USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 590 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 29 GLN : amide:sc= 0.663 K(o=1.3,f=0.45) USER MOD Set 1.2: A 70 SER OG : rot -110:sc= 0.598 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -41:sc= 0.322 USER MOD Single : A 5 MET CE :methyl 157:sc= -0.191 (180deg=-0.799) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl -168:sc= 0 (180deg=-0.232) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.13) USER MOD Single : A 19 MET CE :methyl 165:sc= -1.53 (180deg=-2.17!) USER MOD Single : A 25 ASN : amide:sc= -0.687 K(o=-0.69,f=-1.8) USER MOD Single : A 30 HIS : no HE2:sc= -1.02 K(o=-1,f=-3.8) USER MOD Single : A 31 SER OG : rot -135:sc= 1 USER MOD Single : A 35 THR OG1 : rot -91:sc= 0.0688 USER MOD Single : A 51 SER OG : rot 42:sc= 0.5 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -123:sc= 0.862 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.384 K(o=0.38,f=-0.89) USER MOD Single : A 62 HIS : no HE2:sc= -0.162 K(o=-0.16,f=-4.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 69 LYS NZ :NH3+ 174:sc=-0.00858 (180deg=-0.0743) USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00556) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.898 K(o=-0.9,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.945 -10.973 -4.325 1.00 22.30 N ATOM 2 CA GLY A 1 2.831 -10.018 -4.133 1.00 34.43 C ATOM 3 C GLY A 1 1.569 -10.489 -4.831 1.00 54.31 C ATOM 4 O GLY A 1 1.537 -10.532 -6.061 1.00 35.32 O ATOM 0 H1 GLY A 1 4.792 -10.621 -3.835 1.00 22.30 H new ATOM 0 H2 GLY A 1 3.679 -11.900 -3.934 1.00 22.30 H new ATOM 0 H3 GLY A 1 4.148 -11.071 -5.340 1.00 22.30 H new ATOM 0 HA2 GLY A 1 2.635 -9.895 -3.068 1.00 34.43 H new ATOM 0 HA3 GLY A 1 3.118 -9.040 -4.519 1.00 34.43 H new ATOM 10 N PRO A 2 0.513 -10.859 -4.070 1.00 3.42 N ATOM 11 CA PRO A 2 -0.747 -11.369 -4.637 1.00 42.11 C ATOM 12 C PRO A 2 -1.268 -10.503 -5.788 1.00 52.42 C ATOM 13 O PRO A 2 -1.902 -9.465 -5.570 1.00 55.43 O ATOM 14 CB PRO A 2 -1.711 -11.335 -3.442 1.00 10.24 C ATOM 15 CG PRO A 2 -0.826 -11.511 -2.254 1.00 41.31 C ATOM 16 CD PRO A 2 0.465 -10.808 -2.592 1.00 31.52 C ATOM 0 HA PRO A 2 -0.628 -12.360 -5.074 1.00 42.11 H new ATOM 0 HB2 PRO A 2 -2.256 -10.392 -3.397 1.00 10.24 H new ATOM 0 HB3 PRO A 2 -2.454 -12.130 -3.507 1.00 10.24 H new ATOM 0 HG2 PRO A 2 -1.281 -11.083 -1.361 1.00 41.31 H new ATOM 0 HG3 PRO A 2 -0.653 -12.567 -2.049 1.00 41.31 H new ATOM 0 HD2 PRO A 2 0.470 -9.781 -2.226 1.00 31.52 H new ATOM 0 HD3 PRO A 2 1.323 -11.310 -2.146 1.00 31.52 H new ATOM 24 N GLY A 3 -0.966 -10.924 -7.008 1.00 45.01 N ATOM 25 CA GLY A 3 -1.366 -10.187 -8.189 1.00 21.14 C ATOM 26 C GLY A 3 -0.564 -10.610 -9.404 1.00 63.20 C ATOM 27 O GLY A 3 0.315 -11.473 -9.296 1.00 32.45 O ATOM 0 H GLY A 3 -0.442 -11.777 -7.202 1.00 45.01 H new ATOM 0 HA2 GLY A 3 -2.427 -10.348 -8.378 1.00 21.14 H new ATOM 0 HA3 GLY A 3 -1.231 -9.119 -8.016 1.00 21.14 H new ATOM 31 N SER A 4 -0.871 -10.017 -10.559 1.00 33.30 N ATOM 32 CA SER A 4 -0.184 -10.329 -11.815 1.00 22.20 C ATOM 33 C SER A 4 -0.420 -11.793 -12.219 1.00 43.34 C ATOM 34 O SER A 4 0.232 -12.322 -13.122 1.00 12.55 O ATOM 35 CB SER A 4 1.320 -10.026 -11.692 1.00 64.22 C ATOM 36 OG SER A 4 1.966 -10.051 -12.956 1.00 5.04 O ATOM 0 H SER A 4 -1.600 -9.309 -10.651 1.00 33.30 H new ATOM 0 HA SER A 4 -0.597 -9.697 -12.601 1.00 22.20 H new ATOM 0 HB2 SER A 4 1.458 -9.047 -11.232 1.00 64.22 H new ATOM 0 HB3 SER A 4 1.786 -10.757 -11.031 1.00 64.22 H new ATOM 0 HG SER A 4 1.622 -10.801 -13.484 1.00 5.04 H new ATOM 42 N MET A 5 -1.384 -12.431 -11.563 1.00 14.31 N ATOM 43 CA MET A 5 -1.710 -13.831 -11.817 1.00 21.41 C ATOM 44 C MET A 5 -2.807 -13.909 -12.882 1.00 3.22 C ATOM 45 O MET A 5 -3.741 -14.714 -12.792 1.00 24.55 O ATOM 46 CB MET A 5 -2.158 -14.497 -10.502 1.00 54.22 C ATOM 47 CG MET A 5 -2.334 -16.008 -10.584 1.00 4.32 C ATOM 48 SD MET A 5 -2.923 -16.723 -9.035 1.00 52.35 S ATOM 49 CE MET A 5 -4.500 -15.890 -8.844 1.00 62.22 C ATOM 0 H MET A 5 -1.960 -11.995 -10.843 1.00 14.31 H new ATOM 0 HA MET A 5 -0.834 -14.363 -12.188 1.00 21.41 H new ATOM 0 HB2 MET A 5 -1.425 -14.271 -9.728 1.00 54.22 H new ATOM 0 HB3 MET A 5 -3.102 -14.051 -10.187 1.00 54.22 H new ATOM 0 HG2 MET A 5 -3.039 -16.245 -11.381 1.00 4.32 H new ATOM 0 HG3 MET A 5 -1.383 -16.467 -10.853 1.00 4.32 H new ATOM 0 HE1 MET A 5 -5.150 -16.485 -8.202 1.00 62.22 H new ATOM 0 HE2 MET A 5 -4.342 -14.911 -8.393 1.00 62.22 H new ATOM 0 HE3 MET A 5 -4.968 -15.768 -9.821 1.00 62.22 H new ATOM 59 N LYS A 6 -2.684 -13.059 -13.897 1.00 60.02 N ATOM 60 CA LYS A 6 -3.672 -12.972 -14.964 1.00 0.51 C ATOM 61 C LYS A 6 -3.580 -14.195 -15.878 1.00 20.35 C ATOM 62 O LYS A 6 -2.974 -14.148 -16.950 1.00 72.41 O ATOM 63 CB LYS A 6 -3.480 -11.674 -15.767 1.00 22.24 C ATOM 64 CG LYS A 6 -4.497 -11.478 -16.892 1.00 51.21 C ATOM 65 CD LYS A 6 -5.923 -11.341 -16.362 1.00 43.02 C ATOM 66 CE LYS A 6 -6.108 -10.065 -15.545 1.00 42.41 C ATOM 67 NZ LYS A 6 -7.483 -9.957 -14.990 1.00 41.11 N ATOM 0 H LYS A 6 -1.900 -12.415 -14.002 1.00 60.02 H new ATOM 0 HA LYS A 6 -4.666 -12.954 -14.518 1.00 0.51 H new ATOM 0 HB2 LYS A 6 -3.541 -10.826 -15.085 1.00 22.24 H new ATOM 0 HB3 LYS A 6 -2.477 -11.669 -16.194 1.00 22.24 H new ATOM 0 HG2 LYS A 6 -4.237 -10.588 -17.464 1.00 51.21 H new ATOM 0 HG3 LYS A 6 -4.446 -12.324 -17.578 1.00 51.21 H new ATOM 0 HD2 LYS A 6 -6.622 -11.341 -17.198 1.00 43.02 H new ATOM 0 HD3 LYS A 6 -6.165 -12.206 -15.744 1.00 43.02 H new ATOM 0 HE2 LYS A 6 -5.385 -10.048 -14.730 1.00 42.41 H new ATOM 0 HE3 LYS A 6 -5.901 -9.199 -16.173 1.00 42.41 H new ATOM 0 HZ1 LYS A 6 -7.568 -9.077 -14.442 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 -8.172 -9.948 -15.769 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 -7.672 -10.771 -14.370 1.00 41.11 H new ATOM 81 N ILE A 7 -4.158 -15.300 -15.424 1.00 20.42 N ATOM 82 CA ILE A 7 -4.184 -16.533 -16.198 1.00 44.41 C ATOM 83 C ILE A 7 -5.453 -16.583 -17.042 1.00 2.01 C ATOM 84 O ILE A 7 -6.513 -16.989 -16.562 1.00 74.52 O ATOM 85 CB ILE A 7 -4.116 -17.788 -15.287 1.00 64.54 C ATOM 86 CG1 ILE A 7 -2.852 -17.743 -14.410 1.00 73.53 C ATOM 87 CG2 ILE A 7 -4.139 -19.064 -16.129 1.00 60.11 C ATOM 88 CD1 ILE A 7 -2.716 -18.918 -13.460 1.00 33.43 C ATOM 0 H ILE A 7 -4.618 -15.366 -14.516 1.00 20.42 H new ATOM 0 HA ILE A 7 -3.305 -16.539 -16.843 1.00 44.41 H new ATOM 0 HB ILE A 7 -4.990 -17.792 -14.636 1.00 64.54 H new ATOM 0 HG12 ILE A 7 -1.975 -17.709 -15.057 1.00 73.53 H new ATOM 0 HG13 ILE A 7 -2.857 -16.820 -13.831 1.00 73.53 H new ATOM 0 HG21 ILE A 7 -4.091 -19.933 -15.473 1.00 60.11 H new ATOM 0 HG22 ILE A 7 -5.060 -19.099 -16.711 1.00 60.11 H new ATOM 0 HG23 ILE A 7 -3.283 -19.070 -16.804 1.00 60.11 H new ATOM 0 HD11 ILE A 7 -1.800 -18.812 -12.878 1.00 33.43 H new ATOM 0 HD12 ILE A 7 -3.573 -18.943 -12.787 1.00 33.43 H new ATOM 0 HD13 ILE A 7 -2.677 -19.845 -14.032 1.00 33.43 H new ATOM 100 N MET A 8 -5.347 -16.130 -18.286 1.00 64.41 N ATOM 101 CA MET A 8 -6.475 -16.136 -19.220 1.00 24.40 C ATOM 102 C MET A 8 -6.631 -17.524 -19.842 1.00 34.32 C ATOM 103 O MET A 8 -6.738 -17.653 -21.062 1.00 33.34 O ATOM 104 CB MET A 8 -6.252 -15.087 -20.327 1.00 14.01 C ATOM 105 CG MET A 8 -6.164 -13.650 -19.829 1.00 51.13 C ATOM 106 SD MET A 8 -5.827 -12.481 -21.165 1.00 50.30 S ATOM 107 CE MET A 8 -5.847 -10.922 -20.283 1.00 14.20 C ATOM 0 H MET A 8 -4.485 -15.750 -18.677 1.00 64.41 H new ATOM 0 HA MET A 8 -7.385 -15.886 -18.674 1.00 24.40 H new ATOM 0 HB2 MET A 8 -5.333 -15.330 -20.860 1.00 14.01 H new ATOM 0 HB3 MET A 8 -7.067 -15.159 -21.047 1.00 14.01 H new ATOM 0 HG2 MET A 8 -7.100 -13.379 -19.340 1.00 51.13 H new ATOM 0 HG3 MET A 8 -5.378 -13.576 -19.077 1.00 51.13 H new ATOM 0 HE1 MET A 8 -5.867 -10.100 -20.998 1.00 14.20 H new ATOM 0 HE2 MET A 8 -6.733 -10.874 -19.649 1.00 14.20 H new ATOM 0 HE3 MET A 8 -4.953 -10.843 -19.664 1.00 14.20 H new ATOM 117 N SER A 9 -6.650 -18.553 -18.987 1.00 52.42 N ATOM 118 CA SER A 9 -6.639 -19.957 -19.413 1.00 41.40 C ATOM 119 C SER A 9 -5.253 -20.353 -19.941 1.00 52.44 C ATOM 120 O SER A 9 -4.765 -21.453 -19.671 1.00 2.24 O ATOM 121 CB SER A 9 -7.739 -20.230 -20.450 1.00 11.15 C ATOM 122 OG SER A 9 -9.013 -19.858 -19.937 1.00 3.21 O ATOM 0 H SER A 9 -6.674 -18.434 -17.974 1.00 52.42 H new ATOM 0 HA SER A 9 -6.853 -20.579 -18.544 1.00 41.40 H new ATOM 0 HB2 SER A 9 -7.532 -19.673 -21.364 1.00 11.15 H new ATOM 0 HB3 SER A 9 -7.742 -21.287 -20.715 1.00 11.15 H new ATOM 0 HG SER A 9 -9.702 -20.037 -20.611 1.00 3.21 H new ATOM 128 N ASP A 10 -4.623 -19.450 -20.688 1.00 5.42 N ATOM 129 CA ASP A 10 -3.236 -19.620 -21.100 1.00 71.14 C ATOM 130 C ASP A 10 -2.339 -19.692 -19.870 1.00 13.53 C ATOM 131 O ASP A 10 -2.228 -18.721 -19.119 1.00 34.12 O ATOM 132 CB ASP A 10 -2.787 -18.452 -21.992 1.00 24.34 C ATOM 133 CG ASP A 10 -3.588 -18.342 -23.277 1.00 63.12 C ATOM 134 OD1 ASP A 10 -4.724 -17.828 -23.230 1.00 35.34 O ATOM 135 OD2 ASP A 10 -3.084 -18.759 -24.339 1.00 0.04 O ATOM 0 H ASP A 10 -5.056 -18.589 -21.021 1.00 5.42 H new ATOM 0 HA ASP A 10 -3.156 -20.546 -21.669 1.00 71.14 H new ATOM 0 HB2 ASP A 10 -2.878 -17.520 -21.433 1.00 24.34 H new ATOM 0 HB3 ASP A 10 -1.732 -18.575 -22.238 1.00 24.34 H new ATOM 140 N ASN A 11 -1.726 -20.850 -19.653 1.00 24.23 N ATOM 141 CA ASN A 11 -0.795 -21.043 -18.543 1.00 34.43 C ATOM 142 C ASN A 11 0.643 -21.037 -19.070 1.00 13.01 C ATOM 143 O ASN A 11 1.148 -22.068 -19.512 1.00 54.04 O ATOM 144 CB ASN A 11 -1.092 -22.365 -17.811 1.00 22.21 C ATOM 145 CG ASN A 11 -2.368 -22.323 -16.981 1.00 23.50 C ATOM 146 OD1 ASN A 11 -2.338 -22.032 -15.785 1.00 72.51 O ATOM 147 ND2 ASN A 11 -3.498 -22.615 -17.607 1.00 70.34 N ATOM 0 H ASN A 11 -1.857 -21.677 -20.236 1.00 24.23 H new ATOM 0 HA ASN A 11 -0.918 -20.226 -17.832 1.00 34.43 H new ATOM 0 HB2 ASN A 11 -1.170 -23.168 -18.544 1.00 22.21 H new ATOM 0 HB3 ASN A 11 -0.252 -22.608 -17.160 1.00 22.21 H new ATOM 0 HD21 ASN A 11 -4.381 -22.603 -17.097 1.00 70.34 H new ATOM 0 HD22 ASN A 11 -3.485 -22.852 -18.599 1.00 70.34 H new ATOM 154 N PRO A 12 1.324 -19.872 -19.033 1.00 75.11 N ATOM 155 CA PRO A 12 2.678 -19.728 -19.595 1.00 13.21 C ATOM 156 C PRO A 12 3.695 -20.617 -18.883 1.00 32.31 C ATOM 157 O PRO A 12 4.666 -21.086 -19.481 1.00 35.35 O ATOM 158 CB PRO A 12 3.019 -18.243 -19.366 1.00 12.34 C ATOM 159 CG PRO A 12 1.714 -17.571 -19.083 1.00 23.15 C ATOM 160 CD PRO A 12 0.838 -18.613 -18.441 1.00 32.52 C ATOM 0 HA PRO A 12 2.711 -20.026 -20.643 1.00 13.21 H new ATOM 0 HB2 PRO A 12 3.711 -18.124 -18.532 1.00 12.34 H new ATOM 0 HB3 PRO A 12 3.500 -17.811 -20.244 1.00 12.34 H new ATOM 0 HG2 PRO A 12 1.852 -16.716 -18.421 1.00 23.15 H new ATOM 0 HG3 PRO A 12 1.263 -17.194 -20.001 1.00 23.15 H new ATOM 0 HD2 PRO A 12 0.940 -18.612 -17.356 1.00 32.52 H new ATOM 0 HD3 PRO A 12 -0.216 -18.445 -18.662 1.00 32.52 H new ATOM 168 N PHE A 13 3.458 -20.846 -17.600 1.00 55.21 N ATOM 169 CA PHE A 13 4.384 -21.599 -16.758 1.00 54.02 C ATOM 170 C PHE A 13 4.058 -23.092 -16.798 1.00 42.42 C ATOM 171 O PHE A 13 4.662 -23.891 -16.078 1.00 10.34 O ATOM 172 CB PHE A 13 4.317 -21.069 -15.317 1.00 54.21 C ATOM 173 CG PHE A 13 4.360 -19.559 -15.230 1.00 45.45 C ATOM 174 CD1 PHE A 13 5.571 -18.880 -15.236 1.00 71.32 C ATOM 175 CD2 PHE A 13 3.186 -18.818 -15.152 1.00 72.33 C ATOM 176 CE1 PHE A 13 5.614 -17.500 -15.165 1.00 63.22 C ATOM 177 CE2 PHE A 13 3.225 -17.437 -15.080 1.00 73.14 C ATOM 178 CZ PHE A 13 4.439 -16.778 -15.086 1.00 55.23 C ATOM 0 H PHE A 13 2.624 -20.518 -17.113 1.00 55.21 H new ATOM 0 HA PHE A 13 5.397 -21.467 -17.139 1.00 54.02 H new ATOM 0 HB2 PHE A 13 3.400 -21.427 -14.848 1.00 54.21 H new ATOM 0 HB3 PHE A 13 5.149 -21.482 -14.747 1.00 54.21 H new ATOM 0 HD1 PHE A 13 6.493 -19.438 -15.297 1.00 71.32 H new ATOM 0 HD2 PHE A 13 2.233 -19.326 -15.148 1.00 72.33 H new ATOM 0 HE1 PHE A 13 6.565 -16.987 -15.171 1.00 63.22 H new ATOM 0 HE2 PHE A 13 2.306 -16.874 -15.019 1.00 73.14 H new ATOM 0 HZ PHE A 13 4.469 -15.700 -15.029 1.00 55.23 H new ATOM 188 N ASP A 14 3.096 -23.455 -17.645 1.00 61.43 N ATOM 189 CA ASP A 14 2.676 -24.849 -17.810 1.00 1.10 C ATOM 190 C ASP A 14 3.174 -25.392 -19.152 1.00 23.42 C ATOM 191 O ASP A 14 3.131 -26.598 -19.404 1.00 64.53 O ATOM 192 CB ASP A 14 1.145 -24.941 -17.726 1.00 24.22 C ATOM 193 CG ASP A 14 0.604 -26.366 -17.821 1.00 25.23 C ATOM 194 OD1 ASP A 14 0.650 -27.095 -16.807 1.00 35.14 O ATOM 195 OD2 ASP A 14 0.092 -26.746 -18.897 1.00 35.13 O ATOM 0 H ASP A 14 2.587 -22.796 -18.234 1.00 61.43 H new ATOM 0 HA ASP A 14 3.109 -25.453 -17.012 1.00 1.10 H new ATOM 0 HB2 ASP A 14 0.815 -24.500 -16.785 1.00 24.22 H new ATOM 0 HB3 ASP A 14 0.710 -24.344 -18.528 1.00 24.22 H new ATOM 200 N ASP A 15 3.663 -24.484 -20.005 1.00 24.15 N ATOM 201 CA ASP A 15 4.168 -24.848 -21.333 1.00 22.14 C ATOM 202 C ASP A 15 5.364 -25.789 -21.197 1.00 33.41 C ATOM 203 O ASP A 15 6.170 -25.647 -20.277 1.00 21.43 O ATOM 204 CB ASP A 15 4.567 -23.593 -22.126 1.00 33.54 C ATOM 205 CG ASP A 15 4.814 -23.885 -23.602 1.00 71.14 C ATOM 206 OD1 ASP A 15 5.895 -24.406 -23.945 1.00 4.14 O ATOM 207 OD2 ASP A 15 3.921 -23.597 -24.432 1.00 14.35 O ATOM 0 H ASP A 15 3.719 -23.487 -19.797 1.00 24.15 H new ATOM 0 HA ASP A 15 3.374 -25.359 -21.878 1.00 22.14 H new ATOM 0 HB2 ASP A 15 3.780 -22.845 -22.034 1.00 33.54 H new ATOM 0 HB3 ASP A 15 5.468 -23.163 -21.689 1.00 33.54 H new ATOM 212 N GLU A 16 5.484 -26.737 -22.117 1.00 64.42 N ATOM 213 CA GLU A 16 6.455 -27.818 -21.979 1.00 72.15 C ATOM 214 C GLU A 16 7.849 -27.427 -22.472 1.00 0.22 C ATOM 215 O GLU A 16 8.845 -28.046 -22.077 1.00 14.11 O ATOM 216 CB GLU A 16 5.960 -29.060 -22.722 1.00 10.52 C ATOM 217 CG GLU A 16 5.760 -28.857 -24.218 1.00 35.24 C ATOM 218 CD GLU A 16 5.334 -30.137 -24.915 1.00 43.11 C ATOM 219 OE1 GLU A 16 6.153 -31.081 -24.976 1.00 60.31 O ATOM 220 OE2 GLU A 16 4.194 -30.205 -25.421 1.00 71.15 O ATOM 0 H GLU A 16 4.922 -26.781 -22.967 1.00 64.42 H new ATOM 0 HA GLU A 16 6.546 -28.035 -20.915 1.00 72.15 H new ATOM 0 HB2 GLU A 16 6.674 -29.869 -22.569 1.00 10.52 H new ATOM 0 HB3 GLU A 16 5.016 -29.381 -22.281 1.00 10.52 H new ATOM 0 HG2 GLU A 16 5.006 -28.087 -24.382 1.00 35.24 H new ATOM 0 HG3 GLU A 16 6.687 -28.494 -24.662 1.00 35.24 H new ATOM 227 N ASP A 17 7.923 -26.410 -23.324 1.00 22.24 N ATOM 228 CA ASP A 17 9.197 -26.017 -23.935 1.00 3.22 C ATOM 229 C ASP A 17 10.032 -25.158 -22.989 1.00 74.54 C ATOM 230 O ASP A 17 11.258 -25.087 -23.122 1.00 14.22 O ATOM 231 CB ASP A 17 8.962 -25.267 -25.251 1.00 73.41 C ATOM 232 CG ASP A 17 10.263 -24.924 -25.965 1.00 11.32 C ATOM 233 OD1 ASP A 17 10.911 -25.849 -26.505 1.00 74.33 O ATOM 234 OD2 ASP A 17 10.640 -23.728 -26.004 1.00 23.03 O ATOM 0 H ASP A 17 7.124 -25.843 -23.609 1.00 22.24 H new ATOM 0 HA ASP A 17 9.751 -26.932 -24.143 1.00 3.22 H new ATOM 0 HB2 ASP A 17 8.341 -25.876 -25.907 1.00 73.41 H new ATOM 0 HB3 ASP A 17 8.409 -24.350 -25.049 1.00 73.41 H new ATOM 239 N GLY A 18 9.374 -24.511 -22.032 1.00 22.32 N ATOM 240 CA GLY A 18 10.088 -23.710 -21.060 1.00 55.12 C ATOM 241 C GLY A 18 10.781 -24.578 -20.034 1.00 21.01 C ATOM 242 O GLY A 18 10.202 -25.554 -19.553 1.00 22.31 O ATOM 0 H GLY A 18 8.361 -24.528 -21.914 1.00 22.32 H new ATOM 0 HA2 GLY A 18 10.824 -23.087 -21.569 1.00 55.12 H new ATOM 0 HA3 GLY A 18 9.392 -23.037 -20.559 1.00 55.12 H new ATOM 246 N MET A 19 12.022 -24.243 -19.706 1.00 71.05 N ATOM 247 CA MET A 19 12.772 -25.007 -18.716 1.00 33.54 C ATOM 248 C MET A 19 12.481 -24.449 -17.322 1.00 63.41 C ATOM 249 O MET A 19 12.620 -23.246 -17.087 1.00 61.02 O ATOM 250 CB MET A 19 14.280 -24.933 -19.017 1.00 64.03 C ATOM 251 CG MET A 19 14.639 -25.221 -20.476 1.00 15.00 C ATOM 252 SD MET A 19 14.584 -26.976 -20.891 1.00 45.42 S ATOM 253 CE MET A 19 16.059 -27.564 -20.061 1.00 24.42 C ATOM 0 H MET A 19 12.528 -23.453 -20.107 1.00 71.05 H new ATOM 0 HA MET A 19 12.465 -26.052 -18.757 1.00 33.54 H new ATOM 0 HB2 MET A 19 14.644 -23.940 -18.753 1.00 64.03 H new ATOM 0 HB3 MET A 19 14.803 -25.644 -18.378 1.00 64.03 H new ATOM 0 HG2 MET A 19 13.952 -24.679 -21.126 1.00 15.00 H new ATOM 0 HG3 MET A 19 15.639 -24.838 -20.679 1.00 15.00 H new ATOM 0 HE1 MET A 19 16.029 -28.651 -19.993 1.00 24.42 H new ATOM 0 HE2 MET A 19 16.940 -27.260 -20.626 1.00 24.42 H new ATOM 0 HE3 MET A 19 16.106 -27.139 -19.058 1.00 24.42 H new ATOM 263 N PHE A 20 12.077 -25.320 -16.402 1.00 61.25 N ATOM 264 CA PHE A 20 11.725 -24.912 -15.042 1.00 32.04 C ATOM 265 C PHE A 20 12.470 -25.790 -14.035 1.00 71.52 C ATOM 266 O PHE A 20 12.819 -26.928 -14.343 1.00 70.12 O ATOM 267 CB PHE A 20 10.204 -25.038 -14.803 1.00 3.13 C ATOM 268 CG PHE A 20 9.335 -24.630 -15.974 1.00 61.03 C ATOM 269 CD1 PHE A 20 9.517 -23.413 -16.622 1.00 54.41 C ATOM 270 CD2 PHE A 20 8.328 -25.472 -16.423 1.00 44.04 C ATOM 271 CE1 PHE A 20 8.719 -23.056 -17.694 1.00 24.51 C ATOM 272 CE2 PHE A 20 7.529 -25.113 -17.490 1.00 71.41 C ATOM 273 CZ PHE A 20 7.723 -23.906 -18.124 1.00 15.24 C ATOM 0 H PHE A 20 11.984 -26.321 -16.574 1.00 61.25 H new ATOM 0 HA PHE A 20 12.012 -23.869 -14.912 1.00 32.04 H new ATOM 0 HB2 PHE A 20 9.977 -26.072 -14.545 1.00 3.13 H new ATOM 0 HB3 PHE A 20 9.935 -24.428 -13.941 1.00 3.13 H new ATOM 0 HD1 PHE A 20 10.290 -22.739 -16.284 1.00 54.41 H new ATOM 0 HD2 PHE A 20 8.167 -26.420 -15.932 1.00 44.04 H new ATOM 0 HE1 PHE A 20 8.876 -22.112 -18.194 1.00 24.51 H new ATOM 0 HE2 PHE A 20 6.750 -25.780 -17.828 1.00 71.41 H new ATOM 0 HZ PHE A 20 7.095 -23.626 -18.957 1.00 15.24 H new ATOM 283 N PHE A 21 12.709 -25.268 -12.839 1.00 10.12 N ATOM 284 CA PHE A 21 13.401 -26.020 -11.791 1.00 12.01 C ATOM 285 C PHE A 21 12.447 -26.373 -10.657 1.00 31.14 C ATOM 286 O PHE A 21 11.455 -25.682 -10.428 1.00 62.34 O ATOM 287 CB PHE A 21 14.615 -25.238 -11.245 1.00 11.41 C ATOM 288 CG PHE A 21 14.547 -23.745 -11.432 1.00 11.11 C ATOM 289 CD1 PHE A 21 15.003 -23.166 -12.606 1.00 12.25 C ATOM 290 CD2 PHE A 21 14.052 -22.921 -10.433 1.00 14.31 C ATOM 291 CE1 PHE A 21 14.960 -21.799 -12.780 1.00 70.43 C ATOM 292 CE2 PHE A 21 14.011 -21.550 -10.604 1.00 22.23 C ATOM 293 CZ PHE A 21 14.466 -20.989 -11.778 1.00 73.54 C ATOM 0 H PHE A 21 12.434 -24.324 -12.566 1.00 10.12 H new ATOM 0 HA PHE A 21 13.767 -26.944 -12.239 1.00 12.01 H new ATOM 0 HB2 PHE A 21 14.717 -25.451 -10.181 1.00 11.41 H new ATOM 0 HB3 PHE A 21 15.516 -25.609 -11.732 1.00 11.41 H new ATOM 0 HD1 PHE A 21 15.396 -23.793 -13.393 1.00 12.25 H new ATOM 0 HD2 PHE A 21 13.694 -23.355 -9.511 1.00 14.31 H new ATOM 0 HE1 PHE A 21 15.313 -21.361 -13.702 1.00 70.43 H new ATOM 0 HE2 PHE A 21 13.623 -20.919 -9.818 1.00 22.23 H new ATOM 0 HZ PHE A 21 14.436 -19.918 -11.913 1.00 73.54 H new ATOM 303 N VAL A 22 12.757 -27.455 -9.949 1.00 32.43 N ATOM 304 CA VAL A 22 11.946 -27.905 -8.831 1.00 52.22 C ATOM 305 C VAL A 22 12.670 -27.576 -7.533 1.00 31.51 C ATOM 306 O VAL A 22 13.864 -27.881 -7.386 1.00 75.34 O ATOM 307 CB VAL A 22 11.648 -29.430 -8.910 1.00 44.01 C ATOM 308 CG1 VAL A 22 10.778 -29.887 -7.738 1.00 24.52 C ATOM 309 CG2 VAL A 22 10.987 -29.776 -10.247 1.00 1.01 C ATOM 0 H VAL A 22 13.573 -28.039 -10.135 1.00 32.43 H new ATOM 0 HA VAL A 22 10.987 -27.388 -8.868 1.00 52.22 H new ATOM 0 HB VAL A 22 12.596 -29.964 -8.844 1.00 44.01 H new ATOM 0 HG11 VAL A 22 10.587 -30.957 -7.822 1.00 24.52 H new ATOM 0 HG12 VAL A 22 11.295 -29.683 -6.800 1.00 24.52 H new ATOM 0 HG13 VAL A 22 9.831 -29.347 -7.756 1.00 24.52 H new ATOM 0 HG21 VAL A 22 10.785 -30.846 -10.287 1.00 1.01 H new ATOM 0 HG22 VAL A 22 10.051 -29.226 -10.343 1.00 1.01 H new ATOM 0 HG23 VAL A 22 11.654 -29.502 -11.064 1.00 1.01 H new ATOM 319 N LEU A 23 11.949 -26.925 -6.619 1.00 13.42 N ATOM 320 CA LEU A 23 12.512 -26.454 -5.353 1.00 60.42 C ATOM 321 C LEU A 23 11.915 -27.233 -4.178 1.00 65.53 C ATOM 322 O LEU A 23 10.984 -28.028 -4.357 1.00 63.14 O ATOM 323 CB LEU A 23 12.212 -24.958 -5.167 1.00 73.02 C ATOM 324 CG LEU A 23 12.599 -24.046 -6.341 1.00 31.12 C ATOM 325 CD1 LEU A 23 12.130 -22.615 -6.091 1.00 65.11 C ATOM 326 CD2 LEU A 23 14.098 -24.076 -6.591 1.00 32.23 C ATOM 0 H LEU A 23 10.959 -26.710 -6.736 1.00 13.42 H new ATOM 0 HA LEU A 23 13.590 -26.613 -5.379 1.00 60.42 H new ATOM 0 HB2 LEU A 23 11.145 -24.842 -4.978 1.00 73.02 H new ATOM 0 HB3 LEU A 23 12.733 -24.611 -4.275 1.00 73.02 H new ATOM 0 HG LEU A 23 12.100 -24.425 -7.233 1.00 31.12 H new ATOM 0 HD11 LEU A 23 12.414 -21.986 -6.935 1.00 65.11 H new ATOM 0 HD12 LEU A 23 11.046 -22.602 -5.978 1.00 65.11 H new ATOM 0 HD13 LEU A 23 12.594 -22.234 -5.182 1.00 65.11 H new ATOM 0 HD21 LEU A 23 14.341 -23.421 -7.428 1.00 32.23 H new ATOM 0 HD22 LEU A 23 14.623 -23.734 -5.699 1.00 32.23 H new ATOM 0 HD23 LEU A 23 14.407 -25.094 -6.826 1.00 32.23 H new ATOM 338 N ILE A 24 12.436 -26.982 -2.976 1.00 4.03 N ATOM 339 CA ILE A 24 11.935 -27.629 -1.768 1.00 14.44 C ATOM 340 C ILE A 24 12.150 -26.734 -0.544 1.00 20.22 C ATOM 341 O ILE A 24 13.137 -25.995 -0.467 1.00 63.42 O ATOM 342 CB ILE A 24 12.626 -29.001 -1.536 1.00 41.31 C ATOM 343 CG1 ILE A 24 11.842 -29.865 -0.541 1.00 51.34 C ATOM 344 CG2 ILE A 24 14.059 -28.812 -1.043 1.00 63.03 C ATOM 345 CD1 ILE A 24 12.486 -31.210 -0.279 1.00 72.04 C ATOM 0 H ILE A 24 13.207 -26.333 -2.816 1.00 4.03 H new ATOM 0 HA ILE A 24 10.867 -27.796 -1.907 1.00 14.44 H new ATOM 0 HB ILE A 24 12.647 -29.518 -2.495 1.00 41.31 H new ATOM 0 HG12 ILE A 24 11.747 -29.326 0.401 1.00 51.34 H new ATOM 0 HG13 ILE A 24 10.833 -30.021 -0.922 1.00 51.34 H new ATOM 0 HG21 ILE A 24 14.522 -29.787 -0.888 1.00 63.03 H new ATOM 0 HG22 ILE A 24 14.629 -28.254 -1.786 1.00 63.03 H new ATOM 0 HG23 ILE A 24 14.051 -28.260 -0.103 1.00 63.03 H new ATOM 0 HD11 ILE A 24 11.881 -31.771 0.433 1.00 72.04 H new ATOM 0 HD12 ILE A 24 12.557 -31.768 -1.213 1.00 72.04 H new ATOM 0 HD13 ILE A 24 13.485 -31.061 0.131 1.00 72.04 H new ATOM 357 N ASN A 25 11.209 -26.788 0.399 1.00 75.55 N ATOM 358 CA ASN A 25 11.340 -26.080 1.674 1.00 14.42 C ATOM 359 C ASN A 25 11.629 -27.074 2.791 1.00 33.01 C ATOM 360 O ASN A 25 11.284 -28.255 2.671 1.00 70.04 O ATOM 361 CB ASN A 25 10.068 -25.291 2.012 1.00 41.24 C ATOM 362 CG ASN A 25 10.160 -24.564 3.349 1.00 20.01 C ATOM 363 OD1 ASN A 25 9.780 -25.106 4.390 1.00 54.42 O ATOM 364 ND2 ASN A 25 10.682 -23.350 3.338 1.00 44.54 N ATOM 0 H ASN A 25 10.343 -27.318 0.303 1.00 75.55 H new ATOM 0 HA ASN A 25 12.166 -25.375 1.580 1.00 14.42 H new ATOM 0 HB2 ASN A 25 9.876 -24.565 1.222 1.00 41.24 H new ATOM 0 HB3 ASN A 25 9.218 -25.973 2.032 1.00 41.24 H new ATOM 0 HD21 ASN A 25 10.781 -22.830 4.210 1.00 44.54 H new ATOM 0 HD22 ASN A 25 10.985 -22.933 2.458 1.00 44.54 H new ATOM 371 N ASP A 26 12.195 -26.550 3.884 1.00 0.51 N ATOM 372 CA ASP A 26 12.701 -27.327 5.033 1.00 41.45 C ATOM 373 C ASP A 26 11.814 -28.516 5.380 1.00 23.42 C ATOM 374 O ASP A 26 12.302 -29.628 5.601 1.00 60.33 O ATOM 375 CB ASP A 26 12.817 -26.426 6.270 1.00 15.32 C ATOM 376 CG ASP A 26 13.773 -25.260 6.078 1.00 11.14 C ATOM 377 OD1 ASP A 26 13.533 -24.425 5.179 1.00 61.30 O ATOM 378 OD2 ASP A 26 14.753 -25.152 6.849 1.00 61.45 O ATOM 0 H ASP A 26 12.320 -25.545 4.002 1.00 0.51 H new ATOM 0 HA ASP A 26 13.678 -27.710 4.739 1.00 41.45 H new ATOM 0 HB2 ASP A 26 11.830 -26.039 6.523 1.00 15.32 H new ATOM 0 HB3 ASP A 26 13.151 -27.025 7.117 1.00 15.32 H new ATOM 383 N GLU A 27 10.507 -28.285 5.405 1.00 22.54 N ATOM 384 CA GLU A 27 9.534 -29.327 5.729 1.00 61.02 C ATOM 385 C GLU A 27 9.348 -30.289 4.554 1.00 61.13 C ATOM 386 O GLU A 27 8.300 -30.927 4.426 1.00 71.33 O ATOM 387 CB GLU A 27 8.198 -28.679 6.108 1.00 25.02 C ATOM 388 CG GLU A 27 8.276 -27.795 7.350 1.00 4.32 C ATOM 389 CD GLU A 27 8.739 -28.556 8.585 1.00 34.53 C ATOM 390 OE1 GLU A 27 7.901 -29.230 9.221 1.00 24.01 O ATOM 391 OE2 GLU A 27 9.938 -28.486 8.924 1.00 73.21 O ATOM 0 H GLU A 27 10.091 -27.376 5.203 1.00 22.54 H new ATOM 0 HA GLU A 27 9.908 -29.904 6.575 1.00 61.02 H new ATOM 0 HB2 GLU A 27 7.843 -28.081 5.269 1.00 25.02 H new ATOM 0 HB3 GLU A 27 7.459 -29.462 6.276 1.00 25.02 H new ATOM 0 HG2 GLU A 27 8.960 -26.968 7.160 1.00 4.32 H new ATOM 0 HG3 GLU A 27 7.296 -27.359 7.543 1.00 4.32 H new ATOM 398 N GLU A 28 10.382 -30.401 3.720 1.00 74.33 N ATOM 399 CA GLU A 28 10.348 -31.231 2.529 1.00 5.20 C ATOM 400 C GLU A 28 9.127 -30.888 1.692 1.00 42.14 C ATOM 401 O GLU A 28 8.415 -31.763 1.196 1.00 30.30 O ATOM 402 CB GLU A 28 10.408 -32.716 2.903 1.00 11.13 C ATOM 403 CG GLU A 28 11.729 -33.084 3.569 1.00 44.12 C ATOM 404 CD GLU A 28 11.818 -34.538 3.995 1.00 45.01 C ATOM 405 OE1 GLU A 28 11.990 -35.413 3.122 1.00 33.23 O ATOM 406 OE2 GLU A 28 11.742 -34.812 5.211 1.00 15.51 O ATOM 0 H GLU A 28 11.268 -29.914 3.857 1.00 74.33 H new ATOM 0 HA GLU A 28 11.228 -31.027 1.919 1.00 5.20 H new ATOM 0 HB2 GLU A 28 9.584 -32.954 3.576 1.00 11.13 H new ATOM 0 HB3 GLU A 28 10.273 -33.321 2.007 1.00 11.13 H new ATOM 0 HG2 GLU A 28 12.545 -32.867 2.880 1.00 44.12 H new ATOM 0 HG3 GLU A 28 11.873 -32.450 4.444 1.00 44.12 H new ATOM 413 N GLN A 29 8.894 -29.584 1.542 1.00 64.21 N ATOM 414 CA GLN A 29 7.792 -29.108 0.709 1.00 51.25 C ATOM 415 C GLN A 29 8.299 -28.882 -0.710 1.00 33.51 C ATOM 416 O GLN A 29 9.123 -28.006 -0.949 1.00 74.21 O ATOM 417 CB GLN A 29 7.200 -27.805 1.269 1.00 71.23 C ATOM 418 CG GLN A 29 6.479 -27.961 2.606 1.00 15.21 C ATOM 419 CD GLN A 29 5.952 -26.637 3.138 1.00 15.23 C ATOM 420 OE1 GLN A 29 6.541 -25.583 2.905 1.00 50.34 O ATOM 421 NE2 GLN A 29 4.830 -26.676 3.842 1.00 41.25 N ATOM 0 H GLN A 29 9.446 -28.847 1.981 1.00 64.21 H new ATOM 0 HA GLN A 29 7.004 -29.861 0.705 1.00 51.25 H new ATOM 0 HB2 GLN A 29 8.003 -27.077 1.386 1.00 71.23 H new ATOM 0 HB3 GLN A 29 6.502 -27.395 0.539 1.00 71.23 H new ATOM 0 HG2 GLN A 29 5.650 -28.659 2.489 1.00 15.21 H new ATOM 0 HG3 GLN A 29 7.162 -28.397 3.335 1.00 15.21 H new ATOM 0 HE21 GLN A 29 4.368 -27.569 4.016 1.00 41.25 H new ATOM 0 HE22 GLN A 29 4.428 -25.814 4.210 1.00 41.25 H new ATOM 430 N HIS A 30 7.774 -29.657 -1.643 1.00 71.42 N ATOM 431 CA HIS A 30 8.199 -29.599 -3.042 1.00 42.33 C ATOM 432 C HIS A 30 7.384 -28.561 -3.808 1.00 72.03 C ATOM 433 O HIS A 30 6.215 -28.328 -3.494 1.00 21.01 O ATOM 434 CB HIS A 30 8.062 -30.990 -3.684 1.00 50.11 C ATOM 435 CG HIS A 30 6.778 -31.683 -3.336 1.00 63.33 C ATOM 436 ND1 HIS A 30 6.655 -32.547 -2.264 1.00 62.20 N ATOM 437 CD2 HIS A 30 5.550 -31.620 -3.905 1.00 60.32 C ATOM 438 CE1 HIS A 30 5.410 -32.980 -2.191 1.00 74.33 C ATOM 439 NE2 HIS A 30 4.721 -32.434 -3.175 1.00 40.22 N ATOM 0 H HIS A 30 7.043 -30.344 -1.459 1.00 71.42 H new ATOM 0 HA HIS A 30 9.245 -29.297 -3.084 1.00 42.33 H new ATOM 0 HB2 HIS A 30 8.130 -30.890 -4.767 1.00 50.11 H new ATOM 0 HB3 HIS A 30 8.899 -31.612 -3.368 1.00 50.11 H new ATOM 0 HD1 HIS A 30 7.409 -32.809 -1.629 1.00 62.20 H new ATOM 0 HD2 HIS A 30 5.275 -31.037 -4.772 1.00 60.32 H new ATOM 0 HE1 HIS A 30 5.022 -33.665 -1.452 1.00 74.33 H new ATOM 448 N SER A 31 8.000 -27.953 -4.820 1.00 35.33 N ATOM 449 CA SER A 31 7.377 -26.880 -5.578 1.00 44.32 C ATOM 450 C SER A 31 8.067 -26.742 -6.932 1.00 41.34 C ATOM 451 O SER A 31 9.117 -27.344 -7.160 1.00 42.53 O ATOM 452 CB SER A 31 7.456 -25.567 -4.788 1.00 53.22 C ATOM 453 OG SER A 31 8.788 -25.298 -4.386 1.00 51.33 O ATOM 0 H SER A 31 8.941 -28.192 -5.133 1.00 35.33 H new ATOM 0 HA SER A 31 6.326 -27.115 -5.746 1.00 44.32 H new ATOM 0 HB2 SER A 31 7.084 -24.746 -5.401 1.00 53.22 H new ATOM 0 HB3 SER A 31 6.812 -25.627 -3.911 1.00 53.22 H new ATOM 0 HG SER A 31 8.795 -25.012 -3.449 1.00 51.33 H new ATOM 459 N LEU A 32 7.483 -25.952 -7.820 1.00 3.13 N ATOM 460 CA LEU A 32 8.005 -25.797 -9.173 1.00 2.12 C ATOM 461 C LEU A 32 8.158 -24.311 -9.493 1.00 23.13 C ATOM 462 O LEU A 32 7.241 -23.524 -9.255 1.00 0.03 O ATOM 463 CB LEU A 32 7.059 -26.489 -10.172 1.00 20.23 C ATOM 464 CG LEU A 32 7.738 -27.436 -11.178 1.00 74.50 C ATOM 465 CD1 LEU A 32 6.706 -28.072 -12.104 1.00 31.30 C ATOM 466 CD2 LEU A 32 8.815 -26.700 -11.971 1.00 54.31 C ATOM 0 H LEU A 32 6.643 -25.405 -7.629 1.00 3.13 H new ATOM 0 HA LEU A 32 8.986 -26.266 -9.251 1.00 2.12 H new ATOM 0 HB2 LEU A 32 6.316 -27.055 -9.610 1.00 20.23 H new ATOM 0 HB3 LEU A 32 6.521 -25.721 -10.728 1.00 20.23 H new ATOM 0 HG LEU A 32 8.223 -28.237 -10.621 1.00 74.50 H new ATOM 0 HD11 LEU A 32 7.208 -28.737 -12.806 1.00 31.30 H new ATOM 0 HD12 LEU A 32 5.989 -28.642 -11.513 1.00 31.30 H new ATOM 0 HD13 LEU A 32 6.182 -27.291 -12.655 1.00 31.30 H new ATOM 0 HD21 LEU A 32 9.282 -27.388 -12.676 1.00 54.31 H new ATOM 0 HD22 LEU A 32 8.363 -25.872 -12.517 1.00 54.31 H new ATOM 0 HD23 LEU A 32 9.570 -26.314 -11.287 1.00 54.31 H new ATOM 478 N TRP A 33 9.316 -23.938 -10.029 1.00 3.12 N ATOM 479 CA TRP A 33 9.644 -22.537 -10.268 1.00 32.24 C ATOM 480 C TRP A 33 10.267 -22.373 -11.658 1.00 54.31 C ATOM 481 O TRP A 33 11.208 -23.084 -12.009 1.00 25.10 O ATOM 482 CB TRP A 33 10.614 -22.050 -9.183 1.00 63.34 C ATOM 483 CG TRP A 33 10.526 -20.579 -8.892 1.00 1.25 C ATOM 484 CD1 TRP A 33 11.432 -19.613 -9.225 1.00 61.25 C ATOM 485 CD2 TRP A 33 9.464 -19.911 -8.202 1.00 60.41 C ATOM 486 NE1 TRP A 33 11.001 -18.391 -8.774 1.00 2.11 N ATOM 487 CE2 TRP A 33 9.797 -18.546 -8.146 1.00 44.30 C ATOM 488 CE3 TRP A 33 8.265 -20.337 -7.621 1.00 13.51 C ATOM 489 CZ2 TRP A 33 8.975 -17.603 -7.537 1.00 54.44 C ATOM 490 CZ3 TRP A 33 7.449 -19.401 -7.017 1.00 3.41 C ATOM 491 CH2 TRP A 33 7.807 -18.046 -6.977 1.00 1.12 C ATOM 0 H TRP A 33 10.047 -24.592 -10.308 1.00 3.12 H new ATOM 0 HA TRP A 33 8.734 -21.938 -10.227 1.00 32.24 H new ATOM 0 HB2 TRP A 33 10.420 -22.603 -8.264 1.00 63.34 H new ATOM 0 HB3 TRP A 33 11.633 -22.288 -9.489 1.00 63.34 H new ATOM 0 HD1 TRP A 33 12.352 -19.785 -9.764 1.00 61.25 H new ATOM 0 HE1 TRP A 33 11.499 -17.508 -8.889 1.00 2.11 H new ATOM 0 HE3 TRP A 33 7.983 -21.379 -7.644 1.00 13.51 H new ATOM 0 HZ2 TRP A 33 9.249 -16.559 -7.507 1.00 54.44 H new ATOM 0 HZ3 TRP A 33 6.519 -19.718 -6.568 1.00 3.41 H new ATOM 0 HH2 TRP A 33 7.149 -17.338 -6.495 1.00 1.12 H new ATOM 502 N PRO A 34 9.741 -21.442 -12.475 1.00 25.13 N ATOM 503 CA PRO A 34 10.240 -21.207 -13.832 1.00 42.25 C ATOM 504 C PRO A 34 11.462 -20.283 -13.859 1.00 14.23 C ATOM 505 O PRO A 34 11.658 -19.468 -12.954 1.00 50.31 O ATOM 506 CB PRO A 34 9.040 -20.549 -14.516 1.00 31.40 C ATOM 507 CG PRO A 34 8.365 -19.784 -13.428 1.00 22.21 C ATOM 508 CD PRO A 34 8.612 -20.547 -12.145 1.00 51.42 C ATOM 0 HA PRO A 34 10.583 -22.121 -14.316 1.00 42.25 H new ATOM 0 HB2 PRO A 34 9.356 -19.892 -15.326 1.00 31.40 H new ATOM 0 HB3 PRO A 34 8.373 -21.294 -14.951 1.00 31.40 H new ATOM 0 HG2 PRO A 34 8.765 -18.772 -13.360 1.00 22.21 H new ATOM 0 HG3 PRO A 34 7.297 -19.692 -13.624 1.00 22.21 H new ATOM 0 HD2 PRO A 34 8.861 -19.876 -11.323 1.00 51.42 H new ATOM 0 HD3 PRO A 34 7.731 -21.111 -11.840 1.00 51.42 H new ATOM 516 N THR A 35 12.261 -20.406 -14.919 1.00 20.31 N ATOM 517 CA THR A 35 13.474 -19.605 -15.092 1.00 14.53 C ATOM 518 C THR A 35 13.156 -18.109 -15.128 1.00 24.53 C ATOM 519 O THR A 35 13.999 -17.270 -14.801 1.00 70.21 O ATOM 520 CB THR A 35 14.200 -20.007 -16.400 1.00 2.34 C ATOM 521 OG1 THR A 35 13.248 -20.120 -17.471 1.00 13.41 O ATOM 522 CG2 THR A 35 14.945 -21.327 -16.240 1.00 20.12 C ATOM 0 H THR A 35 12.087 -21.062 -15.680 1.00 20.31 H new ATOM 0 HA THR A 35 14.121 -19.800 -14.237 1.00 14.53 H new ATOM 0 HB THR A 35 14.928 -19.230 -16.632 1.00 2.34 H new ATOM 0 HG1 THR A 35 12.923 -21.043 -17.523 1.00 13.41 H new ATOM 0 HG21 THR A 35 15.443 -21.579 -17.176 1.00 20.12 H new ATOM 0 HG22 THR A 35 15.688 -21.232 -15.448 1.00 20.12 H new ATOM 0 HG23 THR A 35 14.238 -22.115 -15.981 1.00 20.12 H new ATOM 530 N PHE A 36 11.925 -17.795 -15.514 1.00 54.32 N ATOM 531 CA PHE A 36 11.474 -16.417 -15.670 1.00 23.33 C ATOM 532 C PHE A 36 11.337 -15.719 -14.312 1.00 20.31 C ATOM 533 O PHE A 36 11.134 -14.504 -14.246 1.00 11.01 O ATOM 534 CB PHE A 36 10.135 -16.396 -16.421 1.00 71.31 C ATOM 535 CG PHE A 36 10.138 -17.269 -17.654 1.00 0.31 C ATOM 536 CD1 PHE A 36 10.748 -16.844 -18.825 1.00 21.12 C ATOM 537 CD2 PHE A 36 9.551 -18.529 -17.632 1.00 72.31 C ATOM 538 CE1 PHE A 36 10.765 -17.650 -19.947 1.00 35.02 C ATOM 539 CE2 PHE A 36 9.570 -19.338 -18.752 1.00 4.13 C ATOM 540 CZ PHE A 36 10.178 -18.899 -19.911 1.00 61.34 C ATOM 0 H PHE A 36 11.210 -18.490 -15.728 1.00 54.32 H new ATOM 0 HA PHE A 36 12.221 -15.872 -16.247 1.00 23.33 H new ATOM 0 HB2 PHE A 36 9.343 -16.727 -15.750 1.00 71.31 H new ATOM 0 HB3 PHE A 36 9.902 -15.371 -16.709 1.00 71.31 H new ATOM 0 HD1 PHE A 36 11.215 -15.871 -18.860 1.00 21.12 H new ATOM 0 HD2 PHE A 36 9.074 -18.880 -16.729 1.00 72.31 H new ATOM 0 HE1 PHE A 36 11.238 -17.302 -20.853 1.00 35.02 H new ATOM 0 HE2 PHE A 36 9.109 -20.314 -18.721 1.00 4.13 H new ATOM 0 HZ PHE A 36 10.194 -19.531 -20.787 1.00 61.34 H new ATOM 550 N ALA A 37 11.457 -16.489 -13.229 1.00 31.31 N ATOM 551 CA ALA A 37 11.344 -15.953 -11.876 1.00 2.32 C ATOM 552 C ALA A 37 12.580 -16.316 -11.054 1.00 65.11 C ATOM 553 O ALA A 37 13.279 -17.284 -11.363 1.00 71.31 O ATOM 554 CB ALA A 37 10.077 -16.477 -11.208 1.00 32.12 C ATOM 0 H ALA A 37 11.634 -17.493 -13.266 1.00 31.31 H new ATOM 0 HA ALA A 37 11.280 -14.866 -11.932 1.00 2.32 H new ATOM 0 HB1 ALA A 37 10.003 -16.071 -10.199 1.00 32.12 H new ATOM 0 HB2 ALA A 37 9.206 -16.170 -11.788 1.00 32.12 H new ATOM 0 HB3 ALA A 37 10.115 -17.565 -11.159 1.00 32.12 H new ATOM 560 N ASP A 38 12.849 -15.533 -10.014 1.00 62.40 N ATOM 561 CA ASP A 38 14.017 -15.754 -9.160 1.00 71.51 C ATOM 562 C ASP A 38 13.677 -16.720 -8.031 1.00 32.04 C ATOM 563 O ASP A 38 12.609 -16.615 -7.422 1.00 55.21 O ATOM 564 CB ASP A 38 14.514 -14.428 -8.570 1.00 73.44 C ATOM 565 CG ASP A 38 14.879 -13.409 -9.636 1.00 11.53 C ATOM 566 OD1 ASP A 38 13.980 -12.668 -10.089 1.00 71.03 O ATOM 567 OD2 ASP A 38 16.063 -13.332 -10.022 1.00 12.15 O ATOM 0 H ASP A 38 12.274 -14.737 -9.740 1.00 62.40 H new ATOM 0 HA ASP A 38 14.807 -16.186 -9.774 1.00 71.51 H new ATOM 0 HB2 ASP A 38 13.741 -14.011 -7.924 1.00 73.44 H new ATOM 0 HB3 ASP A 38 15.385 -14.618 -7.943 1.00 73.44 H new ATOM 572 N VAL A 39 14.578 -17.666 -7.772 1.00 54.22 N ATOM 573 CA VAL A 39 14.406 -18.638 -6.691 1.00 43.22 C ATOM 574 C VAL A 39 14.178 -17.930 -5.347 1.00 15.13 C ATOM 575 O VAL A 39 15.051 -17.199 -4.873 1.00 15.20 O ATOM 576 CB VAL A 39 15.640 -19.575 -6.575 1.00 24.11 C ATOM 577 CG1 VAL A 39 15.439 -20.608 -5.463 1.00 4.21 C ATOM 578 CG2 VAL A 39 15.925 -20.261 -7.912 1.00 12.12 C ATOM 0 H VAL A 39 15.443 -17.781 -8.301 1.00 54.22 H new ATOM 0 HA VAL A 39 13.529 -19.238 -6.934 1.00 43.22 H new ATOM 0 HB VAL A 39 16.506 -18.966 -6.314 1.00 24.11 H new ATOM 0 HG11 VAL A 39 16.316 -21.252 -5.402 1.00 4.21 H new ATOM 0 HG12 VAL A 39 15.298 -20.095 -4.511 1.00 4.21 H new ATOM 0 HG13 VAL A 39 14.559 -21.213 -5.683 1.00 4.21 H new ATOM 0 HG21 VAL A 39 16.793 -20.912 -7.809 1.00 12.12 H new ATOM 0 HG22 VAL A 39 15.060 -20.854 -8.209 1.00 12.12 H new ATOM 0 HG23 VAL A 39 16.126 -19.506 -8.673 1.00 12.12 H new ATOM 588 N PRO A 40 12.999 -18.128 -4.725 1.00 15.15 N ATOM 589 CA PRO A 40 12.656 -17.479 -3.452 1.00 14.42 C ATOM 590 C PRO A 40 13.427 -18.062 -2.264 1.00 75.04 C ATOM 591 O PRO A 40 13.484 -19.286 -2.079 1.00 54.23 O ATOM 592 CB PRO A 40 11.151 -17.742 -3.314 1.00 2.52 C ATOM 593 CG PRO A 40 10.912 -18.999 -4.082 1.00 3.34 C ATOM 594 CD PRO A 40 11.906 -18.993 -5.215 1.00 13.40 C ATOM 0 HA PRO A 40 12.916 -16.421 -3.451 1.00 14.42 H new ATOM 0 HB2 PRO A 40 10.864 -17.856 -2.269 1.00 2.52 H new ATOM 0 HB3 PRO A 40 10.566 -16.915 -3.717 1.00 2.52 H new ATOM 0 HG2 PRO A 40 11.049 -19.875 -3.448 1.00 3.34 H new ATOM 0 HG3 PRO A 40 9.890 -19.036 -4.460 1.00 3.34 H new ATOM 0 HD2 PRO A 40 12.262 -19.998 -5.439 1.00 13.40 H new ATOM 0 HD3 PRO A 40 11.465 -18.599 -6.131 1.00 13.40 H new ATOM 602 N ALA A 41 14.015 -17.178 -1.459 1.00 33.41 N ATOM 603 CA ALA A 41 14.770 -17.589 -0.282 1.00 52.11 C ATOM 604 C ALA A 41 13.898 -18.447 0.631 1.00 43.14 C ATOM 605 O ALA A 41 12.779 -18.056 0.984 1.00 23.12 O ATOM 606 CB ALA A 41 15.295 -16.369 0.469 1.00 52.40 C ATOM 0 H ALA A 41 13.981 -16.169 -1.604 1.00 33.41 H new ATOM 0 HA ALA A 41 15.624 -18.184 -0.606 1.00 52.11 H new ATOM 0 HB1 ALA A 41 15.856 -16.695 1.345 1.00 52.40 H new ATOM 0 HB2 ALA A 41 15.947 -15.792 -0.186 1.00 52.40 H new ATOM 0 HB3 ALA A 41 14.457 -15.748 0.785 1.00 52.40 H new ATOM 612 N GLY A 42 14.410 -19.613 1.004 1.00 10.21 N ATOM 613 CA GLY A 42 13.643 -20.558 1.796 1.00 25.41 C ATOM 614 C GLY A 42 13.250 -21.777 0.986 1.00 61.12 C ATOM 615 O GLY A 42 12.877 -22.811 1.544 1.00 34.40 O ATOM 0 H GLY A 42 15.353 -19.924 0.770 1.00 10.21 H new ATOM 0 HA2 GLY A 42 14.229 -20.869 2.661 1.00 25.41 H new ATOM 0 HA3 GLY A 42 12.746 -20.070 2.178 1.00 25.41 H new ATOM 619 N TRP A 43 13.316 -21.646 -0.337 1.00 42.44 N ATOM 620 CA TRP A 43 13.049 -22.762 -1.238 1.00 35.33 C ATOM 621 C TRP A 43 14.323 -23.111 -2.006 1.00 5.14 C ATOM 622 O TRP A 43 14.692 -22.423 -2.957 1.00 44.43 O ATOM 623 CB TRP A 43 11.913 -22.409 -2.209 1.00 0.31 C ATOM 624 CG TRP A 43 10.635 -22.030 -1.517 1.00 11.10 C ATOM 625 CD1 TRP A 43 10.293 -20.796 -1.045 1.00 10.04 C ATOM 626 CD2 TRP A 43 9.530 -22.894 -1.216 1.00 4.32 C ATOM 627 NE1 TRP A 43 9.046 -20.837 -0.473 1.00 32.12 N ATOM 628 CE2 TRP A 43 8.556 -22.114 -0.566 1.00 30.42 C ATOM 629 CE3 TRP A 43 9.273 -24.249 -1.434 1.00 65.54 C ATOM 630 CZ2 TRP A 43 7.344 -22.643 -0.133 1.00 31.21 C ATOM 631 CZ3 TRP A 43 8.070 -24.775 -1.004 1.00 1.13 C ATOM 632 CH2 TRP A 43 7.118 -23.975 -0.360 1.00 1.41 C ATOM 0 H TRP A 43 13.553 -20.774 -0.809 1.00 42.44 H new ATOM 0 HA TRP A 43 12.736 -23.627 -0.654 1.00 35.33 H new ATOM 0 HB2 TRP A 43 12.232 -21.583 -2.845 1.00 0.31 H new ATOM 0 HB3 TRP A 43 11.725 -23.261 -2.862 1.00 0.31 H new ATOM 0 HD1 TRP A 43 10.914 -19.915 -1.112 1.00 10.04 H new ATOM 0 HE1 TRP A 43 8.562 -20.046 -0.048 1.00 32.12 H new ATOM 0 HE3 TRP A 43 10.001 -24.874 -1.929 1.00 65.54 H new ATOM 0 HZ2 TRP A 43 6.609 -22.027 0.363 1.00 31.21 H new ATOM 0 HZ3 TRP A 43 7.860 -25.822 -1.167 1.00 1.13 H new ATOM 0 HH2 TRP A 43 6.187 -24.417 -0.036 1.00 1.41 H new ATOM 643 N ARG A 44 14.999 -24.170 -1.573 1.00 11.32 N ATOM 644 CA ARG A 44 16.272 -24.570 -2.168 1.00 5.43 C ATOM 645 C ARG A 44 16.031 -25.429 -3.405 1.00 3.31 C ATOM 646 O ARG A 44 15.040 -26.160 -3.483 1.00 13.14 O ATOM 647 CB ARG A 44 17.134 -25.323 -1.141 1.00 25.21 C ATOM 648 CG ARG A 44 16.616 -26.712 -0.774 1.00 12.21 C ATOM 649 CD ARG A 44 17.501 -27.384 0.270 1.00 42.25 C ATOM 650 NE ARG A 44 18.911 -27.384 -0.126 1.00 33.10 N ATOM 651 CZ ARG A 44 19.676 -28.472 -0.224 1.00 75.23 C ATOM 652 NH1 ARG A 44 19.186 -29.674 0.061 1.00 51.22 N ATOM 653 NH2 ARG A 44 20.941 -28.348 -0.601 1.00 70.20 N ATOM 0 H ARG A 44 14.686 -24.770 -0.809 1.00 11.32 H new ATOM 0 HA ARG A 44 16.812 -23.673 -2.472 1.00 5.43 H new ATOM 0 HB2 ARG A 44 18.145 -25.419 -1.536 1.00 25.21 H new ATOM 0 HB3 ARG A 44 17.202 -24.723 -0.233 1.00 25.21 H new ATOM 0 HG2 ARG A 44 15.598 -26.632 -0.392 1.00 12.21 H new ATOM 0 HG3 ARG A 44 16.573 -27.333 -1.669 1.00 12.21 H new ATOM 0 HD2 ARG A 44 17.392 -26.868 1.224 1.00 42.25 H new ATOM 0 HD3 ARG A 44 17.167 -28.410 0.422 1.00 42.25 H new ATOM 0 HE ARG A 44 19.340 -26.484 -0.343 1.00 33.10 H new ATOM 0 HH11 ARG A 44 18.215 -29.772 0.358 1.00 51.22 H new ATOM 0 HH12 ARG A 44 19.781 -30.499 -0.018 1.00 51.22 H new ATOM 0 HH21 ARG A 44 21.322 -27.426 -0.813 1.00 70.20 H new ATOM 0 HH22 ARG A 44 21.533 -29.175 -0.679 1.00 70.20 H new ATOM 667 N VAL A 45 16.937 -25.329 -4.368 1.00 33.52 N ATOM 668 CA VAL A 45 16.795 -26.020 -5.646 1.00 3.11 C ATOM 669 C VAL A 45 17.131 -27.505 -5.501 1.00 0.20 C ATOM 670 O VAL A 45 18.158 -27.865 -4.920 1.00 14.01 O ATOM 671 CB VAL A 45 17.713 -25.397 -6.727 1.00 42.52 C ATOM 672 CG1 VAL A 45 17.462 -26.046 -8.089 1.00 31.31 C ATOM 673 CG2 VAL A 45 17.524 -23.881 -6.800 1.00 40.23 C ATOM 0 H VAL A 45 17.787 -24.771 -4.288 1.00 33.52 H new ATOM 0 HA VAL A 45 15.756 -25.911 -5.957 1.00 3.11 H new ATOM 0 HB VAL A 45 18.748 -25.591 -6.444 1.00 42.52 H new ATOM 0 HG11 VAL A 45 18.117 -25.594 -8.834 1.00 31.31 H new ATOM 0 HG12 VAL A 45 17.667 -27.115 -8.026 1.00 31.31 H new ATOM 0 HG13 VAL A 45 16.423 -25.893 -8.379 1.00 31.31 H new ATOM 0 HG21 VAL A 45 18.180 -23.469 -7.567 1.00 40.23 H new ATOM 0 HG22 VAL A 45 16.487 -23.655 -7.050 1.00 40.23 H new ATOM 0 HG23 VAL A 45 17.770 -23.437 -5.835 1.00 40.23 H new ATOM 683 N VAL A 46 16.256 -28.365 -6.019 1.00 33.24 N ATOM 684 CA VAL A 46 16.480 -29.812 -5.990 1.00 13.35 C ATOM 685 C VAL A 46 16.654 -30.348 -7.404 1.00 21.32 C ATOM 686 O VAL A 46 17.346 -31.343 -7.626 1.00 22.43 O ATOM 687 CB VAL A 46 15.307 -30.559 -5.306 1.00 43.02 C ATOM 688 CG1 VAL A 46 14.898 -29.837 -4.041 1.00 54.42 C ATOM 689 CG2 VAL A 46 14.109 -30.714 -6.238 1.00 11.10 C ATOM 0 H VAL A 46 15.383 -28.085 -6.465 1.00 33.24 H new ATOM 0 HA VAL A 46 17.387 -29.987 -5.412 1.00 13.35 H new ATOM 0 HB VAL A 46 15.656 -31.560 -5.054 1.00 43.02 H new ATOM 0 HG11 VAL A 46 14.073 -30.370 -3.568 1.00 54.42 H new ATOM 0 HG12 VAL A 46 15.744 -29.797 -3.355 1.00 54.42 H new ATOM 0 HG13 VAL A 46 14.581 -28.823 -4.287 1.00 54.42 H new ATOM 0 HG21 VAL A 46 13.310 -31.243 -5.719 1.00 11.10 H new ATOM 0 HG22 VAL A 46 13.755 -29.729 -6.542 1.00 11.10 H new ATOM 0 HG23 VAL A 46 14.405 -31.281 -7.120 1.00 11.10 H new ATOM 699 N PHE A 47 16.010 -29.684 -8.357 1.00 63.21 N ATOM 700 CA PHE A 47 16.082 -30.083 -9.759 1.00 72.55 C ATOM 701 C PHE A 47 16.287 -28.840 -10.614 1.00 11.21 C ATOM 702 O PHE A 47 15.436 -27.959 -10.628 1.00 10.30 O ATOM 703 CB PHE A 47 14.785 -30.819 -10.152 1.00 21.25 C ATOM 704 CG PHE A 47 14.805 -31.526 -11.495 1.00 31.24 C ATOM 705 CD1 PHE A 47 15.943 -31.554 -12.294 1.00 33.42 C ATOM 706 CD2 PHE A 47 13.666 -32.178 -11.949 1.00 35.11 C ATOM 707 CE1 PHE A 47 15.937 -32.212 -13.512 1.00 40.53 C ATOM 708 CE2 PHE A 47 13.657 -32.838 -13.163 1.00 61.52 C ATOM 709 CZ PHE A 47 14.792 -32.855 -13.946 1.00 51.14 C ATOM 0 H PHE A 47 15.430 -28.863 -8.184 1.00 63.21 H new ATOM 0 HA PHE A 47 16.920 -30.762 -9.919 1.00 72.55 H new ATOM 0 HB2 PHE A 47 14.559 -31.554 -9.380 1.00 21.25 H new ATOM 0 HB3 PHE A 47 13.968 -30.098 -10.155 1.00 21.25 H new ATOM 0 HD1 PHE A 47 16.842 -31.057 -11.960 1.00 33.42 H new ATOM 0 HD2 PHE A 47 12.772 -32.169 -11.343 1.00 35.11 H new ATOM 0 HE1 PHE A 47 16.827 -32.223 -14.124 1.00 40.53 H new ATOM 0 HE2 PHE A 47 12.762 -33.340 -13.498 1.00 61.52 H new ATOM 0 HZ PHE A 47 14.787 -33.369 -14.896 1.00 51.14 H new ATOM 719 N GLY A 48 17.430 -28.765 -11.293 1.00 65.51 N ATOM 720 CA GLY A 48 17.742 -27.614 -12.132 1.00 3.32 C ATOM 721 C GLY A 48 16.760 -27.438 -13.279 1.00 73.14 C ATOM 722 O GLY A 48 15.908 -28.301 -13.507 1.00 32.53 O ATOM 0 H GLY A 48 18.152 -29.486 -11.278 1.00 65.51 H new ATOM 0 HA2 GLY A 48 17.743 -26.713 -11.519 1.00 3.32 H new ATOM 0 HA3 GLY A 48 18.748 -27.726 -12.535 1.00 3.32 H new ATOM 726 N GLU A 49 16.887 -26.324 -14.003 1.00 43.12 N ATOM 727 CA GLU A 49 15.970 -25.999 -15.094 1.00 43.14 C ATOM 728 C GLU A 49 15.904 -27.132 -16.122 1.00 60.45 C ATOM 729 O GLU A 49 16.902 -27.478 -16.759 1.00 2.22 O ATOM 730 CB GLU A 49 16.367 -24.670 -15.761 1.00 51.44 C ATOM 731 CG GLU A 49 17.835 -24.577 -16.173 1.00 44.04 C ATOM 732 CD GLU A 49 18.170 -23.262 -16.867 1.00 14.21 C ATOM 733 OE1 GLU A 49 18.452 -22.265 -16.167 1.00 54.24 O ATOM 734 OE2 GLU A 49 18.154 -23.218 -18.117 1.00 63.23 O ATOM 0 H GLU A 49 17.619 -25.630 -13.851 1.00 43.12 H new ATOM 0 HA GLU A 49 14.973 -25.882 -14.670 1.00 43.14 H new ATOM 0 HB2 GLU A 49 15.746 -24.522 -16.644 1.00 51.44 H new ATOM 0 HB3 GLU A 49 16.144 -23.853 -15.074 1.00 51.44 H new ATOM 0 HG2 GLU A 49 18.464 -24.687 -15.289 1.00 44.04 H new ATOM 0 HG3 GLU A 49 18.074 -25.406 -16.839 1.00 44.04 H new ATOM 741 N ALA A 50 14.715 -27.708 -16.261 1.00 15.04 N ATOM 742 CA ALA A 50 14.477 -28.820 -17.172 1.00 15.21 C ATOM 743 C ALA A 50 13.091 -28.697 -17.806 1.00 3.12 C ATOM 744 O ALA A 50 12.272 -27.901 -17.354 1.00 24.11 O ATOM 745 CB ALA A 50 14.618 -30.147 -16.429 1.00 15.15 C ATOM 0 H ALA A 50 13.887 -27.415 -15.743 1.00 15.04 H new ATOM 0 HA ALA A 50 15.221 -28.791 -17.968 1.00 15.21 H new ATOM 0 HB1 ALA A 50 14.438 -30.971 -17.119 1.00 15.15 H new ATOM 0 HB2 ALA A 50 15.625 -30.230 -16.020 1.00 15.15 H new ATOM 0 HB3 ALA A 50 13.892 -30.188 -15.617 1.00 15.15 H new ATOM 751 N SER A 51 12.842 -29.469 -18.860 1.00 24.24 N ATOM 752 CA SER A 51 11.544 -29.465 -19.541 1.00 52.43 C ATOM 753 C SER A 51 10.401 -29.749 -18.554 1.00 62.51 C ATOM 754 O SER A 51 10.564 -30.520 -17.601 1.00 55.12 O ATOM 755 CB SER A 51 11.544 -30.503 -20.674 1.00 22.31 C ATOM 756 OG SER A 51 10.310 -30.516 -21.381 1.00 22.35 O ATOM 0 H SER A 51 13.524 -30.110 -19.265 1.00 24.24 H new ATOM 0 HA SER A 51 11.381 -28.474 -19.965 1.00 52.43 H new ATOM 0 HB2 SER A 51 12.357 -30.285 -21.367 1.00 22.31 H new ATOM 0 HB3 SER A 51 11.736 -31.493 -20.260 1.00 22.31 H new ATOM 0 HG SER A 51 10.003 -29.596 -21.520 1.00 22.35 H new ATOM 762 N ARG A 52 9.247 -29.127 -18.813 1.00 22.34 N ATOM 763 CA ARG A 52 8.074 -29.216 -17.936 1.00 33.32 C ATOM 764 C ARG A 52 7.779 -30.660 -17.530 1.00 54.14 C ATOM 765 O ARG A 52 7.601 -30.949 -16.349 1.00 52.31 O ATOM 766 CB ARG A 52 6.849 -28.614 -18.645 1.00 3.52 C ATOM 767 CG ARG A 52 5.526 -28.759 -17.889 1.00 42.23 C ATOM 768 CD ARG A 52 5.484 -27.925 -16.616 1.00 23.53 C ATOM 769 NE ARG A 52 4.165 -27.971 -15.979 1.00 22.00 N ATOM 770 CZ ARG A 52 3.750 -27.119 -15.040 1.00 21.21 C ATOM 771 NH1 ARG A 52 4.556 -26.157 -14.602 1.00 61.40 N ATOM 772 NH2 ARG A 52 2.520 -27.227 -14.553 1.00 1.50 N ATOM 0 H ARG A 52 9.099 -28.546 -19.638 1.00 22.34 H new ATOM 0 HA ARG A 52 8.291 -28.652 -17.029 1.00 33.32 H new ATOM 0 HB2 ARG A 52 7.035 -27.555 -18.821 1.00 3.52 H new ATOM 0 HB3 ARG A 52 6.745 -29.086 -19.622 1.00 3.52 H new ATOM 0 HG2 ARG A 52 4.705 -28.461 -18.541 1.00 42.23 H new ATOM 0 HG3 ARG A 52 5.369 -29.808 -17.637 1.00 42.23 H new ATOM 0 HD2 ARG A 52 6.238 -28.289 -15.918 1.00 23.53 H new ATOM 0 HD3 ARG A 52 5.739 -26.891 -16.850 1.00 23.53 H new ATOM 0 HE ARG A 52 3.520 -28.704 -16.274 1.00 22.00 H new ATOM 0 HH11 ARG A 52 5.497 -26.067 -14.984 1.00 61.40 H new ATOM 0 HH12 ARG A 52 4.233 -25.509 -13.884 1.00 61.40 H new ATOM 0 HH21 ARG A 52 1.898 -27.958 -14.897 1.00 1.50 H new ATOM 0 HH22 ARG A 52 2.197 -26.579 -13.835 1.00 1.50 H new ATOM 786 N ALA A 53 7.745 -31.559 -18.512 1.00 30.50 N ATOM 787 CA ALA A 53 7.408 -32.963 -18.267 1.00 22.15 C ATOM 788 C ALA A 53 8.330 -33.589 -17.217 1.00 62.54 C ATOM 789 O ALA A 53 7.874 -34.320 -16.336 1.00 54.12 O ATOM 790 CB ALA A 53 7.466 -33.757 -19.568 1.00 32.44 C ATOM 0 H ALA A 53 7.947 -31.341 -19.488 1.00 30.50 H new ATOM 0 HA ALA A 53 6.391 -32.997 -17.876 1.00 22.15 H new ATOM 0 HB1 ALA A 53 7.213 -34.799 -19.370 1.00 32.44 H new ATOM 0 HB2 ALA A 53 6.755 -33.340 -20.281 1.00 32.44 H new ATOM 0 HB3 ALA A 53 8.472 -33.701 -19.984 1.00 32.44 H new ATOM 796 N SER A 54 9.620 -33.280 -17.303 1.00 73.43 N ATOM 797 CA SER A 54 10.604 -33.819 -16.370 1.00 14.52 C ATOM 798 C SER A 54 10.353 -33.284 -14.962 1.00 44.42 C ATOM 799 O SER A 54 10.405 -34.028 -13.975 1.00 24.13 O ATOM 800 CB SER A 54 12.019 -33.461 -16.838 1.00 35.32 C ATOM 801 OG SER A 54 12.231 -33.901 -18.169 1.00 32.13 O ATOM 0 H SER A 54 10.009 -32.658 -18.011 1.00 73.43 H new ATOM 0 HA SER A 54 10.508 -34.904 -16.344 1.00 14.52 H new ATOM 0 HB2 SER A 54 12.166 -32.383 -16.778 1.00 35.32 H new ATOM 0 HB3 SER A 54 12.754 -33.920 -16.176 1.00 35.32 H new ATOM 0 HG SER A 54 13.139 -33.663 -18.452 1.00 32.13 H new ATOM 807 N CYS A 55 10.059 -31.992 -14.882 1.00 64.42 N ATOM 808 CA CYS A 55 9.795 -31.345 -13.609 1.00 0.12 C ATOM 809 C CYS A 55 8.528 -31.921 -12.975 1.00 61.34 C ATOM 810 O CYS A 55 8.499 -32.219 -11.781 1.00 2.11 O ATOM 811 CB CYS A 55 9.654 -29.836 -13.809 1.00 24.25 C ATOM 812 SG CYS A 55 10.980 -29.104 -14.793 1.00 34.22 S ATOM 0 H CYS A 55 9.998 -31.372 -15.689 1.00 64.42 H new ATOM 0 HA CYS A 55 10.633 -31.532 -12.937 1.00 0.12 H new ATOM 0 HB2 CYS A 55 8.699 -29.631 -14.293 1.00 24.25 H new ATOM 0 HB3 CYS A 55 9.628 -29.350 -12.833 1.00 24.25 H new ATOM 0 HG CYS A 55 11.562 -28.166 -14.107 1.00 34.22 H new ATOM 818 N VAL A 56 7.487 -32.089 -13.795 1.00 30.54 N ATOM 819 CA VAL A 56 6.217 -32.641 -13.333 1.00 40.14 C ATOM 820 C VAL A 56 6.407 -34.078 -12.854 1.00 14.44 C ATOM 821 O VAL A 56 5.863 -34.475 -11.828 1.00 25.45 O ATOM 822 CB VAL A 56 5.141 -32.600 -14.446 1.00 40.34 C ATOM 823 CG1 VAL A 56 3.839 -33.239 -13.969 1.00 63.11 C ATOM 824 CG2 VAL A 56 4.896 -31.163 -14.904 1.00 22.04 C ATOM 0 H VAL A 56 7.502 -31.848 -14.786 1.00 30.54 H new ATOM 0 HA VAL A 56 5.872 -32.024 -12.503 1.00 40.14 H new ATOM 0 HB VAL A 56 5.510 -33.175 -15.295 1.00 40.34 H new ATOM 0 HG11 VAL A 56 3.099 -33.198 -14.768 1.00 63.11 H new ATOM 0 HG12 VAL A 56 4.022 -34.279 -13.697 1.00 63.11 H new ATOM 0 HG13 VAL A 56 3.465 -32.697 -13.100 1.00 63.11 H new ATOM 0 HG21 VAL A 56 4.137 -31.155 -15.686 1.00 22.04 H new ATOM 0 HG22 VAL A 56 4.553 -30.565 -14.059 1.00 22.04 H new ATOM 0 HG23 VAL A 56 5.823 -30.742 -15.294 1.00 22.04 H new ATOM 834 N GLU A 57 7.196 -34.840 -13.608 1.00 20.53 N ATOM 835 CA GLU A 57 7.531 -36.218 -13.251 1.00 63.13 C ATOM 836 C GLU A 57 8.178 -36.261 -11.865 1.00 50.11 C ATOM 837 O GLU A 57 7.778 -37.037 -10.994 1.00 23.30 O ATOM 838 CB GLU A 57 8.491 -36.803 -14.292 1.00 41.24 C ATOM 839 CG GLU A 57 8.788 -38.284 -14.098 1.00 22.23 C ATOM 840 CD GLU A 57 7.554 -39.160 -14.227 1.00 72.21 C ATOM 841 OE1 GLU A 57 6.900 -39.117 -15.293 1.00 2.33 O ATOM 842 OE2 GLU A 57 7.248 -39.917 -13.283 1.00 62.23 O ATOM 0 H GLU A 57 7.620 -34.522 -14.480 1.00 20.53 H new ATOM 0 HA GLU A 57 6.617 -36.811 -13.231 1.00 63.13 H new ATOM 0 HB2 GLU A 57 8.067 -36.655 -15.285 1.00 41.24 H new ATOM 0 HB3 GLU A 57 9.428 -36.248 -14.259 1.00 41.24 H new ATOM 0 HG2 GLU A 57 9.529 -38.599 -14.833 1.00 22.23 H new ATOM 0 HG3 GLU A 57 9.232 -38.434 -13.114 1.00 22.23 H new ATOM 849 N TYR A 58 9.171 -35.401 -11.676 1.00 31.40 N ATOM 850 CA TYR A 58 9.917 -35.338 -10.425 1.00 21.01 C ATOM 851 C TYR A 58 8.993 -34.950 -9.263 1.00 34.14 C ATOM 852 O TYR A 58 8.938 -35.639 -8.241 1.00 14.54 O ATOM 853 CB TYR A 58 11.069 -34.334 -10.567 1.00 21.12 C ATOM 854 CG TYR A 58 12.074 -34.373 -9.433 1.00 75.13 C ATOM 855 CD1 TYR A 58 13.144 -35.261 -9.459 1.00 72.45 C ATOM 856 CD2 TYR A 58 11.957 -33.521 -8.342 1.00 60.21 C ATOM 857 CE1 TYR A 58 14.063 -35.300 -8.430 1.00 61.43 C ATOM 858 CE2 TYR A 58 12.871 -33.556 -7.312 1.00 50.22 C ATOM 859 CZ TYR A 58 13.922 -34.446 -7.359 1.00 32.20 C ATOM 860 OH TYR A 58 14.834 -34.482 -6.330 1.00 3.54 O ATOM 0 H TYR A 58 9.481 -34.731 -12.380 1.00 31.40 H new ATOM 0 HA TYR A 58 10.331 -36.322 -10.205 1.00 21.01 H new ATOM 0 HB2 TYR A 58 11.590 -34.527 -11.505 1.00 21.12 H new ATOM 0 HB3 TYR A 58 10.653 -33.329 -10.634 1.00 21.12 H new ATOM 0 HD1 TYR A 58 13.258 -35.931 -10.298 1.00 72.45 H new ATOM 0 HD2 TYR A 58 11.136 -32.820 -8.301 1.00 60.21 H new ATOM 0 HE1 TYR A 58 14.888 -35.996 -8.465 1.00 61.43 H new ATOM 0 HE2 TYR A 58 12.764 -32.888 -6.470 1.00 50.22 H new ATOM 0 HH TYR A 58 14.591 -33.816 -5.654 1.00 3.54 H new ATOM 870 N VAL A 59 8.278 -33.837 -9.425 1.00 73.44 N ATOM 871 CA VAL A 59 7.311 -33.379 -8.422 1.00 43.10 C ATOM 872 C VAL A 59 6.252 -34.452 -8.133 1.00 65.21 C ATOM 873 O VAL A 59 5.846 -34.633 -6.984 1.00 73.20 O ATOM 874 CB VAL A 59 6.603 -32.072 -8.867 1.00 52.21 C ATOM 875 CG1 VAL A 59 5.554 -31.637 -7.841 1.00 2.35 C ATOM 876 CG2 VAL A 59 7.619 -30.957 -9.093 1.00 61.22 C ATOM 0 H VAL A 59 8.349 -33.233 -10.244 1.00 73.44 H new ATOM 0 HA VAL A 59 7.877 -33.182 -7.512 1.00 43.10 H new ATOM 0 HB VAL A 59 6.094 -32.273 -9.810 1.00 52.21 H new ATOM 0 HG11 VAL A 59 5.074 -30.719 -8.179 1.00 2.35 H new ATOM 0 HG12 VAL A 59 4.804 -32.420 -7.733 1.00 2.35 H new ATOM 0 HG13 VAL A 59 6.036 -31.462 -6.879 1.00 2.35 H new ATOM 0 HG21 VAL A 59 7.101 -30.050 -9.404 1.00 61.22 H new ATOM 0 HG22 VAL A 59 8.161 -30.765 -8.167 1.00 61.22 H new ATOM 0 HG23 VAL A 59 8.322 -31.258 -9.869 1.00 61.22 H new ATOM 886 N ASP A 60 5.825 -35.165 -9.176 1.00 75.12 N ATOM 887 CA ASP A 60 4.771 -36.176 -9.051 1.00 61.12 C ATOM 888 C ASP A 60 5.234 -37.334 -8.170 1.00 13.10 C ATOM 889 O ASP A 60 4.560 -37.714 -7.212 1.00 12.42 O ATOM 890 CB ASP A 60 4.360 -36.700 -10.432 1.00 0.13 C ATOM 891 CG ASP A 60 3.205 -37.686 -10.364 1.00 0.51 C ATOM 892 OD1 ASP A 60 2.050 -37.240 -10.183 1.00 71.44 O ATOM 893 OD2 ASP A 60 3.442 -38.904 -10.507 1.00 73.32 O ATOM 0 H ASP A 60 6.194 -35.061 -10.121 1.00 75.12 H new ATOM 0 HA ASP A 60 3.907 -35.706 -8.582 1.00 61.12 H new ATOM 0 HB2 ASP A 60 4.078 -35.859 -11.066 1.00 0.13 H new ATOM 0 HB3 ASP A 60 5.217 -37.182 -10.903 1.00 0.13 H new ATOM 898 N GLN A 61 6.406 -37.876 -8.479 1.00 23.32 N ATOM 899 CA GLN A 61 6.979 -38.956 -7.679 1.00 62.44 C ATOM 900 C GLN A 61 7.317 -38.457 -6.274 1.00 1.45 C ATOM 901 O GLN A 61 7.589 -39.243 -5.367 1.00 71.45 O ATOM 902 CB GLN A 61 8.224 -39.535 -8.367 1.00 35.42 C ATOM 903 CG GLN A 61 7.947 -40.067 -9.770 1.00 44.34 C ATOM 904 CD GLN A 61 6.815 -41.087 -9.804 1.00 0.31 C ATOM 905 OE1 GLN A 61 6.597 -41.833 -8.844 1.00 50.34 O ATOM 906 NE2 GLN A 61 6.078 -41.116 -10.902 1.00 74.24 N ATOM 0 H GLN A 61 6.977 -37.588 -9.274 1.00 23.32 H new ATOM 0 HA GLN A 61 6.240 -39.752 -7.591 1.00 62.44 H new ATOM 0 HB2 GLN A 61 8.991 -38.763 -8.424 1.00 35.42 H new ATOM 0 HB3 GLN A 61 8.628 -40.341 -7.754 1.00 35.42 H new ATOM 0 HG2 GLN A 61 7.698 -39.233 -10.427 1.00 44.34 H new ATOM 0 HG3 GLN A 61 8.854 -40.525 -10.165 1.00 44.34 H new ATOM 0 HE21 GLN A 61 6.289 -40.484 -11.674 1.00 74.24 H new ATOM 0 HE22 GLN A 61 5.299 -41.770 -10.976 1.00 74.24 H new ATOM 915 N HIS A 62 7.282 -37.139 -6.103 1.00 24.43 N ATOM 916 CA HIS A 62 7.531 -36.506 -4.811 1.00 12.13 C ATOM 917 C HIS A 62 6.230 -36.270 -4.037 1.00 73.21 C ATOM 918 O HIS A 62 6.224 -35.522 -3.067 1.00 73.04 O ATOM 919 CB HIS A 62 8.292 -35.180 -4.991 1.00 15.25 C ATOM 920 CG HIS A 62 9.785 -35.325 -4.940 1.00 73.13 C ATOM 921 ND1 HIS A 62 10.580 -34.604 -4.073 1.00 73.44 N ATOM 922 CD2 HIS A 62 10.629 -36.113 -5.648 1.00 44.25 C ATOM 923 CE1 HIS A 62 11.841 -34.945 -4.248 1.00 2.04 C ATOM 924 NE2 HIS A 62 11.901 -35.859 -5.197 1.00 65.22 N ATOM 0 H HIS A 62 7.081 -36.480 -6.855 1.00 24.43 H new ATOM 0 HA HIS A 62 8.148 -37.189 -4.228 1.00 12.13 H new ATOM 0 HB2 HIS A 62 8.012 -34.738 -5.947 1.00 15.25 H new ATOM 0 HB3 HIS A 62 7.977 -34.483 -4.214 1.00 15.25 H new ATOM 0 HD1 HIS A 62 10.244 -33.914 -3.401 1.00 73.44 H new ATOM 0 HD2 HIS A 62 10.353 -36.812 -6.424 1.00 44.25 H new ATOM 0 HE1 HIS A 62 12.684 -34.543 -3.705 1.00 2.04 H new ATOM 933 N TRP A 63 5.128 -36.883 -4.471 1.00 60.44 N ATOM 934 CA TRP A 63 3.862 -36.789 -3.725 1.00 71.34 C ATOM 935 C TRP A 63 4.046 -37.246 -2.271 1.00 41.12 C ATOM 936 O TRP A 63 3.443 -36.689 -1.357 1.00 70.10 O ATOM 937 CB TRP A 63 2.741 -37.608 -4.403 1.00 63.22 C ATOM 938 CG TRP A 63 1.884 -36.804 -5.342 1.00 41.44 C ATOM 939 CD1 TRP A 63 1.853 -36.876 -6.705 1.00 1.51 C ATOM 940 CD2 TRP A 63 0.923 -35.807 -4.972 1.00 15.33 C ATOM 941 NE1 TRP A 63 0.935 -35.983 -7.203 1.00 61.23 N ATOM 942 CE2 TRP A 63 0.352 -35.316 -6.161 1.00 5.13 C ATOM 943 CE3 TRP A 63 0.491 -35.280 -3.752 1.00 13.11 C ATOM 944 CZ2 TRP A 63 -0.626 -34.329 -6.165 1.00 75.22 C ATOM 945 CZ3 TRP A 63 -0.482 -34.299 -3.756 1.00 11.13 C ATOM 946 CH2 TRP A 63 -1.032 -33.832 -4.956 1.00 44.21 C ATOM 0 H TRP A 63 5.080 -37.443 -5.322 1.00 60.44 H new ATOM 0 HA TRP A 63 3.563 -35.741 -3.727 1.00 71.34 H new ATOM 0 HB2 TRP A 63 3.190 -38.435 -4.954 1.00 63.22 H new ATOM 0 HB3 TRP A 63 2.107 -38.046 -3.632 1.00 63.22 H new ATOM 0 HD1 TRP A 63 2.461 -37.538 -7.304 1.00 1.51 H new ATOM 0 HE1 TRP A 63 0.723 -35.841 -8.190 1.00 61.23 H new ATOM 0 HE3 TRP A 63 0.911 -35.634 -2.822 1.00 13.11 H new ATOM 0 HZ2 TRP A 63 -1.051 -33.967 -7.089 1.00 75.22 H new ATOM 0 HZ3 TRP A 63 -0.824 -33.886 -2.819 1.00 11.13 H new ATOM 0 HH2 TRP A 63 -1.791 -33.065 -4.927 1.00 44.21 H new ATOM 957 N THR A 64 4.893 -38.256 -2.072 1.00 15.20 N ATOM 958 CA THR A 64 5.188 -38.778 -0.738 1.00 15.11 C ATOM 959 C THR A 64 6.285 -37.958 -0.048 1.00 62.45 C ATOM 960 O THR A 64 6.565 -38.139 1.139 1.00 30.34 O ATOM 961 CB THR A 64 5.618 -40.259 -0.831 1.00 50.23 C ATOM 962 OG1 THR A 64 6.522 -40.427 -1.936 1.00 30.31 O ATOM 963 CG2 THR A 64 4.409 -41.174 -1.015 1.00 51.44 C ATOM 0 H THR A 64 5.390 -38.732 -2.825 1.00 15.20 H new ATOM 0 HA THR A 64 4.280 -38.701 -0.139 1.00 15.11 H new ATOM 0 HB THR A 64 6.114 -40.532 0.101 1.00 50.23 H new ATOM 0 HG1 THR A 64 6.796 -41.366 -1.994 1.00 30.31 H new ATOM 0 HG21 THR A 64 4.743 -42.210 -1.077 1.00 51.44 H new ATOM 0 HG22 THR A 64 3.734 -41.060 -0.166 1.00 51.44 H new ATOM 0 HG23 THR A 64 3.886 -40.906 -1.933 1.00 51.44 H new ATOM 971 N ASP A 65 6.893 -37.053 -0.803 1.00 40.42 N ATOM 972 CA ASP A 65 7.956 -36.185 -0.295 1.00 24.01 C ATOM 973 C ASP A 65 7.364 -35.048 0.537 1.00 55.12 C ATOM 974 O ASP A 65 7.136 -33.941 0.041 1.00 53.31 O ATOM 975 CB ASP A 65 8.785 -35.651 -1.476 1.00 53.54 C ATOM 976 CG ASP A 65 9.700 -34.484 -1.132 1.00 25.00 C ATOM 977 OD1 ASP A 65 10.658 -34.680 -0.357 1.00 23.21 O ATOM 978 OD2 ASP A 65 9.486 -33.379 -1.688 1.00 73.45 O ATOM 0 H ASP A 65 6.666 -36.897 -1.785 1.00 40.42 H new ATOM 0 HA ASP A 65 8.615 -36.756 0.359 1.00 24.01 H new ATOM 0 HB2 ASP A 65 9.390 -36.465 -1.875 1.00 53.54 H new ATOM 0 HB3 ASP A 65 8.105 -35.341 -2.269 1.00 53.54 H new ATOM 983 N ILE A 66 7.041 -35.369 1.792 1.00 10.53 N ATOM 984 CA ILE A 66 6.484 -34.405 2.746 1.00 43.50 C ATOM 985 C ILE A 66 6.932 -34.777 4.162 1.00 44.02 C ATOM 986 O ILE A 66 6.653 -35.887 4.625 1.00 1.50 O ATOM 987 CB ILE A 66 4.928 -34.386 2.718 1.00 55.33 C ATOM 988 CG1 ILE A 66 4.395 -34.188 1.287 1.00 3.24 C ATOM 989 CG2 ILE A 66 4.391 -33.291 3.642 1.00 4.12 C ATOM 990 CD1 ILE A 66 2.894 -34.325 1.165 1.00 50.03 C ATOM 0 H ILE A 66 7.158 -36.306 2.177 1.00 10.53 H new ATOM 0 HA ILE A 66 6.848 -33.418 2.461 1.00 43.50 H new ATOM 0 HB ILE A 66 4.576 -35.354 3.076 1.00 55.33 H new ATOM 0 HG12 ILE A 66 4.689 -33.199 0.934 1.00 3.24 H new ATOM 0 HG13 ILE A 66 4.871 -34.916 0.629 1.00 3.24 H new ATOM 0 HG21 ILE A 66 3.301 -33.291 3.611 1.00 4.12 H new ATOM 0 HG22 ILE A 66 4.725 -33.480 4.662 1.00 4.12 H new ATOM 0 HG23 ILE A 66 4.763 -32.321 3.312 1.00 4.12 H new ATOM 0 HD11 ILE A 66 2.598 -34.172 0.127 1.00 50.03 H new ATOM 0 HD12 ILE A 66 2.592 -35.322 1.485 1.00 50.03 H new ATOM 0 HD13 ILE A 66 2.408 -33.580 1.795 1.00 50.03 H new ATOM 1002 N ARG A 67 7.626 -33.868 4.844 1.00 43.45 N ATOM 1003 CA ARG A 67 8.116 -34.136 6.201 1.00 13.13 C ATOM 1004 C ARG A 67 6.969 -34.095 7.232 1.00 1.21 C ATOM 1005 O ARG A 67 6.765 -35.064 7.962 1.00 12.22 O ATOM 1006 CB ARG A 67 9.258 -33.159 6.568 1.00 43.33 C ATOM 1007 CG ARG A 67 9.851 -33.345 7.970 1.00 74.24 C ATOM 1008 CD ARG A 67 9.063 -32.594 9.040 1.00 40.03 C ATOM 1009 NE ARG A 67 9.577 -32.850 10.387 1.00 51.24 N ATOM 1010 CZ ARG A 67 8.874 -33.438 11.353 1.00 52.53 C ATOM 1011 NH1 ARG A 67 7.654 -33.899 11.105 1.00 23.02 N ATOM 1012 NH2 ARG A 67 9.405 -33.584 12.558 1.00 54.53 N ATOM 0 H ARG A 67 7.862 -32.943 4.485 1.00 43.45 H new ATOM 0 HA ARG A 67 8.524 -35.147 6.224 1.00 13.13 H new ATOM 0 HB2 ARG A 67 10.058 -33.268 5.835 1.00 43.33 H new ATOM 0 HB3 ARG A 67 8.884 -32.139 6.482 1.00 43.33 H new ATOM 0 HG2 ARG A 67 9.870 -34.407 8.215 1.00 74.24 H new ATOM 0 HG3 ARG A 67 10.884 -32.998 7.973 1.00 74.24 H new ATOM 0 HD2 ARG A 67 9.103 -31.524 8.835 1.00 40.03 H new ATOM 0 HD3 ARG A 67 8.015 -32.889 8.991 1.00 40.03 H new ATOM 0 HE ARG A 67 10.532 -32.560 10.598 1.00 51.24 H new ATOM 0 HH11 ARG A 67 7.252 -33.803 10.172 1.00 23.02 H new ATOM 0 HH12 ARG A 67 7.118 -34.349 11.847 1.00 23.02 H new ATOM 0 HH21 ARG A 67 10.349 -33.246 12.743 1.00 54.53 H new ATOM 0 HH22 ARG A 67 8.869 -34.034 13.300 1.00 54.53 H new ATOM 1026 N PRO A 68 6.212 -32.974 7.338 1.00 23.24 N ATOM 1027 CA PRO A 68 5.104 -32.868 8.289 1.00 52.12 C ATOM 1028 C PRO A 68 3.772 -33.308 7.679 1.00 32.14 C ATOM 1029 O PRO A 68 3.738 -33.960 6.636 1.00 54.14 O ATOM 1030 CB PRO A 68 5.092 -31.369 8.580 1.00 22.20 C ATOM 1031 CG PRO A 68 5.429 -30.750 7.265 1.00 33.01 C ATOM 1032 CD PRO A 68 6.372 -31.715 6.576 1.00 50.32 C ATOM 0 HA PRO A 68 5.229 -33.503 9.166 1.00 52.12 H new ATOM 0 HB2 PRO A 68 4.117 -31.039 8.940 1.00 22.20 H new ATOM 0 HB3 PRO A 68 5.821 -31.104 9.346 1.00 22.20 H new ATOM 0 HG2 PRO A 68 4.531 -30.589 6.668 1.00 33.01 H new ATOM 0 HG3 PRO A 68 5.899 -29.776 7.402 1.00 33.01 H new ATOM 0 HD2 PRO A 68 6.111 -31.848 5.526 1.00 50.32 H new ATOM 0 HD3 PRO A 68 7.401 -31.358 6.606 1.00 50.32 H new ATOM 1040 N LYS A 69 2.678 -32.939 8.336 1.00 33.43 N ATOM 1041 CA LYS A 69 1.336 -33.187 7.815 1.00 33.10 C ATOM 1042 C LYS A 69 0.849 -31.930 7.101 1.00 23.31 C ATOM 1043 O LYS A 69 -0.242 -31.427 7.363 1.00 52.50 O ATOM 1044 CB LYS A 69 0.374 -33.572 8.956 1.00 52.20 C ATOM 1045 CG LYS A 69 0.620 -34.958 9.568 1.00 34.14 C ATOM 1046 CD LYS A 69 1.956 -35.059 10.304 1.00 43.14 C ATOM 1047 CE LYS A 69 2.058 -34.060 11.454 1.00 61.40 C ATOM 1048 NZ LYS A 69 1.009 -34.270 12.486 1.00 11.42 N ATOM 0 H LYS A 69 2.694 -32.463 9.238 1.00 33.43 H new ATOM 0 HA LYS A 69 1.364 -34.019 7.112 1.00 33.10 H new ATOM 0 HB2 LYS A 69 0.451 -32.824 9.745 1.00 52.20 H new ATOM 0 HB3 LYS A 69 -0.648 -33.534 8.579 1.00 52.20 H new ATOM 0 HG2 LYS A 69 -0.188 -35.192 10.261 1.00 34.14 H new ATOM 0 HG3 LYS A 69 0.589 -35.708 8.778 1.00 34.14 H new ATOM 0 HD2 LYS A 69 2.080 -36.070 10.691 1.00 43.14 H new ATOM 0 HD3 LYS A 69 2.770 -34.885 9.601 1.00 43.14 H new ATOM 0 HE2 LYS A 69 3.041 -34.144 11.918 1.00 61.40 H new ATOM 0 HE3 LYS A 69 1.977 -33.047 11.059 1.00 61.40 H new ATOM 0 HZ1 LYS A 69 1.182 -33.635 13.291 1.00 11.42 H new ATOM 0 HZ2 LYS A 69 0.075 -34.065 12.078 1.00 11.42 H new ATOM 0 HZ3 LYS A 69 1.035 -35.257 12.812 1.00 11.42 H new ATOM 1062 N SER A 70 1.677 -31.435 6.191 1.00 2.31 N ATOM 1063 CA SER A 70 1.438 -30.158 5.538 1.00 33.04 C ATOM 1064 C SER A 70 0.359 -30.283 4.459 1.00 22.05 C ATOM 1065 O SER A 70 -0.720 -29.692 4.574 1.00 32.33 O ATOM 1066 CB SER A 70 2.751 -29.627 4.939 1.00 21.44 C ATOM 1067 OG SER A 70 2.613 -28.299 4.461 1.00 12.21 O ATOM 0 H SER A 70 2.529 -31.906 5.887 1.00 2.31 H new ATOM 0 HA SER A 70 1.076 -29.449 6.283 1.00 33.04 H new ATOM 0 HB2 SER A 70 3.535 -29.661 5.695 1.00 21.44 H new ATOM 0 HB3 SER A 70 3.067 -30.276 4.122 1.00 21.44 H new ATOM 0 HG SER A 70 2.653 -28.298 3.482 1.00 12.21 H new ATOM 1073 N LEU A 71 0.644 -31.072 3.427 1.00 31.13 N ATOM 1074 CA LEU A 71 -0.259 -31.203 2.291 1.00 15.23 C ATOM 1075 C LEU A 71 -1.453 -32.067 2.686 1.00 23.01 C ATOM 1076 O LEU A 71 -1.387 -33.297 2.664 1.00 0.43 O ATOM 1077 CB LEU A 71 0.489 -31.793 1.079 1.00 13.44 C ATOM 1078 CG LEU A 71 -0.171 -31.601 -0.305 1.00 41.44 C ATOM 1079 CD1 LEU A 71 -1.438 -32.439 -0.457 1.00 51.23 C ATOM 1080 CD2 LEU A 71 -0.472 -30.126 -0.557 1.00 31.11 C ATOM 0 H LEU A 71 1.495 -31.630 3.355 1.00 31.13 H new ATOM 0 HA LEU A 71 -0.628 -30.219 2.002 1.00 15.23 H new ATOM 0 HB2 LEU A 71 1.485 -31.351 1.045 1.00 13.44 H new ATOM 0 HB3 LEU A 71 0.621 -32.862 1.248 1.00 13.44 H new ATOM 0 HG LEU A 71 0.541 -31.949 -1.054 1.00 41.44 H new ATOM 0 HD11 LEU A 71 -1.868 -32.273 -1.445 1.00 51.23 H new ATOM 0 HD12 LEU A 71 -1.192 -33.495 -0.342 1.00 51.23 H new ATOM 0 HD13 LEU A 71 -2.160 -32.149 0.307 1.00 51.23 H new ATOM 0 HD21 LEU A 71 -0.936 -30.012 -1.536 1.00 31.11 H new ATOM 0 HD22 LEU A 71 -1.151 -29.757 0.212 1.00 31.11 H new ATOM 0 HD23 LEU A 71 0.456 -29.555 -0.526 1.00 31.11 H new ATOM 1092 N ARG A 72 -2.528 -31.403 3.086 1.00 14.22 N ATOM 1093 CA ARG A 72 -3.760 -32.068 3.498 1.00 4.30 C ATOM 1094 C ARG A 72 -4.862 -31.832 2.469 1.00 30.11 C ATOM 1095 O ARG A 72 -6.048 -31.995 2.757 1.00 10.34 O ATOM 1096 CB ARG A 72 -4.177 -31.549 4.882 1.00 53.44 C ATOM 1097 CG ARG A 72 -3.317 -32.099 6.019 1.00 5.31 C ATOM 1098 CD ARG A 72 -3.424 -31.252 7.283 1.00 1.01 C ATOM 1099 NE ARG A 72 -2.629 -30.023 7.188 1.00 45.33 N ATOM 1100 CZ ARG A 72 -2.681 -29.024 8.070 1.00 12.43 C ATOM 1101 NH1 ARG A 72 -3.554 -29.058 9.068 1.00 54.12 N ATOM 1102 NH2 ARG A 72 -1.863 -27.987 7.945 1.00 3.22 N ATOM 0 H ARG A 72 -2.572 -30.385 3.135 1.00 14.22 H new ATOM 0 HA ARG A 72 -3.591 -33.143 3.561 1.00 4.30 H new ATOM 0 HB2 ARG A 72 -4.120 -30.461 4.886 1.00 53.44 H new ATOM 0 HB3 ARG A 72 -5.219 -31.814 5.063 1.00 53.44 H new ATOM 0 HG2 ARG A 72 -3.622 -33.121 6.242 1.00 5.31 H new ATOM 0 HG3 ARG A 72 -2.276 -32.140 5.698 1.00 5.31 H new ATOM 0 HD2 ARG A 72 -4.468 -30.996 7.461 1.00 1.01 H new ATOM 0 HD3 ARG A 72 -3.089 -31.836 8.140 1.00 1.01 H new ATOM 0 HE ARG A 72 -1.995 -29.926 6.395 1.00 45.33 H new ATOM 0 HH11 ARG A 72 -4.189 -29.850 9.163 1.00 54.12 H new ATOM 0 HH12 ARG A 72 -3.590 -28.292 9.740 1.00 54.12 H new ATOM 0 HH21 ARG A 72 -1.195 -27.954 7.175 1.00 3.22 H new ATOM 0 HH22 ARG A 72 -1.902 -27.222 8.619 1.00 3.22 H new ATOM 1116 N GLU A 73 -4.450 -31.458 1.261 1.00 64.25 N ATOM 1117 CA GLU A 73 -5.379 -31.191 0.168 1.00 44.44 C ATOM 1118 C GLU A 73 -5.484 -32.416 -0.746 1.00 24.34 C ATOM 1119 O GLU A 73 -6.353 -33.264 -0.556 1.00 70.21 O ATOM 1120 CB GLU A 73 -4.909 -29.966 -0.635 1.00 2.40 C ATOM 1121 CG GLU A 73 -4.678 -28.717 0.211 1.00 2.13 C ATOM 1122 CD GLU A 73 -4.114 -27.559 -0.600 1.00 51.34 C ATOM 1123 OE1 GLU A 73 -4.900 -26.851 -1.261 1.00 3.40 O ATOM 1124 OE2 GLU A 73 -2.878 -27.367 -0.596 1.00 61.01 O ATOM 0 H GLU A 73 -3.469 -31.332 1.013 1.00 64.25 H new ATOM 0 HA GLU A 73 -6.364 -30.981 0.585 1.00 44.44 H new ATOM 0 HB2 GLU A 73 -3.983 -30.218 -1.152 1.00 2.40 H new ATOM 0 HB3 GLU A 73 -5.651 -29.741 -1.401 1.00 2.40 H new ATOM 0 HG2 GLU A 73 -5.620 -28.412 0.667 1.00 2.13 H new ATOM 0 HG3 GLU A 73 -3.992 -28.955 1.024 1.00 2.13 H new ATOM 1131 N LYS A 74 -4.561 -32.494 -1.717 1.00 70.24 N ATOM 1132 CA LYS A 74 -4.477 -33.584 -2.705 1.00 22.11 C ATOM 1133 C LYS A 74 -5.769 -33.738 -3.518 1.00 62.44 C ATOM 1134 O LYS A 74 -6.868 -33.452 -3.045 1.00 64.25 O ATOM 1135 CB LYS A 74 -4.085 -34.936 -2.056 1.00 3.23 C ATOM 1136 CG LYS A 74 -5.257 -35.804 -1.581 1.00 3.54 C ATOM 1137 CD LYS A 74 -4.794 -37.196 -1.145 1.00 75.42 C ATOM 1138 CE LYS A 74 -5.969 -38.113 -0.804 1.00 24.23 C ATOM 1139 NZ LYS A 74 -6.725 -37.639 0.386 1.00 24.03 N ATOM 0 H LYS A 74 -3.836 -31.787 -1.841 1.00 70.24 H new ATOM 0 HA LYS A 74 -3.682 -33.297 -3.393 1.00 22.11 H new ATOM 0 HB2 LYS A 74 -3.500 -35.508 -2.776 1.00 3.23 H new ATOM 0 HB3 LYS A 74 -3.435 -34.736 -1.204 1.00 3.23 H new ATOM 0 HG2 LYS A 74 -5.760 -35.311 -0.749 1.00 3.54 H new ATOM 0 HG3 LYS A 74 -5.988 -35.899 -2.384 1.00 3.54 H new ATOM 0 HD2 LYS A 74 -4.202 -37.647 -1.942 1.00 75.42 H new ATOM 0 HD3 LYS A 74 -4.142 -37.105 -0.276 1.00 75.42 H new ATOM 0 HE2 LYS A 74 -6.642 -38.172 -1.660 1.00 24.23 H new ATOM 0 HE3 LYS A 74 -5.599 -39.121 -0.619 1.00 24.23 H new ATOM 0 HZ1 LYS A 74 -7.491 -38.309 0.600 1.00 24.03 H new ATOM 0 HZ2 LYS A 74 -6.083 -37.574 1.202 1.00 24.03 H new ATOM 0 HZ3 LYS A 74 -7.130 -36.702 0.189 1.00 24.03 H new ATOM 1153 N LEU A 75 -5.616 -34.170 -4.763 1.00 35.34 N ATOM 1154 CA LEU A 75 -6.748 -34.514 -5.616 1.00 23.12 C ATOM 1155 C LEU A 75 -6.704 -36.009 -5.901 1.00 31.02 C ATOM 1156 O LEU A 75 -5.642 -36.546 -6.226 1.00 35.24 O ATOM 1157 CB LEU A 75 -6.721 -33.722 -6.938 1.00 12.51 C ATOM 1158 CG LEU A 75 -7.020 -32.212 -6.836 1.00 13.42 C ATOM 1159 CD1 LEU A 75 -5.911 -31.468 -6.092 1.00 51.34 C ATOM 1160 CD2 LEU A 75 -7.234 -31.608 -8.226 1.00 72.41 C ATOM 0 H LEU A 75 -4.707 -34.292 -5.210 1.00 35.34 H new ATOM 0 HA LEU A 75 -7.672 -34.253 -5.099 1.00 23.12 H new ATOM 0 HB2 LEU A 75 -5.738 -33.846 -7.391 1.00 12.51 H new ATOM 0 HB3 LEU A 75 -7.445 -34.169 -7.619 1.00 12.51 H new ATOM 0 HG LEU A 75 -7.939 -32.097 -6.261 1.00 13.42 H new ATOM 0 HD11 LEU A 75 -6.156 -30.407 -6.040 1.00 51.34 H new ATOM 0 HD12 LEU A 75 -5.818 -31.869 -5.083 1.00 51.34 H new ATOM 0 HD13 LEU A 75 -4.967 -31.597 -6.622 1.00 51.34 H new ATOM 0 HD21 LEU A 75 -7.444 -30.543 -8.131 1.00 72.41 H new ATOM 0 HD22 LEU A 75 -6.335 -31.749 -8.826 1.00 72.41 H new ATOM 0 HD23 LEU A 75 -8.076 -32.102 -8.712 1.00 72.41 H new ATOM 1172 N ALA A 76 -7.847 -36.675 -5.766 1.00 23.23 N ATOM 1173 CA ALA A 76 -7.934 -38.119 -5.972 1.00 45.32 C ATOM 1174 C ALA A 76 -7.643 -38.471 -7.428 1.00 65.42 C ATOM 1175 O ALA A 76 -8.563 -38.635 -8.233 1.00 13.14 O ATOM 1176 CB ALA A 76 -9.303 -38.641 -5.548 1.00 72.54 C ATOM 0 H ALA A 76 -8.732 -36.235 -5.513 1.00 23.23 H new ATOM 0 HA ALA A 76 -7.181 -38.602 -5.349 1.00 45.32 H new ATOM 0 HB1 ALA A 76 -9.348 -39.718 -5.709 1.00 72.54 H new ATOM 0 HB2 ALA A 76 -9.463 -38.425 -4.492 1.00 72.54 H new ATOM 0 HB3 ALA A 76 -10.078 -38.153 -6.140 1.00 72.54 H new ATOM 1182 N SER A 77 -6.351 -38.560 -7.748 1.00 75.32 N ATOM 1183 CA SER A 77 -5.872 -38.825 -9.104 1.00 12.25 C ATOM 1184 C SER A 77 -4.362 -38.589 -9.160 1.00 32.34 C ATOM 1185 O SER A 77 -3.637 -39.259 -9.903 1.00 31.55 O ATOM 1186 CB SER A 77 -6.574 -37.913 -10.126 1.00 55.35 C ATOM 1187 OG SER A 77 -6.233 -38.259 -11.459 1.00 45.41 O ATOM 0 H SER A 77 -5.601 -38.449 -7.066 1.00 75.32 H new ATOM 0 HA SER A 77 -6.099 -39.861 -9.357 1.00 12.25 H new ATOM 0 HB2 SER A 77 -7.654 -37.985 -9.996 1.00 55.35 H new ATOM 0 HB3 SER A 77 -6.298 -36.875 -9.937 1.00 55.35 H new ATOM 0 HG SER A 77 -6.697 -37.661 -12.081 1.00 45.41 H new ATOM 1193 N GLY A 78 -3.896 -37.633 -8.359 1.00 44.34 N ATOM 1194 CA GLY A 78 -2.495 -37.261 -8.368 1.00 72.14 C ATOM 1195 C GLY A 78 -2.193 -36.264 -9.469 1.00 74.32 C ATOM 1196 O GLY A 78 -2.462 -35.069 -9.324 1.00 34.32 O ATOM 0 H GLY A 78 -4.471 -37.107 -7.700 1.00 44.34 H new ATOM 0 HA2 GLY A 78 -2.225 -36.832 -7.403 1.00 72.14 H new ATOM 0 HA3 GLY A 78 -1.882 -38.152 -8.504 1.00 72.14 H new ATOM 1200 N GLN A 79 -1.659 -36.756 -10.581 1.00 65.34 N ATOM 1201 CA GLN A 79 -1.314 -35.906 -11.713 1.00 64.55 C ATOM 1202 C GLN A 79 -2.555 -35.622 -12.566 1.00 10.44 C ATOM 1203 O GLN A 79 -2.851 -36.353 -13.517 1.00 4.52 O ATOM 1204 CB GLN A 79 -0.218 -36.576 -12.553 1.00 32.42 C ATOM 1205 CG GLN A 79 0.437 -35.654 -13.575 1.00 42.23 C ATOM 1206 CD GLN A 79 1.545 -36.344 -14.351 1.00 52.43 C ATOM 1207 OE1 GLN A 79 1.317 -36.905 -15.422 1.00 31.31 O ATOM 1208 NE2 GLN A 79 2.752 -36.324 -13.809 1.00 13.30 N ATOM 0 H GLN A 79 -1.455 -37.745 -10.722 1.00 65.34 H new ATOM 0 HA GLN A 79 -0.935 -34.954 -11.340 1.00 64.55 H new ATOM 0 HB2 GLN A 79 0.551 -36.963 -11.884 1.00 32.42 H new ATOM 0 HB3 GLN A 79 -0.647 -37.431 -13.075 1.00 32.42 H new ATOM 0 HG2 GLN A 79 -0.320 -35.292 -14.271 1.00 42.23 H new ATOM 0 HG3 GLN A 79 0.844 -34.781 -13.065 1.00 42.23 H new ATOM 0 HE21 GLN A 79 2.904 -35.849 -12.919 1.00 13.30 H new ATOM 0 HE22 GLN A 79 3.531 -36.784 -14.281 1.00 13.30 H new ATOM 1217 N GLY A 80 -3.293 -34.576 -12.197 1.00 4.32 N ATOM 1218 CA GLY A 80 -4.507 -34.219 -12.912 1.00 64.22 C ATOM 1219 C GLY A 80 -4.964 -32.805 -12.594 1.00 51.02 C ATOM 1220 O GLY A 80 -4.612 -31.870 -13.349 1.00 40.05 O ATOM 1221 OXT GLY A 80 -5.664 -32.615 -11.575 1.00 0.00 O ATOM 0 H GLY A 80 -3.069 -33.967 -11.410 1.00 4.32 H new ATOM 0 HA2 GLY A 80 -4.336 -34.311 -13.984 1.00 64.22 H new ATOM 0 HA3 GLY A 80 -5.299 -34.922 -12.654 1.00 64.22 H new TER 1225 GLY A 80