USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 906 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 85 GLN : amide:sc= 0.725 K(o=-2.8,f=-5) USER MOD Set 1.2: A 106 THR OG1 : rot 170:sc= 0.266 USER MOD Set 1.3: A 111 HIS : no HE2:sc= -3.75! C(o=-2.8!,f=-4.7!) USER MOD Set 2.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 63 GLN : amide:sc= 0.546 K(o=0.55,f=0) USER MOD Set 3.1: A 18 HIS : no HE2:sc= -0.814 K(o=0.6,f=-8.3!) USER MOD Set 3.2: A 19 SER OG : rot 58:sc= 0.254 USER MOD Set 3.3: A 20 GLN : amide:sc= 1.26 K(o=0.6,f=-15!) USER MOD Set 3.4: A 35 THR OG1 : rot 180:sc= -0.0982 USER MOD Set 4.1: A 13 HIS : no HD1:sc= -2.02 X(o=-0.71,f=-0.58!) USER MOD Set 4.2: A 67 CYS SG : rot 124:sc= -0.0742 USER MOD Set 4.3: A 69 SER OG : rot 86:sc= 1.38 USER MOD Set 5.1: A 2 SER OG : rot 180:sc= -0.302 USER MOD Set 5.2: A 3 HIS : no HD1:sc= -0.318 K(o=-0.62,f=1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 157:sc= -0.178 (180deg=-0.982) USER MOD Single : A 11 CYS SG : rot -119:sc= -4.6! USER MOD Single : A 12 SER OG : rot -31:sc= 0.327 USER MOD Single : A 17 LYS NZ :NH3+ -151:sc= 1.02 (180deg=0.449) USER MOD Single : A 21 SER OG : rot 113:sc= 1.21 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -150:sc= 0.571 USER MOD Single : A 29 GLN : amide:sc= -3.21! K(o=-3.2!,f=-1.4) USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0394) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0215 K(o=-0.022,f=-1.1!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.401 USER MOD Single : A 48 GLN : amide:sc= -0.954 K(o=-0.95,f=-0.067) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 1.11 (180deg=0.621) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 76:sc= 0.816 USER MOD Single : A 62 SER OG : rot 52:sc= 1.03 USER MOD Single : A 65 SER OG : rot 26:sc= 1.84 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -172:sc=-0.00729 (180deg=-0.118) USER MOD Single : A 80 SER OG : rot 80:sc= 0.984 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 84 MET CE :methyl 168:sc= -1.09 (180deg=-1.78) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 0.897 (180deg=0.866) USER MOD Single : A 92 SER OG : rot 85:sc= 1.25 USER MOD Single : A 97 THR OG1 : rot -104:sc= 1.23 USER MOD Single : A 100 MET CE :methyl -149:sc= -0.58 (180deg=-1.69) USER MOD Single : A 101 SER OG : rot 170:sc= -0.851 USER MOD Single : A 108 SER OG : rot 170:sc= -1.71! USER MOD Single : A 116 THR OG1 : rot 117:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.502 -27.818 0.120 1.00 31.35 N ATOM 2 CA GLY A 1 -14.138 -26.500 0.675 1.00 35.22 C ATOM 3 C GLY A 1 -14.552 -26.361 2.124 1.00 5.15 C ATOM 4 O GLY A 1 -15.728 -26.142 2.422 1.00 20.31 O ATOM 0 H1 GLY A 1 -14.201 -27.871 -0.874 1.00 31.35 H new ATOM 0 H2 GLY A 1 -14.030 -28.567 0.666 1.00 31.35 H new ATOM 0 H3 GLY A 1 -15.533 -27.946 0.177 1.00 31.35 H new ATOM 0 HA2 GLY A 1 -13.061 -26.356 0.590 1.00 35.22 H new ATOM 0 HA3 GLY A 1 -14.612 -25.715 0.086 1.00 35.22 H new ATOM 10 N SER A 2 -13.594 -26.493 3.025 1.00 52.00 N ATOM 11 CA SER A 2 -13.863 -26.384 4.448 1.00 1.40 C ATOM 12 C SER A 2 -13.400 -25.034 4.998 1.00 31.42 C ATOM 13 O SER A 2 -13.721 -24.666 6.133 1.00 2.02 O ATOM 14 CB SER A 2 -13.174 -27.525 5.191 1.00 73.42 C ATOM 15 OG SER A 2 -11.816 -27.632 4.798 1.00 40.20 O ATOM 0 H SER A 2 -12.618 -26.677 2.794 1.00 52.00 H new ATOM 0 HA SER A 2 -14.940 -26.453 4.601 1.00 1.40 H new ATOM 0 HB2 SER A 2 -13.234 -27.354 6.266 1.00 73.42 H new ATOM 0 HB3 SER A 2 -13.691 -28.463 4.988 1.00 73.42 H new ATOM 0 HG SER A 2 -11.391 -28.368 5.286 1.00 40.20 H new ATOM 21 N HIS A 3 -12.643 -24.301 4.198 1.00 74.34 N ATOM 22 CA HIS A 3 -12.139 -23.000 4.610 1.00 71.32 C ATOM 23 C HIS A 3 -12.586 -21.924 3.634 1.00 14.32 C ATOM 24 O HIS A 3 -12.168 -21.914 2.478 1.00 13.32 O ATOM 25 CB HIS A 3 -10.600 -22.999 4.702 1.00 71.33 C ATOM 26 CG HIS A 3 -10.025 -23.941 5.719 1.00 4.14 C ATOM 27 ND1 HIS A 3 -9.381 -23.518 6.863 1.00 64.15 N ATOM 28 CD2 HIS A 3 -9.981 -25.292 5.749 1.00 42.14 C ATOM 29 CE1 HIS A 3 -8.969 -24.568 7.545 1.00 4.10 C ATOM 30 NE2 HIS A 3 -9.322 -25.652 6.891 1.00 2.44 N ATOM 0 H HIS A 3 -12.364 -24.584 3.259 1.00 74.34 H new ATOM 0 HA HIS A 3 -12.547 -22.788 5.598 1.00 71.32 H new ATOM 0 HB2 HIS A 3 -10.192 -23.252 3.723 1.00 71.33 H new ATOM 0 HB3 HIS A 3 -10.266 -21.988 4.935 1.00 71.33 H new ATOM 0 HD2 HIS A 3 -10.391 -25.962 5.008 1.00 42.14 H new ATOM 0 HE1 HIS A 3 -8.433 -24.542 8.482 1.00 4.10 H new ATOM 0 HE2 HIS A 3 -9.134 -26.609 7.188 1.00 2.44 H new ATOM 39 N MET A 4 -13.443 -21.030 4.092 1.00 4.42 N ATOM 40 CA MET A 4 -13.897 -19.927 3.255 1.00 5.25 C ATOM 41 C MET A 4 -12.942 -18.760 3.377 1.00 14.33 C ATOM 42 O MET A 4 -12.935 -17.854 2.545 1.00 14.24 O ATOM 43 CB MET A 4 -15.315 -19.490 3.625 1.00 34.03 C ATOM 44 CG MET A 4 -16.383 -20.512 3.282 1.00 70.52 C ATOM 45 SD MET A 4 -18.055 -19.905 3.582 1.00 11.31 S ATOM 46 CE MET A 4 -18.125 -18.511 2.457 1.00 25.50 C ATOM 0 H MET A 4 -13.838 -21.042 5.032 1.00 4.42 H new ATOM 0 HA MET A 4 -13.915 -20.273 2.221 1.00 5.25 H new ATOM 0 HB2 MET A 4 -15.354 -19.284 4.695 1.00 34.03 H new ATOM 0 HB3 MET A 4 -15.542 -18.556 3.112 1.00 34.03 H new ATOM 0 HG2 MET A 4 -16.286 -20.793 2.233 1.00 70.52 H new ATOM 0 HG3 MET A 4 -16.218 -21.414 3.871 1.00 70.52 H new ATOM 0 HE1 MET A 4 -19.165 -18.289 2.216 1.00 25.50 H new ATOM 0 HE2 MET A 4 -17.668 -17.640 2.927 1.00 25.50 H new ATOM 0 HE3 MET A 4 -17.585 -18.754 1.542 1.00 25.50 H new ATOM 56 N GLU A 5 -12.147 -18.784 4.428 1.00 52.25 N ATOM 57 CA GLU A 5 -11.145 -17.768 4.657 1.00 62.20 C ATOM 58 C GLU A 5 -9.811 -18.252 4.109 1.00 51.34 C ATOM 59 O GLU A 5 -9.280 -19.266 4.570 1.00 2.42 O ATOM 60 CB GLU A 5 -11.014 -17.449 6.155 1.00 42.21 C ATOM 61 CG GLU A 5 -12.158 -16.615 6.736 1.00 32.54 C ATOM 62 CD GLU A 5 -13.511 -17.289 6.638 1.00 14.23 C ATOM 63 OE1 GLU A 5 -13.686 -18.370 7.237 1.00 51.23 O ATOM 64 OE2 GLU A 5 -14.403 -16.738 5.963 1.00 13.44 O ATOM 0 H GLU A 5 -12.179 -19.508 5.145 1.00 52.25 H new ATOM 0 HA GLU A 5 -11.447 -16.854 4.145 1.00 62.20 H new ATOM 0 HB2 GLU A 5 -10.950 -18.386 6.707 1.00 42.21 H new ATOM 0 HB3 GLU A 5 -10.076 -16.918 6.318 1.00 42.21 H new ATOM 0 HG2 GLU A 5 -11.944 -16.399 7.783 1.00 32.54 H new ATOM 0 HG3 GLU A 5 -12.200 -15.658 6.216 1.00 32.54 H new ATOM 71 N PRO A 6 -9.267 -17.557 3.104 1.00 31.53 N ATOM 72 CA PRO A 6 -8.001 -17.938 2.466 1.00 11.53 C ATOM 73 C PRO A 6 -6.814 -17.927 3.430 1.00 45.22 C ATOM 74 O PRO A 6 -6.839 -17.260 4.478 1.00 15.04 O ATOM 75 CB PRO A 6 -7.802 -16.870 1.382 1.00 24.14 C ATOM 76 CG PRO A 6 -9.149 -16.279 1.168 1.00 11.21 C ATOM 77 CD PRO A 6 -9.846 -16.351 2.490 1.00 3.44 C ATOM 0 HA PRO A 6 -8.047 -18.958 2.086 1.00 11.53 H new ATOM 0 HB2 PRO A 6 -7.086 -16.113 1.701 1.00 24.14 H new ATOM 0 HB3 PRO A 6 -7.414 -17.309 0.463 1.00 24.14 H new ATOM 0 HG2 PRO A 6 -9.072 -15.248 0.823 1.00 11.21 H new ATOM 0 HG3 PRO A 6 -9.700 -16.830 0.406 1.00 11.21 H new ATOM 0 HD2 PRO A 6 -9.660 -15.462 3.093 1.00 3.44 H new ATOM 0 HD3 PRO A 6 -10.926 -16.437 2.373 1.00 3.44 H new ATOM 85 N ALA A 7 -5.790 -18.683 3.078 1.00 64.12 N ATOM 86 CA ALA A 7 -4.564 -18.730 3.846 1.00 42.14 C ATOM 87 C ALA A 7 -3.530 -17.840 3.186 1.00 43.34 C ATOM 88 O ALA A 7 -2.664 -17.266 3.847 1.00 14.11 O ATOM 89 CB ALA A 7 -4.053 -20.157 3.947 1.00 61.51 C ATOM 0 H ALA A 7 -5.787 -19.281 2.251 1.00 64.12 H new ATOM 0 HA ALA A 7 -4.757 -18.371 4.857 1.00 42.14 H new ATOM 0 HB1 ALA A 7 -3.131 -20.173 4.528 1.00 61.51 H new ATOM 0 HB2 ALA A 7 -4.802 -20.778 4.439 1.00 61.51 H new ATOM 0 HB3 ALA A 7 -3.859 -20.546 2.947 1.00 61.51 H new ATOM 95 N ARG A 8 -3.639 -17.732 1.871 1.00 31.30 N ATOM 96 CA ARG A 8 -2.771 -16.886 1.079 1.00 53.41 C ATOM 97 C ARG A 8 -3.592 -16.009 0.164 1.00 2.31 C ATOM 98 O ARG A 8 -4.512 -16.484 -0.505 1.00 4.44 O ATOM 99 CB ARG A 8 -1.793 -17.713 0.243 1.00 52.33 C ATOM 100 CG ARG A 8 -0.548 -18.139 0.986 1.00 13.45 C ATOM 101 CD ARG A 8 0.461 -18.771 0.046 1.00 71.31 C ATOM 102 NE ARG A 8 1.747 -19.000 0.699 1.00 72.14 N ATOM 103 CZ ARG A 8 2.867 -19.347 0.061 1.00 62.42 C ATOM 104 NH1 ARG A 8 2.859 -19.512 -1.259 1.00 62.30 N ATOM 105 NH2 ARG A 8 3.992 -19.525 0.744 1.00 71.23 N ATOM 0 H ARG A 8 -4.338 -18.234 1.323 1.00 31.30 H new ATOM 0 HA ARG A 8 -2.197 -16.266 1.768 1.00 53.41 H new ATOM 0 HB2 ARG A 8 -2.307 -18.602 -0.122 1.00 52.33 H new ATOM 0 HB3 ARG A 8 -1.500 -17.133 -0.632 1.00 52.33 H new ATOM 0 HG2 ARG A 8 -0.100 -17.275 1.477 1.00 13.45 H new ATOM 0 HG3 ARG A 8 -0.814 -18.849 1.770 1.00 13.45 H new ATOM 0 HD2 ARG A 8 0.068 -19.718 -0.324 1.00 71.31 H new ATOM 0 HD3 ARG A 8 0.604 -18.125 -0.820 1.00 71.31 H new ATOM 0 HE ARG A 8 1.793 -18.887 1.712 1.00 72.14 H new ATOM 0 HH11 ARG A 8 1.996 -19.373 -1.785 1.00 62.30 H new ATOM 0 HH12 ARG A 8 3.716 -19.777 -1.745 1.00 62.30 H new ATOM 0 HH21 ARG A 8 4.000 -19.397 1.756 1.00 71.23 H new ATOM 0 HH22 ARG A 8 4.848 -19.790 0.257 1.00 71.23 H new ATOM 119 N VAL A 9 -3.272 -14.739 0.141 1.00 52.34 N ATOM 120 CA VAL A 9 -3.963 -13.796 -0.711 1.00 32.45 C ATOM 121 C VAL A 9 -2.964 -12.923 -1.441 1.00 5.44 C ATOM 122 O VAL A 9 -1.899 -12.602 -0.902 1.00 62.43 O ATOM 123 CB VAL A 9 -4.947 -12.894 0.086 1.00 4.35 C ATOM 124 CG1 VAL A 9 -6.120 -13.704 0.610 1.00 45.14 C ATOM 125 CG2 VAL A 9 -4.232 -12.194 1.235 1.00 21.40 C ATOM 0 H VAL A 9 -2.530 -14.329 0.708 1.00 52.34 H new ATOM 0 HA VAL A 9 -4.545 -14.378 -1.426 1.00 32.45 H new ATOM 0 HB VAL A 9 -5.330 -12.134 -0.595 1.00 4.35 H new ATOM 0 HG11 VAL A 9 -6.794 -13.051 1.164 1.00 45.14 H new ATOM 0 HG12 VAL A 9 -6.655 -14.152 -0.227 1.00 45.14 H new ATOM 0 HG13 VAL A 9 -5.753 -14.491 1.269 1.00 45.14 H new ATOM 0 HG21 VAL A 9 -4.941 -11.569 1.778 1.00 21.40 H new ATOM 0 HG22 VAL A 9 -3.814 -12.939 1.911 1.00 21.40 H new ATOM 0 HG23 VAL A 9 -3.429 -11.572 0.839 1.00 21.40 H new ATOM 135 N ARG A 10 -3.290 -12.554 -2.662 1.00 44.13 N ATOM 136 CA ARG A 10 -2.428 -11.694 -3.433 1.00 5.20 C ATOM 137 C ARG A 10 -2.924 -10.279 -3.352 1.00 25.35 C ATOM 138 O ARG A 10 -4.020 -9.960 -3.832 1.00 62.25 O ATOM 139 CB ARG A 10 -2.350 -12.131 -4.893 1.00 20.33 C ATOM 140 CG ARG A 10 -1.414 -11.259 -5.711 1.00 10.21 C ATOM 141 CD ARG A 10 -1.296 -11.724 -7.144 1.00 41.43 C ATOM 142 NE ARG A 10 -0.277 -10.963 -7.861 1.00 73.45 N ATOM 143 CZ ARG A 10 -0.255 -10.758 -9.175 1.00 62.33 C ATOM 144 NH1 ARG A 10 -1.254 -11.175 -9.943 1.00 14.02 N ATOM 145 NH2 ARG A 10 0.758 -10.096 -9.711 1.00 62.34 N ATOM 0 H ARG A 10 -4.146 -12.838 -3.139 1.00 44.13 H new ATOM 0 HA ARG A 10 -1.425 -11.762 -3.012 1.00 5.20 H new ATOM 0 HB2 ARG A 10 -2.012 -13.166 -4.942 1.00 20.33 H new ATOM 0 HB3 ARG A 10 -3.347 -12.100 -5.332 1.00 20.33 H new ATOM 0 HG2 ARG A 10 -1.774 -10.230 -5.695 1.00 10.21 H new ATOM 0 HG3 ARG A 10 -0.426 -11.259 -5.250 1.00 10.21 H new ATOM 0 HD2 ARG A 10 -1.045 -12.784 -7.166 1.00 41.43 H new ATOM 0 HD3 ARG A 10 -2.257 -11.613 -7.646 1.00 41.43 H new ATOM 0 HE ARG A 10 0.479 -10.556 -7.310 1.00 73.45 H new ATOM 0 HH11 ARG A 10 -2.050 -11.658 -9.527 1.00 14.02 H new ATOM 0 HH12 ARG A 10 -1.226 -11.012 -10.949 1.00 14.02 H new ATOM 0 HH21 ARG A 10 1.511 -9.749 -9.118 1.00 62.34 H new ATOM 0 HH22 ARG A 10 0.785 -9.933 -10.718 1.00 62.34 H new ATOM 159 N CYS A 11 -2.135 -9.434 -2.744 1.00 21.51 N ATOM 160 CA CYS A 11 -2.513 -8.064 -2.569 1.00 14.50 C ATOM 161 C CYS A 11 -1.416 -7.143 -3.054 1.00 42.02 C ATOM 162 O CYS A 11 -0.245 -7.298 -2.687 1.00 62.14 O ATOM 163 CB CYS A 11 -2.803 -7.791 -1.096 1.00 24.33 C ATOM 164 SG CYS A 11 -3.853 -9.033 -0.309 1.00 74.44 S ATOM 0 H CYS A 11 -1.221 -9.676 -2.361 1.00 21.51 H new ATOM 0 HA CYS A 11 -3.411 -7.874 -3.156 1.00 14.50 H new ATOM 0 HB2 CYS A 11 -1.858 -7.734 -0.555 1.00 24.33 H new ATOM 0 HB3 CYS A 11 -3.282 -6.816 -1.006 1.00 24.33 H new ATOM 0 HG CYS A 11 -4.944 -8.471 0.119 1.00 74.44 H new ATOM 170 N SER A 12 -1.786 -6.205 -3.885 1.00 54.31 N ATOM 171 CA SER A 12 -0.866 -5.211 -4.355 1.00 0.31 C ATOM 172 C SER A 12 -1.032 -3.970 -3.496 1.00 34.03 C ATOM 173 O SER A 12 -2.135 -3.697 -3.013 1.00 64.53 O ATOM 174 CB SER A 12 -1.130 -4.911 -5.827 1.00 34.01 C ATOM 175 OG SER A 12 -1.123 -6.112 -6.593 1.00 71.23 O ATOM 0 H SER A 12 -2.733 -6.111 -4.253 1.00 54.31 H new ATOM 0 HA SER A 12 0.161 -5.567 -4.276 1.00 0.31 H new ATOM 0 HB2 SER A 12 -2.092 -4.410 -5.935 1.00 34.01 H new ATOM 0 HB3 SER A 12 -0.371 -4.227 -6.206 1.00 34.01 H new ATOM 0 HG SER A 12 -0.509 -6.757 -6.184 1.00 71.23 H new ATOM 181 N HIS A 13 0.038 -3.228 -3.277 1.00 0.42 N ATOM 182 CA HIS A 13 -0.050 -2.088 -2.390 1.00 15.52 C ATOM 183 C HIS A 13 0.679 -0.870 -2.916 1.00 51.02 C ATOM 184 O HIS A 13 1.777 -0.967 -3.464 1.00 21.40 O ATOM 185 CB HIS A 13 0.483 -2.437 -0.990 1.00 31.43 C ATOM 186 CG HIS A 13 1.983 -2.549 -0.903 1.00 45.14 C ATOM 187 ND1 HIS A 13 2.780 -1.565 -0.355 1.00 21.12 N ATOM 188 CD2 HIS A 13 2.824 -3.529 -1.294 1.00 34.21 C ATOM 189 CE1 HIS A 13 4.041 -1.940 -0.415 1.00 41.53 C ATOM 190 NE2 HIS A 13 4.097 -3.125 -0.978 1.00 33.12 N ATOM 0 H HIS A 13 0.956 -3.390 -3.691 1.00 0.42 H new ATOM 0 HA HIS A 13 -1.109 -1.838 -2.330 1.00 15.52 H new ATOM 0 HB2 HIS A 13 0.147 -1.675 -0.287 1.00 31.43 H new ATOM 0 HB3 HIS A 13 0.042 -3.382 -0.672 1.00 31.43 H new ATOM 0 HD2 HIS A 13 2.547 -4.459 -1.768 1.00 34.21 H new ATOM 0 HE1 HIS A 13 4.887 -1.369 -0.061 1.00 41.53 H new ATOM 0 HE2 HIS A 13 4.949 -3.659 -1.152 1.00 33.12 H new ATOM 199 N LEU A 14 0.063 0.268 -2.730 1.00 64.21 N ATOM 200 CA LEU A 14 0.674 1.532 -3.045 1.00 73.30 C ATOM 201 C LEU A 14 1.101 2.157 -1.721 1.00 11.21 C ATOM 202 O LEU A 14 0.266 2.395 -0.848 1.00 63.23 O ATOM 203 CB LEU A 14 -0.334 2.433 -3.784 1.00 22.30 C ATOM 204 CG LEU A 14 0.254 3.552 -4.663 1.00 64.13 C ATOM 205 CD1 LEU A 14 -0.836 4.182 -5.512 1.00 65.24 C ATOM 206 CD2 LEU A 14 0.940 4.616 -3.820 1.00 44.42 C ATOM 0 H LEU A 14 -0.882 0.344 -2.354 1.00 64.21 H new ATOM 0 HA LEU A 14 1.536 1.407 -3.700 1.00 73.30 H new ATOM 0 HB2 LEU A 14 -0.959 1.799 -4.413 1.00 22.30 H new ATOM 0 HB3 LEU A 14 -0.988 2.891 -3.042 1.00 22.30 H new ATOM 0 HG LEU A 14 1.003 3.104 -5.316 1.00 64.13 H new ATOM 0 HD11 LEU A 14 -0.406 4.972 -6.128 1.00 65.24 H new ATOM 0 HD12 LEU A 14 -1.282 3.422 -6.154 1.00 65.24 H new ATOM 0 HD13 LEU A 14 -1.603 4.605 -4.864 1.00 65.24 H new ATOM 0 HD21 LEU A 14 1.344 5.391 -4.471 1.00 44.42 H new ATOM 0 HD22 LEU A 14 0.218 5.058 -3.134 1.00 44.42 H new ATOM 0 HD23 LEU A 14 1.751 4.162 -3.250 1.00 44.42 H new ATOM 218 N LEU A 15 2.394 2.367 -1.547 1.00 13.44 N ATOM 219 CA LEU A 15 2.909 2.902 -0.293 1.00 2.44 C ATOM 220 C LEU A 15 3.465 4.307 -0.447 1.00 1.31 C ATOM 221 O LEU A 15 4.437 4.527 -1.176 1.00 62.34 O ATOM 222 CB LEU A 15 3.982 1.964 0.300 1.00 13.30 C ATOM 223 CG LEU A 15 4.836 2.540 1.453 1.00 61.23 C ATOM 224 CD1 LEU A 15 3.963 3.099 2.553 1.00 75.44 C ATOM 225 CD2 LEU A 15 5.767 1.480 2.020 1.00 31.33 C ATOM 0 H LEU A 15 3.106 2.177 -2.253 1.00 13.44 H new ATOM 0 HA LEU A 15 2.066 2.961 0.395 1.00 2.44 H new ATOM 0 HB2 LEU A 15 3.487 1.062 0.659 1.00 13.30 H new ATOM 0 HB3 LEU A 15 4.653 1.661 -0.504 1.00 13.30 H new ATOM 0 HG LEU A 15 5.436 3.351 1.041 1.00 61.23 H new ATOM 0 HD11 LEU A 15 4.592 3.497 3.350 1.00 75.44 H new ATOM 0 HD12 LEU A 15 3.338 3.897 2.152 1.00 75.44 H new ATOM 0 HD13 LEU A 15 3.329 2.307 2.952 1.00 75.44 H new ATOM 0 HD21 LEU A 15 6.357 1.909 2.830 1.00 31.33 H new ATOM 0 HD22 LEU A 15 5.179 0.646 2.403 1.00 31.33 H new ATOM 0 HD23 LEU A 15 6.434 1.124 1.235 1.00 31.33 H new ATOM 237 N VAL A 16 2.835 5.240 0.242 1.00 5.14 N ATOM 238 CA VAL A 16 3.295 6.613 0.299 1.00 13.22 C ATOM 239 C VAL A 16 3.731 6.920 1.726 1.00 12.02 C ATOM 240 O VAL A 16 2.900 6.987 2.645 1.00 60.42 O ATOM 241 CB VAL A 16 2.192 7.613 -0.129 1.00 41.42 C ATOM 242 CG1 VAL A 16 2.697 9.044 -0.039 1.00 41.40 C ATOM 243 CG2 VAL A 16 1.713 7.310 -1.537 1.00 44.33 C ATOM 0 H VAL A 16 1.986 5.065 0.780 1.00 5.14 H new ATOM 0 HA VAL A 16 4.127 6.725 -0.396 1.00 13.22 H new ATOM 0 HB VAL A 16 1.351 7.502 0.555 1.00 41.42 H new ATOM 0 HG11 VAL A 16 1.906 9.729 -0.344 1.00 41.40 H new ATOM 0 HG12 VAL A 16 2.990 9.263 0.988 1.00 41.40 H new ATOM 0 HG13 VAL A 16 3.558 9.168 -0.696 1.00 41.40 H new ATOM 0 HG21 VAL A 16 0.939 8.023 -1.819 1.00 44.33 H new ATOM 0 HG22 VAL A 16 2.550 7.389 -2.231 1.00 44.33 H new ATOM 0 HG23 VAL A 16 1.306 6.299 -1.573 1.00 44.33 H new ATOM 253 N LYS A 17 5.024 7.072 1.920 1.00 23.01 N ATOM 254 CA LYS A 17 5.573 7.319 3.242 1.00 53.25 C ATOM 255 C LYS A 17 5.409 8.782 3.644 1.00 1.31 C ATOM 256 O LYS A 17 5.131 9.640 2.806 1.00 4.51 O ATOM 257 CB LYS A 17 7.043 6.898 3.300 1.00 40.45 C ATOM 258 CG LYS A 17 7.277 5.445 2.910 1.00 14.23 C ATOM 259 CD LYS A 17 8.733 5.037 3.089 1.00 0.11 C ATOM 260 CE LYS A 17 8.977 3.632 2.554 1.00 21.40 C ATOM 261 NZ LYS A 17 10.345 3.143 2.859 1.00 54.15 N ATOM 0 H LYS A 17 5.720 7.029 1.176 1.00 23.01 H new ATOM 0 HA LYS A 17 5.014 6.715 3.957 1.00 53.25 H new ATOM 0 HB2 LYS A 17 7.623 7.541 2.638 1.00 40.45 H new ATOM 0 HB3 LYS A 17 7.419 7.059 4.310 1.00 40.45 H new ATOM 0 HG2 LYS A 17 6.642 4.799 3.517 1.00 14.23 H new ATOM 0 HG3 LYS A 17 6.983 5.296 1.871 1.00 14.23 H new ATOM 0 HD2 LYS A 17 9.379 5.745 2.570 1.00 0.11 H new ATOM 0 HD3 LYS A 17 8.999 5.079 4.145 1.00 0.11 H new ATOM 0 HE2 LYS A 17 8.245 2.949 2.985 1.00 21.40 H new ATOM 0 HE3 LYS A 17 8.823 3.625 1.475 1.00 21.40 H new ATOM 0 HZ1 LYS A 17 10.646 2.473 2.123 1.00 54.15 H new ATOM 0 HZ2 LYS A 17 11.003 3.948 2.885 1.00 54.15 H new ATOM 0 HZ3 LYS A 17 10.345 2.665 3.783 1.00 54.15 H new ATOM 275 N HIS A 18 5.576 9.059 4.928 1.00 10.21 N ATOM 276 CA HIS A 18 5.430 10.412 5.451 1.00 12.42 C ATOM 277 C HIS A 18 6.331 10.620 6.656 1.00 24.23 C ATOM 278 O HIS A 18 6.911 9.666 7.159 1.00 31.53 O ATOM 279 CB HIS A 18 3.957 10.731 5.803 1.00 70.22 C ATOM 280 CG HIS A 18 3.296 9.761 6.750 1.00 72.40 C ATOM 281 ND1 HIS A 18 3.114 10.016 8.091 1.00 34.31 N ATOM 282 CD2 HIS A 18 2.754 8.540 6.530 1.00 60.04 C ATOM 283 CE1 HIS A 18 2.493 8.993 8.652 1.00 61.30 C ATOM 284 NE2 HIS A 18 2.264 8.086 7.729 1.00 53.34 N ATOM 0 H HIS A 18 5.814 8.361 5.632 1.00 10.21 H new ATOM 0 HA HIS A 18 5.736 11.105 4.667 1.00 12.42 H new ATOM 0 HB2 HIS A 18 3.913 11.728 6.241 1.00 70.22 H new ATOM 0 HB3 HIS A 18 3.379 10.763 4.880 1.00 70.22 H new ATOM 0 HD1 HIS A 18 3.412 10.862 8.576 1.00 34.31 H new ATOM 0 HD2 HIS A 18 2.714 8.019 5.585 1.00 60.04 H new ATOM 0 HE1 HIS A 18 2.220 8.915 9.694 1.00 61.30 H new ATOM 293 N SER A 19 6.444 11.872 7.092 1.00 12.51 N ATOM 294 CA SER A 19 7.281 12.272 8.230 1.00 5.11 C ATOM 295 C SER A 19 7.223 11.279 9.406 1.00 4.22 C ATOM 296 O SER A 19 8.261 10.887 9.947 1.00 22.52 O ATOM 297 CB SER A 19 6.865 13.671 8.677 1.00 73.43 C ATOM 298 OG SER A 19 5.453 13.825 8.588 1.00 70.31 O ATOM 0 H SER A 19 5.950 12.653 6.660 1.00 12.51 H new ATOM 0 HA SER A 19 8.319 12.273 7.898 1.00 5.11 H new ATOM 0 HB2 SER A 19 7.191 13.843 9.703 1.00 73.43 H new ATOM 0 HB3 SER A 19 7.358 14.419 8.056 1.00 73.43 H new ATOM 0 HG SER A 19 5.014 13.147 9.143 1.00 70.31 H new ATOM 304 N GLN A 20 6.023 10.885 9.801 1.00 61.33 N ATOM 305 CA GLN A 20 5.866 9.912 10.871 1.00 4.22 C ATOM 306 C GLN A 20 6.101 8.496 10.345 1.00 53.34 C ATOM 307 O GLN A 20 5.186 7.856 9.826 1.00 53.14 O ATOM 308 CB GLN A 20 4.476 10.002 11.528 1.00 13.03 C ATOM 309 CG GLN A 20 4.103 11.389 12.040 1.00 44.40 C ATOM 310 CD GLN A 20 3.365 12.224 11.005 1.00 54.32 C ATOM 311 OE1 GLN A 20 3.551 12.057 9.796 1.00 4.21 O ATOM 312 NE2 GLN A 20 2.518 13.116 11.469 1.00 75.44 N ATOM 0 H GLN A 20 5.148 11.221 9.400 1.00 61.33 H new ATOM 0 HA GLN A 20 6.612 10.144 11.631 1.00 4.22 H new ATOM 0 HB2 GLN A 20 3.726 9.682 10.805 1.00 13.03 H new ATOM 0 HB3 GLN A 20 4.436 9.299 12.360 1.00 13.03 H new ATOM 0 HG2 GLN A 20 3.480 11.287 12.928 1.00 44.40 H new ATOM 0 HG3 GLN A 20 5.009 11.914 12.344 1.00 44.40 H new ATOM 0 HE21 GLN A 20 2.392 13.224 12.475 1.00 75.44 H new ATOM 0 HE22 GLN A 20 1.987 13.700 10.823 1.00 75.44 H new ATOM 321 N SER A 21 7.336 8.042 10.443 1.00 1.42 N ATOM 322 CA SER A 21 7.713 6.703 10.015 1.00 32.31 C ATOM 323 C SER A 21 8.762 6.131 10.963 1.00 52.50 C ATOM 324 O SER A 21 9.330 6.864 11.778 1.00 51.15 O ATOM 325 CB SER A 21 8.268 6.737 8.588 1.00 22.51 C ATOM 326 OG SER A 21 7.273 7.125 7.654 1.00 2.44 O ATOM 0 H SER A 21 8.109 8.590 10.822 1.00 1.42 H new ATOM 0 HA SER A 21 6.827 6.068 10.033 1.00 32.31 H new ATOM 0 HB2 SER A 21 9.106 7.432 8.539 1.00 22.51 H new ATOM 0 HB3 SER A 21 8.654 5.753 8.323 1.00 22.51 H new ATOM 0 HG SER A 21 7.501 8.001 7.278 1.00 2.44 H new ATOM 332 N ARG A 22 9.008 4.829 10.875 1.00 21.12 N ATOM 333 CA ARG A 22 10.024 4.199 11.714 1.00 60.20 C ATOM 334 C ARG A 22 11.390 4.321 11.051 1.00 54.12 C ATOM 335 O ARG A 22 12.423 4.325 11.718 1.00 23.12 O ATOM 336 CB ARG A 22 9.687 2.722 11.991 1.00 43.13 C ATOM 337 CG ARG A 22 9.724 1.826 10.763 1.00 14.34 C ATOM 338 CD ARG A 22 9.354 0.391 11.102 1.00 31.43 C ATOM 339 NE ARG A 22 10.321 -0.247 11.995 1.00 55.24 N ATOM 340 CZ ARG A 22 10.101 -1.400 12.637 1.00 32.03 C ATOM 341 NH1 ARG A 22 8.914 -1.998 12.556 1.00 41.42 N ATOM 342 NH2 ARG A 22 11.059 -1.941 13.384 1.00 73.51 N ATOM 0 H ARG A 22 8.525 4.194 10.239 1.00 21.12 H new ATOM 0 HA ARG A 22 10.044 4.716 12.673 1.00 60.20 H new ATOM 0 HB2 ARG A 22 10.389 2.335 12.729 1.00 43.13 H new ATOM 0 HB3 ARG A 22 8.694 2.666 12.436 1.00 43.13 H new ATOM 0 HG2 ARG A 22 9.036 2.211 10.011 1.00 14.34 H new ATOM 0 HG3 ARG A 22 10.722 1.851 10.325 1.00 14.34 H new ATOM 0 HD2 ARG A 22 8.369 0.375 11.569 1.00 31.43 H new ATOM 0 HD3 ARG A 22 9.280 -0.188 10.181 1.00 31.43 H new ATOM 0 HE ARG A 22 11.219 0.216 12.137 1.00 55.24 H new ATOM 0 HH11 ARG A 22 8.168 -1.577 12.003 1.00 41.42 H new ATOM 0 HH12 ARG A 22 8.751 -2.877 13.047 1.00 41.42 H new ATOM 0 HH21 ARG A 22 11.963 -1.477 13.468 1.00 73.51 H new ATOM 0 HH22 ARG A 22 10.889 -2.820 13.873 1.00 73.51 H new ATOM 356 N ARG A 23 11.378 4.430 9.733 1.00 75.22 N ATOM 357 CA ARG A 23 12.591 4.587 8.957 1.00 74.03 C ATOM 358 C ARG A 23 12.316 5.494 7.758 1.00 14.23 C ATOM 359 O ARG A 23 11.790 5.044 6.736 1.00 25.04 O ATOM 360 CB ARG A 23 13.117 3.220 8.493 1.00 43.21 C ATOM 361 CG ARG A 23 14.397 3.291 7.670 1.00 75.34 C ATOM 362 CD ARG A 23 15.548 3.876 8.471 1.00 51.42 C ATOM 363 NE ARG A 23 16.756 4.028 7.661 1.00 73.30 N ATOM 364 CZ ARG A 23 17.896 4.557 8.107 1.00 4.44 C ATOM 365 NH1 ARG A 23 17.987 4.972 9.364 1.00 34.43 N ATOM 366 NH2 ARG A 23 18.946 4.675 7.293 1.00 1.24 N ATOM 0 H ARG A 23 10.526 4.412 9.173 1.00 75.22 H new ATOM 0 HA ARG A 23 13.357 5.046 9.582 1.00 74.03 H new ATOM 0 HB2 ARG A 23 13.295 2.595 9.368 1.00 43.21 H new ATOM 0 HB3 ARG A 23 12.345 2.728 7.902 1.00 43.21 H new ATOM 0 HG2 ARG A 23 14.664 2.292 7.325 1.00 75.34 H new ATOM 0 HG3 ARG A 23 14.225 3.899 6.782 1.00 75.34 H new ATOM 0 HD2 ARG A 23 15.255 4.847 8.871 1.00 51.42 H new ATOM 0 HD3 ARG A 23 15.762 3.231 9.323 1.00 51.42 H new ATOM 0 HE ARG A 23 16.725 3.709 6.693 1.00 73.30 H new ATOM 0 HH11 ARG A 23 17.185 4.886 9.989 1.00 34.43 H new ATOM 0 HH12 ARG A 23 18.859 5.377 9.706 1.00 34.43 H new ATOM 0 HH21 ARG A 23 18.879 4.360 6.325 1.00 1.24 H new ATOM 0 HH22 ARG A 23 19.816 5.080 7.638 1.00 1.24 H new ATOM 380 N PRO A 24 12.643 6.793 7.883 1.00 72.42 N ATOM 381 CA PRO A 24 12.404 7.798 6.831 1.00 61.52 C ATOM 382 C PRO A 24 13.370 7.683 5.641 1.00 13.13 C ATOM 383 O PRO A 24 13.995 8.670 5.238 1.00 14.04 O ATOM 384 CB PRO A 24 12.621 9.143 7.560 1.00 53.33 C ATOM 385 CG PRO A 24 12.732 8.802 9.012 1.00 64.42 C ATOM 386 CD PRO A 24 13.251 7.400 9.069 1.00 43.44 C ATOM 0 HA PRO A 24 11.413 7.677 6.393 1.00 61.52 H new ATOM 0 HB2 PRO A 24 13.523 9.640 7.204 1.00 53.33 H new ATOM 0 HB3 PRO A 24 11.790 9.825 7.380 1.00 53.33 H new ATOM 0 HG2 PRO A 24 13.407 9.489 9.523 1.00 64.42 H new ATOM 0 HG3 PRO A 24 11.763 8.880 9.506 1.00 64.42 H new ATOM 0 HD2 PRO A 24 14.340 7.368 9.029 1.00 43.44 H new ATOM 0 HD3 PRO A 24 12.950 6.892 9.985 1.00 43.44 H new ATOM 394 N SER A 25 13.458 6.498 5.068 1.00 11.13 N ATOM 395 CA SER A 25 14.332 6.258 3.934 1.00 60.33 C ATOM 396 C SER A 25 13.588 5.492 2.832 1.00 24.43 C ATOM 397 O SER A 25 12.667 4.710 3.120 1.00 54.44 O ATOM 398 CB SER A 25 15.565 5.474 4.388 1.00 42.55 C ATOM 399 OG SER A 25 16.243 6.151 5.440 1.00 1.31 O ATOM 0 H SER A 25 12.930 5.680 5.372 1.00 11.13 H new ATOM 0 HA SER A 25 14.651 7.217 3.526 1.00 60.33 H new ATOM 0 HB2 SER A 25 15.265 4.481 4.724 1.00 42.55 H new ATOM 0 HB3 SER A 25 16.242 5.335 3.545 1.00 42.55 H new ATOM 0 HG SER A 25 17.026 5.629 5.713 1.00 1.31 H new ATOM 405 N SER A 26 13.971 5.732 1.582 1.00 3.50 N ATOM 406 CA SER A 26 13.365 5.059 0.438 1.00 64.53 C ATOM 407 C SER A 26 14.193 5.313 -0.820 1.00 24.14 C ATOM 408 O SER A 26 15.256 5.937 -0.759 1.00 52.20 O ATOM 409 CB SER A 26 11.928 5.556 0.224 1.00 31.54 C ATOM 410 OG SER A 26 11.902 6.941 -0.107 1.00 53.34 O ATOM 0 H SER A 26 14.706 6.394 1.334 1.00 3.50 H new ATOM 0 HA SER A 26 13.341 3.988 0.640 1.00 64.53 H new ATOM 0 HB2 SER A 26 11.457 4.981 -0.573 1.00 31.54 H new ATOM 0 HB3 SER A 26 11.344 5.385 1.128 1.00 31.54 H new ATOM 0 HG SER A 26 11.067 7.339 0.217 1.00 53.34 H new ATOM 415 N TRP A 27 13.720 4.823 -1.957 1.00 61.33 N ATOM 416 CA TRP A 27 14.405 5.061 -3.216 1.00 24.10 C ATOM 417 C TRP A 27 13.834 6.298 -3.902 1.00 1.53 C ATOM 418 O TRP A 27 14.458 6.875 -4.793 1.00 1.22 O ATOM 419 CB TRP A 27 14.324 3.834 -4.136 1.00 33.42 C ATOM 420 CG TRP A 27 12.929 3.424 -4.509 1.00 71.31 C ATOM 421 CD1 TRP A 27 12.088 2.626 -3.790 1.00 51.53 C ATOM 422 CD2 TRP A 27 12.221 3.775 -5.706 1.00 52.40 C ATOM 423 NE1 TRP A 27 10.903 2.469 -4.460 1.00 72.34 N ATOM 424 CE2 TRP A 27 10.959 3.162 -5.638 1.00 30.43 C ATOM 425 CE3 TRP A 27 12.531 4.552 -6.825 1.00 3.34 C ATOM 426 CZ2 TRP A 27 10.008 3.299 -6.644 1.00 33.30 C ATOM 427 CZ3 TRP A 27 11.587 4.687 -7.823 1.00 70.52 C ATOM 428 CH2 TRP A 27 10.339 4.062 -7.726 1.00 23.44 C ATOM 0 H TRP A 27 12.871 4.263 -2.032 1.00 61.33 H new ATOM 0 HA TRP A 27 15.459 5.239 -3.002 1.00 24.10 H new ATOM 0 HB2 TRP A 27 14.884 4.042 -5.048 1.00 33.42 H new ATOM 0 HB3 TRP A 27 14.816 2.995 -3.645 1.00 33.42 H new ATOM 0 HD1 TRP A 27 12.322 2.183 -2.833 1.00 51.53 H new ATOM 0 HE1 TRP A 27 10.106 1.923 -4.133 1.00 72.34 H new ATOM 0 HE3 TRP A 27 13.492 5.038 -6.908 1.00 3.34 H new ATOM 0 HZ2 TRP A 27 9.043 2.819 -6.571 1.00 33.30 H new ATOM 0 HZ3 TRP A 27 11.815 5.285 -8.693 1.00 70.52 H new ATOM 0 HH2 TRP A 27 9.622 4.186 -8.524 1.00 23.44 H new ATOM 439 N ARG A 28 12.652 6.704 -3.465 1.00 4.31 N ATOM 440 CA ARG A 28 11.993 7.886 -3.996 1.00 42.02 C ATOM 441 C ARG A 28 12.494 9.127 -3.279 1.00 24.23 C ATOM 442 O ARG A 28 12.631 10.198 -3.877 1.00 3.31 O ATOM 443 CB ARG A 28 10.476 7.767 -3.826 1.00 23.44 C ATOM 444 CG ARG A 28 9.806 6.827 -4.815 1.00 22.13 C ATOM 445 CD ARG A 28 9.590 7.502 -6.161 1.00 61.03 C ATOM 446 NE ARG A 28 8.682 8.649 -6.049 1.00 41.10 N ATOM 447 CZ ARG A 28 8.257 9.397 -7.072 1.00 1.13 C ATOM 448 NH1 ARG A 28 8.646 9.126 -8.315 1.00 71.43 N ATOM 449 NH2 ARG A 28 7.440 10.418 -6.846 1.00 4.33 N ATOM 0 H ARG A 28 12.125 6.225 -2.735 1.00 4.31 H new ATOM 0 HA ARG A 28 12.225 7.968 -5.058 1.00 42.02 H new ATOM 0 HB2 ARG A 28 10.262 7.423 -2.814 1.00 23.44 H new ATOM 0 HB3 ARG A 28 10.032 8.758 -3.927 1.00 23.44 H new ATOM 0 HG2 ARG A 28 10.421 5.937 -4.947 1.00 22.13 H new ATOM 0 HG3 ARG A 28 8.848 6.496 -4.414 1.00 22.13 H new ATOM 0 HD2 ARG A 28 10.548 7.833 -6.561 1.00 61.03 H new ATOM 0 HD3 ARG A 28 9.181 6.781 -6.869 1.00 61.03 H new ATOM 0 HE ARG A 28 8.349 8.895 -5.117 1.00 41.10 H new ATOM 0 HH11 ARG A 28 9.274 8.342 -8.493 1.00 71.43 H new ATOM 0 HH12 ARG A 28 8.317 9.702 -9.090 1.00 71.43 H new ATOM 0 HH21 ARG A 28 7.139 10.629 -5.895 1.00 4.33 H new ATOM 0 HH22 ARG A 28 7.113 10.991 -7.624 1.00 4.33 H new ATOM 463 N GLN A 29 12.772 8.973 -1.997 1.00 52.43 N ATOM 464 CA GLN A 29 13.244 10.065 -1.174 1.00 23.23 C ATOM 465 C GLN A 29 14.529 9.696 -0.452 1.00 20.14 C ATOM 466 O GLN A 29 14.644 8.610 0.116 1.00 1.22 O ATOM 467 CB GLN A 29 12.183 10.433 -0.138 1.00 75.21 C ATOM 468 CG GLN A 29 11.064 11.322 -0.653 1.00 13.45 C ATOM 469 CD GLN A 29 9.897 11.393 0.317 1.00 64.45 C ATOM 470 OE1 GLN A 29 9.253 12.435 0.466 1.00 74.53 O ATOM 471 NE2 GLN A 29 9.595 10.277 0.959 1.00 71.44 N ATOM 0 H GLN A 29 12.676 8.087 -1.500 1.00 52.43 H new ATOM 0 HA GLN A 29 13.440 10.914 -1.829 1.00 23.23 H new ATOM 0 HB2 GLN A 29 11.746 9.515 0.254 1.00 75.21 H new ATOM 0 HB3 GLN A 29 12.671 10.936 0.697 1.00 75.21 H new ATOM 0 HG2 GLN A 29 11.451 12.326 -0.828 1.00 13.45 H new ATOM 0 HG3 GLN A 29 10.714 10.943 -1.613 1.00 13.45 H new ATOM 0 HE21 GLN A 29 10.152 9.436 0.809 1.00 71.44 H new ATOM 0 HE22 GLN A 29 8.805 10.258 1.604 1.00 71.44 H new ATOM 480 N GLU A 30 15.495 10.597 -0.486 1.00 44.04 N ATOM 481 CA GLU A 30 16.725 10.423 0.276 1.00 0.22 C ATOM 482 C GLU A 30 16.403 10.614 1.755 1.00 13.24 C ATOM 483 O GLU A 30 17.115 10.145 2.643 1.00 51.50 O ATOM 484 CB GLU A 30 17.777 11.432 -0.190 1.00 42.34 C ATOM 485 CG GLU A 30 17.323 12.878 -0.089 1.00 71.32 C ATOM 486 CD GLU A 30 18.279 13.832 -0.754 1.00 34.43 C ATOM 487 OE1 GLU A 30 19.362 14.076 -0.189 1.00 42.52 O ATOM 488 OE2 GLU A 30 17.953 14.347 -1.845 1.00 10.34 O ATOM 0 H GLU A 30 15.454 11.457 -1.032 1.00 44.04 H new ATOM 0 HA GLU A 30 17.131 9.424 0.119 1.00 0.22 H new ATOM 0 HB2 GLU A 30 18.681 11.302 0.405 1.00 42.34 H new ATOM 0 HB3 GLU A 30 18.042 11.215 -1.225 1.00 42.34 H new ATOM 0 HG2 GLU A 30 16.338 12.979 -0.546 1.00 71.32 H new ATOM 0 HG3 GLU A 30 17.216 13.149 0.961 1.00 71.32 H new ATOM 495 N LYS A 31 15.311 11.324 1.981 1.00 23.44 N ATOM 496 CA LYS A 31 14.753 11.563 3.286 1.00 55.25 C ATOM 497 C LYS A 31 13.316 12.030 3.093 1.00 70.34 C ATOM 498 O LYS A 31 13.040 12.838 2.199 1.00 31.12 O ATOM 499 CB LYS A 31 15.572 12.610 4.069 1.00 35.11 C ATOM 500 CG LYS A 31 15.581 14.001 3.453 1.00 32.44 C ATOM 501 CD LYS A 31 16.357 14.979 4.317 1.00 22.04 C ATOM 502 CE LYS A 31 16.252 16.402 3.788 1.00 62.45 C ATOM 503 NZ LYS A 31 16.842 16.546 2.433 1.00 22.11 N ATOM 0 H LYS A 31 14.776 11.761 1.231 1.00 23.44 H new ATOM 0 HA LYS A 31 14.781 10.646 3.875 1.00 55.25 H new ATOM 0 HB2 LYS A 31 15.175 12.679 5.082 1.00 35.11 H new ATOM 0 HB3 LYS A 31 16.600 12.258 4.153 1.00 35.11 H new ATOM 0 HG2 LYS A 31 16.025 13.958 2.459 1.00 32.44 H new ATOM 0 HG3 LYS A 31 14.557 14.354 3.330 1.00 32.44 H new ATOM 0 HD2 LYS A 31 15.979 14.942 5.339 1.00 22.04 H new ATOM 0 HD3 LYS A 31 17.405 14.681 4.354 1.00 22.04 H new ATOM 0 HE2 LYS A 31 15.204 16.700 3.759 1.00 62.45 H new ATOM 0 HE3 LYS A 31 16.757 17.081 4.475 1.00 62.45 H new ATOM 0 HZ1 LYS A 31 16.808 17.544 2.144 1.00 22.11 H new ATOM 0 HZ2 LYS A 31 17.831 16.224 2.449 1.00 22.11 H new ATOM 0 HZ3 LYS A 31 16.301 15.971 1.756 1.00 22.11 H new ATOM 517 N ILE A 32 12.402 11.507 3.884 1.00 43.21 N ATOM 518 CA ILE A 32 11.000 11.864 3.738 1.00 5.33 C ATOM 519 C ILE A 32 10.783 13.331 4.064 1.00 51.32 C ATOM 520 O ILE A 32 10.887 13.747 5.218 1.00 43.34 O ATOM 521 CB ILE A 32 10.080 11.001 4.617 1.00 50.25 C ATOM 522 CG1 ILE A 32 10.319 9.514 4.342 1.00 23.21 C ATOM 523 CG2 ILE A 32 8.626 11.363 4.346 1.00 75.54 C ATOM 524 CD1 ILE A 32 9.457 8.595 5.180 1.00 72.43 C ATOM 0 H ILE A 32 12.599 10.839 4.629 1.00 43.21 H new ATOM 0 HA ILE A 32 10.738 11.677 2.697 1.00 5.33 H new ATOM 0 HB ILE A 32 10.306 11.195 5.665 1.00 50.25 H new ATOM 0 HG12 ILE A 32 10.130 9.314 3.287 1.00 23.21 H new ATOM 0 HG13 ILE A 32 11.368 9.283 4.527 1.00 23.21 H new ATOM 0 HG21 ILE A 32 7.976 10.750 4.970 1.00 75.54 H new ATOM 0 HG22 ILE A 32 8.464 12.416 4.578 1.00 75.54 H new ATOM 0 HG23 ILE A 32 8.396 11.183 3.296 1.00 75.54 H new ATOM 0 HD11 ILE A 32 9.681 7.558 4.931 1.00 72.43 H new ATOM 0 HD12 ILE A 32 9.662 8.767 6.237 1.00 72.43 H new ATOM 0 HD13 ILE A 32 8.405 8.797 4.977 1.00 72.43 H new ATOM 536 N THR A 33 10.494 14.110 3.042 1.00 10.31 N ATOM 537 CA THR A 33 10.305 15.532 3.211 1.00 52.43 C ATOM 538 C THR A 33 8.814 15.896 3.207 1.00 62.34 C ATOM 539 O THR A 33 8.432 17.017 3.556 1.00 44.43 O ATOM 540 CB THR A 33 11.045 16.305 2.101 1.00 22.51 C ATOM 541 OG1 THR A 33 12.331 15.694 1.879 1.00 51.24 O ATOM 542 CG2 THR A 33 11.251 17.763 2.494 1.00 5.33 C ATOM 0 H THR A 33 10.385 13.779 2.083 1.00 10.31 H new ATOM 0 HA THR A 33 10.720 15.815 4.178 1.00 52.43 H new ATOM 0 HB THR A 33 10.442 16.271 1.194 1.00 22.51 H new ATOM 0 HG1 THR A 33 12.806 16.180 1.173 1.00 51.24 H new ATOM 0 HG21 THR A 33 11.775 18.285 1.693 1.00 5.33 H new ATOM 0 HG22 THR A 33 10.283 18.235 2.662 1.00 5.33 H new ATOM 0 HG23 THR A 33 11.843 17.813 3.408 1.00 5.33 H new ATOM 550 N ARG A 34 7.976 14.947 2.822 1.00 54.53 N ATOM 551 CA ARG A 34 6.542 15.181 2.801 1.00 21.11 C ATOM 552 C ARG A 34 5.933 14.799 4.150 1.00 13.31 C ATOM 553 O ARG A 34 6.369 13.836 4.793 1.00 0.43 O ATOM 554 CB ARG A 34 5.870 14.387 1.668 1.00 72.11 C ATOM 555 CG ARG A 34 5.677 12.910 1.974 1.00 0.14 C ATOM 556 CD ARG A 34 5.003 12.180 0.828 1.00 14.54 C ATOM 557 NE ARG A 34 5.924 11.909 -0.275 1.00 43.10 N ATOM 558 CZ ARG A 34 6.386 10.692 -0.576 1.00 45.31 C ATOM 559 NH1 ARG A 34 6.073 9.656 0.186 1.00 52.24 N ATOM 560 NH2 ARG A 34 7.178 10.516 -1.624 1.00 23.00 N ATOM 0 H ARG A 34 8.261 14.015 2.522 1.00 54.53 H new ATOM 0 HA ARG A 34 6.369 16.241 2.618 1.00 21.11 H new ATOM 0 HB2 ARG A 34 4.899 14.832 1.453 1.00 72.11 H new ATOM 0 HB3 ARG A 34 6.472 14.484 0.764 1.00 72.11 H new ATOM 0 HG2 ARG A 34 6.645 12.452 2.178 1.00 0.14 H new ATOM 0 HG3 ARG A 34 5.077 12.801 2.877 1.00 0.14 H new ATOM 0 HD2 ARG A 34 4.589 11.240 1.192 1.00 14.54 H new ATOM 0 HD3 ARG A 34 4.167 12.776 0.462 1.00 14.54 H new ATOM 0 HE ARG A 34 6.232 12.695 -0.848 1.00 43.10 H new ATOM 0 HH11 ARG A 34 5.478 9.786 1.004 1.00 52.24 H new ATOM 0 HH12 ARG A 34 6.427 8.728 -0.045 1.00 52.24 H new ATOM 0 HH21 ARG A 34 7.438 11.312 -2.206 1.00 23.00 H new ATOM 0 HH22 ARG A 34 7.527 9.584 -1.848 1.00 23.00 H new ATOM 574 N THR A 35 4.945 15.546 4.579 1.00 44.10 N ATOM 575 CA THR A 35 4.295 15.271 5.843 1.00 63.04 C ATOM 576 C THR A 35 3.116 14.302 5.644 1.00 73.44 C ATOM 577 O THR A 35 2.814 13.901 4.512 1.00 32.34 O ATOM 578 CB THR A 35 3.813 16.579 6.528 1.00 71.44 C ATOM 579 OG1 THR A 35 3.357 16.305 7.855 1.00 14.00 O ATOM 580 CG2 THR A 35 2.695 17.235 5.736 1.00 25.40 C ATOM 0 H THR A 35 4.571 16.349 4.074 1.00 44.10 H new ATOM 0 HA THR A 35 5.028 14.801 6.499 1.00 63.04 H new ATOM 0 HB THR A 35 4.660 17.264 6.567 1.00 71.44 H new ATOM 0 HG1 THR A 35 3.058 17.138 8.276 1.00 14.00 H new ATOM 0 HG21 THR A 35 2.379 18.148 6.241 1.00 25.40 H new ATOM 0 HG22 THR A 35 3.052 17.478 4.735 1.00 25.40 H new ATOM 0 HG23 THR A 35 1.850 16.550 5.663 1.00 25.40 H new ATOM 588 N LYS A 36 2.464 13.923 6.742 1.00 43.31 N ATOM 589 CA LYS A 36 1.335 12.998 6.693 1.00 11.05 C ATOM 590 C LYS A 36 0.195 13.573 5.865 1.00 62.11 C ATOM 591 O LYS A 36 -0.465 12.853 5.116 1.00 23.32 O ATOM 592 CB LYS A 36 0.841 12.676 8.104 1.00 55.22 C ATOM 593 CG LYS A 36 -0.320 11.694 8.140 1.00 50.11 C ATOM 594 CD LYS A 36 -0.823 11.481 9.554 1.00 25.33 C ATOM 595 CE LYS A 36 -2.035 10.566 9.573 1.00 1.01 C ATOM 596 NZ LYS A 36 -2.599 10.421 10.933 1.00 0.40 N ATOM 0 H LYS A 36 2.701 14.245 7.681 1.00 43.31 H new ATOM 0 HA LYS A 36 1.679 12.078 6.220 1.00 11.05 H new ATOM 0 HB2 LYS A 36 1.668 12.267 8.684 1.00 55.22 H new ATOM 0 HB3 LYS A 36 0.537 13.602 8.592 1.00 55.22 H new ATOM 0 HG2 LYS A 36 -1.132 12.066 7.516 1.00 50.11 H new ATOM 0 HG3 LYS A 36 -0.005 10.740 7.717 1.00 50.11 H new ATOM 0 HD2 LYS A 36 -0.029 11.050 10.164 1.00 25.33 H new ATOM 0 HD3 LYS A 36 -1.082 12.442 9.999 1.00 25.33 H new ATOM 0 HE2 LYS A 36 -2.799 10.962 8.904 1.00 1.01 H new ATOM 0 HE3 LYS A 36 -1.754 9.585 9.190 1.00 1.01 H new ATOM 0 HZ1 LYS A 36 -3.424 9.789 10.901 1.00 0.40 H new ATOM 0 HZ2 LYS A 36 -1.879 10.019 11.566 1.00 0.40 H new ATOM 0 HZ3 LYS A 36 -2.891 11.354 11.289 1.00 0.40 H new ATOM 610 N GLU A 37 -0.020 14.872 6.000 1.00 1.33 N ATOM 611 CA GLU A 37 -1.073 15.560 5.269 1.00 13.23 C ATOM 612 C GLU A 37 -0.894 15.380 3.766 1.00 64.02 C ATOM 613 O GLU A 37 -1.806 14.921 3.076 1.00 43.14 O ATOM 614 CB GLU A 37 -1.072 17.044 5.620 1.00 31.13 C ATOM 615 CG GLU A 37 -1.288 17.328 7.094 1.00 13.42 C ATOM 616 CD GLU A 37 -2.630 16.843 7.585 1.00 41.50 C ATOM 617 OE1 GLU A 37 -3.647 17.506 7.293 1.00 31.14 O ATOM 618 OE2 GLU A 37 -2.678 15.792 8.259 1.00 22.02 O ATOM 0 H GLU A 37 0.526 15.476 6.615 1.00 1.33 H new ATOM 0 HA GLU A 37 -2.030 15.125 5.557 1.00 13.23 H new ATOM 0 HB2 GLU A 37 -0.121 17.479 5.312 1.00 31.13 H new ATOM 0 HB3 GLU A 37 -1.852 17.543 5.046 1.00 31.13 H new ATOM 0 HG2 GLU A 37 -0.498 16.849 7.673 1.00 13.42 H new ATOM 0 HG3 GLU A 37 -1.206 18.401 7.270 1.00 13.42 H new ATOM 625 N GLU A 38 0.297 15.718 3.281 1.00 44.11 N ATOM 626 CA GLU A 38 0.631 15.607 1.862 1.00 54.15 C ATOM 627 C GLU A 38 0.512 14.165 1.388 1.00 50.04 C ATOM 628 O GLU A 38 0.046 13.901 0.282 1.00 75.34 O ATOM 629 CB GLU A 38 2.050 16.110 1.620 1.00 10.55 C ATOM 630 CG GLU A 38 2.273 17.547 2.049 1.00 61.51 C ATOM 631 CD GLU A 38 3.723 17.948 1.968 1.00 61.10 C ATOM 632 OE1 GLU A 38 4.466 17.696 2.934 1.00 72.11 O ATOM 633 OE2 GLU A 38 4.135 18.510 0.935 1.00 63.30 O ATOM 0 H GLU A 38 1.058 16.076 3.858 1.00 44.11 H new ATOM 0 HA GLU A 38 -0.073 16.218 1.297 1.00 54.15 H new ATOM 0 HB2 GLU A 38 2.749 15.468 2.156 1.00 10.55 H new ATOM 0 HB3 GLU A 38 2.282 16.018 0.559 1.00 10.55 H new ATOM 0 HG2 GLU A 38 1.679 18.209 1.418 1.00 61.51 H new ATOM 0 HG3 GLU A 38 1.918 17.678 3.071 1.00 61.51 H new ATOM 640 N ALA A 39 0.936 13.238 2.236 1.00 11.44 N ATOM 641 CA ALA A 39 0.870 11.822 1.916 1.00 41.31 C ATOM 642 C ALA A 39 -0.570 11.382 1.692 1.00 63.22 C ATOM 643 O ALA A 39 -0.866 10.674 0.731 1.00 54.22 O ATOM 644 CB ALA A 39 1.514 10.997 3.019 1.00 20.11 C ATOM 0 H ALA A 39 1.330 13.444 3.154 1.00 11.44 H new ATOM 0 HA ALA A 39 1.423 11.657 0.991 1.00 41.31 H new ATOM 0 HB1 ALA A 39 1.456 9.939 2.763 1.00 20.11 H new ATOM 0 HB2 ALA A 39 2.559 11.287 3.127 1.00 20.11 H new ATOM 0 HB3 ALA A 39 0.989 11.173 3.958 1.00 20.11 H new ATOM 650 N LEU A 40 -1.466 11.821 2.572 1.00 14.23 N ATOM 651 CA LEU A 40 -2.875 11.476 2.453 1.00 12.43 C ATOM 652 C LEU A 40 -3.478 12.121 1.207 1.00 55.30 C ATOM 653 O LEU A 40 -4.346 11.536 0.554 1.00 61.05 O ATOM 654 CB LEU A 40 -3.649 11.894 3.708 1.00 1.01 C ATOM 655 CG LEU A 40 -5.125 11.473 3.752 1.00 44.51 C ATOM 656 CD1 LEU A 40 -5.259 9.958 3.692 1.00 21.02 C ATOM 657 CD2 LEU A 40 -5.800 12.016 5.001 1.00 41.24 C ATOM 0 H LEU A 40 -1.240 12.414 3.371 1.00 14.23 H new ATOM 0 HA LEU A 40 -2.954 10.393 2.355 1.00 12.43 H new ATOM 0 HB2 LEU A 40 -3.145 11.476 4.579 1.00 1.01 H new ATOM 0 HB3 LEU A 40 -3.597 12.979 3.800 1.00 1.01 H new ATOM 0 HG LEU A 40 -5.622 11.895 2.879 1.00 44.51 H new ATOM 0 HD11 LEU A 40 -6.314 9.684 3.725 1.00 21.02 H new ATOM 0 HD12 LEU A 40 -4.817 9.590 2.766 1.00 21.02 H new ATOM 0 HD13 LEU A 40 -4.742 9.513 4.542 1.00 21.02 H new ATOM 0 HD21 LEU A 40 -6.845 11.707 5.013 1.00 41.24 H new ATOM 0 HD22 LEU A 40 -5.296 11.627 5.886 1.00 41.24 H new ATOM 0 HD23 LEU A 40 -5.744 13.105 5.001 1.00 41.24 H new ATOM 669 N GLU A 41 -3.000 13.328 0.873 1.00 13.12 N ATOM 670 CA GLU A 41 -3.450 14.022 -0.332 1.00 74.43 C ATOM 671 C GLU A 41 -3.145 13.176 -1.556 1.00 63.44 C ATOM 672 O GLU A 41 -3.969 13.050 -2.468 1.00 51.33 O ATOM 673 CB GLU A 41 -2.766 15.387 -0.475 1.00 74.21 C ATOM 674 CG GLU A 41 -3.082 16.372 0.634 1.00 13.53 C ATOM 675 CD GLU A 41 -2.530 17.753 0.348 1.00 62.23 C ATOM 676 OE1 GLU A 41 -1.350 18.013 0.669 1.00 60.44 O ATOM 677 OE2 GLU A 41 -3.275 18.585 -0.208 1.00 33.12 O ATOM 0 H GLU A 41 -2.306 13.838 1.420 1.00 13.12 H new ATOM 0 HA GLU A 41 -4.525 14.182 -0.248 1.00 74.43 H new ATOM 0 HB2 GLU A 41 -1.687 15.236 -0.512 1.00 74.21 H new ATOM 0 HB3 GLU A 41 -3.059 15.827 -1.428 1.00 74.21 H new ATOM 0 HG2 GLU A 41 -4.162 16.435 0.765 1.00 13.53 H new ATOM 0 HG3 GLU A 41 -2.668 16.004 1.573 1.00 13.53 H new ATOM 684 N LEU A 42 -1.954 12.596 -1.567 1.00 42.33 N ATOM 685 CA LEU A 42 -1.535 11.732 -2.649 1.00 51.41 C ATOM 686 C LEU A 42 -2.371 10.461 -2.663 1.00 23.24 C ATOM 687 O LEU A 42 -2.860 10.049 -3.711 1.00 64.23 O ATOM 688 CB LEU A 42 -0.048 11.387 -2.520 1.00 2.23 C ATOM 689 CG LEU A 42 0.922 12.571 -2.581 1.00 20.33 C ATOM 690 CD1 LEU A 42 2.355 12.095 -2.417 1.00 22.03 C ATOM 691 CD2 LEU A 42 0.760 13.333 -3.890 1.00 33.34 C ATOM 0 H LEU A 42 -1.259 12.713 -0.830 1.00 42.33 H new ATOM 0 HA LEU A 42 -1.685 12.262 -3.590 1.00 51.41 H new ATOM 0 HB2 LEU A 42 0.104 10.867 -1.574 1.00 2.23 H new ATOM 0 HB3 LEU A 42 0.213 10.687 -3.314 1.00 2.23 H new ATOM 0 HG LEU A 42 0.687 13.248 -1.760 1.00 20.33 H new ATOM 0 HD11 LEU A 42 3.030 12.950 -2.463 1.00 22.03 H new ATOM 0 HD12 LEU A 42 2.465 11.597 -1.454 1.00 22.03 H new ATOM 0 HD13 LEU A 42 2.600 11.396 -3.217 1.00 22.03 H new ATOM 0 HD21 LEU A 42 1.458 14.170 -3.913 1.00 33.34 H new ATOM 0 HD22 LEU A 42 0.966 12.666 -4.727 1.00 33.34 H new ATOM 0 HD23 LEU A 42 -0.260 13.709 -3.968 1.00 33.34 H new ATOM 703 N ILE A 43 -2.543 9.857 -1.484 1.00 1.10 N ATOM 704 CA ILE A 43 -3.335 8.632 -1.337 1.00 34.12 C ATOM 705 C ILE A 43 -4.722 8.799 -1.952 1.00 61.01 C ATOM 706 O ILE A 43 -5.105 8.044 -2.850 1.00 64.12 O ATOM 707 CB ILE A 43 -3.478 8.223 0.157 1.00 71.22 C ATOM 708 CG1 ILE A 43 -2.117 7.833 0.746 1.00 11.51 C ATOM 709 CG2 ILE A 43 -4.483 7.085 0.328 1.00 1.32 C ATOM 710 CD1 ILE A 43 -1.469 6.640 0.071 1.00 72.42 C ATOM 0 H ILE A 43 -2.141 10.199 -0.611 1.00 1.10 H new ATOM 0 HA ILE A 43 -2.802 7.842 -1.866 1.00 34.12 H new ATOM 0 HB ILE A 43 -3.856 9.088 0.702 1.00 71.22 H new ATOM 0 HG12 ILE A 43 -1.444 8.687 0.674 1.00 11.51 H new ATOM 0 HG13 ILE A 43 -2.242 7.614 1.806 1.00 11.51 H new ATOM 0 HG21 ILE A 43 -4.560 6.823 1.383 1.00 1.32 H new ATOM 0 HG22 ILE A 43 -5.459 7.403 -0.039 1.00 1.32 H new ATOM 0 HG23 ILE A 43 -4.148 6.216 -0.238 1.00 1.32 H new ATOM 0 HD11 ILE A 43 -0.511 6.429 0.546 1.00 72.42 H new ATOM 0 HD12 ILE A 43 -2.120 5.771 0.165 1.00 72.42 H new ATOM 0 HD13 ILE A 43 -1.310 6.861 -0.984 1.00 72.42 H new ATOM 722 N ASN A 44 -5.459 9.799 -1.482 1.00 22.13 N ATOM 723 CA ASN A 44 -6.800 10.066 -1.996 1.00 4.22 C ATOM 724 C ASN A 44 -6.754 10.383 -3.476 1.00 12.54 C ATOM 725 O ASN A 44 -7.606 9.931 -4.243 1.00 2.02 O ATOM 726 CB ASN A 44 -7.464 11.216 -1.233 1.00 34.33 C ATOM 727 CG ASN A 44 -7.880 10.825 0.170 1.00 32.41 C ATOM 728 OD1 ASN A 44 -8.202 9.667 0.437 1.00 50.32 O ATOM 729 ND2 ASN A 44 -7.878 11.784 1.074 1.00 45.52 N ATOM 0 H ASN A 44 -5.153 10.438 -0.748 1.00 22.13 H new ATOM 0 HA ASN A 44 -7.396 9.166 -1.849 1.00 4.22 H new ATOM 0 HB2 ASN A 44 -6.774 12.058 -1.181 1.00 34.33 H new ATOM 0 HB3 ASN A 44 -8.340 11.555 -1.786 1.00 34.33 H new ATOM 0 HD21 ASN A 44 -8.150 11.579 2.035 1.00 45.52 H new ATOM 0 HD22 ASN A 44 -7.604 12.731 0.812 1.00 45.52 H new ATOM 736 N GLY A 45 -5.740 11.144 -3.876 1.00 35.23 N ATOM 737 CA GLY A 45 -5.580 11.503 -5.266 1.00 22.32 C ATOM 738 C GLY A 45 -5.469 10.289 -6.162 1.00 74.01 C ATOM 739 O GLY A 45 -6.194 10.177 -7.151 1.00 71.34 O ATOM 0 H GLY A 45 -5.024 11.519 -3.254 1.00 35.23 H new ATOM 0 HA2 GLY A 45 -6.429 12.109 -5.583 1.00 22.32 H new ATOM 0 HA3 GLY A 45 -4.688 12.119 -5.380 1.00 22.32 H new ATOM 743 N TYR A 46 -4.577 9.366 -5.806 1.00 71.32 N ATOM 744 CA TYR A 46 -4.375 8.154 -6.594 1.00 53.30 C ATOM 745 C TYR A 46 -5.660 7.342 -6.669 1.00 33.51 C ATOM 746 O TYR A 46 -6.055 6.897 -7.746 1.00 42.55 O ATOM 747 CB TYR A 46 -3.243 7.292 -6.015 1.00 62.41 C ATOM 748 CG TYR A 46 -1.908 8.004 -5.906 1.00 65.51 C ATOM 749 CD1 TYR A 46 -1.458 8.852 -6.913 1.00 51.23 C ATOM 750 CD2 TYR A 46 -1.104 7.834 -4.787 1.00 22.32 C ATOM 751 CE1 TYR A 46 -0.244 9.506 -6.804 1.00 62.03 C ATOM 752 CE2 TYR A 46 0.105 8.488 -4.671 1.00 74.41 C ATOM 753 CZ TYR A 46 0.531 9.321 -5.679 1.00 72.21 C ATOM 754 OH TYR A 46 1.737 9.974 -5.560 1.00 22.20 O ATOM 0 H TYR A 46 -3.984 9.435 -4.979 1.00 71.32 H new ATOM 0 HA TYR A 46 -4.090 8.461 -7.600 1.00 53.30 H new ATOM 0 HB2 TYR A 46 -3.538 6.944 -5.025 1.00 62.41 H new ATOM 0 HB3 TYR A 46 -3.120 6.408 -6.640 1.00 62.41 H new ATOM 0 HD1 TYR A 46 -2.066 9.002 -7.793 1.00 51.23 H new ATOM 0 HD2 TYR A 46 -1.431 7.178 -3.994 1.00 22.32 H new ATOM 0 HE1 TYR A 46 0.095 10.158 -7.596 1.00 62.03 H new ATOM 0 HE2 TYR A 46 0.715 8.346 -3.791 1.00 74.41 H new ATOM 0 HH TYR A 46 2.156 9.734 -4.707 1.00 22.20 H new ATOM 764 N ILE A 47 -6.319 7.170 -5.521 1.00 44.10 N ATOM 765 CA ILE A 47 -7.574 6.420 -5.458 1.00 13.53 C ATOM 766 C ILE A 47 -8.615 7.037 -6.391 1.00 64.23 C ATOM 767 O ILE A 47 -9.279 6.329 -7.152 1.00 30.25 O ATOM 768 CB ILE A 47 -8.140 6.367 -4.013 1.00 5.13 C ATOM 769 CG1 ILE A 47 -7.149 5.662 -3.078 1.00 33.10 C ATOM 770 CG2 ILE A 47 -9.492 5.655 -3.990 1.00 21.33 C ATOM 771 CD1 ILE A 47 -7.579 5.650 -1.624 1.00 50.24 C ATOM 0 H ILE A 47 -6.004 7.540 -4.624 1.00 44.10 H new ATOM 0 HA ILE A 47 -7.357 5.401 -5.778 1.00 13.53 H new ATOM 0 HB ILE A 47 -8.284 7.389 -3.662 1.00 5.13 H new ATOM 0 HG12 ILE A 47 -7.014 4.634 -3.415 1.00 33.10 H new ATOM 0 HG13 ILE A 47 -6.179 6.153 -3.156 1.00 33.10 H new ATOM 0 HG21 ILE A 47 -9.872 5.628 -2.969 1.00 21.33 H new ATOM 0 HG22 ILE A 47 -10.197 6.192 -4.625 1.00 21.33 H new ATOM 0 HG23 ILE A 47 -9.373 4.637 -4.360 1.00 21.33 H new ATOM 0 HD11 ILE A 47 -6.827 5.134 -1.027 1.00 50.24 H new ATOM 0 HD12 ILE A 47 -7.686 6.675 -1.268 1.00 50.24 H new ATOM 0 HD13 ILE A 47 -8.534 5.132 -1.531 1.00 50.24 H new ATOM 783 N GLN A 48 -8.734 8.360 -6.344 1.00 11.13 N ATOM 784 CA GLN A 48 -9.673 9.080 -7.202 1.00 34.14 C ATOM 785 C GLN A 48 -9.380 8.810 -8.673 1.00 31.00 C ATOM 786 O GLN A 48 -10.291 8.550 -9.458 1.00 53.14 O ATOM 787 CB GLN A 48 -9.615 10.587 -6.930 1.00 72.34 C ATOM 788 CG GLN A 48 -10.166 11.001 -5.574 1.00 15.20 C ATOM 789 CD GLN A 48 -11.662 10.768 -5.433 1.00 11.12 C ATOM 790 OE1 GLN A 48 -12.151 10.471 -4.342 1.00 33.22 O ATOM 791 NE2 GLN A 48 -12.406 10.942 -6.513 1.00 72.22 N ATOM 0 H GLN A 48 -8.192 8.958 -5.720 1.00 11.13 H new ATOM 0 HA GLN A 48 -10.676 8.720 -6.971 1.00 34.14 H new ATOM 0 HB2 GLN A 48 -8.579 10.918 -7.004 1.00 72.34 H new ATOM 0 HB3 GLN A 48 -10.172 11.107 -7.709 1.00 72.34 H new ATOM 0 HG2 GLN A 48 -9.644 10.447 -4.794 1.00 15.20 H new ATOM 0 HG3 GLN A 48 -9.953 12.058 -5.411 1.00 15.20 H new ATOM 0 HE21 GLN A 48 -11.967 11.188 -7.400 1.00 72.22 H new ATOM 0 HE22 GLN A 48 -13.418 10.831 -6.458 1.00 72.22 H new ATOM 800 N LYS A 49 -8.103 8.845 -9.037 1.00 64.13 N ATOM 801 CA LYS A 49 -7.693 8.618 -10.417 1.00 3.15 C ATOM 802 C LYS A 49 -8.016 7.197 -10.857 1.00 3.11 C ATOM 803 O LYS A 49 -8.439 6.971 -11.989 1.00 22.40 O ATOM 804 CB LYS A 49 -6.201 8.899 -10.591 1.00 23.00 C ATOM 805 CG LYS A 49 -5.789 10.295 -10.152 1.00 43.42 C ATOM 806 CD LYS A 49 -4.334 10.582 -10.475 1.00 22.22 C ATOM 807 CE LYS A 49 -4.127 10.802 -11.966 1.00 73.34 C ATOM 808 NZ LYS A 49 -4.923 11.950 -12.480 1.00 22.23 N ATOM 0 H LYS A 49 -7.333 9.029 -8.394 1.00 64.13 H new ATOM 0 HA LYS A 49 -8.253 9.307 -11.048 1.00 3.15 H new ATOM 0 HB2 LYS A 49 -5.633 8.165 -10.020 1.00 23.00 H new ATOM 0 HB3 LYS A 49 -5.934 8.763 -11.639 1.00 23.00 H new ATOM 0 HG2 LYS A 49 -6.423 11.033 -10.644 1.00 43.42 H new ATOM 0 HG3 LYS A 49 -5.951 10.401 -9.079 1.00 43.42 H new ATOM 0 HD2 LYS A 49 -4.006 11.465 -9.927 1.00 22.22 H new ATOM 0 HD3 LYS A 49 -3.715 9.750 -10.139 1.00 22.22 H new ATOM 0 HE2 LYS A 49 -3.069 10.978 -12.162 1.00 73.34 H new ATOM 0 HE3 LYS A 49 -4.405 9.898 -12.507 1.00 73.34 H new ATOM 0 HZ1 LYS A 49 -4.570 12.225 -13.419 1.00 22.23 H new ATOM 0 HZ2 LYS A 49 -5.923 11.674 -12.553 1.00 22.23 H new ATOM 0 HZ3 LYS A 49 -4.833 12.755 -11.827 1.00 22.23 H new ATOM 822 N ILE A 50 -7.823 6.246 -9.959 1.00 40.31 N ATOM 823 CA ILE A 50 -8.111 4.850 -10.258 1.00 2.41 C ATOM 824 C ILE A 50 -9.617 4.630 -10.400 1.00 61.23 C ATOM 825 O ILE A 50 -10.068 3.909 -11.293 1.00 71.01 O ATOM 826 CB ILE A 50 -7.548 3.909 -9.168 1.00 3.22 C ATOM 827 CG1 ILE A 50 -6.037 4.100 -9.039 1.00 61.54 C ATOM 828 CG2 ILE A 50 -7.873 2.454 -9.496 1.00 10.11 C ATOM 829 CD1 ILE A 50 -5.426 3.342 -7.886 1.00 53.32 C ATOM 0 H ILE A 50 -7.469 6.413 -9.017 1.00 40.31 H new ATOM 0 HA ILE A 50 -7.622 4.612 -11.203 1.00 2.41 H new ATOM 0 HB ILE A 50 -8.017 4.159 -8.216 1.00 3.22 H new ATOM 0 HG12 ILE A 50 -5.559 3.782 -9.965 1.00 61.54 H new ATOM 0 HG13 ILE A 50 -5.823 5.162 -8.918 1.00 61.54 H new ATOM 0 HG21 ILE A 50 -7.469 1.807 -8.718 1.00 10.11 H new ATOM 0 HG22 ILE A 50 -8.954 2.326 -9.549 1.00 10.11 H new ATOM 0 HG23 ILE A 50 -7.428 2.189 -10.455 1.00 10.11 H new ATOM 0 HD11 ILE A 50 -4.352 3.526 -7.858 1.00 53.32 H new ATOM 0 HD12 ILE A 50 -5.876 3.677 -6.951 1.00 53.32 H new ATOM 0 HD13 ILE A 50 -5.608 2.275 -8.015 1.00 53.32 H new ATOM 841 N LYS A 51 -10.390 5.264 -9.527 1.00 44.43 N ATOM 842 CA LYS A 51 -11.842 5.152 -9.575 1.00 34.11 C ATOM 843 C LYS A 51 -12.397 5.799 -10.835 1.00 32.44 C ATOM 844 O LYS A 51 -13.294 5.253 -11.476 1.00 54.35 O ATOM 845 CB LYS A 51 -12.487 5.767 -8.331 1.00 51.12 C ATOM 846 CG LYS A 51 -12.207 5.005 -7.038 1.00 73.20 C ATOM 847 CD LYS A 51 -12.690 3.557 -7.110 1.00 33.02 C ATOM 848 CE LYS A 51 -14.189 3.471 -7.385 1.00 2.55 C ATOM 849 NZ LYS A 51 -14.663 2.066 -7.422 1.00 43.22 N ATOM 0 H LYS A 51 -10.036 5.860 -8.779 1.00 44.43 H new ATOM 0 HA LYS A 51 -12.089 4.091 -9.596 1.00 34.11 H new ATOM 0 HB2 LYS A 51 -12.131 6.791 -8.220 1.00 51.12 H new ATOM 0 HB3 LYS A 51 -13.565 5.819 -8.483 1.00 51.12 H new ATOM 0 HG2 LYS A 51 -11.137 5.020 -6.833 1.00 73.20 H new ATOM 0 HG3 LYS A 51 -12.698 5.510 -6.206 1.00 73.20 H new ATOM 0 HD2 LYS A 51 -12.146 3.031 -7.895 1.00 33.02 H new ATOM 0 HD3 LYS A 51 -12.463 3.051 -6.171 1.00 33.02 H new ATOM 0 HE2 LYS A 51 -14.732 4.017 -6.614 1.00 2.55 H new ATOM 0 HE3 LYS A 51 -14.412 3.955 -8.336 1.00 2.55 H new ATOM 0 HZ1 LYS A 51 -15.686 2.049 -7.611 1.00 43.22 H new ATOM 0 HZ2 LYS A 51 -14.163 1.551 -8.175 1.00 43.22 H new ATOM 0 HZ3 LYS A 51 -14.473 1.611 -6.506 1.00 43.22 H new ATOM 863 N SER A 52 -11.860 6.960 -11.191 1.00 11.44 N ATOM 864 CA SER A 52 -12.272 7.653 -12.406 1.00 40.12 C ATOM 865 C SER A 52 -11.861 6.851 -13.639 1.00 30.24 C ATOM 866 O SER A 52 -12.488 6.941 -14.694 1.00 13.41 O ATOM 867 CB SER A 52 -11.647 9.046 -12.460 1.00 60.25 C ATOM 868 OG SER A 52 -12.018 9.822 -11.329 1.00 10.24 O ATOM 0 H SER A 52 -11.138 7.442 -10.655 1.00 11.44 H new ATOM 0 HA SER A 52 -13.357 7.753 -12.395 1.00 40.12 H new ATOM 0 HB2 SER A 52 -10.561 8.958 -12.504 1.00 60.25 H new ATOM 0 HB3 SER A 52 -11.963 9.554 -13.371 1.00 60.25 H new ATOM 0 HG SER A 52 -11.511 9.522 -10.546 1.00 10.24 H new ATOM 874 N GLY A 53 -10.808 6.063 -13.490 1.00 1.22 N ATOM 875 CA GLY A 53 -10.330 5.255 -14.582 1.00 35.32 C ATOM 876 C GLY A 53 -9.265 5.957 -15.385 1.00 54.05 C ATOM 877 O GLY A 53 -9.131 5.724 -16.585 1.00 55.34 O ATOM 0 H GLY A 53 -10.275 5.971 -12.625 1.00 1.22 H new ATOM 0 HA2 GLY A 53 -9.931 4.319 -14.192 1.00 35.32 H new ATOM 0 HA3 GLY A 53 -11.165 4.998 -15.234 1.00 35.32 H new ATOM 881 N GLU A 54 -8.506 6.821 -14.726 1.00 74.30 N ATOM 882 CA GLU A 54 -7.446 7.558 -15.389 1.00 54.41 C ATOM 883 C GLU A 54 -6.187 6.713 -15.474 1.00 42.44 C ATOM 884 O GLU A 54 -5.776 6.292 -16.555 1.00 42.32 O ATOM 885 CB GLU A 54 -7.125 8.859 -14.643 1.00 74.22 C ATOM 886 CG GLU A 54 -8.304 9.791 -14.458 1.00 0.24 C ATOM 887 CD GLU A 54 -7.886 11.131 -13.888 1.00 71.24 C ATOM 888 OE1 GLU A 54 -7.519 11.192 -12.697 1.00 12.42 O ATOM 889 OE2 GLU A 54 -7.902 12.128 -14.637 1.00 34.24 O ATOM 0 H GLU A 54 -8.607 7.027 -13.732 1.00 74.30 H new ATOM 0 HA GLU A 54 -7.794 7.802 -16.393 1.00 54.41 H new ATOM 0 HB2 GLU A 54 -6.720 8.609 -13.662 1.00 74.22 H new ATOM 0 HB3 GLU A 54 -6.342 9.389 -15.186 1.00 74.22 H new ATOM 0 HG2 GLU A 54 -8.799 9.944 -15.417 1.00 0.24 H new ATOM 0 HG3 GLU A 54 -9.033 9.326 -13.794 1.00 0.24 H new ATOM 896 N GLU A 55 -5.590 6.454 -14.329 1.00 71.34 N ATOM 897 CA GLU A 55 -4.348 5.710 -14.270 1.00 4.41 C ATOM 898 C GLU A 55 -4.575 4.307 -13.736 1.00 21.34 C ATOM 899 O GLU A 55 -5.680 3.964 -13.308 1.00 63.11 O ATOM 900 CB GLU A 55 -3.333 6.444 -13.396 1.00 25.05 C ATOM 901 CG GLU A 55 -3.014 7.853 -13.870 1.00 72.02 C ATOM 902 CD GLU A 55 -2.540 7.893 -15.304 1.00 22.05 C ATOM 903 OE1 GLU A 55 -1.534 7.232 -15.621 1.00 73.44 O ATOM 904 OE2 GLU A 55 -3.179 8.583 -16.126 1.00 44.15 O ATOM 0 H GLU A 55 -5.947 6.750 -13.421 1.00 71.34 H new ATOM 0 HA GLU A 55 -3.955 5.630 -15.284 1.00 4.41 H new ATOM 0 HB2 GLU A 55 -3.715 6.492 -12.376 1.00 25.05 H new ATOM 0 HB3 GLU A 55 -2.410 5.865 -13.364 1.00 25.05 H new ATOM 0 HG2 GLU A 55 -3.903 8.476 -13.768 1.00 72.02 H new ATOM 0 HG3 GLU A 55 -2.247 8.284 -13.226 1.00 72.02 H new ATOM 911 N ASP A 56 -3.525 3.507 -13.756 1.00 14.33 N ATOM 912 CA ASP A 56 -3.590 2.133 -13.287 1.00 5.10 C ATOM 913 C ASP A 56 -2.885 1.992 -11.944 1.00 14.44 C ATOM 914 O ASP A 56 -1.842 2.605 -11.719 1.00 51.21 O ATOM 915 CB ASP A 56 -2.958 1.196 -14.316 1.00 55.43 C ATOM 916 CG ASP A 56 -2.932 -0.238 -13.849 1.00 1.00 C ATOM 917 OD1 ASP A 56 -3.985 -0.903 -13.898 1.00 2.41 O ATOM 918 OD2 ASP A 56 -1.864 -0.706 -13.429 1.00 4.02 O ATOM 0 H ASP A 56 -2.606 3.789 -14.096 1.00 14.33 H new ATOM 0 HA ASP A 56 -4.637 1.860 -13.157 1.00 5.10 H new ATOM 0 HB2 ASP A 56 -3.514 1.260 -15.252 1.00 55.43 H new ATOM 0 HB3 ASP A 56 -1.940 1.525 -14.526 1.00 55.43 H new ATOM 923 N PHE A 57 -3.454 1.174 -11.061 1.00 44.04 N ATOM 924 CA PHE A 57 -2.902 0.972 -9.719 1.00 64.15 C ATOM 925 C PHE A 57 -1.471 0.434 -9.775 1.00 62.42 C ATOM 926 O PHE A 57 -0.583 0.948 -9.099 1.00 54.04 O ATOM 927 CB PHE A 57 -3.790 0.015 -8.913 1.00 73.22 C ATOM 928 CG PHE A 57 -3.321 -0.212 -7.497 1.00 41.04 C ATOM 929 CD1 PHE A 57 -3.697 0.652 -6.481 1.00 21.44 C ATOM 930 CD2 PHE A 57 -2.506 -1.289 -7.184 1.00 61.12 C ATOM 931 CE1 PHE A 57 -3.271 0.447 -5.187 1.00 44.44 C ATOM 932 CE2 PHE A 57 -2.078 -1.495 -5.890 1.00 31.21 C ATOM 933 CZ PHE A 57 -2.461 -0.626 -4.891 1.00 65.24 C ATOM 0 H PHE A 57 -4.301 0.637 -11.250 1.00 44.04 H new ATOM 0 HA PHE A 57 -2.879 1.943 -9.224 1.00 64.15 H new ATOM 0 HB2 PHE A 57 -4.805 0.411 -8.889 1.00 73.22 H new ATOM 0 HB3 PHE A 57 -3.834 -0.944 -9.428 1.00 73.22 H new ATOM 0 HD1 PHE A 57 -4.332 1.496 -6.706 1.00 21.44 H new ATOM 0 HD2 PHE A 57 -2.203 -1.974 -7.962 1.00 61.12 H new ATOM 0 HE1 PHE A 57 -3.572 1.128 -4.405 1.00 44.44 H new ATOM 0 HE2 PHE A 57 -1.443 -2.337 -5.659 1.00 31.21 H new ATOM 0 HZ PHE A 57 -2.126 -0.787 -3.877 1.00 65.24 H new ATOM 943 N GLU A 58 -1.258 -0.586 -10.598 1.00 42.22 N ATOM 944 CA GLU A 58 0.053 -1.220 -10.726 1.00 21.10 C ATOM 945 C GLU A 58 1.076 -0.239 -11.283 1.00 24.31 C ATOM 946 O GLU A 58 2.253 -0.278 -10.927 1.00 0.42 O ATOM 947 CB GLU A 58 -0.043 -2.443 -11.633 1.00 11.11 C ATOM 948 CG GLU A 58 -0.922 -3.552 -11.084 1.00 34.21 C ATOM 949 CD GLU A 58 -1.230 -4.611 -12.119 1.00 64.41 C ATOM 950 OE1 GLU A 58 -0.421 -5.531 -12.298 1.00 5.23 O ATOM 951 OE2 GLU A 58 -2.296 -4.522 -12.764 1.00 53.21 O ATOM 0 H GLU A 58 -1.980 -0.995 -11.191 1.00 42.22 H new ATOM 0 HA GLU A 58 0.380 -1.534 -9.735 1.00 21.10 H new ATOM 0 HB2 GLU A 58 -0.431 -2.133 -12.604 1.00 11.11 H new ATOM 0 HB3 GLU A 58 0.959 -2.837 -11.801 1.00 11.11 H new ATOM 0 HG2 GLU A 58 -0.427 -4.015 -10.231 1.00 34.21 H new ATOM 0 HG3 GLU A 58 -1.855 -3.124 -10.717 1.00 34.21 H new ATOM 958 N SER A 59 0.624 0.633 -12.162 1.00 21.33 N ATOM 959 CA SER A 59 1.491 1.634 -12.747 1.00 4.43 C ATOM 960 C SER A 59 1.817 2.728 -11.721 1.00 5.01 C ATOM 961 O SER A 59 2.959 3.189 -11.629 1.00 64.32 O ATOM 962 CB SER A 59 0.841 2.234 -13.996 1.00 21.44 C ATOM 963 OG SER A 59 1.708 3.154 -14.643 1.00 0.04 O ATOM 0 H SER A 59 -0.342 0.668 -12.487 1.00 21.33 H new ATOM 0 HA SER A 59 2.426 1.158 -13.043 1.00 4.43 H new ATOM 0 HB2 SER A 59 0.574 1.435 -14.688 1.00 21.44 H new ATOM 0 HB3 SER A 59 -0.085 2.738 -13.719 1.00 21.44 H new ATOM 0 HG SER A 59 1.264 3.518 -15.437 1.00 0.04 H new ATOM 969 N LEU A 60 0.816 3.127 -10.942 1.00 24.11 N ATOM 970 CA LEU A 60 1.004 4.153 -9.922 1.00 44.35 C ATOM 971 C LEU A 60 1.898 3.646 -8.795 1.00 32.21 C ATOM 972 O LEU A 60 2.806 4.347 -8.349 1.00 42.24 O ATOM 973 CB LEU A 60 -0.345 4.610 -9.349 1.00 50.43 C ATOM 974 CG LEU A 60 -1.293 5.308 -10.328 1.00 32.33 C ATOM 975 CD1 LEU A 60 -2.597 5.668 -9.637 1.00 14.22 C ATOM 976 CD2 LEU A 60 -0.641 6.552 -10.912 1.00 12.10 C ATOM 0 H LEU A 60 -0.132 2.756 -10.998 1.00 24.11 H new ATOM 0 HA LEU A 60 1.490 5.004 -10.398 1.00 44.35 H new ATOM 0 HB2 LEU A 60 -0.856 3.739 -8.939 1.00 50.43 H new ATOM 0 HB3 LEU A 60 -0.152 5.287 -8.517 1.00 50.43 H new ATOM 0 HG LEU A 60 -1.511 4.620 -11.145 1.00 32.33 H new ATOM 0 HD11 LEU A 60 -3.260 6.163 -10.346 1.00 14.22 H new ATOM 0 HD12 LEU A 60 -3.075 4.761 -9.266 1.00 14.22 H new ATOM 0 HD13 LEU A 60 -2.393 6.338 -8.802 1.00 14.22 H new ATOM 0 HD21 LEU A 60 -1.331 7.033 -11.605 1.00 12.10 H new ATOM 0 HD22 LEU A 60 -0.393 7.244 -10.108 1.00 12.10 H new ATOM 0 HD23 LEU A 60 0.269 6.271 -11.442 1.00 12.10 H new ATOM 988 N ALA A 61 1.650 2.419 -8.358 1.00 3.41 N ATOM 989 CA ALA A 61 2.405 1.818 -7.261 1.00 12.24 C ATOM 990 C ALA A 61 3.842 1.505 -7.662 1.00 41.41 C ATOM 991 O ALA A 61 4.698 1.301 -6.811 1.00 1.21 O ATOM 992 CB ALA A 61 1.706 0.563 -6.758 1.00 3.43 C ATOM 0 H ALA A 61 0.927 1.815 -8.748 1.00 3.41 H new ATOM 0 HA ALA A 61 2.444 2.549 -6.453 1.00 12.24 H new ATOM 0 HB1 ALA A 61 2.282 0.128 -5.941 1.00 3.43 H new ATOM 0 HB2 ALA A 61 0.708 0.820 -6.402 1.00 3.43 H new ATOM 0 HB3 ALA A 61 1.626 -0.159 -7.570 1.00 3.43 H new ATOM 998 N SER A 62 4.103 1.475 -8.950 1.00 43.40 N ATOM 999 CA SER A 62 5.437 1.196 -9.437 1.00 33.13 C ATOM 1000 C SER A 62 6.256 2.486 -9.547 1.00 45.14 C ATOM 1001 O SER A 62 7.486 2.454 -9.578 1.00 44.12 O ATOM 1002 CB SER A 62 5.365 0.497 -10.801 1.00 55.41 C ATOM 1003 OG SER A 62 6.646 0.070 -11.235 1.00 70.45 O ATOM 0 H SER A 62 3.410 1.640 -9.680 1.00 43.40 H new ATOM 0 HA SER A 62 5.932 0.535 -8.725 1.00 33.13 H new ATOM 0 HB2 SER A 62 4.697 -0.362 -10.736 1.00 55.41 H new ATOM 0 HB3 SER A 62 4.938 1.178 -11.538 1.00 55.41 H new ATOM 0 HG SER A 62 7.072 -0.458 -10.528 1.00 70.45 H new ATOM 1009 N GLN A 63 5.571 3.620 -9.580 1.00 4.35 N ATOM 1010 CA GLN A 63 6.243 4.899 -9.770 1.00 45.01 C ATOM 1011 C GLN A 63 6.185 5.785 -8.535 1.00 31.23 C ATOM 1012 O GLN A 63 7.209 6.270 -8.066 1.00 32.44 O ATOM 1013 CB GLN A 63 5.621 5.653 -10.941 1.00 4.12 C ATOM 1014 CG GLN A 63 5.774 4.970 -12.280 1.00 41.21 C ATOM 1015 CD GLN A 63 5.019 5.694 -13.369 1.00 12.34 C ATOM 1016 OE1 GLN A 63 5.549 6.595 -14.016 1.00 60.03 O ATOM 1017 NE2 GLN A 63 3.776 5.310 -13.574 1.00 24.45 N ATOM 0 H GLN A 63 4.558 3.682 -9.479 1.00 4.35 H new ATOM 0 HA GLN A 63 7.289 4.669 -9.971 1.00 45.01 H new ATOM 0 HB2 GLN A 63 4.559 5.797 -10.741 1.00 4.12 H new ATOM 0 HB3 GLN A 63 6.072 6.644 -10.999 1.00 4.12 H new ATOM 0 HG2 GLN A 63 6.831 4.918 -12.543 1.00 41.21 H new ATOM 0 HG3 GLN A 63 5.413 3.944 -12.208 1.00 41.21 H new ATOM 0 HE21 GLN A 63 3.376 4.558 -13.014 1.00 24.45 H new ATOM 0 HE22 GLN A 63 3.214 5.765 -14.293 1.00 24.45 H new ATOM 1026 N PHE A 64 4.988 5.984 -8.013 1.00 53.21 N ATOM 1027 CA PHE A 64 4.768 6.943 -6.936 1.00 12.43 C ATOM 1028 C PHE A 64 4.841 6.311 -5.553 1.00 32.13 C ATOM 1029 O PHE A 64 4.487 6.946 -4.559 1.00 25.22 O ATOM 1030 CB PHE A 64 3.417 7.627 -7.124 1.00 45.02 C ATOM 1031 CG PHE A 64 3.266 8.295 -8.460 1.00 12.24 C ATOM 1032 CD1 PHE A 64 3.752 9.571 -8.668 1.00 72.20 C ATOM 1033 CD2 PHE A 64 2.641 7.642 -9.508 1.00 2.23 C ATOM 1034 CE1 PHE A 64 3.618 10.187 -9.896 1.00 50.33 C ATOM 1035 CE2 PHE A 64 2.504 8.251 -10.738 1.00 11.50 C ATOM 1036 CZ PHE A 64 2.993 9.524 -10.932 1.00 33.32 C ATOM 0 H PHE A 64 4.147 5.493 -8.317 1.00 53.21 H new ATOM 0 HA PHE A 64 5.573 7.675 -6.991 1.00 12.43 H new ATOM 0 HB2 PHE A 64 2.625 6.888 -7.004 1.00 45.02 H new ATOM 0 HB3 PHE A 64 3.282 8.370 -6.338 1.00 45.02 H new ATOM 0 HD1 PHE A 64 4.243 10.093 -7.860 1.00 72.20 H new ATOM 0 HD2 PHE A 64 2.256 6.644 -9.361 1.00 2.23 H new ATOM 0 HE1 PHE A 64 4.001 11.186 -10.045 1.00 50.33 H new ATOM 0 HE2 PHE A 64 2.014 7.731 -11.548 1.00 11.50 H new ATOM 0 HZ PHE A 64 2.887 10.003 -11.894 1.00 33.32 H new ATOM 1046 N SER A 65 5.296 5.085 -5.479 1.00 72.22 N ATOM 1047 CA SER A 65 5.421 4.429 -4.201 1.00 55.43 C ATOM 1048 C SER A 65 6.869 4.448 -3.745 1.00 63.14 C ATOM 1049 O SER A 65 7.779 4.230 -4.538 1.00 33.00 O ATOM 1050 CB SER A 65 4.899 2.994 -4.266 1.00 70.21 C ATOM 1051 OG SER A 65 4.837 2.420 -2.968 1.00 40.43 O ATOM 0 H SER A 65 5.584 4.525 -6.281 1.00 72.22 H new ATOM 0 HA SER A 65 4.815 4.973 -3.476 1.00 55.43 H new ATOM 0 HB2 SER A 65 3.909 2.983 -4.721 1.00 70.21 H new ATOM 0 HB3 SER A 65 5.549 2.394 -4.903 1.00 70.21 H new ATOM 0 HG SER A 65 4.731 3.130 -2.301 1.00 40.43 H new ATOM 1057 N ASP A 66 7.078 4.708 -2.464 1.00 42.30 N ATOM 1058 CA ASP A 66 8.426 4.776 -1.906 1.00 64.51 C ATOM 1059 C ASP A 66 8.868 3.399 -1.426 1.00 60.43 C ATOM 1060 O ASP A 66 9.869 3.265 -0.722 1.00 14.23 O ATOM 1061 CB ASP A 66 8.477 5.754 -0.723 1.00 33.44 C ATOM 1062 CG ASP A 66 7.651 7.004 -0.933 1.00 61.31 C ATOM 1063 OD1 ASP A 66 8.030 7.856 -1.761 1.00 73.25 O ATOM 1064 OD2 ASP A 66 6.616 7.145 -0.252 1.00 61.32 O ATOM 0 H ASP A 66 6.333 4.876 -1.788 1.00 42.30 H new ATOM 0 HA ASP A 66 9.096 5.126 -2.691 1.00 64.51 H new ATOM 0 HB2 ASP A 66 8.127 5.244 0.174 1.00 33.44 H new ATOM 0 HB3 ASP A 66 9.513 6.040 -0.543 1.00 33.44 H new ATOM 1069 N CYS A 67 8.122 2.380 -1.809 1.00 45.21 N ATOM 1070 CA CYS A 67 8.409 1.025 -1.381 1.00 13.34 C ATOM 1071 C CYS A 67 9.209 0.281 -2.435 1.00 61.43 C ATOM 1072 O CYS A 67 9.094 0.566 -3.625 1.00 43.43 O ATOM 1073 CB CYS A 67 7.109 0.277 -1.109 1.00 41.21 C ATOM 1074 SG CYS A 67 7.326 -1.314 -0.280 1.00 65.42 S ATOM 0 H CYS A 67 7.309 2.466 -2.419 1.00 45.21 H new ATOM 0 HA CYS A 67 9.000 1.077 -0.466 1.00 13.34 H new ATOM 0 HB2 CYS A 67 6.462 0.907 -0.498 1.00 41.21 H new ATOM 0 HB3 CYS A 67 6.593 0.113 -2.055 1.00 41.21 H new ATOM 0 HG CYS A 67 6.625 -1.332 0.815 1.00 65.42 H new ATOM 1080 N SER A 68 10.007 -0.679 -1.994 1.00 34.00 N ATOM 1081 CA SER A 68 10.810 -1.487 -2.897 1.00 25.42 C ATOM 1082 C SER A 68 9.927 -2.435 -3.714 1.00 44.30 C ATOM 1083 O SER A 68 10.339 -2.943 -4.757 1.00 43.01 O ATOM 1084 CB SER A 68 11.842 -2.279 -2.102 1.00 12.03 C ATOM 1085 OG SER A 68 12.605 -1.417 -1.269 1.00 51.53 O ATOM 0 H SER A 68 10.116 -0.918 -1.008 1.00 34.00 H new ATOM 0 HA SER A 68 11.325 -0.823 -3.591 1.00 25.42 H new ATOM 0 HB2 SER A 68 11.340 -3.031 -1.493 1.00 12.03 H new ATOM 0 HB3 SER A 68 12.504 -2.812 -2.785 1.00 12.03 H new ATOM 0 HG SER A 68 13.260 -1.944 -0.766 1.00 51.53 H new ATOM 1091 N SER A 69 8.699 -2.654 -3.239 1.00 62.22 N ATOM 1092 CA SER A 69 7.747 -3.513 -3.931 1.00 54.42 C ATOM 1093 C SER A 69 7.356 -2.913 -5.282 1.00 62.05 C ATOM 1094 O SER A 69 6.768 -3.589 -6.124 1.00 5.31 O ATOM 1095 CB SER A 69 6.499 -3.713 -3.077 1.00 61.31 C ATOM 1096 OG SER A 69 6.835 -4.154 -1.771 1.00 72.34 O ATOM 0 H SER A 69 8.344 -2.245 -2.375 1.00 62.22 H new ATOM 0 HA SER A 69 8.224 -4.478 -4.103 1.00 54.42 H new ATOM 0 HB2 SER A 69 5.944 -2.777 -3.016 1.00 61.31 H new ATOM 0 HB3 SER A 69 5.843 -4.442 -3.552 1.00 61.31 H new ATOM 0 HG SER A 69 7.030 -3.379 -1.204 1.00 72.34 H new ATOM 1102 N ALA A 70 7.702 -1.638 -5.482 1.00 43.22 N ATOM 1103 CA ALA A 70 7.398 -0.926 -6.720 1.00 11.33 C ATOM 1104 C ALA A 70 8.059 -1.598 -7.919 1.00 63.02 C ATOM 1105 O ALA A 70 7.639 -1.407 -9.060 1.00 52.42 O ATOM 1106 CB ALA A 70 7.848 0.521 -6.614 1.00 51.42 C ATOM 0 H ALA A 70 8.199 -1.075 -4.791 1.00 43.22 H new ATOM 0 HA ALA A 70 6.319 -0.954 -6.871 1.00 11.33 H new ATOM 0 HB1 ALA A 70 7.617 1.043 -7.543 1.00 51.42 H new ATOM 0 HB2 ALA A 70 7.328 1.004 -5.787 1.00 51.42 H new ATOM 0 HB3 ALA A 70 8.923 0.556 -6.436 1.00 51.42 H new ATOM 1112 N LYS A 71 9.090 -2.395 -7.649 1.00 42.33 N ATOM 1113 CA LYS A 71 9.797 -3.119 -8.696 1.00 2.12 C ATOM 1114 C LYS A 71 8.950 -4.283 -9.207 1.00 73.12 C ATOM 1115 O LYS A 71 9.229 -4.862 -10.258 1.00 55.44 O ATOM 1116 CB LYS A 71 11.137 -3.642 -8.172 1.00 72.24 C ATOM 1117 CG LYS A 71 12.074 -2.558 -7.646 1.00 2.10 C ATOM 1118 CD LYS A 71 12.395 -1.511 -8.709 1.00 40.42 C ATOM 1119 CE LYS A 71 13.051 -2.128 -9.938 1.00 24.01 C ATOM 1120 NZ LYS A 71 14.316 -2.830 -9.604 1.00 4.42 N ATOM 0 H LYS A 71 9.454 -2.554 -6.709 1.00 42.33 H new ATOM 0 HA LYS A 71 9.984 -2.431 -9.521 1.00 2.12 H new ATOM 0 HB2 LYS A 71 10.946 -4.359 -7.374 1.00 72.24 H new ATOM 0 HB3 LYS A 71 11.640 -4.183 -8.973 1.00 72.24 H new ATOM 0 HG2 LYS A 71 11.617 -2.071 -6.785 1.00 2.10 H new ATOM 0 HG3 LYS A 71 13.000 -3.017 -7.299 1.00 2.10 H new ATOM 0 HD2 LYS A 71 11.478 -1.002 -9.005 1.00 40.42 H new ATOM 0 HD3 LYS A 71 13.057 -0.755 -8.286 1.00 40.42 H new ATOM 0 HE2 LYS A 71 12.359 -2.830 -10.403 1.00 24.01 H new ATOM 0 HE3 LYS A 71 13.253 -1.347 -10.671 1.00 24.01 H new ATOM 0 HZ1 LYS A 71 14.796 -3.116 -10.481 1.00 4.42 H new ATOM 0 HZ2 LYS A 71 14.934 -2.192 -9.063 1.00 4.42 H new ATOM 0 HZ3 LYS A 71 14.105 -3.674 -9.034 1.00 4.42 H new ATOM 1134 N ALA A 72 7.922 -4.616 -8.453 1.00 25.33 N ATOM 1135 CA ALA A 72 7.018 -5.691 -8.804 1.00 32.14 C ATOM 1136 C ALA A 72 5.601 -5.152 -8.950 1.00 54.25 C ATOM 1137 O ALA A 72 4.634 -5.816 -8.579 1.00 24.34 O ATOM 1138 CB ALA A 72 7.068 -6.774 -7.736 1.00 13.32 C ATOM 0 H ALA A 72 7.690 -4.147 -7.577 1.00 25.33 H new ATOM 0 HA ALA A 72 7.325 -6.123 -9.757 1.00 32.14 H new ATOM 0 HB1 ALA A 72 6.386 -7.581 -8.004 1.00 13.32 H new ATOM 0 HB2 ALA A 72 8.083 -7.166 -7.662 1.00 13.32 H new ATOM 0 HB3 ALA A 72 6.771 -6.352 -6.776 1.00 13.32 H new ATOM 1144 N ARG A 73 5.496 -3.925 -9.493 1.00 12.20 N ATOM 1145 CA ARG A 73 4.201 -3.234 -9.696 1.00 50.44 C ATOM 1146 C ARG A 73 3.563 -2.837 -8.365 1.00 72.53 C ATOM 1147 O ARG A 73 2.439 -2.343 -8.329 1.00 41.15 O ATOM 1148 CB ARG A 73 3.212 -4.111 -10.475 1.00 62.12 C ATOM 1149 CG ARG A 73 3.672 -4.540 -11.854 1.00 12.24 C ATOM 1150 CD ARG A 73 2.610 -5.400 -12.511 1.00 62.14 C ATOM 1151 NE ARG A 73 3.017 -5.914 -13.816 1.00 10.15 N ATOM 1152 CZ ARG A 73 2.178 -6.520 -14.667 1.00 21.30 C ATOM 1153 NH1 ARG A 73 0.879 -6.602 -14.379 1.00 40.51 N ATOM 1154 NH2 ARG A 73 2.632 -7.022 -15.809 1.00 41.35 N ATOM 0 H ARG A 73 6.302 -3.383 -9.804 1.00 12.20 H new ATOM 0 HA ARG A 73 4.418 -2.335 -10.273 1.00 50.44 H new ATOM 0 HB2 ARG A 73 3.002 -5.004 -9.886 1.00 62.12 H new ATOM 0 HB3 ARG A 73 2.272 -3.568 -10.576 1.00 62.12 H new ATOM 0 HG2 ARG A 73 3.873 -3.663 -12.469 1.00 12.24 H new ATOM 0 HG3 ARG A 73 4.606 -5.096 -11.778 1.00 12.24 H new ATOM 0 HD2 ARG A 73 2.372 -6.237 -11.855 1.00 62.14 H new ATOM 0 HD3 ARG A 73 1.697 -4.816 -12.626 1.00 62.14 H new ATOM 0 HE ARG A 73 3.992 -5.806 -14.095 1.00 10.15 H new ATOM 0 HH11 ARG A 73 0.523 -6.203 -13.510 1.00 40.51 H new ATOM 0 HH12 ARG A 73 0.241 -7.063 -15.027 1.00 40.51 H new ATOM 0 HH21 ARG A 73 3.622 -6.947 -16.041 1.00 41.35 H new ATOM 0 HH22 ARG A 73 1.990 -7.483 -16.454 1.00 41.35 H new ATOM 1168 N GLY A 74 4.284 -3.053 -7.281 1.00 22.13 N ATOM 1169 CA GLY A 74 3.742 -2.788 -5.970 1.00 3.31 C ATOM 1170 C GLY A 74 3.039 -4.009 -5.421 1.00 53.51 C ATOM 1171 O GLY A 74 2.468 -3.980 -4.330 1.00 61.40 O ATOM 0 H GLY A 74 5.240 -3.409 -7.286 1.00 22.13 H new ATOM 0 HA2 GLY A 74 4.543 -2.490 -5.294 1.00 3.31 H new ATOM 0 HA3 GLY A 74 3.043 -1.954 -6.023 1.00 3.31 H new ATOM 1175 N ASP A 75 3.096 -5.091 -6.182 1.00 2.40 N ATOM 1176 CA ASP A 75 2.446 -6.336 -5.815 1.00 4.14 C ATOM 1177 C ASP A 75 3.343 -7.200 -4.942 1.00 23.21 C ATOM 1178 O ASP A 75 4.542 -7.325 -5.196 1.00 32.41 O ATOM 1179 CB ASP A 75 2.031 -7.105 -7.067 1.00 55.42 C ATOM 1180 CG ASP A 75 1.471 -8.468 -6.747 1.00 20.40 C ATOM 1181 OD1 ASP A 75 0.534 -8.552 -5.932 1.00 32.21 O ATOM 1182 OD2 ASP A 75 1.981 -9.468 -7.296 1.00 22.43 O ATOM 0 H ASP A 75 3.595 -5.129 -7.071 1.00 2.40 H new ATOM 0 HA ASP A 75 1.557 -6.087 -5.236 1.00 4.14 H new ATOM 0 HB2 ASP A 75 1.285 -6.528 -7.613 1.00 55.42 H new ATOM 0 HB3 ASP A 75 2.893 -7.215 -7.725 1.00 55.42 H new ATOM 1187 N LEU A 76 2.755 -7.798 -3.915 1.00 44.14 N ATOM 1188 CA LEU A 76 3.493 -8.656 -2.995 1.00 51.22 C ATOM 1189 C LEU A 76 3.245 -10.120 -3.304 1.00 2.43 C ATOM 1190 O LEU A 76 3.873 -11.004 -2.710 1.00 11.01 O ATOM 1191 CB LEU A 76 3.085 -8.365 -1.551 1.00 71.42 C ATOM 1192 CG LEU A 76 3.434 -6.977 -1.032 1.00 21.02 C ATOM 1193 CD1 LEU A 76 2.806 -6.748 0.329 1.00 20.35 C ATOM 1194 CD2 LEU A 76 4.943 -6.798 -0.959 1.00 23.01 C ATOM 0 H LEU A 76 1.763 -7.704 -3.696 1.00 44.14 H new ATOM 0 HA LEU A 76 4.555 -8.444 -3.120 1.00 51.22 H new ATOM 0 HB2 LEU A 76 2.008 -8.505 -1.462 1.00 71.42 H new ATOM 0 HB3 LEU A 76 3.557 -9.104 -0.904 1.00 71.42 H new ATOM 0 HG LEU A 76 3.034 -6.238 -1.727 1.00 21.02 H new ATOM 0 HD11 LEU A 76 3.065 -5.751 0.686 1.00 20.35 H new ATOM 0 HD12 LEU A 76 1.722 -6.835 0.249 1.00 20.35 H new ATOM 0 HD13 LEU A 76 3.179 -7.493 1.032 1.00 20.35 H new ATOM 0 HD21 LEU A 76 5.173 -5.800 -0.586 1.00 23.01 H new ATOM 0 HD22 LEU A 76 5.366 -7.544 -0.286 1.00 23.01 H new ATOM 0 HD23 LEU A 76 5.373 -6.922 -1.953 1.00 23.01 H new ATOM 1206 N GLY A 77 2.337 -10.378 -4.228 1.00 71.14 N ATOM 1207 CA GLY A 77 2.003 -11.739 -4.557 1.00 65.33 C ATOM 1208 C GLY A 77 1.135 -12.353 -3.488 1.00 72.41 C ATOM 1209 O GLY A 77 0.557 -11.634 -2.666 1.00 12.34 O ATOM 0 H GLY A 77 1.827 -9.669 -4.754 1.00 71.14 H new ATOM 0 HA2 GLY A 77 1.483 -11.769 -5.515 1.00 65.33 H new ATOM 0 HA3 GLY A 77 2.915 -12.324 -4.671 1.00 65.33 H new ATOM 1213 N ALA A 78 1.036 -13.661 -3.482 1.00 14.11 N ATOM 1214 CA ALA A 78 0.246 -14.336 -2.480 1.00 45.32 C ATOM 1215 C ALA A 78 1.096 -14.646 -1.268 1.00 2.31 C ATOM 1216 O ALA A 78 1.990 -15.493 -1.321 1.00 42.51 O ATOM 1217 CB ALA A 78 -0.369 -15.607 -3.041 1.00 32.04 C ATOM 0 H ALA A 78 1.490 -14.277 -4.156 1.00 14.11 H new ATOM 0 HA ALA A 78 -0.566 -13.675 -2.178 1.00 45.32 H new ATOM 0 HB1 ALA A 78 -0.959 -16.098 -2.267 1.00 32.04 H new ATOM 0 HB2 ALA A 78 -1.012 -15.358 -3.885 1.00 32.04 H new ATOM 0 HB3 ALA A 78 0.423 -16.278 -3.374 1.00 32.04 H new ATOM 1223 N PHE A 79 0.826 -13.958 -0.185 1.00 50.33 N ATOM 1224 CA PHE A 79 1.565 -14.158 1.045 1.00 24.03 C ATOM 1225 C PHE A 79 0.728 -14.929 2.047 1.00 71.50 C ATOM 1226 O PHE A 79 -0.506 -14.899 1.992 1.00 70.11 O ATOM 1227 CB PHE A 79 2.026 -12.812 1.637 1.00 74.12 C ATOM 1228 CG PHE A 79 0.921 -11.803 1.834 1.00 42.02 C ATOM 1229 CD1 PHE A 79 0.187 -11.772 3.010 1.00 65.41 C ATOM 1230 CD2 PHE A 79 0.626 -10.881 0.842 1.00 63.21 C ATOM 1231 CE1 PHE A 79 -0.821 -10.844 3.190 1.00 20.41 C ATOM 1232 CE2 PHE A 79 -0.380 -9.952 1.016 1.00 11.13 C ATOM 1233 CZ PHE A 79 -1.104 -9.933 2.192 1.00 24.33 C ATOM 0 H PHE A 79 0.095 -13.249 -0.128 1.00 50.33 H new ATOM 0 HA PHE A 79 2.455 -14.745 0.816 1.00 24.03 H new ATOM 0 HB2 PHE A 79 2.507 -12.998 2.598 1.00 74.12 H new ATOM 0 HB3 PHE A 79 2.782 -12.381 0.981 1.00 74.12 H new ATOM 0 HD1 PHE A 79 0.406 -12.481 3.794 1.00 65.41 H new ATOM 0 HD2 PHE A 79 1.190 -10.890 -0.079 1.00 63.21 H new ATOM 0 HE1 PHE A 79 -1.387 -10.831 4.110 1.00 20.41 H new ATOM 0 HE2 PHE A 79 -0.601 -9.241 0.234 1.00 11.13 H new ATOM 0 HZ PHE A 79 -1.891 -9.206 2.331 1.00 24.33 H new ATOM 1243 N SER A 80 1.395 -15.625 2.944 1.00 45.22 N ATOM 1244 CA SER A 80 0.723 -16.406 3.955 1.00 52.03 C ATOM 1245 C SER A 80 0.316 -15.525 5.124 1.00 15.02 C ATOM 1246 O SER A 80 0.977 -14.529 5.422 1.00 12.41 O ATOM 1247 CB SER A 80 1.639 -17.528 4.443 1.00 12.32 C ATOM 1248 OG SER A 80 2.022 -18.384 3.374 1.00 23.51 O ATOM 0 H SER A 80 2.413 -15.664 2.991 1.00 45.22 H new ATOM 0 HA SER A 80 -0.175 -16.842 3.517 1.00 52.03 H new ATOM 0 HB2 SER A 80 2.528 -17.099 4.905 1.00 12.32 H new ATOM 0 HB3 SER A 80 1.129 -18.108 5.212 1.00 12.32 H new ATOM 0 HG SER A 80 2.749 -17.968 2.866 1.00 23.51 H new ATOM 1254 N ARG A 81 -0.777 -15.878 5.767 1.00 53.32 N ATOM 1255 CA ARG A 81 -1.237 -15.143 6.925 1.00 60.03 C ATOM 1256 C ARG A 81 -0.363 -15.447 8.137 1.00 63.24 C ATOM 1257 O ARG A 81 0.036 -16.596 8.364 1.00 65.43 O ATOM 1258 CB ARG A 81 -2.715 -15.422 7.202 1.00 14.04 C ATOM 1259 CG ARG A 81 -3.097 -16.891 7.227 1.00 15.15 C ATOM 1260 CD ARG A 81 -4.609 -17.052 7.216 1.00 13.12 C ATOM 1261 NE ARG A 81 -5.239 -16.336 8.323 1.00 62.20 N ATOM 1262 CZ ARG A 81 -6.507 -15.919 8.337 1.00 24.22 C ATOM 1263 NH1 ARG A 81 -7.307 -16.147 7.293 1.00 32.01 N ATOM 1264 NH2 ARG A 81 -6.973 -15.264 9.393 1.00 22.13 N ATOM 0 H ARG A 81 -1.364 -16.671 5.507 1.00 53.32 H new ATOM 0 HA ARG A 81 -1.147 -14.077 6.715 1.00 60.03 H new ATOM 0 HB2 ARG A 81 -2.980 -14.977 8.161 1.00 14.04 H new ATOM 0 HB3 ARG A 81 -3.313 -14.920 6.442 1.00 14.04 H new ATOM 0 HG2 ARG A 81 -2.666 -17.399 6.364 1.00 15.15 H new ATOM 0 HG3 ARG A 81 -2.682 -17.365 8.117 1.00 15.15 H new ATOM 0 HD2 ARG A 81 -5.007 -16.683 6.271 1.00 13.12 H new ATOM 0 HD3 ARG A 81 -4.862 -18.110 7.277 1.00 13.12 H new ATOM 0 HE ARG A 81 -4.668 -16.140 9.145 1.00 62.20 H new ATOM 0 HH11 ARG A 81 -6.951 -16.643 6.476 1.00 32.01 H new ATOM 0 HH12 ARG A 81 -8.275 -15.825 7.312 1.00 32.01 H new ATOM 0 HH21 ARG A 81 -6.363 -15.081 10.190 1.00 22.13 H new ATOM 0 HH22 ARG A 81 -7.941 -14.944 9.408 1.00 22.13 H new ATOM 1278 N GLY A 82 -0.059 -14.419 8.898 1.00 51.20 N ATOM 1279 CA GLY A 82 0.846 -14.553 10.008 1.00 63.53 C ATOM 1280 C GLY A 82 2.254 -14.285 9.549 1.00 4.04 C ATOM 1281 O GLY A 82 3.214 -14.876 10.053 1.00 10.34 O ATOM 0 H GLY A 82 -0.430 -13.478 8.764 1.00 51.20 H new ATOM 0 HA2 GLY A 82 0.572 -13.855 10.799 1.00 63.53 H new ATOM 0 HA3 GLY A 82 0.775 -15.556 10.429 1.00 63.53 H new ATOM 1285 N GLN A 83 2.371 -13.393 8.572 1.00 43.11 N ATOM 1286 CA GLN A 83 3.651 -13.072 7.962 1.00 23.43 C ATOM 1287 C GLN A 83 3.770 -11.576 7.678 1.00 23.23 C ATOM 1288 O GLN A 83 4.823 -10.968 7.901 1.00 11.11 O ATOM 1289 CB GLN A 83 3.795 -13.849 6.651 1.00 32.24 C ATOM 1290 CG GLN A 83 5.074 -13.558 5.884 1.00 41.44 C ATOM 1291 CD GLN A 83 5.081 -14.193 4.508 1.00 51.03 C ATOM 1292 OE1 GLN A 83 4.470 -15.240 4.286 1.00 14.00 O ATOM 1293 NE2 GLN A 83 5.771 -13.567 3.577 1.00 62.31 N ATOM 0 H GLN A 83 1.583 -12.875 8.183 1.00 43.11 H new ATOM 0 HA GLN A 83 4.442 -13.352 8.657 1.00 23.43 H new ATOM 0 HB2 GLN A 83 3.752 -14.916 6.869 1.00 32.24 H new ATOM 0 HB3 GLN A 83 2.943 -13.619 6.012 1.00 32.24 H new ATOM 0 HG2 GLN A 83 5.197 -12.480 5.784 1.00 41.44 H new ATOM 0 HG3 GLN A 83 5.928 -13.924 6.454 1.00 41.44 H new ATOM 0 HE21 GLN A 83 6.263 -12.702 3.802 1.00 62.31 H new ATOM 0 HE22 GLN A 83 5.813 -13.947 2.631 1.00 62.31 H new ATOM 1302 N MET A 84 2.690 -10.992 7.202 1.00 73.00 N ATOM 1303 CA MET A 84 2.686 -9.597 6.801 1.00 35.31 C ATOM 1304 C MET A 84 2.403 -8.680 7.996 1.00 20.31 C ATOM 1305 O MET A 84 2.038 -9.154 9.072 1.00 40.24 O ATOM 1306 CB MET A 84 1.642 -9.397 5.691 1.00 71.33 C ATOM 1307 CG MET A 84 1.655 -8.025 5.042 1.00 43.43 C ATOM 1308 SD MET A 84 3.262 -7.589 4.347 1.00 62.51 S ATOM 1309 CE MET A 84 3.476 -8.908 3.149 1.00 43.11 C ATOM 0 H MET A 84 1.795 -11.466 7.082 1.00 73.00 H new ATOM 0 HA MET A 84 3.672 -9.331 6.419 1.00 35.31 H new ATOM 0 HB2 MET A 84 1.805 -10.150 4.919 1.00 71.33 H new ATOM 0 HB3 MET A 84 0.651 -9.577 6.108 1.00 71.33 H new ATOM 0 HG2 MET A 84 0.904 -7.995 4.253 1.00 43.43 H new ATOM 0 HG3 MET A 84 1.370 -7.277 5.781 1.00 43.43 H new ATOM 0 HE1 MET A 84 4.311 -8.669 2.490 1.00 43.11 H new ATOM 0 HE2 MET A 84 3.681 -9.843 3.670 1.00 43.11 H new ATOM 0 HE3 MET A 84 2.566 -9.014 2.558 1.00 43.11 H new ATOM 1319 N GLN A 85 2.596 -7.367 7.800 1.00 25.11 N ATOM 1320 CA GLN A 85 2.332 -6.376 8.839 1.00 15.01 C ATOM 1321 C GLN A 85 0.908 -6.543 9.331 1.00 64.41 C ATOM 1322 O GLN A 85 -0.008 -6.631 8.522 1.00 41.33 O ATOM 1323 CB GLN A 85 2.520 -4.965 8.274 1.00 41.13 C ATOM 1324 CG GLN A 85 3.887 -4.722 7.655 1.00 11.00 C ATOM 1325 CD GLN A 85 3.944 -3.436 6.852 1.00 23.33 C ATOM 1326 OE1 GLN A 85 3.653 -3.429 5.654 1.00 34.31 O ATOM 1327 NE2 GLN A 85 4.326 -2.349 7.493 1.00 4.43 N ATOM 0 H GLN A 85 2.936 -6.971 6.924 1.00 25.11 H new ATOM 0 HA GLN A 85 3.027 -6.521 9.666 1.00 15.01 H new ATOM 0 HB2 GLN A 85 1.754 -4.782 7.521 1.00 41.13 H new ATOM 0 HB3 GLN A 85 2.361 -4.241 9.073 1.00 41.13 H new ATOM 0 HG2 GLN A 85 4.638 -4.687 8.444 1.00 11.00 H new ATOM 0 HG3 GLN A 85 4.143 -5.561 7.008 1.00 11.00 H new ATOM 0 HE21 GLN A 85 4.558 -2.397 8.485 1.00 4.43 H new ATOM 0 HE22 GLN A 85 4.389 -1.460 6.997 1.00 4.43 H new ATOM 1336 N LYS A 86 0.727 -6.584 10.644 1.00 73.41 N ATOM 1337 CA LYS A 86 -0.594 -6.820 11.239 1.00 32.24 C ATOM 1338 C LYS A 86 -1.698 -5.916 10.635 1.00 15.21 C ATOM 1339 O LYS A 86 -2.716 -6.431 10.169 1.00 44.54 O ATOM 1340 CB LYS A 86 -0.552 -6.676 12.766 1.00 5.12 C ATOM 1341 CG LYS A 86 -1.672 -7.415 13.478 1.00 61.12 C ATOM 1342 CD LYS A 86 -1.456 -8.921 13.422 1.00 20.21 C ATOM 1343 CE LYS A 86 -2.578 -9.673 14.114 1.00 0.42 C ATOM 1344 NZ LYS A 86 -3.853 -9.595 13.361 1.00 61.11 N ATOM 0 H LYS A 86 1.476 -6.457 11.324 1.00 73.41 H new ATOM 0 HA LYS A 86 -0.858 -7.849 10.993 1.00 32.24 H new ATOM 0 HB2 LYS A 86 0.406 -7.046 13.131 1.00 5.12 H new ATOM 0 HB3 LYS A 86 -0.604 -5.618 13.024 1.00 5.12 H new ATOM 0 HG2 LYS A 86 -1.723 -7.090 14.517 1.00 61.12 H new ATOM 0 HG3 LYS A 86 -2.628 -7.164 13.018 1.00 61.12 H new ATOM 0 HD2 LYS A 86 -1.390 -9.241 12.382 1.00 20.21 H new ATOM 0 HD3 LYS A 86 -0.505 -9.170 13.893 1.00 20.21 H new ATOM 0 HE2 LYS A 86 -2.292 -10.718 14.234 1.00 0.42 H new ATOM 0 HE3 LYS A 86 -2.723 -9.265 15.114 1.00 0.42 H new ATOM 0 HZ1 LYS A 86 -4.616 -10.019 13.926 1.00 61.11 H new ATOM 0 HZ2 LYS A 86 -4.080 -8.599 13.165 1.00 61.11 H new ATOM 0 HZ3 LYS A 86 -3.758 -10.112 12.463 1.00 61.11 H new ATOM 1358 N PRO A 87 -1.514 -4.556 10.605 1.00 23.14 N ATOM 1359 CA PRO A 87 -2.531 -3.647 10.055 1.00 15.30 C ATOM 1360 C PRO A 87 -2.791 -3.909 8.576 1.00 1.41 C ATOM 1361 O PRO A 87 -3.914 -3.755 8.093 1.00 72.31 O ATOM 1362 CB PRO A 87 -1.920 -2.248 10.245 1.00 51.52 C ATOM 1363 CG PRO A 87 -0.869 -2.425 11.282 1.00 22.24 C ATOM 1364 CD PRO A 87 -0.334 -3.809 11.089 1.00 15.15 C ATOM 0 HA PRO A 87 -3.494 -3.772 10.551 1.00 15.30 H new ATOM 0 HB2 PRO A 87 -1.496 -1.873 9.314 1.00 51.52 H new ATOM 0 HB3 PRO A 87 -2.673 -1.528 10.565 1.00 51.52 H new ATOM 0 HG2 PRO A 87 -0.080 -1.682 11.170 1.00 22.24 H new ATOM 0 HG3 PRO A 87 -1.283 -2.302 12.283 1.00 22.24 H new ATOM 0 HD2 PRO A 87 0.481 -3.830 10.366 1.00 15.15 H new ATOM 0 HD3 PRO A 87 0.054 -4.225 12.019 1.00 15.15 H new ATOM 1372 N PHE A 88 -1.755 -4.327 7.873 1.00 54.12 N ATOM 1373 CA PHE A 88 -1.852 -4.591 6.453 1.00 54.45 C ATOM 1374 C PHE A 88 -2.543 -5.927 6.203 1.00 34.21 C ATOM 1375 O PHE A 88 -3.479 -6.014 5.415 1.00 43.52 O ATOM 1376 CB PHE A 88 -0.452 -4.590 5.821 1.00 75.10 C ATOM 1377 CG PHE A 88 -0.448 -4.702 4.317 1.00 14.11 C ATOM 1378 CD1 PHE A 88 -0.542 -5.936 3.696 1.00 21.43 C ATOM 1379 CD2 PHE A 88 -0.344 -3.572 3.528 1.00 31.44 C ATOM 1380 CE1 PHE A 88 -0.534 -6.042 2.321 1.00 30.14 C ATOM 1381 CE2 PHE A 88 -0.335 -3.672 2.151 1.00 31.32 C ATOM 1382 CZ PHE A 88 -0.430 -4.910 1.547 1.00 24.42 C ATOM 0 H PHE A 88 -0.829 -4.492 8.268 1.00 54.12 H new ATOM 0 HA PHE A 88 -2.449 -3.804 5.992 1.00 54.45 H new ATOM 0 HB2 PHE A 88 0.062 -3.672 6.106 1.00 75.10 H new ATOM 0 HB3 PHE A 88 0.122 -5.418 6.237 1.00 75.10 H new ATOM 0 HD1 PHE A 88 -0.623 -6.829 4.298 1.00 21.43 H new ATOM 0 HD2 PHE A 88 -0.269 -2.600 3.994 1.00 31.44 H new ATOM 0 HE1 PHE A 88 -0.609 -7.012 1.853 1.00 30.14 H new ATOM 0 HE2 PHE A 88 -0.254 -2.781 1.546 1.00 31.32 H new ATOM 0 HZ PHE A 88 -0.423 -4.989 0.470 1.00 24.42 H new ATOM 1392 N GLU A 89 -2.083 -6.954 6.899 1.00 53.14 N ATOM 1393 CA GLU A 89 -2.590 -8.307 6.729 1.00 2.21 C ATOM 1394 C GLU A 89 -4.076 -8.393 7.064 1.00 1.03 C ATOM 1395 O GLU A 89 -4.862 -8.951 6.291 1.00 43.15 O ATOM 1396 CB GLU A 89 -1.798 -9.273 7.600 1.00 53.20 C ATOM 1397 CG GLU A 89 -2.039 -10.731 7.271 1.00 13.03 C ATOM 1398 CD GLU A 89 -1.312 -11.658 8.204 1.00 54.25 C ATOM 1399 OE1 GLU A 89 -0.081 -11.823 8.056 1.00 20.14 O ATOM 1400 OE2 GLU A 89 -1.966 -12.238 9.096 1.00 43.42 O ATOM 0 H GLU A 89 -1.346 -6.873 7.599 1.00 53.14 H new ATOM 0 HA GLU A 89 -2.468 -8.583 5.682 1.00 2.21 H new ATOM 0 HB2 GLU A 89 -0.735 -9.057 7.492 1.00 53.20 H new ATOM 0 HB3 GLU A 89 -2.054 -9.099 8.645 1.00 53.20 H new ATOM 0 HG2 GLU A 89 -3.108 -10.939 7.317 1.00 13.03 H new ATOM 0 HG3 GLU A 89 -1.720 -10.927 6.247 1.00 13.03 H new ATOM 1407 N ASP A 90 -4.462 -7.826 8.209 1.00 24.34 N ATOM 1408 CA ASP A 90 -5.866 -7.841 8.635 1.00 35.10 C ATOM 1409 C ASP A 90 -6.757 -7.178 7.600 1.00 13.03 C ATOM 1410 O ASP A 90 -7.876 -7.625 7.354 1.00 62.23 O ATOM 1411 CB ASP A 90 -6.054 -7.152 9.995 1.00 62.40 C ATOM 1412 CG ASP A 90 -5.551 -7.981 11.162 1.00 73.24 C ATOM 1413 OD1 ASP A 90 -5.730 -9.218 11.141 1.00 3.24 O ATOM 1414 OD2 ASP A 90 -4.990 -7.397 12.122 1.00 50.22 O ATOM 0 H ASP A 90 -3.829 -7.354 8.855 1.00 24.34 H new ATOM 0 HA ASP A 90 -6.155 -8.887 8.736 1.00 35.10 H new ATOM 0 HB2 ASP A 90 -5.531 -6.196 9.985 1.00 62.40 H new ATOM 0 HB3 ASP A 90 -7.112 -6.935 10.142 1.00 62.40 H new ATOM 1419 N ALA A 91 -6.250 -6.121 6.985 1.00 20.34 N ATOM 1420 CA ALA A 91 -6.998 -5.396 5.973 1.00 42.22 C ATOM 1421 C ALA A 91 -7.012 -6.158 4.649 1.00 63.31 C ATOM 1422 O ALA A 91 -7.982 -6.092 3.900 1.00 23.13 O ATOM 1423 CB ALA A 91 -6.419 -4.004 5.782 1.00 41.03 C ATOM 0 H ALA A 91 -5.320 -5.746 7.171 1.00 20.34 H new ATOM 0 HA ALA A 91 -8.028 -5.301 6.316 1.00 42.22 H new ATOM 0 HB1 ALA A 91 -6.991 -3.474 5.020 1.00 41.03 H new ATOM 0 HB2 ALA A 91 -6.472 -3.456 6.723 1.00 41.03 H new ATOM 0 HB3 ALA A 91 -5.379 -4.083 5.466 1.00 41.03 H new ATOM 1429 N SER A 92 -5.937 -6.890 4.379 1.00 43.32 N ATOM 1430 CA SER A 92 -5.818 -7.664 3.147 1.00 2.51 C ATOM 1431 C SER A 92 -6.840 -8.796 3.113 1.00 71.21 C ATOM 1432 O SER A 92 -7.523 -9.004 2.108 1.00 12.51 O ATOM 1433 CB SER A 92 -4.407 -8.231 3.013 1.00 33.23 C ATOM 1434 OG SER A 92 -3.442 -7.197 3.018 1.00 22.45 O ATOM 0 H SER A 92 -5.131 -6.964 5.000 1.00 43.32 H new ATOM 0 HA SER A 92 -6.016 -6.997 2.308 1.00 2.51 H new ATOM 0 HB2 SER A 92 -4.209 -8.921 3.833 1.00 33.23 H new ATOM 0 HB3 SER A 92 -4.327 -8.803 2.089 1.00 33.23 H new ATOM 0 HG SER A 92 -3.213 -6.968 3.943 1.00 22.45 H new ATOM 1440 N PHE A 93 -6.956 -9.515 4.223 1.00 43.44 N ATOM 1441 CA PHE A 93 -7.904 -10.620 4.319 1.00 31.01 C ATOM 1442 C PHE A 93 -9.322 -10.109 4.537 1.00 43.32 C ATOM 1443 O PHE A 93 -10.277 -10.885 4.592 1.00 20.40 O ATOM 1444 CB PHE A 93 -7.496 -11.596 5.427 1.00 11.20 C ATOM 1445 CG PHE A 93 -6.301 -12.438 5.070 1.00 74.04 C ATOM 1446 CD1 PHE A 93 -5.015 -11.978 5.295 1.00 12.02 C ATOM 1447 CD2 PHE A 93 -6.468 -13.690 4.500 1.00 4.22 C ATOM 1448 CE1 PHE A 93 -3.919 -12.749 4.960 1.00 33.11 C ATOM 1449 CE2 PHE A 93 -5.375 -14.465 4.164 1.00 31.31 C ATOM 1450 CZ PHE A 93 -4.100 -13.994 4.393 1.00 64.14 C ATOM 0 H PHE A 93 -6.407 -9.354 5.068 1.00 43.44 H new ATOM 0 HA PHE A 93 -7.886 -11.159 3.372 1.00 31.01 H new ATOM 0 HB2 PHE A 93 -7.277 -11.033 6.334 1.00 11.20 H new ATOM 0 HB3 PHE A 93 -8.338 -12.250 5.653 1.00 11.20 H new ATOM 0 HD1 PHE A 93 -4.867 -11.004 5.738 1.00 12.02 H new ATOM 0 HD2 PHE A 93 -7.464 -14.064 4.316 1.00 4.22 H new ATOM 0 HE1 PHE A 93 -2.921 -12.378 5.142 1.00 33.11 H new ATOM 0 HE2 PHE A 93 -5.519 -15.440 3.722 1.00 31.31 H new ATOM 0 HZ PHE A 93 -3.244 -14.598 4.129 1.00 64.14 H new ATOM 1460 N ALA A 94 -9.452 -8.798 4.653 1.00 73.43 N ATOM 1461 CA ALA A 94 -10.747 -8.170 4.805 1.00 64.24 C ATOM 1462 C ALA A 94 -11.282 -7.760 3.448 1.00 73.23 C ATOM 1463 O ALA A 94 -12.399 -7.263 3.332 1.00 53.14 O ATOM 1464 CB ALA A 94 -10.649 -6.962 5.717 1.00 14.22 C ATOM 0 H ALA A 94 -8.667 -8.146 4.644 1.00 73.43 H new ATOM 0 HA ALA A 94 -11.433 -8.886 5.257 1.00 64.24 H new ATOM 0 HB1 ALA A 94 -11.632 -6.503 5.819 1.00 14.22 H new ATOM 0 HB2 ALA A 94 -10.291 -7.275 6.698 1.00 14.22 H new ATOM 0 HB3 ALA A 94 -9.954 -6.239 5.290 1.00 14.22 H new ATOM 1470 N LEU A 95 -10.469 -7.964 2.421 1.00 61.41 N ATOM 1471 CA LEU A 95 -10.843 -7.620 1.066 1.00 72.41 C ATOM 1472 C LEU A 95 -11.205 -8.861 0.273 1.00 75.52 C ATOM 1473 O LEU A 95 -10.909 -9.990 0.682 1.00 70.40 O ATOM 1474 CB LEU A 95 -9.705 -6.879 0.363 1.00 72.21 C ATOM 1475 CG LEU A 95 -9.309 -5.531 0.958 1.00 2.22 C ATOM 1476 CD1 LEU A 95 -8.148 -4.939 0.182 1.00 24.01 C ATOM 1477 CD2 LEU A 95 -10.495 -4.578 0.957 1.00 31.34 C ATOM 0 H LEU A 95 -9.538 -8.371 2.508 1.00 61.41 H new ATOM 0 HA LEU A 95 -11.715 -6.968 1.119 1.00 72.41 H new ATOM 0 HB2 LEU A 95 -8.826 -7.524 0.361 1.00 72.21 H new ATOM 0 HB3 LEU A 95 -9.989 -6.724 -0.678 1.00 72.21 H new ATOM 0 HG LEU A 95 -8.996 -5.683 1.991 1.00 2.22 H new ATOM 0 HD11 LEU A 95 -7.874 -3.977 0.615 1.00 24.01 H new ATOM 0 HD12 LEU A 95 -7.295 -5.616 0.231 1.00 24.01 H new ATOM 0 HD13 LEU A 95 -8.440 -4.798 -0.859 1.00 24.01 H new ATOM 0 HD21 LEU A 95 -10.194 -3.622 1.385 1.00 31.34 H new ATOM 0 HD22 LEU A 95 -10.838 -4.426 -0.066 1.00 31.34 H new ATOM 0 HD23 LEU A 95 -11.304 -5.003 1.552 1.00 31.34 H new ATOM 1489 N ARG A 96 -11.833 -8.647 -0.860 1.00 12.32 N ATOM 1490 CA ARG A 96 -12.237 -9.724 -1.742 1.00 1.32 C ATOM 1491 C ARG A 96 -11.490 -9.605 -3.066 1.00 62.42 C ATOM 1492 O ARG A 96 -10.708 -8.669 -3.258 1.00 44.41 O ATOM 1493 CB ARG A 96 -13.744 -9.649 -1.985 1.00 53.33 C ATOM 1494 CG ARG A 96 -14.578 -9.738 -0.717 1.00 32.44 C ATOM 1495 CD ARG A 96 -16.031 -9.380 -0.983 1.00 10.12 C ATOM 1496 NE ARG A 96 -16.171 -8.013 -1.501 1.00 63.31 N ATOM 1497 CZ ARG A 96 -17.320 -7.336 -1.554 1.00 41.51 C ATOM 1498 NH1 ARG A 96 -18.443 -7.881 -1.087 1.00 41.35 N ATOM 1499 NH2 ARG A 96 -17.344 -6.106 -2.067 1.00 33.41 N ATOM 0 H ARG A 96 -12.080 -7.718 -1.200 1.00 12.32 H new ATOM 0 HA ARG A 96 -11.998 -10.682 -1.281 1.00 1.32 H new ATOM 0 HB2 ARG A 96 -13.974 -8.713 -2.494 1.00 53.33 H new ATOM 0 HB3 ARG A 96 -14.034 -10.457 -2.657 1.00 53.33 H new ATOM 0 HG2 ARG A 96 -14.519 -10.748 -0.311 1.00 32.44 H new ATOM 0 HG3 ARG A 96 -14.168 -9.067 0.038 1.00 32.44 H new ATOM 0 HD2 ARG A 96 -16.454 -10.085 -1.699 1.00 10.12 H new ATOM 0 HD3 ARG A 96 -16.604 -9.480 -0.061 1.00 10.12 H new ATOM 0 HE ARG A 96 -15.331 -7.548 -1.845 1.00 63.31 H new ATOM 0 HH11 ARG A 96 -18.427 -8.819 -0.687 1.00 41.35 H new ATOM 0 HH12 ARG A 96 -19.319 -7.360 -1.130 1.00 41.35 H new ATOM 0 HH21 ARG A 96 -16.485 -5.683 -2.419 1.00 33.41 H new ATOM 0 HH22 ARG A 96 -18.221 -5.588 -2.108 1.00 33.41 H new ATOM 1513 N THR A 97 -11.719 -10.542 -3.966 1.00 31.24 N ATOM 1514 CA THR A 97 -11.094 -10.505 -5.274 1.00 62.35 C ATOM 1515 C THR A 97 -11.635 -9.323 -6.084 1.00 21.40 C ATOM 1516 O THR A 97 -12.829 -9.261 -6.387 1.00 41.22 O ATOM 1517 CB THR A 97 -11.343 -11.819 -6.040 1.00 54.41 C ATOM 1518 OG1 THR A 97 -10.857 -12.930 -5.263 1.00 52.24 O ATOM 1519 CG2 THR A 97 -10.644 -11.801 -7.391 1.00 12.43 C ATOM 0 H THR A 97 -12.335 -11.341 -3.814 1.00 31.24 H new ATOM 0 HA THR A 97 -10.020 -10.384 -5.133 1.00 62.35 H new ATOM 0 HB THR A 97 -12.415 -11.923 -6.206 1.00 54.41 H new ATOM 0 HG1 THR A 97 -10.008 -13.245 -5.638 1.00 52.24 H new ATOM 0 HG21 THR A 97 -10.835 -12.739 -7.912 1.00 12.43 H new ATOM 0 HG22 THR A 97 -11.025 -10.971 -7.987 1.00 12.43 H new ATOM 0 HG23 THR A 97 -9.571 -11.680 -7.244 1.00 12.43 H new ATOM 1527 N GLY A 98 -10.759 -8.384 -6.410 1.00 13.23 N ATOM 1528 CA GLY A 98 -11.173 -7.210 -7.144 1.00 31.44 C ATOM 1529 C GLY A 98 -11.698 -6.137 -6.218 1.00 24.23 C ATOM 1530 O GLY A 98 -12.607 -5.379 -6.575 1.00 62.44 O ATOM 0 H GLY A 98 -9.766 -8.416 -6.178 1.00 13.23 H new ATOM 0 HA2 GLY A 98 -10.330 -6.820 -7.714 1.00 31.44 H new ATOM 0 HA3 GLY A 98 -11.946 -7.482 -7.863 1.00 31.44 H new ATOM 1534 N GLU A 99 -11.132 -6.072 -5.023 1.00 51.25 N ATOM 1535 CA GLU A 99 -11.556 -5.104 -4.029 1.00 22.44 C ATOM 1536 C GLU A 99 -10.355 -4.314 -3.508 1.00 53.33 C ATOM 1537 O GLU A 99 -9.258 -4.865 -3.349 1.00 51.44 O ATOM 1538 CB GLU A 99 -12.259 -5.820 -2.873 1.00 44.41 C ATOM 1539 CG GLU A 99 -13.021 -4.897 -1.940 1.00 42.21 C ATOM 1540 CD GLU A 99 -14.145 -4.172 -2.642 1.00 72.13 C ATOM 1541 OE1 GLU A 99 -15.171 -4.813 -2.944 1.00 54.11 O ATOM 1542 OE2 GLU A 99 -14.002 -2.960 -2.903 1.00 10.13 O ATOM 0 H GLU A 99 -10.374 -6.683 -4.719 1.00 51.25 H new ATOM 0 HA GLU A 99 -12.254 -4.406 -4.492 1.00 22.44 H new ATOM 0 HB2 GLU A 99 -12.951 -6.555 -3.283 1.00 44.41 H new ATOM 0 HB3 GLU A 99 -11.516 -6.369 -2.295 1.00 44.41 H new ATOM 0 HG2 GLU A 99 -13.427 -5.477 -1.111 1.00 42.21 H new ATOM 0 HG3 GLU A 99 -12.333 -4.168 -1.512 1.00 42.21 H new ATOM 1549 N MET A 100 -10.567 -3.032 -3.252 1.00 13.45 N ATOM 1550 CA MET A 100 -9.512 -2.155 -2.761 1.00 2.50 C ATOM 1551 C MET A 100 -9.898 -1.566 -1.406 1.00 34.25 C ATOM 1552 O MET A 100 -11.070 -1.260 -1.165 1.00 41.22 O ATOM 1553 CB MET A 100 -9.263 -1.023 -3.763 1.00 60.13 C ATOM 1554 CG MET A 100 -8.109 -0.104 -3.391 1.00 4.24 C ATOM 1555 SD MET A 100 -7.970 1.321 -4.490 1.00 41.52 S ATOM 1556 CE MET A 100 -7.703 0.512 -6.066 1.00 30.22 C ATOM 0 H MET A 100 -11.468 -2.571 -3.377 1.00 13.45 H new ATOM 0 HA MET A 100 -8.600 -2.740 -2.645 1.00 2.50 H new ATOM 0 HB2 MET A 100 -9.066 -1.457 -4.743 1.00 60.13 H new ATOM 0 HB3 MET A 100 -10.172 -0.428 -3.855 1.00 60.13 H new ATOM 0 HG2 MET A 100 -8.243 0.244 -2.367 1.00 4.24 H new ATOM 0 HG3 MET A 100 -7.177 -0.669 -3.416 1.00 4.24 H new ATOM 0 HE1 MET A 100 -7.082 1.146 -6.700 1.00 30.22 H new ATOM 0 HE2 MET A 100 -7.201 -0.442 -5.905 1.00 30.22 H new ATOM 0 HE3 MET A 100 -8.662 0.340 -6.554 1.00 30.22 H new ATOM 1566 N SER A 101 -8.923 -1.417 -0.527 1.00 60.44 N ATOM 1567 CA SER A 101 -9.156 -0.840 0.783 1.00 54.41 C ATOM 1568 C SER A 101 -8.855 0.654 0.767 1.00 64.21 C ATOM 1569 O SER A 101 -8.429 1.202 -0.257 1.00 65.41 O ATOM 1570 CB SER A 101 -8.278 -1.533 1.826 1.00 24.31 C ATOM 1571 OG SER A 101 -6.906 -1.432 1.479 1.00 13.21 O ATOM 0 H SER A 101 -7.956 -1.690 -0.700 1.00 60.44 H new ATOM 0 HA SER A 101 -10.204 -0.985 1.044 1.00 54.41 H new ATOM 0 HB2 SER A 101 -8.444 -1.082 2.805 1.00 24.31 H new ATOM 0 HB3 SER A 101 -8.561 -2.583 1.906 1.00 24.31 H new ATOM 0 HG SER A 101 -6.355 -1.736 2.231 1.00 13.21 H new ATOM 1577 N GLY A 102 -9.087 1.306 1.890 1.00 73.01 N ATOM 1578 CA GLY A 102 -8.780 2.708 2.003 1.00 60.32 C ATOM 1579 C GLY A 102 -7.372 2.922 2.516 1.00 52.53 C ATOM 1580 O GLY A 102 -6.539 2.015 2.431 1.00 23.40 O ATOM 0 H GLY A 102 -9.485 0.885 2.730 1.00 73.01 H new ATOM 0 HA2 GLY A 102 -8.892 3.187 1.030 1.00 60.32 H new ATOM 0 HA3 GLY A 102 -9.492 3.185 2.677 1.00 60.32 H new ATOM 1584 N PRO A 103 -7.072 4.106 3.059 1.00 50.30 N ATOM 1585 CA PRO A 103 -5.747 4.418 3.592 1.00 0.13 C ATOM 1586 C PRO A 103 -5.412 3.594 4.838 1.00 20.20 C ATOM 1587 O PRO A 103 -5.922 3.861 5.934 1.00 72.22 O ATOM 1588 CB PRO A 103 -5.835 5.914 3.953 1.00 42.01 C ATOM 1589 CG PRO A 103 -7.060 6.410 3.263 1.00 15.34 C ATOM 1590 CD PRO A 103 -7.992 5.241 3.188 1.00 43.53 C ATOM 0 HA PRO A 103 -4.962 4.187 2.872 1.00 0.13 H new ATOM 0 HB2 PRO A 103 -5.906 6.056 5.031 1.00 42.01 H new ATOM 0 HB3 PRO A 103 -4.949 6.453 3.618 1.00 42.01 H new ATOM 0 HG2 PRO A 103 -7.512 7.235 3.814 1.00 15.34 H new ATOM 0 HG3 PRO A 103 -6.823 6.784 2.267 1.00 15.34 H new ATOM 0 HD2 PRO A 103 -8.613 5.160 4.080 1.00 43.53 H new ATOM 0 HD3 PRO A 103 -8.667 5.315 2.335 1.00 43.53 H new ATOM 1598 N VAL A 104 -4.581 2.579 4.659 1.00 21.10 N ATOM 1599 CA VAL A 104 -4.147 1.737 5.762 1.00 1.00 C ATOM 1600 C VAL A 104 -2.798 2.218 6.285 1.00 40.42 C ATOM 1601 O VAL A 104 -1.793 2.164 5.575 1.00 35.41 O ATOM 1602 CB VAL A 104 -4.034 0.251 5.333 1.00 40.44 C ATOM 1603 CG1 VAL A 104 -3.578 -0.619 6.498 1.00 64.45 C ATOM 1604 CG2 VAL A 104 -5.361 -0.249 4.780 1.00 1.52 C ATOM 0 H VAL A 104 -4.191 2.317 3.753 1.00 21.10 H new ATOM 0 HA VAL A 104 -4.897 1.809 6.550 1.00 1.00 H new ATOM 0 HB VAL A 104 -3.284 0.183 4.545 1.00 40.44 H new ATOM 0 HG11 VAL A 104 -3.507 -1.656 6.171 1.00 64.45 H new ATOM 0 HG12 VAL A 104 -2.602 -0.280 6.845 1.00 64.45 H new ATOM 0 HG13 VAL A 104 -4.299 -0.544 7.312 1.00 64.45 H new ATOM 0 HG21 VAL A 104 -5.262 -1.293 4.484 1.00 1.52 H new ATOM 0 HG22 VAL A 104 -6.131 -0.160 5.546 1.00 1.52 H new ATOM 0 HG23 VAL A 104 -5.642 0.348 3.913 1.00 1.52 H new ATOM 1614 N PHE A 105 -2.782 2.697 7.511 1.00 21.40 N ATOM 1615 CA PHE A 105 -1.561 3.206 8.117 1.00 32.22 C ATOM 1616 C PHE A 105 -0.735 2.068 8.696 1.00 14.31 C ATOM 1617 O PHE A 105 -1.281 1.127 9.277 1.00 44.50 O ATOM 1618 CB PHE A 105 -1.893 4.233 9.198 1.00 52.24 C ATOM 1619 CG PHE A 105 -2.651 5.421 8.678 1.00 10.41 C ATOM 1620 CD1 PHE A 105 -1.980 6.529 8.194 1.00 32.15 C ATOM 1621 CD2 PHE A 105 -4.036 5.426 8.668 1.00 25.31 C ATOM 1622 CE1 PHE A 105 -2.675 7.620 7.711 1.00 52.45 C ATOM 1623 CE2 PHE A 105 -4.735 6.514 8.186 1.00 41.40 C ATOM 1624 CZ PHE A 105 -4.054 7.612 7.707 1.00 62.12 C ATOM 0 H PHE A 105 -3.603 2.746 8.114 1.00 21.40 H new ATOM 0 HA PHE A 105 -0.970 3.696 7.343 1.00 32.22 H new ATOM 0 HB2 PHE A 105 -2.480 3.750 9.980 1.00 52.24 H new ATOM 0 HB3 PHE A 105 -0.967 4.576 9.660 1.00 52.24 H new ATOM 0 HD1 PHE A 105 -0.900 6.541 8.194 1.00 32.15 H new ATOM 0 HD2 PHE A 105 -4.575 4.568 9.042 1.00 25.31 H new ATOM 0 HE1 PHE A 105 -2.139 8.479 7.336 1.00 52.45 H new ATOM 0 HE2 PHE A 105 -5.815 6.505 8.184 1.00 41.40 H new ATOM 0 HZ PHE A 105 -4.599 8.464 7.329 1.00 62.12 H new ATOM 1634 N THR A 106 0.576 2.150 8.526 1.00 51.12 N ATOM 1635 CA THR A 106 1.481 1.108 8.996 1.00 3.12 C ATOM 1636 C THR A 106 2.763 1.724 9.564 1.00 45.40 C ATOM 1637 O THR A 106 2.789 2.910 9.904 1.00 51.35 O ATOM 1638 CB THR A 106 1.862 0.152 7.843 1.00 60.44 C ATOM 1639 OG1 THR A 106 2.422 0.905 6.769 1.00 4.14 O ATOM 1640 CG2 THR A 106 0.653 -0.634 7.342 1.00 14.45 C ATOM 0 H THR A 106 1.040 2.932 8.063 1.00 51.12 H new ATOM 0 HA THR A 106 0.963 0.550 9.776 1.00 3.12 H new ATOM 0 HB THR A 106 2.593 -0.563 8.222 1.00 60.44 H new ATOM 0 HG1 THR A 106 2.816 0.294 6.112 1.00 4.14 H new ATOM 0 HG21 THR A 106 0.959 -1.295 6.532 1.00 14.45 H new ATOM 0 HG22 THR A 106 0.241 -1.227 8.158 1.00 14.45 H new ATOM 0 HG23 THR A 106 -0.106 0.059 6.978 1.00 14.45 H new ATOM 1648 N ASP A 107 3.816 0.901 9.649 1.00 44.23 N ATOM 1649 CA ASP A 107 5.135 1.314 10.148 1.00 32.43 C ATOM 1650 C ASP A 107 5.593 2.630 9.541 1.00 41.22 C ATOM 1651 O ASP A 107 5.764 3.629 10.245 1.00 35.31 O ATOM 1652 CB ASP A 107 6.179 0.243 9.830 1.00 64.42 C ATOM 1653 CG ASP A 107 6.006 -1.019 10.634 1.00 75.44 C ATOM 1654 OD1 ASP A 107 6.515 -1.077 11.768 1.00 1.14 O ATOM 1655 OD2 ASP A 107 5.372 -1.973 10.125 1.00 2.01 O ATOM 0 H ASP A 107 3.776 -0.080 9.371 1.00 44.23 H new ATOM 0 HA ASP A 107 5.037 1.446 11.226 1.00 32.43 H new ATOM 0 HB2 ASP A 107 6.127 -0.001 8.769 1.00 64.42 H new ATOM 0 HB3 ASP A 107 7.173 0.649 10.015 1.00 64.42 H new ATOM 1660 N SER A 108 5.802 2.629 8.239 1.00 40.11 N ATOM 1661 CA SER A 108 6.275 3.808 7.561 1.00 71.02 C ATOM 1662 C SER A 108 5.445 4.107 6.328 1.00 23.32 C ATOM 1663 O SER A 108 5.731 3.607 5.241 1.00 61.21 O ATOM 1664 CB SER A 108 7.745 3.647 7.169 1.00 72.33 C ATOM 1665 OG SER A 108 8.552 3.334 8.298 1.00 44.34 O ATOM 0 H SER A 108 5.650 1.822 7.634 1.00 40.11 H new ATOM 0 HA SER A 108 6.177 4.646 8.251 1.00 71.02 H new ATOM 0 HB2 SER A 108 7.840 2.859 6.422 1.00 72.33 H new ATOM 0 HB3 SER A 108 8.103 4.567 6.708 1.00 72.33 H new ATOM 0 HG SER A 108 9.450 3.080 7.998 1.00 44.34 H new ATOM 1671 N GLY A 109 4.398 4.883 6.502 1.00 41.23 N ATOM 1672 CA GLY A 109 3.618 5.289 5.368 1.00 73.25 C ATOM 1673 C GLY A 109 2.247 4.667 5.307 1.00 23.12 C ATOM 1674 O GLY A 109 1.903 3.785 6.108 1.00 72.23 O ATOM 0 H GLY A 109 4.076 5.237 7.403 1.00 41.23 H new ATOM 0 HA2 GLY A 109 3.512 6.374 5.383 1.00 73.25 H new ATOM 0 HA3 GLY A 109 4.161 5.035 4.458 1.00 73.25 H new ATOM 1678 N ILE A 110 1.472 5.126 4.343 1.00 51.23 N ATOM 1679 CA ILE A 110 0.124 4.653 4.128 1.00 62.13 C ATOM 1680 C ILE A 110 0.118 3.627 3.001 1.00 34.25 C ATOM 1681 O ILE A 110 0.781 3.814 1.979 1.00 43.02 O ATOM 1682 CB ILE A 110 -0.811 5.824 3.751 1.00 3.22 C ATOM 1683 CG1 ILE A 110 -0.666 6.969 4.763 1.00 33.13 C ATOM 1684 CG2 ILE A 110 -2.256 5.350 3.687 1.00 62.10 C ATOM 1685 CD1 ILE A 110 -1.434 8.222 4.390 1.00 1.21 C ATOM 0 H ILE A 110 1.766 5.845 3.682 1.00 51.23 H new ATOM 0 HA ILE A 110 -0.234 4.197 5.051 1.00 62.13 H new ATOM 0 HB ILE A 110 -0.525 6.194 2.766 1.00 3.22 H new ATOM 0 HG12 ILE A 110 -1.007 6.623 5.739 1.00 33.13 H new ATOM 0 HG13 ILE A 110 0.390 7.219 4.864 1.00 33.13 H new ATOM 0 HG21 ILE A 110 -2.902 6.187 3.420 1.00 62.10 H new ATOM 0 HG22 ILE A 110 -2.349 4.566 2.935 1.00 62.10 H new ATOM 0 HG23 ILE A 110 -2.554 4.958 4.659 1.00 62.10 H new ATOM 0 HD11 ILE A 110 -1.281 8.984 5.154 1.00 1.21 H new ATOM 0 HD12 ILE A 110 -1.078 8.595 3.430 1.00 1.21 H new ATOM 0 HD13 ILE A 110 -2.496 7.990 4.318 1.00 1.21 H new ATOM 1697 N HIS A 111 -0.604 2.541 3.197 1.00 73.51 N ATOM 1698 CA HIS A 111 -0.672 1.481 2.208 1.00 43.01 C ATOM 1699 C HIS A 111 -2.072 1.371 1.623 1.00 54.14 C ATOM 1700 O HIS A 111 -3.055 1.302 2.358 1.00 63.54 O ATOM 1701 CB HIS A 111 -0.280 0.119 2.826 1.00 43.32 C ATOM 1702 CG HIS A 111 1.152 0.010 3.279 1.00 72.31 C ATOM 1703 ND1 HIS A 111 1.924 -1.121 3.092 1.00 11.45 N ATOM 1704 CD2 HIS A 111 1.937 0.883 3.937 1.00 74.14 C ATOM 1705 CE1 HIS A 111 3.119 -0.927 3.620 1.00 13.25 C ATOM 1706 NE2 HIS A 111 3.155 0.277 4.138 1.00 70.12 N ATOM 0 H HIS A 111 -1.155 2.368 4.038 1.00 73.51 H new ATOM 0 HA HIS A 111 0.033 1.734 1.416 1.00 43.01 H new ATOM 0 HB2 HIS A 111 -0.930 -0.076 3.679 1.00 43.32 H new ATOM 0 HB3 HIS A 111 -0.473 -0.664 2.093 1.00 43.32 H new ATOM 0 HD1 HIS A 111 1.619 -1.972 2.620 1.00 11.45 H new ATOM 0 HD2 HIS A 111 1.661 1.879 4.250 1.00 74.14 H new ATOM 0 HE1 HIS A 111 3.930 -1.640 3.624 1.00 13.25 H new ATOM 1715 N ILE A 112 -2.152 1.378 0.310 1.00 53.22 N ATOM 1716 CA ILE A 112 -3.409 1.144 -0.381 1.00 22.33 C ATOM 1717 C ILE A 112 -3.398 -0.293 -0.868 1.00 43.32 C ATOM 1718 O ILE A 112 -2.513 -0.678 -1.630 1.00 55.41 O ATOM 1719 CB ILE A 112 -3.585 2.085 -1.598 1.00 44.34 C ATOM 1720 CG1 ILE A 112 -3.390 3.547 -1.183 1.00 30.24 C ATOM 1721 CG2 ILE A 112 -4.964 1.888 -2.223 1.00 63.42 C ATOM 1722 CD1 ILE A 112 -3.460 4.523 -2.342 1.00 23.31 C ATOM 0 H ILE A 112 -1.357 1.544 -0.307 1.00 53.22 H new ATOM 0 HA ILE A 112 -4.233 1.338 0.305 1.00 22.33 H new ATOM 0 HB ILE A 112 -2.826 1.836 -2.340 1.00 44.34 H new ATOM 0 HG12 ILE A 112 -4.151 3.812 -0.449 1.00 30.24 H new ATOM 0 HG13 ILE A 112 -2.423 3.650 -0.690 1.00 30.24 H new ATOM 0 HG21 ILE A 112 -5.075 2.555 -3.078 1.00 63.42 H new ATOM 0 HG22 ILE A 112 -5.069 0.855 -2.554 1.00 63.42 H new ATOM 0 HG23 ILE A 112 -5.734 2.113 -1.485 1.00 63.42 H new ATOM 0 HD11 ILE A 112 -3.313 5.538 -1.972 1.00 23.31 H new ATOM 0 HD12 ILE A 112 -2.681 4.284 -3.066 1.00 23.31 H new ATOM 0 HD13 ILE A 112 -4.436 4.449 -2.821 1.00 23.31 H new ATOM 1734 N ILE A 113 -4.348 -1.087 -0.418 1.00 54.23 N ATOM 1735 CA ILE A 113 -4.357 -2.505 -0.740 1.00 12.12 C ATOM 1736 C ILE A 113 -5.389 -2.835 -1.812 1.00 24.24 C ATOM 1737 O ILE A 113 -6.551 -2.437 -1.718 1.00 0.44 O ATOM 1738 CB ILE A 113 -4.647 -3.358 0.520 1.00 13.14 C ATOM 1739 CG1 ILE A 113 -3.747 -2.918 1.679 1.00 53.41 C ATOM 1740 CG2 ILE A 113 -4.439 -4.837 0.221 1.00 21.33 C ATOM 1741 CD1 ILE A 113 -4.051 -3.616 2.987 1.00 71.20 C ATOM 0 H ILE A 113 -5.123 -0.779 0.170 1.00 54.23 H new ATOM 0 HA ILE A 113 -3.365 -2.745 -1.123 1.00 12.12 H new ATOM 0 HB ILE A 113 -5.687 -3.206 0.809 1.00 13.14 H new ATOM 0 HG12 ILE A 113 -2.707 -3.106 1.411 1.00 53.41 H new ATOM 0 HG13 ILE A 113 -3.851 -1.842 1.819 1.00 53.41 H new ATOM 0 HG21 ILE A 113 -4.647 -5.422 1.117 1.00 21.33 H new ATOM 0 HG22 ILE A 113 -5.113 -5.145 -0.578 1.00 21.33 H new ATOM 0 HG23 ILE A 113 -3.408 -5.004 -0.090 1.00 21.33 H new ATOM 0 HD11 ILE A 113 -3.373 -3.252 3.760 1.00 71.20 H new ATOM 0 HD12 ILE A 113 -5.080 -3.408 3.280 1.00 71.20 H new ATOM 0 HD13 ILE A 113 -3.919 -4.691 2.865 1.00 71.20 H new ATOM 1753 N LEU A 114 -4.950 -3.551 -2.831 1.00 25.05 N ATOM 1754 CA LEU A 114 -5.822 -3.999 -3.899 1.00 75.02 C ATOM 1755 C LEU A 114 -5.618 -5.487 -4.145 1.00 71.22 C ATOM 1756 O LEU A 114 -4.536 -5.914 -4.558 1.00 74.02 O ATOM 1757 CB LEU A 114 -5.552 -3.213 -5.191 1.00 65.42 C ATOM 1758 CG LEU A 114 -6.318 -3.690 -6.437 1.00 43.32 C ATOM 1759 CD1 LEU A 114 -7.817 -3.509 -6.262 1.00 41.31 C ATOM 1760 CD2 LEU A 114 -5.834 -2.957 -7.676 1.00 10.04 C ATOM 0 H LEU A 114 -3.977 -3.838 -2.941 1.00 25.05 H new ATOM 0 HA LEU A 114 -6.854 -3.821 -3.598 1.00 75.02 H new ATOM 0 HB2 LEU A 114 -5.798 -2.166 -5.015 1.00 65.42 H new ATOM 0 HB3 LEU A 114 -4.484 -3.258 -5.405 1.00 65.42 H new ATOM 0 HG LEU A 114 -6.120 -4.754 -6.565 1.00 43.32 H new ATOM 0 HD11 LEU A 114 -8.332 -3.855 -7.158 1.00 41.31 H new ATOM 0 HD12 LEU A 114 -8.156 -4.088 -5.403 1.00 41.31 H new ATOM 0 HD13 LEU A 114 -8.040 -2.454 -6.099 1.00 41.31 H new ATOM 0 HD21 LEU A 114 -6.388 -3.309 -8.546 1.00 10.04 H new ATOM 0 HD22 LEU A 114 -5.995 -1.886 -7.551 1.00 10.04 H new ATOM 0 HD23 LEU A 114 -4.771 -3.149 -7.821 1.00 10.04 H new ATOM 1772 N ARG A 115 -6.642 -6.275 -3.871 1.00 2.31 N ATOM 1773 CA ARG A 115 -6.567 -7.708 -4.097 1.00 30.31 C ATOM 1774 C ARG A 115 -6.939 -8.049 -5.518 1.00 11.12 C ATOM 1775 O ARG A 115 -8.089 -7.875 -5.924 1.00 40.45 O ATOM 1776 CB ARG A 115 -7.480 -8.476 -3.151 1.00 23.14 C ATOM 1777 CG ARG A 115 -6.926 -8.677 -1.761 1.00 33.42 C ATOM 1778 CD ARG A 115 -7.661 -9.804 -1.060 1.00 21.42 C ATOM 1779 NE ARG A 115 -7.629 -11.040 -1.857 1.00 74.34 N ATOM 1780 CZ ARG A 115 -8.453 -12.077 -1.688 1.00 30.50 C ATOM 1781 NH1 ARG A 115 -9.383 -12.050 -0.735 1.00 71.31 N ATOM 1782 NH2 ARG A 115 -8.349 -13.137 -2.480 1.00 65.53 N ATOM 0 H ARG A 115 -7.532 -5.949 -3.493 1.00 2.31 H new ATOM 0 HA ARG A 115 -5.535 -8.002 -3.907 1.00 30.31 H new ATOM 0 HB2 ARG A 115 -8.430 -7.946 -3.075 1.00 23.14 H new ATOM 0 HB3 ARG A 115 -7.693 -9.452 -3.587 1.00 23.14 H new ATOM 0 HG2 ARG A 115 -5.862 -8.906 -1.816 1.00 33.42 H new ATOM 0 HG3 ARG A 115 -7.025 -7.756 -1.186 1.00 33.42 H new ATOM 0 HD2 ARG A 115 -7.208 -9.985 -0.085 1.00 21.42 H new ATOM 0 HD3 ARG A 115 -8.695 -9.511 -0.881 1.00 21.42 H new ATOM 0 HE ARG A 115 -6.926 -11.110 -2.593 1.00 74.34 H new ATOM 0 HH11 ARG A 115 -9.469 -11.234 -0.129 1.00 71.31 H new ATOM 0 HH12 ARG A 115 -10.009 -12.845 -0.611 1.00 71.31 H new ATOM 0 HH21 ARG A 115 -7.642 -13.157 -3.214 1.00 65.53 H new ATOM 0 HH22 ARG A 115 -8.977 -13.931 -2.354 1.00 65.53 H new ATOM 1796 N THR A 116 -5.982 -8.531 -6.271 1.00 2.52 N ATOM 1797 CA THR A 116 -6.231 -8.923 -7.633 1.00 74.34 C ATOM 1798 C THR A 116 -6.721 -10.369 -7.690 1.00 71.02 C ATOM 1799 O THR A 116 -7.658 -10.695 -8.425 1.00 71.25 O ATOM 1800 CB THR A 116 -4.968 -8.756 -8.498 1.00 3.02 C ATOM 1801 OG1 THR A 116 -3.846 -9.369 -7.845 1.00 55.04 O ATOM 1802 CG2 THR A 116 -4.675 -7.281 -8.736 1.00 5.33 C ATOM 0 H THR A 116 -5.019 -8.661 -5.961 1.00 2.52 H new ATOM 0 HA THR A 116 -7.007 -8.271 -8.034 1.00 74.34 H new ATOM 0 HB THR A 116 -5.140 -9.240 -9.459 1.00 3.02 H new ATOM 0 HG1 THR A 116 -3.511 -10.107 -8.395 1.00 55.04 H new ATOM 0 HG21 THR A 116 -3.779 -7.182 -9.349 1.00 5.33 H new ATOM 0 HG22 THR A 116 -5.519 -6.821 -9.250 1.00 5.33 H new ATOM 0 HG23 THR A 116 -4.517 -6.783 -7.780 1.00 5.33 H new ATOM 1810 N GLU A 117 -6.099 -11.225 -6.895 1.00 3.44 N ATOM 1811 CA GLU A 117 -6.457 -12.629 -6.850 1.00 32.20 C ATOM 1812 C GLU A 117 -7.078 -12.989 -5.508 1.00 43.14 C ATOM 1813 O GLU A 117 -6.383 -12.888 -4.474 1.00 0.00 O ATOM 1814 CB GLU A 117 -5.244 -13.525 -7.141 1.00 21.24 C ATOM 1815 CG GLU A 117 -4.925 -13.707 -8.627 1.00 31.41 C ATOM 1816 CD GLU A 117 -4.672 -12.403 -9.356 1.00 64.14 C ATOM 1817 OE1 GLU A 117 -3.656 -11.750 -9.079 1.00 14.14 O ATOM 1818 OE2 GLU A 117 -5.497 -12.025 -10.214 1.00 52.51 O ATOM 1819 OXT GLU A 117 -8.256 -13.391 -5.492 1.00 0.00 O ATOM 0 H GLU A 117 -5.337 -10.966 -6.268 1.00 3.44 H new ATOM 0 HA GLU A 117 -7.198 -12.804 -7.630 1.00 32.20 H new ATOM 0 HB2 GLU A 117 -4.370 -13.103 -6.645 1.00 21.24 H new ATOM 0 HB3 GLU A 117 -5.419 -14.505 -6.698 1.00 21.24 H new ATOM 0 HG2 GLU A 117 -4.047 -14.346 -8.726 1.00 31.41 H new ATOM 0 HG3 GLU A 117 -5.754 -14.227 -9.107 1.00 31.41 H new TER 1826 GLU A 117