USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 905 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 106 THR OG1 : rot -147:sc= 0.728 USER MOD Set 1.2: A 111 HIS :FLIP no HD1:sc= -1.43! F(o=-1.6,f=-0.7!) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.533 K(o=0.84,f=-8.6!) USER MOD Set 2.2: A 69 SER OG : rot 73:sc= 1.38 USER MOD Set 3.1: A 18 HIS : no HE2:sc= -1.5 X(o=-0.55,f=-0.55) USER MOD Set 3.2: A 21 SER OG : rot -10:sc= 0.952 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0275 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -150:sc= -1.49 USER MOD Single : A 12 SER OG : rot -72:sc= 1.27 USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.09) USER MOD Single : A 19 SER OG : rot -93:sc= 1.24 USER MOD Single : A 20 GLN : amide:sc= -0.0541 X(o=-0.054,f=-0.064) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 109:sc= 0.567 USER MOD Single : A 29 GLN : amide:sc= 0.245 K(o=0.25,f=-5!) USER MOD Single : A 31 LYS NZ :NH3+ -112:sc= 1.24 (180deg=0.306) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 43:sc= 0.06 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 46 TYR OH : rot -42:sc= 0.817 USER MOD Single : A 48 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.12) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 1.21 (180deg=0.947) USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= 1.28 (180deg=1.18) USER MOD Single : A 52 SER OG : rot 87:sc= 0.1 USER MOD Single : A 59 SER OG : rot 180:sc= -0.231 USER MOD Single : A 62 SER OG : rot 79:sc= -1.36! USER MOD Single : A 63 GLN : amide:sc= 0.865 K(o=0.87,f=0) USER MOD Single : A 65 SER OG : rot -160:sc= 0.331 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.37) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0504 X(o=-0.05,f=-0.071) USER MOD Single : A 86 LYS NZ :NH3+ 157:sc= 1.31 (180deg=0.589) USER MOD Single : A 92 SER OG : rot 91:sc= 1.14 USER MOD Single : A 97 THR OG1 : rot -113:sc= 1.23 USER MOD Single : A 100 MET CE :methyl -167:sc= -2.23 (180deg=-2.72!) USER MOD Single : A 101 SER OG : rot 81:sc= -0.183 USER MOD Single : A 108 SER OG : rot 12:sc= 1.1 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.0676 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.833 -18.791 11.928 1.00 43.34 N ATOM 2 CA GLY A 1 1.553 -20.162 11.467 1.00 55.03 C ATOM 3 C GLY A 1 2.784 -21.037 11.525 1.00 21.43 C ATOM 4 O GLY A 1 3.630 -20.873 12.408 1.00 24.52 O ATOM 0 H1 GLY A 1 1.113 -18.504 12.621 1.00 43.34 H new ATOM 0 H2 GLY A 1 2.773 -18.759 12.372 1.00 43.34 H new ATOM 0 H3 GLY A 1 1.811 -18.141 11.117 1.00 43.34 H new ATOM 0 HA2 GLY A 1 0.767 -20.599 12.083 1.00 55.03 H new ATOM 0 HA3 GLY A 1 1.177 -20.132 10.444 1.00 55.03 H new ATOM 10 N SER A 2 2.897 -21.954 10.586 1.00 3.31 N ATOM 11 CA SER A 2 4.021 -22.867 10.543 1.00 53.24 C ATOM 12 C SER A 2 5.140 -22.299 9.669 1.00 14.24 C ATOM 13 O SER A 2 6.323 -22.452 9.976 1.00 33.20 O ATOM 14 CB SER A 2 3.564 -24.236 10.013 1.00 22.23 C ATOM 15 OG SER A 2 4.603 -25.197 10.081 1.00 33.42 O ATOM 0 H SER A 2 2.218 -22.087 9.837 1.00 3.31 H new ATOM 0 HA SER A 2 4.410 -22.994 11.553 1.00 53.24 H new ATOM 0 HB2 SER A 2 2.708 -24.583 10.592 1.00 22.23 H new ATOM 0 HB3 SER A 2 3.230 -24.134 8.981 1.00 22.23 H new ATOM 0 HG SER A 2 4.278 -26.055 9.738 1.00 33.42 H new ATOM 21 N HIS A 3 4.756 -21.624 8.597 1.00 21.40 N ATOM 22 CA HIS A 3 5.719 -21.054 7.667 1.00 12.11 C ATOM 23 C HIS A 3 6.103 -19.652 8.095 1.00 41.05 C ATOM 24 O HIS A 3 5.355 -18.698 7.883 1.00 1.14 O ATOM 25 CB HIS A 3 5.152 -21.032 6.243 1.00 65.23 C ATOM 26 CG HIS A 3 4.741 -22.381 5.740 1.00 14.21 C ATOM 27 ND1 HIS A 3 3.434 -22.715 5.466 1.00 20.11 N ATOM 28 CD2 HIS A 3 5.471 -23.487 5.470 1.00 73.32 C ATOM 29 CE1 HIS A 3 3.379 -23.964 5.054 1.00 44.33 C ATOM 30 NE2 HIS A 3 4.600 -24.453 5.047 1.00 12.13 N ATOM 0 H HIS A 3 3.781 -21.457 8.349 1.00 21.40 H new ATOM 0 HA HIS A 3 6.610 -21.681 7.675 1.00 12.11 H new ATOM 0 HB2 HIS A 3 4.290 -20.365 6.214 1.00 65.23 H new ATOM 0 HB3 HIS A 3 5.901 -20.615 5.569 1.00 65.23 H new ATOM 0 HD2 HIS A 3 6.542 -23.588 5.570 1.00 73.32 H new ATOM 0 HE1 HIS A 3 2.483 -24.497 4.770 1.00 44.33 H new ATOM 0 HE2 HIS A 3 4.856 -25.401 4.770 1.00 12.13 H new ATOM 39 N MET A 4 7.259 -19.533 8.706 1.00 52.04 N ATOM 40 CA MET A 4 7.742 -18.254 9.185 1.00 4.44 C ATOM 41 C MET A 4 8.807 -17.701 8.252 1.00 55.22 C ATOM 42 O MET A 4 9.930 -18.197 8.225 1.00 24.22 O ATOM 43 CB MET A 4 8.305 -18.393 10.604 1.00 4.54 C ATOM 44 CG MET A 4 8.792 -17.085 11.212 1.00 10.41 C ATOM 45 SD MET A 4 9.472 -17.302 12.870 1.00 13.14 S ATOM 46 CE MET A 4 9.891 -15.611 13.289 1.00 64.32 C ATOM 0 H MET A 4 7.890 -20.314 8.885 1.00 52.04 H new ATOM 0 HA MET A 4 6.904 -17.558 9.206 1.00 4.44 H new ATOM 0 HB2 MET A 4 7.535 -18.816 11.249 1.00 4.54 H new ATOM 0 HB3 MET A 4 9.132 -19.103 10.587 1.00 4.54 H new ATOM 0 HG2 MET A 4 9.553 -16.649 10.565 1.00 10.41 H new ATOM 0 HG3 MET A 4 7.964 -16.377 11.252 1.00 10.41 H new ATOM 0 HE1 MET A 4 10.324 -15.580 14.289 1.00 64.32 H new ATOM 0 HE2 MET A 4 10.613 -15.226 12.569 1.00 64.32 H new ATOM 0 HE3 MET A 4 8.991 -14.996 13.264 1.00 64.32 H new ATOM 56 N GLU A 5 8.429 -16.688 7.476 1.00 32.34 N ATOM 57 CA GLU A 5 9.337 -16.007 6.546 1.00 71.14 C ATOM 58 C GLU A 5 9.867 -16.961 5.457 1.00 62.41 C ATOM 59 O GLU A 5 10.974 -17.494 5.564 1.00 44.35 O ATOM 60 CB GLU A 5 10.495 -15.352 7.311 1.00 70.31 C ATOM 61 CG GLU A 5 11.380 -14.458 6.466 1.00 1.33 C ATOM 62 CD GLU A 5 12.484 -13.829 7.276 1.00 73.52 C ATOM 63 OE1 GLU A 5 12.247 -12.765 7.884 1.00 23.22 O ATOM 64 OE2 GLU A 5 13.592 -14.397 7.324 1.00 33.25 O ATOM 0 H GLU A 5 7.481 -16.312 7.472 1.00 32.34 H new ATOM 0 HA GLU A 5 8.767 -15.228 6.040 1.00 71.14 H new ATOM 0 HB2 GLU A 5 10.085 -14.764 8.132 1.00 70.31 H new ATOM 0 HB3 GLU A 5 11.109 -16.135 7.755 1.00 70.31 H new ATOM 0 HG2 GLU A 5 11.813 -15.041 5.653 1.00 1.33 H new ATOM 0 HG3 GLU A 5 10.774 -13.675 6.009 1.00 1.33 H new ATOM 71 N PRO A 6 9.058 -17.206 4.413 1.00 52.24 N ATOM 72 CA PRO A 6 9.433 -18.065 3.294 1.00 60.31 C ATOM 73 C PRO A 6 10.194 -17.294 2.205 1.00 74.22 C ATOM 74 O PRO A 6 10.719 -16.201 2.447 1.00 21.13 O ATOM 75 CB PRO A 6 8.069 -18.545 2.746 1.00 10.41 C ATOM 76 CG PRO A 6 7.020 -17.834 3.559 1.00 3.31 C ATOM 77 CD PRO A 6 7.711 -16.696 4.248 1.00 31.10 C ATOM 0 HA PRO A 6 10.099 -18.872 3.601 1.00 60.31 H new ATOM 0 HB2 PRO A 6 7.969 -18.307 1.687 1.00 10.41 H new ATOM 0 HB3 PRO A 6 7.969 -19.626 2.841 1.00 10.41 H new ATOM 0 HG2 PRO A 6 6.216 -17.469 2.920 1.00 3.31 H new ATOM 0 HG3 PRO A 6 6.568 -18.510 4.285 1.00 3.31 H new ATOM 0 HD2 PRO A 6 7.692 -15.786 3.649 1.00 31.10 H new ATOM 0 HD3 PRO A 6 7.246 -16.458 5.205 1.00 31.10 H new ATOM 85 N ALA A 7 10.250 -17.870 1.010 1.00 72.44 N ATOM 86 CA ALA A 7 10.918 -17.234 -0.114 1.00 72.05 C ATOM 87 C ALA A 7 9.959 -16.319 -0.857 1.00 41.32 C ATOM 88 O ALA A 7 10.341 -15.250 -1.332 1.00 31.11 O ATOM 89 CB ALA A 7 11.488 -18.283 -1.058 1.00 21.15 C ATOM 0 H ALA A 7 9.839 -18.779 0.796 1.00 72.44 H new ATOM 0 HA ALA A 7 11.740 -16.632 0.272 1.00 72.05 H new ATOM 0 HB1 ALA A 7 11.984 -17.789 -1.893 1.00 21.15 H new ATOM 0 HB2 ALA A 7 12.208 -18.902 -0.522 1.00 21.15 H new ATOM 0 HB3 ALA A 7 10.680 -18.910 -1.435 1.00 21.15 H new ATOM 95 N ARG A 8 8.717 -16.745 -0.955 1.00 35.44 N ATOM 96 CA ARG A 8 7.690 -15.972 -1.623 1.00 12.44 C ATOM 97 C ARG A 8 6.509 -15.772 -0.694 1.00 23.21 C ATOM 98 O ARG A 8 6.017 -16.726 -0.088 1.00 25.33 O ATOM 99 CB ARG A 8 7.236 -16.673 -2.907 1.00 23.25 C ATOM 100 CG ARG A 8 8.322 -16.783 -3.968 1.00 64.43 C ATOM 101 CD ARG A 8 7.852 -17.597 -5.162 1.00 34.33 C ATOM 102 NE ARG A 8 6.687 -17.000 -5.821 1.00 12.53 N ATOM 103 CZ ARG A 8 5.937 -17.627 -6.731 1.00 31.41 C ATOM 104 NH1 ARG A 8 6.230 -18.863 -7.097 1.00 31.54 N ATOM 105 NH2 ARG A 8 4.894 -17.013 -7.269 1.00 54.35 N ATOM 0 H ARG A 8 8.391 -17.634 -0.575 1.00 35.44 H new ATOM 0 HA ARG A 8 8.105 -15.000 -1.890 1.00 12.44 H new ATOM 0 HB2 ARG A 8 6.883 -17.674 -2.657 1.00 23.25 H new ATOM 0 HB3 ARG A 8 6.388 -16.131 -3.325 1.00 23.25 H new ATOM 0 HG2 ARG A 8 8.613 -15.786 -4.298 1.00 64.43 H new ATOM 0 HG3 ARG A 8 9.209 -17.247 -3.536 1.00 64.43 H new ATOM 0 HD2 ARG A 8 8.667 -17.686 -5.881 1.00 34.33 H new ATOM 0 HD3 ARG A 8 7.603 -18.607 -4.835 1.00 34.33 H new ATOM 0 HE ARG A 8 6.433 -16.045 -5.569 1.00 12.53 H new ATOM 0 HH11 ARG A 8 7.031 -19.341 -6.684 1.00 31.54 H new ATOM 0 HH12 ARG A 8 5.655 -19.339 -7.792 1.00 31.54 H new ATOM 0 HH21 ARG A 8 4.663 -16.060 -6.988 1.00 54.35 H new ATOM 0 HH22 ARG A 8 4.322 -17.493 -7.964 1.00 54.35 H new ATOM 119 N VAL A 9 6.065 -14.540 -0.571 1.00 45.34 N ATOM 120 CA VAL A 9 4.945 -14.224 0.297 1.00 33.51 C ATOM 121 C VAL A 9 3.863 -13.504 -0.474 1.00 42.43 C ATOM 122 O VAL A 9 4.137 -12.870 -1.494 1.00 1.40 O ATOM 123 CB VAL A 9 5.368 -13.345 1.505 1.00 62.24 C ATOM 124 CG1 VAL A 9 6.373 -14.070 2.377 1.00 34.14 C ATOM 125 CG2 VAL A 9 5.930 -12.007 1.037 1.00 42.22 C ATOM 0 H VAL A 9 6.461 -13.738 -1.061 1.00 45.34 H new ATOM 0 HA VAL A 9 4.568 -15.173 0.677 1.00 33.51 H new ATOM 0 HB VAL A 9 4.478 -13.149 2.102 1.00 62.24 H new ATOM 0 HG11 VAL A 9 6.653 -13.433 3.216 1.00 34.14 H new ATOM 0 HG12 VAL A 9 5.930 -14.992 2.754 1.00 34.14 H new ATOM 0 HG13 VAL A 9 7.260 -14.307 1.790 1.00 34.14 H new ATOM 0 HG21 VAL A 9 6.219 -11.411 1.903 1.00 42.22 H new ATOM 0 HG22 VAL A 9 6.803 -12.179 0.408 1.00 42.22 H new ATOM 0 HG23 VAL A 9 5.171 -11.473 0.466 1.00 42.22 H new ATOM 135 N ARG A 10 2.639 -13.612 -0.003 1.00 73.42 N ATOM 136 CA ARG A 10 1.539 -12.914 -0.624 1.00 22.21 C ATOM 137 C ARG A 10 1.130 -11.726 0.221 1.00 3.43 C ATOM 138 O ARG A 10 0.764 -11.876 1.395 1.00 34.31 O ATOM 139 CB ARG A 10 0.339 -13.830 -0.845 1.00 31.44 C ATOM 140 CG ARG A 10 -0.844 -13.102 -1.450 1.00 21.41 C ATOM 141 CD ARG A 10 -2.053 -13.996 -1.616 1.00 22.52 C ATOM 142 NE ARG A 10 -3.174 -13.258 -2.199 1.00 20.13 N ATOM 143 CZ ARG A 10 -4.459 -13.496 -1.938 1.00 51.11 C ATOM 144 NH1 ARG A 10 -4.807 -14.478 -1.110 1.00 70.02 N ATOM 145 NH2 ARG A 10 -5.395 -12.748 -2.504 1.00 71.24 N ATOM 0 H ARG A 10 2.383 -14.176 0.807 1.00 73.42 H new ATOM 0 HA ARG A 10 1.880 -12.568 -1.600 1.00 22.21 H new ATOM 0 HB2 ARG A 10 0.629 -14.652 -1.500 1.00 31.44 H new ATOM 0 HB3 ARG A 10 0.042 -14.270 0.107 1.00 31.44 H new ATOM 0 HG2 ARG A 10 -1.107 -12.255 -0.817 1.00 21.41 H new ATOM 0 HG3 ARG A 10 -0.559 -12.698 -2.421 1.00 21.41 H new ATOM 0 HD2 ARG A 10 -1.799 -14.843 -2.254 1.00 22.52 H new ATOM 0 HD3 ARG A 10 -2.345 -14.403 -0.648 1.00 22.52 H new ATOM 0 HE ARG A 10 -2.956 -12.506 -2.853 1.00 20.13 H new ATOM 0 HH11 ARG A 10 -4.088 -15.054 -0.671 1.00 70.02 H new ATOM 0 HH12 ARG A 10 -5.792 -14.655 -0.914 1.00 70.02 H new ATOM 0 HH21 ARG A 10 -5.131 -11.993 -3.137 1.00 71.24 H new ATOM 0 HH22 ARG A 10 -6.380 -12.927 -2.307 1.00 71.24 H new ATOM 159 N CYS A 11 1.207 -10.555 -0.363 1.00 15.20 N ATOM 160 CA CYS A 11 0.842 -9.339 0.320 1.00 62.10 C ATOM 161 C CYS A 11 0.177 -8.377 -0.648 1.00 53.32 C ATOM 162 O CYS A 11 0.538 -8.318 -1.823 1.00 23.21 O ATOM 163 CB CYS A 11 2.079 -8.685 0.949 1.00 13.14 C ATOM 164 SG CYS A 11 2.961 -9.745 2.121 1.00 61.12 S ATOM 0 H CYS A 11 1.524 -10.419 -1.323 1.00 15.20 H new ATOM 0 HA CYS A 11 0.138 -9.584 1.115 1.00 62.10 H new ATOM 0 HB2 CYS A 11 2.765 -8.391 0.154 1.00 13.14 H new ATOM 0 HB3 CYS A 11 1.774 -7.772 1.460 1.00 13.14 H new ATOM 0 HG CYS A 11 3.534 -9.008 3.026 1.00 61.12 H new ATOM 170 N SER A 12 -0.794 -7.646 -0.161 1.00 1.23 N ATOM 171 CA SER A 12 -1.490 -6.671 -0.967 1.00 22.40 C ATOM 172 C SER A 12 -0.834 -5.304 -0.745 1.00 40.14 C ATOM 173 O SER A 12 -0.197 -5.090 0.292 1.00 3.24 O ATOM 174 CB SER A 12 -2.961 -6.629 -0.554 1.00 40.34 C ATOM 175 OG SER A 12 -3.459 -7.939 -0.301 1.00 75.21 O ATOM 0 H SER A 12 -1.125 -7.708 0.802 1.00 1.23 H new ATOM 0 HA SER A 12 -1.433 -6.936 -2.023 1.00 22.40 H new ATOM 0 HB2 SER A 12 -3.074 -6.015 0.339 1.00 40.34 H new ATOM 0 HB3 SER A 12 -3.550 -6.158 -1.341 1.00 40.34 H new ATOM 0 HG SER A 12 -3.558 -8.421 -1.149 1.00 75.21 H new ATOM 181 N HIS A 13 -0.976 -4.382 -1.693 1.00 3.14 N ATOM 182 CA HIS A 13 -0.310 -3.089 -1.559 1.00 0.54 C ATOM 183 C HIS A 13 -1.110 -1.921 -2.150 1.00 4.23 C ATOM 184 O HIS A 13 -1.601 -1.981 -3.278 1.00 54.11 O ATOM 185 CB HIS A 13 1.123 -3.133 -2.141 1.00 43.02 C ATOM 186 CG HIS A 13 1.227 -3.417 -3.625 1.00 50.41 C ATOM 187 ND1 HIS A 13 2.366 -3.158 -4.353 1.00 64.32 N ATOM 188 CD2 HIS A 13 0.342 -3.945 -4.507 1.00 20.24 C ATOM 189 CE1 HIS A 13 2.180 -3.510 -5.607 1.00 73.14 C ATOM 190 NE2 HIS A 13 0.962 -3.990 -5.728 1.00 63.32 N ATOM 0 H HIS A 13 -1.531 -4.499 -2.541 1.00 3.14 H new ATOM 0 HA HIS A 13 -0.246 -2.898 -0.488 1.00 0.54 H new ATOM 0 HB2 HIS A 13 1.606 -2.177 -1.939 1.00 43.02 H new ATOM 0 HB3 HIS A 13 1.689 -3.895 -1.605 1.00 43.02 H new ATOM 0 HD2 HIS A 13 -0.664 -4.270 -4.288 1.00 20.24 H new ATOM 0 HE1 HIS A 13 2.905 -3.420 -6.402 1.00 73.14 H new ATOM 0 HE2 HIS A 13 0.546 -4.339 -6.591 1.00 63.32 H new ATOM 199 N LEU A 14 -1.219 -0.863 -1.366 1.00 53.23 N ATOM 200 CA LEU A 14 -1.902 0.362 -1.769 1.00 71.12 C ATOM 201 C LEU A 14 -0.865 1.481 -1.936 1.00 24.54 C ATOM 202 O LEU A 14 0.130 1.508 -1.220 1.00 71.13 O ATOM 203 CB LEU A 14 -2.964 0.731 -0.702 1.00 54.15 C ATOM 204 CG LEU A 14 -3.829 1.976 -0.961 1.00 51.20 C ATOM 205 CD1 LEU A 14 -5.177 1.830 -0.274 1.00 44.32 C ATOM 206 CD2 LEU A 14 -3.135 3.230 -0.453 1.00 24.43 C ATOM 0 H LEU A 14 -0.834 -0.826 -0.422 1.00 53.23 H new ATOM 0 HA LEU A 14 -2.412 0.220 -2.722 1.00 71.12 H new ATOM 0 HB2 LEU A 14 -3.631 -0.123 -0.582 1.00 54.15 H new ATOM 0 HB3 LEU A 14 -2.451 0.870 0.249 1.00 54.15 H new ATOM 0 HG LEU A 14 -3.978 2.067 -2.037 1.00 51.20 H new ATOM 0 HD11 LEU A 14 -5.780 2.717 -0.465 1.00 44.32 H new ATOM 0 HD12 LEU A 14 -5.691 0.951 -0.664 1.00 44.32 H new ATOM 0 HD13 LEU A 14 -5.028 1.716 0.800 1.00 44.32 H new ATOM 0 HD21 LEU A 14 -3.765 4.098 -0.647 1.00 24.43 H new ATOM 0 HD22 LEU A 14 -2.960 3.140 0.619 1.00 24.43 H new ATOM 0 HD23 LEU A 14 -2.181 3.352 -0.967 1.00 24.43 H new ATOM 218 N LEU A 15 -1.085 2.378 -2.891 1.00 22.15 N ATOM 219 CA LEU A 15 -0.145 3.473 -3.145 1.00 33.51 C ATOM 220 C LEU A 15 -0.856 4.813 -3.290 1.00 11.24 C ATOM 221 O LEU A 15 -1.720 4.981 -4.155 1.00 52.31 O ATOM 222 CB LEU A 15 0.678 3.192 -4.412 1.00 55.44 C ATOM 223 CG LEU A 15 1.523 4.364 -4.944 1.00 73.31 C ATOM 224 CD1 LEU A 15 2.562 4.804 -3.922 1.00 42.22 C ATOM 225 CD2 LEU A 15 2.190 3.987 -6.259 1.00 13.33 C ATOM 0 H LEU A 15 -1.902 2.372 -3.502 1.00 22.15 H new ATOM 0 HA LEU A 15 0.518 3.532 -2.281 1.00 33.51 H new ATOM 0 HB2 LEU A 15 1.344 2.353 -4.210 1.00 55.44 H new ATOM 0 HB3 LEU A 15 -0.004 2.875 -5.201 1.00 55.44 H new ATOM 0 HG LEU A 15 0.854 5.206 -5.123 1.00 73.31 H new ATOM 0 HD11 LEU A 15 3.143 5.633 -4.327 1.00 42.22 H new ATOM 0 HD12 LEU A 15 2.061 5.124 -3.008 1.00 42.22 H new ATOM 0 HD13 LEU A 15 3.227 3.970 -3.698 1.00 42.22 H new ATOM 0 HD21 LEU A 15 2.783 4.827 -6.620 1.00 13.33 H new ATOM 0 HD22 LEU A 15 2.839 3.125 -6.104 1.00 13.33 H new ATOM 0 HD23 LEU A 15 1.426 3.738 -6.996 1.00 13.33 H new ATOM 237 N VAL A 16 -0.483 5.760 -2.443 1.00 32.10 N ATOM 238 CA VAL A 16 -1.006 7.113 -2.518 1.00 62.34 C ATOM 239 C VAL A 16 0.109 8.075 -2.907 1.00 5.45 C ATOM 240 O VAL A 16 1.136 8.167 -2.223 1.00 41.52 O ATOM 241 CB VAL A 16 -1.638 7.575 -1.181 1.00 33.02 C ATOM 242 CG1 VAL A 16 -2.054 9.039 -1.254 1.00 23.44 C ATOM 243 CG2 VAL A 16 -2.833 6.713 -0.835 1.00 72.43 C ATOM 0 H VAL A 16 0.187 5.612 -1.688 1.00 32.10 H new ATOM 0 HA VAL A 16 -1.791 7.115 -3.274 1.00 62.34 H new ATOM 0 HB VAL A 16 -0.887 7.468 -0.398 1.00 33.02 H new ATOM 0 HG11 VAL A 16 -2.495 9.340 -0.304 1.00 23.44 H new ATOM 0 HG12 VAL A 16 -1.179 9.656 -1.460 1.00 23.44 H new ATOM 0 HG13 VAL A 16 -2.786 9.170 -2.051 1.00 23.44 H new ATOM 0 HG21 VAL A 16 -3.265 7.051 0.107 1.00 72.43 H new ATOM 0 HG22 VAL A 16 -3.579 6.792 -1.625 1.00 72.43 H new ATOM 0 HG23 VAL A 16 -2.516 5.675 -0.737 1.00 72.43 H new ATOM 253 N LYS A 17 -0.085 8.767 -4.012 1.00 21.23 N ATOM 254 CA LYS A 17 0.894 9.721 -4.502 1.00 65.52 C ATOM 255 C LYS A 17 0.627 11.116 -3.969 1.00 51.31 C ATOM 256 O LYS A 17 -0.408 11.377 -3.347 1.00 4.42 O ATOM 257 CB LYS A 17 0.895 9.750 -6.025 1.00 41.34 C ATOM 258 CG LYS A 17 1.586 8.569 -6.666 1.00 23.43 C ATOM 259 CD LYS A 17 1.391 8.579 -8.164 1.00 74.02 C ATOM 260 CE LYS A 17 2.287 7.570 -8.845 1.00 20.41 C ATOM 261 NZ LYS A 17 1.857 7.314 -10.236 1.00 45.41 N ATOM 0 H LYS A 17 -0.919 8.686 -4.593 1.00 21.23 H new ATOM 0 HA LYS A 17 1.871 9.397 -4.144 1.00 65.52 H new ATOM 0 HB2 LYS A 17 -0.136 9.789 -6.377 1.00 41.34 H new ATOM 0 HB3 LYS A 17 1.381 10.667 -6.360 1.00 41.34 H new ATOM 0 HG2 LYS A 17 2.651 8.595 -6.434 1.00 23.43 H new ATOM 0 HG3 LYS A 17 1.192 7.642 -6.250 1.00 23.43 H new ATOM 0 HD2 LYS A 17 0.349 8.359 -8.398 1.00 74.02 H new ATOM 0 HD3 LYS A 17 1.601 9.575 -8.553 1.00 74.02 H new ATOM 0 HE2 LYS A 17 3.314 7.934 -8.842 1.00 20.41 H new ATOM 0 HE3 LYS A 17 2.278 6.636 -8.283 1.00 20.41 H new ATOM 0 HZ1 LYS A 17 2.657 6.936 -10.783 1.00 45.41 H new ATOM 0 HZ2 LYS A 17 1.079 6.624 -10.237 1.00 45.41 H new ATOM 0 HZ3 LYS A 17 1.532 8.202 -10.668 1.00 45.41 H new ATOM 275 N HIS A 18 1.559 12.009 -4.230 1.00 55.33 N ATOM 276 CA HIS A 18 1.452 13.389 -3.812 1.00 21.04 C ATOM 277 C HIS A 18 2.178 14.286 -4.797 1.00 10.03 C ATOM 278 O HIS A 18 3.022 13.816 -5.556 1.00 71.12 O ATOM 279 CB HIS A 18 1.972 13.596 -2.370 1.00 73.40 C ATOM 280 CG HIS A 18 3.351 13.066 -2.096 1.00 51.11 C ATOM 281 ND1 HIS A 18 4.405 13.865 -1.710 1.00 23.34 N ATOM 282 CD2 HIS A 18 3.829 11.801 -2.101 1.00 40.12 C ATOM 283 CE1 HIS A 18 5.464 13.110 -1.490 1.00 11.23 C ATOM 284 NE2 HIS A 18 5.140 11.858 -1.721 1.00 1.21 N ATOM 0 H HIS A 18 2.416 11.796 -4.741 1.00 55.33 H new ATOM 0 HA HIS A 18 0.397 13.661 -3.805 1.00 21.04 H new ATOM 0 HB2 HIS A 18 1.962 14.663 -2.149 1.00 73.40 H new ATOM 0 HB3 HIS A 18 1.275 13.120 -1.680 1.00 73.40 H new ATOM 0 HD1 HIS A 18 4.372 14.880 -1.610 1.00 23.34 H new ATOM 0 HD2 HIS A 18 3.276 10.910 -2.358 1.00 40.12 H new ATOM 0 HE1 HIS A 18 6.435 13.462 -1.173 1.00 11.23 H new ATOM 293 N SER A 19 1.830 15.564 -4.787 1.00 61.40 N ATOM 294 CA SER A 19 2.389 16.544 -5.713 1.00 35.15 C ATOM 295 C SER A 19 3.913 16.561 -5.688 1.00 31.34 C ATOM 296 O SER A 19 4.561 16.533 -6.732 1.00 11.22 O ATOM 297 CB SER A 19 1.858 17.923 -5.363 1.00 13.45 C ATOM 298 OG SER A 19 0.463 17.878 -5.162 1.00 2.14 O ATOM 0 H SER A 19 1.150 15.954 -4.135 1.00 61.40 H new ATOM 0 HA SER A 19 2.084 16.261 -6.720 1.00 35.15 H new ATOM 0 HB2 SER A 19 2.350 18.291 -4.462 1.00 13.45 H new ATOM 0 HB3 SER A 19 2.094 18.624 -6.164 1.00 13.45 H new ATOM 0 HG SER A 19 0.005 18.096 -6.000 1.00 2.14 H new ATOM 304 N GLN A 20 4.479 16.594 -4.500 1.00 63.32 N ATOM 305 CA GLN A 20 5.919 16.675 -4.353 1.00 74.53 C ATOM 306 C GLN A 20 6.584 15.310 -4.533 1.00 4.30 C ATOM 307 O GLN A 20 6.963 14.656 -3.565 1.00 40.44 O ATOM 308 CB GLN A 20 6.276 17.284 -3.003 1.00 5.20 C ATOM 309 CG GLN A 20 5.572 18.608 -2.734 1.00 63.31 C ATOM 310 CD GLN A 20 5.842 19.648 -3.807 1.00 70.14 C ATOM 311 OE1 GLN A 20 5.114 19.739 -4.801 1.00 61.34 O ATOM 312 NE2 GLN A 20 6.879 20.436 -3.616 1.00 1.51 N ATOM 0 H GLN A 20 3.964 16.566 -3.620 1.00 63.32 H new ATOM 0 HA GLN A 20 6.302 17.323 -5.141 1.00 74.53 H new ATOM 0 HB2 GLN A 20 6.019 16.577 -2.214 1.00 5.20 H new ATOM 0 HB3 GLN A 20 7.354 17.437 -2.955 1.00 5.20 H new ATOM 0 HG2 GLN A 20 4.498 18.435 -2.664 1.00 63.31 H new ATOM 0 HG3 GLN A 20 5.896 18.997 -1.768 1.00 63.31 H new ATOM 0 HE21 GLN A 20 7.455 20.328 -2.781 1.00 1.51 H new ATOM 0 HE22 GLN A 20 7.107 21.155 -4.303 1.00 1.51 H new ATOM 321 N SER A 21 6.672 14.881 -5.779 1.00 72.30 N ATOM 322 CA SER A 21 7.304 13.624 -6.157 1.00 14.12 C ATOM 323 C SER A 21 7.657 13.675 -7.639 1.00 44.12 C ATOM 324 O SER A 21 7.223 14.588 -8.347 1.00 10.33 O ATOM 325 CB SER A 21 6.359 12.439 -5.891 1.00 73.13 C ATOM 326 OG SER A 21 6.037 12.336 -4.518 1.00 73.11 O ATOM 0 H SER A 21 6.301 15.403 -6.572 1.00 72.30 H new ATOM 0 HA SER A 21 8.206 13.485 -5.561 1.00 14.12 H new ATOM 0 HB2 SER A 21 5.445 12.562 -6.473 1.00 73.13 H new ATOM 0 HB3 SER A 21 6.828 11.514 -6.227 1.00 73.13 H new ATOM 0 HG SER A 21 6.614 12.936 -4.001 1.00 73.11 H new ATOM 332 N ARG A 22 8.433 12.702 -8.114 1.00 63.23 N ATOM 333 CA ARG A 22 8.796 12.647 -9.531 1.00 41.13 C ATOM 334 C ARG A 22 7.605 12.229 -10.391 1.00 55.22 C ATOM 335 O ARG A 22 7.676 12.236 -11.620 1.00 2.11 O ATOM 336 CB ARG A 22 9.997 11.712 -9.775 1.00 43.21 C ATOM 337 CG ARG A 22 9.808 10.278 -9.292 1.00 54.23 C ATOM 338 CD ARG A 22 11.011 9.418 -9.662 1.00 62.22 C ATOM 339 NE ARG A 22 11.056 8.163 -8.906 1.00 42.33 N ATOM 340 CZ ARG A 22 11.842 7.123 -9.206 1.00 44.54 C ATOM 341 NH1 ARG A 22 12.592 7.141 -10.301 1.00 65.34 N ATOM 342 NH2 ARG A 22 11.867 6.060 -8.409 1.00 20.10 N ATOM 0 H ARG A 22 8.820 11.948 -7.546 1.00 63.23 H new ATOM 0 HA ARG A 22 9.093 13.654 -9.826 1.00 41.13 H new ATOM 0 HB2 ARG A 22 10.212 11.694 -10.843 1.00 43.21 H new ATOM 0 HB3 ARG A 22 10.872 12.133 -9.280 1.00 43.21 H new ATOM 0 HG2 ARG A 22 9.668 10.269 -8.211 1.00 54.23 H new ATOM 0 HG3 ARG A 22 8.905 9.857 -9.734 1.00 54.23 H new ATOM 0 HD2 ARG A 22 10.980 9.195 -10.729 1.00 62.22 H new ATOM 0 HD3 ARG A 22 11.926 9.981 -9.480 1.00 62.22 H new ATOM 0 HE ARG A 22 10.445 8.077 -8.094 1.00 42.33 H new ATOM 0 HH11 ARG A 22 12.571 7.951 -10.920 1.00 65.34 H new ATOM 0 HH12 ARG A 22 13.189 6.344 -10.523 1.00 65.34 H new ATOM 0 HH21 ARG A 22 11.287 6.038 -7.570 1.00 20.10 H new ATOM 0 HH22 ARG A 22 12.466 5.266 -8.636 1.00 20.10 H new ATOM 356 N ARG A 23 6.515 11.865 -9.739 1.00 21.11 N ATOM 357 CA ARG A 23 5.303 11.489 -10.432 1.00 21.10 C ATOM 358 C ARG A 23 4.081 12.009 -9.669 1.00 12.50 C ATOM 359 O ARG A 23 3.473 11.285 -8.884 1.00 13.15 O ATOM 360 CB ARG A 23 5.226 9.965 -10.607 1.00 13.30 C ATOM 361 CG ARG A 23 4.134 9.503 -11.561 1.00 73.34 C ATOM 362 CD ARG A 23 4.389 10.002 -12.975 1.00 1.11 C ATOM 363 NE ARG A 23 3.300 9.659 -13.889 1.00 52.32 N ATOM 364 CZ ARG A 23 2.762 10.517 -14.761 1.00 13.13 C ATOM 365 NH1 ARG A 23 3.218 11.763 -14.836 1.00 74.44 N ATOM 366 NH2 ARG A 23 1.774 10.128 -15.559 1.00 4.31 N ATOM 0 H ARG A 23 6.448 11.823 -8.722 1.00 21.11 H new ATOM 0 HA ARG A 23 5.314 11.940 -11.424 1.00 21.10 H new ATOM 0 HB2 ARG A 23 6.188 9.603 -10.970 1.00 13.30 H new ATOM 0 HB3 ARG A 23 5.060 9.506 -9.632 1.00 13.30 H new ATOM 0 HG2 ARG A 23 4.084 8.414 -11.561 1.00 73.34 H new ATOM 0 HG3 ARG A 23 3.167 9.866 -11.214 1.00 73.34 H new ATOM 0 HD2 ARG A 23 4.519 11.084 -12.958 1.00 1.11 H new ATOM 0 HD3 ARG A 23 5.320 9.575 -13.346 1.00 1.11 H new ATOM 0 HE ARG A 23 2.929 8.709 -13.859 1.00 52.32 H new ATOM 0 HH11 ARG A 23 3.979 12.065 -14.228 1.00 74.44 H new ATOM 0 HH12 ARG A 23 2.807 12.417 -15.502 1.00 74.44 H new ATOM 0 HH21 ARG A 23 1.423 9.172 -15.508 1.00 4.31 H new ATOM 0 HH22 ARG A 23 1.366 10.786 -16.223 1.00 4.31 H new ATOM 380 N PRO A 24 3.727 13.287 -9.881 1.00 35.41 N ATOM 381 CA PRO A 24 2.602 13.928 -9.205 1.00 23.31 C ATOM 382 C PRO A 24 1.293 13.743 -9.969 1.00 12.55 C ATOM 383 O PRO A 24 0.429 14.629 -9.977 1.00 15.11 O ATOM 384 CB PRO A 24 3.015 15.394 -9.215 1.00 74.03 C ATOM 385 CG PRO A 24 3.779 15.563 -10.489 1.00 30.03 C ATOM 386 CD PRO A 24 4.405 14.221 -10.805 1.00 4.54 C ATOM 0 HA PRO A 24 2.414 13.516 -8.213 1.00 23.31 H new ATOM 0 HB2 PRO A 24 2.146 16.051 -9.184 1.00 74.03 H new ATOM 0 HB3 PRO A 24 3.630 15.638 -8.349 1.00 74.03 H new ATOM 0 HG2 PRO A 24 3.119 15.881 -11.296 1.00 30.03 H new ATOM 0 HG3 PRO A 24 4.545 16.331 -10.382 1.00 30.03 H new ATOM 0 HD2 PRO A 24 4.245 13.940 -11.846 1.00 4.54 H new ATOM 0 HD3 PRO A 24 5.482 14.234 -10.641 1.00 4.54 H new ATOM 394 N SER A 25 1.144 12.590 -10.587 1.00 43.23 N ATOM 395 CA SER A 25 -0.031 12.292 -11.370 1.00 1.42 C ATOM 396 C SER A 25 -0.574 10.909 -11.007 1.00 5.42 C ATOM 397 O SER A 25 0.183 9.930 -10.960 1.00 31.32 O ATOM 398 CB SER A 25 0.328 12.340 -12.855 1.00 53.15 C ATOM 399 OG SER A 25 1.111 13.489 -13.153 1.00 2.45 O ATOM 0 H SER A 25 1.832 11.838 -10.559 1.00 43.23 H new ATOM 0 HA SER A 25 -0.802 13.032 -11.157 1.00 1.42 H new ATOM 0 HB2 SER A 25 0.878 11.440 -13.129 1.00 53.15 H new ATOM 0 HB3 SER A 25 -0.583 12.351 -13.453 1.00 53.15 H new ATOM 0 HG SER A 25 1.330 13.497 -14.108 1.00 2.45 H new ATOM 405 N SER A 26 -1.867 10.838 -10.721 1.00 43.52 N ATOM 406 CA SER A 26 -2.510 9.575 -10.412 1.00 61.12 C ATOM 407 C SER A 26 -3.648 9.304 -11.394 1.00 4.55 C ATOM 408 O SER A 26 -4.150 10.225 -12.042 1.00 1.13 O ATOM 409 CB SER A 26 -3.012 9.547 -8.954 1.00 22.25 C ATOM 410 OG SER A 26 -3.813 10.685 -8.641 1.00 74.55 O ATOM 0 H SER A 26 -2.490 11.645 -10.697 1.00 43.52 H new ATOM 0 HA SER A 26 -1.772 8.780 -10.517 1.00 61.12 H new ATOM 0 HB2 SER A 26 -3.592 8.639 -8.788 1.00 22.25 H new ATOM 0 HB3 SER A 26 -2.158 9.508 -8.278 1.00 22.25 H new ATOM 0 HG SER A 26 -4.749 10.410 -8.545 1.00 74.55 H new ATOM 415 N TRP A 27 -4.050 8.050 -11.511 1.00 64.04 N ATOM 416 CA TRP A 27 -5.102 7.671 -12.458 1.00 73.40 C ATOM 417 C TRP A 27 -6.497 8.103 -11.981 1.00 62.55 C ATOM 418 O TRP A 27 -7.457 8.087 -12.756 1.00 61.21 O ATOM 419 CB TRP A 27 -5.079 6.156 -12.730 1.00 51.43 C ATOM 420 CG TRP A 27 -5.533 5.315 -11.571 1.00 71.54 C ATOM 421 CD1 TRP A 27 -4.880 5.124 -10.396 1.00 71.41 C ATOM 422 CD2 TRP A 27 -6.739 4.541 -11.490 1.00 54.23 C ATOM 423 NE1 TRP A 27 -5.606 4.288 -9.583 1.00 4.22 N ATOM 424 CE2 TRP A 27 -6.749 3.917 -10.230 1.00 41.25 C ATOM 425 CE3 TRP A 27 -7.812 4.319 -12.357 1.00 4.24 C ATOM 426 CZ2 TRP A 27 -7.786 3.086 -9.816 1.00 55.03 C ATOM 427 CZ3 TRP A 27 -8.840 3.494 -11.945 1.00 23.44 C ATOM 428 CH2 TRP A 27 -8.821 2.888 -10.685 1.00 42.43 C ATOM 0 H TRP A 27 -3.670 7.275 -10.968 1.00 64.04 H new ATOM 0 HA TRP A 27 -4.893 8.200 -13.388 1.00 73.40 H new ATOM 0 HB2 TRP A 27 -5.714 5.943 -13.590 1.00 51.43 H new ATOM 0 HB3 TRP A 27 -4.065 5.862 -13.002 1.00 51.43 H new ATOM 0 HD1 TRP A 27 -3.928 5.565 -10.138 1.00 71.41 H new ATOM 0 HE1 TRP A 27 -5.334 3.992 -8.646 1.00 4.22 H new ATOM 0 HE3 TRP A 27 -7.837 4.784 -13.331 1.00 4.24 H new ATOM 0 HZ2 TRP A 27 -7.773 2.615 -8.844 1.00 55.03 H new ATOM 0 HZ3 TRP A 27 -9.673 3.314 -12.608 1.00 23.44 H new ATOM 0 HH2 TRP A 27 -9.642 2.250 -10.393 1.00 42.43 H new ATOM 439 N ARG A 28 -6.611 8.491 -10.716 1.00 53.51 N ATOM 440 CA ARG A 28 -7.907 8.892 -10.170 1.00 32.41 C ATOM 441 C ARG A 28 -8.029 10.407 -10.022 1.00 13.22 C ATOM 442 O ARG A 28 -9.081 10.912 -9.636 1.00 64.31 O ATOM 443 CB ARG A 28 -8.180 8.214 -8.823 1.00 74.42 C ATOM 444 CG ARG A 28 -7.158 8.523 -7.741 1.00 45.40 C ATOM 445 CD ARG A 28 -7.694 8.157 -6.365 1.00 12.22 C ATOM 446 NE ARG A 28 -8.784 9.052 -5.950 1.00 53.44 N ATOM 447 CZ ARG A 28 -9.995 8.650 -5.535 1.00 13.01 C ATOM 448 NH1 ARG A 28 -10.306 7.359 -5.512 1.00 54.11 N ATOM 449 NH2 ARG A 28 -10.897 9.549 -5.158 1.00 41.23 N ATOM 0 H ARG A 28 -5.835 8.537 -10.055 1.00 53.51 H new ATOM 0 HA ARG A 28 -8.657 8.563 -10.889 1.00 32.41 H new ATOM 0 HB2 ARG A 28 -9.166 8.518 -8.471 1.00 74.42 H new ATOM 0 HB3 ARG A 28 -8.215 7.135 -8.974 1.00 74.42 H new ATOM 0 HG2 ARG A 28 -6.239 7.971 -7.936 1.00 45.40 H new ATOM 0 HG3 ARG A 28 -6.905 9.583 -7.767 1.00 45.40 H new ATOM 0 HD2 ARG A 28 -8.053 7.128 -6.376 1.00 12.22 H new ATOM 0 HD3 ARG A 28 -6.886 8.205 -5.635 1.00 12.22 H new ATOM 0 HE ARG A 28 -8.606 10.056 -5.980 1.00 53.44 H new ATOM 0 HH11 ARG A 28 -9.622 6.664 -5.811 1.00 54.11 H new ATOM 0 HH12 ARG A 28 -11.229 7.062 -5.195 1.00 54.11 H new ATOM 0 HH21 ARG A 28 -10.669 10.543 -5.184 1.00 41.23 H new ATOM 0 HH22 ARG A 28 -11.818 9.246 -4.842 1.00 41.23 H new ATOM 463 N GLN A 29 -6.965 11.126 -10.321 1.00 24.41 N ATOM 464 CA GLN A 29 -6.989 12.573 -10.211 1.00 13.03 C ATOM 465 C GLN A 29 -6.189 13.200 -11.337 1.00 51.12 C ATOM 466 O GLN A 29 -5.085 12.759 -11.638 1.00 32.25 O ATOM 467 CB GLN A 29 -6.446 13.013 -8.848 1.00 61.42 C ATOM 468 CG GLN A 29 -6.641 14.490 -8.552 1.00 0.32 C ATOM 469 CD GLN A 29 -6.323 14.843 -7.113 1.00 74.21 C ATOM 470 OE1 GLN A 29 -6.465 14.016 -6.211 1.00 72.43 O ATOM 471 NE2 GLN A 29 -5.894 16.065 -6.885 1.00 21.21 N ATOM 0 H GLN A 29 -6.078 10.736 -10.640 1.00 24.41 H new ATOM 0 HA GLN A 29 -8.021 12.914 -10.293 1.00 13.03 H new ATOM 0 HB2 GLN A 29 -6.935 12.429 -8.068 1.00 61.42 H new ATOM 0 HB3 GLN A 29 -5.382 12.781 -8.800 1.00 61.42 H new ATOM 0 HG2 GLN A 29 -6.005 15.077 -9.215 1.00 0.32 H new ATOM 0 HG3 GLN A 29 -7.672 14.768 -8.771 1.00 0.32 H new ATOM 0 HE21 GLN A 29 -5.789 16.721 -7.659 1.00 21.21 H new ATOM 0 HE22 GLN A 29 -5.666 16.356 -5.935 1.00 21.21 H new ATOM 480 N GLU A 30 -6.762 14.210 -11.972 1.00 43.44 N ATOM 481 CA GLU A 30 -6.114 14.895 -13.085 1.00 24.03 C ATOM 482 C GLU A 30 -4.780 15.492 -12.629 1.00 43.22 C ATOM 483 O GLU A 30 -3.713 15.087 -13.096 1.00 35.32 O ATOM 484 CB GLU A 30 -7.052 15.981 -13.627 1.00 62.13 C ATOM 485 CG GLU A 30 -6.761 16.439 -15.052 1.00 43.11 C ATOM 486 CD GLU A 30 -5.519 17.284 -15.168 1.00 3.41 C ATOM 487 OE1 GLU A 30 -5.514 18.409 -14.642 1.00 12.14 O ATOM 488 OE2 GLU A 30 -4.544 16.830 -15.797 1.00 42.34 O ATOM 0 H GLU A 30 -7.683 14.578 -11.734 1.00 43.44 H new ATOM 0 HA GLU A 30 -5.906 14.185 -13.885 1.00 24.03 H new ATOM 0 HB2 GLU A 30 -8.076 15.609 -13.584 1.00 62.13 H new ATOM 0 HB3 GLU A 30 -7.000 16.846 -12.966 1.00 62.13 H new ATOM 0 HG2 GLU A 30 -6.657 15.563 -15.693 1.00 43.11 H new ATOM 0 HG3 GLU A 30 -7.614 17.007 -15.424 1.00 43.11 H new ATOM 495 N LYS A 31 -4.848 16.427 -11.704 1.00 74.11 N ATOM 496 CA LYS A 31 -3.659 17.046 -11.153 1.00 13.31 C ATOM 497 C LYS A 31 -3.660 16.951 -9.639 1.00 52.12 C ATOM 498 O LYS A 31 -4.531 17.512 -8.961 1.00 31.13 O ATOM 499 CB LYS A 31 -3.515 18.503 -11.617 1.00 11.03 C ATOM 500 CG LYS A 31 -4.816 19.284 -11.652 1.00 32.14 C ATOM 501 CD LYS A 31 -4.581 20.732 -12.041 1.00 20.44 C ATOM 502 CE LYS A 31 -5.860 21.384 -12.537 1.00 35.43 C ATOM 503 NZ LYS A 31 -6.265 20.855 -13.865 1.00 13.42 N ATOM 0 H LYS A 31 -5.723 16.778 -11.315 1.00 74.11 H new ATOM 0 HA LYS A 31 -2.794 16.500 -11.529 1.00 13.31 H new ATOM 0 HB2 LYS A 31 -2.817 19.015 -10.955 1.00 11.03 H new ATOM 0 HB3 LYS A 31 -3.074 18.512 -12.614 1.00 11.03 H new ATOM 0 HG2 LYS A 31 -5.501 18.821 -12.362 1.00 32.14 H new ATOM 0 HG3 LYS A 31 -5.294 19.241 -10.674 1.00 32.14 H new ATOM 0 HD2 LYS A 31 -4.198 21.284 -11.183 1.00 20.44 H new ATOM 0 HD3 LYS A 31 -3.819 20.783 -12.819 1.00 20.44 H new ATOM 0 HE2 LYS A 31 -6.660 21.211 -11.817 1.00 35.43 H new ATOM 0 HE3 LYS A 31 -5.717 22.463 -12.603 1.00 35.43 H new ATOM 0 HZ1 LYS A 31 -6.164 21.602 -14.582 1.00 13.42 H new ATOM 0 HZ2 LYS A 31 -5.659 20.049 -14.117 1.00 13.42 H new ATOM 0 HZ3 LYS A 31 -7.257 20.544 -13.827 1.00 13.42 H new ATOM 517 N ILE A 32 -2.692 16.223 -9.118 1.00 35.01 N ATOM 518 CA ILE A 32 -2.561 16.014 -7.692 1.00 21.10 C ATOM 519 C ILE A 32 -2.136 17.299 -6.993 1.00 63.13 C ATOM 520 O ILE A 32 -1.108 17.889 -7.333 1.00 74.31 O ATOM 521 CB ILE A 32 -1.531 14.900 -7.388 1.00 13.12 C ATOM 522 CG1 ILE A 32 -2.007 13.561 -7.953 1.00 60.40 C ATOM 523 CG2 ILE A 32 -1.278 14.789 -5.897 1.00 71.12 C ATOM 524 CD1 ILE A 32 -1.059 12.414 -7.672 1.00 51.14 C ATOM 0 H ILE A 32 -1.973 15.759 -9.674 1.00 35.01 H new ATOM 0 HA ILE A 32 -3.537 15.708 -7.315 1.00 21.10 H new ATOM 0 HB ILE A 32 -0.591 15.165 -7.872 1.00 13.12 H new ATOM 0 HG12 ILE A 32 -2.984 13.325 -7.532 1.00 60.40 H new ATOM 0 HG13 ILE A 32 -2.139 13.657 -9.031 1.00 60.40 H new ATOM 0 HG21 ILE A 32 -0.551 13.999 -5.709 1.00 71.12 H new ATOM 0 HG22 ILE A 32 -0.890 15.736 -5.522 1.00 71.12 H new ATOM 0 HG23 ILE A 32 -2.211 14.552 -5.386 1.00 71.12 H new ATOM 0 HD11 ILE A 32 -1.461 11.496 -8.102 1.00 51.14 H new ATOM 0 HD12 ILE A 32 -0.087 12.628 -8.117 1.00 51.14 H new ATOM 0 HD13 ILE A 32 -0.946 12.291 -6.595 1.00 51.14 H new ATOM 536 N THR A 33 -2.941 17.735 -6.038 1.00 2.23 N ATOM 537 CA THR A 33 -2.642 18.926 -5.266 1.00 41.52 C ATOM 538 C THR A 33 -2.256 18.555 -3.833 1.00 64.22 C ATOM 539 O THR A 33 -1.688 19.365 -3.096 1.00 4.22 O ATOM 540 CB THR A 33 -3.850 19.878 -5.242 1.00 31.44 C ATOM 541 OG1 THR A 33 -5.014 19.171 -4.792 1.00 32.45 O ATOM 542 CG2 THR A 33 -4.113 20.444 -6.625 1.00 44.20 C ATOM 0 H THR A 33 -3.814 17.276 -5.779 1.00 2.23 H new ATOM 0 HA THR A 33 -1.802 19.431 -5.743 1.00 41.52 H new ATOM 0 HB THR A 33 -3.628 20.699 -4.560 1.00 31.44 H new ATOM 0 HG1 THR A 33 -5.781 19.781 -4.776 1.00 32.45 H new ATOM 0 HG21 THR A 33 -4.971 21.115 -6.586 1.00 44.20 H new ATOM 0 HG22 THR A 33 -3.236 20.995 -6.965 1.00 44.20 H new ATOM 0 HG23 THR A 33 -4.320 19.629 -7.318 1.00 44.20 H new ATOM 550 N ARG A 34 -2.579 17.325 -3.451 1.00 3.13 N ATOM 551 CA ARG A 34 -2.271 16.807 -2.121 1.00 51.25 C ATOM 552 C ARG A 34 -0.766 16.622 -1.927 1.00 14.42 C ATOM 553 O ARG A 34 -0.111 15.898 -2.684 1.00 24.33 O ATOM 554 CB ARG A 34 -3.024 15.482 -1.870 1.00 25.22 C ATOM 555 CG ARG A 34 -3.061 14.561 -3.082 1.00 13.52 C ATOM 556 CD ARG A 34 -3.925 13.330 -2.855 1.00 23.33 C ATOM 557 NE ARG A 34 -4.564 12.889 -4.107 1.00 0.42 N ATOM 558 CZ ARG A 34 -4.035 12.024 -4.987 1.00 41.22 C ATOM 559 NH1 ARG A 34 -2.857 11.451 -4.749 1.00 43.14 N ATOM 560 NH2 ARG A 34 -4.695 11.737 -6.109 1.00 0.42 N ATOM 0 H ARG A 34 -3.062 16.658 -4.053 1.00 3.13 H new ATOM 0 HA ARG A 34 -2.608 17.542 -1.390 1.00 51.25 H new ATOM 0 HB2 ARG A 34 -2.551 14.957 -1.040 1.00 25.22 H new ATOM 0 HB3 ARG A 34 -4.046 15.707 -1.564 1.00 25.22 H new ATOM 0 HG2 ARG A 34 -3.440 15.113 -3.942 1.00 13.52 H new ATOM 0 HG3 ARG A 34 -2.046 14.248 -3.327 1.00 13.52 H new ATOM 0 HD2 ARG A 34 -3.314 12.523 -2.452 1.00 23.33 H new ATOM 0 HD3 ARG A 34 -4.691 13.552 -2.112 1.00 23.33 H new ATOM 0 HE ARG A 34 -5.484 13.272 -4.323 1.00 0.42 H new ATOM 0 HH11 ARG A 34 -2.348 11.668 -3.892 1.00 43.14 H new ATOM 0 HH12 ARG A 34 -2.463 10.795 -5.424 1.00 43.14 H new ATOM 0 HH21 ARG A 34 -5.598 12.174 -6.296 1.00 0.42 H new ATOM 0 HH22 ARG A 34 -4.297 11.081 -6.781 1.00 0.42 H new ATOM 574 N THR A 35 -0.228 17.289 -0.920 1.00 33.14 N ATOM 575 CA THR A 35 1.187 17.202 -0.604 1.00 70.50 C ATOM 576 C THR A 35 1.488 15.922 0.204 1.00 71.13 C ATOM 577 O THR A 35 0.604 15.085 0.413 1.00 2.33 O ATOM 578 CB THR A 35 1.668 18.460 0.179 1.00 13.23 C ATOM 579 OG1 THR A 35 3.091 18.420 0.363 1.00 62.01 O ATOM 580 CG2 THR A 35 0.984 18.553 1.538 1.00 70.34 C ATOM 0 H THR A 35 -0.757 17.903 -0.301 1.00 33.14 H new ATOM 0 HA THR A 35 1.735 17.158 -1.545 1.00 70.50 H new ATOM 0 HB THR A 35 1.402 19.339 -0.408 1.00 13.23 H new ATOM 0 HG1 THR A 35 3.520 18.129 -0.468 1.00 62.01 H new ATOM 0 HG21 THR A 35 1.338 19.440 2.063 1.00 70.34 H new ATOM 0 HG22 THR A 35 -0.095 18.620 1.398 1.00 70.34 H new ATOM 0 HG23 THR A 35 1.219 17.665 2.125 1.00 70.34 H new ATOM 588 N LYS A 36 2.733 15.780 0.655 1.00 31.50 N ATOM 589 CA LYS A 36 3.166 14.602 1.405 1.00 14.15 C ATOM 590 C LYS A 36 2.371 14.454 2.697 1.00 70.20 C ATOM 591 O LYS A 36 1.926 13.361 3.041 1.00 33.03 O ATOM 592 CB LYS A 36 4.657 14.700 1.729 1.00 63.51 C ATOM 593 CG LYS A 36 5.229 13.467 2.413 1.00 0.11 C ATOM 594 CD LYS A 36 6.661 13.702 2.862 1.00 41.45 C ATOM 595 CE LYS A 36 7.272 12.444 3.457 1.00 61.21 C ATOM 596 NZ LYS A 36 8.635 12.688 3.991 1.00 20.25 N ATOM 0 H LYS A 36 3.467 16.474 0.512 1.00 31.50 H new ATOM 0 HA LYS A 36 2.987 13.724 0.784 1.00 14.15 H new ATOM 0 HB2 LYS A 36 5.207 14.877 0.805 1.00 63.51 H new ATOM 0 HB3 LYS A 36 4.822 15.566 2.369 1.00 63.51 H new ATOM 0 HG2 LYS A 36 4.613 13.207 3.274 1.00 0.11 H new ATOM 0 HG3 LYS A 36 5.194 12.619 1.729 1.00 0.11 H new ATOM 0 HD2 LYS A 36 7.260 14.032 2.013 1.00 41.45 H new ATOM 0 HD3 LYS A 36 6.685 14.504 3.600 1.00 41.45 H new ATOM 0 HE2 LYS A 36 6.631 12.072 4.256 1.00 61.21 H new ATOM 0 HE3 LYS A 36 7.315 11.666 2.695 1.00 61.21 H new ATOM 0 HZ1 LYS A 36 9.016 11.805 4.387 1.00 20.25 H new ATOM 0 HZ2 LYS A 36 9.254 13.018 3.224 1.00 20.25 H new ATOM 0 HZ3 LYS A 36 8.591 13.412 4.737 1.00 20.25 H new ATOM 610 N GLU A 37 2.194 15.565 3.398 1.00 10.14 N ATOM 611 CA GLU A 37 1.468 15.573 4.662 1.00 25.42 C ATOM 612 C GLU A 37 0.022 15.125 4.463 1.00 62.52 C ATOM 613 O GLU A 37 -0.518 14.363 5.266 1.00 53.41 O ATOM 614 CB GLU A 37 1.512 16.966 5.287 1.00 72.22 C ATOM 615 CG GLU A 37 2.922 17.491 5.499 1.00 42.03 C ATOM 616 CD GLU A 37 2.947 18.847 6.164 1.00 70.42 C ATOM 617 OE1 GLU A 37 2.760 19.864 5.464 1.00 14.31 O ATOM 618 OE2 GLU A 37 3.157 18.904 7.393 1.00 21.21 O ATOM 0 H GLU A 37 2.545 16.479 3.111 1.00 10.14 H new ATOM 0 HA GLU A 37 1.951 14.868 5.338 1.00 25.42 H new ATOM 0 HB2 GLU A 37 0.967 17.660 4.647 1.00 72.22 H new ATOM 0 HB3 GLU A 37 0.994 16.942 6.246 1.00 72.22 H new ATOM 0 HG2 GLU A 37 3.481 16.782 6.109 1.00 42.03 H new ATOM 0 HG3 GLU A 37 3.430 17.554 4.537 1.00 42.03 H new ATOM 625 N GLU A 38 -0.588 15.586 3.380 1.00 1.25 N ATOM 626 CA GLU A 38 -1.958 15.221 3.062 1.00 33.12 C ATOM 627 C GLU A 38 -2.049 13.749 2.703 1.00 3.35 C ATOM 628 O GLU A 38 -2.960 13.056 3.137 1.00 51.40 O ATOM 629 CB GLU A 38 -2.485 16.069 1.916 1.00 4.51 C ATOM 630 CG GLU A 38 -2.578 17.543 2.244 1.00 73.13 C ATOM 631 CD GLU A 38 -3.014 18.361 1.062 1.00 22.30 C ATOM 632 OE1 GLU A 38 -4.232 18.548 0.879 1.00 60.32 O ATOM 633 OE2 GLU A 38 -2.145 18.819 0.304 1.00 41.03 O ATOM 0 H GLU A 38 -0.153 16.215 2.706 1.00 1.25 H new ATOM 0 HA GLU A 38 -2.571 15.405 3.944 1.00 33.12 H new ATOM 0 HB2 GLU A 38 -1.836 15.939 1.050 1.00 4.51 H new ATOM 0 HB3 GLU A 38 -3.473 15.706 1.631 1.00 4.51 H new ATOM 0 HG2 GLU A 38 -3.282 17.687 3.063 1.00 73.13 H new ATOM 0 HG3 GLU A 38 -1.608 17.898 2.591 1.00 73.13 H new ATOM 640 N ALA A 39 -1.088 13.275 1.915 1.00 62.11 N ATOM 641 CA ALA A 39 -1.040 11.870 1.523 1.00 74.15 C ATOM 642 C ALA A 39 -0.949 10.977 2.754 1.00 50.05 C ATOM 643 O ALA A 39 -1.545 9.900 2.801 1.00 53.05 O ATOM 644 CB ALA A 39 0.139 11.619 0.595 1.00 14.33 C ATOM 0 H ALA A 39 -0.331 13.844 1.535 1.00 62.11 H new ATOM 0 HA ALA A 39 -1.959 11.628 0.989 1.00 74.15 H new ATOM 0 HB1 ALA A 39 0.161 10.567 0.311 1.00 14.33 H new ATOM 0 HB2 ALA A 39 0.035 12.234 -0.299 1.00 14.33 H new ATOM 0 HB3 ALA A 39 1.066 11.877 1.107 1.00 14.33 H new ATOM 650 N LEU A 40 -0.215 11.447 3.754 1.00 35.35 N ATOM 651 CA LEU A 40 -0.065 10.728 5.001 1.00 23.13 C ATOM 652 C LEU A 40 -1.417 10.630 5.703 1.00 63.33 C ATOM 653 O LEU A 40 -1.749 9.599 6.281 1.00 54.23 O ATOM 654 CB LEU A 40 0.987 11.437 5.892 1.00 51.42 C ATOM 655 CG LEU A 40 1.424 10.719 7.193 1.00 24.12 C ATOM 656 CD1 LEU A 40 0.381 10.867 8.290 1.00 74.11 C ATOM 657 CD2 LEU A 40 1.718 9.247 6.929 1.00 72.12 C ATOM 0 H LEU A 40 0.289 12.333 3.719 1.00 35.35 H new ATOM 0 HA LEU A 40 0.288 9.716 4.804 1.00 23.13 H new ATOM 0 HB2 LEU A 40 1.878 11.610 5.288 1.00 51.42 H new ATOM 0 HB3 LEU A 40 0.592 12.416 6.165 1.00 51.42 H new ATOM 0 HG LEU A 40 2.340 11.198 7.538 1.00 24.12 H new ATOM 0 HD11 LEU A 40 0.721 10.351 9.188 1.00 74.11 H new ATOM 0 HD12 LEU A 40 0.235 11.924 8.513 1.00 74.11 H new ATOM 0 HD13 LEU A 40 -0.562 10.432 7.957 1.00 74.11 H new ATOM 0 HD21 LEU A 40 2.023 8.765 7.858 1.00 72.12 H new ATOM 0 HD22 LEU A 40 0.822 8.760 6.544 1.00 72.12 H new ATOM 0 HD23 LEU A 40 2.520 9.162 6.196 1.00 72.12 H new ATOM 669 N GLU A 41 -2.203 11.702 5.622 1.00 60.32 N ATOM 670 CA GLU A 41 -3.521 11.735 6.242 1.00 50.43 C ATOM 671 C GLU A 41 -4.431 10.667 5.638 1.00 53.23 C ATOM 672 O GLU A 41 -5.182 10.002 6.359 1.00 34.53 O ATOM 673 CB GLU A 41 -4.154 13.116 6.099 1.00 71.13 C ATOM 674 CG GLU A 41 -3.360 14.226 6.763 1.00 52.45 C ATOM 675 CD GLU A 41 -4.023 15.572 6.618 1.00 13.44 C ATOM 676 OE1 GLU A 41 -3.900 16.185 5.543 1.00 34.24 O ATOM 677 OE2 GLU A 41 -4.689 16.022 7.581 1.00 43.20 O ATOM 0 H GLU A 41 -1.947 12.559 5.132 1.00 60.32 H new ATOM 0 HA GLU A 41 -3.398 11.522 7.304 1.00 50.43 H new ATOM 0 HB2 GLU A 41 -4.266 13.346 5.039 1.00 71.13 H new ATOM 0 HB3 GLU A 41 -5.156 13.092 6.528 1.00 71.13 H new ATOM 0 HG2 GLU A 41 -3.236 13.997 7.821 1.00 52.45 H new ATOM 0 HG3 GLU A 41 -2.362 14.267 6.326 1.00 52.45 H new ATOM 684 N LEU A 42 -4.367 10.509 4.313 1.00 60.02 N ATOM 685 CA LEU A 42 -5.131 9.469 3.636 1.00 64.32 C ATOM 686 C LEU A 42 -4.727 8.101 4.161 1.00 65.51 C ATOM 687 O LEU A 42 -5.577 7.302 4.555 1.00 3.13 O ATOM 688 CB LEU A 42 -4.937 9.526 2.110 1.00 62.12 C ATOM 689 CG LEU A 42 -5.789 10.558 1.351 1.00 43.12 C ATOM 690 CD1 LEU A 42 -5.323 11.975 1.622 1.00 74.44 C ATOM 691 CD2 LEU A 42 -5.780 10.266 -0.141 1.00 11.02 C ATOM 0 H LEU A 42 -3.797 11.086 3.695 1.00 60.02 H new ATOM 0 HA LEU A 42 -6.187 9.641 3.845 1.00 64.32 H new ATOM 0 HB2 LEU A 42 -3.887 9.734 1.907 1.00 62.12 H new ATOM 0 HB3 LEU A 42 -5.151 8.539 1.701 1.00 62.12 H new ATOM 0 HG LEU A 42 -6.813 10.473 1.716 1.00 43.12 H new ATOM 0 HD11 LEU A 42 -5.948 12.676 1.069 1.00 74.44 H new ATOM 0 HD12 LEU A 42 -5.399 12.185 2.689 1.00 74.44 H new ATOM 0 HD13 LEU A 42 -4.286 12.084 1.303 1.00 74.44 H new ATOM 0 HD21 LEU A 42 -6.388 11.007 -0.660 1.00 11.02 H new ATOM 0 HD22 LEU A 42 -4.757 10.310 -0.514 1.00 11.02 H new ATOM 0 HD23 LEU A 42 -6.189 9.271 -0.320 1.00 11.02 H new ATOM 703 N ILE A 43 -3.421 7.851 4.185 1.00 42.13 N ATOM 704 CA ILE A 43 -2.876 6.589 4.682 1.00 44.54 C ATOM 705 C ILE A 43 -3.313 6.351 6.125 1.00 45.45 C ATOM 706 O ILE A 43 -3.773 5.262 6.478 1.00 13.05 O ATOM 707 CB ILE A 43 -1.327 6.589 4.620 1.00 30.15 C ATOM 708 CG1 ILE A 43 -0.839 6.817 3.182 1.00 41.22 C ATOM 709 CG2 ILE A 43 -0.759 5.291 5.183 1.00 13.21 C ATOM 710 CD1 ILE A 43 -1.248 5.731 2.209 1.00 34.41 C ATOM 0 H ILE A 43 -2.714 8.512 3.863 1.00 42.13 H new ATOM 0 HA ILE A 43 -3.259 5.792 4.045 1.00 44.54 H new ATOM 0 HB ILE A 43 -0.966 7.412 5.237 1.00 30.15 H new ATOM 0 HG12 ILE A 43 -1.225 7.772 2.826 1.00 41.22 H new ATOM 0 HG13 ILE A 43 0.248 6.894 3.187 1.00 41.22 H new ATOM 0 HG21 ILE A 43 0.329 5.316 5.128 1.00 13.21 H new ATOM 0 HG22 ILE A 43 -1.067 5.180 6.222 1.00 13.21 H new ATOM 0 HG23 ILE A 43 -1.132 4.448 4.601 1.00 13.21 H new ATOM 0 HD11 ILE A 43 -0.864 5.968 1.217 1.00 34.41 H new ATOM 0 HD12 ILE A 43 -0.840 4.775 2.538 1.00 34.41 H new ATOM 0 HD13 ILE A 43 -2.335 5.667 2.171 1.00 34.41 H new ATOM 722 N ASN A 44 -3.182 7.388 6.940 1.00 3.41 N ATOM 723 CA ASN A 44 -3.550 7.339 8.353 1.00 1.42 C ATOM 724 C ASN A 44 -5.009 6.920 8.515 1.00 70.54 C ATOM 725 O ASN A 44 -5.343 6.101 9.378 1.00 35.44 O ATOM 726 CB ASN A 44 -3.324 8.714 8.992 1.00 25.13 C ATOM 727 CG ASN A 44 -3.456 8.700 10.501 1.00 60.33 C ATOM 728 OD1 ASN A 44 -4.547 8.874 11.049 1.00 2.25 O ATOM 729 ND2 ASN A 44 -2.343 8.510 11.183 1.00 3.15 N ATOM 0 H ASN A 44 -2.816 8.292 6.641 1.00 3.41 H new ATOM 0 HA ASN A 44 -2.924 6.600 8.853 1.00 1.42 H new ATOM 0 HB2 ASN A 44 -2.330 9.073 8.724 1.00 25.13 H new ATOM 0 HB3 ASN A 44 -4.041 9.422 8.578 1.00 25.13 H new ATOM 0 HD21 ASN A 44 -2.365 8.503 12.203 1.00 3.15 H new ATOM 0 HD22 ASN A 44 -1.461 8.370 10.691 1.00 3.15 H new ATOM 736 N GLY A 45 -5.866 7.472 7.665 1.00 35.14 N ATOM 737 CA GLY A 45 -7.275 7.150 7.708 1.00 41.33 C ATOM 738 C GLY A 45 -7.552 5.720 7.294 1.00 21.32 C ATOM 739 O GLY A 45 -8.381 5.039 7.907 1.00 2.24 O ATOM 0 H GLY A 45 -5.605 8.142 6.942 1.00 35.14 H new ATOM 0 HA2 GLY A 45 -7.652 7.313 8.718 1.00 41.33 H new ATOM 0 HA3 GLY A 45 -7.820 7.828 7.051 1.00 41.33 H new ATOM 743 N TYR A 46 -6.847 5.252 6.258 1.00 61.21 N ATOM 744 CA TYR A 46 -7.021 3.884 5.768 1.00 70.21 C ATOM 745 C TYR A 46 -6.696 2.882 6.860 1.00 72.25 C ATOM 746 O TYR A 46 -7.376 1.869 7.000 1.00 12.01 O ATOM 747 CB TYR A 46 -6.141 3.602 4.543 1.00 11.14 C ATOM 748 CG TYR A 46 -6.379 4.518 3.361 1.00 23.44 C ATOM 749 CD1 TYR A 46 -7.642 5.031 3.081 1.00 72.31 C ATOM 750 CD2 TYR A 46 -5.333 4.866 2.521 1.00 71.25 C ATOM 751 CE1 TYR A 46 -7.846 5.866 1.998 1.00 72.12 C ATOM 752 CE2 TYR A 46 -5.530 5.696 1.442 1.00 23.34 C ATOM 753 CZ TYR A 46 -6.783 6.194 1.184 1.00 65.30 C ATOM 754 OH TYR A 46 -6.974 7.024 0.108 1.00 74.25 O ATOM 0 H TYR A 46 -6.154 5.799 5.746 1.00 61.21 H new ATOM 0 HA TYR A 46 -8.065 3.780 5.473 1.00 70.21 H new ATOM 0 HB2 TYR A 46 -5.095 3.680 4.840 1.00 11.14 H new ATOM 0 HB3 TYR A 46 -6.306 2.573 4.225 1.00 11.14 H new ATOM 0 HD1 TYR A 46 -8.475 4.773 3.719 1.00 72.31 H new ATOM 0 HD2 TYR A 46 -4.344 4.478 2.717 1.00 71.25 H new ATOM 0 HE1 TYR A 46 -8.831 6.258 1.791 1.00 72.12 H new ATOM 0 HE2 TYR A 46 -4.701 5.955 0.800 1.00 23.34 H new ATOM 0 HH TYR A 46 -7.809 6.784 -0.346 1.00 74.25 H new ATOM 764 N ILE A 47 -5.656 3.182 7.643 1.00 72.33 N ATOM 765 CA ILE A 47 -5.242 2.315 8.744 1.00 42.24 C ATOM 766 C ILE A 47 -6.422 2.027 9.672 1.00 2.31 C ATOM 767 O ILE A 47 -6.623 0.891 10.111 1.00 74.13 O ATOM 768 CB ILE A 47 -4.081 2.940 9.560 1.00 21.42 C ATOM 769 CG1 ILE A 47 -2.870 3.197 8.654 1.00 52.33 C ATOM 770 CG2 ILE A 47 -3.692 2.032 10.722 1.00 5.23 C ATOM 771 CD1 ILE A 47 -1.714 3.883 9.353 1.00 51.22 C ATOM 0 H ILE A 47 -5.086 4.021 7.533 1.00 72.33 H new ATOM 0 HA ILE A 47 -4.888 1.382 8.305 1.00 42.24 H new ATOM 0 HB ILE A 47 -4.420 3.893 9.967 1.00 21.42 H new ATOM 0 HG12 ILE A 47 -2.524 2.246 8.249 1.00 52.33 H new ATOM 0 HG13 ILE A 47 -3.185 3.808 7.808 1.00 52.33 H new ATOM 0 HG21 ILE A 47 -2.876 2.488 11.283 1.00 5.23 H new ATOM 0 HG22 ILE A 47 -4.551 1.894 11.379 1.00 5.23 H new ATOM 0 HG23 ILE A 47 -3.371 1.064 10.336 1.00 5.23 H new ATOM 0 HD11 ILE A 47 -0.897 4.030 8.647 1.00 51.22 H new ATOM 0 HD12 ILE A 47 -2.042 4.850 9.735 1.00 51.22 H new ATOM 0 HD13 ILE A 47 -1.371 3.264 10.182 1.00 51.22 H new ATOM 783 N GLN A 48 -7.213 3.054 9.942 1.00 65.11 N ATOM 784 CA GLN A 48 -8.390 2.905 10.779 1.00 60.34 C ATOM 785 C GLN A 48 -9.467 2.127 10.039 1.00 31.24 C ATOM 786 O GLN A 48 -9.935 1.101 10.518 1.00 52.35 O ATOM 787 CB GLN A 48 -8.932 4.271 11.207 1.00 34.12 C ATOM 788 CG GLN A 48 -7.980 5.069 12.079 1.00 10.24 C ATOM 789 CD GLN A 48 -7.657 4.367 13.387 1.00 45.24 C ATOM 790 OE1 GLN A 48 -8.361 4.535 14.383 1.00 62.24 O ATOM 791 NE2 GLN A 48 -6.581 3.598 13.403 1.00 32.33 N ATOM 0 H GLN A 48 -7.060 4.000 9.593 1.00 65.11 H new ATOM 0 HA GLN A 48 -8.103 2.353 11.674 1.00 60.34 H new ATOM 0 HB2 GLN A 48 -9.166 4.853 10.315 1.00 34.12 H new ATOM 0 HB3 GLN A 48 -9.868 4.126 11.747 1.00 34.12 H new ATOM 0 HG2 GLN A 48 -7.056 5.250 11.530 1.00 10.24 H new ATOM 0 HG3 GLN A 48 -8.419 6.043 12.293 1.00 10.24 H new ATOM 0 HE21 GLN A 48 -6.023 3.484 12.557 1.00 32.33 H new ATOM 0 HE22 GLN A 48 -6.309 3.119 14.262 1.00 32.33 H new ATOM 800 N LYS A 49 -9.814 2.600 8.842 1.00 43.04 N ATOM 801 CA LYS A 49 -10.865 1.982 8.027 1.00 52.12 C ATOM 802 C LYS A 49 -10.676 0.470 7.884 1.00 53.34 C ATOM 803 O LYS A 49 -11.628 -0.301 8.028 1.00 41.23 O ATOM 804 CB LYS A 49 -10.902 2.613 6.633 1.00 1.13 C ATOM 805 CG LYS A 49 -11.288 4.081 6.610 1.00 4.23 C ATOM 806 CD LYS A 49 -11.250 4.629 5.190 1.00 31.24 C ATOM 807 CE LYS A 49 -11.700 6.081 5.131 1.00 23.32 C ATOM 808 NZ LYS A 49 -13.100 6.247 5.593 1.00 14.54 N ATOM 0 H LYS A 49 -9.380 3.416 8.411 1.00 43.04 H new ATOM 0 HA LYS A 49 -11.807 2.160 8.545 1.00 52.12 H new ATOM 0 HB2 LYS A 49 -9.920 2.503 6.173 1.00 1.13 H new ATOM 0 HB3 LYS A 49 -11.607 2.056 6.016 1.00 1.13 H new ATOM 0 HG2 LYS A 49 -12.288 4.205 7.026 1.00 4.23 H new ATOM 0 HG3 LYS A 49 -10.607 4.650 7.243 1.00 4.23 H new ATOM 0 HD2 LYS A 49 -10.237 4.546 4.796 1.00 31.24 H new ATOM 0 HD3 LYS A 49 -11.892 4.024 4.550 1.00 31.24 H new ATOM 0 HE2 LYS A 49 -11.040 6.691 5.748 1.00 23.32 H new ATOM 0 HE3 LYS A 49 -11.610 6.448 4.108 1.00 23.32 H new ATOM 0 HZ1 LYS A 49 -13.412 7.222 5.411 1.00 14.54 H new ATOM 0 HZ2 LYS A 49 -13.716 5.585 5.080 1.00 14.54 H new ATOM 0 HZ3 LYS A 49 -13.155 6.051 6.613 1.00 14.54 H new ATOM 822 N ILE A 50 -9.453 0.059 7.616 1.00 63.31 N ATOM 823 CA ILE A 50 -9.146 -1.342 7.379 1.00 52.43 C ATOM 824 C ILE A 50 -9.147 -2.175 8.668 1.00 54.12 C ATOM 825 O ILE A 50 -9.896 -3.153 8.779 1.00 73.21 O ATOM 826 CB ILE A 50 -7.781 -1.498 6.668 1.00 61.21 C ATOM 827 CG1 ILE A 50 -7.797 -0.751 5.332 1.00 21.34 C ATOM 828 CG2 ILE A 50 -7.451 -2.974 6.450 1.00 33.02 C ATOM 829 CD1 ILE A 50 -6.437 -0.628 4.688 1.00 21.54 C ATOM 0 H ILE A 50 -8.646 0.680 7.556 1.00 63.31 H new ATOM 0 HA ILE A 50 -9.940 -1.721 6.736 1.00 52.43 H new ATOM 0 HB ILE A 50 -7.007 -1.067 7.303 1.00 61.21 H new ATOM 0 HG12 ILE A 50 -8.469 -1.267 4.646 1.00 21.34 H new ATOM 0 HG13 ILE A 50 -8.206 0.247 5.489 1.00 21.34 H new ATOM 0 HG21 ILE A 50 -6.487 -3.061 5.949 1.00 33.02 H new ATOM 0 HG22 ILE A 50 -7.407 -3.483 7.413 1.00 33.02 H new ATOM 0 HG23 ILE A 50 -8.224 -3.432 5.833 1.00 33.02 H new ATOM 0 HD11 ILE A 50 -6.528 -0.087 3.746 1.00 21.54 H new ATOM 0 HD12 ILE A 50 -5.767 -0.085 5.354 1.00 21.54 H new ATOM 0 HD13 ILE A 50 -6.033 -1.622 4.498 1.00 21.54 H new ATOM 841 N LYS A 51 -8.339 -1.778 9.645 1.00 50.53 N ATOM 842 CA LYS A 51 -8.170 -2.585 10.855 1.00 44.52 C ATOM 843 C LYS A 51 -9.332 -2.470 11.837 1.00 23.15 C ATOM 844 O LYS A 51 -9.613 -3.412 12.573 1.00 44.01 O ATOM 845 CB LYS A 51 -6.839 -2.285 11.541 1.00 30.11 C ATOM 846 CG LYS A 51 -5.630 -2.635 10.683 1.00 10.34 C ATOM 847 CD LYS A 51 -4.335 -2.625 11.483 1.00 33.30 C ATOM 848 CE LYS A 51 -4.330 -3.710 12.554 1.00 0.54 C ATOM 849 NZ LYS A 51 -3.014 -3.821 13.227 1.00 74.42 N ATOM 0 H LYS A 51 -7.796 -0.915 9.628 1.00 50.53 H new ATOM 0 HA LYS A 51 -8.163 -3.622 10.519 1.00 44.52 H new ATOM 0 HB2 LYS A 51 -6.800 -1.226 11.798 1.00 30.11 H new ATOM 0 HB3 LYS A 51 -6.786 -2.842 12.477 1.00 30.11 H new ATOM 0 HG2 LYS A 51 -5.774 -3.621 10.240 1.00 10.34 H new ATOM 0 HG3 LYS A 51 -5.552 -1.924 9.860 1.00 10.34 H new ATOM 0 HD2 LYS A 51 -3.490 -2.772 10.811 1.00 33.30 H new ATOM 0 HD3 LYS A 51 -4.203 -1.650 11.951 1.00 33.30 H new ATOM 0 HE2 LYS A 51 -5.099 -3.491 13.295 1.00 0.54 H new ATOM 0 HE3 LYS A 51 -4.587 -4.667 12.101 1.00 0.54 H new ATOM 0 HZ1 LYS A 51 -3.150 -4.160 14.201 1.00 74.42 H new ATOM 0 HZ2 LYS A 51 -2.414 -4.492 12.707 1.00 74.42 H new ATOM 0 HZ3 LYS A 51 -2.554 -2.888 13.246 1.00 74.42 H new ATOM 863 N SER A 52 -10.016 -1.340 11.851 1.00 55.15 N ATOM 864 CA SER A 52 -11.149 -1.174 12.753 1.00 42.55 C ATOM 865 C SER A 52 -12.373 -1.933 12.235 1.00 31.14 C ATOM 866 O SER A 52 -13.313 -2.200 12.981 1.00 53.23 O ATOM 867 CB SER A 52 -11.472 0.305 12.950 1.00 33.53 C ATOM 868 OG SER A 52 -10.347 0.999 13.473 1.00 12.22 O ATOM 0 H SER A 52 -9.814 -0.534 11.260 1.00 55.15 H new ATOM 0 HA SER A 52 -10.875 -1.594 13.721 1.00 42.55 H new ATOM 0 HB2 SER A 52 -11.769 0.747 11.999 1.00 33.53 H new ATOM 0 HB3 SER A 52 -12.318 0.410 13.629 1.00 33.53 H new ATOM 0 HG SER A 52 -9.777 1.300 12.735 1.00 12.22 H new ATOM 874 N GLY A 53 -12.344 -2.291 10.960 1.00 52.22 N ATOM 875 CA GLY A 53 -13.442 -3.029 10.377 1.00 3.23 C ATOM 876 C GLY A 53 -14.517 -2.119 9.838 1.00 2.51 C ATOM 877 O GLY A 53 -15.699 -2.314 10.112 1.00 23.10 O ATOM 0 H GLY A 53 -11.578 -2.083 10.319 1.00 52.22 H new ATOM 0 HA2 GLY A 53 -13.066 -3.661 9.572 1.00 3.23 H new ATOM 0 HA3 GLY A 53 -13.872 -3.691 11.128 1.00 3.23 H new ATOM 881 N GLU A 54 -14.109 -1.121 9.081 1.00 21.31 N ATOM 882 CA GLU A 54 -15.041 -0.174 8.501 1.00 50.53 C ATOM 883 C GLU A 54 -15.165 -0.407 7.008 1.00 13.12 C ATOM 884 O GLU A 54 -16.230 -0.774 6.507 1.00 24.01 O ATOM 885 CB GLU A 54 -14.576 1.255 8.753 1.00 14.20 C ATOM 886 CG GLU A 54 -14.427 1.613 10.218 1.00 21.03 C ATOM 887 CD GLU A 54 -13.980 3.040 10.408 1.00 1.32 C ATOM 888 OE1 GLU A 54 -14.831 3.948 10.310 1.00 40.23 O ATOM 889 OE2 GLU A 54 -12.780 3.264 10.638 1.00 33.45 O ATOM 0 H GLU A 54 -13.131 -0.944 8.852 1.00 21.31 H new ATOM 0 HA GLU A 54 -16.013 -0.321 8.972 1.00 50.53 H new ATOM 0 HB2 GLU A 54 -13.618 1.406 8.255 1.00 14.20 H new ATOM 0 HB3 GLU A 54 -15.286 1.942 8.293 1.00 14.20 H new ATOM 0 HG2 GLU A 54 -15.379 1.460 10.727 1.00 21.03 H new ATOM 0 HG3 GLU A 54 -13.705 0.942 10.684 1.00 21.03 H new ATOM 896 N GLU A 55 -14.068 -0.207 6.304 1.00 44.22 N ATOM 897 CA GLU A 55 -14.046 -0.371 4.868 1.00 72.34 C ATOM 898 C GLU A 55 -12.976 -1.366 4.469 1.00 2.25 C ATOM 899 O GLU A 55 -11.906 -1.425 5.081 1.00 10.40 O ATOM 900 CB GLU A 55 -13.822 0.974 4.172 1.00 44.24 C ATOM 901 CG GLU A 55 -14.896 2.005 4.488 1.00 74.12 C ATOM 902 CD GLU A 55 -14.795 3.240 3.628 1.00 20.43 C ATOM 903 OE1 GLU A 55 -15.087 3.142 2.421 1.00 12.12 O ATOM 904 OE2 GLU A 55 -14.434 4.322 4.155 1.00 62.43 O ATOM 0 H GLU A 55 -13.175 0.072 6.710 1.00 44.22 H new ATOM 0 HA GLU A 55 -15.014 -0.758 4.550 1.00 72.34 H new ATOM 0 HB2 GLU A 55 -12.851 1.370 4.468 1.00 44.24 H new ATOM 0 HB3 GLU A 55 -13.787 0.815 3.094 1.00 44.24 H new ATOM 0 HG2 GLU A 55 -15.878 1.553 4.351 1.00 74.12 H new ATOM 0 HG3 GLU A 55 -14.820 2.292 5.537 1.00 74.12 H new ATOM 911 N ASP A 56 -13.274 -2.153 3.459 1.00 34.15 N ATOM 912 CA ASP A 56 -12.366 -3.186 2.985 1.00 72.52 C ATOM 913 C ASP A 56 -11.174 -2.588 2.277 1.00 75.01 C ATOM 914 O ASP A 56 -11.298 -1.576 1.580 1.00 40.43 O ATOM 915 CB ASP A 56 -13.084 -4.134 2.021 1.00 0.42 C ATOM 916 CG ASP A 56 -14.181 -4.933 2.676 1.00 54.33 C ATOM 917 OD1 ASP A 56 -13.894 -6.036 3.184 1.00 63.32 O ATOM 918 OD2 ASP A 56 -15.342 -4.469 2.673 1.00 30.12 O ATOM 0 H ASP A 56 -14.151 -2.099 2.940 1.00 34.15 H new ATOM 0 HA ASP A 56 -12.022 -3.737 3.860 1.00 72.52 H new ATOM 0 HB2 ASP A 56 -13.507 -3.555 1.200 1.00 0.42 H new ATOM 0 HB3 ASP A 56 -12.356 -4.819 1.586 1.00 0.42 H new ATOM 923 N PHE A 57 -10.017 -3.222 2.447 1.00 5.24 N ATOM 924 CA PHE A 57 -8.812 -2.809 1.745 1.00 34.25 C ATOM 925 C PHE A 57 -9.064 -2.884 0.251 1.00 50.43 C ATOM 926 O PHE A 57 -8.609 -2.041 -0.509 1.00 1.14 O ATOM 927 CB PHE A 57 -7.626 -3.712 2.129 1.00 72.32 C ATOM 928 CG PHE A 57 -6.354 -3.418 1.368 1.00 31.11 C ATOM 929 CD1 PHE A 57 -5.470 -2.451 1.814 1.00 40.43 C ATOM 930 CD2 PHE A 57 -6.046 -4.112 0.207 1.00 63.11 C ATOM 931 CE1 PHE A 57 -4.306 -2.180 1.121 1.00 31.24 C ATOM 932 CE2 PHE A 57 -4.885 -3.844 -0.491 1.00 62.44 C ATOM 933 CZ PHE A 57 -4.014 -2.877 -0.033 1.00 10.24 C ATOM 0 H PHE A 57 -9.891 -4.023 3.065 1.00 5.24 H new ATOM 0 HA PHE A 57 -8.563 -1.786 2.026 1.00 34.25 H new ATOM 0 HB2 PHE A 57 -7.431 -3.604 3.196 1.00 72.32 H new ATOM 0 HB3 PHE A 57 -7.906 -4.752 1.960 1.00 72.32 H new ATOM 0 HD1 PHE A 57 -5.693 -1.901 2.716 1.00 40.43 H new ATOM 0 HD2 PHE A 57 -6.723 -4.872 -0.156 1.00 63.11 H new ATOM 0 HE1 PHE A 57 -3.625 -1.423 1.482 1.00 31.24 H new ATOM 0 HE2 PHE A 57 -4.659 -4.391 -1.395 1.00 62.44 H new ATOM 0 HZ PHE A 57 -3.105 -2.666 -0.577 1.00 10.24 H new ATOM 943 N GLU A 58 -9.823 -3.900 -0.145 1.00 12.44 N ATOM 944 CA GLU A 58 -10.194 -4.115 -1.534 1.00 50.54 C ATOM 945 C GLU A 58 -10.872 -2.882 -2.114 1.00 65.40 C ATOM 946 O GLU A 58 -10.439 -2.341 -3.134 1.00 21.30 O ATOM 947 CB GLU A 58 -11.149 -5.300 -1.634 1.00 41.21 C ATOM 948 CG GLU A 58 -10.554 -6.621 -1.198 1.00 1.13 C ATOM 949 CD GLU A 58 -11.564 -7.741 -1.254 1.00 12.33 C ATOM 950 OE1 GLU A 58 -11.881 -8.206 -2.366 1.00 30.44 O ATOM 951 OE2 GLU A 58 -12.055 -8.155 -0.185 1.00 34.42 O ATOM 0 H GLU A 58 -10.199 -4.600 0.494 1.00 12.44 H new ATOM 0 HA GLU A 58 -9.285 -4.317 -2.101 1.00 50.54 H new ATOM 0 HB2 GLU A 58 -12.030 -5.094 -1.026 1.00 41.21 H new ATOM 0 HB3 GLU A 58 -11.489 -5.391 -2.666 1.00 41.21 H new ATOM 0 HG2 GLU A 58 -9.706 -6.865 -1.837 1.00 1.13 H new ATOM 0 HG3 GLU A 58 -10.171 -6.528 -0.182 1.00 1.13 H new ATOM 958 N SER A 59 -11.924 -2.441 -1.445 1.00 45.51 N ATOM 959 CA SER A 59 -12.710 -1.301 -1.880 1.00 51.21 C ATOM 960 C SER A 59 -11.867 -0.025 -1.919 1.00 40.23 C ATOM 961 O SER A 59 -12.045 0.824 -2.797 1.00 63.14 O ATOM 962 CB SER A 59 -13.889 -1.119 -0.932 1.00 65.13 C ATOM 963 OG SER A 59 -14.495 -2.372 -0.645 1.00 41.13 O ATOM 0 H SER A 59 -12.258 -2.867 -0.580 1.00 45.51 H new ATOM 0 HA SER A 59 -13.070 -1.491 -2.891 1.00 51.21 H new ATOM 0 HB2 SER A 59 -13.551 -0.652 -0.007 1.00 65.13 H new ATOM 0 HB3 SER A 59 -14.622 -0.448 -1.379 1.00 65.13 H new ATOM 0 HG SER A 59 -15.249 -2.238 -0.034 1.00 41.13 H new ATOM 969 N LEU A 60 -10.947 0.096 -0.977 1.00 21.15 N ATOM 970 CA LEU A 60 -10.098 1.271 -0.893 1.00 5.53 C ATOM 971 C LEU A 60 -9.006 1.250 -1.962 1.00 50.51 C ATOM 972 O LEU A 60 -8.822 2.220 -2.692 1.00 64.01 O ATOM 973 CB LEU A 60 -9.466 1.380 0.500 1.00 54.12 C ATOM 974 CG LEU A 60 -10.445 1.516 1.672 1.00 62.22 C ATOM 975 CD1 LEU A 60 -9.693 1.552 2.992 1.00 24.30 C ATOM 976 CD2 LEU A 60 -11.305 2.762 1.515 1.00 45.43 C ATOM 0 H LEU A 60 -10.769 -0.606 -0.259 1.00 21.15 H new ATOM 0 HA LEU A 60 -10.727 2.144 -1.068 1.00 5.53 H new ATOM 0 HB2 LEU A 60 -8.849 0.497 0.668 1.00 54.12 H new ATOM 0 HB3 LEU A 60 -8.798 2.241 0.508 1.00 54.12 H new ATOM 0 HG LEU A 60 -11.101 0.646 1.671 1.00 62.22 H new ATOM 0 HD11 LEU A 60 -10.403 1.649 3.813 1.00 24.30 H new ATOM 0 HD12 LEU A 60 -9.124 0.630 3.112 1.00 24.30 H new ATOM 0 HD13 LEU A 60 -9.012 2.403 3.000 1.00 24.30 H new ATOM 0 HD21 LEU A 60 -11.992 2.838 2.358 1.00 45.43 H new ATOM 0 HD22 LEU A 60 -10.666 3.644 1.487 1.00 45.43 H new ATOM 0 HD23 LEU A 60 -11.874 2.697 0.588 1.00 45.43 H new ATOM 988 N ALA A 61 -8.307 0.137 -2.068 1.00 42.24 N ATOM 989 CA ALA A 61 -7.193 0.019 -2.998 1.00 45.51 C ATOM 990 C ALA A 61 -7.639 0.052 -4.458 1.00 53.55 C ATOM 991 O ALA A 61 -6.916 0.539 -5.311 1.00 73.44 O ATOM 992 CB ALA A 61 -6.390 -1.235 -2.713 1.00 34.40 C ATOM 0 H ALA A 61 -8.489 -0.704 -1.520 1.00 42.24 H new ATOM 0 HA ALA A 61 -6.558 0.891 -2.842 1.00 45.51 H new ATOM 0 HB1 ALA A 61 -5.562 -1.305 -3.419 1.00 34.40 H new ATOM 0 HB2 ALA A 61 -5.998 -1.193 -1.697 1.00 34.40 H new ATOM 0 HB3 ALA A 61 -7.032 -2.110 -2.819 1.00 34.40 H new ATOM 998 N SER A 62 -8.826 -0.447 -4.739 1.00 34.13 N ATOM 999 CA SER A 62 -9.323 -0.470 -6.114 1.00 71.23 C ATOM 1000 C SER A 62 -9.667 0.935 -6.619 1.00 24.51 C ATOM 1001 O SER A 62 -9.761 1.161 -7.825 1.00 44.32 O ATOM 1002 CB SER A 62 -10.553 -1.371 -6.227 1.00 5.30 C ATOM 1003 OG SER A 62 -10.267 -2.688 -5.793 1.00 42.32 O ATOM 0 H SER A 62 -9.464 -0.840 -4.047 1.00 34.13 H new ATOM 0 HA SER A 62 -8.523 -0.869 -6.737 1.00 71.23 H new ATOM 0 HB2 SER A 62 -11.366 -0.957 -5.630 1.00 5.30 H new ATOM 0 HB3 SER A 62 -10.897 -1.393 -7.261 1.00 5.30 H new ATOM 0 HG SER A 62 -10.276 -2.719 -4.814 1.00 42.32 H new ATOM 1009 N GLN A 63 -9.859 1.872 -5.700 1.00 34.14 N ATOM 1010 CA GLN A 63 -10.260 3.220 -6.080 1.00 60.04 C ATOM 1011 C GLN A 63 -9.204 4.275 -5.741 1.00 15.40 C ATOM 1012 O GLN A 63 -8.929 5.163 -6.545 1.00 10.53 O ATOM 1013 CB GLN A 63 -11.581 3.583 -5.410 1.00 74.24 C ATOM 1014 CG GLN A 63 -12.724 2.644 -5.753 1.00 32.25 C ATOM 1015 CD GLN A 63 -14.004 3.009 -5.041 1.00 31.12 C ATOM 1016 OE1 GLN A 63 -14.817 3.779 -5.554 1.00 62.24 O ATOM 1017 NE2 GLN A 63 -14.189 2.469 -3.855 1.00 34.13 N ATOM 0 H GLN A 63 -9.745 1.726 -4.697 1.00 34.14 H new ATOM 0 HA GLN A 63 -10.376 3.218 -7.164 1.00 60.04 H new ATOM 0 HB2 GLN A 63 -11.440 3.588 -4.329 1.00 74.24 H new ATOM 0 HB3 GLN A 63 -11.857 4.597 -5.700 1.00 74.24 H new ATOM 0 HG2 GLN A 63 -12.893 2.661 -6.830 1.00 32.25 H new ATOM 0 HG3 GLN A 63 -12.444 1.624 -5.490 1.00 32.25 H new ATOM 0 HE21 GLN A 63 -13.489 1.836 -3.468 1.00 34.13 H new ATOM 0 HE22 GLN A 63 -15.032 2.683 -3.323 1.00 34.13 H new ATOM 1026 N PHE A 64 -8.631 4.186 -4.555 1.00 3.33 N ATOM 1027 CA PHE A 64 -7.688 5.201 -4.084 1.00 51.23 C ATOM 1028 C PHE A 64 -6.251 4.903 -4.493 1.00 53.50 C ATOM 1029 O PHE A 64 -5.487 5.819 -4.794 1.00 52.25 O ATOM 1030 CB PHE A 64 -7.775 5.346 -2.567 1.00 32.15 C ATOM 1031 CG PHE A 64 -9.112 5.830 -2.080 1.00 4.15 C ATOM 1032 CD1 PHE A 64 -9.378 7.183 -1.985 1.00 12.34 C ATOM 1033 CD2 PHE A 64 -10.099 4.931 -1.715 1.00 1.43 C ATOM 1034 CE1 PHE A 64 -10.602 7.631 -1.536 1.00 0.41 C ATOM 1035 CE2 PHE A 64 -11.326 5.372 -1.266 1.00 60.14 C ATOM 1036 CZ PHE A 64 -11.578 6.724 -1.175 1.00 63.24 C ATOM 0 H PHE A 64 -8.797 3.425 -3.896 1.00 3.33 H new ATOM 0 HA PHE A 64 -7.974 6.139 -4.560 1.00 51.23 H new ATOM 0 HB2 PHE A 64 -7.558 4.382 -2.106 1.00 32.15 H new ATOM 0 HB3 PHE A 64 -7.004 6.040 -2.233 1.00 32.15 H new ATOM 0 HD1 PHE A 64 -8.618 7.897 -2.266 1.00 12.34 H new ATOM 0 HD2 PHE A 64 -9.906 3.871 -1.783 1.00 1.43 H new ATOM 0 HE1 PHE A 64 -10.797 8.691 -1.467 1.00 0.41 H new ATOM 0 HE2 PHE A 64 -12.088 4.659 -0.986 1.00 60.14 H new ATOM 0 HZ PHE A 64 -12.537 7.073 -0.822 1.00 63.24 H new ATOM 1046 N SER A 65 -5.889 3.633 -4.503 1.00 14.03 N ATOM 1047 CA SER A 65 -4.532 3.238 -4.837 1.00 41.24 C ATOM 1048 C SER A 65 -4.222 3.561 -6.287 1.00 13.21 C ATOM 1049 O SER A 65 -4.962 3.174 -7.189 1.00 74.41 O ATOM 1050 CB SER A 65 -4.334 1.742 -4.586 1.00 54.55 C ATOM 1051 OG SER A 65 -2.969 1.372 -4.688 1.00 33.14 O ATOM 0 H SER A 65 -6.515 2.858 -4.284 1.00 14.03 H new ATOM 0 HA SER A 65 -3.849 3.799 -4.199 1.00 41.24 H new ATOM 0 HB2 SER A 65 -4.708 1.486 -3.595 1.00 54.55 H new ATOM 0 HB3 SER A 65 -4.921 1.171 -5.305 1.00 54.55 H new ATOM 0 HG SER A 65 -2.902 0.406 -4.840 1.00 33.14 H new ATOM 1057 N ASP A 66 -3.140 4.285 -6.509 1.00 64.12 N ATOM 1058 CA ASP A 66 -2.718 4.616 -7.862 1.00 52.41 C ATOM 1059 C ASP A 66 -1.982 3.443 -8.482 1.00 22.23 C ATOM 1060 O ASP A 66 -1.879 3.327 -9.706 1.00 33.30 O ATOM 1061 CB ASP A 66 -1.829 5.857 -7.872 1.00 22.15 C ATOM 1062 CG ASP A 66 -1.271 6.149 -9.250 1.00 21.24 C ATOM 1063 OD1 ASP A 66 -1.987 6.745 -10.074 1.00 20.22 O ATOM 1064 OD2 ASP A 66 -0.111 5.776 -9.515 1.00 74.20 O ATOM 0 H ASP A 66 -2.538 4.655 -5.774 1.00 64.12 H new ATOM 0 HA ASP A 66 -3.609 4.831 -8.452 1.00 52.41 H new ATOM 0 HB2 ASP A 66 -2.403 6.716 -7.525 1.00 22.15 H new ATOM 0 HB3 ASP A 66 -1.006 5.718 -7.170 1.00 22.15 H new ATOM 1069 N ASP A 67 -1.493 2.564 -7.617 1.00 53.13 N ATOM 1070 CA ASP A 67 -0.746 1.378 -8.025 1.00 43.13 C ATOM 1071 C ASP A 67 -1.507 0.605 -9.099 1.00 62.12 C ATOM 1072 O ASP A 67 -2.730 0.500 -9.043 1.00 32.43 O ATOM 1073 CB ASP A 67 -0.512 0.478 -6.813 1.00 24.33 C ATOM 1074 CG ASP A 67 0.494 -0.615 -7.075 1.00 74.51 C ATOM 1075 OD1 ASP A 67 0.204 -1.515 -7.873 1.00 31.50 O ATOM 1076 OD2 ASP A 67 1.573 -0.581 -6.461 1.00 41.34 O ATOM 0 H ASP A 67 -1.603 2.653 -6.607 1.00 53.13 H new ATOM 0 HA ASP A 67 0.212 1.694 -8.438 1.00 43.13 H new ATOM 0 HB2 ASP A 67 -0.169 1.087 -5.976 1.00 24.33 H new ATOM 0 HB3 ASP A 67 -1.459 0.028 -6.513 1.00 24.33 H new ATOM 1081 N SER A 68 -0.782 0.062 -10.063 1.00 72.21 N ATOM 1082 CA SER A 68 -1.389 -0.677 -11.164 1.00 44.45 C ATOM 1083 C SER A 68 -2.173 -1.901 -10.673 1.00 2.15 C ATOM 1084 O SER A 68 -3.069 -2.390 -11.361 1.00 11.03 O ATOM 1085 CB SER A 68 -0.318 -1.090 -12.167 1.00 21.10 C ATOM 1086 OG SER A 68 0.346 0.057 -12.687 1.00 55.31 O ATOM 0 H SER A 68 0.235 0.119 -10.107 1.00 72.21 H new ATOM 0 HA SER A 68 -2.104 -0.016 -11.654 1.00 44.45 H new ATOM 0 HB2 SER A 68 0.405 -1.749 -11.686 1.00 21.10 H new ATOM 0 HB3 SER A 68 -0.772 -1.655 -12.981 1.00 21.10 H new ATOM 0 HG SER A 68 1.032 -0.225 -13.328 1.00 55.31 H new ATOM 1092 N SER A 69 -1.848 -2.377 -9.476 1.00 30.42 N ATOM 1093 CA SER A 69 -2.541 -3.512 -8.894 1.00 45.40 C ATOM 1094 C SER A 69 -3.976 -3.145 -8.497 1.00 30.41 C ATOM 1095 O SER A 69 -4.778 -4.024 -8.199 1.00 71.31 O ATOM 1096 CB SER A 69 -1.782 -4.034 -7.676 1.00 10.14 C ATOM 1097 OG SER A 69 -0.452 -4.390 -8.012 1.00 23.53 O ATOM 0 H SER A 69 -1.107 -1.991 -8.891 1.00 30.42 H new ATOM 0 HA SER A 69 -2.586 -4.296 -9.650 1.00 45.40 H new ATOM 0 HB2 SER A 69 -1.771 -3.271 -6.897 1.00 10.14 H new ATOM 0 HB3 SER A 69 -2.300 -4.901 -7.266 1.00 10.14 H new ATOM 0 HG SER A 69 0.075 -3.578 -8.168 1.00 23.53 H new ATOM 1103 N ALA A 70 -4.292 -1.838 -8.496 1.00 51.14 N ATOM 1104 CA ALA A 70 -5.631 -1.347 -8.120 1.00 24.14 C ATOM 1105 C ALA A 70 -6.727 -2.036 -8.924 1.00 12.34 C ATOM 1106 O ALA A 70 -7.826 -2.274 -8.418 1.00 10.43 O ATOM 1107 CB ALA A 70 -5.718 0.158 -8.305 1.00 21.52 C ATOM 0 H ALA A 70 -3.636 -1.100 -8.752 1.00 51.14 H new ATOM 0 HA ALA A 70 -5.784 -1.587 -7.068 1.00 24.14 H new ATOM 0 HB1 ALA A 70 -6.713 0.502 -8.023 1.00 21.52 H new ATOM 0 HB2 ALA A 70 -4.973 0.646 -7.676 1.00 21.52 H new ATOM 0 HB3 ALA A 70 -5.530 0.408 -9.349 1.00 21.52 H new ATOM 1113 N LYS A 71 -6.411 -2.368 -10.174 1.00 32.45 N ATOM 1114 CA LYS A 71 -7.344 -3.066 -11.062 1.00 22.22 C ATOM 1115 C LYS A 71 -7.790 -4.396 -10.444 1.00 73.03 C ATOM 1116 O LYS A 71 -8.859 -4.920 -10.759 1.00 42.21 O ATOM 1117 CB LYS A 71 -6.674 -3.333 -12.420 1.00 65.53 C ATOM 1118 CG LYS A 71 -5.459 -4.248 -12.325 1.00 40.22 C ATOM 1119 CD LYS A 71 -4.865 -4.561 -13.687 1.00 74.32 C ATOM 1120 CE LYS A 71 -3.700 -5.529 -13.552 1.00 24.21 C ATOM 1121 NZ LYS A 71 -3.124 -5.909 -14.864 1.00 44.12 N ATOM 0 H LYS A 71 -5.507 -2.163 -10.600 1.00 32.45 H new ATOM 0 HA LYS A 71 -8.220 -2.433 -11.203 1.00 22.22 H new ATOM 0 HB2 LYS A 71 -7.404 -3.779 -13.096 1.00 65.53 H new ATOM 0 HB3 LYS A 71 -6.371 -2.383 -12.860 1.00 65.53 H new ATOM 0 HG2 LYS A 71 -4.700 -3.777 -11.700 1.00 40.22 H new ATOM 0 HG3 LYS A 71 -5.745 -5.178 -11.833 1.00 40.22 H new ATOM 0 HD2 LYS A 71 -5.630 -4.992 -14.333 1.00 74.32 H new ATOM 0 HD3 LYS A 71 -4.527 -3.640 -14.163 1.00 74.32 H new ATOM 0 HE2 LYS A 71 -2.924 -5.075 -12.936 1.00 24.21 H new ATOM 0 HE3 LYS A 71 -4.036 -6.426 -13.032 1.00 24.21 H new ATOM 0 HZ1 LYS A 71 -2.334 -6.569 -14.718 1.00 44.12 H new ATOM 0 HZ2 LYS A 71 -3.855 -6.367 -15.445 1.00 44.12 H new ATOM 0 HZ3 LYS A 71 -2.778 -5.058 -15.351 1.00 44.12 H new ATOM 1135 N ALA A 72 -6.962 -4.926 -9.562 1.00 0.42 N ATOM 1136 CA ALA A 72 -7.220 -6.189 -8.920 1.00 4.25 C ATOM 1137 C ALA A 72 -7.238 -6.033 -7.399 1.00 33.11 C ATOM 1138 O ALA A 72 -6.731 -6.889 -6.673 1.00 22.24 O ATOM 1139 CB ALA A 72 -6.167 -7.197 -9.343 1.00 24.44 C ATOM 0 H ALA A 72 -6.089 -4.485 -9.274 1.00 0.42 H new ATOM 0 HA ALA A 72 -8.202 -6.548 -9.228 1.00 4.25 H new ATOM 0 HB1 ALA A 72 -6.362 -8.153 -8.857 1.00 24.44 H new ATOM 0 HB2 ALA A 72 -6.201 -7.326 -10.425 1.00 24.44 H new ATOM 0 HB3 ALA A 72 -5.180 -6.837 -9.051 1.00 24.44 H new ATOM 1145 N ARG A 73 -7.814 -4.913 -6.928 1.00 65.34 N ATOM 1146 CA ARG A 73 -7.971 -4.634 -5.479 1.00 21.03 C ATOM 1147 C ARG A 73 -6.649 -4.300 -4.805 1.00 55.14 C ATOM 1148 O ARG A 73 -6.570 -4.250 -3.581 1.00 30.33 O ATOM 1149 CB ARG A 73 -8.643 -5.814 -4.744 1.00 3.51 C ATOM 1150 CG ARG A 73 -10.158 -5.871 -4.869 1.00 34.24 C ATOM 1151 CD ARG A 73 -10.612 -6.020 -6.303 1.00 5.45 C ATOM 1152 NE ARG A 73 -12.059 -6.160 -6.396 1.00 74.21 N ATOM 1153 CZ ARG A 73 -12.863 -5.317 -7.033 1.00 31.41 C ATOM 1154 NH1 ARG A 73 -12.380 -4.197 -7.556 1.00 33.04 N ATOM 1155 NH2 ARG A 73 -14.160 -5.580 -7.117 1.00 22.14 N ATOM 0 H ARG A 73 -8.183 -4.178 -7.531 1.00 65.34 H new ATOM 0 HA ARG A 73 -8.616 -3.758 -5.410 1.00 21.03 H new ATOM 0 HB2 ARG A 73 -8.227 -6.746 -5.127 1.00 3.51 H new ATOM 0 HB3 ARG A 73 -8.383 -5.760 -3.687 1.00 3.51 H new ATOM 0 HG2 ARG A 73 -10.537 -6.707 -4.282 1.00 34.24 H new ATOM 0 HG3 ARG A 73 -10.589 -4.963 -4.447 1.00 34.24 H new ATOM 0 HD2 ARG A 73 -10.292 -5.151 -6.878 1.00 5.45 H new ATOM 0 HD3 ARG A 73 -10.132 -6.892 -6.748 1.00 5.45 H new ATOM 0 HE ARG A 73 -12.486 -6.965 -5.938 1.00 74.21 H new ATOM 0 HH11 ARG A 73 -11.387 -3.981 -7.470 1.00 33.04 H new ATOM 0 HH12 ARG A 73 -13.002 -3.553 -8.044 1.00 33.04 H new ATOM 0 HH21 ARG A 73 -14.537 -6.428 -6.693 1.00 22.14 H new ATOM 0 HH22 ARG A 73 -14.781 -4.935 -7.606 1.00 22.14 H new ATOM 1169 N GLY A 74 -5.618 -4.066 -5.600 1.00 30.52 N ATOM 1170 CA GLY A 74 -4.310 -3.766 -5.048 1.00 24.03 C ATOM 1171 C GLY A 74 -3.671 -4.994 -4.443 1.00 5.42 C ATOM 1172 O GLY A 74 -2.653 -4.909 -3.754 1.00 12.13 O ATOM 0 H GLY A 74 -5.661 -4.078 -6.619 1.00 30.52 H new ATOM 0 HA2 GLY A 74 -3.666 -3.368 -5.832 1.00 24.03 H new ATOM 0 HA3 GLY A 74 -4.404 -2.991 -4.287 1.00 24.03 H new ATOM 1176 N ASP A 75 -4.262 -6.137 -4.719 1.00 15.54 N ATOM 1177 CA ASP A 75 -3.804 -7.394 -4.172 1.00 22.30 C ATOM 1178 C ASP A 75 -2.775 -8.042 -5.079 1.00 71.41 C ATOM 1179 O ASP A 75 -2.738 -7.782 -6.284 1.00 4.30 O ATOM 1180 CB ASP A 75 -4.993 -8.334 -3.961 1.00 20.43 C ATOM 1181 CG ASP A 75 -4.592 -9.661 -3.358 1.00 10.24 C ATOM 1182 OD1 ASP A 75 -4.204 -9.682 -2.173 1.00 24.52 O ATOM 1183 OD2 ASP A 75 -4.684 -10.693 -4.061 1.00 24.40 O ATOM 0 H ASP A 75 -5.075 -6.220 -5.330 1.00 15.54 H new ATOM 0 HA ASP A 75 -3.328 -7.197 -3.211 1.00 22.30 H new ATOM 0 HB2 ASP A 75 -5.722 -7.850 -3.311 1.00 20.43 H new ATOM 0 HB3 ASP A 75 -5.486 -8.509 -4.917 1.00 20.43 H new ATOM 1188 N LEU A 76 -1.939 -8.870 -4.492 1.00 52.41 N ATOM 1189 CA LEU A 76 -0.916 -9.589 -5.216 1.00 52.22 C ATOM 1190 C LEU A 76 -0.916 -11.036 -4.787 1.00 13.01 C ATOM 1191 O LEU A 76 -1.615 -11.414 -3.843 1.00 21.12 O ATOM 1192 CB LEU A 76 0.470 -8.991 -4.954 1.00 64.21 C ATOM 1193 CG LEU A 76 0.713 -7.574 -5.464 1.00 32.12 C ATOM 1194 CD1 LEU A 76 2.091 -7.101 -5.042 1.00 31.41 C ATOM 1195 CD2 LEU A 76 0.575 -7.519 -6.980 1.00 21.14 C ATOM 0 H LEU A 76 -1.951 -9.064 -3.491 1.00 52.41 H new ATOM 0 HA LEU A 76 -1.135 -9.510 -6.281 1.00 52.22 H new ATOM 0 HB2 LEU A 76 0.647 -9.000 -3.878 1.00 64.21 H new ATOM 0 HB3 LEU A 76 1.214 -9.647 -5.405 1.00 64.21 H new ATOM 0 HG LEU A 76 -0.036 -6.913 -5.029 1.00 32.12 H new ATOM 0 HD11 LEU A 76 2.257 -6.088 -5.410 1.00 31.41 H new ATOM 0 HD12 LEU A 76 2.161 -7.108 -3.954 1.00 31.41 H new ATOM 0 HD13 LEU A 76 2.847 -7.767 -5.458 1.00 31.41 H new ATOM 0 HD21 LEU A 76 0.752 -6.500 -7.325 1.00 21.14 H new ATOM 0 HD22 LEU A 76 1.304 -8.188 -7.436 1.00 21.14 H new ATOM 0 HD23 LEU A 76 -0.430 -7.829 -7.265 1.00 21.14 H new ATOM 1207 N GLY A 77 -0.153 -11.836 -5.481 1.00 21.41 N ATOM 1208 CA GLY A 77 -0.013 -13.222 -5.125 1.00 44.55 C ATOM 1209 C GLY A 77 1.292 -13.446 -4.408 1.00 34.01 C ATOM 1210 O GLY A 77 1.824 -12.520 -3.793 1.00 51.33 O ATOM 0 H GLY A 77 0.384 -11.550 -6.300 1.00 21.41 H new ATOM 0 HA2 GLY A 77 -0.843 -13.527 -4.488 1.00 44.55 H new ATOM 0 HA3 GLY A 77 -0.055 -13.841 -6.021 1.00 44.55 H new ATOM 1214 N ALA A 78 1.816 -14.650 -4.474 1.00 4.04 N ATOM 1215 CA ALA A 78 3.095 -14.933 -3.858 1.00 51.32 C ATOM 1216 C ALA A 78 4.203 -14.332 -4.707 1.00 51.14 C ATOM 1217 O ALA A 78 4.472 -14.799 -5.813 1.00 33.41 O ATOM 1218 CB ALA A 78 3.291 -16.434 -3.700 1.00 5.12 C ATOM 0 H ALA A 78 1.381 -15.444 -4.944 1.00 4.04 H new ATOM 0 HA ALA A 78 3.124 -14.487 -2.864 1.00 51.32 H new ATOM 0 HB1 ALA A 78 4.258 -16.628 -3.235 1.00 5.12 H new ATOM 0 HB2 ALA A 78 2.498 -16.840 -3.072 1.00 5.12 H new ATOM 0 HB3 ALA A 78 3.257 -16.910 -4.680 1.00 5.12 H new ATOM 1224 N PHE A 79 4.837 -13.300 -4.198 1.00 2.34 N ATOM 1225 CA PHE A 79 5.868 -12.610 -4.949 1.00 1.30 C ATOM 1226 C PHE A 79 7.218 -12.695 -4.263 1.00 54.14 C ATOM 1227 O PHE A 79 7.320 -13.109 -3.102 1.00 3.44 O ATOM 1228 CB PHE A 79 5.480 -11.136 -5.177 1.00 54.23 C ATOM 1229 CG PHE A 79 5.271 -10.345 -3.909 1.00 12.13 C ATOM 1230 CD1 PHE A 79 6.345 -9.764 -3.249 1.00 10.51 C ATOM 1231 CD2 PHE A 79 4.002 -10.182 -3.381 1.00 55.14 C ATOM 1232 CE1 PHE A 79 6.155 -9.042 -2.089 1.00 0.01 C ATOM 1233 CE2 PHE A 79 3.807 -9.460 -2.222 1.00 13.15 C ATOM 1234 CZ PHE A 79 4.884 -8.890 -1.574 1.00 13.10 C ATOM 0 H PHE A 79 4.659 -12.918 -3.269 1.00 2.34 H new ATOM 0 HA PHE A 79 5.953 -13.109 -5.915 1.00 1.30 H new ATOM 0 HB2 PHE A 79 6.260 -10.654 -5.767 1.00 54.23 H new ATOM 0 HB3 PHE A 79 4.565 -11.101 -5.768 1.00 54.23 H new ATOM 0 HD1 PHE A 79 7.342 -9.879 -3.649 1.00 10.51 H new ATOM 0 HD2 PHE A 79 3.154 -10.625 -3.882 1.00 55.14 H new ATOM 0 HE1 PHE A 79 7.000 -8.596 -1.585 1.00 0.01 H new ATOM 0 HE2 PHE A 79 2.811 -9.341 -1.821 1.00 13.15 H new ATOM 0 HZ PHE A 79 4.732 -8.326 -0.666 1.00 13.10 H new ATOM 1244 N SER A 80 8.245 -12.303 -4.988 1.00 4.30 N ATOM 1245 CA SER A 80 9.590 -12.278 -4.476 1.00 74.31 C ATOM 1246 C SER A 80 9.926 -10.871 -3.984 1.00 63.31 C ATOM 1247 O SER A 80 9.544 -9.874 -4.609 1.00 4.52 O ATOM 1248 CB SER A 80 10.560 -12.718 -5.567 1.00 21.11 C ATOM 1249 OG SER A 80 10.217 -14.009 -6.049 1.00 41.05 O ATOM 0 H SER A 80 8.164 -11.991 -5.956 1.00 4.30 H new ATOM 0 HA SER A 80 9.678 -12.967 -3.636 1.00 74.31 H new ATOM 0 HB2 SER A 80 10.542 -12.001 -6.388 1.00 21.11 H new ATOM 0 HB3 SER A 80 11.577 -12.729 -5.175 1.00 21.11 H new ATOM 0 HG SER A 80 10.849 -14.275 -6.750 1.00 41.05 H new ATOM 1255 N ARG A 81 10.640 -10.793 -2.873 1.00 11.41 N ATOM 1256 CA ARG A 81 10.964 -9.510 -2.251 1.00 51.22 C ATOM 1257 C ARG A 81 11.913 -8.676 -3.115 1.00 54.02 C ATOM 1258 O ARG A 81 11.870 -7.447 -3.085 1.00 62.14 O ATOM 1259 CB ARG A 81 11.576 -9.734 -0.867 1.00 2.23 C ATOM 1260 CG ARG A 81 12.935 -10.407 -0.894 1.00 45.41 C ATOM 1261 CD ARG A 81 13.477 -10.619 0.501 1.00 23.34 C ATOM 1262 NE ARG A 81 14.818 -11.193 0.477 1.00 30.32 N ATOM 1263 CZ ARG A 81 15.736 -10.991 1.420 1.00 2.24 C ATOM 1264 NH1 ARG A 81 15.444 -10.262 2.490 1.00 52.20 N ATOM 1265 NH2 ARG A 81 16.943 -11.527 1.302 1.00 63.11 N ATOM 0 H ARG A 81 11.010 -11.604 -2.378 1.00 11.41 H new ATOM 0 HA ARG A 81 10.033 -8.952 -2.152 1.00 51.22 H new ATOM 0 HB2 ARG A 81 11.668 -8.772 -0.362 1.00 2.23 H new ATOM 0 HB3 ARG A 81 10.893 -10.342 -0.273 1.00 2.23 H new ATOM 0 HG2 ARG A 81 12.857 -11.367 -1.405 1.00 45.41 H new ATOM 0 HG3 ARG A 81 13.633 -9.797 -1.468 1.00 45.41 H new ATOM 0 HD2 ARG A 81 13.498 -9.667 1.032 1.00 23.34 H new ATOM 0 HD3 ARG A 81 12.809 -11.278 1.055 1.00 23.34 H new ATOM 0 HE ARG A 81 15.068 -11.787 -0.313 1.00 30.32 H new ATOM 0 HH11 ARG A 81 14.514 -9.855 2.591 1.00 52.20 H new ATOM 0 HH12 ARG A 81 16.149 -10.109 3.211 1.00 52.20 H new ATOM 0 HH21 ARG A 81 17.171 -12.096 0.487 1.00 63.11 H new ATOM 0 HH22 ARG A 81 17.644 -11.370 2.026 1.00 63.11 H new ATOM 1279 N GLY A 82 12.746 -9.350 -3.900 1.00 22.31 N ATOM 1280 CA GLY A 82 13.723 -8.658 -4.722 1.00 15.43 C ATOM 1281 C GLY A 82 13.108 -7.913 -5.893 1.00 4.44 C ATOM 1282 O GLY A 82 13.814 -7.231 -6.637 1.00 64.33 O ATOM 0 H GLY A 82 12.762 -10.367 -3.982 1.00 22.31 H new ATOM 0 HA2 GLY A 82 14.274 -7.952 -4.101 1.00 15.43 H new ATOM 0 HA3 GLY A 82 14.446 -9.381 -5.100 1.00 15.43 H new ATOM 1286 N GLN A 83 11.804 -8.039 -6.062 1.00 4.43 N ATOM 1287 CA GLN A 83 11.108 -7.373 -7.153 1.00 62.31 C ATOM 1288 C GLN A 83 10.316 -6.178 -6.637 1.00 63.04 C ATOM 1289 O GLN A 83 9.470 -5.631 -7.340 1.00 20.21 O ATOM 1290 CB GLN A 83 10.171 -8.353 -7.866 1.00 72.21 C ATOM 1291 CG GLN A 83 10.875 -9.562 -8.463 1.00 14.10 C ATOM 1292 CD GLN A 83 11.962 -9.181 -9.452 1.00 30.14 C ATOM 1293 OE1 GLN A 83 13.128 -9.014 -9.082 1.00 22.12 O ATOM 1294 NE2 GLN A 83 11.593 -9.043 -10.708 1.00 2.13 N ATOM 0 H GLN A 83 11.202 -8.598 -5.457 1.00 4.43 H new ATOM 0 HA GLN A 83 11.853 -7.016 -7.864 1.00 62.31 H new ATOM 0 HB2 GLN A 83 9.417 -8.698 -7.159 1.00 72.21 H new ATOM 0 HB3 GLN A 83 9.645 -7.823 -8.660 1.00 72.21 H new ATOM 0 HG2 GLN A 83 11.313 -10.155 -7.660 1.00 14.10 H new ATOM 0 HG3 GLN A 83 10.141 -10.194 -8.963 1.00 14.10 H new ATOM 0 HE21 GLN A 83 10.619 -9.190 -10.972 1.00 2.13 H new ATOM 0 HE22 GLN A 83 12.281 -8.789 -11.417 1.00 2.13 H new ATOM 1303 N MET A 84 10.599 -5.775 -5.410 1.00 1.33 N ATOM 1304 CA MET A 84 9.901 -4.658 -4.789 1.00 43.33 C ATOM 1305 C MET A 84 10.894 -3.678 -4.191 1.00 1.21 C ATOM 1306 O MET A 84 12.086 -3.971 -4.116 1.00 30.33 O ATOM 1307 CB MET A 84 8.958 -5.166 -3.697 1.00 15.35 C ATOM 1308 CG MET A 84 7.848 -6.067 -4.208 1.00 35.43 C ATOM 1309 SD MET A 84 6.729 -5.219 -5.338 1.00 64.54 S ATOM 1310 CE MET A 84 5.618 -6.555 -5.762 1.00 35.21 C ATOM 0 H MET A 84 11.311 -6.206 -4.820 1.00 1.33 H new ATOM 0 HA MET A 84 9.319 -4.147 -5.556 1.00 43.33 H new ATOM 0 HB2 MET A 84 9.540 -5.710 -2.953 1.00 15.35 H new ATOM 0 HB3 MET A 84 8.513 -4.310 -3.189 1.00 15.35 H new ATOM 0 HG2 MET A 84 8.287 -6.926 -4.715 1.00 35.43 H new ATOM 0 HG3 MET A 84 7.280 -6.452 -3.361 1.00 35.43 H new ATOM 0 HE1 MET A 84 4.862 -6.192 -6.458 1.00 35.21 H new ATOM 0 HE2 MET A 84 6.182 -7.363 -6.227 1.00 35.21 H new ATOM 0 HE3 MET A 84 5.132 -6.925 -4.859 1.00 35.21 H new ATOM 1320 N GLN A 85 10.400 -2.509 -3.775 1.00 1.22 N ATOM 1321 CA GLN A 85 11.243 -1.496 -3.135 1.00 14.31 C ATOM 1322 C GLN A 85 11.858 -2.071 -1.865 1.00 60.41 C ATOM 1323 O GLN A 85 11.258 -2.917 -1.228 1.00 34.35 O ATOM 1324 CB GLN A 85 10.416 -0.249 -2.787 1.00 41.24 C ATOM 1325 CG GLN A 85 9.771 0.431 -3.986 1.00 70.32 C ATOM 1326 CD GLN A 85 10.787 0.955 -4.978 1.00 61.53 C ATOM 1327 OE1 GLN A 85 11.190 0.252 -5.899 1.00 24.33 O ATOM 1328 NE2 GLN A 85 11.209 2.190 -4.795 1.00 11.41 N ATOM 0 H GLN A 85 9.421 -2.241 -3.870 1.00 1.22 H new ATOM 0 HA GLN A 85 12.034 -1.210 -3.829 1.00 14.31 H new ATOM 0 HB2 GLN A 85 9.635 -0.531 -2.081 1.00 41.24 H new ATOM 0 HB3 GLN A 85 11.060 0.469 -2.280 1.00 41.24 H new ATOM 0 HG2 GLN A 85 9.111 -0.276 -4.488 1.00 70.32 H new ATOM 0 HG3 GLN A 85 9.149 1.256 -3.639 1.00 70.32 H new ATOM 0 HE21 GLN A 85 10.849 2.742 -4.016 1.00 11.41 H new ATOM 0 HE22 GLN A 85 11.896 2.594 -5.432 1.00 11.41 H new ATOM 1337 N LYS A 86 13.037 -1.600 -1.496 1.00 42.13 N ATOM 1338 CA LYS A 86 13.742 -2.115 -0.313 1.00 1.50 C ATOM 1339 C LYS A 86 12.903 -2.057 0.984 1.00 42.22 C ATOM 1340 O LYS A 86 12.860 -3.046 1.720 1.00 72.24 O ATOM 1341 CB LYS A 86 15.110 -1.446 -0.138 1.00 21.44 C ATOM 1342 CG LYS A 86 16.079 -1.752 -1.274 1.00 34.24 C ATOM 1343 CD LYS A 86 16.323 -3.249 -1.401 1.00 15.13 C ATOM 1344 CE LYS A 86 17.129 -3.584 -2.639 1.00 13.32 C ATOM 1345 NZ LYS A 86 17.262 -5.049 -2.821 1.00 43.25 N ATOM 0 H LYS A 86 13.534 -0.861 -1.993 1.00 42.13 H new ATOM 0 HA LYS A 86 13.909 -3.175 -0.504 1.00 1.50 H new ATOM 0 HB2 LYS A 86 14.973 -0.367 -0.067 1.00 21.44 H new ATOM 0 HB3 LYS A 86 15.550 -1.774 0.804 1.00 21.44 H new ATOM 0 HG2 LYS A 86 15.679 -1.365 -2.211 1.00 34.24 H new ATOM 0 HG3 LYS A 86 17.025 -1.240 -1.096 1.00 34.24 H new ATOM 0 HD2 LYS A 86 16.849 -3.608 -0.516 1.00 15.13 H new ATOM 0 HD3 LYS A 86 15.367 -3.771 -1.437 1.00 15.13 H new ATOM 0 HE2 LYS A 86 16.649 -3.150 -3.516 1.00 13.32 H new ATOM 0 HE3 LYS A 86 18.119 -3.134 -2.562 1.00 13.32 H new ATOM 0 HZ1 LYS A 86 17.456 -5.258 -3.821 1.00 43.25 H new ATOM 0 HZ2 LYS A 86 18.045 -5.402 -2.235 1.00 43.25 H new ATOM 0 HZ3 LYS A 86 16.378 -5.516 -2.535 1.00 43.25 H new ATOM 1359 N PRO A 87 12.229 -0.915 1.303 1.00 3.34 N ATOM 1360 CA PRO A 87 11.351 -0.845 2.481 1.00 4.14 C ATOM 1361 C PRO A 87 10.243 -1.904 2.407 1.00 24.34 C ATOM 1362 O PRO A 87 9.883 -2.524 3.407 1.00 22.12 O ATOM 1363 CB PRO A 87 10.746 0.564 2.400 1.00 62.14 C ATOM 1364 CG PRO A 87 11.712 1.347 1.580 1.00 11.03 C ATOM 1365 CD PRO A 87 12.297 0.381 0.593 1.00 54.31 C ATOM 0 HA PRO A 87 11.887 -1.031 3.412 1.00 4.14 H new ATOM 0 HB2 PRO A 87 9.759 0.545 1.937 1.00 62.14 H new ATOM 0 HB3 PRO A 87 10.625 1.000 3.392 1.00 62.14 H new ATOM 0 HG2 PRO A 87 11.213 2.171 1.070 1.00 11.03 H new ATOM 0 HG3 PRO A 87 12.490 1.784 2.206 1.00 11.03 H new ATOM 0 HD2 PRO A 87 11.727 0.361 -0.336 1.00 54.31 H new ATOM 0 HD3 PRO A 87 13.322 0.644 0.333 1.00 54.31 H new ATOM 1373 N PHE A 88 9.737 -2.117 1.199 1.00 62.34 N ATOM 1374 CA PHE A 88 8.680 -3.091 0.940 1.00 42.42 C ATOM 1375 C PHE A 88 9.249 -4.512 1.070 1.00 65.11 C ATOM 1376 O PHE A 88 8.622 -5.404 1.651 1.00 15.43 O ATOM 1377 CB PHE A 88 8.135 -2.861 -0.483 1.00 5.25 C ATOM 1378 CG PHE A 88 6.822 -3.529 -0.786 1.00 64.52 C ATOM 1379 CD1 PHE A 88 6.754 -4.887 -1.036 1.00 74.11 C ATOM 1380 CD2 PHE A 88 5.655 -2.787 -0.834 1.00 61.22 C ATOM 1381 CE1 PHE A 88 5.548 -5.493 -1.325 1.00 3.24 C ATOM 1382 CE2 PHE A 88 4.448 -3.386 -1.124 1.00 53.14 C ATOM 1383 CZ PHE A 88 4.394 -4.742 -1.369 1.00 31.42 C ATOM 0 H PHE A 88 10.049 -1.617 0.366 1.00 62.34 H new ATOM 0 HA PHE A 88 7.872 -2.972 1.662 1.00 42.42 H new ATOM 0 HB2 PHE A 88 8.023 -1.788 -0.642 1.00 5.25 H new ATOM 0 HB3 PHE A 88 8.877 -3.214 -1.199 1.00 5.25 H new ATOM 0 HD1 PHE A 88 7.655 -5.481 -1.005 1.00 74.11 H new ATOM 0 HD2 PHE A 88 5.690 -1.725 -0.642 1.00 61.22 H new ATOM 0 HE1 PHE A 88 5.509 -6.555 -1.516 1.00 3.24 H new ATOM 0 HE2 PHE A 88 3.545 -2.794 -1.159 1.00 53.14 H new ATOM 0 HZ PHE A 88 3.449 -5.214 -1.595 1.00 31.42 H new ATOM 1393 N GLU A 89 10.449 -4.681 0.530 1.00 25.21 N ATOM 1394 CA GLU A 89 11.196 -5.939 0.541 1.00 50.11 C ATOM 1395 C GLU A 89 11.328 -6.496 1.963 1.00 11.24 C ATOM 1396 O GLU A 89 11.212 -7.704 2.186 1.00 63.44 O ATOM 1397 CB GLU A 89 12.598 -5.676 -0.055 1.00 42.00 C ATOM 1398 CG GLU A 89 13.534 -6.875 -0.088 1.00 42.50 C ATOM 1399 CD GLU A 89 14.950 -6.493 -0.493 1.00 30.22 C ATOM 1400 OE1 GLU A 89 15.759 -6.158 0.403 1.00 2.32 O ATOM 1401 OE2 GLU A 89 15.263 -6.522 -1.706 1.00 72.53 O ATOM 0 H GLU A 89 10.947 -3.926 0.058 1.00 25.21 H new ATOM 0 HA GLU A 89 10.660 -6.679 -0.053 1.00 50.11 H new ATOM 0 HB2 GLU A 89 12.477 -5.304 -1.072 1.00 42.00 H new ATOM 0 HB3 GLU A 89 13.074 -4.882 0.520 1.00 42.00 H new ATOM 0 HG2 GLU A 89 13.554 -7.344 0.896 1.00 42.50 H new ATOM 0 HG3 GLU A 89 13.146 -7.616 -0.787 1.00 42.50 H new ATOM 1408 N ASP A 90 11.553 -5.611 2.915 1.00 5.50 N ATOM 1409 CA ASP A 90 11.761 -6.011 4.301 1.00 5.33 C ATOM 1410 C ASP A 90 10.445 -6.092 5.087 1.00 43.13 C ATOM 1411 O ASP A 90 10.183 -7.086 5.769 1.00 55.11 O ATOM 1412 CB ASP A 90 12.720 -5.035 4.986 1.00 45.14 C ATOM 1413 CG ASP A 90 13.131 -5.486 6.373 1.00 13.52 C ATOM 1414 OD1 ASP A 90 14.145 -6.210 6.491 1.00 71.13 O ATOM 1415 OD2 ASP A 90 12.453 -5.111 7.352 1.00 20.42 O ATOM 0 H ASP A 90 11.597 -4.604 2.757 1.00 5.50 H new ATOM 0 HA ASP A 90 12.195 -7.011 4.291 1.00 5.33 H new ATOM 0 HB2 ASP A 90 13.611 -4.916 4.369 1.00 45.14 H new ATOM 0 HB3 ASP A 90 12.246 -4.056 5.054 1.00 45.14 H new ATOM 1420 N ALA A 91 9.618 -5.057 4.966 1.00 71.52 N ATOM 1421 CA ALA A 91 8.368 -4.954 5.737 1.00 34.05 C ATOM 1422 C ALA A 91 7.397 -6.112 5.480 1.00 51.35 C ATOM 1423 O ALA A 91 6.794 -6.633 6.416 1.00 71.43 O ATOM 1424 CB ALA A 91 7.685 -3.624 5.461 1.00 1.10 C ATOM 0 H ALA A 91 9.787 -4.270 4.339 1.00 71.52 H new ATOM 0 HA ALA A 91 8.649 -5.014 6.788 1.00 34.05 H new ATOM 0 HB1 ALA A 91 6.762 -3.562 6.038 1.00 1.10 H new ATOM 0 HB2 ALA A 91 8.348 -2.808 5.748 1.00 1.10 H new ATOM 0 HB3 ALA A 91 7.454 -3.547 4.398 1.00 1.10 H new ATOM 1430 N SER A 92 7.260 -6.518 4.226 1.00 62.43 N ATOM 1431 CA SER A 92 6.310 -7.575 3.851 1.00 3.31 C ATOM 1432 C SER A 92 6.590 -8.897 4.586 1.00 53.51 C ATOM 1433 O SER A 92 5.669 -9.667 4.884 1.00 15.34 O ATOM 1434 CB SER A 92 6.348 -7.792 2.342 1.00 11.13 C ATOM 1435 OG SER A 92 6.166 -6.566 1.658 1.00 43.43 O ATOM 0 H SER A 92 7.792 -6.136 3.444 1.00 62.43 H new ATOM 0 HA SER A 92 5.315 -7.246 4.150 1.00 3.31 H new ATOM 0 HB2 SER A 92 7.302 -8.236 2.057 1.00 11.13 H new ATOM 0 HB3 SER A 92 5.569 -8.496 2.051 1.00 11.13 H new ATOM 0 HG SER A 92 7.038 -6.152 1.490 1.00 43.43 H new ATOM 1441 N PHE A 93 7.851 -9.143 4.898 1.00 4.33 N ATOM 1442 CA PHE A 93 8.241 -10.376 5.566 1.00 44.45 C ATOM 1443 C PHE A 93 8.210 -10.222 7.083 1.00 40.14 C ATOM 1444 O PHE A 93 8.371 -11.194 7.819 1.00 62.21 O ATOM 1445 CB PHE A 93 9.627 -10.832 5.092 1.00 3.22 C ATOM 1446 CG PHE A 93 9.639 -11.342 3.670 1.00 73.43 C ATOM 1447 CD1 PHE A 93 9.348 -10.497 2.612 1.00 52.54 C ATOM 1448 CD2 PHE A 93 9.933 -12.669 3.397 1.00 62.33 C ATOM 1449 CE1 PHE A 93 9.350 -10.962 1.315 1.00 70.24 C ATOM 1450 CE2 PHE A 93 9.937 -13.139 2.098 1.00 33.53 C ATOM 1451 CZ PHE A 93 9.645 -12.285 1.056 1.00 3.51 C ATOM 0 H PHE A 93 8.623 -8.506 4.700 1.00 4.33 H new ATOM 0 HA PHE A 93 7.515 -11.144 5.298 1.00 44.45 H new ATOM 0 HB2 PHE A 93 10.324 -9.998 5.177 1.00 3.22 H new ATOM 0 HB3 PHE A 93 9.989 -11.618 5.755 1.00 3.22 H new ATOM 0 HD1 PHE A 93 9.117 -9.460 2.806 1.00 52.54 H new ATOM 0 HD2 PHE A 93 10.162 -13.343 4.209 1.00 62.33 H new ATOM 0 HE1 PHE A 93 9.121 -10.291 0.501 1.00 70.24 H new ATOM 0 HE2 PHE A 93 10.169 -14.175 1.899 1.00 33.53 H new ATOM 0 HZ PHE A 93 9.647 -12.650 0.040 1.00 3.51 H new ATOM 1461 N ALA A 94 7.978 -9.003 7.544 1.00 12.51 N ATOM 1462 CA ALA A 94 7.914 -8.723 8.972 1.00 13.45 C ATOM 1463 C ALA A 94 6.466 -8.617 9.431 1.00 50.25 C ATOM 1464 O ALA A 94 6.184 -8.285 10.586 1.00 75.54 O ATOM 1465 CB ALA A 94 8.667 -7.441 9.294 1.00 24.23 C ATOM 0 H ALA A 94 7.830 -8.188 6.948 1.00 12.51 H new ATOM 0 HA ALA A 94 8.386 -9.547 9.507 1.00 13.45 H new ATOM 0 HB1 ALA A 94 8.610 -7.245 10.365 1.00 24.23 H new ATOM 0 HB2 ALA A 94 9.711 -7.548 9.000 1.00 24.23 H new ATOM 0 HB3 ALA A 94 8.220 -6.610 8.749 1.00 24.23 H new ATOM 1471 N LEU A 95 5.551 -8.895 8.522 1.00 34.44 N ATOM 1472 CA LEU A 95 4.134 -8.835 8.821 1.00 74.14 C ATOM 1473 C LEU A 95 3.563 -10.229 8.997 1.00 31.10 C ATOM 1474 O LEU A 95 3.870 -11.136 8.219 1.00 24.30 O ATOM 1475 CB LEU A 95 3.378 -8.121 7.700 1.00 40.44 C ATOM 1476 CG LEU A 95 3.784 -6.676 7.425 1.00 23.02 C ATOM 1477 CD1 LEU A 95 2.992 -6.123 6.256 1.00 31.32 C ATOM 1478 CD2 LEU A 95 3.581 -5.816 8.664 1.00 64.44 C ATOM 0 H LEU A 95 5.767 -9.167 7.563 1.00 34.44 H new ATOM 0 HA LEU A 95 4.014 -8.278 9.750 1.00 74.14 H new ATOM 0 HB2 LEU A 95 3.507 -8.693 6.781 1.00 40.44 H new ATOM 0 HB3 LEU A 95 2.315 -8.138 7.939 1.00 40.44 H new ATOM 0 HG LEU A 95 4.843 -6.656 7.168 1.00 23.02 H new ATOM 0 HD11 LEU A 95 3.291 -5.091 6.070 1.00 31.32 H new ATOM 0 HD12 LEU A 95 3.187 -6.723 5.368 1.00 31.32 H new ATOM 0 HD13 LEU A 95 1.928 -6.156 6.489 1.00 31.32 H new ATOM 0 HD21 LEU A 95 3.876 -4.790 8.447 1.00 64.44 H new ATOM 0 HD22 LEU A 95 2.530 -5.838 8.954 1.00 64.44 H new ATOM 0 HD23 LEU A 95 4.191 -6.204 9.480 1.00 64.44 H new ATOM 1490 N ARG A 96 2.756 -10.406 10.026 1.00 45.02 N ATOM 1491 CA ARG A 96 2.075 -11.664 10.248 1.00 43.23 C ATOM 1492 C ARG A 96 0.753 -11.648 9.499 1.00 40.32 C ATOM 1493 O ARG A 96 0.249 -10.578 9.159 1.00 22.54 O ATOM 1494 CB ARG A 96 1.826 -11.907 11.745 1.00 30.02 C ATOM 1495 CG ARG A 96 0.947 -10.858 12.408 1.00 54.31 C ATOM 1496 CD ARG A 96 0.493 -11.299 13.790 1.00 5.15 C ATOM 1497 NE ARG A 96 -0.366 -12.488 13.731 1.00 60.42 N ATOM 1498 CZ ARG A 96 -1.470 -12.667 14.469 1.00 72.14 C ATOM 1499 NH1 ARG A 96 -1.829 -11.757 15.376 1.00 43.12 N ATOM 1500 NH2 ARG A 96 -2.199 -13.767 14.310 1.00 50.31 N ATOM 0 H ARG A 96 2.556 -9.689 10.724 1.00 45.02 H new ATOM 0 HA ARG A 96 2.705 -12.474 9.880 1.00 43.23 H new ATOM 0 HB2 ARG A 96 1.363 -12.886 11.871 1.00 30.02 H new ATOM 0 HB3 ARG A 96 2.786 -11.940 12.261 1.00 30.02 H new ATOM 0 HG2 ARG A 96 1.496 -9.920 12.487 1.00 54.31 H new ATOM 0 HG3 ARG A 96 0.075 -10.665 11.783 1.00 54.31 H new ATOM 0 HD2 ARG A 96 1.365 -11.512 14.408 1.00 5.15 H new ATOM 0 HD3 ARG A 96 -0.048 -10.484 14.272 1.00 5.15 H new ATOM 0 HE ARG A 96 -0.104 -13.230 13.082 1.00 60.42 H new ATOM 0 HH11 ARG A 96 -1.262 -10.920 15.510 1.00 43.12 H new ATOM 0 HH12 ARG A 96 -2.670 -11.898 15.935 1.00 43.12 H new ATOM 0 HH21 ARG A 96 -1.917 -14.471 13.628 1.00 50.31 H new ATOM 0 HH22 ARG A 96 -3.040 -13.907 14.870 1.00 50.31 H new ATOM 1514 N THR A 97 0.205 -12.814 9.235 1.00 3.24 N ATOM 1515 CA THR A 97 -1.053 -12.928 8.517 1.00 13.35 C ATOM 1516 C THR A 97 -2.161 -12.144 9.223 1.00 71.31 C ATOM 1517 O THR A 97 -2.521 -12.446 10.364 1.00 41.43 O ATOM 1518 CB THR A 97 -1.472 -14.397 8.387 1.00 41.21 C ATOM 1519 OG1 THR A 97 -0.359 -15.166 7.904 1.00 65.14 O ATOM 1520 CG2 THR A 97 -2.644 -14.539 7.425 1.00 3.30 C ATOM 0 H THR A 97 0.614 -13.708 9.509 1.00 3.24 H new ATOM 0 HA THR A 97 -0.903 -12.508 7.522 1.00 13.35 H new ATOM 0 HB THR A 97 -1.781 -14.762 9.366 1.00 41.21 H new ATOM 0 HG1 THR A 97 -0.558 -15.500 7.004 1.00 65.14 H new ATOM 0 HG21 THR A 97 -2.926 -15.589 7.347 1.00 3.30 H new ATOM 0 HG22 THR A 97 -3.491 -13.963 7.796 1.00 3.30 H new ATOM 0 HG23 THR A 97 -2.355 -14.167 6.442 1.00 3.30 H new ATOM 1528 N GLY A 98 -2.682 -11.134 8.545 1.00 73.54 N ATOM 1529 CA GLY A 98 -3.725 -10.316 9.118 1.00 32.10 C ATOM 1530 C GLY A 98 -3.215 -8.959 9.553 1.00 65.22 C ATOM 1531 O GLY A 98 -3.999 -8.045 9.811 1.00 12.44 O ATOM 0 H GLY A 98 -2.398 -10.866 7.603 1.00 73.54 H new ATOM 0 HA2 GLY A 98 -4.524 -10.185 8.388 1.00 32.10 H new ATOM 0 HA3 GLY A 98 -4.158 -10.831 9.975 1.00 32.10 H new ATOM 1535 N GLU A 99 -1.903 -8.822 9.629 1.00 13.04 N ATOM 1536 CA GLU A 99 -1.293 -7.573 10.042 1.00 61.21 C ATOM 1537 C GLU A 99 -1.020 -6.684 8.831 1.00 33.23 C ATOM 1538 O GLU A 99 -0.869 -7.172 7.702 1.00 11.43 O ATOM 1539 CB GLU A 99 0.005 -7.843 10.824 1.00 62.30 C ATOM 1540 CG GLU A 99 0.682 -6.594 11.382 1.00 74.02 C ATOM 1541 CD GLU A 99 -0.218 -5.801 12.309 1.00 14.11 C ATOM 1542 OE1 GLU A 99 -0.979 -4.936 11.814 1.00 35.33 O ATOM 1543 OE2 GLU A 99 -0.167 -6.030 13.533 1.00 1.31 O ATOM 0 H GLU A 99 -1.238 -9.564 9.409 1.00 13.04 H new ATOM 0 HA GLU A 99 -1.987 -7.049 10.699 1.00 61.21 H new ATOM 0 HB2 GLU A 99 -0.218 -8.519 11.649 1.00 62.30 H new ATOM 0 HB3 GLU A 99 0.707 -8.359 10.170 1.00 62.30 H new ATOM 0 HG2 GLU A 99 1.584 -6.885 11.920 1.00 74.02 H new ATOM 0 HG3 GLU A 99 0.996 -5.957 10.555 1.00 74.02 H new ATOM 1550 N MET A 100 -0.965 -5.393 9.073 1.00 75.12 N ATOM 1551 CA MET A 100 -0.725 -4.418 8.037 1.00 11.24 C ATOM 1552 C MET A 100 0.398 -3.483 8.469 1.00 31.43 C ATOM 1553 O MET A 100 0.451 -3.068 9.629 1.00 61.25 O ATOM 1554 CB MET A 100 -2.009 -3.630 7.771 1.00 13.42 C ATOM 1555 CG MET A 100 -1.910 -2.627 6.638 1.00 73.33 C ATOM 1556 SD MET A 100 -3.482 -1.811 6.301 1.00 62.44 S ATOM 1557 CE MET A 100 -3.782 -0.983 7.858 1.00 22.24 C ATOM 0 H MET A 100 -1.087 -4.989 10.002 1.00 75.12 H new ATOM 0 HA MET A 100 -0.426 -4.921 7.117 1.00 11.24 H new ATOM 0 HB2 MET A 100 -2.812 -4.333 7.548 1.00 13.42 H new ATOM 0 HB3 MET A 100 -2.292 -3.103 8.682 1.00 13.42 H new ATOM 0 HG2 MET A 100 -1.160 -1.876 6.886 1.00 73.33 H new ATOM 0 HG3 MET A 100 -1.567 -3.134 5.736 1.00 73.33 H new ATOM 0 HE1 MET A 100 -4.813 -0.630 7.890 1.00 22.24 H new ATOM 0 HE2 MET A 100 -3.611 -1.679 8.679 1.00 22.24 H new ATOM 0 HE3 MET A 100 -3.105 -0.134 7.955 1.00 22.24 H new ATOM 1567 N SER A 101 1.292 -3.161 7.548 1.00 22.02 N ATOM 1568 CA SER A 101 2.422 -2.297 7.857 1.00 32.31 C ATOM 1569 C SER A 101 1.963 -0.871 8.119 1.00 11.24 C ATOM 1570 O SER A 101 2.367 -0.245 9.098 1.00 41.11 O ATOM 1571 CB SER A 101 3.437 -2.322 6.713 1.00 4.11 C ATOM 1572 OG SER A 101 2.818 -2.012 5.473 1.00 23.25 O ATOM 0 H SER A 101 1.258 -3.484 6.581 1.00 22.02 H new ATOM 0 HA SER A 101 2.898 -2.674 8.762 1.00 32.31 H new ATOM 0 HB2 SER A 101 4.234 -1.606 6.914 1.00 4.11 H new ATOM 0 HB3 SER A 101 3.900 -3.307 6.655 1.00 4.11 H new ATOM 0 HG SER A 101 2.721 -1.040 5.390 1.00 23.25 H new ATOM 1578 N GLY A 102 1.113 -0.369 7.249 1.00 54.12 N ATOM 1579 CA GLY A 102 0.628 0.973 7.392 1.00 55.00 C ATOM 1580 C GLY A 102 1.304 1.912 6.422 1.00 0.14 C ATOM 1581 O GLY A 102 1.263 1.683 5.218 1.00 41.35 O ATOM 0 H GLY A 102 0.749 -0.873 6.441 1.00 54.12 H new ATOM 0 HA2 GLY A 102 -0.449 0.991 7.227 1.00 55.00 H new ATOM 0 HA3 GLY A 102 0.800 1.316 8.412 1.00 55.00 H new ATOM 1585 N PRO A 103 1.955 2.971 6.916 1.00 41.40 N ATOM 1586 CA PRO A 103 2.614 3.943 6.070 1.00 34.11 C ATOM 1587 C PRO A 103 4.056 3.561 5.708 1.00 34.41 C ATOM 1588 O PRO A 103 4.987 3.771 6.493 1.00 4.21 O ATOM 1589 CB PRO A 103 2.590 5.210 6.924 1.00 15.30 C ATOM 1590 CG PRO A 103 2.624 4.724 8.343 1.00 31.20 C ATOM 1591 CD PRO A 103 2.091 3.305 8.345 1.00 23.34 C ATOM 0 HA PRO A 103 2.116 4.040 5.105 1.00 34.11 H new ATOM 0 HB2 PRO A 103 3.445 5.849 6.705 1.00 15.30 H new ATOM 0 HB3 PRO A 103 1.694 5.799 6.730 1.00 15.30 H new ATOM 0 HG2 PRO A 103 3.641 4.753 8.735 1.00 31.20 H new ATOM 0 HG3 PRO A 103 2.017 5.364 8.983 1.00 31.20 H new ATOM 0 HD2 PRO A 103 2.775 2.623 8.851 1.00 23.34 H new ATOM 0 HD3 PRO A 103 1.134 3.239 8.863 1.00 23.34 H new ATOM 1599 N VAL A 104 4.226 2.976 4.535 1.00 5.40 N ATOM 1600 CA VAL A 104 5.549 2.649 4.027 1.00 21.21 C ATOM 1601 C VAL A 104 6.003 3.757 3.086 1.00 4.22 C ATOM 1602 O VAL A 104 5.512 3.872 1.958 1.00 25.23 O ATOM 1603 CB VAL A 104 5.566 1.290 3.284 1.00 72.45 C ATOM 1604 CG1 VAL A 104 6.958 0.980 2.747 1.00 35.51 C ATOM 1605 CG2 VAL A 104 5.089 0.178 4.203 1.00 2.34 C ATOM 0 H VAL A 104 3.461 2.716 3.913 1.00 5.40 H new ATOM 0 HA VAL A 104 6.229 2.564 4.874 1.00 21.21 H new ATOM 0 HB VAL A 104 4.884 1.357 2.436 1.00 72.45 H new ATOM 0 HG11 VAL A 104 6.943 0.021 2.230 1.00 35.51 H new ATOM 0 HG12 VAL A 104 7.262 1.762 2.052 1.00 35.51 H new ATOM 0 HG13 VAL A 104 7.666 0.935 3.575 1.00 35.51 H new ATOM 0 HG21 VAL A 104 5.107 -0.770 3.666 1.00 2.34 H new ATOM 0 HG22 VAL A 104 5.746 0.116 5.071 1.00 2.34 H new ATOM 0 HG23 VAL A 104 4.072 0.389 4.532 1.00 2.34 H new ATOM 1615 N PHE A 105 6.919 4.573 3.556 1.00 42.23 N ATOM 1616 CA PHE A 105 7.372 5.736 2.810 1.00 21.40 C ATOM 1617 C PHE A 105 8.312 5.362 1.667 1.00 75.24 C ATOM 1618 O PHE A 105 9.237 4.564 1.837 1.00 72.11 O ATOM 1619 CB PHE A 105 8.053 6.731 3.748 1.00 15.53 C ATOM 1620 CG PHE A 105 7.159 7.239 4.846 1.00 41.32 C ATOM 1621 CD1 PHE A 105 6.327 8.326 4.633 1.00 51.14 C ATOM 1622 CD2 PHE A 105 7.151 6.628 6.091 1.00 4.14 C ATOM 1623 CE1 PHE A 105 5.504 8.794 5.640 1.00 64.24 C ATOM 1624 CE2 PHE A 105 6.331 7.092 7.101 1.00 14.11 C ATOM 1625 CZ PHE A 105 5.506 8.176 6.875 1.00 65.51 C ATOM 0 H PHE A 105 7.372 4.454 4.462 1.00 42.23 H new ATOM 0 HA PHE A 105 6.491 6.198 2.366 1.00 21.40 H new ATOM 0 HB2 PHE A 105 8.927 6.256 4.194 1.00 15.53 H new ATOM 0 HB3 PHE A 105 8.414 7.578 3.164 1.00 15.53 H new ATOM 0 HD1 PHE A 105 6.321 8.813 3.669 1.00 51.14 H new ATOM 0 HD2 PHE A 105 7.794 5.779 6.273 1.00 4.14 H new ATOM 0 HE1 PHE A 105 4.860 9.642 5.461 1.00 64.24 H new ATOM 0 HE2 PHE A 105 6.335 6.608 8.066 1.00 14.11 H new ATOM 0 HZ PHE A 105 4.863 8.540 7.663 1.00 65.51 H new ATOM 1635 N THR A 106 8.062 5.947 0.502 1.00 45.23 N ATOM 1636 CA THR A 106 8.887 5.732 -0.675 1.00 44.35 C ATOM 1637 C THR A 106 9.075 7.049 -1.437 1.00 10.24 C ATOM 1638 O THR A 106 8.687 8.114 -0.951 1.00 22.42 O ATOM 1639 CB THR A 106 8.274 4.668 -1.619 1.00 50.01 C ATOM 1640 OG1 THR A 106 6.890 4.951 -1.847 1.00 4.45 O ATOM 1641 CG2 THR A 106 8.425 3.265 -1.043 1.00 24.33 C ATOM 0 H THR A 106 7.280 6.584 0.349 1.00 45.23 H new ATOM 0 HA THR A 106 9.854 5.364 -0.334 1.00 44.35 H new ATOM 0 HB THR A 106 8.814 4.709 -2.565 1.00 50.01 H new ATOM 0 HG1 THR A 106 6.399 4.111 -1.963 1.00 4.45 H new ATOM 0 HG21 THR A 106 7.985 2.541 -1.729 1.00 24.33 H new ATOM 0 HG22 THR A 106 9.483 3.040 -0.907 1.00 24.33 H new ATOM 0 HG23 THR A 106 7.915 3.210 -0.081 1.00 24.33 H new ATOM 1649 N ASP A 107 9.651 6.971 -2.628 1.00 42.43 N ATOM 1650 CA ASP A 107 9.928 8.160 -3.439 1.00 51.31 C ATOM 1651 C ASP A 107 8.698 8.612 -4.217 1.00 50.33 C ATOM 1652 O ASP A 107 8.562 9.787 -4.548 1.00 72.01 O ATOM 1653 CB ASP A 107 11.064 7.878 -4.430 1.00 42.13 C ATOM 1654 CG ASP A 107 10.648 6.920 -5.534 1.00 32.33 C ATOM 1655 OD1 ASP A 107 10.095 7.382 -6.553 1.00 70.13 O ATOM 1656 OD2 ASP A 107 10.855 5.701 -5.382 1.00 5.52 O ATOM 0 H ASP A 107 9.939 6.094 -3.061 1.00 42.43 H new ATOM 0 HA ASP A 107 10.219 8.955 -2.752 1.00 51.31 H new ATOM 0 HB2 ASP A 107 11.396 8.817 -4.874 1.00 42.13 H new ATOM 0 HB3 ASP A 107 11.915 7.460 -3.893 1.00 42.13 H new ATOM 1661 N SER A 108 7.815 7.677 -4.518 1.00 73.33 N ATOM 1662 CA SER A 108 6.633 7.980 -5.306 1.00 54.21 C ATOM 1663 C SER A 108 5.392 8.094 -4.427 1.00 73.45 C ATOM 1664 O SER A 108 4.266 8.074 -4.918 1.00 32.52 O ATOM 1665 CB SER A 108 6.433 6.905 -6.378 1.00 45.00 C ATOM 1666 OG SER A 108 7.584 6.795 -7.214 1.00 45.13 O ATOM 0 H SER A 108 7.893 6.702 -4.229 1.00 73.33 H new ATOM 0 HA SER A 108 6.784 8.945 -5.790 1.00 54.21 H new ATOM 0 HB2 SER A 108 6.232 5.945 -5.902 1.00 45.00 H new ATOM 0 HB3 SER A 108 5.561 7.149 -6.984 1.00 45.00 H new ATOM 0 HG SER A 108 8.327 7.293 -6.814 1.00 45.13 H new ATOM 1672 N GLY A 109 5.604 8.226 -3.132 1.00 43.22 N ATOM 1673 CA GLY A 109 4.495 8.349 -2.224 1.00 10.22 C ATOM 1674 C GLY A 109 4.580 7.378 -1.081 1.00 2.42 C ATOM 1675 O GLY A 109 5.675 7.021 -0.638 1.00 24.12 O ATOM 0 H GLY A 109 6.525 8.250 -2.695 1.00 43.22 H new ATOM 0 HA2 GLY A 109 4.461 9.365 -1.832 1.00 10.22 H new ATOM 0 HA3 GLY A 109 3.564 8.186 -2.767 1.00 10.22 H new ATOM 1679 N ILE A 110 3.436 6.943 -0.604 1.00 62.33 N ATOM 1680 CA ILE A 110 3.377 6.023 0.512 1.00 61.52 C ATOM 1681 C ILE A 110 2.655 4.742 0.106 1.00 62.15 C ATOM 1682 O ILE A 110 1.620 4.789 -0.564 1.00 21.12 O ATOM 1683 CB ILE A 110 2.654 6.663 1.725 1.00 21.42 C ATOM 1684 CG1 ILE A 110 3.302 8.008 2.084 1.00 51.43 C ATOM 1685 CG2 ILE A 110 2.686 5.722 2.924 1.00 74.20 C ATOM 1686 CD1 ILE A 110 2.583 8.763 3.181 1.00 25.14 C ATOM 0 H ILE A 110 2.525 7.214 -0.975 1.00 62.33 H new ATOM 0 HA ILE A 110 4.400 5.785 0.802 1.00 61.52 H new ATOM 0 HB ILE A 110 1.613 6.839 1.453 1.00 21.42 H new ATOM 0 HG12 ILE A 110 4.333 7.832 2.393 1.00 51.43 H new ATOM 0 HG13 ILE A 110 3.339 8.632 1.191 1.00 51.43 H new ATOM 0 HG21 ILE A 110 2.174 6.188 3.766 1.00 74.20 H new ATOM 0 HG22 ILE A 110 2.186 4.788 2.667 1.00 74.20 H new ATOM 0 HG23 ILE A 110 3.721 5.516 3.198 1.00 74.20 H new ATOM 0 HD11 ILE A 110 3.101 9.702 3.377 1.00 25.14 H new ATOM 0 HD12 ILE A 110 1.560 8.972 2.869 1.00 25.14 H new ATOM 0 HD13 ILE A 110 2.569 8.160 4.089 1.00 25.14 H new ATOM 1698 N HIS A 111 3.216 3.608 0.492 1.00 24.14 N ATOM 1699 CA HIS A 111 2.622 2.314 0.192 1.00 12.45 C ATOM 1700 C HIS A 111 2.080 1.676 1.460 1.00 14.21 C ATOM 1701 O HIS A 111 2.611 1.892 2.543 1.00 24.04 O ATOM 1702 CB HIS A 111 3.650 1.357 -0.442 1.00 61.43 C ATOM 1703 CG HIS A 111 4.102 1.725 -1.826 1.00 53.15 C ATOM 1704 ND1 HIS A 111 5.073 2.565 -2.246 1.00 13.43 N flip ATOM 1705 CD2 HIS A 111 3.569 1.167 -2.967 1.00 53.32 C flip ATOM 1706 CE1 HIS A 111 5.112 2.496 -3.616 1.00 14.20 C flip ATOM 1707 NE2 HIS A 111 4.194 1.645 -4.024 1.00 22.22 N flip ATOM 0 H HIS A 111 4.089 3.557 1.018 1.00 24.14 H new ATOM 0 HA HIS A 111 1.812 2.485 -0.517 1.00 12.45 H new ATOM 0 HB2 HIS A 111 4.524 1.308 0.207 1.00 61.43 H new ATOM 0 HB3 HIS A 111 3.219 0.356 -0.472 1.00 61.43 H new ATOM 0 HD2 HIS A 111 2.763 0.448 -2.992 1.00 53.32 H new ATOM 0 HE1 HIS A 111 5.785 3.049 -4.255 1.00 14.20 H new ATOM 0 HE2 HIS A 111 3.999 1.398 -4.994 1.00 22.22 H new ATOM 1716 N ILE A 112 1.022 0.911 1.321 1.00 34.21 N ATOM 1717 CA ILE A 112 0.458 0.168 2.434 1.00 31.42 C ATOM 1718 C ILE A 112 0.542 -1.315 2.128 1.00 2.11 C ATOM 1719 O ILE A 112 0.054 -1.761 1.092 1.00 15.51 O ATOM 1720 CB ILE A 112 -1.022 0.538 2.698 1.00 65.43 C ATOM 1721 CG1 ILE A 112 -1.170 2.039 2.958 1.00 22.40 C ATOM 1722 CG2 ILE A 112 -1.568 -0.263 3.872 1.00 14.45 C ATOM 1723 CD1 ILE A 112 -2.590 2.465 3.273 1.00 74.13 C ATOM 0 H ILE A 112 0.527 0.784 0.439 1.00 34.21 H new ATOM 0 HA ILE A 112 1.031 0.422 3.326 1.00 31.42 H new ATOM 0 HB ILE A 112 -1.600 0.289 1.808 1.00 65.43 H new ATOM 0 HG12 ILE A 112 -0.523 2.321 3.789 1.00 22.40 H new ATOM 0 HG13 ILE A 112 -0.821 2.587 2.082 1.00 22.40 H new ATOM 0 HG21 ILE A 112 -2.609 0.009 4.045 1.00 14.45 H new ATOM 0 HG22 ILE A 112 -1.503 -1.328 3.648 1.00 14.45 H new ATOM 0 HG23 ILE A 112 -0.983 -0.044 4.765 1.00 14.45 H new ATOM 0 HD11 ILE A 112 -2.617 3.541 3.446 1.00 74.13 H new ATOM 0 HD12 ILE A 112 -3.239 2.216 2.434 1.00 74.13 H new ATOM 0 HD13 ILE A 112 -2.936 1.945 4.166 1.00 74.13 H new ATOM 1735 N ILE A 113 1.168 -2.070 3.010 1.00 62.20 N ATOM 1736 CA ILE A 113 1.330 -3.498 2.799 1.00 34.12 C ATOM 1737 C ILE A 113 0.429 -4.279 3.741 1.00 22.33 C ATOM 1738 O ILE A 113 0.440 -4.054 4.956 1.00 40.30 O ATOM 1739 CB ILE A 113 2.791 -3.942 3.038 1.00 61.44 C ATOM 1740 CG1 ILE A 113 3.762 -3.020 2.301 1.00 65.54 C ATOM 1741 CG2 ILE A 113 2.986 -5.387 2.590 1.00 34.45 C ATOM 1742 CD1 ILE A 113 5.216 -3.283 2.629 1.00 12.31 C ATOM 0 H ILE A 113 1.573 -1.720 3.879 1.00 62.20 H new ATOM 0 HA ILE A 113 1.059 -3.703 1.763 1.00 34.12 H new ATOM 0 HB ILE A 113 3.000 -3.877 4.106 1.00 61.44 H new ATOM 0 HG12 ILE A 113 3.614 -3.135 1.227 1.00 65.54 H new ATOM 0 HG13 ILE A 113 3.524 -1.985 2.547 1.00 65.54 H new ATOM 0 HG21 ILE A 113 4.020 -5.686 2.764 1.00 34.45 H new ATOM 0 HG22 ILE A 113 2.320 -6.037 3.157 1.00 34.45 H new ATOM 0 HG23 ILE A 113 2.758 -5.472 1.528 1.00 34.45 H new ATOM 0 HD11 ILE A 113 5.846 -2.592 2.070 1.00 12.31 H new ATOM 0 HD12 ILE A 113 5.380 -3.140 3.697 1.00 12.31 H new ATOM 0 HD13 ILE A 113 5.471 -4.307 2.357 1.00 12.31 H new ATOM 1754 N LEU A 114 -0.345 -5.184 3.187 1.00 75.41 N ATOM 1755 CA LEU A 114 -1.214 -6.027 3.980 1.00 22.33 C ATOM 1756 C LEU A 114 -0.818 -7.482 3.792 1.00 44.32 C ATOM 1757 O LEU A 114 -0.591 -7.927 2.668 1.00 24.52 O ATOM 1758 CB LEU A 114 -2.677 -5.819 3.565 1.00 24.03 C ATOM 1759 CG LEU A 114 -3.713 -6.680 4.295 1.00 74.32 C ATOM 1760 CD1 LEU A 114 -3.747 -6.347 5.778 1.00 31.14 C ATOM 1761 CD2 LEU A 114 -5.089 -6.499 3.673 1.00 44.41 C ATOM 0 H LEU A 114 -0.391 -5.357 2.183 1.00 75.41 H new ATOM 0 HA LEU A 114 -1.111 -5.760 5.032 1.00 22.33 H new ATOM 0 HB2 LEU A 114 -2.932 -4.771 3.720 1.00 24.03 H new ATOM 0 HB3 LEU A 114 -2.761 -6.013 2.496 1.00 24.03 H new ATOM 0 HG LEU A 114 -3.422 -7.725 4.190 1.00 74.32 H new ATOM 0 HD11 LEU A 114 -4.490 -6.971 6.274 1.00 31.14 H new ATOM 0 HD12 LEU A 114 -2.766 -6.533 6.215 1.00 31.14 H new ATOM 0 HD13 LEU A 114 -4.009 -5.297 5.909 1.00 31.14 H new ATOM 0 HD21 LEU A 114 -5.812 -7.118 4.204 1.00 44.41 H new ATOM 0 HD22 LEU A 114 -5.385 -5.452 3.744 1.00 44.41 H new ATOM 0 HD23 LEU A 114 -5.057 -6.797 2.625 1.00 44.41 H new ATOM 1773 N ARG A 115 -0.748 -8.222 4.880 1.00 20.10 N ATOM 1774 CA ARG A 115 -0.370 -9.619 4.816 1.00 55.25 C ATOM 1775 C ARG A 115 -1.612 -10.495 4.762 1.00 20.13 C ATOM 1776 O ARG A 115 -2.296 -10.681 5.772 1.00 54.34 O ATOM 1777 CB ARG A 115 0.492 -9.995 6.020 1.00 14.44 C ATOM 1778 CG ARG A 115 1.035 -11.412 5.973 1.00 41.14 C ATOM 1779 CD ARG A 115 2.116 -11.564 4.919 1.00 21.42 C ATOM 1780 NE ARG A 115 2.543 -12.952 4.789 1.00 4.34 N ATOM 1781 CZ ARG A 115 3.723 -13.427 5.178 1.00 41.50 C ATOM 1782 NH1 ARG A 115 4.637 -12.619 5.716 1.00 30.24 N ATOM 1783 NH2 ARG A 115 3.988 -14.717 5.025 1.00 11.22 N ATOM 0 H ARG A 115 -0.948 -7.879 5.820 1.00 20.10 H new ATOM 0 HA ARG A 115 0.214 -9.781 3.910 1.00 55.25 H new ATOM 0 HB2 ARG A 115 1.328 -9.299 6.087 1.00 14.44 H new ATOM 0 HB3 ARG A 115 -0.098 -9.873 6.928 1.00 14.44 H new ATOM 0 HG2 ARG A 115 1.439 -11.680 6.950 1.00 41.14 H new ATOM 0 HG3 ARG A 115 0.222 -12.107 5.763 1.00 41.14 H new ATOM 0 HD2 ARG A 115 1.743 -11.205 3.960 1.00 21.42 H new ATOM 0 HD3 ARG A 115 2.972 -10.942 5.181 1.00 21.42 H new ATOM 0 HE ARG A 115 1.887 -13.609 4.367 1.00 4.34 H new ATOM 0 HH11 ARG A 115 4.435 -11.626 5.833 1.00 30.24 H new ATOM 0 HH12 ARG A 115 5.539 -12.994 6.011 1.00 30.24 H new ATOM 0 HH21 ARG A 115 3.290 -15.336 4.612 1.00 11.22 H new ATOM 0 HH22 ARG A 115 4.890 -15.091 5.320 1.00 11.22 H new ATOM 1797 N THR A 116 -1.904 -11.018 3.587 1.00 42.21 N ATOM 1798 CA THR A 116 -3.081 -11.838 3.385 1.00 71.42 C ATOM 1799 C THR A 116 -2.784 -13.328 3.579 1.00 52.04 C ATOM 1800 O THR A 116 -3.599 -14.066 4.148 1.00 3.43 O ATOM 1801 CB THR A 116 -3.666 -11.600 1.983 1.00 53.55 C ATOM 1802 OG1 THR A 116 -2.600 -11.551 1.019 1.00 2.03 O ATOM 1803 CG2 THR A 116 -4.446 -10.295 1.942 1.00 24.33 C ATOM 0 H THR A 116 -1.335 -10.887 2.750 1.00 42.21 H new ATOM 0 HA THR A 116 -3.812 -11.544 4.139 1.00 71.42 H new ATOM 0 HB THR A 116 -4.343 -12.420 1.744 1.00 53.55 H new ATOM 0 HG1 THR A 116 -2.974 -11.401 0.126 1.00 2.03 H new ATOM 0 HG21 THR A 116 -4.852 -10.145 0.942 1.00 24.33 H new ATOM 0 HG22 THR A 116 -5.263 -10.337 2.662 1.00 24.33 H new ATOM 0 HG23 THR A 116 -3.783 -9.467 2.193 1.00 24.33 H new ATOM 1811 N GLU A 117 -1.624 -13.763 3.117 1.00 22.30 N ATOM 1812 CA GLU A 117 -1.234 -15.156 3.230 1.00 31.54 C ATOM 1813 C GLU A 117 -0.069 -15.282 4.197 1.00 41.50 C ATOM 1814 O GLU A 117 -0.284 -15.747 5.333 1.00 0.00 O ATOM 1815 CB GLU A 117 -0.865 -15.708 1.844 1.00 2.43 C ATOM 1816 CG GLU A 117 -0.870 -17.231 1.724 1.00 55.24 C ATOM 1817 CD GLU A 117 0.434 -17.877 2.151 1.00 41.12 C ATOM 1818 OE1 GLU A 117 1.397 -17.889 1.339 1.00 70.40 O ATOM 1819 OE2 GLU A 117 0.504 -18.387 3.280 1.00 72.04 O ATOM 1820 OXT GLU A 117 1.046 -14.876 3.830 1.00 0.00 O ATOM 0 H GLU A 117 -0.934 -13.168 2.658 1.00 22.30 H new ATOM 0 HA GLU A 117 -2.068 -15.741 3.618 1.00 31.54 H new ATOM 0 HB2 GLU A 117 -1.562 -15.300 1.112 1.00 2.43 H new ATOM 0 HB3 GLU A 117 0.127 -15.343 1.578 1.00 2.43 H new ATOM 0 HG2 GLU A 117 -1.681 -17.632 2.332 1.00 55.24 H new ATOM 0 HG3 GLU A 117 -1.080 -17.505 0.690 1.00 55.24 H new TER 1827 GLU A 117