USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 530 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 73 ASN : amide:sc= 0.462 K(o=1.7,f=-2.8) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -128:sc= 1.26 (180deg=0.641) USER MOD Set 2.1: A 23 HIS : no HE2:sc= -1.54 K(o=-2,f=-5!) USER MOD Set 2.2: A 37 SER OG : rot 120:sc= -0.491 USER MOD Single : A 25 TYR OH : rot -149:sc= 0.428 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -177:sc= -1.52 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -160:sc= -0.989 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 47 TYR OH : rot 60:sc= -3.29 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00621 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -158:sc= 0.184 (180deg=0.0436) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0748 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN :FLIP amide:sc= 0.497 F(o=-0.22,f=0.5) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 20 15.504 -8.955 21.177 1.00 62.11 N ATOM 2 CA LEU A 20 14.406 -8.937 20.218 1.00 20.41 C ATOM 3 C LEU A 20 14.304 -10.270 19.481 1.00 2.34 C ATOM 4 O LEU A 20 15.251 -11.055 19.435 1.00 61.13 O ATOM 5 CB LEU A 20 14.598 -7.800 19.214 1.00 52.04 C ATOM 6 CG LEU A 20 13.673 -6.593 19.382 1.00 64.20 C ATOM 7 CD1 LEU A 20 14.131 -5.729 20.547 1.00 75.20 C ATOM 8 CD2 LEU A 20 13.623 -5.777 18.098 1.00 60.24 C ATOM 0 HA LEU A 20 13.479 -8.775 20.768 1.00 20.41 H new ATOM 0 HB2 LEU A 20 15.630 -7.454 19.280 1.00 52.04 H new ATOM 0 HB3 LEU A 20 14.460 -8.201 18.210 1.00 52.04 H new ATOM 0 HG LEU A 20 12.668 -6.956 19.598 1.00 64.20 H new ATOM 0 HD11 LEU A 20 13.462 -4.875 20.652 1.00 75.20 H new ATOM 0 HD12 LEU A 20 14.115 -6.317 21.464 1.00 75.20 H new ATOM 0 HD13 LEU A 20 15.145 -5.375 20.361 1.00 75.20 H new ATOM 0 HD21 LEU A 20 12.960 -4.922 18.236 1.00 60.24 H new ATOM 0 HD22 LEU A 20 14.624 -5.424 17.852 1.00 60.24 H new ATOM 0 HD23 LEU A 20 13.248 -6.400 17.286 1.00 60.24 H new ATOM 20 N PRO A 21 13.129 -10.531 18.890 1.00 60.33 N ATOM 21 CA PRO A 21 12.877 -11.766 18.142 1.00 54.41 C ATOM 22 C PRO A 21 13.659 -11.822 16.834 1.00 1.12 C ATOM 23 O PRO A 21 13.846 -10.805 16.168 1.00 70.24 O ATOM 24 CB PRO A 21 11.373 -11.712 17.864 1.00 45.15 C ATOM 25 CG PRO A 21 11.035 -10.261 17.891 1.00 3.53 C ATOM 26 CD PRO A 21 11.957 -9.641 18.904 1.00 11.40 C ATOM 0 HA PRO A 21 13.190 -12.650 18.698 1.00 54.41 H new ATOM 0 HB2 PRO A 21 11.133 -12.157 16.898 1.00 45.15 H new ATOM 0 HB3 PRO A 21 10.811 -12.264 18.618 1.00 45.15 H new ATOM 0 HG2 PRO A 21 11.174 -9.809 16.909 1.00 3.53 H new ATOM 0 HG3 PRO A 21 9.992 -10.108 18.167 1.00 3.53 H new ATOM 0 HD2 PRO A 21 12.225 -8.620 18.632 1.00 11.40 H new ATOM 0 HD3 PRO A 21 11.498 -9.597 19.892 1.00 11.40 H new ATOM 34 N ALA A 22 14.115 -13.018 16.473 1.00 41.50 N ATOM 35 CA ALA A 22 14.875 -13.207 15.243 1.00 13.40 C ATOM 36 C ALA A 22 14.049 -13.946 14.196 1.00 51.54 C ATOM 37 O ALA A 22 12.929 -14.379 14.467 1.00 75.52 O ATOM 38 CB ALA A 22 16.164 -13.961 15.531 1.00 51.22 C ATOM 0 H ALA A 22 13.971 -13.870 17.015 1.00 41.50 H new ATOM 0 HA ALA A 22 15.124 -12.224 14.843 1.00 13.40 H new ATOM 0 HB1 ALA A 22 16.722 -14.095 14.604 1.00 51.22 H new ATOM 0 HB2 ALA A 22 16.768 -13.393 16.239 1.00 51.22 H new ATOM 0 HB3 ALA A 22 15.928 -14.936 15.957 1.00 51.22 H new ATOM 44 N HIS A 23 14.609 -14.085 12.999 1.00 22.43 N ATOM 45 CA HIS A 23 13.924 -14.773 11.909 1.00 13.20 C ATOM 46 C HIS A 23 14.760 -15.941 11.393 1.00 51.42 C ATOM 47 O HIS A 23 15.945 -15.802 11.093 1.00 13.44 O ATOM 48 CB HIS A 23 13.629 -13.798 10.770 1.00 71.52 C ATOM 49 CG HIS A 23 13.285 -12.417 11.235 1.00 0.54 C ATOM 50 ND1 HIS A 23 12.411 -12.169 12.273 1.00 10.40 N ATOM 51 CD2 HIS A 23 13.704 -11.205 10.801 1.00 73.14 C ATOM 52 CE1 HIS A 23 12.306 -10.865 12.455 1.00 44.54 C ATOM 53 NE2 HIS A 23 13.081 -10.257 11.574 1.00 33.43 N ATOM 0 H HIS A 23 15.535 -13.731 12.758 1.00 22.43 H new ATOM 0 HA HIS A 23 12.983 -15.166 12.294 1.00 13.20 H new ATOM 0 HB2 HIS A 23 14.498 -13.745 10.114 1.00 71.52 H new ATOM 0 HB3 HIS A 23 12.803 -14.188 10.174 1.00 71.52 H new ATOM 0 HD1 HIS A 23 11.922 -12.881 12.815 1.00 10.40 H new ATOM 0 HD2 HIS A 23 14.399 -11.019 9.996 1.00 73.14 H new ATOM 0 HE1 HIS A 23 11.691 -10.378 13.198 1.00 44.54 H new ATOM 61 N PRO A 24 14.128 -17.119 11.288 1.00 10.30 N ATOM 62 CA PRO A 24 14.793 -18.334 10.808 1.00 25.33 C ATOM 63 C PRO A 24 15.123 -18.265 9.321 1.00 33.50 C ATOM 64 O PRO A 24 14.524 -17.488 8.577 1.00 43.00 O ATOM 65 CB PRO A 24 13.764 -19.433 11.078 1.00 62.32 C ATOM 66 CG PRO A 24 12.451 -18.730 11.076 1.00 35.01 C ATOM 67 CD PRO A 24 12.715 -17.357 11.627 1.00 11.23 C ATOM 0 HA PRO A 24 15.750 -18.498 11.304 1.00 25.33 H new ATOM 0 HB2 PRO A 24 13.800 -20.207 10.311 1.00 62.32 H new ATOM 0 HB3 PRO A 24 13.949 -19.923 12.034 1.00 62.32 H new ATOM 0 HG2 PRO A 24 12.040 -18.673 10.068 1.00 35.01 H new ATOM 0 HG3 PRO A 24 11.723 -19.262 11.688 1.00 35.01 H new ATOM 0 HD2 PRO A 24 12.062 -16.610 11.175 1.00 11.23 H new ATOM 0 HD3 PRO A 24 12.548 -17.317 12.703 1.00 11.23 H new ATOM 75 N TYR A 25 16.078 -19.083 8.894 1.00 61.52 N ATOM 76 CA TYR A 25 16.488 -19.114 7.495 1.00 64.33 C ATOM 77 C TYR A 25 15.368 -19.652 6.610 1.00 72.42 C ATOM 78 O TYR A 25 15.217 -19.239 5.460 1.00 73.01 O ATOM 79 CB TYR A 25 17.743 -19.975 7.328 1.00 50.15 C ATOM 80 CG TYR A 25 18.227 -20.069 5.898 1.00 40.42 C ATOM 81 CD1 TYR A 25 17.670 -20.985 5.015 1.00 33.23 C ATOM 82 CD2 TYR A 25 19.240 -19.242 5.431 1.00 45.21 C ATOM 83 CE1 TYR A 25 18.110 -21.076 3.708 1.00 54.51 C ATOM 84 CE2 TYR A 25 19.685 -19.323 4.126 1.00 31.44 C ATOM 85 CZ TYR A 25 19.116 -20.243 3.268 1.00 44.32 C ATOM 86 OH TYR A 25 19.558 -20.328 1.968 1.00 72.33 O ATOM 0 H TYR A 25 16.583 -19.733 9.496 1.00 61.52 H new ATOM 0 HA TYR A 25 16.712 -18.093 7.186 1.00 64.33 H new ATOM 0 HB2 TYR A 25 18.541 -19.563 7.946 1.00 50.15 H new ATOM 0 HB3 TYR A 25 17.537 -20.979 7.700 1.00 50.15 H new ATOM 0 HD1 TYR A 25 16.880 -21.637 5.356 1.00 33.23 H new ATOM 0 HD2 TYR A 25 19.688 -18.522 6.100 1.00 45.21 H new ATOM 0 HE1 TYR A 25 17.668 -21.796 3.035 1.00 54.51 H new ATOM 0 HE2 TYR A 25 20.473 -18.671 3.779 1.00 31.44 H new ATOM 0 HH TYR A 25 20.508 -20.090 1.929 1.00 72.33 H new ATOM 96 N ASP A 26 14.585 -20.577 7.155 1.00 42.32 N ATOM 97 CA ASP A 26 13.476 -21.171 6.418 1.00 10.12 C ATOM 98 C ASP A 26 12.473 -20.104 5.991 1.00 21.42 C ATOM 99 O ASP A 26 11.768 -20.264 4.994 1.00 62.10 O ATOM 100 CB ASP A 26 12.779 -22.232 7.271 1.00 63.11 C ATOM 101 CG ASP A 26 12.810 -23.604 6.628 1.00 14.53 C ATOM 102 OD1 ASP A 26 13.917 -24.162 6.474 1.00 35.30 O ATOM 103 OD2 ASP A 26 11.727 -24.121 6.281 1.00 63.51 O ATOM 0 H ASP A 26 14.698 -20.932 8.105 1.00 42.32 H new ATOM 0 HA ASP A 26 13.879 -21.643 5.522 1.00 10.12 H new ATOM 0 HB2 ASP A 26 13.259 -22.281 8.248 1.00 63.11 H new ATOM 0 HB3 ASP A 26 11.743 -21.936 7.439 1.00 63.11 H new ATOM 108 N ARG A 27 12.414 -19.017 6.752 1.00 43.53 N ATOM 109 CA ARG A 27 11.496 -17.924 6.453 1.00 74.03 C ATOM 110 C ARG A 27 12.216 -16.792 5.726 1.00 61.01 C ATOM 111 O ARG A 27 11.596 -16.011 5.002 1.00 22.30 O ATOM 112 CB ARG A 27 10.862 -17.396 7.741 1.00 42.03 C ATOM 113 CG ARG A 27 9.713 -18.250 8.250 1.00 63.13 C ATOM 114 CD ARG A 27 9.057 -17.629 9.473 1.00 32.43 C ATOM 115 NE ARG A 27 7.926 -16.778 9.116 1.00 43.23 N ATOM 116 CZ ARG A 27 7.124 -16.208 10.007 1.00 13.43 C ATOM 117 NH1 ARG A 27 7.328 -16.398 11.304 1.00 70.11 N ATOM 118 NH2 ARG A 27 6.115 -15.446 9.605 1.00 63.14 N ATOM 0 H ARG A 27 12.991 -18.869 7.580 1.00 43.53 H new ATOM 0 HA ARG A 27 10.712 -18.309 5.801 1.00 74.03 H new ATOM 0 HB2 ARG A 27 11.628 -17.335 8.514 1.00 42.03 H new ATOM 0 HB3 ARG A 27 10.501 -16.382 7.569 1.00 42.03 H new ATOM 0 HG2 ARG A 27 8.971 -18.372 7.461 1.00 63.13 H new ATOM 0 HG3 ARG A 27 10.081 -19.246 8.499 1.00 63.13 H new ATOM 0 HD2 ARG A 27 8.718 -18.419 10.143 1.00 32.43 H new ATOM 0 HD3 ARG A 27 9.794 -17.041 10.020 1.00 32.43 H new ATOM 0 HE ARG A 27 7.742 -16.612 8.127 1.00 43.23 H new ATOM 0 HH11 ARG A 27 8.102 -16.983 11.618 1.00 70.11 H new ATOM 0 HH12 ARG A 27 6.711 -15.959 11.987 1.00 70.11 H new ATOM 0 HH21 ARG A 27 5.954 -15.297 8.609 1.00 63.14 H new ATOM 0 HH22 ARG A 27 5.500 -15.009 10.292 1.00 63.14 H new ATOM 132 N LEU A 28 13.527 -16.708 5.923 1.00 34.02 N ATOM 133 CA LEU A 28 14.331 -15.671 5.287 1.00 23.24 C ATOM 134 C LEU A 28 14.829 -16.130 3.920 1.00 60.21 C ATOM 135 O LEU A 28 15.313 -17.252 3.767 1.00 53.12 O ATOM 136 CB LEU A 28 15.520 -15.303 6.177 1.00 64.20 C ATOM 137 CG LEU A 28 15.773 -13.807 6.373 1.00 32.33 C ATOM 138 CD1 LEU A 28 14.950 -13.275 7.536 1.00 44.33 C ATOM 139 CD2 LEU A 28 17.254 -13.543 6.601 1.00 71.22 C ATOM 0 H LEU A 28 14.056 -17.346 6.518 1.00 34.02 H new ATOM 0 HA LEU A 28 13.702 -14.792 5.148 1.00 23.24 H new ATOM 0 HB2 LEU A 28 15.370 -15.757 7.156 1.00 64.20 H new ATOM 0 HB3 LEU A 28 16.419 -15.751 5.752 1.00 64.20 H new ATOM 0 HG LEU A 28 15.466 -13.284 5.468 1.00 32.33 H new ATOM 0 HD11 LEU A 28 15.143 -12.209 7.661 1.00 44.33 H new ATOM 0 HD12 LEU A 28 13.890 -13.431 7.333 1.00 44.33 H new ATOM 0 HD13 LEU A 28 15.226 -13.803 8.449 1.00 44.33 H new ATOM 0 HD21 LEU A 28 17.416 -12.474 6.739 1.00 71.22 H new ATOM 0 HD22 LEU A 28 17.586 -14.078 7.491 1.00 71.22 H new ATOM 0 HD23 LEU A 28 17.822 -13.888 5.737 1.00 71.22 H new ATOM 151 N LYS A 29 14.708 -15.255 2.928 1.00 40.54 N ATOM 152 CA LYS A 29 15.148 -15.567 1.574 1.00 42.14 C ATOM 153 C LYS A 29 16.048 -14.463 1.026 1.00 72.45 C ATOM 154 O LYS A 29 16.075 -13.351 1.552 1.00 5.15 O ATOM 155 CB LYS A 29 13.939 -15.758 0.654 1.00 45.15 C ATOM 156 CG LYS A 29 14.124 -16.862 -0.372 1.00 74.21 C ATOM 157 CD LYS A 29 12.792 -17.327 -0.936 1.00 41.22 C ATOM 158 CE LYS A 29 12.692 -17.054 -2.428 1.00 65.34 C ATOM 159 NZ LYS A 29 13.188 -18.203 -3.237 1.00 44.42 N ATOM 0 H LYS A 29 14.308 -14.323 3.037 1.00 40.54 H new ATOM 0 HA LYS A 29 15.720 -16.494 1.609 1.00 42.14 H new ATOM 0 HB2 LYS A 29 13.062 -15.982 1.262 1.00 45.15 H new ATOM 0 HB3 LYS A 29 13.736 -14.821 0.135 1.00 45.15 H new ATOM 0 HG2 LYS A 29 14.759 -16.504 -1.183 1.00 74.21 H new ATOM 0 HG3 LYS A 29 14.640 -17.705 0.088 1.00 74.21 H new ATOM 0 HD2 LYS A 29 12.671 -18.394 -0.752 1.00 41.22 H new ATOM 0 HD3 LYS A 29 11.979 -16.819 -0.417 1.00 41.22 H new ATOM 0 HE2 LYS A 29 11.655 -16.846 -2.690 1.00 65.34 H new ATOM 0 HE3 LYS A 29 13.268 -16.162 -2.673 1.00 65.34 H new ATOM 0 HZ1 LYS A 29 13.103 -17.978 -4.249 1.00 44.42 H new ATOM 0 HZ2 LYS A 29 14.185 -18.386 -3.006 1.00 44.42 H new ATOM 0 HZ3 LYS A 29 12.622 -19.049 -3.022 1.00 44.42 H new ATOM 173 N THR A 30 16.783 -14.779 -0.036 1.00 41.13 N ATOM 174 CA THR A 30 17.683 -13.815 -0.656 1.00 25.35 C ATOM 175 C THR A 30 16.930 -12.568 -1.106 1.00 72.34 C ATOM 176 O THR A 30 17.409 -11.446 -0.940 1.00 0.22 O ATOM 177 CB THR A 30 18.413 -14.426 -1.867 1.00 4.41 C ATOM 178 OG1 THR A 30 18.306 -15.853 -1.835 1.00 63.23 O ATOM 179 CG2 THR A 30 19.880 -14.022 -1.875 1.00 4.32 C ATOM 0 H THR A 30 16.772 -15.695 -0.484 1.00 41.13 H new ATOM 0 HA THR A 30 18.418 -13.538 0.100 1.00 25.35 H new ATOM 0 HB THR A 30 17.943 -14.048 -2.775 1.00 4.41 H new ATOM 0 HG1 THR A 30 18.812 -16.236 -2.582 1.00 63.23 H new ATOM 0 HG21 THR A 30 20.375 -14.465 -2.739 1.00 4.32 H new ATOM 0 HG22 THR A 30 19.958 -12.936 -1.930 1.00 4.32 H new ATOM 0 HG23 THR A 30 20.360 -14.375 -0.962 1.00 4.32 H new ATOM 187 N THR A 31 15.747 -12.773 -1.677 1.00 41.42 N ATOM 188 CA THR A 31 14.926 -11.665 -2.152 1.00 2.41 C ATOM 189 C THR A 31 13.508 -11.756 -1.600 1.00 41.15 C ATOM 190 O THR A 31 12.535 -11.545 -2.326 1.00 22.55 O ATOM 191 CB THR A 31 14.866 -11.631 -3.691 1.00 42.22 C ATOM 192 OG1 THR A 31 14.505 -12.921 -4.196 1.00 44.43 O ATOM 193 CG2 THR A 31 16.205 -11.208 -4.276 1.00 12.25 C ATOM 0 H THR A 31 15.336 -13.695 -1.822 1.00 41.42 H new ATOM 0 HA THR A 31 15.393 -10.748 -1.794 1.00 2.41 H new ATOM 0 HB THR A 31 14.112 -10.902 -3.987 1.00 42.22 H new ATOM 0 HG1 THR A 31 14.467 -12.890 -5.175 1.00 44.43 H new ATOM 0 HG21 THR A 31 16.138 -11.191 -5.364 1.00 12.25 H new ATOM 0 HG22 THR A 31 16.463 -10.213 -3.913 1.00 12.25 H new ATOM 0 HG23 THR A 31 16.975 -11.916 -3.971 1.00 12.25 H new ATOM 201 N SER A 32 13.397 -12.069 -0.314 1.00 40.11 N ATOM 202 CA SER A 32 12.096 -12.190 0.334 1.00 24.33 C ATOM 203 C SER A 32 11.635 -10.844 0.883 1.00 45.13 C ATOM 204 O SER A 32 12.449 -10.016 1.297 1.00 13.00 O ATOM 205 CB SER A 32 12.160 -13.220 1.464 1.00 4.43 C ATOM 206 OG SER A 32 11.435 -14.390 1.129 1.00 1.13 O ATOM 0 H SER A 32 14.192 -12.244 0.301 1.00 40.11 H new ATOM 0 HA SER A 32 11.375 -12.524 -0.412 1.00 24.33 H new ATOM 0 HB2 SER A 32 13.199 -13.478 1.667 1.00 4.43 H new ATOM 0 HB3 SER A 32 11.755 -12.787 2.379 1.00 4.43 H new ATOM 0 HG SER A 32 11.219 -14.886 1.946 1.00 1.13 H new ATOM 212 N THR A 33 10.323 -10.630 0.884 1.00 44.11 N ATOM 213 CA THR A 33 9.752 -9.384 1.380 1.00 25.22 C ATOM 214 C THR A 33 9.045 -9.597 2.714 1.00 45.22 C ATOM 215 O THR A 33 8.312 -8.727 3.183 1.00 71.01 O ATOM 216 CB THR A 33 8.753 -8.783 0.373 1.00 60.21 C ATOM 217 OG1 THR A 33 7.636 -9.663 0.206 1.00 34.43 O ATOM 218 CG2 THR A 33 9.420 -8.543 -0.974 1.00 21.34 C ATOM 0 H THR A 33 9.636 -11.304 0.547 1.00 44.11 H new ATOM 0 HA THR A 33 10.580 -8.689 1.517 1.00 25.22 H new ATOM 0 HB THR A 33 8.407 -7.827 0.766 1.00 60.21 H new ATOM 0 HG1 THR A 33 7.005 -9.273 -0.434 1.00 34.43 H new ATOM 0 HG21 THR A 33 8.695 -8.118 -1.668 1.00 21.34 H new ATOM 0 HG22 THR A 33 10.252 -7.850 -0.850 1.00 21.34 H new ATOM 0 HG23 THR A 33 9.791 -9.488 -1.370 1.00 21.34 H new ATOM 226 N ASP A 34 9.271 -10.757 3.319 1.00 22.11 N ATOM 227 CA ASP A 34 8.657 -11.083 4.601 1.00 4.11 C ATOM 228 C ASP A 34 8.896 -9.970 5.617 1.00 45.01 C ATOM 229 O ASP A 34 9.790 -9.137 5.463 1.00 60.15 O ATOM 230 CB ASP A 34 9.211 -12.404 5.135 1.00 13.14 C ATOM 231 CG ASP A 34 8.196 -13.528 5.065 1.00 64.24 C ATOM 232 OD1 ASP A 34 7.506 -13.641 4.028 1.00 1.35 O ATOM 233 OD2 ASP A 34 8.091 -14.295 6.043 1.00 11.24 O ATOM 0 H ASP A 34 9.875 -11.488 2.943 1.00 22.11 H new ATOM 0 HA ASP A 34 7.583 -11.185 4.445 1.00 4.11 H new ATOM 0 HB2 ASP A 34 10.096 -12.681 4.562 1.00 13.14 H new ATOM 0 HB3 ASP A 34 9.529 -12.270 6.169 1.00 13.14 H new ATOM 238 N PRO A 35 8.079 -9.953 6.680 1.00 45.34 N ATOM 239 CA PRO A 35 8.181 -8.946 7.742 1.00 63.41 C ATOM 240 C PRO A 35 9.438 -9.123 8.587 1.00 44.42 C ATOM 241 O PRO A 35 9.983 -10.222 8.685 1.00 10.42 O ATOM 242 CB PRO A 35 6.929 -9.193 8.586 1.00 35.13 C ATOM 243 CG PRO A 35 6.586 -10.623 8.346 1.00 14.22 C ATOM 244 CD PRO A 35 6.991 -10.914 6.928 1.00 45.22 C ATOM 0 HA PRO A 35 8.248 -7.935 7.341 1.00 63.41 H new ATOM 0 HB2 PRO A 35 7.120 -9.004 9.642 1.00 35.13 H new ATOM 0 HB3 PRO A 35 6.114 -8.535 8.287 1.00 35.13 H new ATOM 0 HG2 PRO A 35 7.114 -11.273 9.044 1.00 14.22 H new ATOM 0 HG3 PRO A 35 5.520 -10.798 8.491 1.00 14.22 H new ATOM 0 HD2 PRO A 35 7.329 -11.943 6.810 1.00 45.22 H new ATOM 0 HD3 PRO A 35 6.162 -10.770 6.236 1.00 45.22 H new ATOM 252 N VAL A 36 9.893 -8.032 9.197 1.00 71.12 N ATOM 253 CA VAL A 36 11.085 -8.067 10.036 1.00 40.33 C ATOM 254 C VAL A 36 10.886 -7.247 11.307 1.00 61.32 C ATOM 255 O VAL A 36 9.883 -6.551 11.457 1.00 14.40 O ATOM 256 CB VAL A 36 12.317 -7.534 9.282 1.00 42.02 C ATOM 257 CG1 VAL A 36 12.893 -8.609 8.372 1.00 51.43 C ATOM 258 CG2 VAL A 36 11.958 -6.287 8.488 1.00 13.13 C ATOM 0 H VAL A 36 9.454 -7.114 9.126 1.00 71.12 H new ATOM 0 HA VAL A 36 11.255 -9.110 10.303 1.00 40.33 H new ATOM 0 HB VAL A 36 13.079 -7.264 10.013 1.00 42.02 H new ATOM 0 HG11 VAL A 36 13.763 -8.214 7.847 1.00 51.43 H new ATOM 0 HG12 VAL A 36 13.190 -9.471 8.970 1.00 51.43 H new ATOM 0 HG13 VAL A 36 12.139 -8.914 7.646 1.00 51.43 H new ATOM 0 HG21 VAL A 36 12.841 -5.924 7.962 1.00 13.13 H new ATOM 0 HG22 VAL A 36 11.178 -6.528 7.766 1.00 13.13 H new ATOM 0 HG23 VAL A 36 11.598 -5.514 9.167 1.00 13.13 H new ATOM 268 N SER A 37 11.850 -7.334 12.218 1.00 63.33 N ATOM 269 CA SER A 37 11.780 -6.604 13.477 1.00 41.50 C ATOM 270 C SER A 37 12.391 -5.212 13.333 1.00 55.03 C ATOM 271 O SER A 37 12.636 -4.524 14.323 1.00 74.11 O ATOM 272 CB SER A 37 12.503 -7.378 14.581 1.00 42.24 C ATOM 273 OG SER A 37 11.676 -8.399 15.113 1.00 45.01 O ATOM 0 H SER A 37 12.689 -7.903 12.107 1.00 63.33 H new ATOM 0 HA SER A 37 10.730 -6.495 13.747 1.00 41.50 H new ATOM 0 HB2 SER A 37 13.418 -7.817 14.183 1.00 42.24 H new ATOM 0 HB3 SER A 37 12.798 -6.693 15.376 1.00 42.24 H new ATOM 0 HG SER A 37 12.105 -9.270 14.980 1.00 45.01 H new ATOM 279 N ASP A 38 12.632 -4.805 12.091 1.00 31.53 N ATOM 280 CA ASP A 38 13.213 -3.497 11.815 1.00 41.43 C ATOM 281 C ASP A 38 14.658 -3.430 12.299 1.00 50.24 C ATOM 282 O ASP A 38 14.943 -2.871 13.358 1.00 51.01 O ATOM 283 CB ASP A 38 12.387 -2.397 12.485 1.00 70.10 C ATOM 284 CG ASP A 38 12.531 -1.059 11.787 1.00 10.34 C ATOM 285 OD1 ASP A 38 13.041 -0.111 12.421 1.00 41.14 O ATOM 286 OD2 ASP A 38 12.133 -0.959 10.608 1.00 10.33 O ATOM 0 H ASP A 38 12.434 -5.362 11.260 1.00 31.53 H new ATOM 0 HA ASP A 38 13.203 -3.343 10.736 1.00 41.43 H new ATOM 0 HB2 ASP A 38 11.337 -2.689 12.492 1.00 70.10 H new ATOM 0 HB3 ASP A 38 12.697 -2.296 13.525 1.00 70.10 H new ATOM 291 N ILE A 39 15.565 -4.005 11.516 1.00 4.44 N ATOM 292 CA ILE A 39 16.980 -4.011 11.864 1.00 10.21 C ATOM 293 C ILE A 39 17.842 -3.606 10.674 1.00 41.25 C ATOM 294 O ILE A 39 17.329 -3.162 9.645 1.00 11.35 O ATOM 295 CB ILE A 39 17.431 -5.397 12.362 1.00 5.33 C ATOM 296 CG1 ILE A 39 16.308 -6.419 12.179 1.00 3.24 C ATOM 297 CG2 ILE A 39 17.856 -5.322 13.822 1.00 74.33 C ATOM 298 CD1 ILE A 39 16.660 -7.799 12.688 1.00 71.43 C ATOM 0 H ILE A 39 15.345 -4.473 10.637 1.00 4.44 H new ATOM 0 HA ILE A 39 17.110 -3.285 12.666 1.00 10.21 H new ATOM 0 HB ILE A 39 18.288 -5.719 11.771 1.00 5.33 H new ATOM 0 HG12 ILE A 39 15.417 -6.065 12.698 1.00 3.24 H new ATOM 0 HG13 ILE A 39 16.056 -6.484 11.121 1.00 3.24 H new ATOM 0 HG21 ILE A 39 18.172 -6.309 14.160 1.00 74.33 H new ATOM 0 HG22 ILE A 39 18.684 -4.621 13.924 1.00 74.33 H new ATOM 0 HG23 ILE A 39 17.016 -4.983 14.428 1.00 74.33 H new ATOM 0 HD11 ILE A 39 15.818 -8.472 12.526 1.00 71.43 H new ATOM 0 HD12 ILE A 39 17.532 -8.173 12.152 1.00 71.43 H new ATOM 0 HD13 ILE A 39 16.884 -7.748 13.754 1.00 71.43 H new ATOM 310 N ASP A 40 19.152 -3.762 10.818 1.00 22.01 N ATOM 311 CA ASP A 40 20.086 -3.415 9.752 1.00 13.00 C ATOM 312 C ASP A 40 19.613 -3.971 8.413 1.00 63.51 C ATOM 313 O ASP A 40 19.825 -5.144 8.106 1.00 14.44 O ATOM 314 CB ASP A 40 21.483 -3.948 10.076 1.00 60.10 C ATOM 315 CG ASP A 40 22.079 -3.301 11.310 1.00 52.43 C ATOM 316 OD1 ASP A 40 22.987 -3.905 11.918 1.00 13.04 O ATOM 317 OD2 ASP A 40 21.639 -2.188 11.666 1.00 42.22 O ATOM 0 H ASP A 40 19.593 -4.127 11.662 1.00 22.01 H new ATOM 0 HA ASP A 40 20.128 -2.328 9.678 1.00 13.00 H new ATOM 0 HB2 ASP A 40 21.432 -5.027 10.224 1.00 60.10 H new ATOM 0 HB3 ASP A 40 22.141 -3.774 9.225 1.00 60.10 H new ATOM 322 N VAL A 41 18.970 -3.121 7.620 1.00 63.44 N ATOM 323 CA VAL A 41 18.467 -3.527 6.312 1.00 12.51 C ATOM 324 C VAL A 41 19.599 -4.011 5.413 1.00 14.30 C ATOM 325 O VAL A 41 19.459 -5.003 4.697 1.00 14.31 O ATOM 326 CB VAL A 41 17.727 -2.372 5.611 1.00 13.44 C ATOM 327 CG1 VAL A 41 17.276 -2.792 4.221 1.00 42.20 C ATOM 328 CG2 VAL A 41 16.543 -1.912 6.449 1.00 4.33 C ATOM 0 H VAL A 41 18.785 -2.147 7.860 1.00 63.44 H new ATOM 0 HA VAL A 41 17.768 -4.346 6.483 1.00 12.51 H new ATOM 0 HB VAL A 41 18.415 -1.534 5.505 1.00 13.44 H new ATOM 0 HG11 VAL A 41 16.755 -1.963 3.742 1.00 42.20 H new ATOM 0 HG12 VAL A 41 18.145 -3.068 3.624 1.00 42.20 H new ATOM 0 HG13 VAL A 41 16.604 -3.646 4.299 1.00 42.20 H new ATOM 0 HG21 VAL A 41 16.032 -1.096 5.939 1.00 4.33 H new ATOM 0 HG22 VAL A 41 15.851 -2.743 6.588 1.00 4.33 H new ATOM 0 HG23 VAL A 41 16.897 -1.568 7.421 1.00 4.33 H new ATOM 338 N THR A 42 20.723 -3.302 5.454 1.00 71.44 N ATOM 339 CA THR A 42 21.880 -3.658 4.643 1.00 33.41 C ATOM 340 C THR A 42 22.473 -4.992 5.084 1.00 41.55 C ATOM 341 O THR A 42 23.230 -5.621 4.345 1.00 43.32 O ATOM 342 CB THR A 42 22.972 -2.575 4.716 1.00 24.33 C ATOM 343 OG1 THR A 42 22.623 -1.593 5.697 1.00 4.02 O ATOM 344 CG2 THR A 42 23.161 -1.904 3.364 1.00 64.11 C ATOM 0 H THR A 42 20.856 -2.478 6.040 1.00 71.44 H new ATOM 0 HA THR A 42 21.530 -3.742 3.614 1.00 33.41 H new ATOM 0 HB THR A 42 23.909 -3.054 5.000 1.00 24.33 H new ATOM 0 HG1 THR A 42 23.323 -0.909 5.738 1.00 4.02 H new ATOM 0 HG21 THR A 42 23.937 -1.143 3.441 1.00 64.11 H new ATOM 0 HG22 THR A 42 23.456 -2.650 2.626 1.00 64.11 H new ATOM 0 HG23 THR A 42 22.225 -1.438 3.055 1.00 64.11 H new ATOM 352 N ARG A 43 22.122 -5.417 6.293 1.00 33.43 N ATOM 353 CA ARG A 43 22.619 -6.677 6.833 1.00 23.14 C ATOM 354 C ARG A 43 21.467 -7.626 7.150 1.00 4.35 C ATOM 355 O ARG A 43 21.430 -8.237 8.219 1.00 70.03 O ATOM 356 CB ARG A 43 23.448 -6.424 8.094 1.00 4.32 C ATOM 357 CG ARG A 43 24.735 -5.658 7.834 1.00 14.53 C ATOM 358 CD ARG A 43 25.013 -4.646 8.934 1.00 12.20 C ATOM 359 NE ARG A 43 26.254 -3.913 8.703 1.00 63.41 N ATOM 360 CZ ARG A 43 26.663 -2.900 9.460 1.00 71.41 C ATOM 361 NH1 ARG A 43 25.932 -2.504 10.493 1.00 13.24 N ATOM 362 NH2 ARG A 43 27.804 -2.282 9.185 1.00 31.45 N ATOM 0 H ARG A 43 21.496 -4.908 6.917 1.00 33.43 H new ATOM 0 HA ARG A 43 23.252 -7.142 6.077 1.00 23.14 H new ATOM 0 HB2 ARG A 43 22.843 -5.869 8.811 1.00 4.32 H new ATOM 0 HB3 ARG A 43 23.692 -7.381 8.556 1.00 4.32 H new ATOM 0 HG2 ARG A 43 25.568 -6.358 7.763 1.00 14.53 H new ATOM 0 HG3 ARG A 43 24.667 -5.145 6.875 1.00 14.53 H new ATOM 0 HD2 ARG A 43 24.183 -3.942 8.997 1.00 12.20 H new ATOM 0 HD3 ARG A 43 25.069 -5.160 9.894 1.00 12.20 H new ATOM 0 HE ARG A 43 26.840 -4.194 7.917 1.00 63.41 H new ATOM 0 HH11 ARG A 43 25.054 -2.977 10.708 1.00 13.24 H new ATOM 0 HH12 ARG A 43 26.248 -1.726 11.073 1.00 13.24 H new ATOM 0 HH21 ARG A 43 28.369 -2.584 8.391 1.00 31.45 H new ATOM 0 HH22 ARG A 43 28.116 -1.505 9.767 1.00 31.45 H new ATOM 376 N ARG A 44 20.530 -7.743 6.215 1.00 14.25 N ATOM 377 CA ARG A 44 19.376 -8.616 6.397 1.00 22.14 C ATOM 378 C ARG A 44 19.815 -10.019 6.808 1.00 12.10 C ATOM 379 O ARG A 44 19.172 -10.662 7.637 1.00 51.34 O ATOM 380 CB ARG A 44 18.555 -8.684 5.108 1.00 1.21 C ATOM 381 CG ARG A 44 17.300 -9.532 5.230 1.00 54.12 C ATOM 382 CD ARG A 44 16.043 -8.704 5.008 1.00 63.31 C ATOM 383 NE ARG A 44 14.843 -9.394 5.472 1.00 10.45 N ATOM 384 CZ ARG A 44 13.618 -9.103 5.049 1.00 75.22 C ATOM 385 NH1 ARG A 44 13.433 -8.141 4.157 1.00 70.14 N ATOM 386 NH2 ARG A 44 12.575 -9.777 5.518 1.00 4.22 N ATOM 0 H ARG A 44 20.547 -7.245 5.325 1.00 14.25 H new ATOM 0 HA ARG A 44 18.758 -8.200 7.193 1.00 22.14 H new ATOM 0 HB2 ARG A 44 18.273 -7.673 4.813 1.00 1.21 H new ATOM 0 HB3 ARG A 44 19.179 -9.087 4.310 1.00 1.21 H new ATOM 0 HG2 ARG A 44 17.336 -10.343 4.503 1.00 54.12 H new ATOM 0 HG3 ARG A 44 17.265 -9.991 6.218 1.00 54.12 H new ATOM 0 HD2 ARG A 44 16.139 -7.753 5.531 1.00 63.31 H new ATOM 0 HD3 ARG A 44 15.942 -8.476 3.947 1.00 63.31 H new ATOM 0 HE ARG A 44 14.951 -10.140 6.159 1.00 10.45 H new ATOM 0 HH11 ARG A 44 14.232 -7.622 3.794 1.00 70.14 H new ATOM 0 HH12 ARG A 44 12.491 -7.919 3.834 1.00 70.14 H new ATOM 0 HH21 ARG A 44 12.714 -10.519 6.204 1.00 4.22 H new ATOM 0 HH22 ARG A 44 11.635 -9.553 5.193 1.00 4.22 H new ATOM 400 N GLU A 45 20.912 -10.486 6.220 1.00 33.13 N ATOM 401 CA GLU A 45 21.434 -11.813 6.525 1.00 51.14 C ATOM 402 C GLU A 45 21.706 -11.961 8.020 1.00 52.02 C ATOM 403 O GLU A 45 21.607 -13.056 8.573 1.00 3.30 O ATOM 404 CB GLU A 45 22.718 -12.075 5.735 1.00 41.12 C ATOM 405 CG GLU A 45 23.916 -11.291 6.244 1.00 64.24 C ATOM 406 CD GLU A 45 23.774 -9.798 6.019 1.00 1.22 C ATOM 407 OE1 GLU A 45 23.129 -9.406 5.025 1.00 65.25 O ATOM 408 OE2 GLU A 45 24.307 -9.021 6.839 1.00 0.31 O ATOM 0 H GLU A 45 21.456 -9.966 5.531 1.00 33.13 H new ATOM 0 HA GLU A 45 20.681 -12.546 6.235 1.00 51.14 H new ATOM 0 HB2 GLU A 45 22.948 -13.140 5.774 1.00 41.12 H new ATOM 0 HB3 GLU A 45 22.548 -11.824 4.688 1.00 41.12 H new ATOM 0 HG2 GLU A 45 24.046 -11.484 7.309 1.00 64.24 H new ATOM 0 HG3 GLU A 45 24.817 -11.646 5.744 1.00 64.24 H new ATOM 415 N ALA A 46 22.048 -10.851 8.665 1.00 13.42 N ATOM 416 CA ALA A 46 22.332 -10.857 10.096 1.00 62.13 C ATOM 417 C ALA A 46 21.064 -11.097 10.906 1.00 52.33 C ATOM 418 O ALA A 46 21.125 -11.395 12.099 1.00 73.41 O ATOM 419 CB ALA A 46 22.984 -9.546 10.509 1.00 65.10 C ATOM 0 H ALA A 46 22.135 -9.937 8.221 1.00 13.42 H new ATOM 0 HA ALA A 46 23.023 -11.675 10.301 1.00 62.13 H new ATOM 0 HB1 ALA A 46 23.191 -9.564 11.579 1.00 65.10 H new ATOM 0 HB2 ALA A 46 23.917 -9.415 9.961 1.00 65.10 H new ATOM 0 HB3 ALA A 46 22.312 -8.718 10.283 1.00 65.10 H new ATOM 425 N TYR A 47 19.915 -10.965 10.252 1.00 71.41 N ATOM 426 CA TYR A 47 18.631 -11.165 10.914 1.00 53.34 C ATOM 427 C TYR A 47 18.501 -12.595 11.430 1.00 43.35 C ATOM 428 O TYR A 47 17.613 -12.902 12.227 1.00 21.04 O ATOM 429 CB TYR A 47 17.484 -10.852 9.952 1.00 13.12 C ATOM 430 CG TYR A 47 17.429 -9.402 9.526 1.00 62.20 C ATOM 431 CD1 TYR A 47 16.509 -8.970 8.579 1.00 73.14 C ATOM 432 CD2 TYR A 47 18.298 -8.465 10.070 1.00 41.35 C ATOM 433 CE1 TYR A 47 16.455 -7.647 8.186 1.00 65.33 C ATOM 434 CE2 TYR A 47 18.251 -7.139 9.685 1.00 44.13 C ATOM 435 CZ TYR A 47 17.329 -6.735 8.741 1.00 33.04 C ATOM 436 OH TYR A 47 17.279 -5.416 8.354 1.00 63.32 O ATOM 0 H TYR A 47 19.847 -10.720 9.264 1.00 71.41 H new ATOM 0 HA TYR A 47 18.579 -10.485 11.764 1.00 53.34 H new ATOM 0 HB2 TYR A 47 17.583 -11.479 9.066 1.00 13.12 H new ATOM 0 HB3 TYR A 47 16.540 -11.118 10.427 1.00 13.12 H new ATOM 0 HD1 TYR A 47 15.824 -9.681 8.142 1.00 73.14 H new ATOM 0 HD2 TYR A 47 19.023 -8.778 10.807 1.00 41.35 H new ATOM 0 HE1 TYR A 47 15.733 -7.328 7.449 1.00 65.33 H new ATOM 0 HE2 TYR A 47 18.932 -6.423 10.120 1.00 44.13 H new ATOM 0 HH TYR A 47 16.393 -5.050 8.555 1.00 63.32 H new ATOM 446 N LEU A 48 19.392 -13.466 10.970 1.00 70.13 N ATOM 447 CA LEU A 48 19.379 -14.865 11.385 1.00 62.13 C ATOM 448 C LEU A 48 20.140 -15.052 12.693 1.00 11.44 C ATOM 449 O LEU A 48 20.940 -14.202 13.084 1.00 51.31 O ATOM 450 CB LEU A 48 19.993 -15.745 10.295 1.00 72.11 C ATOM 451 CG LEU A 48 19.030 -16.690 9.574 1.00 41.12 C ATOM 452 CD1 LEU A 48 19.720 -17.357 8.394 1.00 72.54 C ATOM 453 CD2 LEU A 48 18.487 -17.735 10.537 1.00 75.31 C ATOM 0 H LEU A 48 20.132 -13.229 10.310 1.00 70.13 H new ATOM 0 HA LEU A 48 18.342 -15.162 11.544 1.00 62.13 H new ATOM 0 HB2 LEU A 48 20.459 -15.097 9.552 1.00 72.11 H new ATOM 0 HB3 LEU A 48 20.789 -16.341 10.742 1.00 72.11 H new ATOM 0 HG LEU A 48 18.192 -16.104 9.195 1.00 41.12 H new ATOM 0 HD11 LEU A 48 19.020 -18.026 7.893 1.00 72.54 H new ATOM 0 HD12 LEU A 48 20.059 -16.595 7.692 1.00 72.54 H new ATOM 0 HD13 LEU A 48 20.577 -17.929 8.750 1.00 72.54 H new ATOM 0 HD21 LEU A 48 17.804 -18.398 10.007 1.00 75.31 H new ATOM 0 HD22 LEU A 48 19.313 -18.317 10.946 1.00 75.31 H new ATOM 0 HD23 LEU A 48 17.955 -17.240 11.349 1.00 75.31 H new ATOM 465 N SER A 49 19.886 -16.171 13.364 1.00 43.51 N ATOM 466 CA SER A 49 20.545 -16.469 14.630 1.00 1.51 C ATOM 467 C SER A 49 22.030 -16.749 14.417 1.00 75.43 C ATOM 468 O SER A 49 22.439 -17.212 13.351 1.00 55.33 O ATOM 469 CB SER A 49 19.879 -17.668 15.306 1.00 33.25 C ATOM 470 OG SER A 49 18.751 -17.266 16.063 1.00 35.21 O ATOM 0 H SER A 49 19.229 -16.886 13.052 1.00 43.51 H new ATOM 0 HA SER A 49 20.447 -15.597 15.277 1.00 1.51 H new ATOM 0 HB2 SER A 49 19.574 -18.392 14.551 1.00 33.25 H new ATOM 0 HB3 SER A 49 20.597 -18.168 15.956 1.00 33.25 H new ATOM 0 HG SER A 49 18.342 -18.051 16.483 1.00 35.21 H new ATOM 476 N SER A 50 22.832 -16.467 15.438 1.00 20.24 N ATOM 477 CA SER A 50 24.272 -16.686 15.362 1.00 3.32 C ATOM 478 C SER A 50 24.582 -18.108 14.907 1.00 23.30 C ATOM 479 O SER A 50 25.613 -18.360 14.284 1.00 3.32 O ATOM 480 CB SER A 50 24.922 -16.420 16.722 1.00 61.13 C ATOM 481 OG SER A 50 24.127 -16.935 17.776 1.00 21.31 O ATOM 0 H SER A 50 22.510 -16.086 16.328 1.00 20.24 H new ATOM 0 HA SER A 50 24.682 -15.991 14.629 1.00 3.32 H new ATOM 0 HB2 SER A 50 25.911 -16.877 16.752 1.00 61.13 H new ATOM 0 HB3 SER A 50 25.062 -15.348 16.858 1.00 61.13 H new ATOM 0 HG SER A 50 24.564 -16.754 18.634 1.00 21.31 H new ATOM 487 N GLU A 51 23.682 -19.034 15.223 1.00 4.22 N ATOM 488 CA GLU A 51 23.860 -20.431 14.847 1.00 24.45 C ATOM 489 C GLU A 51 23.550 -20.641 13.368 1.00 50.23 C ATOM 490 O GLU A 51 24.400 -21.095 12.603 1.00 2.54 O ATOM 491 CB GLU A 51 22.963 -21.331 15.700 1.00 51.51 C ATOM 492 CG GLU A 51 23.050 -21.041 17.190 1.00 4.01 C ATOM 493 CD GLU A 51 22.085 -21.879 18.005 1.00 43.31 C ATOM 494 OE1 GLU A 51 21.008 -22.226 17.475 1.00 51.34 O ATOM 495 OE2 GLU A 51 22.404 -22.188 19.172 1.00 62.44 O ATOM 0 H GLU A 51 22.823 -18.842 15.738 1.00 4.22 H new ATOM 0 HA GLU A 51 24.902 -20.697 15.023 1.00 24.45 H new ATOM 0 HB2 GLU A 51 21.929 -21.212 15.375 1.00 51.51 H new ATOM 0 HB3 GLU A 51 23.235 -22.372 15.524 1.00 51.51 H new ATOM 0 HG2 GLU A 51 24.067 -21.228 17.534 1.00 4.01 H new ATOM 0 HG3 GLU A 51 22.844 -19.985 17.363 1.00 4.01 H new ATOM 502 N GLU A 52 22.325 -20.306 12.973 1.00 34.01 N ATOM 503 CA GLU A 52 21.902 -20.460 11.586 1.00 2.01 C ATOM 504 C GLU A 52 22.757 -19.600 10.659 1.00 74.23 C ATOM 505 O GLU A 52 23.316 -20.092 9.679 1.00 70.55 O ATOM 506 CB GLU A 52 20.427 -20.082 11.435 1.00 44.04 C ATOM 507 CG GLU A 52 19.483 -21.268 11.523 1.00 51.32 C ATOM 508 CD GLU A 52 19.580 -22.182 10.317 1.00 52.31 C ATOM 509 OE1 GLU A 52 18.736 -22.051 9.405 1.00 11.44 O ATOM 510 OE2 GLU A 52 20.497 -23.028 10.286 1.00 65.44 O ATOM 0 H GLU A 52 21.609 -19.927 13.593 1.00 34.01 H new ATOM 0 HA GLU A 52 22.032 -21.505 11.306 1.00 2.01 H new ATOM 0 HB2 GLU A 52 20.164 -19.361 12.209 1.00 44.04 H new ATOM 0 HB3 GLU A 52 20.284 -19.585 10.475 1.00 44.04 H new ATOM 0 HG2 GLU A 52 19.705 -21.838 12.425 1.00 51.32 H new ATOM 0 HG3 GLU A 52 18.459 -20.906 11.619 1.00 51.32 H new ATOM 517 N PHE A 53 22.853 -18.314 10.976 1.00 2.12 N ATOM 518 CA PHE A 53 23.638 -17.384 10.171 1.00 21.52 C ATOM 519 C PHE A 53 25.037 -17.935 9.914 1.00 23.34 C ATOM 520 O PHE A 53 25.464 -18.072 8.768 1.00 55.24 O ATOM 521 CB PHE A 53 23.732 -16.026 10.869 1.00 35.33 C ATOM 522 CG PHE A 53 24.835 -15.155 10.338 1.00 41.23 C ATOM 523 CD1 PHE A 53 26.122 -15.262 10.838 1.00 0.23 C ATOM 524 CD2 PHE A 53 24.582 -14.229 9.339 1.00 24.11 C ATOM 525 CE1 PHE A 53 27.138 -14.461 10.352 1.00 63.54 C ATOM 526 CE2 PHE A 53 25.595 -13.426 8.847 1.00 12.33 C ATOM 527 CZ PHE A 53 26.874 -13.542 9.356 1.00 64.00 C ATOM 0 H PHE A 53 22.397 -17.891 11.785 1.00 2.12 H new ATOM 0 HA PHE A 53 23.135 -17.257 9.212 1.00 21.52 H new ATOM 0 HB2 PHE A 53 22.782 -15.503 10.759 1.00 35.33 H new ATOM 0 HB3 PHE A 53 23.887 -16.185 11.936 1.00 35.33 H new ATOM 0 HD1 PHE A 53 26.334 -15.980 11.617 1.00 0.23 H new ATOM 0 HD2 PHE A 53 23.583 -14.133 8.940 1.00 24.11 H new ATOM 0 HE1 PHE A 53 28.137 -14.554 10.751 1.00 63.54 H new ATOM 0 HE2 PHE A 53 25.386 -12.710 8.066 1.00 12.33 H new ATOM 0 HZ PHE A 53 27.666 -12.915 8.975 1.00 64.00 H new ATOM 537 N LYS A 54 25.749 -18.251 10.991 1.00 23.22 N ATOM 538 CA LYS A 54 27.101 -18.788 10.886 1.00 43.44 C ATOM 539 C LYS A 54 27.088 -20.174 10.250 1.00 42.24 C ATOM 540 O LYS A 54 28.086 -20.615 9.681 1.00 13.32 O ATOM 541 CB LYS A 54 27.755 -18.856 12.268 1.00 41.44 C ATOM 542 CG LYS A 54 27.509 -20.168 12.993 1.00 41.23 C ATOM 543 CD LYS A 54 28.626 -21.165 12.735 1.00 2.00 C ATOM 544 CE LYS A 54 29.164 -21.747 14.033 1.00 21.20 C ATOM 545 NZ LYS A 54 30.255 -22.731 13.789 1.00 23.02 N ATOM 0 H LYS A 54 25.412 -18.144 11.948 1.00 23.22 H new ATOM 0 HA LYS A 54 27.681 -18.120 10.249 1.00 43.44 H new ATOM 0 HB2 LYS A 54 28.829 -18.706 12.160 1.00 41.44 H new ATOM 0 HB3 LYS A 54 27.378 -18.036 12.880 1.00 41.44 H new ATOM 0 HG2 LYS A 54 27.425 -19.983 14.064 1.00 41.23 H new ATOM 0 HG3 LYS A 54 26.559 -20.592 12.668 1.00 41.23 H new ATOM 0 HD2 LYS A 54 28.257 -21.970 12.099 1.00 2.00 H new ATOM 0 HD3 LYS A 54 29.434 -20.675 12.192 1.00 2.00 H new ATOM 0 HE2 LYS A 54 29.536 -20.941 14.666 1.00 21.20 H new ATOM 0 HE3 LYS A 54 28.353 -22.231 14.578 1.00 21.20 H new ATOM 0 HZ1 LYS A 54 30.595 -23.105 14.698 1.00 23.02 H new ATOM 0 HZ2 LYS A 54 29.893 -23.513 13.207 1.00 23.02 H new ATOM 0 HZ3 LYS A 54 31.040 -22.263 13.292 1.00 23.02 H new ATOM 559 N GLU A 55 25.949 -20.855 10.348 1.00 4.40 N ATOM 560 CA GLU A 55 25.808 -22.190 9.781 1.00 34.13 C ATOM 561 C GLU A 55 25.652 -22.124 8.264 1.00 24.25 C ATOM 562 O GLU A 55 25.991 -23.069 7.552 1.00 20.50 O ATOM 563 CB GLU A 55 24.603 -22.904 10.397 1.00 31.22 C ATOM 564 CG GLU A 55 24.949 -23.738 11.620 1.00 64.00 C ATOM 565 CD GLU A 55 23.720 -24.186 12.387 1.00 62.45 C ATOM 566 OE1 GLU A 55 23.868 -24.586 13.561 1.00 54.12 O ATOM 567 OE2 GLU A 55 22.612 -24.139 11.813 1.00 50.44 O ATOM 0 H GLU A 55 25.113 -20.504 10.814 1.00 4.40 H new ATOM 0 HA GLU A 55 26.713 -22.752 10.012 1.00 34.13 H new ATOM 0 HB2 GLU A 55 23.854 -22.162 10.674 1.00 31.22 H new ATOM 0 HB3 GLU A 55 24.150 -23.549 9.644 1.00 31.22 H new ATOM 0 HG2 GLU A 55 25.518 -24.614 11.309 1.00 64.00 H new ATOM 0 HG3 GLU A 55 25.593 -23.158 12.280 1.00 64.00 H new ATOM 574 N LYS A 56 25.138 -21.001 7.777 1.00 50.41 N ATOM 575 CA LYS A 56 24.938 -20.808 6.345 1.00 24.02 C ATOM 576 C LYS A 56 26.151 -20.135 5.712 1.00 51.03 C ATOM 577 O LYS A 56 26.475 -20.381 4.551 1.00 72.43 O ATOM 578 CB LYS A 56 23.685 -19.967 6.093 1.00 45.31 C ATOM 579 CG LYS A 56 22.464 -20.790 5.725 1.00 54.03 C ATOM 580 CD LYS A 56 22.175 -21.857 6.767 1.00 74.33 C ATOM 581 CE LYS A 56 20.717 -22.294 6.729 1.00 25.44 C ATOM 582 NZ LYS A 56 20.548 -23.699 7.192 1.00 13.45 N ATOM 0 H LYS A 56 24.852 -20.209 8.353 1.00 50.41 H new ATOM 0 HA LYS A 56 24.808 -21.788 5.886 1.00 24.02 H new ATOM 0 HB2 LYS A 56 23.464 -19.384 6.987 1.00 45.31 H new ATOM 0 HB3 LYS A 56 23.889 -19.257 5.291 1.00 45.31 H new ATOM 0 HG2 LYS A 56 21.599 -20.134 5.625 1.00 54.03 H new ATOM 0 HG3 LYS A 56 22.621 -21.261 4.755 1.00 54.03 H new ATOM 0 HD2 LYS A 56 22.819 -22.719 6.594 1.00 74.33 H new ATOM 0 HD3 LYS A 56 22.415 -21.473 7.759 1.00 74.33 H new ATOM 0 HE2 LYS A 56 20.122 -21.631 7.357 1.00 25.44 H new ATOM 0 HE3 LYS A 56 20.335 -22.198 5.713 1.00 25.44 H new ATOM 0 HZ1 LYS A 56 19.657 -24.083 6.818 1.00 13.45 H new ATOM 0 HZ2 LYS A 56 21.344 -24.275 6.851 1.00 13.45 H new ATOM 0 HZ3 LYS A 56 20.525 -23.722 8.232 1.00 13.45 H new ATOM 596 N PHE A 57 26.820 -19.283 6.483 1.00 33.33 N ATOM 597 CA PHE A 57 27.998 -18.575 5.998 1.00 62.14 C ATOM 598 C PHE A 57 29.277 -19.241 6.496 1.00 63.51 C ATOM 599 O PHE A 57 30.373 -18.931 6.031 1.00 43.24 O ATOM 600 CB PHE A 57 27.962 -17.113 6.448 1.00 31.30 C ATOM 601 CG PHE A 57 26.795 -16.345 5.897 1.00 25.03 C ATOM 602 CD1 PHE A 57 26.702 -16.079 4.541 1.00 71.44 C ATOM 603 CD2 PHE A 57 25.792 -15.887 6.735 1.00 45.51 C ATOM 604 CE1 PHE A 57 25.629 -15.373 4.029 1.00 1.03 C ATOM 605 CE2 PHE A 57 24.718 -15.179 6.230 1.00 35.01 C ATOM 606 CZ PHE A 57 24.636 -14.921 4.876 1.00 24.25 C ATOM 0 H PHE A 57 26.565 -19.067 7.447 1.00 33.33 H new ATOM 0 HA PHE A 57 27.990 -18.613 4.909 1.00 62.14 H new ATOM 0 HB2 PHE A 57 27.929 -17.077 7.537 1.00 31.30 H new ATOM 0 HB3 PHE A 57 28.886 -16.624 6.141 1.00 31.30 H new ATOM 0 HD1 PHE A 57 27.477 -16.427 3.875 1.00 71.44 H new ATOM 0 HD2 PHE A 57 25.850 -16.085 7.795 1.00 45.51 H new ATOM 0 HE1 PHE A 57 25.567 -15.175 2.969 1.00 1.03 H new ATOM 0 HE2 PHE A 57 23.943 -14.827 6.895 1.00 35.01 H new ATOM 0 HZ PHE A 57 23.798 -14.367 4.480 1.00 24.25 H new ATOM 616 N GLY A 58 29.128 -20.159 7.447 1.00 71.15 N ATOM 617 CA GLY A 58 30.279 -20.855 7.993 1.00 43.15 C ATOM 618 C GLY A 58 31.160 -19.948 8.830 1.00 62.33 C ATOM 619 O GLY A 58 32.258 -20.336 9.229 1.00 43.22 O ATOM 0 H GLY A 58 28.231 -20.433 7.849 1.00 71.15 H new ATOM 0 HA2 GLY A 58 29.938 -21.691 8.604 1.00 43.15 H new ATOM 0 HA3 GLY A 58 30.867 -21.275 7.177 1.00 43.15 H new ATOM 623 N MET A 59 30.680 -18.738 9.094 1.00 11.12 N ATOM 624 CA MET A 59 31.433 -17.774 9.888 1.00 42.45 C ATOM 625 C MET A 59 30.534 -17.100 10.920 1.00 42.21 C ATOM 626 O MET A 59 29.381 -16.774 10.637 1.00 12.31 O ATOM 627 CB MET A 59 32.067 -16.718 8.980 1.00 21.04 C ATOM 628 CG MET A 59 32.573 -17.276 7.661 1.00 63.42 C ATOM 629 SD MET A 59 33.959 -16.336 6.994 1.00 71.21 S ATOM 630 CE MET A 59 35.207 -17.615 6.867 1.00 72.33 C ATOM 0 H MET A 59 29.773 -18.401 8.770 1.00 11.12 H new ATOM 0 HA MET A 59 32.222 -18.311 10.414 1.00 42.45 H new ATOM 0 HB2 MET A 59 31.334 -15.937 8.777 1.00 21.04 H new ATOM 0 HB3 MET A 59 32.896 -16.247 9.508 1.00 21.04 H new ATOM 0 HG2 MET A 59 32.877 -18.313 7.803 1.00 63.42 H new ATOM 0 HG3 MET A 59 31.759 -17.279 6.936 1.00 63.42 H new ATOM 0 HE1 MET A 59 36.127 -17.187 6.468 1.00 72.33 H new ATOM 0 HE2 MET A 59 35.400 -18.034 7.854 1.00 72.33 H new ATOM 0 HE3 MET A 59 34.854 -18.403 6.201 1.00 72.33 H new ATOM 640 N THR A 60 31.070 -16.894 12.119 1.00 13.41 N ATOM 641 CA THR A 60 30.316 -16.260 13.194 1.00 0.05 C ATOM 642 C THR A 60 30.019 -14.801 12.871 1.00 11.14 C ATOM 643 O THR A 60 30.321 -14.322 11.777 1.00 54.40 O ATOM 644 CB THR A 60 31.076 -16.334 14.532 1.00 63.11 C ATOM 645 OG1 THR A 60 32.138 -17.290 14.441 1.00 0.42 O ATOM 646 CG2 THR A 60 30.138 -16.715 15.667 1.00 23.34 C ATOM 0 H THR A 60 32.023 -17.157 12.370 1.00 13.41 H new ATOM 0 HA THR A 60 29.377 -16.806 13.287 1.00 0.05 H new ATOM 0 HB THR A 60 31.493 -15.349 14.742 1.00 63.11 H new ATOM 0 HG1 THR A 60 32.617 -17.329 15.295 1.00 0.42 H new ATOM 0 HG21 THR A 60 30.697 -16.761 16.601 1.00 23.34 H new ATOM 0 HG22 THR A 60 29.349 -15.968 15.753 1.00 23.34 H new ATOM 0 HG23 THR A 60 29.695 -17.689 15.461 1.00 23.34 H new ATOM 654 N LYS A 61 29.426 -14.097 13.829 1.00 61.11 N ATOM 655 CA LYS A 61 29.089 -12.689 13.648 1.00 35.41 C ATOM 656 C LYS A 61 30.347 -11.846 13.473 1.00 33.42 C ATOM 657 O LYS A 61 30.462 -11.076 12.521 1.00 53.22 O ATOM 658 CB LYS A 61 28.282 -12.179 14.844 1.00 35.02 C ATOM 659 CG LYS A 61 28.903 -12.519 16.187 1.00 34.54 C ATOM 660 CD LYS A 61 29.579 -11.311 16.812 1.00 51.31 C ATOM 661 CE LYS A 61 28.856 -10.857 18.071 1.00 41.13 C ATOM 662 NZ LYS A 61 27.709 -9.960 17.758 1.00 74.24 N ATOM 0 H LYS A 61 29.168 -14.478 14.739 1.00 61.11 H new ATOM 0 HA LYS A 61 28.485 -12.599 12.745 1.00 35.41 H new ATOM 0 HB2 LYS A 61 28.177 -11.097 14.766 1.00 35.02 H new ATOM 0 HB3 LYS A 61 27.278 -12.601 14.800 1.00 35.02 H new ATOM 0 HG2 LYS A 61 28.132 -12.894 16.860 1.00 34.54 H new ATOM 0 HG3 LYS A 61 29.632 -13.319 16.059 1.00 34.54 H new ATOM 0 HD2 LYS A 61 30.613 -11.556 17.053 1.00 51.31 H new ATOM 0 HD3 LYS A 61 29.605 -10.494 16.091 1.00 51.31 H new ATOM 0 HE2 LYS A 61 28.497 -11.729 18.618 1.00 41.13 H new ATOM 0 HE3 LYS A 61 29.556 -10.337 18.725 1.00 41.13 H new ATOM 0 HZ1 LYS A 61 27.242 -9.672 18.642 1.00 74.24 H new ATOM 0 HZ2 LYS A 61 28.055 -9.116 17.258 1.00 74.24 H new ATOM 0 HZ3 LYS A 61 27.028 -10.465 17.155 1.00 74.24 H new ATOM 676 N GLU A 62 31.289 -11.999 14.399 1.00 24.50 N ATOM 677 CA GLU A 62 32.540 -11.251 14.345 1.00 34.51 C ATOM 678 C GLU A 62 33.451 -11.793 13.247 1.00 44.42 C ATOM 679 O GLU A 62 34.237 -11.052 12.657 1.00 1.34 O ATOM 680 CB GLU A 62 33.257 -11.316 15.695 1.00 32.15 C ATOM 681 CG GLU A 62 33.654 -9.955 16.240 1.00 0.13 C ATOM 682 CD GLU A 62 33.282 -9.779 17.700 1.00 32.22 C ATOM 683 OE1 GLU A 62 32.519 -8.839 18.008 1.00 24.12 O ATOM 684 OE2 GLU A 62 33.753 -10.582 18.533 1.00 55.40 O ATOM 0 H GLU A 62 31.210 -12.633 15.194 1.00 24.50 H new ATOM 0 HA GLU A 62 32.303 -10.212 14.117 1.00 34.51 H new ATOM 0 HB2 GLU A 62 32.609 -11.812 16.417 1.00 32.15 H new ATOM 0 HB3 GLU A 62 34.151 -11.932 15.593 1.00 32.15 H new ATOM 0 HG2 GLU A 62 34.730 -9.821 16.125 1.00 0.13 H new ATOM 0 HG3 GLU A 62 33.171 -9.176 15.650 1.00 0.13 H new ATOM 691 N ALA A 63 33.338 -13.089 12.977 1.00 4.24 N ATOM 692 CA ALA A 63 34.149 -13.728 11.950 1.00 72.50 C ATOM 693 C ALA A 63 33.709 -13.297 10.555 1.00 64.44 C ATOM 694 O ALA A 63 34.528 -12.875 9.738 1.00 72.30 O ATOM 695 CB ALA A 63 34.073 -15.243 12.084 1.00 3.24 C ATOM 0 H ALA A 63 32.692 -13.717 13.456 1.00 4.24 H new ATOM 0 HA ALA A 63 35.183 -13.412 12.090 1.00 72.50 H new ATOM 0 HB1 ALA A 63 34.684 -15.708 11.310 1.00 3.24 H new ATOM 0 HB2 ALA A 63 34.443 -15.540 13.065 1.00 3.24 H new ATOM 0 HB3 ALA A 63 33.038 -15.567 11.973 1.00 3.24 H new ATOM 701 N PHE A 64 32.412 -13.404 10.289 1.00 74.40 N ATOM 702 CA PHE A 64 31.863 -13.027 8.992 1.00 41.10 C ATOM 703 C PHE A 64 32.085 -11.542 8.719 1.00 23.42 C ATOM 704 O PHE A 64 32.678 -11.167 7.707 1.00 30.11 O ATOM 705 CB PHE A 64 30.369 -13.350 8.933 1.00 41.45 C ATOM 706 CG PHE A 64 29.775 -13.191 7.562 1.00 42.13 C ATOM 707 CD1 PHE A 64 29.736 -14.260 6.681 1.00 42.30 C ATOM 708 CD2 PHE A 64 29.257 -11.973 7.154 1.00 53.43 C ATOM 709 CE1 PHE A 64 29.191 -14.118 5.420 1.00 51.12 C ATOM 710 CE2 PHE A 64 28.708 -11.825 5.893 1.00 2.11 C ATOM 711 CZ PHE A 64 28.676 -12.898 5.025 1.00 65.53 C ATOM 0 H PHE A 64 31.721 -13.749 10.955 1.00 74.40 H new ATOM 0 HA PHE A 64 32.382 -13.602 8.225 1.00 41.10 H new ATOM 0 HB2 PHE A 64 30.213 -14.374 9.271 1.00 41.45 H new ATOM 0 HB3 PHE A 64 29.837 -12.700 9.628 1.00 41.45 H new ATOM 0 HD1 PHE A 64 30.137 -15.216 6.984 1.00 42.30 H new ATOM 0 HD2 PHE A 64 29.282 -11.129 7.828 1.00 53.43 H new ATOM 0 HE1 PHE A 64 29.167 -14.959 4.743 1.00 51.12 H new ATOM 0 HE2 PHE A 64 28.305 -10.871 5.588 1.00 2.11 H new ATOM 0 HZ PHE A 64 28.249 -12.784 4.039 1.00 65.53 H new ATOM 721 N TYR A 65 31.606 -10.701 9.629 1.00 62.21 N ATOM 722 CA TYR A 65 31.749 -9.257 9.486 1.00 14.15 C ATOM 723 C TYR A 65 33.211 -8.871 9.287 1.00 30.32 C ATOM 724 O TYR A 65 33.518 -7.830 8.705 1.00 73.23 O ATOM 725 CB TYR A 65 31.185 -8.544 10.716 1.00 22.24 C ATOM 726 CG TYR A 65 29.676 -8.451 10.724 1.00 44.10 C ATOM 727 CD1 TYR A 65 28.981 -8.043 9.592 1.00 74.13 C ATOM 728 CD2 TYR A 65 28.946 -8.769 11.862 1.00 3.23 C ATOM 729 CE1 TYR A 65 27.602 -7.956 9.594 1.00 15.11 C ATOM 730 CE2 TYR A 65 27.567 -8.686 11.873 1.00 33.32 C ATOM 731 CZ TYR A 65 26.900 -8.279 10.737 1.00 72.32 C ATOM 732 OH TYR A 65 25.527 -8.193 10.744 1.00 73.15 O ATOM 0 H TYR A 65 31.115 -10.995 10.474 1.00 62.21 H new ATOM 0 HA TYR A 65 31.187 -8.947 8.605 1.00 14.15 H new ATOM 0 HB2 TYR A 65 31.513 -9.070 11.613 1.00 22.24 H new ATOM 0 HB3 TYR A 65 31.603 -7.538 10.766 1.00 22.24 H new ATOM 0 HD1 TYR A 65 29.528 -7.790 8.696 1.00 74.13 H new ATOM 0 HD2 TYR A 65 29.465 -9.087 12.754 1.00 3.23 H new ATOM 0 HE1 TYR A 65 27.077 -7.637 8.706 1.00 15.11 H new ATOM 0 HE2 TYR A 65 27.015 -8.938 12.766 1.00 33.32 H new ATOM 0 HH TYR A 65 25.187 -8.456 11.625 1.00 73.15 H new ATOM 742 N LYS A 66 34.111 -9.720 9.773 1.00 64.24 N ATOM 743 CA LYS A 66 35.543 -9.472 9.647 1.00 11.35 C ATOM 744 C LYS A 66 35.944 -9.324 8.183 1.00 42.44 C ATOM 745 O LYS A 66 36.863 -8.574 7.854 1.00 65.21 O ATOM 746 CB LYS A 66 36.337 -10.610 10.292 1.00 1.21 C ATOM 747 CG LYS A 66 37.446 -10.133 11.214 1.00 54.22 C ATOM 748 CD LYS A 66 37.625 -11.065 12.400 1.00 72.31 C ATOM 749 CE LYS A 66 39.082 -11.150 12.828 1.00 72.31 C ATOM 750 NZ LYS A 66 39.689 -12.462 12.472 1.00 1.13 N ATOM 0 H LYS A 66 33.874 -10.586 10.258 1.00 64.24 H new ATOM 0 HA LYS A 66 35.771 -8.539 10.163 1.00 11.35 H new ATOM 0 HB2 LYS A 66 35.653 -11.243 10.857 1.00 1.21 H new ATOM 0 HB3 LYS A 66 36.770 -11.230 9.507 1.00 1.21 H new ATOM 0 HG2 LYS A 66 38.381 -10.068 10.657 1.00 54.22 H new ATOM 0 HG3 LYS A 66 37.217 -9.129 11.571 1.00 54.22 H new ATOM 0 HD2 LYS A 66 37.019 -10.713 13.235 1.00 72.31 H new ATOM 0 HD3 LYS A 66 37.262 -12.060 12.140 1.00 72.31 H new ATOM 0 HE2 LYS A 66 39.647 -10.348 12.354 1.00 72.31 H new ATOM 0 HE3 LYS A 66 39.154 -10.997 13.905 1.00 72.31 H new ATOM 0 HZ1 LYS A 66 40.682 -12.480 12.780 1.00 1.13 H new ATOM 0 HZ2 LYS A 66 39.166 -13.226 12.945 1.00 1.13 H new ATOM 0 HZ3 LYS A 66 39.644 -12.597 11.442 1.00 1.13 H new ATOM 764 N LEU A 67 35.247 -10.041 7.309 1.00 60.32 N ATOM 765 CA LEU A 67 35.529 -9.989 5.878 1.00 13.34 C ATOM 766 C LEU A 67 35.206 -8.610 5.310 1.00 35.33 C ATOM 767 O LEU A 67 34.510 -7.805 5.929 1.00 45.24 O ATOM 768 CB LEU A 67 34.724 -11.060 5.140 1.00 21.11 C ATOM 769 CG LEU A 67 35.465 -12.361 4.829 1.00 42.41 C ATOM 770 CD1 LEU A 67 36.117 -12.917 6.086 1.00 72.03 C ATOM 771 CD2 LEU A 67 34.516 -13.382 4.221 1.00 33.24 C ATOM 0 H LEU A 67 34.482 -10.665 7.566 1.00 60.32 H new ATOM 0 HA LEU A 67 36.592 -10.181 5.734 1.00 13.34 H new ATOM 0 HB2 LEU A 67 33.844 -11.300 5.737 1.00 21.11 H new ATOM 0 HB3 LEU A 67 34.367 -10.635 4.202 1.00 21.11 H new ATOM 0 HG LEU A 67 36.249 -12.146 4.103 1.00 42.41 H new ATOM 0 HD11 LEU A 67 36.640 -13.843 5.846 1.00 72.03 H new ATOM 0 HD12 LEU A 67 36.828 -12.190 6.479 1.00 72.03 H new ATOM 0 HD13 LEU A 67 35.351 -13.117 6.835 1.00 72.03 H new ATOM 0 HD21 LEU A 67 35.060 -14.302 4.006 1.00 33.24 H new ATOM 0 HD22 LEU A 67 33.710 -13.593 4.924 1.00 33.24 H new ATOM 0 HD23 LEU A 67 34.097 -12.984 3.297 1.00 33.24 H new ATOM 783 N PRO A 68 35.720 -8.333 4.103 1.00 75.11 N ATOM 784 CA PRO A 68 35.496 -7.053 3.422 1.00 13.15 C ATOM 785 C PRO A 68 34.054 -6.889 2.955 1.00 73.01 C ATOM 786 O PRO A 68 33.263 -7.832 3.005 1.00 42.02 O ATOM 787 CB PRO A 68 36.443 -7.120 2.222 1.00 24.11 C ATOM 788 CG PRO A 68 36.626 -8.576 1.964 1.00 43.13 C ATOM 789 CD PRO A 68 36.558 -9.247 3.308 1.00 42.14 C ATOM 0 HA PRO A 68 35.679 -6.203 4.080 1.00 13.15 H new ATOM 0 HB2 PRO A 68 36.019 -6.615 1.354 1.00 24.11 H new ATOM 0 HB3 PRO A 68 37.394 -6.634 2.441 1.00 24.11 H new ATOM 0 HG2 PRO A 68 35.850 -8.955 1.299 1.00 43.13 H new ATOM 0 HG3 PRO A 68 37.583 -8.769 1.479 1.00 43.13 H new ATOM 0 HD2 PRO A 68 36.115 -10.241 3.239 1.00 42.14 H new ATOM 0 HD3 PRO A 68 37.548 -9.369 3.747 1.00 42.14 H new ATOM 797 N LYS A 69 33.718 -5.688 2.500 1.00 42.02 N ATOM 798 CA LYS A 69 32.371 -5.400 2.021 1.00 44.23 C ATOM 799 C LYS A 69 32.067 -6.185 0.749 1.00 52.35 C ATOM 800 O LYS A 69 31.020 -6.824 0.639 1.00 64.00 O ATOM 801 CB LYS A 69 32.210 -3.900 1.759 1.00 71.52 C ATOM 802 CG LYS A 69 30.768 -3.468 1.564 1.00 52.21 C ATOM 803 CD LYS A 69 30.607 -1.967 1.741 1.00 75.13 C ATOM 804 CE LYS A 69 29.145 -1.552 1.669 1.00 2.25 C ATOM 805 NZ LYS A 69 28.731 -0.771 2.869 1.00 53.11 N ATOM 0 H LYS A 69 34.360 -4.897 2.453 1.00 42.02 H new ATOM 0 HA LYS A 69 31.665 -5.705 2.793 1.00 44.23 H new ATOM 0 HB2 LYS A 69 32.636 -3.346 2.595 1.00 71.52 H new ATOM 0 HB3 LYS A 69 32.784 -3.631 0.872 1.00 71.52 H new ATOM 0 HG2 LYS A 69 30.432 -3.756 0.568 1.00 52.21 H new ATOM 0 HG3 LYS A 69 30.131 -3.990 2.278 1.00 52.21 H new ATOM 0 HD2 LYS A 69 31.025 -1.666 2.701 1.00 75.13 H new ATOM 0 HD3 LYS A 69 31.173 -1.446 0.969 1.00 75.13 H new ATOM 0 HE2 LYS A 69 28.981 -0.955 0.772 1.00 2.25 H new ATOM 0 HE3 LYS A 69 28.519 -2.440 1.580 1.00 2.25 H new ATOM 0 HZ1 LYS A 69 27.729 -0.507 2.782 1.00 53.11 H new ATOM 0 HZ2 LYS A 69 28.864 -1.350 3.723 1.00 53.11 H new ATOM 0 HZ3 LYS A 69 29.311 0.089 2.940 1.00 53.11 H new ATOM 819 N TRP A 70 32.986 -6.133 -0.207 1.00 23.34 N ATOM 820 CA TRP A 70 32.816 -6.840 -1.471 1.00 33.15 C ATOM 821 C TRP A 70 32.559 -8.325 -1.233 1.00 25.45 C ATOM 822 O TRP A 70 31.703 -8.929 -1.878 1.00 62.41 O ATOM 823 CB TRP A 70 34.053 -6.659 -2.352 1.00 50.25 C ATOM 824 CG TRP A 70 35.202 -7.533 -1.950 1.00 61.14 C ATOM 825 CD1 TRP A 70 36.190 -7.229 -1.058 1.00 33.24 C ATOM 826 CD2 TRP A 70 35.483 -8.852 -2.430 1.00 20.00 C ATOM 827 NE1 TRP A 70 37.068 -8.281 -0.953 1.00 20.21 N ATOM 828 CE2 TRP A 70 36.656 -9.289 -1.784 1.00 21.24 C ATOM 829 CE3 TRP A 70 34.857 -9.708 -3.340 1.00 14.44 C ATOM 830 CZ2 TRP A 70 37.214 -10.543 -2.021 1.00 50.22 C ATOM 831 CZ3 TRP A 70 35.411 -10.952 -3.575 1.00 24.44 C ATOM 832 CH2 TRP A 70 36.580 -11.360 -2.918 1.00 33.23 C ATOM 0 H TRP A 70 33.857 -5.608 -0.131 1.00 23.34 H new ATOM 0 HA TRP A 70 31.951 -6.417 -1.982 1.00 33.15 H new ATOM 0 HB2 TRP A 70 33.787 -6.874 -3.387 1.00 50.25 H new ATOM 0 HB3 TRP A 70 34.368 -5.616 -2.313 1.00 50.25 H new ATOM 0 HD1 TRP A 70 36.270 -6.299 -0.515 1.00 33.24 H new ATOM 0 HE1 TRP A 70 37.893 -8.307 -0.353 1.00 20.21 H new ATOM 0 HE3 TRP A 70 33.956 -9.403 -3.851 1.00 14.44 H new ATOM 0 HZ2 TRP A 70 38.114 -10.859 -1.515 1.00 50.22 H new ATOM 0 HZ3 TRP A 70 34.935 -11.621 -4.277 1.00 24.44 H new ATOM 0 HH2 TRP A 70 36.989 -12.338 -3.124 1.00 33.23 H new ATOM 843 N LYS A 71 33.308 -8.908 -0.303 1.00 63.23 N ATOM 844 CA LYS A 71 33.162 -10.322 0.022 1.00 60.45 C ATOM 845 C LYS A 71 31.925 -10.558 0.882 1.00 61.23 C ATOM 846 O LYS A 71 31.261 -11.587 0.761 1.00 21.42 O ATOM 847 CB LYS A 71 34.407 -10.831 0.751 1.00 24.31 C ATOM 848 CG LYS A 71 34.463 -12.343 0.878 1.00 71.00 C ATOM 849 CD LYS A 71 35.838 -12.816 1.316 1.00 63.31 C ATOM 850 CE LYS A 71 36.808 -12.872 0.146 1.00 62.14 C ATOM 851 NZ LYS A 71 37.634 -14.111 0.166 1.00 52.43 N ATOM 0 H LYS A 71 34.023 -8.423 0.239 1.00 63.23 H new ATOM 0 HA LYS A 71 33.045 -10.873 -0.911 1.00 60.45 H new ATOM 0 HB2 LYS A 71 35.295 -10.486 0.220 1.00 24.31 H new ATOM 0 HB3 LYS A 71 34.440 -10.390 1.747 1.00 24.31 H new ATOM 0 HG2 LYS A 71 33.716 -12.676 1.599 1.00 71.00 H new ATOM 0 HG3 LYS A 71 34.208 -12.799 -0.079 1.00 71.00 H new ATOM 0 HD2 LYS A 71 36.228 -12.145 2.081 1.00 63.31 H new ATOM 0 HD3 LYS A 71 35.757 -13.804 1.770 1.00 63.31 H new ATOM 0 HE2 LYS A 71 36.251 -12.823 -0.790 1.00 62.14 H new ATOM 0 HE3 LYS A 71 37.461 -12.000 0.174 1.00 62.14 H new ATOM 0 HZ1 LYS A 71 38.281 -14.110 -0.648 1.00 52.43 H new ATOM 0 HZ2 LYS A 71 38.185 -14.146 1.047 1.00 52.43 H new ATOM 0 HZ3 LYS A 71 37.013 -14.943 0.113 1.00 52.43 H new ATOM 865 N GLN A 72 31.621 -9.597 1.748 1.00 52.54 N ATOM 866 CA GLN A 72 30.462 -9.701 2.627 1.00 52.35 C ATOM 867 C GLN A 72 29.169 -9.759 1.820 1.00 12.10 C ATOM 868 O GLN A 72 28.264 -10.531 2.134 1.00 10.53 O ATOM 869 CB GLN A 72 30.420 -8.516 3.593 1.00 43.45 C ATOM 870 CG GLN A 72 30.996 -8.829 4.965 1.00 45.33 C ATOM 871 CD GLN A 72 30.744 -7.722 5.970 1.00 74.05 C ATOM 872 OE1 GLN A 72 29.482 -7.332 6.117 1.00 62.03 O flip ATOM 873 NE2 GLN A 72 31.670 -7.224 6.609 1.00 65.22 N flip ATOM 0 H GLN A 72 32.160 -8.738 1.860 1.00 52.54 H new ATOM 0 HA GLN A 72 30.554 -10.625 3.199 1.00 52.35 H new ATOM 0 HB2 GLN A 72 30.972 -7.683 3.158 1.00 43.45 H new ATOM 0 HB3 GLN A 72 29.387 -8.188 3.708 1.00 43.45 H new ATOM 0 HG2 GLN A 72 30.560 -9.757 5.335 1.00 45.33 H new ATOM 0 HG3 GLN A 72 32.069 -8.995 4.875 1.00 45.33 H new ATOM 0 HE21 GLN A 72 32.624 -7.554 6.465 1.00 65.22 H new ATOM 0 HE22 GLN A 72 31.483 -6.482 7.283 1.00 65.22 H new ATOM 882 N ASN A 73 29.090 -8.938 0.778 1.00 24.20 N ATOM 883 CA ASN A 73 27.907 -8.895 -0.075 1.00 31.32 C ATOM 884 C ASN A 73 27.820 -10.144 -0.947 1.00 22.34 C ATOM 885 O ASN A 73 26.733 -10.566 -1.340 1.00 73.11 O ATOM 886 CB ASN A 73 27.933 -7.645 -0.956 1.00 1.52 C ATOM 887 CG ASN A 73 26.868 -6.638 -0.562 1.00 21.34 C ATOM 888 OD1 ASN A 73 26.628 -6.404 0.623 1.00 74.54 O ATOM 889 ND2 ASN A 73 26.226 -6.038 -1.557 1.00 13.42 N ATOM 0 H ASN A 73 29.831 -8.293 0.504 1.00 24.20 H new ATOM 0 HA ASN A 73 27.027 -8.860 0.568 1.00 31.32 H new ATOM 0 HB2 ASN A 73 28.915 -7.177 -0.889 1.00 1.52 H new ATOM 0 HB3 ASN A 73 27.789 -7.934 -1.997 1.00 1.52 H new ATOM 0 HD21 ASN A 73 25.500 -5.351 -1.355 1.00 13.42 H new ATOM 0 HD22 ASN A 73 26.459 -6.264 -2.524 1.00 13.42 H new ATOM 896 N LYS A 74 28.975 -10.732 -1.246 1.00 12.10 N ATOM 897 CA LYS A 74 29.031 -11.933 -2.070 1.00 34.14 C ATOM 898 C LYS A 74 28.510 -13.144 -1.302 1.00 31.40 C ATOM 899 O LYS A 74 27.628 -13.860 -1.777 1.00 1.15 O ATOM 900 CB LYS A 74 30.465 -12.190 -2.535 1.00 31.31 C ATOM 901 CG LYS A 74 30.970 -11.171 -3.542 1.00 73.45 C ATOM 902 CD LYS A 74 30.636 -11.582 -4.967 1.00 34.43 C ATOM 903 CE LYS A 74 31.134 -10.557 -5.974 1.00 12.03 C ATOM 904 NZ LYS A 74 31.717 -11.204 -7.182 1.00 65.10 N ATOM 0 H LYS A 74 29.884 -10.395 -0.929 1.00 12.10 H new ATOM 0 HA LYS A 74 28.395 -11.776 -2.941 1.00 34.14 H new ATOM 0 HB2 LYS A 74 31.125 -12.189 -1.668 1.00 31.31 H new ATOM 0 HB3 LYS A 74 30.522 -13.185 -2.977 1.00 31.31 H new ATOM 0 HG2 LYS A 74 30.527 -10.198 -3.330 1.00 73.45 H new ATOM 0 HG3 LYS A 74 32.049 -11.059 -3.438 1.00 73.45 H new ATOM 0 HD2 LYS A 74 31.084 -12.552 -5.182 1.00 34.43 H new ATOM 0 HD3 LYS A 74 29.557 -11.700 -5.069 1.00 34.43 H new ATOM 0 HE2 LYS A 74 30.309 -9.909 -6.271 1.00 12.03 H new ATOM 0 HE3 LYS A 74 31.885 -9.922 -5.504 1.00 12.03 H new ATOM 0 HZ1 LYS A 74 32.045 -10.472 -7.844 1.00 65.10 H new ATOM 0 HZ2 LYS A 74 32.520 -11.802 -6.902 1.00 65.10 H new ATOM 0 HZ3 LYS A 74 30.994 -11.790 -7.645 1.00 65.10 H new ATOM 918 N PHE A 75 29.059 -13.366 -0.113 1.00 31.44 N ATOM 919 CA PHE A 75 28.650 -14.490 0.720 1.00 34.12 C ATOM 920 C PHE A 75 27.165 -14.401 1.063 1.00 20.32 C ATOM 921 O PHE A 75 26.453 -15.406 1.059 1.00 64.11 O ATOM 922 CB PHE A 75 29.479 -14.530 2.006 1.00 51.54 C ATOM 923 CG PHE A 75 30.285 -15.787 2.161 1.00 24.11 C ATOM 924 CD1 PHE A 75 29.718 -17.025 1.908 1.00 15.32 C ATOM 925 CD2 PHE A 75 31.611 -15.730 2.560 1.00 33.25 C ATOM 926 CE1 PHE A 75 30.458 -18.184 2.050 1.00 13.41 C ATOM 927 CE2 PHE A 75 32.356 -16.886 2.703 1.00 55.13 C ATOM 928 CZ PHE A 75 31.778 -18.114 2.449 1.00 13.23 C ATOM 0 H PHE A 75 29.789 -12.782 0.296 1.00 31.44 H new ATOM 0 HA PHE A 75 28.822 -15.407 0.157 1.00 34.12 H new ATOM 0 HB2 PHE A 75 30.152 -13.672 2.022 1.00 51.54 H new ATOM 0 HB3 PHE A 75 28.812 -14.428 2.862 1.00 51.54 H new ATOM 0 HD1 PHE A 75 28.686 -17.086 1.596 1.00 15.32 H new ATOM 0 HD2 PHE A 75 32.067 -14.772 2.761 1.00 33.25 H new ATOM 0 HE1 PHE A 75 30.004 -19.143 1.849 1.00 13.41 H new ATOM 0 HE2 PHE A 75 33.389 -16.829 3.013 1.00 55.13 H new ATOM 0 HZ PHE A 75 32.357 -19.018 2.562 1.00 13.23 H new ATOM 938 N LYS A 76 26.704 -13.191 1.359 1.00 51.14 N ATOM 939 CA LYS A 76 25.305 -12.968 1.703 1.00 64.24 C ATOM 940 C LYS A 76 24.382 -13.679 0.719 1.00 72.31 C ATOM 941 O LYS A 76 23.613 -14.561 1.101 1.00 44.33 O ATOM 942 CB LYS A 76 24.995 -11.469 1.716 1.00 72.14 C ATOM 943 CG LYS A 76 24.886 -10.882 3.112 1.00 62.21 C ATOM 944 CD LYS A 76 25.368 -9.441 3.151 1.00 73.15 C ATOM 945 CE LYS A 76 24.564 -8.560 2.206 1.00 1.22 C ATOM 946 NZ LYS A 76 24.718 -7.115 2.530 1.00 42.22 N ATOM 0 H LYS A 76 27.279 -12.349 1.368 1.00 51.14 H new ATOM 0 HA LYS A 76 25.132 -13.378 2.698 1.00 64.24 H new ATOM 0 HB2 LYS A 76 25.776 -10.940 1.169 1.00 72.14 H new ATOM 0 HB3 LYS A 76 24.060 -11.295 1.184 1.00 72.14 H new ATOM 0 HG2 LYS A 76 23.850 -10.929 3.448 1.00 62.21 H new ATOM 0 HG3 LYS A 76 25.474 -11.482 3.807 1.00 62.21 H new ATOM 0 HD2 LYS A 76 25.286 -9.056 4.167 1.00 73.15 H new ATOM 0 HD3 LYS A 76 26.423 -9.401 2.879 1.00 73.15 H new ATOM 0 HE2 LYS A 76 24.886 -8.739 1.180 1.00 1.22 H new ATOM 0 HE3 LYS A 76 23.511 -8.834 2.261 1.00 1.22 H new ATOM 0 HZ1 LYS A 76 23.779 -6.679 2.626 1.00 42.22 H new ATOM 0 HZ2 LYS A 76 25.240 -7.013 3.424 1.00 42.22 H new ATOM 0 HZ3 LYS A 76 25.243 -6.642 1.767 1.00 42.22 H new ATOM 960 N MET A 77 24.466 -13.293 -0.551 1.00 11.14 N ATOM 961 CA MET A 77 23.640 -13.898 -1.590 1.00 12.45 C ATOM 962 C MET A 77 24.035 -15.353 -1.820 1.00 24.13 C ATOM 963 O MET A 77 23.218 -16.168 -2.245 1.00 71.25 O ATOM 964 CB MET A 77 23.766 -13.110 -2.894 1.00 45.01 C ATOM 965 CG MET A 77 25.195 -12.994 -3.399 1.00 1.35 C ATOM 966 SD MET A 77 25.352 -11.857 -4.789 1.00 72.04 S ATOM 967 CE MET A 77 26.161 -12.905 -5.995 1.00 0.04 C ATOM 0 H MET A 77 25.097 -12.565 -0.885 1.00 11.14 H new ATOM 0 HA MET A 77 22.603 -13.871 -1.257 1.00 12.45 H new ATOM 0 HB2 MET A 77 23.157 -13.591 -3.660 1.00 45.01 H new ATOM 0 HB3 MET A 77 23.360 -12.110 -2.745 1.00 45.01 H new ATOM 0 HG2 MET A 77 25.837 -12.657 -2.585 1.00 1.35 H new ATOM 0 HG3 MET A 77 25.551 -13.980 -3.699 1.00 1.35 H new ATOM 0 HE1 MET A 77 26.327 -12.342 -6.913 1.00 0.04 H new ATOM 0 HE2 MET A 77 27.118 -13.243 -5.599 1.00 0.04 H new ATOM 0 HE3 MET A 77 25.531 -13.768 -6.208 1.00 0.04 H new ATOM 977 N ALA A 78 25.295 -15.671 -1.538 1.00 20.15 N ATOM 978 CA ALA A 78 25.798 -17.028 -1.714 1.00 1.32 C ATOM 979 C ALA A 78 24.928 -18.036 -0.970 1.00 64.25 C ATOM 980 O ALA A 78 24.635 -19.116 -1.485 1.00 12.23 O ATOM 981 CB ALA A 78 27.240 -17.121 -1.240 1.00 33.04 C ATOM 0 H ALA A 78 25.985 -15.007 -1.187 1.00 20.15 H new ATOM 0 HA ALA A 78 25.760 -17.269 -2.776 1.00 1.32 H new ATOM 0 HB1 ALA A 78 27.603 -18.140 -1.377 1.00 33.04 H new ATOM 0 HB2 ALA A 78 27.858 -16.434 -1.819 1.00 33.04 H new ATOM 0 HB3 ALA A 78 27.294 -16.856 -0.184 1.00 33.04 H new ATOM 987 N VAL A 79 24.518 -17.677 0.242 1.00 31.32 N ATOM 988 CA VAL A 79 23.681 -18.551 1.056 1.00 4.35 C ATOM 989 C VAL A 79 22.208 -18.181 0.922 1.00 32.54 C ATOM 990 O VAL A 79 21.377 -18.610 1.721 1.00 13.12 O ATOM 991 CB VAL A 79 24.083 -18.487 2.542 1.00 34.01 C ATOM 992 CG1 VAL A 79 25.589 -18.335 2.683 1.00 64.44 C ATOM 993 CG2 VAL A 79 23.356 -17.349 3.241 1.00 11.11 C ATOM 0 H VAL A 79 24.752 -16.787 0.682 1.00 31.32 H new ATOM 0 HA VAL A 79 23.832 -19.567 0.690 1.00 4.35 H new ATOM 0 HB VAL A 79 23.791 -19.422 3.020 1.00 34.01 H new ATOM 0 HG11 VAL A 79 25.853 -18.292 3.740 1.00 64.44 H new ATOM 0 HG12 VAL A 79 26.086 -19.187 2.220 1.00 64.44 H new ATOM 0 HG13 VAL A 79 25.910 -17.417 2.191 1.00 64.44 H new ATOM 0 HG21 VAL A 79 23.652 -17.318 4.290 1.00 11.11 H new ATOM 0 HG22 VAL A 79 23.615 -16.404 2.763 1.00 11.11 H new ATOM 0 HG23 VAL A 79 22.280 -17.508 3.172 1.00 11.11 H new ATOM 1003 N GLN A 80 21.894 -17.384 -0.093 1.00 1.11 N ATOM 1004 CA GLN A 80 20.520 -16.956 -0.331 1.00 23.14 C ATOM 1005 C GLN A 80 20.053 -15.995 0.757 1.00 12.44 C ATOM 1006 O GLN A 80 18.870 -15.955 1.099 1.00 41.23 O ATOM 1007 CB GLN A 80 19.590 -18.169 -0.391 1.00 43.31 C ATOM 1008 CG GLN A 80 20.165 -19.339 -1.174 1.00 2.32 C ATOM 1009 CD GLN A 80 19.137 -20.004 -2.067 1.00 5.20 C ATOM 1010 OE1 GLN A 80 17.954 -20.068 -1.732 1.00 2.32 O ATOM 1011 NE2 GLN A 80 19.584 -20.503 -3.214 1.00 34.13 N ATOM 0 H GLN A 80 22.571 -17.021 -0.764 1.00 1.11 H new ATOM 0 HA GLN A 80 20.488 -16.435 -1.288 1.00 23.14 H new ATOM 0 HB2 GLN A 80 19.368 -18.497 0.625 1.00 43.31 H new ATOM 0 HB3 GLN A 80 18.645 -17.869 -0.843 1.00 43.31 H new ATOM 0 HG2 GLN A 80 20.998 -18.989 -1.783 1.00 2.32 H new ATOM 0 HG3 GLN A 80 20.567 -20.075 -0.478 1.00 2.32 H new ATOM 0 HE21 GLN A 80 20.573 -20.428 -3.452 1.00 34.13 H new ATOM 0 HE22 GLN A 80 18.938 -20.961 -3.857 1.00 34.13 H new ATOM 1020 N LEU A 81 20.989 -15.223 1.300 1.00 33.01 N ATOM 1021 CA LEU A 81 20.673 -14.263 2.351 1.00 45.32 C ATOM 1022 C LEU A 81 21.156 -12.866 1.974 1.00 4.44 C ATOM 1023 O LEU A 81 22.319 -12.522 2.185 1.00 23.43 O ATOM 1024 CB LEU A 81 21.309 -14.695 3.673 1.00 74.30 C ATOM 1025 CG LEU A 81 20.567 -15.785 4.449 1.00 23.13 C ATOM 1026 CD1 LEU A 81 21.215 -16.007 5.808 1.00 71.14 C ATOM 1027 CD2 LEU A 81 19.098 -15.420 4.609 1.00 24.00 C ATOM 0 H LEU A 81 21.972 -15.244 1.029 1.00 33.01 H new ATOM 0 HA LEU A 81 19.590 -14.234 2.469 1.00 45.32 H new ATOM 0 HB2 LEU A 81 22.320 -15.046 3.469 1.00 74.30 H new ATOM 0 HB3 LEU A 81 21.399 -13.818 4.314 1.00 74.30 H new ATOM 0 HG LEU A 81 20.630 -16.714 3.883 1.00 23.13 H new ATOM 0 HD11 LEU A 81 20.674 -16.786 6.346 1.00 71.14 H new ATOM 0 HD12 LEU A 81 22.252 -16.314 5.671 1.00 71.14 H new ATOM 0 HD13 LEU A 81 21.184 -15.081 6.382 1.00 71.14 H new ATOM 0 HD21 LEU A 81 18.586 -16.207 5.163 1.00 24.00 H new ATOM 0 HD22 LEU A 81 19.014 -14.479 5.153 1.00 24.00 H new ATOM 0 HD23 LEU A 81 18.641 -15.312 3.625 1.00 24.00 H new ATOM 1039 N PHE A 82 20.255 -12.063 1.418 1.00 4.41 N ATOM 1040 CA PHE A 82 20.590 -10.702 1.013 1.00 34.12 C ATOM 1041 C PHE A 82 19.380 -9.782 1.148 1.00 72.21 C ATOM 1042 O PHE A 82 18.741 -9.431 0.157 1.00 72.51 O ATOM 1043 CB PHE A 82 21.097 -10.687 -0.430 1.00 70.45 C ATOM 1044 CG PHE A 82 21.696 -9.373 -0.841 1.00 51.33 C ATOM 1045 CD1 PHE A 82 20.938 -8.434 -1.523 1.00 60.41 C ATOM 1046 CD2 PHE A 82 23.016 -9.075 -0.546 1.00 64.14 C ATOM 1047 CE1 PHE A 82 21.486 -7.223 -1.903 1.00 52.43 C ATOM 1048 CE2 PHE A 82 23.569 -7.865 -0.923 1.00 74.11 C ATOM 1049 CZ PHE A 82 22.803 -6.939 -1.602 1.00 62.25 C ATOM 0 H PHE A 82 19.287 -12.331 1.237 1.00 4.41 H new ATOM 0 HA PHE A 82 21.378 -10.337 1.671 1.00 34.12 H new ATOM 0 HB2 PHE A 82 21.844 -11.472 -0.553 1.00 70.45 H new ATOM 0 HB3 PHE A 82 20.271 -10.926 -1.100 1.00 70.45 H new ATOM 0 HD1 PHE A 82 19.907 -8.651 -1.760 1.00 60.41 H new ATOM 0 HD2 PHE A 82 23.620 -9.796 -0.015 1.00 64.14 H new ATOM 0 HE1 PHE A 82 20.885 -6.500 -2.435 1.00 52.43 H new ATOM 0 HE2 PHE A 82 24.599 -7.645 -0.686 1.00 74.11 H new ATOM 0 HZ PHE A 82 23.233 -5.994 -1.897 1.00 62.25 H new TER 1059 PHE A 82