 9.747 -16.945 1.00 51.21 H new ATOM 0 HB3 ALA A 46 -4.288 11.354 -17.676 1.00 51.21 H new ATOM 753 N GLY A 47 -3.622 10.698 -21.216 1.00 53.53 N ATOM 754 CA GLY A 47 -3.880 11.460 -22.424 1.00 72.15 C ATOM 755 C GLY A 47 -3.789 12.956 -22.198 1.00 22.14 C ATOM 756 O GLY A 47 -3.963 13.744 -23.127 1.00 0.51 O ATOM 0 H GLY A 47 -2.681 10.311 -21.146 1.00 53.53 H new ATOM 0 HA2 GLY A 47 -3.165 11.168 -23.193 1.00 72.15 H new ATOM 0 HA3 GLY A 47 -4.872 11.213 -22.801 1.00 72.15 H new ATOM 760 N LYS A 48 -3.516 13.349 -20.958 1.00 54.10 N ATOM 761 CA LYS A 48 -3.403 14.760 -20.610 1.00 44.51 C ATOM 762 C LYS A 48 -1.974 15.107 -20.203 1.00 30.12 C ATOM 763 O LYS A 48 -1.330 14.358 -19.469 1.00 60.31 O ATOM 764 CB LYS A 48 -4.367 15.106 -19.473 1.00 25.02 C ATOM 765 CG LYS A 48 -4.317 16.566 -19.056 1.00 75.23 C ATOM 766 CD LYS A 48 -4.973 17.464 -20.092 1.00 64.44 C ATOM 767 CE LYS A 48 -6.458 17.165 -20.230 1.00 24.31 C ATOM 768 NZ LYS A 48 -7.144 17.144 -18.908 1.00 62.55 N ATOM 0 H LYS A 48 -3.369 12.709 -20.177 1.00 54.10 H new ATOM 0 HA LYS A 48 -3.665 15.347 -21.490 1.00 44.51 H new ATOM 0 HB2 LYS A 48 -5.383 14.860 -19.782 1.00 25.02 H new ATOM 0 HB3 LYS A 48 -4.136 14.482 -18.610 1.00 25.02 H new ATOM 0 HG2 LYS A 48 -4.819 16.689 -18.096 1.00 75.23 H new ATOM 0 HG3 LYS A 48 -3.280 16.870 -18.914 1.00 75.23 H new ATOM 0 HD2 LYS A 48 -4.836 18.508 -19.809 1.00 64.44 H new ATOM 0 HD3 LYS A 48 -4.482 17.328 -21.056 1.00 64.44 H new ATOM 0 HE2 LYS A 48 -6.922 17.917 -20.868 1.00 24.31 H new ATOM 0 HE3 LYS A 48 -6.590 16.202 -20.723 1.00 24.31 H new ATOM 0 HZ1 LYS A 48 -8.173 17.192 -19.050 1.00 62.55 H new ATOM 0 HZ2 LYS A 48 -6.905 16.265 -18.407 1.00 62.55 H new ATOM 0 HZ3 LYS A 48 -6.834 17.960 -18.343 1.00 62.55 H new ATOM 782 N GLN A 49 -1.487 16.247 -20.682 1.00 64.44 N ATOM 783 CA GLN A 49 -0.134 16.691 -20.367 1.00 13.42 C ATOM 784 C GLN A 49 -0.070 17.284 -18.963 1.00 41.00 C ATOM 785 O GLN A 49 -0.865 18.155 -18.608 1.00 54.14 O ATOM 786 CB GLN A 49 0.338 17.724 -21.392 1.00 13.35 C ATOM 787 CG GLN A 49 -0.449 19.025 -21.351 1.00 62.42 C ATOM 788 CD GLN A 49 -0.143 19.929 -22.529 1.00 63.51 C ATOM 789 OE1 GLN A 49 -0.573 19.670 -23.653 1.00 70.44 O ATOM 790 NE2 GLN A 49 0.604 20.997 -22.277 1.00 42.12 N ATOM 0 H GLN A 49 -2.008 16.880 -21.289 1.00 64.44 H new ATOM 0 HA GLN A 49 0.525 15.824 -20.406 1.00 13.42 H new ATOM 0 HB2 GLN A 49 1.392 17.941 -21.218 1.00 13.35 H new ATOM 0 HB3 GLN A 49 0.262 17.294 -22.391 1.00 13.35 H new ATOM 0 HG2 GLN A 49 -1.515 18.800 -21.338 1.00 62.42 H new ATOM 0 HG3 GLN A 49 -0.223 19.553 -20.424 1.00 62.42 H new ATOM 0 HE21 GLN A 49 0.939 21.173 -21.330 1.00 42.12 H new ATOM 0 HE22 GLN A 49 0.843 21.642 -23.031 1.00 42.12 H new ATOM 799 N LEU A 50 0.881 16.807 -18.168 1.00 20.41 N ATOM 800 CA LEU A 50 1.049 17.289 -16.801 1.00 64.14 C ATOM 801 C LEU A 50 1.987 18.491 -16.760 1.00 51.40 C ATOM 802 O LEU A 50 3.035 18.495 -17.405 1.00 11.23 O ATOM 803 CB LEU A 50 1.594 16.172 -15.909 1.00 10.31 C ATOM 804 CG LEU A 50 2.810 15.416 -16.446 1.00 55.23 C ATOM 805 CD1 LEU A 50 3.823 15.179 -15.338 1.00 24.12 C ATOM 806 CD2 LEU A 50 2.383 14.097 -17.073 1.00 33.44 C ATOM 0 H LEU A 50 1.548 16.087 -18.446 1.00 20.41 H new ATOM 0 HA LEU A 50 0.073 17.600 -16.428 1.00 64.14 H new ATOM 0 HB2 LEU A 50 1.857 16.602 -14.942 1.00 10.31 H new ATOM 0 HB3 LEU A 50 0.794 15.453 -15.731 1.00 10.31 H new ATOM 0 HG LEU A 50 3.282 16.025 -17.217 1.00 55.23 H new ATOM 0 HD11 LEU A 50 4.681 14.640 -15.739 1.00 24.12 H new ATOM 0 HD12 LEU A 50 4.152 16.137 -14.935 1.00 24.12 H new ATOM 0 HD13 LEU A 50 3.363 14.590 -14.544 1.00 24.12 H new ATOM 0 HD21 LEU A 50 3.261 13.572 -17.450 1.00 33.44 H new ATOM 0 HD22 LEU A 50 1.887 13.481 -16.323 1.00 33.44 H new ATOM 0 HD23 LEU A 50 1.695 14.291 -17.896 1.00 33.44 H new ATOM 818 N GLU A 51 1.603 19.509 -15.996 1.00 15.02 N ATOM 819 CA GLU A 51 2.410 20.717 -15.870 1.00 22.52 C ATOM 820 C GLU A 51 3.417 20.581 -14.731 1.00 12.42 C ATOM 821 O GLU A 51 3.133 19.957 -13.708 1.00 63.04 O ATOM 822 CB GLU A 51 1.514 21.934 -15.631 1.00 61.34 C ATOM 823 CG GLU A 51 1.221 22.730 -16.892 1.00 22.01 C ATOM 824 CD GLU A 51 0.901 24.184 -16.602 1.00 65.34 C ATOM 825 OE1 GLU A 51 1.310 24.680 -15.532 1.00 63.01 O ATOM 826 OE2 GLU A 51 0.242 24.825 -17.447 1.00 42.14 O ATOM 0 H GLU A 51 0.738 19.521 -15.455 1.00 15.02 H new ATOM 0 HA GLU A 51 2.958 20.856 -16.802 1.00 22.52 H new ATOM 0 HB2 GLU A 51 0.572 21.601 -15.194 1.00 61.34 H new ATOM 0 HB3 GLU A 51 1.991 22.588 -14.901 1.00 61.34 H new ATOM 0 HG2 GLU A 51 2.082 22.677 -17.559 1.00 22.01 H new ATOM 0 HG3 GLU A 51 0.382 22.275 -17.418 1.00 22.01 H new ATOM 833 N ASP A 52 4.593 21.170 -14.916 1.00 10.51 N ATOM 834 CA ASP A 52 5.642 21.117 -13.905 1.00 4.03 C ATOM 835 C ASP A 52 5.183 21.778 -12.609 1.00 34.11 C ATOM 836 O ASP A 52 5.705 21.489 -11.533 1.00 45.14 O ATOM 837 CB ASP A 52 6.910 21.801 -14.418 1.00 65.34 C ATOM 838 CG ASP A 52 6.620 23.124 -15.098 1.00 52.23 C ATOM 839 OD1 ASP A 52 6.568 24.154 -14.394 1.00 21.21 O ATOM 840 OD2 ASP A 52 6.443 23.130 -16.335 1.00 1.22 O ATOM 0 H ASP A 52 4.844 21.690 -15.757 1.00 10.51 H new ATOM 0 HA ASP A 52 5.861 20.069 -13.700 1.00 4.03 H new ATOM 0 HB2 ASP A 52 7.593 21.966 -13.584 1.00 65.34 H new ATOM 0 HB3 ASP A 52 7.418 21.139 -15.119 1.00 65.34 H new ATOM 845 N GLY A 53 4.201 22.668 -12.720 1.00 60.11 N ATOM 846 CA GLY A 53 3.688 23.357 -11.550 1.00 63.23 C ATOM 847 C GLY A 53 2.548 22.608 -10.890 1.00 30.23 C ATOM 848 O GLY A 53 1.890 23.133 -9.992 1.00 35.34 O ATOM 0 H GLY A 53 3.752 22.924 -13.599 1.00 60.11 H new ATOM 0 HA2 GLY A 53 4.495 23.493 -10.830 1.00 63.23 H new ATOM 0 HA3 GLY A 53 3.347 24.351 -11.838 1.00 63.23 H new ATOM 852 N ARG A 54 2.313 21.378 -11.336 1.00 13.31 N ATOM 853 CA ARG A 54 1.242 20.557 -10.784 1.00 11.11 C ATOM 854 C ARG A 54 1.803 19.486 -9.853 1.00 11.44 C ATOM 855 O ARG A 54 2.927 19.017 -10.034 1.00 31.14 O ATOM 856 CB ARG A 54 0.442 19.900 -11.910 1.00 52.22 C ATOM 857 CG ARG A 54 -0.500 20.855 -12.625 1.00 50.13 C ATOM 858 CD ARG A 54 -1.642 21.293 -11.721 1.00 44.01 C ATOM 859 NE ARG A 54 -1.689 22.744 -11.564 1.00 15.22 N ATOM 860 CZ ARG A 54 -2.011 23.580 -12.545 1.00 64.44 C ATOM 861 NH1 ARG A 54 -2.311 23.110 -13.748 1.00 41.04 N ATOM 862 NH2 ARG A 54 -2.032 24.888 -12.324 1.00 71.24 N ATOM 0 H ARG A 54 2.850 20.928 -12.078 1.00 13.31 H new ATOM 0 HA ARG A 54 0.581 21.205 -10.208 1.00 11.11 H new ATOM 0 HB2 ARG A 54 1.135 19.475 -12.636 1.00 52.22 H new ATOM 0 HB3 ARG A 54 -0.136 19.073 -11.499 1.00 52.22 H new ATOM 0 HG2 ARG A 54 0.055 21.731 -12.962 1.00 50.13 H new ATOM 0 HG3 ARG A 54 -0.904 20.371 -13.515 1.00 50.13 H new ATOM 0 HD2 ARG A 54 -2.587 20.942 -12.135 1.00 44.01 H new ATOM 0 HD3 ARG A 54 -1.530 20.826 -10.743 1.00 44.01 H new ATOM 0 HE ARG A 54 -1.462 23.137 -10.651 1.00 15.22 H new ATOM 0 HH11 ARG A 54 -2.295 22.105 -13.921 1.00 41.04 H new ATOM 0 HH12 ARG A 54 -2.558 23.753 -14.500 1.00 41.04 H new ATOM 0 HH21 ARG A 54 -1.801 25.253 -11.400 1.00 71.24 H new ATOM 0 HH22 ARG A 54 -2.279 25.529 -13.078 1.00 71.24 H new ATOM 876 N THR A 55 1.012 19.104 -8.854 1.00 43.33 N ATOM 877 CA THR A 55 1.430 18.091 -7.894 1.00 32.22 C ATOM 878 C THR A 55 0.749 16.756 -8.172 1.00 61.45 C ATOM 879 O THR A 55 -0.261 16.697 -8.875 1.00 32.33 O ATOM 880 CB THR A 55 1.115 18.523 -6.449 1.00 64.21 C ATOM 881 OG1 THR A 55 1.438 17.464 -5.540 1.00 54.22 O ATOM 882 CG2 THR A 55 -0.352 18.895 -6.303 1.00 34.43 C ATOM 0 H THR A 55 0.079 19.481 -8.690 1.00 43.33 H new ATOM 0 HA THR A 55 2.508 17.976 -8.005 1.00 32.22 H new ATOM 0 HB THR A 55 1.720 19.399 -6.215 1.00 64.21 H new ATOM 0 HG1 THR A 55 2.356 17.162 -5.703 1.00 54.22 H new ATOM 0 HG21 THR A 55 -0.550 19.197 -5.274 1.00 34.43 H new ATOM 0 HG22 THR A 55 -0.587 19.721 -6.975 1.00 34.43 H new ATOM 0 HG23 THR A 55 -0.972 18.035 -6.555 1.00 34.43 H new ATOM 890 N LEU A 56 1.307 15.685 -7.618 1.00 44.30 N ATOM 891 CA LEU A 56 0.753 14.349 -7.806 1.00 42.14 C ATOM 892 C LEU A 56 -0.667 14.266 -7.255 1.00 63.24 C ATOM 893 O LEU A 56 -1.574 13.771 -7.923 1.00 74.24 O ATOM 894 CB LEU A 56 1.640 13.307 -7.123 1.00 33.24 C ATOM 895 CG LEU A 56 3.091 13.242 -7.601 1.00 13.13 C ATOM 896 CD1 LEU A 56 3.810 12.062 -6.966 1.00 72.00 C ATOM 897 CD2 LEU A 56 3.148 13.151 -9.119 1.00 24.44 C ATOM 0 H LEU A 56 2.143 15.716 -7.035 1.00 44.30 H new ATOM 0 HA LEU A 56 0.720 14.143 -8.876 1.00 42.14 H new ATOM 0 HB2 LEU A 56 1.640 13.506 -6.051 1.00 33.24 H new ATOM 0 HB3 LEU A 56 1.188 12.325 -7.265 1.00 33.24 H new ATOM 0 HG LEU A 56 3.597 14.157 -7.293 1.00 13.13 H new ATOM 0 HD11 LEU A 56 4.841 12.032 -7.318 1.00 72.00 H new ATOM 0 HD12 LEU A 56 3.800 12.171 -5.881 1.00 72.00 H new ATOM 0 HD13 LEU A 56 3.305 11.136 -7.243 1.00 72.00 H new ATOM 0 HD21 LEU A 56 4.188 13.106 -9.442 1.00 24.44 H new ATOM 0 HD22 LEU A 56 2.626 12.253 -9.450 1.00 24.44 H new ATOM 0 HD23 LEU A 56 2.671 14.029 -9.554 1.00 24.44 H new ATOM 909 N SER A 57 -0.851 14.755 -6.034 1.00 15.45 N ATOM 910 CA SER A 57 -2.161 14.735 -5.392 1.00 23.33 C ATOM 911 C SER A 57 -3.222 15.343 -6.303 1.00 72.23 C ATOM 912 O SER A 57 -4.322 14.806 -6.438 1.00 61.02 O ATOM 913 CB SER A 57 -2.114 15.496 -4.066 1.00 11.24 C ATOM 914 OG SER A 57 -2.853 16.703 -4.144 1.00 72.30 O ATOM 0 H SER A 57 -0.110 15.170 -5.469 1.00 15.45 H new ATOM 0 HA SER A 57 -2.427 13.696 -5.197 1.00 23.33 H new ATOM 0 HB2 SER A 57 -2.517 14.870 -3.270 1.00 11.24 H new ATOM 0 HB3 SER A 57 -1.079 15.716 -3.806 1.00 11.24 H new ATOM 0 HG SER A 57 -2.809 17.170 -3.283 1.00 72.30 H new ATOM 920 N ASP A 58 -2.884 16.466 -6.927 1.00 14.24 N ATOM 921 CA ASP A 58 -3.807 17.148 -7.827 1.00 10.43 C ATOM 922 C ASP A 58 -4.148 16.268 -9.025 1.00 43.21 C ATOM 923 O ASP A 58 -5.230 16.378 -9.601 1.00 54.11 O ATOM 924 CB ASP A 58 -3.204 18.470 -8.304 1.00 44.21 C ATOM 925 CG ASP A 58 -4.152 19.253 -9.191 1.00 62.54 C ATOM 926 OD1 ASP A 58 -5.314 19.456 -8.783 1.00 1.22 O ATOM 927 OD2 ASP A 58 -3.732 19.660 -10.295 1.00 11.31 O ATOM 0 H ASP A 58 -1.978 16.923 -6.826 1.00 14.24 H new ATOM 0 HA ASP A 58 -4.726 17.354 -7.278 1.00 10.43 H new ATOM 0 HB2 ASP A 58 -2.936 19.077 -7.439 1.00 44.21 H new ATOM 0 HB3 ASP A 58 -2.282 18.269 -8.850 1.00 44.21 H new ATOM 932 N TYR A 59 -3.217 15.396 -9.396 1.00 3.32 N ATOM 933 CA TYR A 59 -3.417 14.500 -10.528 1.00 63.31 C ATOM 934 C TYR A 59 -4.305 13.322 -10.140 1.00 20.30 C ATOM 935 O TYR A 59 -4.769 12.571 -10.997 1.00 64.21 O ATOM 936 CB TYR A 59 -2.071 13.989 -11.045 1.00 43.32 C ATOM 937 CG TYR A 59 -1.928 14.074 -12.548 1.00 42.11 C ATOM 938 CD1 TYR A 59 -1.588 15.271 -13.167 1.00 71.52 C ATOM 939 CD2 TYR A 59 -2.132 12.957 -13.349 1.00 24.11 C ATOM 940 CE1 TYR A 59 -1.457 15.353 -14.540 1.00 33.51 C ATOM 941 CE2 TYR A 59 -2.002 13.029 -14.722 1.00 45.34 C ATOM 942 CZ TYR A 59 -1.665 14.229 -15.313 1.00 42.31 C ATOM 943 OH TYR A 59 -1.534 14.307 -16.681 1.00 30.42 O ATOM 0 H TYR A 59 -2.316 15.291 -8.929 1.00 3.32 H new ATOM 0 HA TYR A 59 -3.914 15.061 -11.319 1.00 63.31 H new ATOM 0 HB2 TYR A 59 -1.270 14.564 -10.579 1.00 43.32 H new ATOM 0 HB3 TYR A 59 -1.942 12.952 -10.734 1.00 43.32 H new ATOM 0 HD1 TYR A 59 -1.423 16.152 -12.565 1.00 71.52 H new ATOM 0 HD2 TYR A 59 -2.397 12.016 -12.890 1.00 24.11 H new ATOM 0 HE1 TYR A 59 -1.193 16.291 -15.005 1.00 33.51 H new ATOM 0 HE2 TYR A 59 -2.163 12.151 -15.330 1.00 45.34 H new ATOM 0 HH TYR A 59 -1.796 13.453 -17.084 1.00 30.42 H new ATOM 953 N ASN A 60 -4.538 13.168 -8.841 1.00 21.45 N ATOM 954 CA ASN A 60 -5.370 12.081 -8.337 1.00 15.32 C ATOM 955 C ASN A 60 -4.817 10.727 -8.768 1.00 24.44 C ATOM 956 O ASN A 60 -5.573 9.794 -9.041 1.00 2.12 O ATOM 957 CB ASN A 60 -6.808 12.239 -8.836 1.00 51.21 C ATOM 958 CG ASN A 60 -7.830 11.989 -7.744 1.00 32.10 C ATOM 959 OD1 ASN A 60 -8.662 12.847 -7.449 1.00 34.21 O ATOM 960 ND2 ASN A 60 -7.771 10.809 -7.138 1.00 32.21 N ATOM 0 H ASN A 60 -4.163 13.782 -8.118 1.00 21.45 H new ATOM 0 HA ASN A 60 -5.362 12.126 -7.248 1.00 15.32 H new ATOM 0 HB2 ASN A 60 -6.943 13.245 -9.233 1.00 51.21 H new ATOM 0 HB3 ASN A 60 -6.982 11.546 -9.659 1.00 51.21 H new ATOM 0 HD21 ASN A 60 -8.433 10.584 -6.395 1.00 32.21 H new ATOM 0 HD22 ASN A 60 -7.064 10.128 -7.415 1.00 32.21 H new ATOM 967 N ILE A 61 -3.493 10.626 -8.825 1.00 41.24 N ATOM 968 CA ILE A 61 -2.838 9.386 -9.221 1.00 70.41 C ATOM 969 C ILE A 61 -2.778 8.401 -8.059 1.00 21.44 C ATOM 970 O ILE A 61 -2.126 8.659 -7.047 1.00 60.13 O ATOM 971 CB ILE A 61 -1.409 9.642 -9.736 1.00 55.50 C ATOM 972 CG1 ILE A 61 -0.646 10.540 -8.760 1.00 62.10 C ATOM 973 CG2 ILE A 61 -1.451 10.271 -11.121 1.00 4.22 C ATOM 974 CD1 ILE A 61 0.789 10.114 -8.544 1.00 65.11 C ATOM 0 H ILE A 61 -2.853 11.388 -8.602 1.00 41.24 H new ATOM 0 HA ILE A 61 -3.434 8.959 -10.027 1.00 70.41 H new ATOM 0 HB ILE A 61 -0.887 8.688 -9.807 1.00 55.50 H new ATOM 0 HG12 ILE A 61 -0.660 11.564 -9.134 1.00 62.10 H new ATOM 0 HG13 ILE A 61 -1.164 10.543 -7.801 1.00 62.10 H new ATOM 0 HG21 ILE A 61 -0.434 10.446 -11.472 1.00 4.22 H new ATOM 0 HG22 ILE A 61 -1.962 9.599 -11.810 1.00 4.22 H new ATOM 0 HG23 ILE A 61 -1.987 11.219 -11.074 1.00 4.22 H new ATOM 0 HD11 ILE A 61 1.269 10.795 -7.841 1.00 65.11 H new ATOM 0 HD12 ILE A 61 0.811 9.102 -8.141 1.00 65.11 H new ATOM 0 HD13 ILE A 61 1.323 10.138 -9.494 1.00 65.11 H new ATOM 986 N GLN A 62 -3.461 7.271 -8.212 1.00 21.35 N ATOM 987 CA GLN A 62 -3.484 6.246 -7.174 1.00 41.23 C ATOM 988 C GLN A 62 -2.113 5.596 -7.021 1.00 2.13 C ATOM 989 O GLN A 62 -1.191 5.876 -7.788 1.00 15.10 O ATOM 990 CB GLN A 62 -4.532 5.182 -7.502 1.00 73.34 C ATOM 991 CG GLN A 62 -5.553 4.972 -6.396 1.00 31.32 C ATOM 992 CD GLN A 62 -6.822 4.307 -6.891 1.00 55.31 C ATOM 993 OE1 GLN A 62 -6.938 3.081 -6.885 1.00 15.42 O ATOM 994 NE2 GLN A 62 -7.784 5.115 -7.324 1.00 24.10 N ATOM 0 H GLN A 62 -4.005 7.042 -9.044 1.00 21.35 H new ATOM 0 HA GLN A 62 -3.746 6.725 -6.231 1.00 41.23 H new ATOM 0 HB2 GLN A 62 -5.053 5.467 -8.416 1.00 73.34 H new ATOM 0 HB3 GLN A 62 -4.027 4.237 -7.703 1.00 73.34 H new ATOM 0 HG2 GLN A 62 -5.110 4.361 -5.609 1.00 31.32 H new ATOM 0 HG3 GLN A 62 -5.802 5.935 -5.949 1.00 31.32 H new ATOM 0 HE21 GLN A 62 -7.646 6.125 -7.311 1.00 24.10 H new ATOM 0 HE22 GLN A 62 -8.661 4.725 -7.669 1.00 24.10 H new ATOM 1003 N LYS A 63 -1.984 4.727 -6.024 1.00 70.21 N ATOM 1004 CA LYS A 63 -0.726 4.035 -5.769 1.00 40.23 C ATOM 1005 C LYS A 63 -0.461 2.978 -6.836 1.00 63.40 C ATOM 1006 O LYS A 63 -1.381 2.302 -7.294 1.00 71.25 O ATOM 1007 CB LYS A 63 -0.750 3.384 -4.385 1.00 22.42 C ATOM 1008 CG LYS A 63 -1.759 2.255 -4.261 1.00 63.11 C ATOM 1009 CD LYS A 63 -2.646 2.431 -3.040 1.00 4.21 C ATOM 1010 CE LYS A 63 -2.496 1.269 -2.070 1.00 73.12 C ATOM 1011 NZ LYS A 63 -3.637 0.316 -2.167 1.00 24.01 N ATOM 0 H LYS A 63 -2.736 4.485 -5.379 1.00 70.21 H new ATOM 0 HA LYS A 63 0.078 4.770 -5.804 1.00 40.23 H new ATOM 0 HB2 LYS A 63 0.244 2.999 -4.157 1.00 22.42 H new ATOM 0 HB3 LYS A 63 -0.976 4.145 -3.638 1.00 22.42 H new ATOM 0 HG2 LYS A 63 -2.377 2.218 -5.158 1.00 63.11 H new ATOM 0 HG3 LYS A 63 -1.234 1.302 -4.196 1.00 63.11 H new ATOM 0 HD2 LYS A 63 -2.391 3.363 -2.535 1.00 4.21 H new ATOM 0 HD3 LYS A 63 -3.687 2.513 -3.354 1.00 4.21 H new ATOM 0 HE2 LYS A 63 -1.564 0.742 -2.275 1.00 73.12 H new ATOM 0 HE3 LYS A 63 -2.428 1.652 -1.052 1.00 73.12 H new ATOM 0 HZ1 LYS A 63 -3.498 -0.462 -1.491 1.00 24.01 H new ATOM 0 HZ2 LYS A 63 -4.524 0.813 -1.946 1.00 24.01 H new ATOM 0 HZ3 LYS A 63 -3.687 -0.069 -3.132 1.00 24.01 H new ATOM 1025 N GLU A 64 0.803 2.840 -7.225 1.00 30.30 N ATOM 1026 CA GLU A 64 1.188 1.863 -8.238 1.00 14.54 C ATOM 1027 C GLU A 64 0.716 2.300 -9.621 1.00 54.24 C ATOM 1028 O GLU A 64 0.449 1.469 -10.489 1.00 71.21 O ATOM 1029 CB GLU A 64 0.607 0.489 -7.899 1.00 62.20 C ATOM 1030 CG GLU A 64 1.478 -0.324 -6.956 1.00 30.13 C ATOM 1031 CD GLU A 64 0.686 -1.352 -6.171 1.00 63.21 C ATOM 1032 OE1 GLU A 64 -0.104 -2.093 -6.793 1.00 44.15 O ATOM 1033 OE2 GLU A 64 0.856 -1.416 -4.936 1.00 21.12 O ATOM 0 H GLU A 64 1.577 3.392 -6.855 1.00 30.30 H new ATOM 0 HA GLU A 64 2.276 1.797 -8.248 1.00 14.54 H new ATOM 0 HB2 GLU A 64 -0.377 0.621 -7.449 1.00 62.20 H new ATOM 0 HB3 GLU A 64 0.462 -0.073 -8.822 1.00 62.20 H new ATOM 0 HG2 GLU A 64 2.255 -0.830 -7.530 1.00 30.13 H new ATOM 0 HG3 GLU A 64 1.982 0.349 -6.262 1.00 30.13 H new ATOM 1040 N SER A 65 0.614 3.611 -9.819 1.00 65.34 N ATOM 1041 CA SER A 65 0.170 4.159 -11.096 1.00 24.04 C ATOM 1042 C SER A 65 1.210 3.912 -12.184 1.00 61.54 C ATOM 1043 O SER A 65 2.369 3.609 -11.897 1.00 12.33 O ATOM 1044 CB SER A 65 -0.100 5.659 -10.964 1.00 3.01 C ATOM 1045 OG SER A 65 -1.401 5.985 -11.420 1.00 35.35 O ATOM 0 H SER A 65 0.833 4.313 -9.112 1.00 65.34 H new ATOM 0 HA SER A 65 -0.753 3.654 -11.379 1.00 24.04 H new ATOM 0 HB2 SER A 65 0.010 5.961 -9.923 1.00 3.01 H new ATOM 0 HB3 SER A 65 0.640 6.217 -11.538 1.00 3.01 H new ATOM 0 HG SER A 65 -1.549 6.949 -11.324 1.00 35.35 H new ATOM 1051 N THR A 66 0.787 4.042 -13.438 1.00 64.11 N ATOM 1052 CA THR A 66 1.680 3.832 -14.571 1.00 74.22 C ATOM 1053 C THR A 66 1.785 5.088 -15.428 1.00 43.11 C ATOM 1054 O THR A 66 0.789 5.567 -15.972 1.00 63.53 O ATOM 1055 CB THR A 66 1.203 2.662 -15.452 1.00 73.23 C ATOM 1056 OG1 THR A 66 -0.161 2.346 -15.151 1.00 31.20 O ATOM 1057 CG2 THR A 66 2.073 1.433 -15.237 1.00 72.32 C ATOM 0 H THR A 66 -0.168 4.292 -13.694 1.00 64.11 H new ATOM 0 HA THR A 66 2.661 3.592 -14.161 1.00 74.22 H new ATOM 0 HB THR A 66 1.283 2.966 -16.496 1.00 73.23 H new ATOM 0 HG1 THR A 66 -0.457 1.602 -15.717 1.00 31.20 H new ATOM 0 HG21 THR A 66 1.717 0.620 -15.870 1.00 72.32 H new ATOM 0 HG22 THR A 66 3.105 1.668 -15.495 1.00 72.32 H new ATOM 0 HG23 THR A 66 2.021 1.129 -14.192 1.00 72.32 H new ATOM 1065 N LEU A 67 2.998 5.618 -15.545 1.00 53.31 N ATOM 1066 CA LEU A 67 3.234 6.820 -16.338 1.00 10.14 C ATOM 1067 C LEU A 67 4.124 6.514 -17.538 1.00 51.51 C ATOM 1068 O LEU A 67 5.023 5.677 -17.460 1.00 64.13 O ATOM 1069 CB LEU A 67 3.878 7.906 -15.474 1.00 23.21 C ATOM 1070 CG LEU A 67 3.267 9.303 -15.586 1.00 4.11 C ATOM 1071 CD1 LEU A 67 3.547 10.110 -14.328 1.00 1.33 C ATOM 1072 CD2 LEU A 67 3.805 10.023 -16.814 1.00 55.12 C ATOM 0 H LEU A 67 3.833 5.235 -15.101 1.00 53.31 H new ATOM 0 HA LEU A 67 2.272 7.179 -16.705 1.00 10.14 H new ATOM 0 HB2 LEU A 67 3.826 7.591 -14.432 1.00 23.21 H new ATOM 0 HB3 LEU A 67 4.934 7.971 -15.735 1.00 23.21 H new ATOM 0 HG LEU A 67 2.187 9.199 -15.694 1.00 4.11 H new ATOM 0 HD11 LEU A 67 3.105 11.101 -14.426 1.00 1.33 H new ATOM 0 HD12 LEU A 67 3.113 9.603 -13.466 1.00 1.33 H new ATOM 0 HD13 LEU A 67 4.624 10.205 -14.189 1.00 1.33 H new ATOM 0 HD21 LEU A 67 3.359 11.016 -16.878 1.00 55.12 H new ATOM 0 HD22 LEU A 67 4.888 10.116 -16.736 1.00 55.12 H new ATOM 0 HD23 LEU A 67 3.553 9.454 -17.709 1.00 55.12 H new ATOM 1084 N HIS A 68 3.868 7.201 -18.648 1.00 25.44 N ATOM 1085 CA HIS A 68 4.648 7.004 -19.864 1.00 45.54 C ATOM 1086 C HIS A 68 5.908 7.865 -19.847 1.00 51.41 C ATOM 1087 O HIS A 68 5.898 8.989 -19.342 1.00 53.04 O ATOM 1088 CB HIS A 68 3.805 7.339 -21.095 1.00 62.53 C ATOM 1089 CG HIS A 68 2.442 6.718 -21.074 1.00 23.20 C ATOM 1090 ND1 HIS A 68 1.324 7.341 -21.585 1.00 75.03 N ATOM 1091 CD2 HIS A 68 2.022 5.522 -20.600 1.00 75.34 C ATOM 1092 CE1 HIS A 68 0.273 6.556 -21.426 1.00 22.34 C ATOM 1093 NE2 HIS A 68 0.670 5.445 -20.831 1.00 11.23 N ATOM 0 H HIS A 68 3.128 7.898 -18.730 1.00 25.44 H new ATOM 0 HA HIS A 68 4.945 5.956 -19.910 1.00 45.54 H new ATOM 0 HB2 HIS A 68 3.701 8.421 -21.171 1.00 62.53 H new ATOM 0 HB3 HIS A 68 4.333 7.006 -21.989 1.00 62.53 H new ATOM 0 HD2 HIS A 68 2.635 4.769 -20.128 1.00 75.34 H new ATOM 0 HE1 HIS A 68 -0.738 6.784 -21.730 1.00 22.34 H new ATOM 0 HE2 HIS A 68 0.070 4.658 -20.583 1.00 11.23 H new ATOM 1101 N LEU A 69 6.991 7.331 -20.400 1.00 42.53 N ATOM 1102 CA LEU A 69 8.260 8.051 -20.448 1.00 34.40 C ATOM 1103 C LEU A 69 8.733 8.225 -21.887 1.00 60.25 C ATOM 1104 O LEU A 69 8.679 7.291 -22.687 1.00 73.54 O ATOM 1105 CB LEU A 69 9.321 7.306 -19.636 1.00 43.34 C ATOM 1106 CG LEU A 69 10.108 8.147 -18.630 1.00 31.53 C ATOM 1107 CD1 LEU A 69 10.897 9.234 -19.343 1.00 30.51 C ATOM 1108 CD2 LEU A 69 9.172 8.755 -17.596 1.00 55.53 C ATOM 0 H LEU A 69 7.017 6.402 -20.821 1.00 42.53 H new ATOM 0 HA LEU A 69 8.107 9.039 -20.014 1.00 34.40 H new ATOM 0 HB2 LEU A 69 8.834 6.493 -19.098 1.00 43.34 H new ATOM 0 HB3 LEU A 69 10.027 6.850 -20.330 1.00 43.34 H new ATOM 0 HG LEU A 69 10.813 7.495 -18.114 1.00 31.53 H new ATOM 0 HD11 LEU A 69 11.450 9.822 -18.611 1.00 30.51 H new ATOM 0 HD12 LEU A 69 11.596 8.776 -20.044 1.00 30.51 H new ATOM 0 HD13 LEU A 69 10.211 9.884 -19.887 1.00 30.51 H new ATOM 0 HD21 LEU A 69 9.749 9.350 -16.888 1.00 55.53 H new ATOM 0 HD22 LEU A 69 8.442 9.392 -18.096 1.00 55.53 H new ATOM 0 HD23 LEU A 69 8.653 7.959 -17.062 1.00 55.53 H new ATOM 1120 N VAL A 70 9.200 9.427 -22.210 1.00 74.13 N ATOM 1121 CA VAL A 70 9.686 9.723 -23.552 1.00 64.04 C ATOM 1122 C VAL A 70 11.210 9.753 -23.590 1.00 62.51 C ATOM 1123 O VAL A 70 11.864 9.961 -22.567 1.00 33.30 O ATOM 1124 CB VAL A 70 9.145 11.072 -24.061 1.00 11.31 C ATOM 1125 CG1 VAL A 70 7.636 11.008 -24.241 1.00 51.52 C ATOM 1126 CG2 VAL A 70 9.529 12.194 -23.107 1.00 63.53 C ATOM 0 H VAL A 70 9.252 10.212 -21.560 1.00 74.13 H new ATOM 0 HA VAL A 70 9.324 8.926 -24.202 1.00 64.04 H new ATOM 0 HB VAL A 70 9.594 11.281 -25.032 1.00 11.31 H new ATOM 0 HG11 VAL A 70 7.271 11.970 -24.601 1.00 51.52 H new ATOM 0 HG12 VAL A 70 7.389 10.232 -24.965 1.00 51.52 H new ATOM 0 HG13 VAL A 70 7.165 10.776 -23.286 1.00 51.52 H new ATOM 0 HG21 VAL A 70 9.139 13.140 -23.482 1.00 63.53 H new ATOM 0 HG22 VAL A 70 9.109 11.993 -22.121 1.00 63.53 H new ATOM 0 HG23 VAL A 70 10.615 12.253 -23.033 1.00 63.53 H new ATOM 1136 N LEU A 71 11.771 9.544 -24.776 1.00 61.50 N ATOM 1137 CA LEU A 71 13.220 9.547 -24.948 1.00 73.45 C ATOM 1138 C LEU A 71 13.658 10.696 -25.850 1.00 3.10 C ATOM 1139 O LEU A 71 12.856 11.249 -26.603 1.00 30.43 O ATOM 1140 CB LEU A 71 13.686 8.214 -25.538 1.00 54.44 C ATOM 1141 CG LEU A 71 13.594 8.085 -27.059 1.00 45.33 C ATOM 1142 CD1 LEU A 71 14.976 8.189 -27.687 1.00 74.45 C ATOM 1143 CD2 LEU A 71 12.928 6.772 -27.444 1.00 44.32 C ATOM 0 H LEU A 71 11.245 9.370 -25.632 1.00 61.50 H new ATOM 0 HA LEU A 71 13.678 9.683 -23.968 1.00 73.45 H new ATOM 0 HB2 LEU A 71 14.722 8.051 -25.241 1.00 54.44 H new ATOM 0 HB3 LEU A 71 13.096 7.415 -25.089 1.00 54.44 H new ATOM 0 HG LEU A 71 12.982 8.904 -27.438 1.00 45.33 H new ATOM 0 HD11 LEU A 71 14.892 8.095 -28.770 1.00 74.45 H new ATOM 0 HD12 LEU A 71 15.416 9.155 -27.440 1.00 74.45 H new ATOM 0 HD13 LEU A 71 15.612 7.391 -27.302 1.00 74.45 H new ATOM 0 HD21 LEU A 71 12.871 6.698 -28.530 1.00 44.32 H new ATOM 0 HD22 LEU A 71 13.513 5.939 -27.053 1.00 44.32 H new ATOM 0 HD23 LEU A 71 11.922 6.737 -27.025 1.00 44.32 H new ATOM 1155 N ARG A 72 14.937 11.050 -25.769 1.00 71.35 N ATOM 1156 CA ARG A 72 15.482 12.133 -26.579 1.00 25.33 C ATOM 1157 C ARG A 72 16.354 11.584 -27.705 1.00 11.32 C ATOM 1158 O ARG A 72 17.360 10.918 -27.458 1.00 33.44 O ATOM 1159 CB ARG A 72 16.299 13.088 -25.707 1.00 2.05 C ATOM 1160 CG ARG A 72 16.916 14.242 -26.480 1.00 10.12 C ATOM 1161 CD ARG A 72 18.303 14.583 -25.959 1.00 44.21 C ATOM 1162 NE ARG A 72 19.110 15.273 -26.962 1.00 41.11 N ATOM 1163 CZ ARG A 72 19.017 16.575 -27.211 1.00 64.44 C ATOM 1164 NH1 ARG A 72 18.158 17.323 -26.534 1.00 50.20 N ATOM 1165 NH2 ARG A 72 19.786 17.130 -28.140 1.00 32.12 N ATOM 0 H ARG A 72 15.614 10.603 -25.151 1.00 71.35 H new ATOM 0 HA ARG A 72 14.648 12.678 -27.021 1.00 25.33 H new ATOM 0 HB2 ARG A 72 15.657 13.489 -24.923 1.00 2.05 H new ATOM 0 HB3 ARG A 72 17.093 12.527 -25.214 1.00 2.05 H new ATOM 0 HG2 ARG A 72 16.977 13.982 -27.537 1.00 10.12 H new ATOM 0 HG3 ARG A 72 16.272 15.118 -26.404 1.00 10.12 H new ATOM 0 HD2 ARG A 72 18.213 15.210 -25.072 1.00 44.21 H new ATOM 0 HD3 ARG A 72 18.810 13.668 -25.652 1.00 44.21 H new ATOM 0 HE ARG A 72 19.781 14.726 -27.501 1.00 41.11 H new ATOM 0 HH11 ARG A 72 17.566 16.900 -25.819 1.00 50.20 H new ATOM 0 HH12 ARG A 72 18.089 18.322 -26.727 1.00 50.20 H new ATOM 0 HH21 ARG A 72 20.448 16.557 -28.663 1.00 32.12 H new ATOM 0 HH22 ARG A 72 19.714 18.129 -28.331 1.00 32.12 H new ATOM 1179 N LEU A 73 15.961 11.869 -28.942 1.00 22.44 N ATOM 1180 CA LEU A 73 16.706 11.404 -30.107 1.00 31.33 C ATOM 1181 C LEU A 73 17.792 12.403 -30.493 1.00 21.52 C ATOM 1182 O LEU A 73 17.590 13.615 -30.418 1.00 33.52 O ATOM 1183 CB LEU A 73 15.758 11.182 -31.287 1.00 24.32 C ATOM 1184 CG LEU A 73 16.131 10.047 -32.242 1.00 55.22 C ATOM 1185 CD1 LEU A 73 17.396 10.391 -33.012 1.00 2.11 C ATOM 1186 CD2 LEU A 73 16.306 8.743 -31.478 1.00 64.24 C ATOM 0 H LEU A 73 15.131 12.419 -29.164 1.00 22.44 H new ATOM 0 HA LEU A 73 17.183 10.459 -29.849 1.00 31.33 H new ATOM 0 HB2 LEU A 73 14.760 10.987 -30.894 1.00 24.32 H new ATOM 0 HB3 LEU A 73 15.699 12.108 -31.860 1.00 24.32 H new ATOM 0 HG LEU A 73 15.319 9.919 -32.958 1.00 55.22 H new ATOM 0 HD11 LEU A 73 17.646 9.572 -33.686 1.00 2.11 H new ATOM 0 HD12 LEU A 73 17.234 11.300 -33.590 1.00 2.11 H new ATOM 0 HD13 LEU A 73 18.217 10.548 -32.312 1.00 2.11 H new ATOM 0 HD21 LEU A 73 16.571 7.947 -32.173 1.00 64.24 H new ATOM 0 HD22 LEU A 73 17.099 8.858 -30.739 1.00 64.24 H new ATOM 0 HD23 LEU A 73 15.374 8.489 -30.974 1.00 64.24 H new ATOM 1198 N ARG A 74 18.944 11.885 -30.908 1.00 12.30 N ATOM 1199 CA ARG A 74 20.062 12.732 -31.307 1.00 74.22 C ATOM 1200 C ARG A 74 20.389 12.539 -32.785 1.00 61.20 C ATOM 1201 O ARG A 74 20.968 11.526 -33.176 1.00 2.21 O ATOM 1202 CB ARG A 74 21.294 12.421 -30.456 1.00 21.10 C ATOM 1203 CG ARG A 74 21.267 13.073 -29.084 1.00 13.45 C ATOM 1204 CD ARG A 74 22.393 12.560 -28.200 1.00 40.11 C ATOM 1205 NE ARG A 74 23.696 13.061 -28.628 1.00 63.04 N ATOM 1206 CZ ARG A 74 24.477 12.429 -29.498 1.00 12.30 C ATOM 1207 NH1 ARG A 74 24.087 11.279 -30.029 1.00 65.43 N ATOM 1208 NH2 ARG A 74 25.649 12.949 -29.838 1.00 65.21 N ATOM 0 H ARG A 74 19.127 10.884 -30.977 1.00 12.30 H new ATOM 0 HA ARG A 74 19.773 13.771 -31.149 1.00 74.22 H new ATOM 0 HB2 ARG A 74 21.378 11.341 -30.334 1.00 21.10 H new ATOM 0 HB3 ARG A 74 22.186 12.752 -30.989 1.00 21.10 H new ATOM 0 HG2 ARG A 74 21.352 14.154 -29.192 1.00 13.45 H new ATOM 0 HG3 ARG A 74 20.308 12.875 -28.605 1.00 13.45 H new ATOM 0 HD2 ARG A 74 22.210 12.861 -27.168 1.00 40.11 H new ATOM 0 HD3 ARG A 74 22.400 11.470 -28.218 1.00 40.11 H new ATOM 0 HE ARG A 74 24.025 13.944 -28.238 1.00 63.04 H new ATOM 0 HH11 ARG A 74 23.186 10.877 -29.770 1.00 65.43 H new ATOM 0 HH12 ARG A 74 24.688 10.796 -30.697 1.00 65.43 H new ATOM 0 HH21 ARG A 74 25.951 13.834 -29.432 1.00 65.21 H new ATOM 0 HH22 ARG A 74 26.248 12.463 -30.506 1.00 65.21 H new ATOM 1222 N GLY A 75 20.013 13.518 -33.602 1.00 41.02 N ATOM 1223 CA GLY A 75 20.275 13.436 -35.027 1.00 54.44 C ATOM 1224 C GLY A 75 19.017 13.178 -35.834 1.00 3.23 C ATOM 1225 O GLY A 75 18.415 12.110 -35.733 1.00 11.34 O ATOM 0 H GLY A 75 19.532 14.366 -33.303 1.00 41.02 H new ATOM 0 HA2 GLY A 75 20.734 14.366 -35.363 1.00 54.44 H new ATOM 0 HA3 GLY A 75 20.994 12.639 -35.216 1.00 54.44 H new ATOM 1229 N GLY A 76 18.618 14.160 -36.636 1.00 45.44 N ATOM 1230 CA GLY A 76 17.425 14.015 -37.450 1.00 4.52 C ATOM 1231 C GLY A 76 16.955 15.335 -38.029 1.00 33.12 C ATOM 1232 O GLY A 76 15.844 15.396 -38.554 1.00 0.22 O ATOM 0 H GLY A 76 19.099 15.054 -36.737 1.00 45.44 H new ATOM 0 HA2 GLY A 76 17.626 13.316 -38.262 1.00 4.52 H new ATOM 0 HA3 GLY A 76 16.627 13.582 -36.846 1.00 4.52 H new TER 1236 GLY A 76