USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 724 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 23 SER OG : rot -100:sc= 0.606 USER MOD Set 1.2: A 26 SER OG : rot 70:sc= 0.572 USER MOD Single : A 1 MET CE :methyl -145:sc= -0.189 (180deg=-0.77) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 139:sc= 1.27 (180deg=-1.19) USER MOD Single : A 10 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.17) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.401 X(o=-0.4,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -4.01! K(o=-4!,f=-0.68) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0733 X(o=-0.073,f=-0.31) USER MOD Single : A 34 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.072) USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 0.602 (180deg=0.576) USER MOD Single : A 36 GLN : amide:sc= 0.264 K(o=0.26,f=-2.9!) USER MOD Single : A 38 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.8!) USER MOD Single : A 39 THR OG1 : rot -101:sc= 0.0719 USER MOD Single : A 48 THR OG1 : rot 137:sc= 0.383 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0961 USER MOD Single : A 62 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.38) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 65 THR OG1 : rot 7:sc= 0.636 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= 0.541 (180deg=0.352) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.215 K(o=-0.21,f=-0.8) USER MOD Single : A 82 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.0011) USER MOD Single : A 83 HIS : no HE2:sc= 0.0108 X(o=0.011,f=-0.46) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 85 HIS : no HD1:sc= 0.118 K(o=0.12,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.358 -4.743 6.154 1.00 52.30 N ATOM 2 CA MET A 1 -22.897 -4.709 6.387 1.00 64.22 C ATOM 3 C MET A 1 -22.203 -3.993 5.199 1.00 51.22 C ATOM 4 O MET A 1 -22.097 -4.585 4.116 1.00 15.41 O ATOM 5 CB MET A 1 -22.353 -6.155 6.570 1.00 54.42 C ATOM 6 CG MET A 1 -20.895 -6.249 7.063 1.00 55.11 C ATOM 7 SD MET A 1 -20.344 -7.961 7.306 1.00 33.55 S ATOM 8 CE MET A 1 -21.587 -8.606 8.442 1.00 63.41 C ATOM 0 H1 MET A 1 -24.825 -5.223 6.950 1.00 52.30 H new ATOM 0 H2 MET A 1 -24.720 -3.771 6.075 1.00 52.30 H new ATOM 0 H3 MET A 1 -24.557 -5.259 5.273 1.00 52.30 H new ATOM 0 HA MET A 1 -22.682 -4.153 7.300 1.00 64.22 H new ATOM 0 HB2 MET A 1 -22.994 -6.681 7.278 1.00 54.42 H new ATOM 0 HB3 MET A 1 -22.433 -6.679 5.618 1.00 54.42 H new ATOM 0 HG2 MET A 1 -20.240 -5.760 6.342 1.00 55.11 H new ATOM 0 HG3 MET A 1 -20.798 -5.704 8.002 1.00 55.11 H new ATOM 0 HE1 MET A 1 -21.121 -9.312 9.129 1.00 63.41 H new ATOM 0 HE2 MET A 1 -22.024 -7.784 9.008 1.00 63.41 H new ATOM 0 HE3 MET A 1 -22.369 -9.113 7.876 1.00 63.41 H new ATOM 20 N PRO A 2 -21.743 -2.704 5.368 1.00 15.10 N ATOM 21 CA PRO A 2 -21.119 -1.901 4.265 1.00 61.33 C ATOM 22 C PRO A 2 -19.722 -2.407 3.827 1.00 13.14 C ATOM 23 O PRO A 2 -19.205 -1.962 2.796 1.00 13.20 O ATOM 24 CB PRO A 2 -21.029 -0.479 4.882 1.00 63.12 C ATOM 25 CG PRO A 2 -20.911 -0.722 6.354 1.00 33.40 C ATOM 26 CD PRO A 2 -21.806 -1.910 6.636 1.00 53.25 C ATOM 0 HA PRO A 2 -21.706 -1.959 3.348 1.00 61.33 H new ATOM 0 HB2 PRO A 2 -20.167 0.067 4.499 1.00 63.12 H new ATOM 0 HB3 PRO A 2 -21.913 0.114 4.646 1.00 63.12 H new ATOM 0 HG2 PRO A 2 -19.879 -0.931 6.637 1.00 33.40 H new ATOM 0 HG3 PRO A 2 -21.227 0.152 6.923 1.00 33.40 H new ATOM 0 HD2 PRO A 2 -21.450 -2.487 7.489 1.00 53.25 H new ATOM 0 HD3 PRO A 2 -22.825 -1.599 6.865 1.00 53.25 H new ATOM 34 N SER A 3 -19.131 -3.327 4.635 1.00 74.31 N ATOM 35 CA SER A 3 -17.771 -3.897 4.432 1.00 61.25 C ATOM 36 C SER A 3 -16.685 -2.818 4.643 1.00 65.21 C ATOM 37 O SER A 3 -15.588 -2.893 4.082 1.00 4.21 O ATOM 38 CB SER A 3 -17.657 -4.593 3.053 1.00 64.02 C ATOM 39 OG SER A 3 -18.673 -5.573 2.902 1.00 12.14 O ATOM 0 H SER A 3 -19.596 -3.701 5.462 1.00 74.31 H new ATOM 0 HA SER A 3 -17.604 -4.667 5.185 1.00 61.25 H new ATOM 0 HB2 SER A 3 -17.738 -3.852 2.258 1.00 64.02 H new ATOM 0 HB3 SER A 3 -16.677 -5.060 2.955 1.00 64.02 H new ATOM 0 HG SER A 3 -18.587 -6.001 2.025 1.00 12.14 H new ATOM 45 N GLU A 4 -17.004 -1.868 5.549 1.00 43.13 N ATOM 46 CA GLU A 4 -16.179 -0.681 5.854 1.00 33.11 C ATOM 47 C GLU A 4 -14.860 -1.057 6.564 1.00 64.04 C ATOM 48 O GLU A 4 -13.886 -0.320 6.489 1.00 64.11 O ATOM 49 CB GLU A 4 -16.991 0.299 6.736 1.00 2.43 C ATOM 50 CG GLU A 4 -16.298 1.652 7.039 1.00 43.21 C ATOM 51 CD GLU A 4 -17.088 2.522 8.032 1.00 24.54 C ATOM 52 OE1 GLU A 4 -18.107 3.127 7.628 1.00 11.43 O ATOM 53 OE2 GLU A 4 -16.714 2.587 9.225 1.00 42.31 O ATOM 0 H GLU A 4 -17.861 -1.907 6.100 1.00 43.13 H new ATOM 0 HA GLU A 4 -15.916 -0.206 4.909 1.00 33.11 H new ATOM 0 HB2 GLU A 4 -17.943 0.500 6.244 1.00 2.43 H new ATOM 0 HB3 GLU A 4 -17.218 -0.193 7.682 1.00 2.43 H new ATOM 0 HG2 GLU A 4 -15.303 1.462 7.442 1.00 43.21 H new ATOM 0 HG3 GLU A 4 -16.165 2.203 6.108 1.00 43.21 H new ATOM 60 N GLU A 5 -14.838 -2.189 7.282 1.00 61.33 N ATOM 61 CA GLU A 5 -13.608 -2.679 7.942 1.00 64.52 C ATOM 62 C GLU A 5 -12.799 -3.567 6.974 1.00 10.43 C ATOM 63 O GLU A 5 -11.562 -3.617 7.052 1.00 72.51 O ATOM 64 CB GLU A 5 -13.952 -3.421 9.252 1.00 64.43 C ATOM 65 CG GLU A 5 -14.771 -2.569 10.245 1.00 21.33 C ATOM 66 CD GLU A 5 -14.927 -3.224 11.624 1.00 51.22 C ATOM 67 OE1 GLU A 5 -14.422 -2.666 12.627 1.00 72.43 O ATOM 68 OE2 GLU A 5 -15.530 -4.315 11.707 1.00 34.40 O ATOM 0 H GLU A 5 -15.654 -2.785 7.423 1.00 61.33 H new ATOM 0 HA GLU A 5 -12.984 -1.825 8.207 1.00 64.52 H new ATOM 0 HB2 GLU A 5 -14.513 -4.324 9.012 1.00 64.43 H new ATOM 0 HB3 GLU A 5 -13.027 -3.738 9.734 1.00 64.43 H new ATOM 0 HG2 GLU A 5 -14.289 -1.599 10.364 1.00 21.33 H new ATOM 0 HG3 GLU A 5 -15.760 -2.384 9.825 1.00 21.33 H new ATOM 75 N GLU A 6 -13.507 -4.234 6.030 1.00 54.15 N ATOM 76 CA GLU A 6 -12.866 -5.145 5.057 1.00 22.12 C ATOM 77 C GLU A 6 -12.222 -4.374 3.893 1.00 40.34 C ATOM 78 O GLU A 6 -11.276 -4.871 3.286 1.00 11.02 O ATOM 79 CB GLU A 6 -13.852 -6.207 4.507 1.00 51.50 C ATOM 80 CG GLU A 6 -13.163 -7.261 3.609 1.00 32.04 C ATOM 81 CD GLU A 6 -14.095 -8.370 3.136 1.00 73.30 C ATOM 82 OE1 GLU A 6 -14.668 -8.258 2.033 1.00 72.21 O ATOM 83 OE2 GLU A 6 -14.262 -9.361 3.873 1.00 25.11 O ATOM 0 H GLU A 6 -14.519 -4.157 5.924 1.00 54.15 H new ATOM 0 HA GLU A 6 -12.081 -5.666 5.605 1.00 22.12 H new ATOM 0 HB2 GLU A 6 -14.338 -6.711 5.342 1.00 51.50 H new ATOM 0 HB3 GLU A 6 -14.635 -5.707 3.937 1.00 51.50 H new ATOM 0 HG2 GLU A 6 -12.738 -6.761 2.739 1.00 32.04 H new ATOM 0 HG3 GLU A 6 -12.333 -7.706 4.158 1.00 32.04 H new ATOM 90 N GLU A 7 -12.723 -3.160 3.595 1.00 33.44 N ATOM 91 CA GLU A 7 -12.156 -2.324 2.517 1.00 23.04 C ATOM 92 C GLU A 7 -10.671 -1.999 2.808 1.00 22.00 C ATOM 93 O GLU A 7 -9.882 -1.948 1.891 1.00 14.33 O ATOM 94 CB GLU A 7 -12.978 -1.035 2.307 1.00 24.22 C ATOM 95 CG GLU A 7 -13.030 -0.123 3.534 1.00 43.42 C ATOM 96 CD GLU A 7 -13.622 1.271 3.280 1.00 71.22 C ATOM 97 OE1 GLU A 7 -12.868 2.272 3.365 1.00 32.34 O ATOM 98 OE2 GLU A 7 -14.837 1.378 3.026 1.00 10.51 O ATOM 0 H GLU A 7 -13.514 -2.738 4.081 1.00 33.44 H new ATOM 0 HA GLU A 7 -12.207 -2.893 1.589 1.00 23.04 H new ATOM 0 HB2 GLU A 7 -12.554 -0.478 1.471 1.00 24.22 H new ATOM 0 HB3 GLU A 7 -13.995 -1.307 2.026 1.00 24.22 H new ATOM 0 HG2 GLU A 7 -13.617 -0.615 4.309 1.00 43.42 H new ATOM 0 HG3 GLU A 7 -12.019 -0.007 3.925 1.00 43.42 H new ATOM 105 N LYS A 8 -10.314 -1.839 4.114 1.00 63.22 N ATOM 106 CA LYS A 8 -8.914 -1.615 4.551 1.00 32.43 C ATOM 107 C LYS A 8 -8.055 -2.849 4.224 1.00 35.24 C ATOM 108 O LYS A 8 -6.949 -2.713 3.714 1.00 44.13 O ATOM 109 CB LYS A 8 -8.805 -1.291 6.081 1.00 42.31 C ATOM 110 CG LYS A 8 -9.251 0.137 6.485 1.00 32.42 C ATOM 111 CD LYS A 8 -10.772 0.361 6.349 1.00 31.12 C ATOM 112 CE LYS A 8 -11.185 1.820 6.569 1.00 12.03 C ATOM 113 NZ LYS A 8 -12.651 2.024 6.432 1.00 20.41 N ATOM 0 H LYS A 8 -10.984 -1.862 4.882 1.00 63.22 H new ATOM 0 HA LYS A 8 -8.546 -0.746 4.005 1.00 32.43 H new ATOM 0 HB2 LYS A 8 -9.407 -2.013 6.633 1.00 42.31 H new ATOM 0 HB3 LYS A 8 -7.771 -1.434 6.394 1.00 42.31 H new ATOM 0 HG2 LYS A 8 -8.954 0.325 7.517 1.00 32.42 H new ATOM 0 HG3 LYS A 8 -8.726 0.864 5.864 1.00 32.42 H new ATOM 0 HD2 LYS A 8 -11.093 0.044 5.357 1.00 31.12 H new ATOM 0 HD3 LYS A 8 -11.292 -0.271 7.069 1.00 31.12 H new ATOM 0 HE2 LYS A 8 -10.869 2.138 7.562 1.00 12.03 H new ATOM 0 HE3 LYS A 8 -10.665 2.454 5.851 1.00 12.03 H new ATOM 0 HZ1 LYS A 8 -12.981 2.676 7.172 1.00 20.41 H new ATOM 0 HZ2 LYS A 8 -12.859 2.427 5.496 1.00 20.41 H new ATOM 0 HZ3 LYS A 8 -13.139 1.111 6.532 1.00 20.41 H new ATOM 127 N ARG A 9 -8.616 -4.041 4.512 1.00 73.40 N ATOM 128 CA ARG A 9 -7.979 -5.348 4.232 1.00 70.12 C ATOM 129 C ARG A 9 -7.665 -5.481 2.731 1.00 33.12 C ATOM 130 O ARG A 9 -6.567 -5.891 2.341 1.00 51.15 O ATOM 131 CB ARG A 9 -8.905 -6.499 4.707 1.00 14.54 C ATOM 132 CG ARG A 9 -9.188 -6.509 6.226 1.00 2.32 C ATOM 133 CD ARG A 9 -10.276 -7.527 6.623 1.00 0.13 C ATOM 134 NE ARG A 9 -9.993 -8.875 6.099 1.00 32.32 N ATOM 135 CZ ARG A 9 -10.804 -9.944 6.193 1.00 12.21 C ATOM 136 NH1 ARG A 9 -11.988 -9.870 6.801 1.00 54.50 N ATOM 137 NH2 ARG A 9 -10.426 -11.086 5.636 1.00 4.43 N ATOM 0 H ARG A 9 -9.533 -4.126 4.950 1.00 73.40 H new ATOM 0 HA ARG A 9 -7.039 -5.410 4.780 1.00 70.12 H new ATOM 0 HB2 ARG A 9 -9.853 -6.429 4.174 1.00 14.54 H new ATOM 0 HB3 ARG A 9 -8.453 -7.451 4.428 1.00 14.54 H new ATOM 0 HG2 ARG A 9 -8.267 -6.741 6.761 1.00 2.32 H new ATOM 0 HG3 ARG A 9 -9.497 -5.512 6.540 1.00 2.32 H new ATOM 0 HD2 ARG A 9 -10.352 -7.570 7.709 1.00 0.13 H new ATOM 0 HD3 ARG A 9 -11.242 -7.189 6.249 1.00 0.13 H new ATOM 0 HE ARG A 9 -9.102 -9.010 5.622 1.00 32.32 H new ATOM 0 HH11 ARG A 9 -12.298 -8.988 7.209 1.00 54.50 H new ATOM 0 HH12 ARG A 9 -12.584 -10.696 6.859 1.00 54.50 H new ATOM 0 HH21 ARG A 9 -9.533 -11.144 5.146 1.00 4.43 H new ATOM 0 HH22 ARG A 9 -11.028 -11.907 5.697 1.00 4.43 H new ATOM 151 N GLN A 10 -8.647 -5.060 1.916 1.00 3.11 N ATOM 152 CA GLN A 10 -8.560 -5.065 0.450 1.00 22.11 C ATOM 153 C GLN A 10 -7.461 -4.094 -0.039 1.00 21.21 C ATOM 154 O GLN A 10 -6.616 -4.477 -0.834 1.00 30.13 O ATOM 155 CB GLN A 10 -9.952 -4.715 -0.157 1.00 14.24 C ATOM 156 CG GLN A 10 -11.042 -5.763 0.141 1.00 60.50 C ATOM 157 CD GLN A 10 -12.409 -5.394 -0.432 1.00 14.34 C ATOM 158 OE1 GLN A 10 -12.719 -5.715 -1.580 1.00 42.14 O ATOM 159 NE2 GLN A 10 -13.235 -4.728 0.357 1.00 62.41 N ATOM 0 H GLN A 10 -9.536 -4.702 2.265 1.00 3.11 H new ATOM 0 HA GLN A 10 -8.279 -6.062 0.110 1.00 22.11 H new ATOM 0 HB2 GLN A 10 -10.274 -3.749 0.231 1.00 14.24 H new ATOM 0 HB3 GLN A 10 -9.850 -4.607 -1.237 1.00 14.24 H new ATOM 0 HG2 GLN A 10 -10.732 -6.725 -0.267 1.00 60.50 H new ATOM 0 HG3 GLN A 10 -11.130 -5.888 1.220 1.00 60.50 H new ATOM 0 HE21 GLN A 10 -12.946 -4.478 1.303 1.00 62.41 H new ATOM 0 HE22 GLN A 10 -14.161 -4.464 0.020 1.00 62.41 H new ATOM 168 N VAL A 11 -7.460 -2.873 0.530 1.00 32.43 N ATOM 169 CA VAL A 11 -6.535 -1.770 0.167 1.00 21.42 C ATOM 170 C VAL A 11 -5.060 -2.133 0.460 1.00 40.15 C ATOM 171 O VAL A 11 -4.174 -1.814 -0.340 1.00 22.15 O ATOM 172 CB VAL A 11 -6.955 -0.445 0.927 1.00 12.33 C ATOM 173 CG1 VAL A 11 -5.880 0.651 0.864 1.00 61.13 C ATOM 174 CG2 VAL A 11 -8.277 0.100 0.364 1.00 72.14 C ATOM 0 H VAL A 11 -8.113 -2.616 1.270 1.00 32.43 H new ATOM 0 HA VAL A 11 -6.612 -1.604 -0.908 1.00 21.42 H new ATOM 0 HB VAL A 11 -7.078 -0.719 1.975 1.00 12.33 H new ATOM 0 HG11 VAL A 11 -6.227 1.533 1.403 1.00 61.13 H new ATOM 0 HG12 VAL A 11 -4.960 0.285 1.321 1.00 61.13 H new ATOM 0 HG13 VAL A 11 -5.689 0.914 -0.176 1.00 61.13 H new ATOM 0 HG21 VAL A 11 -8.552 1.010 0.897 1.00 72.14 H new ATOM 0 HG22 VAL A 11 -8.157 0.322 -0.696 1.00 72.14 H new ATOM 0 HG23 VAL A 11 -9.062 -0.646 0.492 1.00 72.14 H new ATOM 184 N LYS A 12 -4.826 -2.813 1.599 1.00 13.24 N ATOM 185 CA LYS A 12 -3.482 -3.268 2.018 1.00 22.32 C ATOM 186 C LYS A 12 -2.927 -4.301 1.015 1.00 34.11 C ATOM 187 O LYS A 12 -1.728 -4.306 0.717 1.00 13.11 O ATOM 188 CB LYS A 12 -3.534 -3.888 3.439 1.00 5.53 C ATOM 189 CG LYS A 12 -3.927 -2.913 4.578 1.00 53.33 C ATOM 190 CD LYS A 12 -3.945 -3.603 5.969 1.00 41.13 C ATOM 191 CE LYS A 12 -4.908 -4.805 6.039 1.00 53.41 C ATOM 192 NZ LYS A 12 -4.826 -5.526 7.341 1.00 14.14 N ATOM 0 H LYS A 12 -5.564 -3.064 2.257 1.00 13.24 H new ATOM 0 HA LYS A 12 -2.820 -2.402 2.038 1.00 22.32 H new ATOM 0 HB2 LYS A 12 -4.245 -4.714 3.430 1.00 5.53 H new ATOM 0 HB3 LYS A 12 -2.556 -4.311 3.668 1.00 5.53 H new ATOM 0 HG2 LYS A 12 -3.224 -2.080 4.598 1.00 53.33 H new ATOM 0 HG3 LYS A 12 -4.912 -2.494 4.370 1.00 53.33 H new ATOM 0 HD2 LYS A 12 -2.937 -3.939 6.214 1.00 41.13 H new ATOM 0 HD3 LYS A 12 -4.231 -2.873 6.726 1.00 41.13 H new ATOM 0 HE2 LYS A 12 -5.929 -4.458 5.883 1.00 53.41 H new ATOM 0 HE3 LYS A 12 -4.680 -5.497 5.229 1.00 53.41 H new ATOM 0 HZ1 LYS A 12 -5.492 -6.325 7.338 1.00 14.14 H new ATOM 0 HZ2 LYS A 12 -3.859 -5.882 7.480 1.00 14.14 H new ATOM 0 HZ3 LYS A 12 -5.070 -4.875 8.114 1.00 14.14 H new ATOM 206 N GLN A 13 -3.834 -5.163 0.504 1.00 2.43 N ATOM 207 CA GLN A 13 -3.499 -6.209 -0.478 1.00 73.51 C ATOM 208 C GLN A 13 -3.191 -5.578 -1.863 1.00 74.42 C ATOM 209 O GLN A 13 -2.212 -5.950 -2.510 1.00 60.31 O ATOM 210 CB GLN A 13 -4.655 -7.243 -0.580 1.00 73.05 C ATOM 211 CG GLN A 13 -4.359 -8.440 -1.513 1.00 12.43 C ATOM 212 CD GLN A 13 -5.502 -9.455 -1.660 1.00 75.34 C ATOM 213 OE1 GLN A 13 -5.262 -10.654 -1.845 1.00 32.21 O ATOM 214 NE2 GLN A 13 -6.742 -8.991 -1.636 1.00 3.40 N ATOM 0 H GLN A 13 -4.820 -5.150 0.764 1.00 2.43 H new ATOM 0 HA GLN A 13 -2.604 -6.732 -0.141 1.00 73.51 H new ATOM 0 HB2 GLN A 13 -4.877 -7.622 0.418 1.00 73.05 H new ATOM 0 HB3 GLN A 13 -5.551 -6.734 -0.935 1.00 73.05 H new ATOM 0 HG2 GLN A 13 -4.107 -8.056 -2.501 1.00 12.43 H new ATOM 0 HG3 GLN A 13 -3.478 -8.961 -1.140 1.00 12.43 H new ATOM 0 HE21 GLN A 13 -6.912 -7.997 -1.481 1.00 3.40 H new ATOM 0 HE22 GLN A 13 -7.527 -9.627 -1.772 1.00 3.40 H new ATOM 223 N VAL A 14 -4.030 -4.597 -2.276 1.00 20.53 N ATOM 224 CA VAL A 14 -3.852 -3.825 -3.533 1.00 22.14 C ATOM 225 C VAL A 14 -2.485 -3.096 -3.527 1.00 4.51 C ATOM 226 O VAL A 14 -1.754 -3.105 -4.521 1.00 23.21 O ATOM 227 CB VAL A 14 -5.027 -2.775 -3.723 1.00 13.34 C ATOM 228 CG1 VAL A 14 -4.809 -1.872 -4.959 1.00 51.21 C ATOM 229 CG2 VAL A 14 -6.409 -3.474 -3.815 1.00 3.33 C ATOM 0 H VAL A 14 -4.854 -4.317 -1.744 1.00 20.53 H new ATOM 0 HA VAL A 14 -3.877 -4.525 -4.368 1.00 22.14 H new ATOM 0 HB VAL A 14 -5.016 -2.141 -2.836 1.00 13.34 H new ATOM 0 HG11 VAL A 14 -5.638 -1.170 -5.048 1.00 51.21 H new ATOM 0 HG12 VAL A 14 -3.876 -1.319 -4.846 1.00 51.21 H new ATOM 0 HG13 VAL A 14 -4.758 -2.489 -5.856 1.00 51.21 H new ATOM 0 HG21 VAL A 14 -7.189 -2.723 -3.945 1.00 3.33 H new ATOM 0 HG22 VAL A 14 -6.416 -4.155 -4.666 1.00 3.33 H new ATOM 0 HG23 VAL A 14 -6.595 -4.035 -2.899 1.00 3.33 H new ATOM 239 N ALA A 15 -2.159 -2.521 -2.361 1.00 42.21 N ATOM 240 CA ALA A 15 -0.935 -1.734 -2.137 1.00 22.54 C ATOM 241 C ALA A 15 0.337 -2.610 -2.236 1.00 12.24 C ATOM 242 O ALA A 15 1.285 -2.269 -2.967 1.00 20.43 O ATOM 243 CB ALA A 15 -1.021 -1.050 -0.761 1.00 20.32 C ATOM 0 H ALA A 15 -2.748 -2.590 -1.531 1.00 42.21 H new ATOM 0 HA ALA A 15 -0.860 -0.978 -2.918 1.00 22.54 H new ATOM 0 HB1 ALA A 15 -0.118 -0.465 -0.588 1.00 20.32 H new ATOM 0 HB2 ALA A 15 -1.890 -0.392 -0.735 1.00 20.32 H new ATOM 0 HB3 ALA A 15 -1.117 -1.808 0.017 1.00 20.32 H new ATOM 249 N LYS A 16 0.315 -3.761 -1.525 1.00 32.31 N ATOM 250 CA LYS A 16 1.479 -4.673 -1.432 1.00 55.22 C ATOM 251 C LYS A 16 1.783 -5.322 -2.794 1.00 43.00 C ATOM 252 O LYS A 16 2.930 -5.640 -3.067 1.00 21.13 O ATOM 253 CB LYS A 16 1.271 -5.758 -0.334 1.00 45.15 C ATOM 254 CG LYS A 16 0.271 -6.883 -0.674 1.00 53.32 C ATOM 255 CD LYS A 16 0.085 -7.897 0.481 1.00 45.43 C ATOM 256 CE LYS A 16 1.402 -8.565 0.923 1.00 35.12 C ATOM 257 NZ LYS A 16 1.201 -9.472 2.089 1.00 11.52 N ATOM 0 H LYS A 16 -0.501 -4.082 -1.004 1.00 32.31 H new ATOM 0 HA LYS A 16 2.341 -4.072 -1.142 1.00 55.22 H new ATOM 0 HB2 LYS A 16 2.237 -6.212 -0.113 1.00 45.15 H new ATOM 0 HB3 LYS A 16 0.935 -5.264 0.578 1.00 45.15 H new ATOM 0 HG2 LYS A 16 -0.694 -6.441 -0.921 1.00 53.32 H new ATOM 0 HG3 LYS A 16 0.616 -7.412 -1.562 1.00 53.32 H new ATOM 0 HD2 LYS A 16 -0.360 -7.387 1.335 1.00 45.43 H new ATOM 0 HD3 LYS A 16 -0.619 -8.668 0.168 1.00 45.43 H new ATOM 0 HE2 LYS A 16 1.819 -9.131 0.090 1.00 35.12 H new ATOM 0 HE3 LYS A 16 2.130 -7.796 1.182 1.00 35.12 H new ATOM 0 HZ1 LYS A 16 2.110 -9.901 2.355 1.00 11.52 H new ATOM 0 HZ2 LYS A 16 0.827 -8.927 2.892 1.00 11.52 H new ATOM 0 HZ3 LYS A 16 0.526 -10.221 1.834 1.00 11.52 H new ATOM 271 N GLU A 17 0.737 -5.488 -3.634 1.00 1.11 N ATOM 272 CA GLU A 17 0.872 -6.016 -5.009 1.00 53.43 C ATOM 273 C GLU A 17 1.777 -5.122 -5.868 1.00 43.40 C ATOM 274 O GLU A 17 2.645 -5.625 -6.576 1.00 25.32 O ATOM 275 CB GLU A 17 -0.522 -6.166 -5.675 1.00 75.32 C ATOM 276 CG GLU A 17 -1.323 -7.386 -5.193 1.00 40.05 C ATOM 277 CD GLU A 17 -2.785 -7.393 -5.664 1.00 14.04 C ATOM 278 OE1 GLU A 17 -3.041 -7.119 -6.861 1.00 12.22 O ATOM 279 OE2 GLU A 17 -3.686 -7.686 -4.853 1.00 43.33 O ATOM 0 H GLU A 17 -0.223 -5.260 -3.378 1.00 1.11 H new ATOM 0 HA GLU A 17 1.338 -6.999 -4.940 1.00 53.43 H new ATOM 0 HB2 GLU A 17 -1.103 -5.264 -5.482 1.00 75.32 H new ATOM 0 HB3 GLU A 17 -0.391 -6.235 -6.755 1.00 75.32 H new ATOM 0 HG2 GLU A 17 -0.833 -8.293 -5.546 1.00 40.05 H new ATOM 0 HG3 GLU A 17 -1.302 -7.416 -4.104 1.00 40.05 H new ATOM 286 N LYS A 18 1.578 -3.795 -5.759 1.00 21.51 N ATOM 287 CA LYS A 18 2.345 -2.798 -6.541 1.00 4.25 C ATOM 288 C LYS A 18 3.799 -2.738 -6.042 1.00 22.54 C ATOM 289 O LYS A 18 4.720 -2.384 -6.784 1.00 45.22 O ATOM 290 CB LYS A 18 1.665 -1.403 -6.458 1.00 62.41 C ATOM 291 CG LYS A 18 0.129 -1.432 -6.614 1.00 32.15 C ATOM 292 CD LYS A 18 -0.357 -2.166 -7.894 1.00 33.30 C ATOM 293 CE LYS A 18 -1.873 -2.429 -7.889 1.00 53.44 C ATOM 294 NZ LYS A 18 -2.291 -3.285 -9.033 1.00 64.31 N ATOM 0 H LYS A 18 0.887 -3.383 -5.132 1.00 21.51 H new ATOM 0 HA LYS A 18 2.357 -3.102 -7.588 1.00 4.25 H new ATOM 0 HB2 LYS A 18 1.912 -0.948 -5.499 1.00 62.41 H new ATOM 0 HB3 LYS A 18 2.085 -0.761 -7.233 1.00 62.41 H new ATOM 0 HG2 LYS A 18 -0.307 -1.917 -5.741 1.00 32.15 H new ATOM 0 HG3 LYS A 18 -0.245 -0.408 -6.629 1.00 32.15 H new ATOM 0 HD2 LYS A 18 -0.099 -1.570 -8.770 1.00 33.30 H new ATOM 0 HD3 LYS A 18 0.172 -3.115 -7.987 1.00 33.30 H new ATOM 0 HE2 LYS A 18 -2.155 -2.911 -6.953 1.00 53.44 H new ATOM 0 HE3 LYS A 18 -2.406 -1.479 -7.932 1.00 53.44 H new ATOM 0 HZ1 LYS A 18 -3.319 -3.439 -8.994 1.00 64.31 H new ATOM 0 HZ2 LYS A 18 -2.045 -2.814 -9.927 1.00 64.31 H new ATOM 0 HZ3 LYS A 18 -1.801 -4.201 -8.978 1.00 64.31 H new ATOM 308 N LEU A 19 3.976 -3.091 -4.758 1.00 53.31 N ATOM 309 CA LEU A 19 5.296 -3.234 -4.131 1.00 44.32 C ATOM 310 C LEU A 19 5.992 -4.539 -4.583 1.00 22.53 C ATOM 311 O LEU A 19 7.218 -4.583 -4.713 1.00 63.22 O ATOM 312 CB LEU A 19 5.146 -3.154 -2.591 1.00 13.11 C ATOM 313 CG LEU A 19 4.513 -1.836 -2.043 1.00 43.44 C ATOM 314 CD1 LEU A 19 4.689 -1.717 -0.526 1.00 64.51 C ATOM 315 CD2 LEU A 19 5.061 -0.595 -2.768 1.00 15.41 C ATOM 0 H LEU A 19 3.201 -3.286 -4.124 1.00 53.31 H new ATOM 0 HA LEU A 19 5.939 -2.415 -4.455 1.00 44.32 H new ATOM 0 HB2 LEU A 19 4.536 -3.994 -2.259 1.00 13.11 H new ATOM 0 HB3 LEU A 19 6.131 -3.278 -2.141 1.00 13.11 H new ATOM 0 HG LEU A 19 3.444 -1.885 -2.248 1.00 43.44 H new ATOM 0 HD11 LEU A 19 4.237 -0.788 -0.179 1.00 64.51 H new ATOM 0 HD12 LEU A 19 4.205 -2.562 -0.036 1.00 64.51 H new ATOM 0 HD13 LEU A 19 5.751 -1.717 -0.282 1.00 64.51 H new ATOM 0 HD21 LEU A 19 4.596 0.301 -2.358 1.00 15.41 H new ATOM 0 HD22 LEU A 19 6.141 -0.540 -2.629 1.00 15.41 H new ATOM 0 HD23 LEU A 19 4.835 -0.666 -3.832 1.00 15.41 H new ATOM 327 N LEU A 20 5.187 -5.584 -4.851 1.00 64.43 N ATOM 328 CA LEU A 20 5.677 -6.875 -5.383 1.00 0.52 C ATOM 329 C LEU A 20 6.074 -6.754 -6.870 1.00 75.20 C ATOM 330 O LEU A 20 6.844 -7.571 -7.371 1.00 63.13 O ATOM 331 CB LEU A 20 4.610 -7.991 -5.185 1.00 42.01 C ATOM 332 CG LEU A 20 4.309 -8.395 -3.709 1.00 2.03 C ATOM 333 CD1 LEU A 20 3.156 -9.415 -3.619 1.00 73.32 C ATOM 334 CD2 LEU A 20 5.576 -8.908 -3.003 1.00 3.21 C ATOM 0 H LEU A 20 4.178 -5.560 -4.706 1.00 64.43 H new ATOM 0 HA LEU A 20 6.570 -7.150 -4.822 1.00 0.52 H new ATOM 0 HB2 LEU A 20 3.679 -7.663 -5.648 1.00 42.01 H new ATOM 0 HB3 LEU A 20 4.938 -8.880 -5.724 1.00 42.01 H new ATOM 0 HG LEU A 20 3.981 -7.497 -3.185 1.00 2.03 H new ATOM 0 HD11 LEU A 20 2.977 -9.671 -2.575 1.00 73.32 H new ATOM 0 HD12 LEU A 20 2.252 -8.981 -4.046 1.00 73.32 H new ATOM 0 HD13 LEU A 20 3.423 -10.315 -4.173 1.00 73.32 H new ATOM 0 HD21 LEU A 20 5.335 -9.182 -1.976 1.00 3.21 H new ATOM 0 HD22 LEU A 20 5.958 -9.781 -3.531 1.00 3.21 H new ATOM 0 HD23 LEU A 20 6.334 -8.125 -3.001 1.00 3.21 H new ATOM 346 N GLU A 21 5.533 -5.737 -7.571 1.00 30.24 N ATOM 347 CA GLU A 21 5.929 -5.426 -8.966 1.00 24.11 C ATOM 348 C GLU A 21 7.391 -4.936 -9.005 1.00 33.31 C ATOM 349 O GLU A 21 8.145 -5.228 -9.937 1.00 61.40 O ATOM 350 CB GLU A 21 4.988 -4.349 -9.583 1.00 10.13 C ATOM 351 CG GLU A 21 3.484 -4.688 -9.534 1.00 15.04 C ATOM 352 CD GLU A 21 3.114 -6.004 -10.243 1.00 0.20 C ATOM 353 OE1 GLU A 21 2.851 -5.976 -11.460 1.00 73.44 O ATOM 354 OE2 GLU A 21 3.081 -7.071 -9.587 1.00 72.03 O ATOM 0 H GLU A 21 4.818 -5.114 -7.195 1.00 30.24 H new ATOM 0 HA GLU A 21 5.842 -6.337 -9.558 1.00 24.11 H new ATOM 0 HB2 GLU A 21 5.149 -3.406 -9.061 1.00 10.13 H new ATOM 0 HB3 GLU A 21 5.275 -4.191 -10.623 1.00 10.13 H new ATOM 0 HG2 GLU A 21 3.170 -4.748 -8.492 1.00 15.04 H new ATOM 0 HG3 GLU A 21 2.923 -3.872 -9.990 1.00 15.04 H new ATOM 361 N GLN A 22 7.761 -4.186 -7.958 1.00 61.34 N ATOM 362 CA GLN A 22 9.103 -3.606 -7.786 1.00 5.14 C ATOM 363 C GLN A 22 10.088 -4.647 -7.219 1.00 3.30 C ATOM 364 O GLN A 22 11.241 -4.738 -7.664 1.00 54.20 O ATOM 365 CB GLN A 22 8.992 -2.393 -6.830 1.00 62.02 C ATOM 366 CG GLN A 22 8.068 -1.265 -7.329 1.00 72.41 C ATOM 367 CD GLN A 22 7.810 -0.214 -6.255 1.00 11.41 C ATOM 368 OE1 GLN A 22 8.549 0.754 -6.112 1.00 1.40 O ATOM 369 NE2 GLN A 22 6.753 -0.395 -5.496 1.00 60.34 N ATOM 0 H GLN A 22 7.126 -3.960 -7.192 1.00 61.34 H new ATOM 0 HA GLN A 22 9.487 -3.287 -8.755 1.00 5.14 H new ATOM 0 HB2 GLN A 22 8.629 -2.741 -5.863 1.00 62.02 H new ATOM 0 HB3 GLN A 22 9.989 -1.983 -6.667 1.00 62.02 H new ATOM 0 HG2 GLN A 22 8.517 -0.789 -8.201 1.00 72.41 H new ATOM 0 HG3 GLN A 22 7.119 -1.692 -7.653 1.00 72.41 H new ATOM 0 HE21 GLN A 22 6.156 -1.210 -5.638 1.00 60.34 H new ATOM 0 HE22 GLN A 22 6.529 0.280 -4.764 1.00 60.34 H new ATOM 378 N SER A 23 9.606 -5.437 -6.242 1.00 22.20 N ATOM 379 CA SER A 23 10.427 -6.399 -5.499 1.00 11.54 C ATOM 380 C SER A 23 9.523 -7.546 -4.968 1.00 30.21 C ATOM 381 O SER A 23 8.935 -7.424 -3.883 1.00 23.11 O ATOM 382 CB SER A 23 11.166 -5.667 -4.341 1.00 73.32 C ATOM 383 OG SER A 23 12.131 -6.500 -3.708 1.00 42.44 O ATOM 0 H SER A 23 8.630 -5.422 -5.947 1.00 22.20 H new ATOM 0 HA SER A 23 11.180 -6.837 -6.153 1.00 11.54 H new ATOM 0 HB2 SER A 23 11.658 -4.776 -4.732 1.00 73.32 H new ATOM 0 HB3 SER A 23 10.438 -5.331 -3.603 1.00 73.32 H new ATOM 0 HG SER A 23 11.760 -6.855 -2.873 1.00 42.44 H new ATOM 389 N PRO A 24 9.326 -8.646 -5.769 1.00 54.14 N ATOM 390 CA PRO A 24 8.532 -9.830 -5.334 1.00 62.44 C ATOM 391 C PRO A 24 9.285 -10.727 -4.331 1.00 32.05 C ATOM 392 O PRO A 24 8.666 -11.420 -3.516 1.00 73.53 O ATOM 393 CB PRO A 24 8.270 -10.579 -6.664 1.00 45.00 C ATOM 394 CG PRO A 24 9.440 -10.229 -7.535 1.00 32.04 C ATOM 395 CD PRO A 24 9.810 -8.801 -7.175 1.00 0.20 C ATOM 0 HA PRO A 24 7.626 -9.542 -4.802 1.00 62.44 H new ATOM 0 HB2 PRO A 24 8.202 -11.655 -6.506 1.00 45.00 H new ATOM 0 HB3 PRO A 24 7.330 -10.264 -7.118 1.00 45.00 H new ATOM 0 HG2 PRO A 24 10.276 -10.906 -7.358 1.00 32.04 H new ATOM 0 HG3 PRO A 24 9.181 -10.312 -8.590 1.00 32.04 H new ATOM 0 HD2 PRO A 24 10.885 -8.637 -7.248 1.00 0.20 H new ATOM 0 HD3 PRO A 24 9.332 -8.084 -7.843 1.00 0.20 H new ATOM 403 N ASN A 25 10.625 -10.690 -4.408 1.00 40.40 N ATOM 404 CA ASN A 25 11.514 -11.558 -3.611 1.00 14.54 C ATOM 405 C ASN A 25 11.469 -11.184 -2.117 1.00 22.51 C ATOM 406 O ASN A 25 11.715 -12.027 -1.247 1.00 25.21 O ATOM 407 CB ASN A 25 12.951 -11.467 -4.181 1.00 31.44 C ATOM 408 CG ASN A 25 13.955 -12.389 -3.484 1.00 70.52 C ATOM 409 OD1 ASN A 25 14.643 -11.994 -2.543 1.00 33.32 O ATOM 410 ND2 ASN A 25 14.028 -13.634 -3.931 1.00 42.22 N ATOM 0 H ASN A 25 11.127 -10.054 -5.028 1.00 40.40 H new ATOM 0 HA ASN A 25 11.170 -12.590 -3.683 1.00 14.54 H new ATOM 0 HB2 ASN A 25 12.926 -11.710 -5.243 1.00 31.44 H new ATOM 0 HB3 ASN A 25 13.300 -10.438 -4.098 1.00 31.44 H new ATOM 0 HD21 ASN A 25 14.668 -14.296 -3.493 1.00 42.22 H new ATOM 0 HD22 ASN A 25 13.444 -13.930 -4.713 1.00 42.22 H new ATOM 417 N SER A 26 11.137 -9.917 -1.841 1.00 32.44 N ATOM 418 CA SER A 26 10.993 -9.388 -0.476 1.00 63.50 C ATOM 419 C SER A 26 9.585 -9.686 0.083 1.00 24.01 C ATOM 420 O SER A 26 8.584 -9.561 -0.641 1.00 34.31 O ATOM 421 CB SER A 26 11.251 -7.871 -0.495 1.00 12.35 C ATOM 422 OG SER A 26 10.445 -7.216 -1.456 1.00 40.53 O ATOM 0 H SER A 26 10.959 -9.222 -2.566 1.00 32.44 H new ATOM 0 HA SER A 26 11.720 -9.875 0.174 1.00 63.50 H new ATOM 0 HB2 SER A 26 11.051 -7.455 0.492 1.00 12.35 H new ATOM 0 HB3 SER A 26 12.302 -7.683 -0.713 1.00 12.35 H new ATOM 0 HG SER A 26 9.510 -7.230 -1.163 1.00 40.53 H new ATOM 428 N LYS A 27 9.523 -10.084 1.369 1.00 54.23 N ATOM 429 CA LYS A 27 8.256 -10.307 2.081 1.00 43.13 C ATOM 430 C LYS A 27 7.735 -8.950 2.583 1.00 63.23 C ATOM 431 O LYS A 27 8.346 -8.331 3.469 1.00 61.22 O ATOM 432 CB LYS A 27 8.434 -11.316 3.261 1.00 22.21 C ATOM 433 CG LYS A 27 7.125 -11.737 4.016 1.00 12.34 C ATOM 434 CD LYS A 27 6.477 -13.059 3.510 1.00 64.41 C ATOM 435 CE LYS A 27 6.135 -13.068 2.011 1.00 32.23 C ATOM 436 NZ LYS A 27 5.352 -14.273 1.617 1.00 4.43 N ATOM 0 H LYS A 27 10.350 -10.259 1.940 1.00 54.23 H new ATOM 0 HA LYS A 27 7.530 -10.750 1.400 1.00 43.13 H new ATOM 0 HB2 LYS A 27 8.910 -12.216 2.873 1.00 22.21 H new ATOM 0 HB3 LYS A 27 9.121 -10.879 3.985 1.00 22.21 H new ATOM 0 HG2 LYS A 27 7.352 -11.843 5.077 1.00 12.34 H new ATOM 0 HG3 LYS A 27 6.395 -10.933 3.925 1.00 12.34 H new ATOM 0 HD2 LYS A 27 7.156 -13.885 3.720 1.00 64.41 H new ATOM 0 HD3 LYS A 27 5.566 -13.243 4.079 1.00 64.41 H new ATOM 0 HE2 LYS A 27 5.566 -12.171 1.765 1.00 32.23 H new ATOM 0 HE3 LYS A 27 7.057 -13.030 1.430 1.00 32.23 H new ATOM 0 HZ1 LYS A 27 5.145 -14.235 0.598 1.00 4.43 H new ATOM 0 HZ2 LYS A 27 5.904 -15.129 1.826 1.00 4.43 H new ATOM 0 HZ3 LYS A 27 4.460 -14.297 2.151 1.00 4.43 H new ATOM 450 N VAL A 28 6.613 -8.496 1.993 1.00 2.21 N ATOM 451 CA VAL A 28 6.040 -7.162 2.229 1.00 52.22 C ATOM 452 C VAL A 28 4.917 -7.263 3.275 1.00 61.43 C ATOM 453 O VAL A 28 3.943 -8.004 3.081 1.00 44.10 O ATOM 454 CB VAL A 28 5.469 -6.542 0.892 1.00 71.24 C ATOM 455 CG1 VAL A 28 4.967 -5.090 1.104 1.00 41.34 C ATOM 456 CG2 VAL A 28 6.519 -6.611 -0.243 1.00 62.40 C ATOM 0 H VAL A 28 6.074 -9.054 1.331 1.00 2.21 H new ATOM 0 HA VAL A 28 6.831 -6.508 2.597 1.00 52.22 H new ATOM 0 HB VAL A 28 4.609 -7.142 0.593 1.00 71.24 H new ATOM 0 HG11 VAL A 28 4.582 -4.697 0.163 1.00 41.34 H new ATOM 0 HG12 VAL A 28 4.174 -5.085 1.851 1.00 41.34 H new ATOM 0 HG13 VAL A 28 5.792 -4.466 1.447 1.00 41.34 H new ATOM 0 HG21 VAL A 28 6.101 -6.178 -1.152 1.00 62.40 H new ATOM 0 HG22 VAL A 28 7.408 -6.053 0.049 1.00 62.40 H new ATOM 0 HG23 VAL A 28 6.788 -7.651 -0.427 1.00 62.40 H new ATOM 466 N GLN A 29 5.088 -6.545 4.391 1.00 4.35 N ATOM 467 CA GLN A 29 4.076 -6.410 5.454 1.00 32.24 C ATOM 468 C GLN A 29 3.481 -5.008 5.405 1.00 3.45 C ATOM 469 O GLN A 29 3.961 -4.165 4.663 1.00 41.24 O ATOM 470 CB GLN A 29 4.713 -6.677 6.847 1.00 22.34 C ATOM 471 CG GLN A 29 5.295 -8.092 7.006 1.00 54.33 C ATOM 472 CD GLN A 29 4.272 -9.214 6.759 1.00 11.42 C ATOM 473 OE1 GLN A 29 3.076 -9.071 7.039 1.00 13.45 O ATOM 474 NE2 GLN A 29 4.730 -10.333 6.213 1.00 12.41 N ATOM 0 H GLN A 29 5.947 -6.031 4.587 1.00 4.35 H new ATOM 0 HA GLN A 29 3.287 -7.145 5.295 1.00 32.24 H new ATOM 0 HB2 GLN A 29 5.505 -5.948 7.019 1.00 22.34 H new ATOM 0 HB3 GLN A 29 3.959 -6.516 7.617 1.00 22.34 H new ATOM 0 HG2 GLN A 29 6.127 -8.213 6.313 1.00 54.33 H new ATOM 0 HG3 GLN A 29 5.700 -8.197 8.012 1.00 54.33 H new ATOM 0 HE21 GLN A 29 5.722 -10.424 5.992 1.00 12.41 H new ATOM 0 HE22 GLN A 29 4.090 -11.102 6.014 1.00 12.41 H new ATOM 483 N VAL A 30 2.434 -4.773 6.199 1.00 43.01 N ATOM 484 CA VAL A 30 1.794 -3.460 6.338 1.00 73.34 C ATOM 485 C VAL A 30 2.255 -2.827 7.659 1.00 42.44 C ATOM 486 O VAL A 30 2.101 -3.431 8.721 1.00 5.31 O ATOM 487 CB VAL A 30 0.230 -3.594 6.311 1.00 22.13 C ATOM 488 CG1 VAL A 30 -0.458 -2.216 6.442 1.00 3.05 C ATOM 489 CG2 VAL A 30 -0.228 -4.343 5.035 1.00 72.32 C ATOM 0 H VAL A 30 2.000 -5.497 6.771 1.00 43.01 H new ATOM 0 HA VAL A 30 2.085 -2.825 5.501 1.00 73.34 H new ATOM 0 HB VAL A 30 -0.076 -4.184 7.175 1.00 22.13 H new ATOM 0 HG11 VAL A 30 -1.540 -2.346 6.420 1.00 3.05 H new ATOM 0 HG12 VAL A 30 -0.168 -1.753 7.385 1.00 3.05 H new ATOM 0 HG13 VAL A 30 -0.152 -1.576 5.614 1.00 3.05 H new ATOM 0 HG21 VAL A 30 -1.315 -4.427 5.033 1.00 72.32 H new ATOM 0 HG22 VAL A 30 0.095 -3.790 4.153 1.00 72.32 H new ATOM 0 HG23 VAL A 30 0.213 -5.340 5.020 1.00 72.32 H new ATOM 499 N ARG A 31 2.843 -1.626 7.581 1.00 53.22 N ATOM 500 CA ARG A 31 3.438 -0.941 8.746 1.00 55.24 C ATOM 501 C ARG A 31 2.402 -0.006 9.419 1.00 52.44 C ATOM 502 O ARG A 31 2.212 -0.041 10.639 1.00 3.04 O ATOM 503 CB ARG A 31 4.695 -0.140 8.292 1.00 12.34 C ATOM 504 CG ARG A 31 5.522 0.483 9.442 1.00 65.04 C ATOM 505 CD ARG A 31 6.195 -0.581 10.335 1.00 12.11 C ATOM 506 NE ARG A 31 6.897 0.015 11.486 1.00 22.42 N ATOM 507 CZ ARG A 31 7.802 -0.616 12.250 1.00 33.11 C ATOM 508 NH1 ARG A 31 8.177 -1.875 12.008 1.00 42.30 N ATOM 509 NH2 ARG A 31 8.350 0.032 13.269 1.00 60.30 N ATOM 0 H ARG A 31 2.922 -1.099 6.711 1.00 53.22 H new ATOM 0 HA ARG A 31 3.740 -1.686 9.482 1.00 55.24 H new ATOM 0 HB2 ARG A 31 5.342 -0.803 7.717 1.00 12.34 H new ATOM 0 HB3 ARG A 31 4.377 0.657 7.620 1.00 12.34 H new ATOM 0 HG2 ARG A 31 6.287 1.136 9.022 1.00 65.04 H new ATOM 0 HG3 ARG A 31 4.872 1.107 10.055 1.00 65.04 H new ATOM 0 HD2 ARG A 31 5.440 -1.280 10.695 1.00 12.11 H new ATOM 0 HD3 ARG A 31 6.903 -1.157 9.739 1.00 12.11 H new ATOM 0 HE ARG A 31 6.678 0.983 11.720 1.00 22.42 H new ATOM 0 HH11 ARG A 31 7.773 -2.386 11.223 1.00 42.30 H new ATOM 0 HH12 ARG A 31 8.868 -2.326 12.608 1.00 42.30 H new ATOM 0 HH21 ARG A 31 8.082 0.997 13.463 1.00 60.30 H new ATOM 0 HH22 ARG A 31 9.039 -0.434 13.859 1.00 60.30 H new ATOM 523 N ARG A 32 1.729 0.802 8.590 1.00 31.53 N ATOM 524 CA ARG A 32 0.800 1.857 9.024 1.00 40.13 C ATOM 525 C ARG A 32 -0.292 2.008 7.936 1.00 53.13 C ATOM 526 O ARG A 32 -0.011 1.810 6.754 1.00 72.23 O ATOM 527 CB ARG A 32 1.600 3.200 9.239 1.00 3.11 C ATOM 528 CG ARG A 32 1.239 4.021 10.504 1.00 61.31 C ATOM 529 CD ARG A 32 -0.197 4.579 10.504 1.00 21.44 C ATOM 530 NE ARG A 32 -0.468 5.356 11.728 1.00 60.14 N ATOM 531 CZ ARG A 32 -1.636 5.400 12.390 1.00 20.45 C ATOM 532 NH1 ARG A 32 -2.701 4.705 11.968 1.00 2.43 N ATOM 533 NH2 ARG A 32 -1.742 6.159 13.472 1.00 73.13 N ATOM 0 H ARG A 32 1.816 0.740 7.576 1.00 31.53 H new ATOM 0 HA ARG A 32 0.324 1.603 9.971 1.00 40.13 H new ATOM 0 HB2 ARG A 32 2.663 2.962 9.278 1.00 3.11 H new ATOM 0 HB3 ARG A 32 1.446 3.833 8.365 1.00 3.11 H new ATOM 0 HG2 ARG A 32 1.372 3.391 11.383 1.00 61.31 H new ATOM 0 HG3 ARG A 32 1.940 4.851 10.598 1.00 61.31 H new ATOM 0 HD2 ARG A 32 -0.344 5.212 9.629 1.00 21.44 H new ATOM 0 HD3 ARG A 32 -0.909 3.757 10.427 1.00 21.44 H new ATOM 0 HE ARG A 32 0.301 5.910 12.106 1.00 60.14 H new ATOM 0 HH11 ARG A 32 -2.634 4.128 11.129 1.00 2.43 H new ATOM 0 HH12 ARG A 32 -3.579 4.752 12.486 1.00 2.43 H new ATOM 0 HH21 ARG A 32 -0.941 6.702 13.794 1.00 73.13 H new ATOM 0 HH22 ARG A 32 -2.624 6.200 13.982 1.00 73.13 H new ATOM 547 N VAL A 33 -1.536 2.306 8.345 1.00 72.43 N ATOM 548 CA VAL A 33 -2.654 2.626 7.419 1.00 24.31 C ATOM 549 C VAL A 33 -3.244 3.991 7.818 1.00 4.24 C ATOM 550 O VAL A 33 -3.513 4.228 9.003 1.00 13.30 O ATOM 551 CB VAL A 33 -3.785 1.514 7.448 1.00 44.41 C ATOM 552 CG1 VAL A 33 -5.010 1.897 6.581 1.00 41.55 C ATOM 553 CG2 VAL A 33 -3.224 0.144 7.008 1.00 1.21 C ATOM 0 H VAL A 33 -1.804 2.334 9.329 1.00 72.43 H new ATOM 0 HA VAL A 33 -2.265 2.660 6.401 1.00 24.31 H new ATOM 0 HB VAL A 33 -4.126 1.441 8.481 1.00 44.41 H new ATOM 0 HG11 VAL A 33 -5.756 1.104 6.634 1.00 41.55 H new ATOM 0 HG12 VAL A 33 -5.442 2.826 6.952 1.00 41.55 H new ATOM 0 HG13 VAL A 33 -4.696 2.031 5.546 1.00 41.55 H new ATOM 0 HG21 VAL A 33 -4.019 -0.601 7.037 1.00 1.21 H new ATOM 0 HG22 VAL A 33 -2.834 0.220 5.993 1.00 1.21 H new ATOM 0 HG23 VAL A 33 -2.422 -0.155 7.683 1.00 1.21 H new ATOM 563 N GLN A 34 -3.411 4.891 6.830 1.00 31.43 N ATOM 564 CA GLN A 34 -3.995 6.235 7.022 1.00 41.41 C ATOM 565 C GLN A 34 -5.245 6.377 6.147 1.00 14.21 C ATOM 566 O GLN A 34 -5.143 6.483 4.929 1.00 34.25 O ATOM 567 CB GLN A 34 -2.937 7.330 6.674 1.00 0.24 C ATOM 568 CG GLN A 34 -1.785 7.444 7.690 1.00 22.02 C ATOM 569 CD GLN A 34 -2.265 7.920 9.067 1.00 54.02 C ATOM 570 OE1 GLN A 34 -2.292 9.115 9.350 1.00 4.41 O ATOM 571 NE2 GLN A 34 -2.682 7.000 9.916 1.00 63.33 N ATOM 0 H GLN A 34 -3.141 4.704 5.864 1.00 31.43 H new ATOM 0 HA GLN A 34 -4.285 6.366 8.065 1.00 41.41 H new ATOM 0 HB2 GLN A 34 -2.519 7.115 5.691 1.00 0.24 H new ATOM 0 HB3 GLN A 34 -3.440 8.295 6.603 1.00 0.24 H new ATOM 0 HG2 GLN A 34 -1.298 6.474 7.793 1.00 22.02 H new ATOM 0 HG3 GLN A 34 -1.036 8.138 7.309 1.00 22.02 H new ATOM 0 HE21 GLN A 34 -2.649 6.014 9.656 1.00 63.33 H new ATOM 0 HE22 GLN A 34 -3.037 7.275 10.832 1.00 63.33 H new ATOM 580 N LYS A 35 -6.423 6.382 6.789 1.00 5.34 N ATOM 581 CA LYS A 35 -7.720 6.461 6.102 1.00 14.30 C ATOM 582 C LYS A 35 -8.185 7.930 6.113 1.00 2.14 C ATOM 583 O LYS A 35 -8.493 8.477 7.176 1.00 74.13 O ATOM 584 CB LYS A 35 -8.752 5.529 6.814 1.00 53.33 C ATOM 585 CG LYS A 35 -9.881 4.966 5.919 1.00 11.51 C ATOM 586 CD LYS A 35 -10.869 5.993 5.302 1.00 60.31 C ATOM 587 CE LYS A 35 -11.934 5.287 4.431 1.00 23.41 C ATOM 588 NZ LYS A 35 -12.933 6.226 3.855 1.00 31.11 N ATOM 0 H LYS A 35 -6.502 6.331 7.805 1.00 5.34 H new ATOM 0 HA LYS A 35 -7.631 6.125 5.069 1.00 14.30 H new ATOM 0 HB2 LYS A 35 -8.212 4.691 7.255 1.00 53.33 H new ATOM 0 HB3 LYS A 35 -9.207 6.083 7.635 1.00 53.33 H new ATOM 0 HG2 LYS A 35 -9.421 4.407 5.104 1.00 11.51 H new ATOM 0 HG3 LYS A 35 -10.457 4.253 6.509 1.00 11.51 H new ATOM 0 HD2 LYS A 35 -11.359 6.554 6.098 1.00 60.31 H new ATOM 0 HD3 LYS A 35 -10.319 6.713 4.697 1.00 60.31 H new ATOM 0 HE2 LYS A 35 -11.437 4.753 3.621 1.00 23.41 H new ATOM 0 HE3 LYS A 35 -12.451 4.541 5.034 1.00 23.41 H new ATOM 0 HZ1 LYS A 35 -13.658 5.688 3.339 1.00 31.11 H new ATOM 0 HZ2 LYS A 35 -13.383 6.767 4.621 1.00 31.11 H new ATOM 0 HZ3 LYS A 35 -12.458 6.881 3.202 1.00 31.11 H new ATOM 602 N GLN A 36 -8.217 8.561 4.932 1.00 42.51 N ATOM 603 CA GLN A 36 -8.572 9.983 4.780 1.00 65.23 C ATOM 604 C GLN A 36 -9.717 10.121 3.753 1.00 72.33 C ATOM 605 O GLN A 36 -9.456 10.265 2.555 1.00 23.00 O ATOM 606 CB GLN A 36 -7.320 10.792 4.322 1.00 31.40 C ATOM 607 CG GLN A 36 -6.095 10.687 5.251 1.00 70.41 C ATOM 608 CD GLN A 36 -4.840 11.299 4.629 1.00 72.04 C ATOM 609 OE1 GLN A 36 -4.078 10.615 3.955 1.00 42.52 O ATOM 610 NE2 GLN A 36 -4.627 12.591 4.824 1.00 55.30 N ATOM 0 H GLN A 36 -7.997 8.100 4.049 1.00 42.51 H new ATOM 0 HA GLN A 36 -8.910 10.382 5.736 1.00 65.23 H new ATOM 0 HB2 GLN A 36 -7.032 10.452 3.327 1.00 31.40 H new ATOM 0 HB3 GLN A 36 -7.599 11.842 4.232 1.00 31.40 H new ATOM 0 HG2 GLN A 36 -6.313 11.190 6.193 1.00 70.41 H new ATOM 0 HG3 GLN A 36 -5.908 9.639 5.484 1.00 70.41 H new ATOM 0 HE21 GLN A 36 -5.278 13.136 5.390 1.00 55.30 H new ATOM 0 HE22 GLN A 36 -3.812 13.042 4.409 1.00 55.30 H new ATOM 619 N GLY A 37 -10.973 9.997 4.240 1.00 22.12 N ATOM 620 CA GLY A 37 -12.190 10.253 3.445 1.00 40.33 C ATOM 621 C GLY A 37 -12.362 9.363 2.209 1.00 21.21 C ATOM 622 O GLY A 37 -13.111 8.387 2.235 1.00 42.20 O ATOM 0 H GLY A 37 -11.169 9.715 5.201 1.00 22.12 H new ATOM 0 HA2 GLY A 37 -13.059 10.124 4.090 1.00 40.33 H new ATOM 0 HA3 GLY A 37 -12.183 11.295 3.125 1.00 40.33 H new ATOM 626 N ASN A 38 -11.665 9.731 1.125 1.00 4.43 N ATOM 627 CA ASN A 38 -11.726 9.036 -0.175 1.00 10.05 C ATOM 628 C ASN A 38 -10.464 8.170 -0.381 1.00 53.34 C ATOM 629 O ASN A 38 -10.558 7.000 -0.764 1.00 25.05 O ATOM 630 CB ASN A 38 -11.889 10.077 -1.327 1.00 41.40 C ATOM 631 CG ASN A 38 -13.204 10.887 -1.254 1.00 21.30 C ATOM 632 OD1 ASN A 38 -13.731 11.173 -0.179 1.00 72.13 O ATOM 633 ND2 ASN A 38 -13.748 11.267 -2.402 1.00 62.42 N ATOM 0 H ASN A 38 -11.033 10.531 1.123 1.00 4.43 H new ATOM 0 HA ASN A 38 -12.592 8.374 -0.186 1.00 10.05 H new ATOM 0 HB2 ASN A 38 -11.046 10.767 -1.302 1.00 41.40 H new ATOM 0 HB3 ASN A 38 -11.847 9.556 -2.284 1.00 41.40 H new ATOM 0 HD21 ASN A 38 -14.615 11.804 -2.402 1.00 62.42 H new ATOM 0 HD22 ASN A 38 -13.299 11.022 -3.285 1.00 62.42 H new ATOM 640 N THR A 39 -9.284 8.750 -0.089 1.00 31.50 N ATOM 641 CA THR A 39 -7.978 8.092 -0.318 1.00 2.44 C ATOM 642 C THR A 39 -7.417 7.500 0.990 1.00 62.20 C ATOM 643 O THR A 39 -7.417 8.166 2.032 1.00 31.00 O ATOM 644 CB THR A 39 -6.937 9.104 -0.906 1.00 12.51 C ATOM 645 OG1 THR A 39 -7.538 9.858 -1.974 1.00 45.24 O ATOM 646 CG2 THR A 39 -5.666 8.395 -1.430 1.00 32.32 C ATOM 0 H THR A 39 -9.206 9.685 0.311 1.00 31.50 H new ATOM 0 HA THR A 39 -8.145 7.287 -1.034 1.00 2.44 H new ATOM 0 HB THR A 39 -6.638 9.770 -0.096 1.00 12.51 H new ATOM 0 HG1 THR A 39 -7.251 9.490 -2.836 1.00 45.24 H new ATOM 0 HG21 THR A 39 -4.974 9.137 -1.828 1.00 32.32 H new ATOM 0 HG22 THR A 39 -5.188 7.854 -0.613 1.00 32.32 H new ATOM 0 HG23 THR A 39 -5.939 7.694 -2.219 1.00 32.32 H new ATOM 654 N ILE A 40 -6.939 6.249 0.919 1.00 22.43 N ATOM 655 CA ILE A 40 -6.270 5.569 2.043 1.00 11.51 C ATOM 656 C ILE A 40 -4.765 5.401 1.720 1.00 31.25 C ATOM 657 O ILE A 40 -4.400 4.602 0.852 1.00 45.34 O ATOM 658 CB ILE A 40 -6.909 4.157 2.337 1.00 45.24 C ATOM 659 CG1 ILE A 40 -8.457 4.268 2.504 1.00 11.43 C ATOM 660 CG2 ILE A 40 -6.260 3.511 3.587 1.00 72.23 C ATOM 661 CD1 ILE A 40 -9.166 2.959 2.831 1.00 50.12 C ATOM 0 H ILE A 40 -7.005 5.676 0.078 1.00 22.43 H new ATOM 0 HA ILE A 40 -6.398 6.184 2.933 1.00 11.51 H new ATOM 0 HB ILE A 40 -6.712 3.511 1.482 1.00 45.24 H new ATOM 0 HG12 ILE A 40 -8.671 4.987 3.295 1.00 11.43 H new ATOM 0 HG13 ILE A 40 -8.878 4.672 1.583 1.00 11.43 H new ATOM 0 HG21 ILE A 40 -6.715 2.538 3.772 1.00 72.23 H new ATOM 0 HG22 ILE A 40 -5.191 3.385 3.418 1.00 72.23 H new ATOM 0 HG23 ILE A 40 -6.417 4.155 4.452 1.00 72.23 H new ATOM 0 HD11 ILE A 40 -10.237 3.139 2.927 1.00 50.12 H new ATOM 0 HD12 ILE A 40 -8.990 2.240 2.031 1.00 50.12 H new ATOM 0 HD13 ILE A 40 -8.779 2.560 3.769 1.00 50.12 H new ATOM 673 N ARG A 41 -3.905 6.166 2.420 1.00 5.35 N ATOM 674 CA ARG A 41 -2.440 6.073 2.278 1.00 30.12 C ATOM 675 C ARG A 41 -1.909 4.970 3.211 1.00 71.14 C ATOM 676 O ARG A 41 -1.735 5.193 4.416 1.00 45.03 O ATOM 677 CB ARG A 41 -1.755 7.430 2.617 1.00 5.23 C ATOM 678 CG ARG A 41 -2.310 8.649 1.851 1.00 64.33 C ATOM 679 CD ARG A 41 -1.427 9.903 2.024 1.00 0.32 C ATOM 680 NE ARG A 41 -1.239 10.269 3.439 1.00 12.23 N ATOM 681 CZ ARG A 41 -0.112 10.776 3.974 1.00 51.43 C ATOM 682 NH1 ARG A 41 0.982 10.994 3.235 1.00 35.40 N ATOM 683 NH2 ARG A 41 -0.090 11.089 5.258 1.00 14.02 N ATOM 0 H ARG A 41 -4.207 6.865 3.099 1.00 5.35 H new ATOM 0 HA ARG A 41 -2.205 5.828 1.242 1.00 30.12 H new ATOM 0 HB2 ARG A 41 -1.857 7.614 3.686 1.00 5.23 H new ATOM 0 HB3 ARG A 41 -0.689 7.344 2.409 1.00 5.23 H new ATOM 0 HG2 ARG A 41 -2.387 8.405 0.791 1.00 64.33 H new ATOM 0 HG3 ARG A 41 -3.319 8.867 2.202 1.00 64.33 H new ATOM 0 HD2 ARG A 41 -0.454 9.725 1.566 1.00 0.32 H new ATOM 0 HD3 ARG A 41 -1.881 10.739 1.493 1.00 0.32 H new ATOM 0 HE ARG A 41 -2.030 10.126 4.067 1.00 12.23 H new ATOM 0 HH11 ARG A 41 0.976 10.775 2.239 1.00 35.40 H new ATOM 0 HH12 ARG A 41 1.821 11.379 3.668 1.00 35.40 H new ATOM 0 HH21 ARG A 41 -0.921 10.946 5.832 1.00 14.02 H new ATOM 0 HH22 ARG A 41 0.758 11.474 5.675 1.00 14.02 H new ATOM 697 N VAL A 42 -1.708 3.770 2.656 1.00 21.21 N ATOM 698 CA VAL A 42 -1.143 2.626 3.393 1.00 2.25 C ATOM 699 C VAL A 42 0.383 2.622 3.239 1.00 25.43 C ATOM 700 O VAL A 42 0.901 2.520 2.129 1.00 42.13 O ATOM 701 CB VAL A 42 -1.741 1.254 2.900 1.00 21.34 C ATOM 702 CG1 VAL A 42 -1.169 0.056 3.695 1.00 73.24 C ATOM 703 CG2 VAL A 42 -3.273 1.276 2.994 1.00 13.32 C ATOM 0 H VAL A 42 -1.931 3.561 1.683 1.00 21.21 H new ATOM 0 HA VAL A 42 -1.410 2.737 4.444 1.00 2.25 H new ATOM 0 HB VAL A 42 -1.449 1.124 1.858 1.00 21.34 H new ATOM 0 HG11 VAL A 42 -1.608 -0.870 3.323 1.00 73.24 H new ATOM 0 HG12 VAL A 42 -0.087 0.020 3.571 1.00 73.24 H new ATOM 0 HG13 VAL A 42 -1.409 0.173 4.752 1.00 73.24 H new ATOM 0 HG21 VAL A 42 -3.672 0.322 2.650 1.00 13.32 H new ATOM 0 HG22 VAL A 42 -3.572 1.443 4.029 1.00 13.32 H new ATOM 0 HG23 VAL A 42 -3.664 2.079 2.370 1.00 13.32 H new ATOM 713 N GLU A 43 1.079 2.780 4.362 1.00 31.41 N ATOM 714 CA GLU A 43 2.542 2.693 4.452 1.00 1.33 C ATOM 715 C GLU A 43 2.931 1.253 4.787 1.00 35.41 C ATOM 716 O GLU A 43 2.565 0.748 5.841 1.00 31.52 O ATOM 717 CB GLU A 43 3.026 3.676 5.542 1.00 43.13 C ATOM 718 CG GLU A 43 2.675 5.142 5.220 1.00 31.44 C ATOM 719 CD GLU A 43 3.146 6.133 6.281 1.00 33.33 C ATOM 720 OE1 GLU A 43 2.397 6.384 7.250 1.00 25.14 O ATOM 721 OE2 GLU A 43 4.281 6.650 6.166 1.00 31.43 O ATOM 0 H GLU A 43 0.635 2.977 5.259 1.00 31.41 H new ATOM 0 HA GLU A 43 3.012 2.963 3.506 1.00 1.33 H new ATOM 0 HB2 GLU A 43 2.579 3.401 6.497 1.00 43.13 H new ATOM 0 HB3 GLU A 43 4.106 3.582 5.656 1.00 43.13 H new ATOM 0 HG2 GLU A 43 3.120 5.411 4.262 1.00 31.44 H new ATOM 0 HG3 GLU A 43 1.595 5.231 5.106 1.00 31.44 H new ATOM 728 N LEU A 44 3.625 0.569 3.880 1.00 30.23 N ATOM 729 CA LEU A 44 4.001 -0.848 4.064 1.00 55.33 C ATOM 730 C LEU A 44 5.513 -0.977 4.258 1.00 13.41 C ATOM 731 O LEU A 44 6.261 -0.090 3.871 1.00 42.34 O ATOM 732 CB LEU A 44 3.536 -1.705 2.859 1.00 24.11 C ATOM 733 CG LEU A 44 2.015 -1.600 2.477 1.00 54.24 C ATOM 734 CD1 LEU A 44 1.756 -0.446 1.493 1.00 32.44 C ATOM 735 CD2 LEU A 44 1.462 -2.927 1.933 1.00 52.43 C ATOM 0 H LEU A 44 3.945 0.970 2.999 1.00 30.23 H new ATOM 0 HA LEU A 44 3.500 -1.219 4.958 1.00 55.33 H new ATOM 0 HB2 LEU A 44 4.128 -1.422 1.989 1.00 24.11 H new ATOM 0 HB3 LEU A 44 3.764 -2.749 3.073 1.00 24.11 H new ATOM 0 HG LEU A 44 1.475 -1.379 3.398 1.00 54.24 H new ATOM 0 HD11 LEU A 44 0.694 -0.405 1.252 1.00 32.44 H new ATOM 0 HD12 LEU A 44 2.062 0.496 1.948 1.00 32.44 H new ATOM 0 HD13 LEU A 44 2.329 -0.611 0.580 1.00 32.44 H new ATOM 0 HD21 LEU A 44 0.408 -2.807 1.682 1.00 52.43 H new ATOM 0 HD22 LEU A 44 2.017 -3.213 1.040 1.00 52.43 H new ATOM 0 HD23 LEU A 44 1.568 -3.703 2.691 1.00 52.43 H new ATOM 747 N GLU A 45 5.954 -2.100 4.846 1.00 5.15 N ATOM 748 CA GLU A 45 7.374 -2.381 5.064 1.00 31.24 C ATOM 749 C GLU A 45 7.835 -3.466 4.068 1.00 72.32 C ATOM 750 O GLU A 45 7.466 -4.641 4.183 1.00 21.14 O ATOM 751 CB GLU A 45 7.604 -2.840 6.526 1.00 21.51 C ATOM 752 CG GLU A 45 9.092 -3.031 6.899 1.00 1.53 C ATOM 753 CD GLU A 45 9.318 -3.514 8.347 1.00 14.22 C ATOM 754 OE1 GLU A 45 8.745 -2.904 9.286 1.00 2.41 O ATOM 755 OE2 GLU A 45 10.106 -4.468 8.556 1.00 34.21 O ATOM 0 H GLU A 45 5.333 -2.836 5.182 1.00 5.15 H new ATOM 0 HA GLU A 45 7.960 -1.477 4.897 1.00 31.24 H new ATOM 0 HB2 GLU A 45 7.163 -2.106 7.200 1.00 21.51 H new ATOM 0 HB3 GLU A 45 7.076 -3.780 6.688 1.00 21.51 H new ATOM 0 HG2 GLU A 45 9.539 -3.751 6.213 1.00 1.53 H new ATOM 0 HG3 GLU A 45 9.616 -2.086 6.756 1.00 1.53 H new ATOM 762 N LEU A 46 8.615 -3.033 3.072 1.00 23.04 N ATOM 763 CA LEU A 46 9.246 -3.900 2.064 1.00 73.01 C ATOM 764 C LEU A 46 10.753 -3.871 2.332 1.00 10.51 C ATOM 765 O LEU A 46 11.360 -2.798 2.390 1.00 43.53 O ATOM 766 CB LEU A 46 8.887 -3.372 0.633 1.00 22.53 C ATOM 767 CG LEU A 46 9.386 -4.187 -0.628 1.00 42.40 C ATOM 768 CD1 LEU A 46 8.605 -3.788 -1.893 1.00 1.22 C ATOM 769 CD2 LEU A 46 10.892 -4.019 -0.909 1.00 33.24 C ATOM 0 H LEU A 46 8.832 -2.045 2.939 1.00 23.04 H new ATOM 0 HA LEU A 46 8.891 -4.929 2.122 1.00 73.01 H new ATOM 0 HB2 LEU A 46 7.801 -3.300 0.571 1.00 22.53 H new ATOM 0 HB3 LEU A 46 9.279 -2.359 0.547 1.00 22.53 H new ATOM 0 HG LEU A 46 9.203 -5.233 -0.383 1.00 42.40 H new ATOM 0 HD11 LEU A 46 8.970 -4.365 -2.743 1.00 1.22 H new ATOM 0 HD12 LEU A 46 7.544 -3.991 -1.745 1.00 1.22 H new ATOM 0 HD13 LEU A 46 8.747 -2.725 -2.088 1.00 1.22 H new ATOM 0 HD21 LEU A 46 11.166 -4.605 -1.787 1.00 33.24 H new ATOM 0 HD22 LEU A 46 11.113 -2.967 -1.091 1.00 33.24 H new ATOM 0 HD23 LEU A 46 11.464 -4.366 -0.048 1.00 33.24 H new ATOM 781 N ARG A 47 11.364 -5.044 2.503 1.00 24.05 N ATOM 782 CA ARG A 47 12.809 -5.139 2.771 1.00 51.52 C ATOM 783 C ARG A 47 13.538 -5.575 1.484 1.00 33.21 C ATOM 784 O ARG A 47 13.652 -6.771 1.193 1.00 61.41 O ATOM 785 CB ARG A 47 13.033 -6.123 3.955 1.00 30.04 C ATOM 786 CG ARG A 47 12.446 -5.619 5.307 1.00 0.41 C ATOM 787 CD ARG A 47 12.220 -6.745 6.332 1.00 34.50 C ATOM 788 NE ARG A 47 11.158 -7.663 5.881 1.00 53.32 N ATOM 789 CZ ARG A 47 11.173 -9.003 5.984 1.00 23.14 C ATOM 790 NH1 ARG A 47 12.200 -9.655 6.529 1.00 40.31 N ATOM 791 NH2 ARG A 47 10.139 -9.688 5.538 1.00 32.30 N ATOM 0 H ARG A 47 10.886 -5.944 2.462 1.00 24.05 H new ATOM 0 HA ARG A 47 13.223 -4.173 3.061 1.00 51.52 H new ATOM 0 HB2 ARG A 47 12.581 -7.084 3.708 1.00 30.04 H new ATOM 0 HB3 ARG A 47 14.103 -6.296 4.075 1.00 30.04 H new ATOM 0 HG2 ARG A 47 13.122 -4.879 5.735 1.00 0.41 H new ATOM 0 HG3 ARG A 47 11.499 -5.114 5.118 1.00 0.41 H new ATOM 0 HD2 ARG A 47 13.147 -7.299 6.479 1.00 34.50 H new ATOM 0 HD3 ARG A 47 11.949 -6.315 7.296 1.00 34.50 H new ATOM 0 HE ARG A 47 10.335 -7.242 5.451 1.00 53.32 H new ATOM 0 HH11 ARG A 47 13.004 -9.136 6.882 1.00 40.31 H new ATOM 0 HH12 ARG A 47 12.182 -10.673 6.593 1.00 40.31 H new ATOM 0 HH21 ARG A 47 9.345 -9.201 5.123 1.00 32.30 H new ATOM 0 HH22 ARG A 47 10.133 -10.706 5.608 1.00 32.30 H new ATOM 805 N THR A 48 14.053 -4.570 0.738 1.00 54.12 N ATOM 806 CA THR A 48 14.723 -4.754 -0.564 1.00 44.44 C ATOM 807 C THR A 48 16.093 -5.426 -0.367 1.00 40.34 C ATOM 808 O THR A 48 17.053 -4.775 0.071 1.00 53.04 O ATOM 809 CB THR A 48 14.895 -3.381 -1.307 1.00 63.10 C ATOM 810 OG1 THR A 48 13.620 -2.743 -1.444 1.00 22.23 O ATOM 811 CG2 THR A 48 15.529 -3.537 -2.706 1.00 1.43 C ATOM 0 H THR A 48 14.012 -3.594 1.032 1.00 54.12 H new ATOM 0 HA THR A 48 14.097 -5.399 -1.180 1.00 44.44 H new ATOM 0 HB THR A 48 15.569 -2.775 -0.702 1.00 63.10 H new ATOM 0 HG1 THR A 48 13.709 -1.788 -1.242 1.00 22.23 H new ATOM 0 HG21 THR A 48 15.624 -2.557 -3.174 1.00 1.43 H new ATOM 0 HG22 THR A 48 16.515 -3.991 -2.610 1.00 1.43 H new ATOM 0 HG23 THR A 48 14.896 -4.174 -3.324 1.00 1.43 H new ATOM 819 N ASN A 49 16.141 -6.751 -0.640 1.00 53.45 N ATOM 820 CA ASN A 49 17.361 -7.582 -0.519 1.00 22.45 C ATOM 821 C ASN A 49 17.906 -7.602 0.930 1.00 22.12 C ATOM 822 O ASN A 49 19.097 -7.859 1.153 1.00 1.14 O ATOM 823 CB ASN A 49 18.444 -7.119 -1.542 1.00 55.12 C ATOM 824 CG ASN A 49 17.997 -7.295 -2.996 1.00 11.12 C ATOM 825 OD1 ASN A 49 17.409 -6.391 -3.601 1.00 12.42 O ATOM 826 ND2 ASN A 49 18.256 -8.468 -3.566 1.00 23.34 N ATOM 0 H ASN A 49 15.326 -7.278 -0.953 1.00 53.45 H new ATOM 0 HA ASN A 49 17.090 -8.610 -0.760 1.00 22.45 H new ATOM 0 HB2 ASN A 49 18.682 -6.070 -1.364 1.00 55.12 H new ATOM 0 HB3 ASN A 49 19.360 -7.686 -1.377 1.00 55.12 H new ATOM 0 HD21 ASN A 49 17.968 -8.642 -4.529 1.00 23.34 H new ATOM 0 HD22 ASN A 49 18.743 -9.194 -3.040 1.00 23.34 H new ATOM 833 N GLY A 50 16.999 -7.385 1.909 1.00 4.30 N ATOM 834 CA GLY A 50 17.351 -7.363 3.334 1.00 30.42 C ATOM 835 C GLY A 50 17.523 -5.954 3.903 1.00 33.44 C ATOM 836 O GLY A 50 17.867 -5.811 5.076 1.00 53.51 O ATOM 0 H GLY A 50 16.009 -7.222 1.728 1.00 4.30 H new ATOM 0 HA2 GLY A 50 16.576 -7.881 3.899 1.00 30.42 H new ATOM 0 HA3 GLY A 50 18.277 -7.919 3.479 1.00 30.42 H new ATOM 840 N LYS A 51 17.282 -4.908 3.077 1.00 41.12 N ATOM 841 CA LYS A 51 17.306 -3.496 3.531 1.00 32.25 C ATOM 842 C LYS A 51 15.864 -2.973 3.690 1.00 53.41 C ATOM 843 O LYS A 51 15.109 -2.970 2.720 1.00 54.35 O ATOM 844 CB LYS A 51 18.080 -2.606 2.505 1.00 50.23 C ATOM 845 CG LYS A 51 19.553 -3.011 2.260 1.00 14.13 C ATOM 846 CD LYS A 51 20.421 -2.991 3.543 1.00 41.41 C ATOM 847 CE LYS A 51 20.496 -1.603 4.209 1.00 24.43 C ATOM 848 NZ LYS A 51 21.196 -1.649 5.524 1.00 51.11 N ATOM 0 H LYS A 51 17.067 -5.017 2.086 1.00 41.12 H new ATOM 0 HA LYS A 51 17.817 -3.447 4.493 1.00 32.25 H new ATOM 0 HB2 LYS A 51 17.550 -2.632 1.553 1.00 50.23 H new ATOM 0 HB3 LYS A 51 18.057 -1.574 2.854 1.00 50.23 H new ATOM 0 HG2 LYS A 51 19.579 -4.012 1.829 1.00 14.13 H new ATOM 0 HG3 LYS A 51 19.990 -2.335 1.525 1.00 14.13 H new ATOM 0 HD2 LYS A 51 20.016 -3.708 4.258 1.00 41.41 H new ATOM 0 HD3 LYS A 51 21.430 -3.322 3.296 1.00 41.41 H new ATOM 0 HE2 LYS A 51 21.016 -0.911 3.546 1.00 24.43 H new ATOM 0 HE3 LYS A 51 19.488 -1.214 4.349 1.00 24.43 H new ATOM 0 HZ1 LYS A 51 21.224 -0.695 5.936 1.00 51.11 H new ATOM 0 HZ2 LYS A 51 20.687 -2.289 6.166 1.00 51.11 H new ATOM 0 HZ3 LYS A 51 22.167 -1.996 5.388 1.00 51.11 H new ATOM 862 N LYS A 52 15.512 -2.467 4.890 1.00 10.21 N ATOM 863 CA LYS A 52 14.134 -2.028 5.204 1.00 22.14 C ATOM 864 C LYS A 52 13.863 -0.636 4.604 1.00 71.20 C ATOM 865 O LYS A 52 14.552 0.342 4.931 1.00 11.14 O ATOM 866 CB LYS A 52 13.889 -2.005 6.747 1.00 62.51 C ATOM 867 CG LYS A 52 12.565 -1.316 7.171 1.00 73.14 C ATOM 868 CD LYS A 52 12.290 -1.351 8.696 1.00 34.54 C ATOM 869 CE LYS A 52 11.125 -0.417 9.090 1.00 41.41 C ATOM 870 NZ LYS A 52 10.704 -0.600 10.505 1.00 42.42 N ATOM 0 H LYS A 52 16.167 -2.351 5.663 1.00 10.21 H new ATOM 0 HA LYS A 52 13.444 -2.745 4.759 1.00 22.14 H new ATOM 0 HB2 LYS A 52 13.887 -3.030 7.119 1.00 62.51 H new ATOM 0 HB3 LYS A 52 14.722 -1.493 7.228 1.00 62.51 H new ATOM 0 HG2 LYS A 52 12.587 -0.277 6.841 1.00 73.14 H new ATOM 0 HG3 LYS A 52 11.736 -1.797 6.653 1.00 73.14 H new ATOM 0 HD2 LYS A 52 12.057 -2.371 9.000 1.00 34.54 H new ATOM 0 HD3 LYS A 52 13.191 -1.056 9.235 1.00 34.54 H new ATOM 0 HE2 LYS A 52 11.425 0.619 8.934 1.00 41.41 H new ATOM 0 HE3 LYS A 52 10.275 -0.604 8.434 1.00 41.41 H new ATOM 0 HZ1 LYS A 52 9.920 0.049 10.721 1.00 42.42 H new ATOM 0 HZ2 LYS A 52 10.391 -1.581 10.650 1.00 42.42 H new ATOM 0 HZ3 LYS A 52 11.506 -0.396 11.135 1.00 42.42 H new ATOM 884 N GLU A 53 12.861 -0.584 3.709 1.00 61.23 N ATOM 885 CA GLU A 53 12.359 0.647 3.077 1.00 41.14 C ATOM 886 C GLU A 53 10.823 0.619 3.120 1.00 42.33 C ATOM 887 O GLU A 53 10.197 -0.332 2.635 1.00 12.42 O ATOM 888 CB GLU A 53 12.861 0.753 1.610 1.00 62.43 C ATOM 889 CG GLU A 53 14.395 0.770 1.476 1.00 43.45 C ATOM 890 CD GLU A 53 14.895 0.891 0.032 1.00 64.35 C ATOM 891 OE1 GLU A 53 15.592 1.879 -0.300 1.00 12.54 O ATOM 892 OE2 GLU A 53 14.602 -0.003 -0.776 1.00 61.35 O ATOM 0 H GLU A 53 12.365 -1.419 3.398 1.00 61.23 H new ATOM 0 HA GLU A 53 12.731 1.518 3.616 1.00 41.14 H new ATOM 0 HB2 GLU A 53 12.465 -0.087 1.039 1.00 62.43 H new ATOM 0 HB3 GLU A 53 12.457 1.661 1.163 1.00 62.43 H new ATOM 0 HG2 GLU A 53 14.791 1.603 2.057 1.00 43.45 H new ATOM 0 HG3 GLU A 53 14.798 -0.144 1.913 1.00 43.45 H new ATOM 899 N ASN A 54 10.211 1.641 3.738 1.00 70.44 N ATOM 900 CA ASN A 54 8.744 1.778 3.793 1.00 13.14 C ATOM 901 C ASN A 54 8.246 2.543 2.556 1.00 11.44 C ATOM 902 O ASN A 54 8.905 3.466 2.083 1.00 54.33 O ATOM 903 CB ASN A 54 8.302 2.479 5.109 1.00 52.44 C ATOM 904 CG ASN A 54 8.618 1.633 6.347 1.00 61.44 C ATOM 905 OD1 ASN A 54 9.681 1.760 6.954 1.00 10.33 O ATOM 906 ND2 ASN A 54 7.710 0.740 6.711 1.00 21.52 N ATOM 0 H ASN A 54 10.713 2.392 4.211 1.00 70.44 H new ATOM 0 HA ASN A 54 8.295 0.785 3.788 1.00 13.14 H new ATOM 0 HB2 ASN A 54 8.804 3.443 5.192 1.00 52.44 H new ATOM 0 HB3 ASN A 54 7.231 2.679 5.071 1.00 52.44 H new ATOM 0 HD21 ASN A 54 7.883 0.135 7.514 1.00 21.52 H new ATOM 0 HD22 ASN A 54 6.838 0.657 6.189 1.00 21.52 H new ATOM 913 N TYR A 55 7.108 2.104 1.997 1.00 35.12 N ATOM 914 CA TYR A 55 6.496 2.727 0.810 1.00 51.05 C ATOM 915 C TYR A 55 5.081 3.215 1.157 1.00 73.32 C ATOM 916 O TYR A 55 4.230 2.415 1.567 1.00 34.00 O ATOM 917 CB TYR A 55 6.410 1.723 -0.368 1.00 14.52 C ATOM 918 CG TYR A 55 7.748 1.189 -0.926 1.00 11.23 C ATOM 919 CD1 TYR A 55 8.179 1.520 -2.214 1.00 14.52 C ATOM 920 CD2 TYR A 55 8.560 0.326 -0.180 1.00 51.11 C ATOM 921 CE1 TYR A 55 9.353 0.999 -2.737 1.00 63.14 C ATOM 922 CE2 TYR A 55 9.736 -0.182 -0.695 1.00 53.14 C ATOM 923 CZ TYR A 55 10.130 0.152 -1.966 1.00 31.20 C ATOM 924 OH TYR A 55 11.297 -0.376 -2.477 1.00 63.23 O ATOM 0 H TYR A 55 6.584 1.305 2.355 1.00 35.12 H new ATOM 0 HA TYR A 55 7.122 3.567 0.507 1.00 51.05 H new ATOM 0 HB2 TYR A 55 5.812 0.871 -0.045 1.00 14.52 H new ATOM 0 HB3 TYR A 55 5.868 2.202 -1.184 1.00 14.52 H new ATOM 0 HD1 TYR A 55 7.586 2.195 -2.814 1.00 14.52 H new ATOM 0 HD2 TYR A 55 8.260 0.052 0.820 1.00 51.11 H new ATOM 0 HE1 TYR A 55 9.659 1.253 -3.741 1.00 63.14 H new ATOM 0 HE2 TYR A 55 10.346 -0.843 -0.097 1.00 53.14 H new ATOM 0 HH TYR A 55 11.719 -0.949 -1.803 1.00 63.23 H new ATOM 934 N THR A 56 4.841 4.525 0.983 1.00 73.10 N ATOM 935 CA THR A 56 3.524 5.139 1.180 1.00 40.04 C ATOM 936 C THR A 56 2.737 5.025 -0.143 1.00 15.01 C ATOM 937 O THR A 56 3.030 5.723 -1.125 1.00 24.15 O ATOM 938 CB THR A 56 3.647 6.640 1.631 1.00 54.43 C ATOM 939 OG1 THR A 56 4.545 6.739 2.753 1.00 54.15 O ATOM 940 CG2 THR A 56 2.278 7.255 2.009 1.00 72.52 C ATOM 0 H THR A 56 5.562 5.189 0.700 1.00 73.10 H new ATOM 0 HA THR A 56 2.996 4.616 1.977 1.00 40.04 H new ATOM 0 HB THR A 56 4.038 7.203 0.783 1.00 54.43 H new ATOM 0 HG1 THR A 56 4.620 7.676 3.030 1.00 54.15 H new ATOM 0 HG21 THR A 56 2.417 8.292 2.313 1.00 72.52 H new ATOM 0 HG22 THR A 56 1.611 7.216 1.148 1.00 72.52 H new ATOM 0 HG23 THR A 56 1.841 6.691 2.833 1.00 72.52 H new ATOM 948 N VAL A 57 1.792 4.082 -0.168 1.00 11.20 N ATOM 949 CA VAL A 57 0.941 3.795 -1.332 1.00 63.32 C ATOM 950 C VAL A 57 -0.447 4.417 -1.106 1.00 12.13 C ATOM 951 O VAL A 57 -1.168 4.009 -0.187 1.00 51.44 O ATOM 952 CB VAL A 57 0.784 2.246 -1.565 1.00 33.14 C ATOM 953 CG1 VAL A 57 -0.098 1.951 -2.805 1.00 51.24 C ATOM 954 CG2 VAL A 57 2.163 1.552 -1.669 1.00 3.15 C ATOM 0 H VAL A 57 1.591 3.484 0.633 1.00 11.20 H new ATOM 0 HA VAL A 57 1.414 4.224 -2.215 1.00 63.32 H new ATOM 0 HB VAL A 57 0.274 1.829 -0.696 1.00 33.14 H new ATOM 0 HG11 VAL A 57 -0.188 0.873 -2.940 1.00 51.24 H new ATOM 0 HG12 VAL A 57 -1.088 2.382 -2.658 1.00 51.24 H new ATOM 0 HG13 VAL A 57 0.361 2.390 -3.691 1.00 51.24 H new ATOM 0 HG21 VAL A 57 2.021 0.483 -1.830 1.00 3.15 H new ATOM 0 HG22 VAL A 57 2.721 1.974 -2.505 1.00 3.15 H new ATOM 0 HG23 VAL A 57 2.720 1.709 -0.745 1.00 3.15 H new ATOM 964 N GLU A 58 -0.807 5.406 -1.935 1.00 42.23 N ATOM 965 CA GLU A 58 -2.108 6.087 -1.850 1.00 22.35 C ATOM 966 C GLU A 58 -3.132 5.328 -2.720 1.00 72.51 C ATOM 967 O GLU A 58 -3.093 5.425 -3.944 1.00 21.13 O ATOM 968 CB GLU A 58 -1.967 7.565 -2.318 1.00 32.24 C ATOM 969 CG GLU A 58 -0.819 8.348 -1.639 1.00 53.41 C ATOM 970 CD GLU A 58 -0.805 9.845 -1.998 1.00 73.00 C ATOM 971 OE1 GLU A 58 -0.926 10.180 -3.188 1.00 14.35 O ATOM 972 OE2 GLU A 58 -0.663 10.698 -1.095 1.00 20.32 O ATOM 0 H GLU A 58 -0.207 5.756 -2.682 1.00 42.23 H new ATOM 0 HA GLU A 58 -2.457 6.093 -0.817 1.00 22.35 H new ATOM 0 HB2 GLU A 58 -1.810 7.577 -3.397 1.00 32.24 H new ATOM 0 HB3 GLU A 58 -2.906 8.084 -2.127 1.00 32.24 H new ATOM 0 HG2 GLU A 58 -0.906 8.242 -0.558 1.00 53.41 H new ATOM 0 HG3 GLU A 58 0.134 7.904 -1.927 1.00 53.41 H new ATOM 979 N VAL A 59 -3.997 4.529 -2.076 1.00 64.33 N ATOM 980 CA VAL A 59 -5.065 3.766 -2.755 1.00 12.20 C ATOM 981 C VAL A 59 -6.431 4.450 -2.489 1.00 52.34 C ATOM 982 O VAL A 59 -6.949 4.415 -1.370 1.00 53.42 O ATOM 983 CB VAL A 59 -5.107 2.267 -2.270 1.00 35.40 C ATOM 984 CG1 VAL A 59 -6.095 1.422 -3.107 1.00 33.43 C ATOM 985 CG2 VAL A 59 -3.696 1.621 -2.247 1.00 3.13 C ATOM 0 H VAL A 59 -3.978 4.391 -1.066 1.00 64.33 H new ATOM 0 HA VAL A 59 -4.854 3.759 -3.824 1.00 12.20 H new ATOM 0 HB VAL A 59 -5.472 2.281 -1.243 1.00 35.40 H new ATOM 0 HG11 VAL A 59 -6.095 0.395 -2.742 1.00 33.43 H new ATOM 0 HG12 VAL A 59 -7.098 1.839 -3.017 1.00 33.43 H new ATOM 0 HG13 VAL A 59 -5.789 1.435 -4.153 1.00 33.43 H new ATOM 0 HG21 VAL A 59 -3.774 0.588 -1.907 1.00 3.13 H new ATOM 0 HG22 VAL A 59 -3.270 1.641 -3.250 1.00 3.13 H new ATOM 0 HG23 VAL A 59 -3.051 2.179 -1.568 1.00 3.13 H new ATOM 995 N GLU A 60 -6.999 5.053 -3.538 1.00 73.24 N ATOM 996 CA GLU A 60 -8.205 5.900 -3.470 1.00 43.12 C ATOM 997 C GLU A 60 -9.446 5.133 -3.954 1.00 1.03 C ATOM 998 O GLU A 60 -9.348 4.304 -4.862 1.00 21.12 O ATOM 999 CB GLU A 60 -7.963 7.137 -4.357 1.00 35.33 C ATOM 1000 CG GLU A 60 -9.115 8.156 -4.447 1.00 65.44 C ATOM 1001 CD GLU A 60 -8.734 9.358 -5.319 1.00 43.31 C ATOM 1002 OE1 GLU A 60 -7.932 10.204 -4.860 1.00 3.15 O ATOM 1003 OE2 GLU A 60 -9.177 9.439 -6.479 1.00 64.32 O ATOM 0 H GLU A 60 -6.627 4.967 -4.484 1.00 73.24 H new ATOM 0 HA GLU A 60 -8.389 6.198 -2.438 1.00 43.12 H new ATOM 0 HB2 GLU A 60 -7.078 7.655 -3.986 1.00 35.33 H new ATOM 0 HB3 GLU A 60 -7.732 6.794 -5.365 1.00 35.33 H new ATOM 0 HG2 GLU A 60 -10.000 7.671 -4.860 1.00 65.44 H new ATOM 0 HG3 GLU A 60 -9.378 8.500 -3.446 1.00 65.44 H new ATOM 1010 N ARG A 61 -10.603 5.410 -3.320 1.00 3.10 N ATOM 1011 CA ARG A 61 -11.898 4.822 -3.694 1.00 31.13 C ATOM 1012 C ARG A 61 -12.350 5.391 -5.049 1.00 55.41 C ATOM 1013 O ARG A 61 -12.738 6.556 -5.145 1.00 71.40 O ATOM 1014 CB ARG A 61 -12.968 5.108 -2.597 1.00 30.02 C ATOM 1015 CG ARG A 61 -14.372 4.531 -2.903 1.00 71.14 C ATOM 1016 CD ARG A 61 -14.439 2.993 -2.825 1.00 60.42 C ATOM 1017 NE ARG A 61 -14.560 2.508 -1.440 1.00 53.21 N ATOM 1018 CZ ARG A 61 -15.237 1.403 -1.065 1.00 55.14 C ATOM 1019 NH1 ARG A 61 -15.863 0.635 -1.959 1.00 4.02 N ATOM 1020 NH2 ARG A 61 -15.280 1.061 0.210 1.00 30.25 N ATOM 0 H ARG A 61 -10.662 6.052 -2.530 1.00 3.10 H new ATOM 0 HA ARG A 61 -11.785 3.741 -3.781 1.00 31.13 H new ATOM 0 HB2 ARG A 61 -12.618 4.696 -1.650 1.00 30.02 H new ATOM 0 HB3 ARG A 61 -13.054 6.186 -2.463 1.00 30.02 H new ATOM 0 HG2 ARG A 61 -15.090 4.953 -2.200 1.00 71.14 H new ATOM 0 HG3 ARG A 61 -14.677 4.849 -3.900 1.00 71.14 H new ATOM 0 HD2 ARG A 61 -15.290 2.639 -3.407 1.00 60.42 H new ATOM 0 HD3 ARG A 61 -13.543 2.569 -3.279 1.00 60.42 H new ATOM 0 HE ARG A 61 -14.097 3.048 -0.709 1.00 53.21 H new ATOM 0 HH11 ARG A 61 -15.836 0.879 -2.949 1.00 4.02 H new ATOM 0 HH12 ARG A 61 -16.369 -0.196 -1.652 1.00 4.02 H new ATOM 0 HH21 ARG A 61 -14.802 1.632 0.907 1.00 30.25 H new ATOM 0 HH22 ARG A 61 -15.791 0.226 0.497 1.00 30.25 H new ATOM 1034 N GLN A 62 -12.247 4.567 -6.097 1.00 33.11 N ATOM 1035 CA GLN A 62 -12.704 4.910 -7.446 1.00 43.33 C ATOM 1036 C GLN A 62 -14.109 4.313 -7.655 1.00 61.21 C ATOM 1037 O GLN A 62 -14.258 3.173 -8.126 1.00 70.13 O ATOM 1038 CB GLN A 62 -11.694 4.396 -8.514 1.00 51.11 C ATOM 1039 CG GLN A 62 -11.925 4.985 -9.924 1.00 22.00 C ATOM 1040 CD GLN A 62 -11.849 6.520 -9.964 1.00 72.30 C ATOM 1041 OE1 GLN A 62 -11.083 7.148 -9.231 1.00 11.15 O ATOM 1042 NE2 GLN A 62 -12.678 7.139 -10.790 1.00 34.20 N ATOM 0 H GLN A 62 -11.840 3.634 -6.031 1.00 33.11 H new ATOM 0 HA GLN A 62 -12.759 5.993 -7.559 1.00 43.33 H new ATOM 0 HB2 GLN A 62 -10.682 4.639 -8.190 1.00 51.11 H new ATOM 0 HB3 GLN A 62 -11.759 3.309 -8.569 1.00 51.11 H new ATOM 0 HG2 GLN A 62 -11.182 4.574 -10.608 1.00 22.00 H new ATOM 0 HG3 GLN A 62 -12.903 4.667 -10.287 1.00 22.00 H new ATOM 0 HE21 GLN A 62 -13.303 6.597 -11.387 1.00 34.20 H new ATOM 0 HE22 GLN A 62 -12.692 8.158 -10.830 1.00 34.20 H new ATOM 1051 N GLY A 63 -15.129 5.086 -7.233 1.00 52.55 N ATOM 1052 CA GLY A 63 -16.524 4.657 -7.261 1.00 11.21 C ATOM 1053 C GLY A 63 -16.778 3.545 -6.251 1.00 43.33 C ATOM 1054 O GLY A 63 -16.880 3.808 -5.051 1.00 54.13 O ATOM 0 H GLY A 63 -14.998 6.028 -6.863 1.00 52.55 H new ATOM 0 HA2 GLY A 63 -17.173 5.505 -7.043 1.00 11.21 H new ATOM 0 HA3 GLY A 63 -16.780 4.309 -8.262 1.00 11.21 H new ATOM 1058 N ASN A 64 -16.832 2.300 -6.750 1.00 20.43 N ATOM 1059 CA ASN A 64 -17.002 1.071 -5.936 1.00 14.12 C ATOM 1060 C ASN A 64 -15.645 0.374 -5.734 1.00 24.44 C ATOM 1061 O ASN A 64 -15.383 -0.211 -4.676 1.00 31.53 O ATOM 1062 CB ASN A 64 -18.019 0.110 -6.622 1.00 25.12 C ATOM 1063 CG ASN A 64 -19.445 0.667 -6.642 1.00 53.12 C ATOM 1064 OD1 ASN A 64 -19.871 1.352 -5.709 1.00 60.42 O ATOM 1065 ND2 ASN A 64 -20.184 0.394 -7.708 1.00 4.32 N ATOM 0 H ASN A 64 -16.758 2.108 -7.749 1.00 20.43 H new ATOM 0 HA ASN A 64 -17.394 1.347 -4.957 1.00 14.12 H new ATOM 0 HB2 ASN A 64 -17.695 -0.083 -7.645 1.00 25.12 H new ATOM 0 HB3 ASN A 64 -18.015 -0.847 -6.100 1.00 25.12 H new ATOM 0 HD21 ASN A 64 -21.136 0.754 -7.774 1.00 4.32 H new ATOM 0 HD22 ASN A 64 -19.801 -0.176 -8.462 1.00 4.32 H new ATOM 1072 N THR A 65 -14.776 0.485 -6.751 1.00 64.52 N ATOM 1073 CA THR A 65 -13.440 -0.138 -6.762 1.00 12.12 C ATOM 1074 C THR A 65 -12.406 0.774 -6.080 1.00 32.34 C ATOM 1075 O THR A 65 -12.737 1.868 -5.617 1.00 11.15 O ATOM 1076 CB THR A 65 -12.989 -0.448 -8.228 1.00 32.01 C ATOM 1077 OG1 THR A 65 -13.155 0.721 -9.049 1.00 55.30 O ATOM 1078 CG2 THR A 65 -13.768 -1.618 -8.844 1.00 51.10 C ATOM 0 H THR A 65 -14.982 1.015 -7.598 1.00 64.52 H new ATOM 0 HA THR A 65 -13.502 -1.073 -6.206 1.00 12.12 H new ATOM 0 HB THR A 65 -11.938 -0.735 -8.187 1.00 32.01 H new ATOM 0 HG1 THR A 65 -13.403 1.484 -8.486 1.00 55.30 H new ATOM 0 HG21 THR A 65 -13.418 -1.793 -9.861 1.00 51.10 H new ATOM 0 HG22 THR A 65 -13.609 -2.516 -8.246 1.00 51.10 H new ATOM 0 HG23 THR A 65 -14.831 -1.378 -8.863 1.00 51.10 H new ATOM 1086 N TRP A 66 -11.164 0.283 -5.984 1.00 34.13 N ATOM 1087 CA TRP A 66 -10.007 1.058 -5.518 1.00 60.41 C ATOM 1088 C TRP A 66 -9.045 1.279 -6.695 1.00 35.31 C ATOM 1089 O TRP A 66 -9.093 0.543 -7.687 1.00 34.41 O ATOM 1090 CB TRP A 66 -9.315 0.309 -4.350 1.00 3.05 C ATOM 1091 CG TRP A 66 -10.217 0.185 -3.143 1.00 71.51 C ATOM 1092 CD1 TRP A 66 -11.024 -0.867 -2.806 1.00 73.41 C ATOM 1093 CD2 TRP A 66 -10.433 1.188 -2.141 1.00 2.10 C ATOM 1094 NE1 TRP A 66 -11.734 -0.569 -1.671 1.00 4.53 N ATOM 1095 CE2 TRP A 66 -11.388 0.683 -1.244 1.00 14.23 C ATOM 1096 CE3 TRP A 66 -9.911 2.459 -1.915 1.00 44.32 C ATOM 1097 CZ2 TRP A 66 -11.831 1.413 -0.150 1.00 14.13 C ATOM 1098 CZ3 TRP A 66 -10.354 3.185 -0.828 1.00 2.43 C ATOM 1099 CH2 TRP A 66 -11.310 2.658 0.042 1.00 23.11 C ATOM 0 H TRP A 66 -10.931 -0.679 -6.232 1.00 34.13 H new ATOM 0 HA TRP A 66 -10.327 2.032 -5.147 1.00 60.41 H new ATOM 0 HB2 TRP A 66 -9.016 -0.685 -4.683 1.00 3.05 H new ATOM 0 HB3 TRP A 66 -8.404 0.838 -4.069 1.00 3.05 H new ATOM 0 HD1 TRP A 66 -11.092 -1.796 -3.353 1.00 73.41 H new ATOM 0 HE1 TRP A 66 -12.411 -1.183 -1.218 1.00 4.53 H new ATOM 0 HE3 TRP A 66 -9.169 2.872 -2.582 1.00 44.32 H new ATOM 0 HZ2 TRP A 66 -12.566 1.007 0.529 1.00 14.13 H new ATOM 0 HZ3 TRP A 66 -9.956 4.173 -0.648 1.00 2.43 H new ATOM 0 HH2 TRP A 66 -11.643 3.248 0.883 1.00 23.11 H new ATOM 1110 N THR A 67 -8.185 2.298 -6.583 1.00 63.11 N ATOM 1111 CA THR A 67 -7.190 2.642 -7.610 1.00 73.42 C ATOM 1112 C THR A 67 -5.925 3.180 -6.925 1.00 63.44 C ATOM 1113 O THR A 67 -6.011 3.933 -5.954 1.00 34.03 O ATOM 1114 CB THR A 67 -7.755 3.693 -8.638 1.00 11.05 C ATOM 1115 OG1 THR A 67 -6.819 3.892 -9.707 1.00 55.35 O ATOM 1116 CG2 THR A 67 -8.086 5.055 -7.987 1.00 40.43 C ATOM 0 H THR A 67 -8.159 2.914 -5.770 1.00 63.11 H new ATOM 0 HA THR A 67 -6.947 1.742 -8.175 1.00 73.42 H new ATOM 0 HB THR A 67 -8.688 3.280 -9.023 1.00 11.05 H new ATOM 0 HG1 THR A 67 -7.181 4.546 -10.341 1.00 55.35 H new ATOM 0 HG21 THR A 67 -8.471 5.737 -8.745 1.00 40.43 H new ATOM 0 HG22 THR A 67 -8.838 4.914 -7.211 1.00 40.43 H new ATOM 0 HG23 THR A 67 -7.183 5.476 -7.545 1.00 40.43 H new ATOM 1124 N VAL A 68 -4.751 2.761 -7.401 1.00 60.31 N ATOM 1125 CA VAL A 68 -3.470 3.252 -6.877 1.00 50.43 C ATOM 1126 C VAL A 68 -3.097 4.549 -7.608 1.00 2.31 C ATOM 1127 O VAL A 68 -2.909 4.555 -8.830 1.00 4.45 O ATOM 1128 CB VAL A 68 -2.335 2.178 -7.005 1.00 62.24 C ATOM 1129 CG1 VAL A 68 -0.964 2.724 -6.528 1.00 64.31 C ATOM 1130 CG2 VAL A 68 -2.730 0.902 -6.228 1.00 14.42 C ATOM 0 H VAL A 68 -4.658 2.078 -8.153 1.00 60.31 H new ATOM 0 HA VAL A 68 -3.580 3.455 -5.812 1.00 50.43 H new ATOM 0 HB VAL A 68 -2.222 1.928 -8.060 1.00 62.24 H new ATOM 0 HG11 VAL A 68 -0.206 1.948 -6.634 1.00 64.31 H new ATOM 0 HG12 VAL A 68 -0.686 3.587 -7.133 1.00 64.31 H new ATOM 0 HG13 VAL A 68 -1.035 3.022 -5.482 1.00 64.31 H new ATOM 0 HG21 VAL A 68 -1.937 0.160 -6.321 1.00 14.42 H new ATOM 0 HG22 VAL A 68 -2.876 1.147 -5.176 1.00 14.42 H new ATOM 0 HG23 VAL A 68 -3.655 0.498 -6.638 1.00 14.42 H new ATOM 1140 N LYS A 69 -3.063 5.637 -6.840 1.00 61.33 N ATOM 1141 CA LYS A 69 -2.739 6.981 -7.326 1.00 60.23 C ATOM 1142 C LYS A 69 -1.234 7.103 -7.584 1.00 40.50 C ATOM 1143 O LYS A 69 -0.803 7.542 -8.659 1.00 11.23 O ATOM 1144 CB LYS A 69 -3.209 8.029 -6.285 1.00 21.44 C ATOM 1145 CG LYS A 69 -4.708 7.939 -5.907 1.00 24.41 C ATOM 1146 CD LYS A 69 -5.660 8.173 -7.099 1.00 3.11 C ATOM 1147 CE LYS A 69 -5.496 9.558 -7.749 1.00 21.44 C ATOM 1148 NZ LYS A 69 -5.631 10.663 -6.764 1.00 33.11 N ATOM 0 H LYS A 69 -3.264 5.610 -5.840 1.00 61.33 H new ATOM 0 HA LYS A 69 -3.256 7.163 -8.268 1.00 60.23 H new ATOM 0 HB2 LYS A 69 -2.613 7.915 -5.380 1.00 21.44 H new ATOM 0 HB3 LYS A 69 -3.006 9.026 -6.676 1.00 21.44 H new ATOM 0 HG2 LYS A 69 -4.908 6.956 -5.480 1.00 24.41 H new ATOM 0 HG3 LYS A 69 -4.923 8.674 -5.131 1.00 24.41 H new ATOM 0 HD2 LYS A 69 -5.485 7.404 -7.851 1.00 3.11 H new ATOM 0 HD3 LYS A 69 -6.690 8.058 -6.760 1.00 3.11 H new ATOM 0 HE2 LYS A 69 -4.519 9.619 -8.228 1.00 21.44 H new ATOM 0 HE3 LYS A 69 -6.243 9.680 -8.533 1.00 21.44 H new ATOM 0 HZ1 LYS A 69 -5.802 11.557 -7.267 1.00 33.11 H new ATOM 0 HZ2 LYS A 69 -6.430 10.465 -6.128 1.00 33.11 H new ATOM 0 HZ3 LYS A 69 -4.756 10.741 -6.207 1.00 33.11 H new ATOM 1162 N ARG A 70 -0.445 6.689 -6.578 1.00 54.03 N ATOM 1163 CA ARG A 70 1.017 6.690 -6.661 1.00 50.30 C ATOM 1164 C ARG A 70 1.631 5.705 -5.662 1.00 23.10 C ATOM 1165 O ARG A 70 1.002 5.305 -4.666 1.00 43.22 O ATOM 1166 CB ARG A 70 1.616 8.106 -6.400 1.00 71.44 C ATOM 1167 CG ARG A 70 1.374 8.676 -4.983 1.00 60.03 C ATOM 1168 CD ARG A 70 2.232 9.918 -4.663 1.00 14.34 C ATOM 1169 NE ARG A 70 2.109 10.982 -5.680 1.00 43.21 N ATOM 1170 CZ ARG A 70 1.370 12.101 -5.554 1.00 23.40 C ATOM 1171 NH1 ARG A 70 0.653 12.337 -4.450 1.00 73.03 N ATOM 1172 NH2 ARG A 70 1.356 12.989 -6.539 1.00 62.34 N ATOM 0 H ARG A 70 -0.806 6.346 -5.688 1.00 54.03 H new ATOM 0 HA ARG A 70 1.264 6.384 -7.677 1.00 50.30 H new ATOM 0 HB2 ARG A 70 2.690 8.066 -6.579 1.00 71.44 H new ATOM 0 HB3 ARG A 70 1.197 8.800 -7.129 1.00 71.44 H new ATOM 0 HG2 ARG A 70 0.320 8.936 -4.880 1.00 60.03 H new ATOM 0 HG3 ARG A 70 1.584 7.900 -4.247 1.00 60.03 H new ATOM 0 HD2 ARG A 70 1.938 10.316 -3.692 1.00 14.34 H new ATOM 0 HD3 ARG A 70 3.277 9.620 -4.582 1.00 14.34 H new ATOM 0 HE ARG A 70 2.627 10.859 -6.550 1.00 43.21 H new ATOM 0 HH11 ARG A 70 0.659 11.663 -3.684 1.00 73.03 H new ATOM 0 HH12 ARG A 70 0.100 13.191 -4.374 1.00 73.03 H new ATOM 0 HH21 ARG A 70 1.902 12.822 -7.384 1.00 62.34 H new ATOM 0 HH22 ARG A 70 0.799 13.839 -6.451 1.00 62.34 H new ATOM 1186 N ILE A 71 2.879 5.347 -5.965 1.00 14.31 N ATOM 1187 CA ILE A 71 3.799 4.641 -5.075 1.00 52.23 C ATOM 1188 C ILE A 71 4.950 5.613 -4.777 1.00 44.51 C ATOM 1189 O ILE A 71 5.580 6.103 -5.720 1.00 21.35 O ATOM 1190 CB ILE A 71 4.412 3.358 -5.768 1.00 73.33 C ATOM 1191 CG1 ILE A 71 3.305 2.417 -6.337 1.00 60.14 C ATOM 1192 CG2 ILE A 71 5.356 2.595 -4.806 1.00 3.40 C ATOM 1193 CD1 ILE A 71 2.395 1.819 -5.301 1.00 20.21 C ATOM 0 H ILE A 71 3.293 5.550 -6.875 1.00 14.31 H new ATOM 0 HA ILE A 71 3.266 4.321 -4.180 1.00 52.23 H new ATOM 0 HB ILE A 71 5.006 3.705 -6.614 1.00 73.33 H new ATOM 0 HG12 ILE A 71 2.702 2.978 -7.050 1.00 60.14 H new ATOM 0 HG13 ILE A 71 3.783 1.609 -6.891 1.00 60.14 H new ATOM 0 HG21 ILE A 71 5.761 1.719 -5.312 1.00 3.40 H new ATOM 0 HG22 ILE A 71 6.174 3.249 -4.504 1.00 3.40 H new ATOM 0 HG23 ILE A 71 4.799 2.279 -3.924 1.00 3.40 H new ATOM 0 HD11 ILE A 71 1.659 1.180 -5.789 1.00 20.21 H new ATOM 0 HD12 ILE A 71 2.982 1.226 -4.600 1.00 20.21 H new ATOM 0 HD13 ILE A 71 1.883 2.617 -4.762 1.00 20.21 H new ATOM 1205 N THR A 72 5.216 5.920 -3.507 1.00 41.34 N ATOM 1206 CA THR A 72 6.406 6.699 -3.126 1.00 23.43 C ATOM 1207 C THR A 72 7.183 5.934 -2.049 1.00 33.21 C ATOM 1208 O THR A 72 6.591 5.383 -1.121 1.00 75.15 O ATOM 1209 CB THR A 72 6.050 8.163 -2.662 1.00 51.13 C ATOM 1210 OG1 THR A 72 7.258 8.910 -2.417 1.00 51.25 O ATOM 1211 CG2 THR A 72 5.156 8.210 -1.408 1.00 75.20 C ATOM 0 H THR A 72 4.627 5.644 -2.721 1.00 41.34 H new ATOM 0 HA THR A 72 7.036 6.818 -4.008 1.00 23.43 H new ATOM 0 HB THR A 72 5.479 8.611 -3.475 1.00 51.13 H new ATOM 0 HG1 THR A 72 7.028 9.819 -2.131 1.00 51.25 H new ATOM 0 HG21 THR A 72 4.951 9.248 -1.146 1.00 75.20 H new ATOM 0 HG22 THR A 72 4.217 7.695 -1.611 1.00 75.20 H new ATOM 0 HG23 THR A 72 5.666 7.720 -0.579 1.00 75.20 H new ATOM 1219 N ARG A 73 8.503 5.854 -2.229 1.00 3.45 N ATOM 1220 CA ARG A 73 9.425 5.232 -1.268 1.00 74.13 C ATOM 1221 C ARG A 73 9.936 6.322 -0.311 1.00 41.12 C ATOM 1222 O ARG A 73 10.179 7.453 -0.751 1.00 44.54 O ATOM 1223 CB ARG A 73 10.617 4.589 -2.033 1.00 34.33 C ATOM 1224 CG ARG A 73 11.599 3.764 -1.164 1.00 35.43 C ATOM 1225 CD ARG A 73 12.849 3.303 -1.939 1.00 35.40 C ATOM 1226 NE ARG A 73 12.532 2.479 -3.126 1.00 0.01 N ATOM 1227 CZ ARG A 73 13.390 1.634 -3.736 1.00 43.33 C ATOM 1228 NH1 ARG A 73 14.638 1.454 -3.302 1.00 73.34 N ATOM 1229 NH2 ARG A 73 12.976 0.939 -4.786 1.00 45.31 N ATOM 0 H ARG A 73 8.971 6.224 -3.057 1.00 3.45 H new ATOM 0 HA ARG A 73 8.914 4.454 -0.701 1.00 74.13 H new ATOM 0 HB2 ARG A 73 10.218 3.942 -2.814 1.00 34.33 H new ATOM 0 HB3 ARG A 73 11.177 5.381 -2.531 1.00 34.33 H new ATOM 0 HG2 ARG A 73 11.910 4.363 -0.308 1.00 35.43 H new ATOM 0 HG3 ARG A 73 11.080 2.890 -0.770 1.00 35.43 H new ATOM 0 HD2 ARG A 73 13.416 4.179 -2.255 1.00 35.40 H new ATOM 0 HD3 ARG A 73 13.492 2.731 -1.270 1.00 35.40 H new ATOM 0 HE ARG A 73 11.592 2.555 -3.514 1.00 0.01 H new ATOM 0 HH11 ARG A 73 14.972 1.963 -2.484 1.00 73.34 H new ATOM 0 HH12 ARG A 73 15.259 0.807 -3.788 1.00 73.34 H new ATOM 0 HH21 ARG A 73 12.020 1.046 -5.124 1.00 45.31 H new ATOM 0 HH22 ARG A 73 13.614 0.297 -5.256 1.00 45.31 H new ATOM 1243 N THR A 74 10.065 5.998 0.989 1.00 54.34 N ATOM 1244 CA THR A 74 10.707 6.894 1.962 1.00 11.32 C ATOM 1245 C THR A 74 12.219 6.948 1.656 1.00 14.53 C ATOM 1246 O THR A 74 12.880 5.899 1.569 1.00 4.02 O ATOM 1247 CB THR A 74 10.428 6.469 3.461 1.00 64.41 C ATOM 1248 OG1 THR A 74 10.954 7.459 4.363 1.00 61.14 O ATOM 1249 CG2 THR A 74 11.005 5.077 3.838 1.00 54.01 C ATOM 0 H THR A 74 9.732 5.120 1.388 1.00 54.34 H new ATOM 0 HA THR A 74 10.274 7.889 1.859 1.00 11.32 H new ATOM 0 HB THR A 74 9.344 6.397 3.553 1.00 64.41 H new ATOM 0 HG1 THR A 74 10.775 7.187 5.287 1.00 61.14 H new ATOM 0 HG21 THR A 74 10.773 4.857 4.880 1.00 54.01 H new ATOM 0 HG22 THR A 74 10.561 4.314 3.199 1.00 54.01 H new ATOM 0 HG23 THR A 74 12.086 5.082 3.700 1.00 54.01 H new ATOM 1257 N VAL A 75 12.734 8.170 1.410 1.00 74.30 N ATOM 1258 CA VAL A 75 14.137 8.381 1.026 1.00 41.30 C ATOM 1259 C VAL A 75 15.069 8.067 2.224 1.00 3.14 C ATOM 1260 O VAL A 75 15.034 8.736 3.265 1.00 32.32 O ATOM 1261 CB VAL A 75 14.383 9.828 0.429 1.00 35.01 C ATOM 1262 CG1 VAL A 75 13.950 10.962 1.391 1.00 52.31 C ATOM 1263 CG2 VAL A 75 15.857 9.998 -0.042 1.00 54.44 C ATOM 0 H VAL A 75 12.190 9.030 1.472 1.00 74.30 H new ATOM 0 HA VAL A 75 14.379 7.687 0.221 1.00 41.30 H new ATOM 0 HB VAL A 75 13.739 9.918 -0.446 1.00 35.01 H new ATOM 0 HG11 VAL A 75 14.144 11.928 0.925 1.00 52.31 H new ATOM 0 HG12 VAL A 75 12.885 10.870 1.606 1.00 52.31 H new ATOM 0 HG13 VAL A 75 14.516 10.887 2.320 1.00 52.31 H new ATOM 0 HG21 VAL A 75 15.996 11.000 -0.447 1.00 54.44 H new ATOM 0 HG22 VAL A 75 16.528 9.852 0.804 1.00 54.44 H new ATOM 0 HG23 VAL A 75 16.080 9.261 -0.813 1.00 54.44 H new ATOM 1273 N GLY A 76 15.845 6.986 2.059 1.00 34.14 N ATOM 1274 CA GLY A 76 16.801 6.497 3.055 1.00 0.35 C ATOM 1275 C GLY A 76 18.126 6.166 2.389 1.00 14.44 C ATOM 1276 O GLY A 76 19.199 6.415 2.947 1.00 43.22 O ATOM 0 H GLY A 76 15.823 6.418 1.212 1.00 34.14 H new ATOM 0 HA2 GLY A 76 16.952 7.252 3.827 1.00 0.35 H new ATOM 0 HA3 GLY A 76 16.402 5.611 3.549 1.00 0.35 H new ATOM 1280 N SER A 77 18.040 5.599 1.178 1.00 1.25 N ATOM 1281 CA SER A 77 19.193 5.352 0.314 1.00 51.22 C ATOM 1282 C SER A 77 18.771 5.622 -1.137 1.00 25.04 C ATOM 1283 O SER A 77 17.883 4.938 -1.661 1.00 52.32 O ATOM 1284 CB SER A 77 19.698 3.898 0.486 1.00 2.00 C ATOM 1285 OG SER A 77 20.887 3.649 -0.253 1.00 44.01 O ATOM 0 H SER A 77 17.155 5.297 0.770 1.00 1.25 H new ATOM 0 HA SER A 77 20.015 6.014 0.585 1.00 51.22 H new ATOM 0 HB2 SER A 77 19.882 3.702 1.542 1.00 2.00 H new ATOM 0 HB3 SER A 77 18.921 3.205 0.164 1.00 2.00 H new ATOM 0 HG SER A 77 21.170 2.721 -0.114 1.00 44.01 H new ATOM 1291 N LEU A 78 19.375 6.654 -1.756 1.00 61.40 N ATOM 1292 CA LEU A 78 19.162 6.987 -3.185 1.00 12.12 C ATOM 1293 C LEU A 78 19.736 5.872 -4.086 1.00 31.33 C ATOM 1294 O LEU A 78 20.562 5.068 -3.628 1.00 71.10 O ATOM 1295 CB LEU A 78 19.809 8.366 -3.568 1.00 34.22 C ATOM 1296 CG LEU A 78 21.383 8.436 -3.702 1.00 53.13 C ATOM 1297 CD1 LEU A 78 21.830 9.760 -4.376 1.00 53.52 C ATOM 1298 CD2 LEU A 78 22.094 8.254 -2.338 1.00 10.35 C ATOM 0 H LEU A 78 20.025 7.282 -1.283 1.00 61.40 H new ATOM 0 HA LEU A 78 18.086 7.067 -3.343 1.00 12.12 H new ATOM 0 HB2 LEU A 78 19.379 8.685 -4.517 1.00 34.22 H new ATOM 0 HB3 LEU A 78 19.505 9.097 -2.819 1.00 34.22 H new ATOM 0 HG LEU A 78 21.682 7.604 -4.340 1.00 53.13 H new ATOM 0 HD11 LEU A 78 22.917 9.779 -4.454 1.00 53.52 H new ATOM 0 HD12 LEU A 78 21.393 9.827 -5.372 1.00 53.52 H new ATOM 0 HD13 LEU A 78 21.494 10.605 -3.775 1.00 53.52 H new ATOM 0 HD21 LEU A 78 23.173 8.309 -2.480 1.00 10.35 H new ATOM 0 HD22 LEU A 78 21.777 9.042 -1.654 1.00 10.35 H new ATOM 0 HD23 LEU A 78 21.833 7.283 -1.918 1.00 10.35 H new ATOM 1310 N GLU A 79 19.314 5.845 -5.365 1.00 11.23 N ATOM 1311 CA GLU A 79 19.815 4.878 -6.356 1.00 0.33 C ATOM 1312 C GLU A 79 21.312 5.119 -6.660 1.00 12.04 C ATOM 1313 O GLU A 79 21.664 5.838 -7.609 1.00 65.31 O ATOM 1314 CB GLU A 79 18.988 4.957 -7.669 1.00 64.12 C ATOM 1315 CG GLU A 79 17.499 4.582 -7.547 1.00 30.02 C ATOM 1316 CD GLU A 79 16.758 4.698 -8.896 1.00 35.01 C ATOM 1317 OE1 GLU A 79 16.018 5.684 -9.107 1.00 32.12 O ATOM 1318 OE2 GLU A 79 16.936 3.812 -9.763 1.00 34.40 O ATOM 0 H GLU A 79 18.618 6.491 -5.738 1.00 11.23 H new ATOM 0 HA GLU A 79 19.705 3.881 -5.930 1.00 0.33 H new ATOM 0 HB2 GLU A 79 19.057 5.973 -8.059 1.00 64.12 H new ATOM 0 HB3 GLU A 79 19.449 4.300 -8.407 1.00 64.12 H new ATOM 0 HG2 GLU A 79 17.412 3.562 -7.173 1.00 30.02 H new ATOM 0 HG3 GLU A 79 17.021 5.232 -6.814 1.00 30.02 H new ATOM 1325 N HIS A 80 22.186 4.554 -5.816 1.00 30.53 N ATOM 1326 CA HIS A 80 23.623 4.483 -6.094 1.00 34.40 C ATOM 1327 C HIS A 80 23.823 3.341 -7.086 1.00 2.42 C ATOM 1328 O HIS A 80 23.998 2.175 -6.689 1.00 4.53 O ATOM 1329 CB HIS A 80 24.455 4.283 -4.788 1.00 61.33 C ATOM 1330 CG HIS A 80 25.956 4.201 -4.992 1.00 50.31 C ATOM 1331 ND1 HIS A 80 26.783 5.308 -4.969 1.00 34.11 N ATOM 1332 CD2 HIS A 80 26.780 3.141 -5.230 1.00 53.41 C ATOM 1333 CE1 HIS A 80 28.032 4.934 -5.179 1.00 61.11 C ATOM 1334 NE2 HIS A 80 28.054 3.630 -5.342 1.00 3.01 N ATOM 0 H HIS A 80 21.916 4.136 -4.926 1.00 30.53 H new ATOM 0 HA HIS A 80 23.981 5.420 -6.520 1.00 34.40 H new ATOM 0 HB2 HIS A 80 24.240 5.107 -4.108 1.00 61.33 H new ATOM 0 HB3 HIS A 80 24.119 3.369 -4.297 1.00 61.33 H new ATOM 0 HD2 HIS A 80 26.483 2.106 -5.315 1.00 53.41 H new ATOM 0 HE1 HIS A 80 28.890 5.589 -5.211 1.00 61.11 H new ATOM 0 HE2 HIS A 80 28.888 3.071 -5.523 1.00 3.01 H new ATOM 1343 N HIS A 81 23.687 3.673 -8.382 1.00 14.10 N ATOM 1344 CA HIS A 81 23.821 2.702 -9.467 1.00 3.53 C ATOM 1345 C HIS A 81 25.272 2.231 -9.545 1.00 4.32 C ATOM 1346 O HIS A 81 26.204 3.045 -9.512 1.00 33.53 O ATOM 1347 CB HIS A 81 23.337 3.293 -10.818 1.00 1.03 C ATOM 1348 CG HIS A 81 21.839 3.433 -10.923 1.00 64.01 C ATOM 1349 ND1 HIS A 81 21.020 2.389 -11.288 1.00 41.54 N ATOM 1350 CD2 HIS A 81 21.018 4.490 -10.721 1.00 20.23 C ATOM 1351 CE1 HIS A 81 19.768 2.801 -11.313 1.00 54.51 C ATOM 1352 NE2 HIS A 81 19.740 4.069 -10.969 1.00 70.21 N ATOM 0 H HIS A 81 23.482 4.620 -8.699 1.00 14.10 H new ATOM 0 HA HIS A 81 23.184 1.843 -9.258 1.00 3.53 H new ATOM 0 HB2 HIS A 81 23.794 4.272 -10.959 1.00 1.03 H new ATOM 0 HB3 HIS A 81 23.690 2.656 -11.629 1.00 1.03 H new ATOM 0 HD2 HIS A 81 21.317 5.483 -10.420 1.00 20.23 H new ATOM 0 HE1 HIS A 81 18.910 2.198 -11.572 1.00 54.51 H new ATOM 0 HE2 HIS A 81 18.902 4.646 -10.898 1.00 70.21 H new ATOM 1361 N HIS A 82 25.435 0.910 -9.643 1.00 11.21 N ATOM 1362 CA HIS A 82 26.726 0.224 -9.487 1.00 54.21 C ATOM 1363 C HIS A 82 27.706 0.605 -10.609 1.00 63.01 C ATOM 1364 O HIS A 82 28.911 0.733 -10.354 1.00 53.41 O ATOM 1365 CB HIS A 82 26.494 -1.314 -9.424 1.00 63.01 C ATOM 1366 CG HIS A 82 25.745 -1.771 -8.195 1.00 24.05 C ATOM 1367 ND1 HIS A 82 26.082 -2.896 -7.475 1.00 63.23 N ATOM 1368 CD2 HIS A 82 24.673 -1.239 -7.554 1.00 62.02 C ATOM 1369 CE1 HIS A 82 25.254 -3.032 -6.456 1.00 74.25 C ATOM 1370 NE2 HIS A 82 24.391 -2.043 -6.488 1.00 45.21 N ATOM 0 H HIS A 82 24.662 0.273 -9.836 1.00 11.21 H new ATOM 0 HA HIS A 82 27.184 0.546 -8.552 1.00 54.21 H new ATOM 0 HB2 HIS A 82 25.941 -1.625 -10.311 1.00 63.01 H new ATOM 0 HB3 HIS A 82 27.460 -1.819 -9.457 1.00 63.01 H new ATOM 0 HD2 HIS A 82 24.140 -0.343 -7.836 1.00 62.02 H new ATOM 0 HE1 HIS A 82 25.282 -3.823 -5.721 1.00 74.25 H new ATOM 0 HE2 HIS A 82 23.631 -1.899 -5.823 1.00 45.21 H new ATOM 1379 N HIS A 83 27.158 0.821 -11.826 1.00 5.01 N ATOM 1380 CA HIS A 83 27.927 1.217 -13.024 1.00 44.53 C ATOM 1381 C HIS A 83 29.062 0.211 -13.301 1.00 12.21 C ATOM 1382 O HIS A 83 30.223 0.452 -12.969 1.00 1.41 O ATOM 1383 CB HIS A 83 28.463 2.680 -12.916 1.00 2.24 C ATOM 1384 CG HIS A 83 27.398 3.749 -12.977 1.00 21.03 C ATOM 1385 ND1 HIS A 83 27.014 4.504 -11.891 1.00 34.14 N ATOM 1386 CD2 HIS A 83 26.673 4.217 -14.022 1.00 34.54 C ATOM 1387 CE1 HIS A 83 26.099 5.376 -12.263 1.00 44.32 C ATOM 1388 NE2 HIS A 83 25.876 5.226 -13.551 1.00 3.44 N ATOM 0 H HIS A 83 26.158 0.724 -12.004 1.00 5.01 H new ATOM 0 HA HIS A 83 27.247 1.197 -13.876 1.00 44.53 H new ATOM 0 HB2 HIS A 83 29.009 2.784 -11.979 1.00 2.24 H new ATOM 0 HB3 HIS A 83 29.177 2.851 -13.722 1.00 2.24 H new ATOM 0 HD1 HIS A 83 27.381 4.404 -10.945 1.00 34.14 H new ATOM 0 HD2 HIS A 83 26.716 3.859 -15.040 1.00 34.54 H new ATOM 0 HE1 HIS A 83 25.613 6.094 -11.619 1.00 44.32 H new ATOM 1397 N HIS A 84 28.697 -0.939 -13.877 1.00 0.41 N ATOM 1398 CA HIS A 84 29.633 -2.049 -14.121 1.00 71.53 C ATOM 1399 C HIS A 84 29.495 -2.542 -15.571 1.00 62.52 C ATOM 1400 O HIS A 84 28.442 -2.371 -16.197 1.00 21.24 O ATOM 1401 CB HIS A 84 29.391 -3.202 -13.104 1.00 34.13 C ATOM 1402 CG HIS A 84 28.069 -3.914 -13.263 1.00 3.11 C ATOM 1403 ND1 HIS A 84 27.918 -5.059 -14.020 1.00 74.21 N ATOM 1404 CD2 HIS A 84 26.839 -3.636 -12.765 1.00 64.12 C ATOM 1405 CE1 HIS A 84 26.658 -5.445 -13.979 1.00 4.24 C ATOM 1406 NE2 HIS A 84 25.984 -4.599 -13.233 1.00 4.12 N ATOM 0 H HIS A 84 27.745 -1.130 -14.188 1.00 0.41 H new ATOM 0 HA HIS A 84 30.653 -1.693 -13.978 1.00 71.53 H new ATOM 0 HB2 HIS A 84 30.195 -3.931 -13.203 1.00 34.13 H new ATOM 0 HB3 HIS A 84 29.451 -2.796 -12.094 1.00 34.13 H new ATOM 0 HD2 HIS A 84 26.581 -2.809 -12.120 1.00 64.12 H new ATOM 0 HE1 HIS A 84 26.248 -6.312 -14.476 1.00 4.24 H new ATOM 0 HE2 HIS A 84 24.985 -4.651 -13.034 1.00 4.12 H new ATOM 1415 N HIS A 85 30.572 -3.145 -16.083 1.00 21.11 N ATOM 1416 CA HIS A 85 30.653 -3.643 -17.467 1.00 45.51 C ATOM 1417 C HIS A 85 29.981 -5.038 -17.578 1.00 4.23 C ATOM 1418 O HIS A 85 28.976 -5.183 -18.307 1.00 2.34 O ATOM 1419 CB HIS A 85 32.139 -3.649 -17.949 1.00 32.42 C ATOM 1420 CG HIS A 85 33.133 -4.311 -17.018 1.00 11.15 C ATOM 1421 ND1 HIS A 85 33.671 -3.667 -15.919 1.00 34.35 N ATOM 1422 CD2 HIS A 85 33.684 -5.551 -17.023 1.00 24.52 C ATOM 1423 CE1 HIS A 85 34.507 -4.482 -15.305 1.00 14.15 C ATOM 1424 NE2 HIS A 85 34.533 -5.623 -15.953 1.00 23.24 N ATOM 1425 OXT HIS A 85 30.418 -5.969 -16.871 1.00 37.43 O ATOM 0 H HIS A 85 31.424 -3.305 -15.545 1.00 21.11 H new ATOM 0 HA HIS A 85 30.104 -2.974 -18.130 1.00 45.51 H new ATOM 0 HB2 HIS A 85 32.185 -4.151 -18.915 1.00 32.42 H new ATOM 0 HB3 HIS A 85 32.453 -2.618 -18.110 1.00 32.42 H new ATOM 0 HD2 HIS A 85 33.488 -6.336 -17.739 1.00 24.52 H new ATOM 0 HE1 HIS A 85 35.076 -4.249 -14.417 1.00 14.15 H new ATOM 0 HE2 HIS A 85 35.097 -6.434 -15.699 1.00 23.24 H new TER 1434 HIS A 85