USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=19 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 48 THR OG1 : rot -120:sc= 0.077 USER MOD Set 1.2: A 55 TYR OH : rot -169:sc= 0.204 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.44 (180deg=1.35) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -133:sc= 0.157 (180deg=-2.74!) USER MOD Single : A 10 GLN : amide:sc= -0.642 K(o=-0.64,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= 0.543 (180deg=-0.0527) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,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= -4.73! K(o=-4.7!,f=-0.34) USER MOD Single : A 23 SER OG : rot 170:sc= -0.158 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 108:sc= 0.7 USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= -0.484 (180deg=-2.22!) USER MOD Single : A 29 GLN : amide:sc= -0.0987 X(o=-0.099,f=-0.18) USER MOD Single : A 34 GLN : amide:sc= -0.429 K(o=-0.43,f=-8!) USER MOD Single : A 35 LYS NZ :NH3+ -104:sc= 0.907 (180deg=-0.907) USER MOD Single : A 36 GLN : amide:sc= -0.0581 X(o=-0.058,f=-0.45) USER MOD Single : A 38 ASN : amide:sc= 0.305 K(o=0.3,f=-2.3!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0856 K(o=-0.086,f=-2.2!) USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= 0.775 (180deg=0.198) USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= -0.0331 (180deg=-0.0394) USER MOD Single : A 54 ASN : amide:sc= -2.68! K(o=-2.7!,f=-0.87) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 62 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.78) USER MOD Single : A 64 ASN : amide:sc= -1.55 K(o=-1.5,f=0) USER MOD Single : A 65 THR OG1 : rot -16:sc= 0.768 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.22 X(o=-0.22,f=-0.25) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.591 -7.577 2.248 1.00 13.00 N ATOM 2 CA MET A 1 -20.372 -6.429 1.722 1.00 64.51 C ATOM 3 C MET A 1 -19.624 -5.115 2.021 1.00 65.32 C ATOM 4 O MET A 1 -18.893 -5.066 3.021 1.00 10.45 O ATOM 5 CB MET A 1 -21.798 -6.405 2.342 1.00 52.33 C ATOM 6 CG MET A 1 -22.674 -7.618 1.988 1.00 5.44 C ATOM 7 SD MET A 1 -22.042 -9.173 2.658 1.00 22.02 S ATOM 8 CE MET A 1 -23.325 -10.324 2.151 1.00 63.43 C ATOM 0 H1 MET A 1 -20.121 -8.458 2.091 1.00 13.00 H new ATOM 0 H2 MET A 1 -18.677 -7.630 1.755 1.00 13.00 H new ATOM 0 H3 MET A 1 -19.428 -7.448 3.267 1.00 13.00 H new ATOM 0 HA MET A 1 -20.480 -6.537 0.643 1.00 64.51 H new ATOM 0 HB2 MET A 1 -21.707 -6.344 3.426 1.00 52.33 H new ATOM 0 HB3 MET A 1 -22.307 -5.499 2.014 1.00 52.33 H new ATOM 0 HG2 MET A 1 -23.683 -7.451 2.364 1.00 5.44 H new ATOM 0 HG3 MET A 1 -22.748 -7.701 0.904 1.00 5.44 H new ATOM 0 HE1 MET A 1 -23.071 -11.327 2.495 1.00 63.43 H new ATOM 0 HE2 MET A 1 -24.278 -10.022 2.586 1.00 63.43 H new ATOM 0 HE3 MET A 1 -23.406 -10.323 1.064 1.00 63.43 H new ATOM 20 N PRO A 2 -19.797 -4.033 1.161 1.00 31.12 N ATOM 21 CA PRO A 2 -19.136 -2.710 1.339 1.00 54.31 C ATOM 22 C PRO A 2 -19.160 -2.184 2.803 1.00 10.13 C ATOM 23 O PRO A 2 -20.220 -1.868 3.362 1.00 14.22 O ATOM 24 CB PRO A 2 -19.919 -1.769 0.361 1.00 73.11 C ATOM 25 CG PRO A 2 -21.075 -2.587 -0.155 1.00 11.42 C ATOM 26 CD PRO A 2 -20.611 -4.024 -0.088 1.00 2.31 C ATOM 0 HA PRO A 2 -18.070 -2.766 1.120 1.00 54.31 H new ATOM 0 HB2 PRO A 2 -20.271 -0.875 0.876 1.00 73.11 H new ATOM 0 HB3 PRO A 2 -19.280 -1.435 -0.456 1.00 73.11 H new ATOM 0 HG2 PRO A 2 -21.967 -2.433 0.452 1.00 11.42 H new ATOM 0 HG3 PRO A 2 -21.332 -2.304 -1.176 1.00 11.42 H new ATOM 0 HD2 PRO A 2 -21.448 -4.720 -0.034 1.00 2.31 H new ATOM 0 HD3 PRO A 2 -20.021 -4.303 -0.961 1.00 2.31 H new ATOM 34 N SER A 3 -17.969 -2.168 3.407 1.00 72.54 N ATOM 35 CA SER A 3 -17.725 -1.731 4.786 1.00 10.22 C ATOM 36 C SER A 3 -16.267 -1.301 4.878 1.00 33.24 C ATOM 37 O SER A 3 -15.410 -2.036 4.406 1.00 54.44 O ATOM 38 CB SER A 3 -17.999 -2.887 5.790 1.00 52.31 C ATOM 39 OG SER A 3 -17.573 -2.555 7.100 1.00 11.42 O ATOM 0 H SER A 3 -17.117 -2.469 2.933 1.00 72.54 H new ATOM 0 HA SER A 3 -18.392 -0.908 5.040 1.00 10.22 H new ATOM 0 HB2 SER A 3 -19.065 -3.115 5.801 1.00 52.31 H new ATOM 0 HB3 SER A 3 -17.484 -3.788 5.457 1.00 52.31 H new ATOM 0 HG SER A 3 -17.762 -3.303 7.705 1.00 11.42 H new ATOM 45 N GLU A 4 -15.985 -0.142 5.517 1.00 2.25 N ATOM 46 CA GLU A 4 -14.639 0.475 5.501 1.00 13.22 C ATOM 47 C GLU A 4 -13.568 -0.450 6.125 1.00 62.14 C ATOM 48 O GLU A 4 -12.406 -0.387 5.743 1.00 31.11 O ATOM 49 CB GLU A 4 -14.644 1.854 6.200 1.00 13.12 C ATOM 50 CG GLU A 4 -13.395 2.720 5.906 1.00 24.00 C ATOM 51 CD GLU A 4 -13.267 3.925 6.850 1.00 2.20 C ATOM 52 OE1 GLU A 4 -14.007 4.911 6.666 1.00 74.25 O ATOM 53 OE2 GLU A 4 -12.425 3.881 7.777 1.00 71.43 O ATOM 0 H GLU A 4 -16.675 0.386 6.052 1.00 2.25 H new ATOM 0 HA GLU A 4 -14.374 0.623 4.454 1.00 13.22 H new ATOM 0 HB2 GLU A 4 -15.533 2.402 5.890 1.00 13.12 H new ATOM 0 HB3 GLU A 4 -14.722 1.703 7.277 1.00 13.12 H new ATOM 0 HG2 GLU A 4 -12.502 2.101 5.992 1.00 24.00 H new ATOM 0 HG3 GLU A 4 -13.439 3.075 4.876 1.00 24.00 H new ATOM 60 N GLU A 5 -13.988 -1.302 7.075 1.00 51.04 N ATOM 61 CA GLU A 5 -13.138 -2.342 7.684 1.00 41.11 C ATOM 62 C GLU A 5 -12.726 -3.400 6.628 1.00 32.31 C ATOM 63 O GLU A 5 -11.548 -3.779 6.526 1.00 1.51 O ATOM 64 CB GLU A 5 -13.918 -3.002 8.853 1.00 71.51 C ATOM 65 CG GLU A 5 -14.271 -2.033 10.001 1.00 35.04 C ATOM 66 CD GLU A 5 -15.251 -2.627 11.027 1.00 54.54 C ATOM 67 OE1 GLU A 5 -16.464 -2.339 10.944 1.00 40.04 O ATOM 68 OE2 GLU A 5 -14.817 -3.401 11.904 1.00 75.45 O ATOM 0 H GLU A 5 -14.938 -1.289 7.447 1.00 51.04 H new ATOM 0 HA GLU A 5 -12.224 -1.890 8.068 1.00 41.11 H new ATOM 0 HB2 GLU A 5 -14.838 -3.436 8.462 1.00 71.51 H new ATOM 0 HB3 GLU A 5 -13.324 -3.823 9.254 1.00 71.51 H new ATOM 0 HG2 GLU A 5 -13.354 -1.740 10.513 1.00 35.04 H new ATOM 0 HG3 GLU A 5 -14.704 -1.126 9.580 1.00 35.04 H new ATOM 75 N GLU A 6 -13.727 -3.841 5.839 1.00 63.10 N ATOM 76 CA GLU A 6 -13.556 -4.814 4.736 1.00 45.11 C ATOM 77 C GLU A 6 -12.713 -4.207 3.605 1.00 53.30 C ATOM 78 O GLU A 6 -12.016 -4.924 2.861 1.00 54.34 O ATOM 79 CB GLU A 6 -14.960 -5.264 4.223 1.00 65.23 C ATOM 80 CG GLU A 6 -14.941 -6.391 3.167 1.00 23.45 C ATOM 81 CD GLU A 6 -16.324 -7.024 2.899 1.00 35.24 C ATOM 82 OE1 GLU A 6 -16.705 -7.206 1.722 1.00 12.34 O ATOM 83 OE2 GLU A 6 -17.031 -7.362 3.872 1.00 11.33 O ATOM 0 H GLU A 6 -14.691 -3.528 5.950 1.00 63.10 H new ATOM 0 HA GLU A 6 -13.022 -5.690 5.103 1.00 45.11 H new ATOM 0 HB2 GLU A 6 -15.552 -5.596 5.076 1.00 65.23 H new ATOM 0 HB3 GLU A 6 -15.469 -4.399 3.799 1.00 65.23 H new ATOM 0 HG2 GLU A 6 -14.548 -5.992 2.232 1.00 23.45 H new ATOM 0 HG3 GLU A 6 -14.253 -7.171 3.495 1.00 23.45 H new ATOM 90 N GLU A 7 -12.751 -2.872 3.503 1.00 53.23 N ATOM 91 CA GLU A 7 -11.984 -2.143 2.512 1.00 21.43 C ATOM 92 C GLU A 7 -10.478 -2.308 2.750 1.00 3.20 C ATOM 93 O GLU A 7 -9.770 -2.497 1.791 1.00 75.03 O ATOM 94 CB GLU A 7 -12.375 -0.652 2.462 1.00 24.22 C ATOM 95 CG GLU A 7 -13.866 -0.373 2.153 1.00 24.13 C ATOM 96 CD GLU A 7 -14.455 -1.218 1.003 1.00 53.24 C ATOM 97 OE1 GLU A 7 -14.149 -0.932 -0.172 1.00 3.45 O ATOM 98 OE2 GLU A 7 -15.235 -2.166 1.268 1.00 72.01 O ATOM 0 H GLU A 7 -13.316 -2.277 4.109 1.00 53.23 H new ATOM 0 HA GLU A 7 -12.225 -2.573 1.540 1.00 21.43 H new ATOM 0 HB2 GLU A 7 -12.127 -0.195 3.420 1.00 24.22 H new ATOM 0 HB3 GLU A 7 -11.765 -0.158 1.706 1.00 24.22 H new ATOM 0 HG2 GLU A 7 -14.450 -0.554 3.055 1.00 24.13 H new ATOM 0 HG3 GLU A 7 -13.981 0.682 1.906 1.00 24.13 H new ATOM 105 N LYS A 8 -9.998 -2.297 4.028 1.00 40.21 N ATOM 106 CA LYS A 8 -8.553 -2.524 4.327 1.00 31.12 C ATOM 107 C LYS A 8 -8.093 -3.906 3.813 1.00 13.13 C ATOM 108 O LYS A 8 -6.962 -4.045 3.346 1.00 11.11 O ATOM 109 CB LYS A 8 -8.211 -2.397 5.844 1.00 73.44 C ATOM 110 CG LYS A 8 -8.145 -0.953 6.414 1.00 75.04 C ATOM 111 CD LYS A 8 -9.531 -0.368 6.746 1.00 2.51 C ATOM 112 CE LYS A 8 -9.470 1.040 7.361 1.00 43.01 C ATOM 113 NZ LYS A 8 -10.822 1.496 7.794 1.00 63.10 N ATOM 0 H LYS A 8 -10.578 -2.137 4.852 1.00 40.21 H new ATOM 0 HA LYS A 8 -8.015 -1.734 3.803 1.00 31.12 H new ATOM 0 HB2 LYS A 8 -8.956 -2.955 6.411 1.00 73.44 H new ATOM 0 HB3 LYS A 8 -7.249 -2.879 6.020 1.00 73.44 H new ATOM 0 HG2 LYS A 8 -7.532 -0.953 7.315 1.00 75.04 H new ATOM 0 HG3 LYS A 8 -7.648 -0.306 5.691 1.00 75.04 H new ATOM 0 HD2 LYS A 8 -10.129 -0.333 5.836 1.00 2.51 H new ATOM 0 HD3 LYS A 8 -10.043 -1.037 7.438 1.00 2.51 H new ATOM 0 HE2 LYS A 8 -8.793 1.038 8.215 1.00 43.01 H new ATOM 0 HE3 LYS A 8 -9.062 1.741 6.633 1.00 43.01 H new ATOM 0 HZ1 LYS A 8 -10.985 2.467 7.459 1.00 63.10 H new ATOM 0 HZ2 LYS A 8 -11.546 0.866 7.393 1.00 63.10 H new ATOM 0 HZ3 LYS A 8 -10.880 1.474 8.832 1.00 63.10 H new ATOM 127 N ARG A 9 -8.991 -4.912 3.912 1.00 62.31 N ATOM 128 CA ARG A 9 -8.740 -6.283 3.396 1.00 54.25 C ATOM 129 C ARG A 9 -8.470 -6.253 1.879 1.00 43.15 C ATOM 130 O ARG A 9 -7.732 -7.086 1.348 1.00 34.21 O ATOM 131 CB ARG A 9 -9.950 -7.215 3.693 1.00 34.54 C ATOM 132 CG ARG A 9 -10.338 -7.292 5.182 1.00 22.42 C ATOM 133 CD ARG A 9 -11.518 -8.250 5.439 1.00 14.41 C ATOM 134 NE ARG A 9 -11.842 -8.350 6.868 1.00 52.13 N ATOM 135 CZ ARG A 9 -12.461 -9.387 7.458 1.00 13.11 C ATOM 136 NH1 ARG A 9 -12.838 -10.463 6.756 1.00 62.01 N ATOM 137 NH2 ARG A 9 -12.708 -9.335 8.756 1.00 53.44 N ATOM 0 H ARG A 9 -9.906 -4.801 4.349 1.00 62.31 H new ATOM 0 HA ARG A 9 -7.859 -6.674 3.905 1.00 54.25 H new ATOM 0 HB2 ARG A 9 -10.811 -6.867 3.122 1.00 34.54 H new ATOM 0 HB3 ARG A 9 -9.717 -8.219 3.338 1.00 34.54 H new ATOM 0 HG2 ARG A 9 -9.475 -7.620 5.762 1.00 22.42 H new ATOM 0 HG3 ARG A 9 -10.600 -6.295 5.537 1.00 22.42 H new ATOM 0 HD2 ARG A 9 -12.394 -7.902 4.892 1.00 14.41 H new ATOM 0 HD3 ARG A 9 -11.273 -9.239 5.052 1.00 14.41 H new ATOM 0 HE ARG A 9 -11.575 -7.566 7.463 1.00 52.13 H new ATOM 0 HH11 ARG A 9 -12.657 -10.507 5.753 1.00 62.01 H new ATOM 0 HH12 ARG A 9 -13.306 -11.239 7.224 1.00 62.01 H new ATOM 0 HH21 ARG A 9 -12.430 -8.516 9.296 1.00 53.44 H new ATOM 0 HH22 ARG A 9 -13.177 -10.114 9.218 1.00 53.44 H new ATOM 151 N GLN A 10 -9.105 -5.282 1.198 1.00 32.31 N ATOM 152 CA GLN A 10 -8.879 -5.018 -0.235 1.00 35.25 C ATOM 153 C GLN A 10 -7.622 -4.140 -0.470 1.00 60.34 C ATOM 154 O GLN A 10 -6.780 -4.491 -1.276 1.00 64.44 O ATOM 155 CB GLN A 10 -10.133 -4.340 -0.852 1.00 61.13 C ATOM 156 CG GLN A 10 -11.444 -5.121 -0.649 1.00 64.33 C ATOM 157 CD GLN A 10 -12.605 -4.556 -1.462 1.00 43.24 C ATOM 158 OE1 GLN A 10 -12.827 -4.958 -2.604 1.00 33.42 O ATOM 159 NE2 GLN A 10 -13.347 -3.619 -0.896 1.00 31.20 N ATOM 0 H GLN A 10 -9.789 -4.658 1.626 1.00 32.31 H new ATOM 0 HA GLN A 10 -8.704 -5.975 -0.727 1.00 35.25 H new ATOM 0 HB2 GLN A 10 -10.245 -3.347 -0.417 1.00 61.13 H new ATOM 0 HB3 GLN A 10 -9.968 -4.203 -1.921 1.00 61.13 H new ATOM 0 HG2 GLN A 10 -11.286 -6.163 -0.926 1.00 64.33 H new ATOM 0 HG3 GLN A 10 -11.708 -5.109 0.408 1.00 64.33 H new ATOM 0 HE21 GLN A 10 -13.138 -3.307 0.052 1.00 31.20 H new ATOM 0 HE22 GLN A 10 -14.128 -3.209 -1.408 1.00 31.20 H new ATOM 168 N VAL A 11 -7.488 -3.035 0.286 1.00 32.11 N ATOM 169 CA VAL A 11 -6.535 -1.940 -0.016 1.00 54.24 C ATOM 170 C VAL A 11 -5.085 -2.342 0.274 1.00 50.51 C ATOM 171 O VAL A 11 -4.210 -2.082 -0.548 1.00 21.11 O ATOM 172 CB VAL A 11 -6.885 -0.631 0.789 1.00 43.51 C ATOM 173 CG1 VAL A 11 -5.892 0.512 0.497 1.00 21.45 C ATOM 174 CG2 VAL A 11 -8.309 -0.164 0.477 1.00 13.31 C ATOM 0 H VAL A 11 -8.039 -2.871 1.129 1.00 32.11 H new ATOM 0 HA VAL A 11 -6.631 -1.739 -1.083 1.00 54.24 H new ATOM 0 HB VAL A 11 -6.810 -0.883 1.847 1.00 43.51 H new ATOM 0 HG11 VAL A 11 -6.172 1.394 1.073 1.00 21.45 H new ATOM 0 HG12 VAL A 11 -4.886 0.200 0.777 1.00 21.45 H new ATOM 0 HG13 VAL A 11 -5.915 0.751 -0.566 1.00 21.45 H new ATOM 0 HG21 VAL A 11 -8.528 0.741 1.044 1.00 13.31 H new ATOM 0 HG22 VAL A 11 -8.398 0.046 -0.589 1.00 13.31 H new ATOM 0 HG23 VAL A 11 -9.017 -0.945 0.753 1.00 13.31 H new ATOM 184 N LYS A 12 -4.842 -2.973 1.441 1.00 51.45 N ATOM 185 CA LYS A 12 -3.490 -3.417 1.830 1.00 61.51 C ATOM 186 C LYS A 12 -3.050 -4.588 0.925 1.00 14.45 C ATOM 187 O LYS A 12 -1.855 -4.800 0.714 1.00 31.14 O ATOM 188 CB LYS A 12 -3.431 -3.845 3.323 1.00 11.23 C ATOM 189 CG LYS A 12 -4.111 -2.873 4.315 1.00 13.13 C ATOM 190 CD LYS A 12 -3.947 -3.305 5.796 1.00 34.55 C ATOM 191 CE LYS A 12 -4.309 -4.773 6.074 1.00 22.15 C ATOM 192 NZ LYS A 12 -5.719 -5.090 5.740 1.00 62.13 N ATOM 0 H LYS A 12 -5.564 -3.186 2.129 1.00 51.45 H new ATOM 0 HA LYS A 12 -2.809 -2.576 1.703 1.00 61.51 H new ATOM 0 HB2 LYS A 12 -3.898 -4.825 3.422 1.00 11.23 H new ATOM 0 HB3 LYS A 12 -2.386 -3.959 3.610 1.00 11.23 H new ATOM 0 HG2 LYS A 12 -3.690 -1.876 4.184 1.00 13.13 H new ATOM 0 HG3 LYS A 12 -5.173 -2.804 4.078 1.00 13.13 H new ATOM 0 HD2 LYS A 12 -2.914 -3.135 6.099 1.00 34.55 H new ATOM 0 HD3 LYS A 12 -4.572 -2.665 6.420 1.00 34.55 H new ATOM 0 HE2 LYS A 12 -3.649 -5.421 5.497 1.00 22.15 H new ATOM 0 HE3 LYS A 12 -4.131 -4.993 7.127 1.00 22.15 H new ATOM 0 HZ1 LYS A 12 -5.835 -6.121 5.668 1.00 62.13 H new ATOM 0 HZ2 LYS A 12 -6.344 -4.722 6.486 1.00 62.13 H new ATOM 0 HZ3 LYS A 12 -5.968 -4.649 4.832 1.00 62.13 H new ATOM 206 N GLN A 13 -4.049 -5.327 0.395 1.00 32.02 N ATOM 207 CA GLN A 13 -3.846 -6.435 -0.541 1.00 63.41 C ATOM 208 C GLN A 13 -3.402 -5.899 -1.917 1.00 24.11 C ATOM 209 O GLN A 13 -2.468 -6.426 -2.514 1.00 63.24 O ATOM 210 CB GLN A 13 -5.162 -7.243 -0.648 1.00 2.32 C ATOM 211 CG GLN A 13 -5.202 -8.324 -1.734 1.00 13.21 C ATOM 212 CD GLN A 13 -6.575 -8.974 -1.847 1.00 43.31 C ATOM 213 OE1 GLN A 13 -6.854 -9.999 -1.233 1.00 34.23 O ATOM 214 NE2 GLN A 13 -7.466 -8.341 -2.582 1.00 11.10 N ATOM 0 H GLN A 13 -5.031 -5.161 0.614 1.00 32.02 H new ATOM 0 HA GLN A 13 -3.056 -7.092 -0.177 1.00 63.41 H new ATOM 0 HB2 GLN A 13 -5.353 -7.717 0.315 1.00 2.32 H new ATOM 0 HB3 GLN A 13 -5.980 -6.545 -0.828 1.00 2.32 H new ATOM 0 HG2 GLN A 13 -4.930 -7.883 -2.693 1.00 13.21 H new ATOM 0 HG3 GLN A 13 -4.457 -9.088 -1.512 1.00 13.21 H new ATOM 0 HE21 GLN A 13 -7.204 -7.491 -3.081 1.00 11.10 H new ATOM 0 HE22 GLN A 13 -8.418 -8.701 -2.652 1.00 11.10 H new ATOM 223 N VAL A 14 -4.075 -4.837 -2.396 1.00 43.04 N ATOM 224 CA VAL A 14 -3.691 -4.139 -3.635 1.00 63.01 C ATOM 225 C VAL A 14 -2.279 -3.562 -3.462 1.00 40.02 C ATOM 226 O VAL A 14 -1.402 -3.817 -4.273 1.00 4.11 O ATOM 227 CB VAL A 14 -4.722 -2.991 -3.992 1.00 43.32 C ATOM 228 CG1 VAL A 14 -4.270 -2.160 -5.215 1.00 12.22 C ATOM 229 CG2 VAL A 14 -6.140 -3.565 -4.239 1.00 52.22 C ATOM 0 H VAL A 14 -4.896 -4.441 -1.938 1.00 43.04 H new ATOM 0 HA VAL A 14 -3.700 -4.850 -4.461 1.00 63.01 H new ATOM 0 HB VAL A 14 -4.756 -2.327 -3.129 1.00 43.32 H new ATOM 0 HG11 VAL A 14 -5.008 -1.385 -5.422 1.00 12.22 H new ATOM 0 HG12 VAL A 14 -3.307 -1.696 -5.004 1.00 12.22 H new ATOM 0 HG13 VAL A 14 -4.176 -2.812 -6.083 1.00 12.22 H new ATOM 0 HG21 VAL A 14 -6.824 -2.752 -4.482 1.00 52.22 H new ATOM 0 HG22 VAL A 14 -6.107 -4.272 -5.068 1.00 52.22 H new ATOM 0 HG23 VAL A 14 -6.487 -4.076 -3.341 1.00 52.22 H new ATOM 239 N ALA A 15 -2.077 -2.882 -2.323 1.00 63.30 N ATOM 240 CA ALA A 15 -0.848 -2.152 -1.999 1.00 64.41 C ATOM 241 C ALA A 15 0.376 -3.078 -1.926 1.00 34.01 C ATOM 242 O ALA A 15 1.457 -2.709 -2.402 1.00 75.24 O ATOM 243 CB ALA A 15 -1.040 -1.387 -0.681 1.00 72.21 C ATOM 0 H ALA A 15 -2.781 -2.825 -1.587 1.00 63.30 H new ATOM 0 HA ALA A 15 -0.652 -1.444 -2.804 1.00 64.41 H new ATOM 0 HB1 ALA A 15 -0.126 -0.844 -0.439 1.00 72.21 H new ATOM 0 HB2 ALA A 15 -1.864 -0.682 -0.786 1.00 72.21 H new ATOM 0 HB3 ALA A 15 -1.266 -2.092 0.119 1.00 72.21 H new ATOM 249 N LYS A 16 0.194 -4.289 -1.346 1.00 73.54 N ATOM 250 CA LYS A 16 1.288 -5.259 -1.208 1.00 0.14 C ATOM 251 C LYS A 16 1.676 -5.823 -2.583 1.00 71.34 C ATOM 252 O LYS A 16 2.856 -6.021 -2.847 1.00 5.22 O ATOM 253 CB LYS A 16 0.941 -6.406 -0.209 1.00 54.35 C ATOM 254 CG LYS A 16 -0.085 -7.444 -0.716 1.00 74.24 C ATOM 255 CD LYS A 16 -0.257 -8.659 0.226 1.00 45.30 C ATOM 256 CE LYS A 16 1.033 -9.488 0.370 1.00 2.10 C ATOM 257 NZ LYS A 16 0.800 -10.752 1.127 1.00 63.21 N ATOM 0 H LYS A 16 -0.699 -4.609 -0.970 1.00 73.54 H new ATOM 0 HA LYS A 16 2.144 -4.730 -0.790 1.00 0.14 H new ATOM 0 HB2 LYS A 16 1.862 -6.928 0.051 1.00 54.35 H new ATOM 0 HB3 LYS A 16 0.557 -5.961 0.709 1.00 54.35 H new ATOM 0 HG2 LYS A 16 -1.051 -6.955 -0.844 1.00 74.24 H new ATOM 0 HG3 LYS A 16 0.225 -7.798 -1.699 1.00 74.24 H new ATOM 0 HD2 LYS A 16 -0.571 -8.309 1.210 1.00 45.30 H new ATOM 0 HD3 LYS A 16 -1.054 -9.298 -0.154 1.00 45.30 H new ATOM 0 HE2 LYS A 16 1.425 -9.724 -0.619 1.00 2.10 H new ATOM 0 HE3 LYS A 16 1.791 -8.894 0.880 1.00 2.10 H new ATOM 0 HZ1 LYS A 16 1.692 -11.281 1.202 1.00 63.21 H new ATOM 0 HZ2 LYS A 16 0.450 -10.526 2.080 1.00 63.21 H new ATOM 0 HZ3 LYS A 16 0.095 -11.331 0.627 1.00 63.21 H new ATOM 271 N GLU A 17 0.669 -6.056 -3.458 1.00 23.33 N ATOM 272 CA GLU A 17 0.900 -6.550 -4.822 1.00 25.13 C ATOM 273 C GLU A 17 1.601 -5.482 -5.672 1.00 23.13 C ATOM 274 O GLU A 17 2.424 -5.811 -6.521 1.00 54.33 O ATOM 275 CB GLU A 17 -0.431 -6.969 -5.489 1.00 21.03 C ATOM 276 CG GLU A 17 -1.170 -8.125 -4.794 1.00 23.14 C ATOM 277 CD GLU A 17 -0.347 -9.428 -4.698 1.00 34.01 C ATOM 278 OE1 GLU A 17 -0.265 -10.159 -5.704 1.00 52.51 O ATOM 279 OE2 GLU A 17 0.211 -9.724 -3.616 1.00 74.50 O ATOM 0 H GLU A 17 -0.315 -5.906 -3.234 1.00 23.33 H new ATOM 0 HA GLU A 17 1.545 -7.426 -4.757 1.00 25.13 H new ATOM 0 HB2 GLU A 17 -1.092 -6.103 -5.522 1.00 21.03 H new ATOM 0 HB3 GLU A 17 -0.229 -7.255 -6.521 1.00 21.03 H new ATOM 0 HG2 GLU A 17 -1.452 -7.811 -3.789 1.00 23.14 H new ATOM 0 HG3 GLU A 17 -2.094 -8.330 -5.335 1.00 23.14 H new ATOM 286 N LYS A 18 1.267 -4.201 -5.422 1.00 22.30 N ATOM 287 CA LYS A 18 1.910 -3.061 -6.093 1.00 2.22 C ATOM 288 C LYS A 18 3.405 -2.988 -5.735 1.00 44.51 C ATOM 289 O LYS A 18 4.231 -2.568 -6.550 1.00 13.04 O ATOM 290 CB LYS A 18 1.190 -1.739 -5.720 1.00 44.04 C ATOM 291 CG LYS A 18 -0.269 -1.633 -6.211 1.00 70.33 C ATOM 292 CD LYS A 18 -0.436 -1.862 -7.733 1.00 43.14 C ATOM 293 CE LYS A 18 0.311 -0.828 -8.583 1.00 1.31 C ATOM 294 NZ LYS A 18 0.149 -1.101 -10.030 1.00 24.32 N ATOM 0 H LYS A 18 0.547 -3.931 -4.752 1.00 22.30 H new ATOM 0 HA LYS A 18 1.829 -3.206 -7.170 1.00 2.22 H new ATOM 0 HB2 LYS A 18 1.202 -1.629 -4.636 1.00 44.04 H new ATOM 0 HB3 LYS A 18 1.758 -0.904 -6.131 1.00 44.04 H new ATOM 0 HG2 LYS A 18 -0.876 -2.362 -5.675 1.00 70.33 H new ATOM 0 HG3 LYS A 18 -0.657 -0.647 -5.957 1.00 70.33 H new ATOM 0 HD2 LYS A 18 -0.076 -2.859 -7.986 1.00 43.14 H new ATOM 0 HD3 LYS A 18 -1.496 -1.832 -7.985 1.00 43.14 H new ATOM 0 HE2 LYS A 18 -0.062 0.171 -8.355 1.00 1.31 H new ATOM 0 HE3 LYS A 18 1.370 -0.839 -8.325 1.00 1.31 H new ATOM 0 HZ1 LYS A 18 0.666 -0.384 -10.578 1.00 24.32 H new ATOM 0 HZ2 LYS A 18 0.527 -2.044 -10.250 1.00 24.32 H new ATOM 0 HZ3 LYS A 18 -0.860 -1.066 -10.279 1.00 24.32 H new ATOM 308 N LEU A 19 3.729 -3.399 -4.499 1.00 12.01 N ATOM 309 CA LEU A 19 5.113 -3.506 -4.022 1.00 63.21 C ATOM 310 C LEU A 19 5.813 -4.752 -4.594 1.00 73.31 C ATOM 311 O LEU A 19 6.999 -4.705 -4.931 1.00 3.34 O ATOM 312 CB LEU A 19 5.147 -3.498 -2.472 1.00 45.33 C ATOM 313 CG LEU A 19 4.701 -2.165 -1.794 1.00 72.55 C ATOM 314 CD1 LEU A 19 4.986 -2.184 -0.284 1.00 71.21 C ATOM 315 CD2 LEU A 19 5.357 -0.945 -2.468 1.00 24.44 C ATOM 0 H LEU A 19 3.035 -3.667 -3.801 1.00 12.01 H new ATOM 0 HA LEU A 19 5.666 -2.638 -4.382 1.00 63.21 H new ATOM 0 HB2 LEU A 19 4.507 -4.302 -2.108 1.00 45.33 H new ATOM 0 HB3 LEU A 19 6.162 -3.728 -2.148 1.00 45.33 H new ATOM 0 HG LEU A 19 3.623 -2.075 -1.927 1.00 72.55 H new ATOM 0 HD11 LEU A 19 4.664 -1.242 0.159 1.00 71.21 H new ATOM 0 HD12 LEU A 19 4.442 -3.007 0.179 1.00 71.21 H new ATOM 0 HD13 LEU A 19 6.055 -2.317 -0.117 1.00 71.21 H new ATOM 0 HD21 LEU A 19 5.025 -0.033 -1.972 1.00 24.44 H new ATOM 0 HD22 LEU A 19 6.441 -1.026 -2.391 1.00 24.44 H new ATOM 0 HD23 LEU A 19 5.069 -0.911 -3.519 1.00 24.44 H new ATOM 327 N LEU A 20 5.058 -5.854 -4.725 1.00 42.41 N ATOM 328 CA LEU A 20 5.575 -7.131 -5.255 1.00 63.43 C ATOM 329 C LEU A 20 5.794 -7.066 -6.783 1.00 62.50 C ATOM 330 O LEU A 20 6.474 -7.919 -7.354 1.00 43.42 O ATOM 331 CB LEU A 20 4.635 -8.292 -4.853 1.00 62.54 C ATOM 332 CG LEU A 20 4.582 -8.602 -3.317 1.00 64.13 C ATOM 333 CD1 LEU A 20 3.514 -9.663 -2.985 1.00 22.32 C ATOM 334 CD2 LEU A 20 5.971 -9.010 -2.778 1.00 13.34 C ATOM 0 H LEU A 20 4.072 -5.888 -4.467 1.00 42.41 H new ATOM 0 HA LEU A 20 6.553 -7.319 -4.812 1.00 63.43 H new ATOM 0 HB2 LEU A 20 3.627 -8.058 -5.196 1.00 62.54 H new ATOM 0 HB3 LEU A 20 4.950 -9.193 -5.379 1.00 62.54 H new ATOM 0 HG LEU A 20 4.289 -7.682 -2.811 1.00 64.13 H new ATOM 0 HD11 LEU A 20 3.508 -9.850 -1.911 1.00 22.32 H new ATOM 0 HD12 LEU A 20 2.534 -9.302 -3.295 1.00 22.32 H new ATOM 0 HD13 LEU A 20 3.744 -10.588 -3.513 1.00 22.32 H new ATOM 0 HD21 LEU A 20 5.900 -9.218 -1.710 1.00 13.34 H new ATOM 0 HD22 LEU A 20 6.316 -9.903 -3.300 1.00 13.34 H new ATOM 0 HD23 LEU A 20 6.678 -8.197 -2.943 1.00 13.34 H new ATOM 346 N GLU A 21 5.190 -6.053 -7.435 1.00 43.44 N ATOM 347 CA GLU A 21 5.504 -5.688 -8.832 1.00 2.15 C ATOM 348 C GLU A 21 6.976 -5.258 -8.959 1.00 1.43 C ATOM 349 O GLU A 21 7.652 -5.564 -9.942 1.00 43.11 O ATOM 350 CB GLU A 21 4.595 -4.517 -9.296 1.00 32.20 C ATOM 351 CG GLU A 21 3.132 -4.899 -9.562 1.00 31.14 C ATOM 352 CD GLU A 21 2.990 -5.939 -10.689 1.00 55.30 C ATOM 353 OE1 GLU A 21 3.221 -5.581 -11.862 1.00 41.03 O ATOM 354 OE2 GLU A 21 2.638 -7.107 -10.415 1.00 3.41 O ATOM 0 H GLU A 21 4.472 -5.466 -7.010 1.00 43.44 H new ATOM 0 HA GLU A 21 5.327 -6.562 -9.459 1.00 2.15 H new ATOM 0 HB2 GLU A 21 4.619 -3.735 -8.537 1.00 32.20 H new ATOM 0 HB3 GLU A 21 5.015 -4.090 -10.207 1.00 32.20 H new ATOM 0 HG2 GLU A 21 2.692 -5.296 -8.648 1.00 31.14 H new ATOM 0 HG3 GLU A 21 2.568 -4.004 -9.825 1.00 31.14 H new ATOM 361 N GLN A 22 7.426 -4.521 -7.941 1.00 64.14 N ATOM 362 CA GLN A 22 8.763 -3.919 -7.886 1.00 23.33 C ATOM 363 C GLN A 22 9.798 -4.924 -7.351 1.00 32.33 C ATOM 364 O GLN A 22 10.947 -4.934 -7.798 1.00 64.14 O ATOM 365 CB GLN A 22 8.682 -2.658 -6.985 1.00 14.04 C ATOM 366 CG GLN A 22 7.671 -1.603 -7.489 1.00 25.44 C ATOM 367 CD GLN A 22 7.399 -0.492 -6.481 1.00 2.24 C ATOM 368 OE1 GLN A 22 8.067 0.536 -6.457 1.00 13.00 O ATOM 369 NE2 GLN A 22 6.411 -0.697 -5.635 1.00 0.42 N ATOM 0 H GLN A 22 6.862 -4.321 -7.115 1.00 64.14 H new ATOM 0 HA GLN A 22 9.090 -3.637 -8.887 1.00 23.33 H new ATOM 0 HB2 GLN A 22 8.406 -2.960 -5.975 1.00 14.04 H new ATOM 0 HB3 GLN A 22 9.670 -2.202 -6.923 1.00 14.04 H new ATOM 0 HG2 GLN A 22 8.048 -1.162 -8.412 1.00 25.44 H new ATOM 0 HG3 GLN A 22 6.732 -2.099 -7.734 1.00 25.44 H new ATOM 0 HE21 GLN A 22 5.873 -1.562 -5.679 1.00 0.42 H new ATOM 0 HE22 GLN A 22 6.184 0.010 -4.935 1.00 0.42 H new ATOM 378 N SER A 23 9.372 -5.795 -6.416 1.00 35.13 N ATOM 379 CA SER A 23 10.261 -6.777 -5.772 1.00 50.13 C ATOM 380 C SER A 23 9.421 -8.003 -5.314 1.00 42.40 C ATOM 381 O SER A 23 8.872 -8.008 -4.202 1.00 51.22 O ATOM 382 CB SER A 23 11.027 -6.114 -4.596 1.00 31.30 C ATOM 383 OG SER A 23 12.055 -6.949 -4.092 1.00 71.31 O ATOM 0 H SER A 23 8.407 -5.837 -6.088 1.00 35.13 H new ATOM 0 HA SER A 23 11.010 -7.129 -6.481 1.00 50.13 H new ATOM 0 HB2 SER A 23 11.458 -5.171 -4.931 1.00 31.30 H new ATOM 0 HB3 SER A 23 10.327 -5.878 -3.795 1.00 31.30 H new ATOM 0 HG SER A 23 12.614 -6.440 -3.468 1.00 71.31 H new ATOM 389 N PRO A 24 9.245 -9.036 -6.218 1.00 64.22 N ATOM 390 CA PRO A 24 8.397 -10.237 -5.942 1.00 61.32 C ATOM 391 C PRO A 24 8.883 -11.102 -4.756 1.00 72.30 C ATOM 392 O PRO A 24 8.087 -11.496 -3.901 1.00 32.04 O ATOM 393 CB PRO A 24 8.463 -11.044 -7.278 1.00 3.51 C ATOM 394 CG PRO A 24 8.910 -10.049 -8.315 1.00 2.02 C ATOM 395 CD PRO A 24 9.822 -9.085 -7.592 1.00 0.44 C ATOM 0 HA PRO A 24 7.391 -9.940 -5.645 1.00 61.32 H new ATOM 0 HB2 PRO A 24 9.163 -11.876 -7.202 1.00 3.51 H new ATOM 0 HB3 PRO A 24 7.491 -11.468 -7.531 1.00 3.51 H new ATOM 0 HG2 PRO A 24 9.433 -10.544 -9.133 1.00 2.02 H new ATOM 0 HG3 PRO A 24 8.057 -9.529 -8.751 1.00 2.02 H new ATOM 0 HD2 PRO A 24 10.854 -9.436 -7.583 1.00 0.44 H new ATOM 0 HD3 PRO A 24 9.824 -8.102 -8.063 1.00 0.44 H new ATOM 403 N ASN A 25 10.200 -11.356 -4.699 1.00 1.24 N ATOM 404 CA ASN A 25 10.808 -12.306 -3.731 1.00 62.04 C ATOM 405 C ASN A 25 11.053 -11.653 -2.358 1.00 74.23 C ATOM 406 O ASN A 25 11.497 -12.328 -1.423 1.00 3.21 O ATOM 407 CB ASN A 25 12.131 -12.881 -4.306 1.00 25.14 C ATOM 408 CG ASN A 25 11.910 -13.653 -5.610 1.00 15.33 C ATOM 409 OD1 ASN A 25 11.970 -13.083 -6.699 1.00 23.31 O ATOM 410 ND2 ASN A 25 11.637 -14.947 -5.513 1.00 44.03 N ATOM 0 H ASN A 25 10.879 -10.914 -5.318 1.00 1.24 H new ATOM 0 HA ASN A 25 10.100 -13.121 -3.578 1.00 62.04 H new ATOM 0 HB2 ASN A 25 12.832 -12.066 -4.483 1.00 25.14 H new ATOM 0 HB3 ASN A 25 12.589 -13.541 -3.569 1.00 25.14 H new ATOM 0 HD21 ASN A 25 11.470 -15.498 -6.355 1.00 44.03 H new ATOM 0 HD22 ASN A 25 11.594 -15.392 -4.596 1.00 44.03 H new ATOM 417 N SER A 26 10.756 -10.345 -2.241 1.00 11.32 N ATOM 418 CA SER A 26 10.894 -9.601 -0.973 1.00 71.31 C ATOM 419 C SER A 26 9.654 -9.786 -0.081 1.00 14.20 C ATOM 420 O SER A 26 8.569 -10.134 -0.569 1.00 63.12 O ATOM 421 CB SER A 26 11.115 -8.101 -1.253 1.00 61.42 C ATOM 422 OG SER A 26 11.272 -7.367 -0.048 1.00 65.04 O ATOM 0 H SER A 26 10.416 -9.777 -3.017 1.00 11.32 H new ATOM 0 HA SER A 26 11.760 -10.001 -0.445 1.00 71.31 H new ATOM 0 HB2 SER A 26 11.999 -7.972 -1.877 1.00 61.42 H new ATOM 0 HB3 SER A 26 10.268 -7.705 -1.814 1.00 61.42 H new ATOM 0 HG SER A 26 12.207 -7.089 0.046 1.00 65.04 H new ATOM 428 N LYS A 27 9.829 -9.554 1.232 1.00 54.51 N ATOM 429 CA LYS A 27 8.746 -9.634 2.220 1.00 62.24 C ATOM 430 C LYS A 27 8.106 -8.250 2.406 1.00 70.12 C ATOM 431 O LYS A 27 8.820 -7.245 2.527 1.00 5.30 O ATOM 432 CB LYS A 27 9.293 -10.172 3.570 1.00 62.35 C ATOM 433 CG LYS A 27 8.239 -10.295 4.704 1.00 64.51 C ATOM 434 CD LYS A 27 7.056 -11.255 4.380 1.00 22.25 C ATOM 435 CE LYS A 27 7.403 -12.758 4.489 1.00 12.21 C ATOM 436 NZ LYS A 27 8.347 -13.225 3.438 1.00 2.04 N ATOM 0 H LYS A 27 10.732 -9.305 1.636 1.00 54.51 H new ATOM 0 HA LYS A 27 7.983 -10.324 1.860 1.00 62.24 H new ATOM 0 HB2 LYS A 27 9.737 -11.153 3.400 1.00 62.35 H new ATOM 0 HB3 LYS A 27 10.093 -9.514 3.908 1.00 62.35 H new ATOM 0 HG2 LYS A 27 8.736 -10.643 5.610 1.00 64.51 H new ATOM 0 HG3 LYS A 27 7.839 -9.305 4.921 1.00 64.51 H new ATOM 0 HD2 LYS A 27 6.230 -11.035 5.057 1.00 22.25 H new ATOM 0 HD3 LYS A 27 6.703 -11.049 3.370 1.00 22.25 H new ATOM 0 HE2 LYS A 27 7.838 -12.953 5.469 1.00 12.21 H new ATOM 0 HE3 LYS A 27 6.484 -13.341 4.426 1.00 12.21 H new ATOM 0 HZ1 LYS A 27 8.088 -14.187 3.141 1.00 2.04 H new ATOM 0 HZ2 LYS A 27 8.299 -12.586 2.619 1.00 2.04 H new ATOM 0 HZ3 LYS A 27 9.315 -13.229 3.818 1.00 2.04 H new ATOM 450 N VAL A 28 6.758 -8.209 2.410 1.00 2.53 N ATOM 451 CA VAL A 28 5.984 -6.980 2.635 1.00 1.11 C ATOM 452 C VAL A 28 5.135 -7.119 3.927 1.00 13.52 C ATOM 453 O VAL A 28 4.226 -7.954 3.995 1.00 50.21 O ATOM 454 CB VAL A 28 5.059 -6.652 1.404 1.00 32.02 C ATOM 455 CG1 VAL A 28 4.231 -5.373 1.653 1.00 60.43 C ATOM 456 CG2 VAL A 28 5.881 -6.525 0.094 1.00 65.23 C ATOM 0 H VAL A 28 6.177 -9.033 2.256 1.00 2.53 H new ATOM 0 HA VAL A 28 6.684 -6.153 2.753 1.00 1.11 H new ATOM 0 HB VAL A 28 4.368 -7.487 1.286 1.00 32.02 H new ATOM 0 HG11 VAL A 28 3.602 -5.172 0.786 1.00 60.43 H new ATOM 0 HG12 VAL A 28 3.602 -5.512 2.533 1.00 60.43 H new ATOM 0 HG13 VAL A 28 4.903 -4.531 1.817 1.00 60.43 H new ATOM 0 HG21 VAL A 28 5.211 -6.298 -0.735 1.00 65.23 H new ATOM 0 HG22 VAL A 28 6.612 -5.723 0.199 1.00 65.23 H new ATOM 0 HG23 VAL A 28 6.398 -7.464 -0.104 1.00 65.23 H new ATOM 466 N GLN A 29 5.463 -6.305 4.947 1.00 54.05 N ATOM 467 CA GLN A 29 4.680 -6.169 6.194 1.00 60.01 C ATOM 468 C GLN A 29 4.004 -4.794 6.213 1.00 51.22 C ATOM 469 O GLN A 29 4.692 -3.786 6.123 1.00 5.23 O ATOM 470 CB GLN A 29 5.622 -6.320 7.430 1.00 10.53 C ATOM 471 CG GLN A 29 6.090 -7.758 7.719 1.00 50.24 C ATOM 472 CD GLN A 29 4.929 -8.679 8.101 1.00 60.42 C ATOM 473 OE1 GLN A 29 4.321 -9.330 7.246 1.00 13.32 O ATOM 474 NE2 GLN A 29 4.598 -8.727 9.387 1.00 54.04 N ATOM 0 H GLN A 29 6.293 -5.712 4.930 1.00 54.05 H new ATOM 0 HA GLN A 29 3.919 -6.948 6.237 1.00 60.01 H new ATOM 0 HB2 GLN A 29 6.500 -5.692 7.278 1.00 10.53 H new ATOM 0 HB3 GLN A 29 5.105 -5.938 8.311 1.00 10.53 H new ATOM 0 HG2 GLN A 29 6.594 -8.158 6.839 1.00 50.24 H new ATOM 0 HG3 GLN A 29 6.822 -7.745 8.527 1.00 50.24 H new ATOM 0 HE21 GLN A 29 5.120 -8.177 10.069 1.00 54.04 H new ATOM 0 HE22 GLN A 29 3.822 -9.314 9.692 1.00 54.04 H new ATOM 483 N VAL A 30 2.663 -4.746 6.319 1.00 21.43 N ATOM 484 CA VAL A 30 1.938 -3.471 6.431 1.00 14.11 C ATOM 485 C VAL A 30 2.308 -2.791 7.767 1.00 75.32 C ATOM 486 O VAL A 30 2.047 -3.341 8.846 1.00 64.24 O ATOM 487 CB VAL A 30 0.388 -3.653 6.345 1.00 44.03 C ATOM 488 CG1 VAL A 30 -0.324 -2.284 6.454 1.00 33.14 C ATOM 489 CG2 VAL A 30 -0.014 -4.399 5.050 1.00 13.12 C ATOM 0 H VAL A 30 2.064 -5.572 6.329 1.00 21.43 H new ATOM 0 HA VAL A 30 2.236 -2.848 5.588 1.00 14.11 H new ATOM 0 HB VAL A 30 0.067 -4.267 7.186 1.00 44.03 H new ATOM 0 HG11 VAL A 30 -1.403 -2.429 6.392 1.00 33.14 H new ATOM 0 HG12 VAL A 30 -0.074 -1.819 7.408 1.00 33.14 H new ATOM 0 HG13 VAL A 30 0.003 -1.638 5.639 1.00 33.14 H new ATOM 0 HG21 VAL A 30 -1.098 -4.512 5.016 1.00 13.12 H new ATOM 0 HG22 VAL A 30 0.318 -3.828 4.183 1.00 13.12 H new ATOM 0 HG23 VAL A 30 0.454 -5.383 5.037 1.00 13.12 H new ATOM 499 N ARG A 31 2.944 -1.616 7.679 1.00 60.30 N ATOM 500 CA ARG A 31 3.469 -0.891 8.845 1.00 15.21 C ATOM 501 C ARG A 31 2.347 -0.063 9.510 1.00 34.00 C ATOM 502 O ARG A 31 2.118 -0.161 10.719 1.00 31.52 O ATOM 503 CB ARG A 31 4.663 0.021 8.415 1.00 25.41 C ATOM 504 CG ARG A 31 5.620 0.417 9.569 1.00 41.52 C ATOM 505 CD ARG A 31 6.374 -0.809 10.141 1.00 22.14 C ATOM 506 NE ARG A 31 7.154 -0.501 11.355 1.00 14.12 N ATOM 507 CZ ARG A 31 7.924 -1.387 12.021 1.00 41.34 C ATOM 508 NH1 ARG A 31 8.046 -2.643 11.604 1.00 45.52 N ATOM 509 NH2 ARG A 31 8.577 -1.003 13.100 1.00 21.25 N ATOM 0 H ARG A 31 3.110 -1.139 6.793 1.00 60.30 H new ATOM 0 HA ARG A 31 3.836 -1.610 9.577 1.00 15.21 H new ATOM 0 HB2 ARG A 31 5.237 -0.494 7.645 1.00 25.41 H new ATOM 0 HB3 ARG A 31 4.265 0.929 7.963 1.00 25.41 H new ATOM 0 HG2 ARG A 31 6.341 1.150 9.207 1.00 41.52 H new ATOM 0 HG3 ARG A 31 5.050 0.896 10.365 1.00 41.52 H new ATOM 0 HD2 ARG A 31 5.654 -1.595 10.370 1.00 22.14 H new ATOM 0 HD3 ARG A 31 7.044 -1.203 9.377 1.00 22.14 H new ATOM 0 HE ARG A 31 7.108 0.451 11.717 1.00 14.12 H new ATOM 0 HH11 ARG A 31 7.553 -2.953 10.767 1.00 45.52 H new ATOM 0 HH12 ARG A 31 8.633 -3.297 12.121 1.00 45.52 H new ATOM 0 HH21 ARG A 31 8.499 -0.040 13.428 1.00 21.25 H new ATOM 0 HH22 ARG A 31 9.160 -1.669 13.607 1.00 21.25 H new ATOM 523 N ARG A 32 1.657 0.744 8.688 1.00 51.21 N ATOM 524 CA ARG A 32 0.580 1.660 9.120 1.00 41.23 C ATOM 525 C ARG A 32 -0.493 1.758 8.015 1.00 64.01 C ATOM 526 O ARG A 32 -0.210 1.494 6.844 1.00 72.24 O ATOM 527 CB ARG A 32 1.159 3.078 9.425 1.00 11.03 C ATOM 528 CG ARG A 32 2.030 3.185 10.703 1.00 33.30 C ATOM 529 CD ARG A 32 2.708 4.561 10.855 1.00 44.44 C ATOM 530 NE ARG A 32 1.741 5.674 10.799 1.00 61.21 N ATOM 531 CZ ARG A 32 1.466 6.534 11.796 1.00 60.45 C ATOM 532 NH1 ARG A 32 2.083 6.443 12.977 1.00 43.21 N ATOM 533 NH2 ARG A 32 0.554 7.472 11.605 1.00 53.40 N ATOM 0 H ARG A 32 1.833 0.781 7.684 1.00 51.21 H new ATOM 0 HA ARG A 32 0.128 1.266 10.030 1.00 41.23 H new ATOM 0 HB2 ARG A 32 1.757 3.398 8.572 1.00 11.03 H new ATOM 0 HB3 ARG A 32 0.329 3.779 9.513 1.00 11.03 H new ATOM 0 HG2 ARG A 32 1.408 2.994 11.577 1.00 33.30 H new ATOM 0 HG3 ARG A 32 2.795 2.409 10.681 1.00 33.30 H new ATOM 0 HD2 ARG A 32 3.244 4.596 11.804 1.00 44.44 H new ATOM 0 HD3 ARG A 32 3.449 4.687 10.066 1.00 44.44 H new ATOM 0 HE ARG A 32 1.234 5.803 9.923 1.00 61.21 H new ATOM 0 HH11 ARG A 32 2.776 5.712 13.135 1.00 43.21 H new ATOM 0 HH12 ARG A 32 1.861 7.105 13.721 1.00 43.21 H new ATOM 0 HH21 ARG A 32 0.069 7.537 10.710 1.00 53.40 H new ATOM 0 HH22 ARG A 32 0.336 8.131 12.353 1.00 53.40 H new ATOM 547 N VAL A 33 -1.732 2.127 8.403 1.00 34.24 N ATOM 548 CA VAL A 33 -2.859 2.370 7.461 1.00 43.02 C ATOM 549 C VAL A 33 -3.541 3.699 7.834 1.00 5.20 C ATOM 550 O VAL A 33 -4.057 3.833 8.950 1.00 65.30 O ATOM 551 CB VAL A 33 -3.938 1.211 7.489 1.00 50.04 C ATOM 552 CG1 VAL A 33 -5.110 1.496 6.513 1.00 50.10 C ATOM 553 CG2 VAL A 33 -3.306 -0.158 7.179 1.00 32.15 C ATOM 0 H VAL A 33 -1.986 2.267 9.381 1.00 34.24 H new ATOM 0 HA VAL A 33 -2.444 2.406 6.454 1.00 43.02 H new ATOM 0 HB VAL A 33 -4.340 1.180 8.502 1.00 50.04 H new ATOM 0 HG11 VAL A 33 -5.830 0.679 6.560 1.00 50.10 H new ATOM 0 HG12 VAL A 33 -5.600 2.428 6.795 1.00 50.10 H new ATOM 0 HG13 VAL A 33 -4.725 1.582 5.497 1.00 50.10 H new ATOM 0 HG21 VAL A 33 -4.076 -0.929 7.207 1.00 32.15 H new ATOM 0 HG22 VAL A 33 -2.853 -0.134 6.188 1.00 32.15 H new ATOM 0 HG23 VAL A 33 -2.541 -0.382 7.922 1.00 32.15 H new ATOM 563 N GLN A 34 -3.521 4.686 6.920 1.00 65.22 N ATOM 564 CA GLN A 34 -4.136 6.015 7.147 1.00 72.43 C ATOM 565 C GLN A 34 -5.336 6.205 6.212 1.00 32.21 C ATOM 566 O GLN A 34 -5.217 6.018 5.010 1.00 24.32 O ATOM 567 CB GLN A 34 -3.091 7.161 6.960 1.00 74.31 C ATOM 568 CG GLN A 34 -2.098 7.323 8.137 1.00 64.32 C ATOM 569 CD GLN A 34 -1.113 6.166 8.324 1.00 12.25 C ATOM 570 OE1 GLN A 34 -0.747 5.832 9.451 1.00 11.51 O ATOM 571 NE2 GLN A 34 -0.620 5.590 7.234 1.00 20.50 N ATOM 0 H GLN A 34 -3.081 4.590 6.005 1.00 65.22 H new ATOM 0 HA GLN A 34 -4.488 6.061 8.178 1.00 72.43 H new ATOM 0 HB2 GLN A 34 -2.525 6.974 6.047 1.00 74.31 H new ATOM 0 HB3 GLN A 34 -3.623 8.101 6.818 1.00 74.31 H new ATOM 0 HG2 GLN A 34 -1.530 8.242 7.988 1.00 64.32 H new ATOM 0 HG3 GLN A 34 -2.668 7.446 9.058 1.00 64.32 H new ATOM 0 HE21 GLN A 34 -0.940 5.885 6.312 1.00 20.50 H new ATOM 0 HE22 GLN A 34 0.079 4.852 7.319 1.00 20.50 H new ATOM 580 N LYS A 35 -6.484 6.584 6.788 1.00 34.32 N ATOM 581 CA LYS A 35 -7.744 6.804 6.060 1.00 54.02 C ATOM 582 C LYS A 35 -8.039 8.316 6.024 1.00 33.40 C ATOM 583 O LYS A 35 -8.332 8.921 7.059 1.00 63.32 O ATOM 584 CB LYS A 35 -8.880 5.998 6.768 1.00 1.23 C ATOM 585 CG LYS A 35 -10.318 6.269 6.271 1.00 12.13 C ATOM 586 CD LYS A 35 -10.489 6.011 4.761 1.00 64.41 C ATOM 587 CE LYS A 35 -11.913 6.301 4.281 1.00 10.01 C ATOM 588 NZ LYS A 35 -12.360 7.663 4.683 1.00 73.20 N ATOM 0 H LYS A 35 -6.566 6.750 7.791 1.00 34.32 H new ATOM 0 HA LYS A 35 -7.675 6.452 5.031 1.00 54.02 H new ATOM 0 HB2 LYS A 35 -8.671 4.935 6.650 1.00 1.23 H new ATOM 0 HB3 LYS A 35 -8.840 6.214 7.836 1.00 1.23 H new ATOM 0 HG2 LYS A 35 -11.013 5.637 6.824 1.00 12.13 H new ATOM 0 HG3 LYS A 35 -10.584 7.303 6.490 1.00 12.13 H new ATOM 0 HD2 LYS A 35 -9.787 6.633 4.206 1.00 64.41 H new ATOM 0 HD3 LYS A 35 -10.238 4.973 4.541 1.00 64.41 H new ATOM 0 HE2 LYS A 35 -11.958 6.208 3.196 1.00 10.01 H new ATOM 0 HE3 LYS A 35 -12.595 5.557 4.693 1.00 10.01 H new ATOM 0 HZ1 LYS A 35 -13.019 7.590 5.484 1.00 73.20 H new ATOM 0 HZ2 LYS A 35 -11.535 8.230 4.964 1.00 73.20 H new ATOM 0 HZ3 LYS A 35 -12.839 8.122 3.882 1.00 73.20 H new ATOM 602 N GLN A 36 -7.919 8.924 4.829 1.00 3.13 N ATOM 603 CA GLN A 36 -8.124 10.374 4.629 1.00 62.32 C ATOM 604 C GLN A 36 -9.049 10.613 3.416 1.00 43.41 C ATOM 605 O GLN A 36 -8.621 10.488 2.259 1.00 42.53 O ATOM 606 CB GLN A 36 -6.749 11.094 4.447 1.00 33.44 C ATOM 607 CG GLN A 36 -5.852 11.087 5.707 1.00 70.34 C ATOM 608 CD GLN A 36 -6.455 11.878 6.876 1.00 62.13 C ATOM 609 OE1 GLN A 36 -7.150 12.880 6.689 1.00 40.12 O ATOM 610 NE2 GLN A 36 -6.216 11.426 8.092 1.00 41.31 N ATOM 0 H GLN A 36 -7.677 8.425 3.973 1.00 3.13 H new ATOM 0 HA GLN A 36 -8.607 10.795 5.511 1.00 62.32 H new ATOM 0 HB2 GLN A 36 -6.209 10.618 3.629 1.00 33.44 H new ATOM 0 HB3 GLN A 36 -6.930 12.127 4.151 1.00 33.44 H new ATOM 0 HG2 GLN A 36 -5.684 10.057 6.021 1.00 70.34 H new ATOM 0 HG3 GLN A 36 -4.878 11.507 5.455 1.00 70.34 H new ATOM 0 HE21 GLN A 36 -5.638 10.596 8.223 1.00 41.31 H new ATOM 0 HE22 GLN A 36 -6.609 11.907 8.901 1.00 41.31 H new ATOM 619 N GLY A 37 -10.332 10.944 3.705 1.00 74.12 N ATOM 620 CA GLY A 37 -11.347 11.182 2.677 1.00 13.01 C ATOM 621 C GLY A 37 -11.740 9.905 1.936 1.00 64.42 C ATOM 622 O GLY A 37 -12.502 9.096 2.451 1.00 21.32 O ATOM 0 H GLY A 37 -10.680 11.050 4.658 1.00 74.12 H new ATOM 0 HA2 GLY A 37 -12.233 11.617 3.140 1.00 13.01 H new ATOM 0 HA3 GLY A 37 -10.970 11.912 1.961 1.00 13.01 H new ATOM 626 N ASN A 38 -11.214 9.730 0.724 1.00 2.14 N ATOM 627 CA ASN A 38 -11.376 8.487 -0.067 1.00 61.04 C ATOM 628 C ASN A 38 -10.021 7.787 -0.213 1.00 75.12 C ATOM 629 O ASN A 38 -9.965 6.573 -0.428 1.00 52.52 O ATOM 630 CB ASN A 38 -11.999 8.787 -1.467 1.00 3.20 C ATOM 631 CG ASN A 38 -13.472 9.211 -1.420 1.00 2.33 C ATOM 632 OD1 ASN A 38 -13.943 9.808 -0.454 1.00 35.23 O ATOM 633 ND2 ASN A 38 -14.224 8.890 -2.460 1.00 50.35 N ATOM 0 H ASN A 38 -10.659 10.443 0.251 1.00 2.14 H new ATOM 0 HA ASN A 38 -12.062 7.825 0.462 1.00 61.04 H new ATOM 0 HB2 ASN A 38 -11.421 9.575 -1.949 1.00 3.20 H new ATOM 0 HB3 ASN A 38 -11.908 7.898 -2.091 1.00 3.20 H new ATOM 0 HD21 ASN A 38 -15.213 9.138 -2.470 1.00 50.35 H new ATOM 0 HD22 ASN A 38 -13.814 8.395 -3.252 1.00 50.35 H new ATOM 640 N THR A 39 -8.937 8.570 -0.078 1.00 65.21 N ATOM 641 CA THR A 39 -7.567 8.091 -0.263 1.00 12.43 C ATOM 642 C THR A 39 -7.034 7.463 1.044 1.00 51.05 C ATOM 643 O THR A 39 -6.752 8.170 2.023 1.00 51.11 O ATOM 644 CB THR A 39 -6.623 9.260 -0.700 1.00 43.31 C ATOM 645 OG1 THR A 39 -7.210 10.008 -1.788 1.00 62.22 O ATOM 646 CG2 THR A 39 -5.225 8.750 -1.120 1.00 35.33 C ATOM 0 H THR A 39 -8.993 9.559 0.164 1.00 65.21 H new ATOM 0 HA THR A 39 -7.580 7.335 -1.048 1.00 12.43 H new ATOM 0 HB THR A 39 -6.500 9.910 0.166 1.00 43.31 H new ATOM 0 HG1 THR A 39 -6.607 10.736 -2.047 1.00 62.22 H new ATOM 0 HG21 THR A 39 -4.603 9.595 -1.416 1.00 35.33 H new ATOM 0 HG22 THR A 39 -4.759 8.233 -0.281 1.00 35.33 H new ATOM 0 HG23 THR A 39 -5.326 8.062 -1.960 1.00 35.33 H new ATOM 654 N ILE A 40 -6.954 6.132 1.063 1.00 0.41 N ATOM 655 CA ILE A 40 -6.259 5.392 2.114 1.00 52.12 C ATOM 656 C ILE A 40 -4.757 5.296 1.763 1.00 3.44 C ATOM 657 O ILE A 40 -4.368 4.571 0.837 1.00 73.15 O ATOM 658 CB ILE A 40 -6.871 3.955 2.308 1.00 42.12 C ATOM 659 CG1 ILE A 40 -8.401 4.055 2.599 1.00 21.33 C ATOM 660 CG2 ILE A 40 -6.138 3.192 3.435 1.00 24.13 C ATOM 661 CD1 ILE A 40 -9.100 2.738 2.933 1.00 54.02 C ATOM 0 H ILE A 40 -7.371 5.536 0.348 1.00 0.41 H new ATOM 0 HA ILE A 40 -6.382 5.928 3.055 1.00 52.12 H new ATOM 0 HB ILE A 40 -6.734 3.392 1.385 1.00 42.12 H new ATOM 0 HG12 ILE A 40 -8.550 4.745 3.430 1.00 21.33 H new ATOM 0 HG13 ILE A 40 -8.890 4.494 1.729 1.00 21.33 H new ATOM 0 HG21 ILE A 40 -6.579 2.202 3.550 1.00 24.13 H new ATOM 0 HG22 ILE A 40 -5.083 3.092 3.180 1.00 24.13 H new ATOM 0 HG23 ILE A 40 -6.235 3.743 4.370 1.00 24.13 H new ATOM 0 HD11 ILE A 40 -10.158 2.924 3.117 1.00 54.02 H new ATOM 0 HD12 ILE A 40 -8.993 2.047 2.097 1.00 54.02 H new ATOM 0 HD13 ILE A 40 -8.648 2.302 3.824 1.00 54.02 H new ATOM 673 N ARG A 41 -3.924 6.047 2.506 1.00 10.00 N ATOM 674 CA ARG A 41 -2.464 6.004 2.374 1.00 53.12 C ATOM 675 C ARG A 41 -1.926 4.895 3.288 1.00 52.24 C ATOM 676 O ARG A 41 -1.769 5.093 4.502 1.00 54.21 O ATOM 677 CB ARG A 41 -1.842 7.386 2.741 1.00 13.41 C ATOM 678 CG ARG A 41 -2.276 8.543 1.813 1.00 33.21 C ATOM 679 CD ARG A 41 -1.514 9.856 2.087 1.00 23.24 C ATOM 680 NE ARG A 41 -1.867 10.467 3.390 1.00 43.44 N ATOM 681 CZ ARG A 41 -2.202 11.768 3.573 1.00 50.32 C ATOM 682 NH1 ARG A 41 -2.233 12.622 2.550 1.00 33.02 N ATOM 683 NH2 ARG A 41 -2.506 12.212 4.781 1.00 64.42 N ATOM 0 H ARG A 41 -4.250 6.702 3.217 1.00 10.00 H new ATOM 0 HA ARG A 41 -2.188 5.788 1.342 1.00 53.12 H new ATOM 0 HB2 ARG A 41 -2.117 7.635 3.766 1.00 13.41 H new ATOM 0 HB3 ARG A 41 -0.756 7.302 2.714 1.00 13.41 H new ATOM 0 HG2 ARG A 41 -2.118 8.248 0.776 1.00 33.21 H new ATOM 0 HG3 ARG A 41 -3.345 8.718 1.935 1.00 33.21 H new ATOM 0 HD2 ARG A 41 -0.442 9.660 2.062 1.00 23.24 H new ATOM 0 HD3 ARG A 41 -1.727 10.567 1.289 1.00 23.24 H new ATOM 0 HE ARG A 41 -1.857 9.863 4.212 1.00 43.44 H new ATOM 0 HH11 ARG A 41 -2.002 12.300 1.610 1.00 33.02 H new ATOM 0 HH12 ARG A 41 -2.487 13.597 2.707 1.00 33.02 H new ATOM 0 HH21 ARG A 41 -2.489 11.575 5.578 1.00 64.42 H new ATOM 0 HH22 ARG A 41 -2.758 13.191 4.916 1.00 64.42 H new ATOM 697 N VAL A 42 -1.709 3.708 2.702 1.00 61.04 N ATOM 698 CA VAL A 42 -1.178 2.544 3.424 1.00 2.20 C ATOM 699 C VAL A 42 0.353 2.588 3.375 1.00 34.54 C ATOM 700 O VAL A 42 0.938 2.579 2.297 1.00 24.03 O ATOM 701 CB VAL A 42 -1.681 1.182 2.811 1.00 24.42 C ATOM 702 CG1 VAL A 42 -1.217 -0.028 3.657 1.00 2.24 C ATOM 703 CG2 VAL A 42 -3.206 1.173 2.673 1.00 45.43 C ATOM 0 H VAL A 42 -1.897 3.529 1.716 1.00 61.04 H new ATOM 0 HA VAL A 42 -1.537 2.593 4.452 1.00 2.20 H new ATOM 0 HB VAL A 42 -1.239 1.092 1.819 1.00 24.42 H new ATOM 0 HG11 VAL A 42 -1.582 -0.950 3.204 1.00 2.24 H new ATOM 0 HG12 VAL A 42 -0.128 -0.049 3.695 1.00 2.24 H new ATOM 0 HG13 VAL A 42 -1.614 0.062 4.668 1.00 2.24 H new ATOM 0 HG21 VAL A 42 -3.527 0.222 2.248 1.00 45.43 H new ATOM 0 HG22 VAL A 42 -3.661 1.303 3.655 1.00 45.43 H new ATOM 0 HG23 VAL A 42 -3.517 1.987 2.018 1.00 45.43 H new ATOM 713 N GLU A 43 0.985 2.682 4.542 1.00 62.52 N ATOM 714 CA GLU A 43 2.442 2.591 4.682 1.00 32.44 C ATOM 715 C GLU A 43 2.821 1.122 4.910 1.00 51.44 C ATOM 716 O GLU A 43 2.324 0.499 5.837 1.00 30.22 O ATOM 717 CB GLU A 43 2.901 3.491 5.860 1.00 71.33 C ATOM 718 CG GLU A 43 2.534 4.983 5.667 1.00 73.21 C ATOM 719 CD GLU A 43 2.977 5.879 6.833 1.00 34.55 C ATOM 720 OE1 GLU A 43 2.230 5.990 7.823 1.00 4.35 O ATOM 721 OE2 GLU A 43 4.081 6.463 6.766 1.00 62.55 O ATOM 0 H GLU A 43 0.499 2.825 5.427 1.00 62.52 H new ATOM 0 HA GLU A 43 2.943 2.942 3.780 1.00 32.44 H new ATOM 0 HB2 GLU A 43 2.449 3.129 6.783 1.00 71.33 H new ATOM 0 HB3 GLU A 43 3.981 3.401 5.978 1.00 71.33 H new ATOM 0 HG2 GLU A 43 2.992 5.345 4.747 1.00 73.21 H new ATOM 0 HG3 GLU A 43 1.455 5.070 5.542 1.00 73.21 H new ATOM 728 N LEU A 44 3.649 0.553 4.027 1.00 3.21 N ATOM 729 CA LEU A 44 4.092 -0.853 4.135 1.00 43.12 C ATOM 730 C LEU A 44 5.624 -0.910 4.197 1.00 4.12 C ATOM 731 O LEU A 44 6.307 0.091 3.976 1.00 65.43 O ATOM 732 CB LEU A 44 3.574 -1.744 2.966 1.00 23.01 C ATOM 733 CG LEU A 44 2.062 -1.603 2.558 1.00 53.03 C ATOM 734 CD1 LEU A 44 1.844 -0.419 1.594 1.00 35.51 C ATOM 735 CD2 LEU A 44 1.509 -2.901 1.939 1.00 1.33 C ATOM 0 H LEU A 44 4.032 1.045 3.220 1.00 3.21 H new ATOM 0 HA LEU A 44 3.662 -1.254 5.053 1.00 43.12 H new ATOM 0 HB2 LEU A 44 4.181 -1.530 2.086 1.00 23.01 H new ATOM 0 HB3 LEU A 44 3.754 -2.786 3.232 1.00 23.01 H new ATOM 0 HG LEU A 44 1.510 -1.406 3.477 1.00 53.03 H new ATOM 0 HD11 LEU A 44 0.788 -0.352 1.333 1.00 35.51 H new ATOM 0 HD12 LEU A 44 2.158 0.506 2.077 1.00 35.51 H new ATOM 0 HD13 LEU A 44 2.432 -0.573 0.689 1.00 35.51 H new ATOM 0 HD21 LEU A 44 0.462 -2.759 1.672 1.00 1.33 H new ATOM 0 HD22 LEU A 44 2.081 -3.150 1.045 1.00 1.33 H new ATOM 0 HD23 LEU A 44 1.592 -3.713 2.661 1.00 1.33 H new ATOM 747 N GLU A 45 6.135 -2.099 4.502 1.00 1.22 N ATOM 748 CA GLU A 45 7.562 -2.364 4.690 1.00 42.11 C ATOM 749 C GLU A 45 8.003 -3.433 3.675 1.00 44.44 C ATOM 750 O GLU A 45 7.685 -4.608 3.831 1.00 64.34 O ATOM 751 CB GLU A 45 7.763 -2.864 6.153 1.00 34.23 C ATOM 752 CG GLU A 45 9.193 -3.314 6.526 1.00 35.24 C ATOM 753 CD GLU A 45 9.265 -3.970 7.921 1.00 31.40 C ATOM 754 OE1 GLU A 45 9.388 -5.214 8.010 1.00 21.44 O ATOM 755 OE2 GLU A 45 9.151 -3.247 8.935 1.00 33.52 O ATOM 0 H GLU A 45 5.555 -2.928 4.629 1.00 1.22 H new ATOM 0 HA GLU A 45 8.162 -1.469 4.529 1.00 42.11 H new ATOM 0 HB2 GLU A 45 7.466 -2.065 6.833 1.00 34.23 H new ATOM 0 HB3 GLU A 45 7.084 -3.699 6.327 1.00 34.23 H new ATOM 0 HG2 GLU A 45 9.554 -4.020 5.778 1.00 35.24 H new ATOM 0 HG3 GLU A 45 9.860 -2.452 6.499 1.00 35.24 H new ATOM 762 N LEU A 46 8.721 -3.008 2.629 1.00 14.12 N ATOM 763 CA LEU A 46 9.346 -3.919 1.650 1.00 33.42 C ATOM 764 C LEU A 46 10.844 -3.885 1.926 1.00 23.12 C ATOM 765 O LEU A 46 11.432 -2.804 2.069 1.00 13.33 O ATOM 766 CB LEU A 46 8.991 -3.477 0.196 1.00 32.21 C ATOM 767 CG LEU A 46 9.479 -4.377 -1.012 1.00 31.23 C ATOM 768 CD1 LEU A 46 8.717 -4.016 -2.294 1.00 73.53 C ATOM 769 CD2 LEU A 46 10.995 -4.260 -1.298 1.00 33.01 C ATOM 0 H LEU A 46 8.888 -2.021 2.433 1.00 14.12 H new ATOM 0 HA LEU A 46 8.978 -4.940 1.747 1.00 33.42 H new ATOM 0 HB2 LEU A 46 7.906 -3.396 0.131 1.00 32.21 H new ATOM 0 HB3 LEU A 46 9.395 -2.476 0.047 1.00 32.21 H new ATOM 0 HG LEU A 46 9.274 -5.404 -0.711 1.00 31.23 H new ATOM 0 HD11 LEU A 46 9.065 -4.644 -3.114 1.00 73.53 H new ATOM 0 HD12 LEU A 46 7.650 -4.178 -2.141 1.00 73.53 H new ATOM 0 HD13 LEU A 46 8.893 -2.969 -2.539 1.00 73.53 H new ATOM 0 HD21 LEU A 46 11.258 -4.904 -2.138 1.00 33.01 H new ATOM 0 HD22 LEU A 46 11.240 -3.226 -1.542 1.00 33.01 H new ATOM 0 HD23 LEU A 46 11.556 -4.567 -0.416 1.00 33.01 H new ATOM 781 N ARG A 47 11.481 -5.060 1.974 1.00 70.14 N ATOM 782 CA ARG A 47 12.889 -5.158 2.356 1.00 45.45 C ATOM 783 C ARG A 47 13.760 -5.288 1.094 1.00 34.02 C ATOM 784 O ARG A 47 13.951 -6.378 0.543 1.00 74.51 O ATOM 785 CB ARG A 47 13.069 -6.336 3.347 1.00 63.35 C ATOM 786 CG ARG A 47 12.231 -6.167 4.644 1.00 25.51 C ATOM 787 CD ARG A 47 12.343 -7.361 5.601 1.00 24.21 C ATOM 788 NE ARG A 47 11.536 -7.170 6.823 1.00 4.14 N ATOM 789 CZ ARG A 47 11.731 -7.803 7.996 1.00 23.31 C ATOM 790 NH1 ARG A 47 12.718 -8.689 8.145 1.00 33.15 N ATOM 791 NH2 ARG A 47 10.931 -7.539 9.018 1.00 10.21 N ATOM 0 H ARG A 47 11.042 -5.954 1.753 1.00 70.14 H new ATOM 0 HA ARG A 47 13.216 -4.254 2.870 1.00 45.45 H new ATOM 0 HB2 ARG A 47 12.784 -7.266 2.854 1.00 63.35 H new ATOM 0 HB3 ARG A 47 14.123 -6.425 3.610 1.00 63.35 H new ATOM 0 HG2 ARG A 47 12.555 -5.264 5.162 1.00 25.51 H new ATOM 0 HG3 ARG A 47 11.184 -6.023 4.376 1.00 25.51 H new ATOM 0 HD2 ARG A 47 12.017 -8.267 5.090 1.00 24.21 H new ATOM 0 HD3 ARG A 47 13.387 -7.508 5.876 1.00 24.21 H new ATOM 0 HE ARG A 47 10.766 -6.503 6.775 1.00 4.14 H new ATOM 0 HH11 ARG A 47 13.340 -8.896 7.363 1.00 33.15 H new ATOM 0 HH12 ARG A 47 12.851 -9.159 9.041 1.00 33.15 H new ATOM 0 HH21 ARG A 47 10.176 -6.862 8.913 1.00 10.21 H new ATOM 0 HH22 ARG A 47 11.070 -8.013 9.910 1.00 10.21 H new ATOM 805 N THR A 48 14.296 -4.134 0.661 1.00 4.53 N ATOM 806 CA THR A 48 15.088 -3.999 -0.567 1.00 1.53 C ATOM 807 C THR A 48 16.569 -4.240 -0.237 1.00 0.30 C ATOM 808 O THR A 48 17.151 -3.482 0.548 1.00 42.35 O ATOM 809 CB THR A 48 14.907 -2.577 -1.194 1.00 15.10 C ATOM 810 OG1 THR A 48 13.505 -2.287 -1.362 1.00 54.40 O ATOM 811 CG2 THR A 48 15.618 -2.451 -2.554 1.00 13.22 C ATOM 0 H THR A 48 14.187 -3.255 1.166 1.00 4.53 H new ATOM 0 HA THR A 48 14.744 -4.735 -1.293 1.00 1.53 H new ATOM 0 HB THR A 48 15.359 -1.861 -0.508 1.00 15.10 H new ATOM 0 HG1 THR A 48 13.315 -2.127 -2.310 1.00 54.40 H new ATOM 0 HG21 THR A 48 15.466 -1.448 -2.953 1.00 13.22 H new ATOM 0 HG22 THR A 48 16.685 -2.632 -2.425 1.00 13.22 H new ATOM 0 HG23 THR A 48 15.207 -3.184 -3.249 1.00 13.22 H new ATOM 819 N ASN A 49 17.144 -5.326 -0.820 1.00 63.31 N ATOM 820 CA ASN A 49 18.549 -5.752 -0.597 1.00 74.52 C ATOM 821 C ASN A 49 18.774 -6.181 0.870 1.00 63.53 C ATOM 822 O ASN A 49 19.915 -6.277 1.327 1.00 74.14 O ATOM 823 CB ASN A 49 19.557 -4.636 -1.032 1.00 71.31 C ATOM 824 CG ASN A 49 19.498 -4.298 -2.528 1.00 41.44 C ATOM 825 OD1 ASN A 49 18.468 -4.447 -3.187 1.00 35.05 O ATOM 826 ND2 ASN A 49 20.603 -3.809 -3.076 1.00 64.30 N ATOM 0 H ASN A 49 16.639 -5.935 -1.464 1.00 63.31 H new ATOM 0 HA ASN A 49 18.738 -6.622 -1.226 1.00 74.52 H new ATOM 0 HB2 ASN A 49 19.355 -3.733 -0.457 1.00 71.31 H new ATOM 0 HB3 ASN A 49 20.569 -4.955 -0.781 1.00 71.31 H new ATOM 0 HD21 ASN A 49 20.611 -3.548 -4.062 1.00 64.30 H new ATOM 0 HD22 ASN A 49 21.445 -3.694 -2.511 1.00 64.30 H new ATOM 833 N GLY A 50 17.662 -6.463 1.587 1.00 1.31 N ATOM 834 CA GLY A 50 17.693 -6.793 3.017 1.00 50.01 C ATOM 835 C GLY A 50 17.411 -5.586 3.913 1.00 51.34 C ATOM 836 O GLY A 50 17.118 -5.756 5.101 1.00 63.52 O ATOM 0 H GLY A 50 16.724 -6.466 1.185 1.00 1.31 H new ATOM 0 HA2 GLY A 50 16.957 -7.571 3.221 1.00 50.01 H new ATOM 0 HA3 GLY A 50 18.670 -7.205 3.268 1.00 50.01 H new ATOM 840 N LYS A 51 17.525 -4.370 3.350 1.00 43.21 N ATOM 841 CA LYS A 51 17.257 -3.106 4.066 1.00 2.32 C ATOM 842 C LYS A 51 15.752 -2.831 4.150 1.00 30.05 C ATOM 843 O LYS A 51 15.023 -3.098 3.198 1.00 24.31 O ATOM 844 CB LYS A 51 17.914 -1.927 3.315 1.00 41.33 C ATOM 845 CG LYS A 51 19.451 -1.962 3.243 1.00 52.31 C ATOM 846 CD LYS A 51 19.990 -0.914 2.237 1.00 52.52 C ATOM 847 CE LYS A 51 19.509 0.527 2.526 1.00 44.13 C ATOM 848 NZ LYS A 51 19.966 1.490 1.485 1.00 43.04 N ATOM 0 H LYS A 51 17.807 -4.234 2.379 1.00 43.21 H new ATOM 0 HA LYS A 51 17.669 -3.202 5.071 1.00 2.32 H new ATOM 0 HB2 LYS A 51 17.520 -1.902 2.299 1.00 41.33 H new ATOM 0 HB3 LYS A 51 17.611 -0.998 3.797 1.00 41.33 H new ATOM 0 HG2 LYS A 51 19.868 -1.769 4.231 1.00 52.31 H new ATOM 0 HG3 LYS A 51 19.781 -2.958 2.946 1.00 52.31 H new ATOM 0 HD2 LYS A 51 21.080 -0.934 2.253 1.00 52.52 H new ATOM 0 HD3 LYS A 51 19.681 -1.196 1.231 1.00 52.52 H new ATOM 0 HE2 LYS A 51 18.420 0.541 2.580 1.00 44.13 H new ATOM 0 HE3 LYS A 51 19.880 0.844 3.501 1.00 44.13 H new ATOM 0 HZ1 LYS A 51 19.338 2.319 1.479 1.00 43.04 H new ATOM 0 HZ2 LYS A 51 20.938 1.794 1.696 1.00 43.04 H new ATOM 0 HZ3 LYS A 51 19.941 1.031 0.552 1.00 43.04 H new ATOM 862 N LYS A 52 15.311 -2.226 5.260 1.00 73.43 N ATOM 863 CA LYS A 52 13.916 -1.811 5.439 1.00 72.44 C ATOM 864 C LYS A 52 13.667 -0.485 4.694 1.00 40.00 C ATOM 865 O LYS A 52 14.176 0.568 5.092 1.00 24.34 O ATOM 866 CB LYS A 52 13.589 -1.650 6.947 1.00 31.24 C ATOM 867 CG LYS A 52 12.184 -1.068 7.239 1.00 42.23 C ATOM 868 CD LYS A 52 11.958 -0.804 8.740 1.00 33.25 C ATOM 869 CE LYS A 52 10.570 -0.230 9.040 1.00 70.41 C ATOM 870 NZ LYS A 52 10.376 -0.014 10.494 1.00 62.32 N ATOM 0 H LYS A 52 15.910 -2.011 6.057 1.00 73.43 H new ATOM 0 HA LYS A 52 13.263 -2.579 5.025 1.00 72.44 H new ATOM 0 HB2 LYS A 52 13.673 -2.623 7.430 1.00 31.24 H new ATOM 0 HB3 LYS A 52 14.339 -1.002 7.402 1.00 31.24 H new ATOM 0 HG2 LYS A 52 12.057 -0.137 6.686 1.00 42.23 H new ATOM 0 HG3 LYS A 52 11.424 -1.760 6.876 1.00 42.23 H new ATOM 0 HD2 LYS A 52 12.088 -1.735 9.291 1.00 33.25 H new ATOM 0 HD3 LYS A 52 12.718 -0.111 9.101 1.00 33.25 H new ATOM 0 HE2 LYS A 52 10.443 0.714 8.510 1.00 70.41 H new ATOM 0 HE3 LYS A 52 9.805 -0.910 8.667 1.00 70.41 H new ATOM 0 HZ1 LYS A 52 9.433 0.391 10.662 1.00 62.32 H new ATOM 0 HZ2 LYS A 52 10.457 -0.922 10.994 1.00 62.32 H new ATOM 0 HZ3 LYS A 52 11.102 0.641 10.848 1.00 62.32 H new ATOM 884 N GLU A 53 12.918 -0.572 3.589 1.00 3.14 N ATOM 885 CA GLU A 53 12.431 0.592 2.836 1.00 71.40 C ATOM 886 C GLU A 53 10.904 0.654 3.000 1.00 34.22 C ATOM 887 O GLU A 53 10.199 -0.297 2.642 1.00 24.51 O ATOM 888 CB GLU A 53 12.813 0.472 1.333 1.00 4.31 C ATOM 889 CG GLU A 53 14.327 0.373 1.046 1.00 35.21 C ATOM 890 CD GLU A 53 15.144 1.601 1.501 1.00 12.42 C ATOM 891 OE1 GLU A 53 14.747 2.753 1.187 1.00 31.51 O ATOM 892 OE2 GLU A 53 16.205 1.422 2.145 1.00 1.42 O ATOM 0 H GLU A 53 12.629 -1.463 3.187 1.00 3.14 H new ATOM 0 HA GLU A 53 12.889 1.504 3.218 1.00 71.40 H new ATOM 0 HB2 GLU A 53 12.322 -0.409 0.919 1.00 4.31 H new ATOM 0 HB3 GLU A 53 12.415 1.337 0.803 1.00 4.31 H new ATOM 0 HG2 GLU A 53 14.721 -0.514 1.542 1.00 35.21 H new ATOM 0 HG3 GLU A 53 14.473 0.231 -0.025 1.00 35.21 H new ATOM 899 N ASN A 54 10.399 1.750 3.585 1.00 34.43 N ATOM 900 CA ASN A 54 8.946 1.962 3.761 1.00 24.00 C ATOM 901 C ASN A 54 8.365 2.651 2.519 1.00 44.20 C ATOM 902 O ASN A 54 8.944 3.613 2.012 1.00 41.05 O ATOM 903 CB ASN A 54 8.654 2.805 5.028 1.00 23.42 C ATOM 904 CG ASN A 54 9.113 2.115 6.317 1.00 14.24 C ATOM 905 OD1 ASN A 54 8.368 1.341 6.928 1.00 12.11 O ATOM 906 ND2 ASN A 54 10.340 2.383 6.742 1.00 40.12 N ATOM 0 H ASN A 54 10.975 2.510 3.948 1.00 34.43 H new ATOM 0 HA ASN A 54 8.470 0.989 3.888 1.00 24.00 H new ATOM 0 HB2 ASN A 54 9.153 3.770 4.940 1.00 23.42 H new ATOM 0 HB3 ASN A 54 7.584 3.004 5.088 1.00 23.42 H new ATOM 0 HD21 ASN A 54 10.691 1.946 7.594 1.00 40.12 H new ATOM 0 HD22 ASN A 54 10.933 3.026 6.217 1.00 40.12 H new ATOM 913 N TYR A 55 7.238 2.132 2.009 1.00 2.13 N ATOM 914 CA TYR A 55 6.548 2.695 0.834 1.00 4.33 C ATOM 915 C TYR A 55 5.096 3.014 1.208 1.00 3.50 C ATOM 916 O TYR A 55 4.337 2.116 1.588 1.00 33.33 O ATOM 917 CB TYR A 55 6.559 1.693 -0.352 1.00 55.43 C ATOM 918 CG TYR A 55 7.955 1.257 -0.839 1.00 54.34 C ATOM 919 CD1 TYR A 55 8.556 1.837 -1.960 1.00 12.24 C ATOM 920 CD2 TYR A 55 8.660 0.252 -0.180 1.00 62.20 C ATOM 921 CE1 TYR A 55 9.813 1.434 -2.384 1.00 3.44 C ATOM 922 CE2 TYR A 55 9.907 -0.146 -0.604 1.00 33.42 C ATOM 923 CZ TYR A 55 10.477 0.437 -1.700 1.00 21.22 C ATOM 924 OH TYR A 55 11.736 0.037 -2.099 1.00 52.32 O ATOM 0 H TYR A 55 6.777 1.309 2.398 1.00 2.13 H new ATOM 0 HA TYR A 55 7.070 3.601 0.527 1.00 4.33 H new ATOM 0 HB2 TYR A 55 6.001 0.804 -0.059 1.00 55.43 H new ATOM 0 HB3 TYR A 55 6.025 2.142 -1.189 1.00 55.43 H new ATOM 0 HD1 TYR A 55 8.034 2.610 -2.504 1.00 12.24 H new ATOM 0 HD2 TYR A 55 8.218 -0.225 0.682 1.00 62.20 H new ATOM 0 HE1 TYR A 55 10.270 1.898 -3.245 1.00 3.44 H new ATOM 0 HE2 TYR A 55 10.436 -0.921 -0.069 1.00 33.42 H new ATOM 0 HH TYR A 55 11.984 -0.784 -1.624 1.00 52.32 H new ATOM 934 N THR A 56 4.717 4.290 1.092 1.00 44.24 N ATOM 935 CA THR A 56 3.338 4.731 1.270 1.00 50.32 C ATOM 936 C THR A 56 2.606 4.606 -0.081 1.00 31.11 C ATOM 937 O THR A 56 2.792 5.434 -0.979 1.00 2.24 O ATOM 938 CB THR A 56 3.295 6.211 1.791 1.00 0.21 C ATOM 939 OG1 THR A 56 4.139 6.342 2.955 1.00 31.53 O ATOM 940 CG2 THR A 56 1.860 6.666 2.136 1.00 33.12 C ATOM 0 H THR A 56 5.364 5.047 0.871 1.00 44.24 H new ATOM 0 HA THR A 56 2.843 4.106 2.014 1.00 50.32 H new ATOM 0 HB THR A 56 3.660 6.852 0.989 1.00 0.21 H new ATOM 0 HG1 THR A 56 4.111 7.267 3.277 1.00 31.53 H new ATOM 0 HG21 THR A 56 1.881 7.696 2.492 1.00 33.12 H new ATOM 0 HG22 THR A 56 1.234 6.602 1.246 1.00 33.12 H new ATOM 0 HG23 THR A 56 1.451 6.021 2.914 1.00 33.12 H new ATOM 948 N VAL A 57 1.802 3.544 -0.219 1.00 30.43 N ATOM 949 CA VAL A 57 0.991 3.299 -1.415 1.00 3.40 C ATOM 950 C VAL A 57 -0.390 3.932 -1.190 1.00 0.32 C ATOM 951 O VAL A 57 -1.208 3.429 -0.405 1.00 33.43 O ATOM 952 CB VAL A 57 0.839 1.764 -1.732 1.00 31.14 C ATOM 953 CG1 VAL A 57 0.050 1.534 -3.048 1.00 33.14 C ATOM 954 CG2 VAL A 57 2.213 1.064 -1.788 1.00 55.40 C ATOM 0 H VAL A 57 1.696 2.828 0.500 1.00 30.43 H new ATOM 0 HA VAL A 57 1.491 3.746 -2.275 1.00 3.40 H new ATOM 0 HB VAL A 57 0.268 1.319 -0.917 1.00 31.14 H new ATOM 0 HG11 VAL A 57 -0.037 0.464 -3.238 1.00 33.14 H new ATOM 0 HG12 VAL A 57 -0.945 1.968 -2.956 1.00 33.14 H new ATOM 0 HG13 VAL A 57 0.577 2.008 -3.876 1.00 33.14 H new ATOM 0 HG21 VAL A 57 2.073 0.006 -2.009 1.00 55.40 H new ATOM 0 HG22 VAL A 57 2.822 1.520 -2.568 1.00 55.40 H new ATOM 0 HG23 VAL A 57 2.715 1.171 -0.827 1.00 55.40 H new ATOM 964 N GLU A 58 -0.591 5.071 -1.853 1.00 12.32 N ATOM 965 CA GLU A 58 -1.817 5.864 -1.786 1.00 63.32 C ATOM 966 C GLU A 58 -2.870 5.252 -2.720 1.00 41.23 C ATOM 967 O GLU A 58 -2.742 5.346 -3.938 1.00 75.55 O ATOM 968 CB GLU A 58 -1.509 7.328 -2.207 1.00 42.23 C ATOM 969 CG GLU A 58 -0.325 7.966 -1.443 1.00 54.31 C ATOM 970 CD GLU A 58 -0.057 9.423 -1.853 1.00 63.12 C ATOM 971 OE1 GLU A 58 0.842 9.668 -2.692 1.00 64.51 O ATOM 972 OE2 GLU A 58 -0.754 10.326 -1.337 1.00 31.51 O ATOM 0 H GLU A 58 0.114 5.478 -2.468 1.00 12.32 H new ATOM 0 HA GLU A 58 -2.204 5.863 -0.767 1.00 63.32 H new ATOM 0 HB2 GLU A 58 -1.293 7.350 -3.275 1.00 42.23 H new ATOM 0 HB3 GLU A 58 -2.400 7.936 -2.049 1.00 42.23 H new ATOM 0 HG2 GLU A 58 -0.528 7.928 -0.373 1.00 54.31 H new ATOM 0 HG3 GLU A 58 0.574 7.374 -1.618 1.00 54.31 H new ATOM 979 N VAL A 59 -3.867 4.575 -2.143 1.00 32.12 N ATOM 980 CA VAL A 59 -4.979 3.952 -2.894 1.00 3.20 C ATOM 981 C VAL A 59 -6.292 4.696 -2.550 1.00 23.22 C ATOM 982 O VAL A 59 -6.548 4.960 -1.384 1.00 14.25 O ATOM 983 CB VAL A 59 -5.114 2.422 -2.539 1.00 73.43 C ATOM 984 CG1 VAL A 59 -6.123 1.718 -3.467 1.00 0.11 C ATOM 985 CG2 VAL A 59 -3.739 1.697 -2.566 1.00 24.03 C ATOM 0 H VAL A 59 -3.933 4.439 -1.134 1.00 32.12 H new ATOM 0 HA VAL A 59 -4.775 4.029 -3.962 1.00 3.20 H new ATOM 0 HB VAL A 59 -5.495 2.365 -1.519 1.00 73.43 H new ATOM 0 HG11 VAL A 59 -6.193 0.665 -3.196 1.00 0.11 H new ATOM 0 HG12 VAL A 59 -7.102 2.186 -3.361 1.00 0.11 H new ATOM 0 HG13 VAL A 59 -5.789 1.805 -4.501 1.00 0.11 H new ATOM 0 HG21 VAL A 59 -3.877 0.645 -2.316 1.00 24.03 H new ATOM 0 HG22 VAL A 59 -3.304 1.779 -3.562 1.00 24.03 H new ATOM 0 HG23 VAL A 59 -3.070 2.158 -1.839 1.00 24.03 H new ATOM 995 N GLU A 60 -7.120 5.030 -3.558 1.00 63.05 N ATOM 996 CA GLU A 60 -8.339 5.847 -3.371 1.00 43.41 C ATOM 997 C GLU A 60 -9.593 5.092 -3.847 1.00 24.43 C ATOM 998 O GLU A 60 -9.553 4.370 -4.848 1.00 35.12 O ATOM 999 CB GLU A 60 -8.212 7.173 -4.153 1.00 35.50 C ATOM 1000 CG GLU A 60 -9.436 8.107 -4.003 1.00 23.01 C ATOM 1001 CD GLU A 60 -9.341 9.375 -4.843 1.00 15.21 C ATOM 1002 OE1 GLU A 60 -8.691 10.338 -4.401 1.00 21.23 O ATOM 1003 OE2 GLU A 60 -9.873 9.398 -5.974 1.00 41.21 O ATOM 0 H GLU A 60 -6.965 4.743 -4.524 1.00 63.05 H new ATOM 0 HA GLU A 60 -8.442 6.055 -2.306 1.00 43.41 H new ATOM 0 HB2 GLU A 60 -7.321 7.700 -3.813 1.00 35.50 H new ATOM 0 HB3 GLU A 60 -8.066 6.948 -5.209 1.00 35.50 H new ATOM 0 HG2 GLU A 60 -10.336 7.561 -4.285 1.00 23.01 H new ATOM 0 HG3 GLU A 60 -9.546 8.383 -2.954 1.00 23.01 H new ATOM 1010 N ARG A 61 -10.708 5.276 -3.109 1.00 22.02 N ATOM 1011 CA ARG A 61 -12.025 4.727 -3.466 1.00 10.45 C ATOM 1012 C ARG A 61 -12.678 5.614 -4.539 1.00 15.31 C ATOM 1013 O ARG A 61 -12.955 6.790 -4.293 1.00 14.52 O ATOM 1014 CB ARG A 61 -12.930 4.666 -2.206 1.00 44.23 C ATOM 1015 CG ARG A 61 -14.291 3.949 -2.398 1.00 43.22 C ATOM 1016 CD ARG A 61 -14.154 2.438 -2.793 1.00 2.14 C ATOM 1017 NE ARG A 61 -14.812 1.515 -1.836 1.00 72.25 N ATOM 1018 CZ ARG A 61 -16.147 1.388 -1.655 1.00 62.24 C ATOM 1019 NH1 ARG A 61 -16.999 2.121 -2.345 1.00 54.30 N ATOM 1020 NH2 ARG A 61 -16.628 0.509 -0.785 1.00 31.03 N ATOM 0 H ARG A 61 -10.715 5.814 -2.243 1.00 22.02 H new ATOM 0 HA ARG A 61 -11.901 3.719 -3.861 1.00 10.45 H new ATOM 0 HB2 ARG A 61 -12.382 4.161 -1.410 1.00 44.23 H new ATOM 0 HB3 ARG A 61 -13.120 5.684 -1.866 1.00 44.23 H new ATOM 0 HG2 ARG A 61 -14.865 4.024 -1.474 1.00 43.22 H new ATOM 0 HG3 ARG A 61 -14.860 4.468 -3.170 1.00 43.22 H new ATOM 0 HD2 ARG A 61 -14.584 2.289 -3.783 1.00 2.14 H new ATOM 0 HD3 ARG A 61 -13.097 2.183 -2.863 1.00 2.14 H new ATOM 0 HE ARG A 61 -14.206 0.925 -1.265 1.00 72.25 H new ATOM 0 HH11 ARG A 61 -16.655 2.796 -3.028 1.00 54.30 H new ATOM 0 HH12 ARG A 61 -18.002 2.013 -2.196 1.00 54.30 H new ATOM 0 HH21 ARG A 61 -15.990 -0.077 -0.247 1.00 31.03 H new ATOM 0 HH22 ARG A 61 -17.636 0.420 -0.655 1.00 31.03 H new ATOM 1034 N GLN A 62 -12.871 5.051 -5.734 1.00 42.41 N ATOM 1035 CA GLN A 62 -13.620 5.684 -6.837 1.00 62.42 C ATOM 1036 C GLN A 62 -14.791 4.757 -7.197 1.00 42.12 C ATOM 1037 O GLN A 62 -14.589 3.706 -7.819 1.00 65.41 O ATOM 1038 CB GLN A 62 -12.691 5.937 -8.065 1.00 61.35 C ATOM 1039 CG GLN A 62 -11.536 6.923 -7.774 1.00 60.22 C ATOM 1040 CD GLN A 62 -10.679 7.266 -8.991 1.00 12.01 C ATOM 1041 OE1 GLN A 62 -10.556 6.481 -9.928 1.00 2.11 O ATOM 1042 NE2 GLN A 62 -10.027 8.422 -8.953 1.00 3.14 N ATOM 0 H GLN A 62 -12.508 4.128 -5.972 1.00 42.41 H new ATOM 0 HA GLN A 62 -14.001 6.658 -6.530 1.00 62.42 H new ATOM 0 HB2 GLN A 62 -12.272 4.986 -8.395 1.00 61.35 H new ATOM 0 HB3 GLN A 62 -13.290 6.325 -8.889 1.00 61.35 H new ATOM 0 HG2 GLN A 62 -11.954 7.844 -7.368 1.00 60.22 H new ATOM 0 HG3 GLN A 62 -10.896 6.496 -7.002 1.00 60.22 H new ATOM 0 HE21 GLN A 62 -10.151 9.052 -8.160 1.00 3.14 H new ATOM 0 HE22 GLN A 62 -9.402 8.680 -9.717 1.00 3.14 H new ATOM 1051 N GLY A 63 -16.006 5.126 -6.747 1.00 3.34 N ATOM 1052 CA GLY A 63 -17.174 4.263 -6.873 1.00 22.45 C ATOM 1053 C GLY A 63 -17.076 3.101 -5.898 1.00 74.43 C ATOM 1054 O GLY A 63 -17.368 3.265 -4.720 1.00 20.31 O ATOM 0 H GLY A 63 -16.194 6.020 -6.293 1.00 3.34 H new ATOM 0 HA2 GLY A 63 -18.081 4.835 -6.678 1.00 22.45 H new ATOM 0 HA3 GLY A 63 -17.248 3.886 -7.893 1.00 22.45 H new ATOM 1058 N ASN A 64 -16.650 1.934 -6.399 1.00 63.44 N ATOM 1059 CA ASN A 64 -16.286 0.758 -5.579 1.00 72.02 C ATOM 1060 C ASN A 64 -14.837 0.333 -5.871 1.00 20.41 C ATOM 1061 O ASN A 64 -14.226 -0.371 -5.063 1.00 2.31 O ATOM 1062 CB ASN A 64 -17.250 -0.434 -5.840 1.00 52.05 C ATOM 1063 CG ASN A 64 -18.708 -0.173 -5.438 1.00 31.53 C ATOM 1064 OD1 ASN A 64 -19.634 -0.691 -6.068 1.00 64.42 O ATOM 1065 ND2 ASN A 64 -18.938 0.593 -4.374 1.00 70.23 N ATOM 0 H ASN A 64 -16.545 1.772 -7.401 1.00 63.44 H new ATOM 0 HA ASN A 64 -16.374 1.043 -4.531 1.00 72.02 H new ATOM 0 HB2 ASN A 64 -17.218 -0.685 -6.900 1.00 52.05 H new ATOM 0 HB3 ASN A 64 -16.886 -1.305 -5.295 1.00 52.05 H new ATOM 0 HD21 ASN A 64 -19.895 0.762 -4.064 1.00 70.23 H new ATOM 0 HD22 ASN A 64 -18.157 1.011 -3.868 1.00 70.23 H new ATOM 1072 N THR A 65 -14.292 0.771 -7.025 1.00 21.31 N ATOM 1073 CA THR A 65 -12.952 0.362 -7.484 1.00 52.24 C ATOM 1074 C THR A 65 -11.839 1.108 -6.710 1.00 0.42 C ATOM 1075 O THR A 65 -11.946 2.315 -6.472 1.00 32.42 O ATOM 1076 CB THR A 65 -12.779 0.597 -9.030 1.00 14.14 C ATOM 1077 OG1 THR A 65 -13.011 1.980 -9.367 1.00 75.22 O ATOM 1078 CG2 THR A 65 -13.742 -0.284 -9.853 1.00 4.31 C ATOM 0 H THR A 65 -14.766 1.414 -7.660 1.00 21.31 H new ATOM 0 HA THR A 65 -12.858 -0.705 -7.283 1.00 52.24 H new ATOM 0 HB THR A 65 -11.753 0.324 -9.277 1.00 14.14 H new ATOM 0 HG1 THR A 65 -13.467 2.426 -8.623 1.00 75.22 H new ATOM 0 HG21 THR A 65 -13.592 -0.093 -10.916 1.00 4.31 H new ATOM 0 HG22 THR A 65 -13.544 -1.335 -9.642 1.00 4.31 H new ATOM 0 HG23 THR A 65 -14.771 -0.048 -9.584 1.00 4.31 H new ATOM 1086 N TRP A 66 -10.791 0.368 -6.317 1.00 3.32 N ATOM 1087 CA TRP A 66 -9.610 0.912 -5.623 1.00 4.21 C ATOM 1088 C TRP A 66 -8.491 1.192 -6.637 1.00 71.31 C ATOM 1089 O TRP A 66 -7.941 0.265 -7.235 1.00 13.12 O ATOM 1090 CB TRP A 66 -9.155 -0.081 -4.520 1.00 60.11 C ATOM 1091 CG TRP A 66 -10.117 -0.114 -3.353 1.00 44.15 C ATOM 1092 CD1 TRP A 66 -11.066 -1.060 -3.065 1.00 1.30 C ATOM 1093 CD2 TRP A 66 -10.238 0.897 -2.336 1.00 21.43 C ATOM 1094 NE1 TRP A 66 -11.753 -0.702 -1.928 1.00 74.24 N ATOM 1095 CE2 TRP A 66 -11.262 0.496 -1.468 1.00 2.53 C ATOM 1096 CE3 TRP A 66 -9.572 2.103 -2.080 1.00 75.23 C ATOM 1097 CZ2 TRP A 66 -11.632 1.259 -0.365 1.00 33.04 C ATOM 1098 CZ3 TRP A 66 -9.941 2.855 -0.983 1.00 22.32 C ATOM 1099 CH2 TRP A 66 -10.967 2.429 -0.136 1.00 5.15 C ATOM 0 H TRP A 66 -10.738 -0.638 -6.474 1.00 3.32 H new ATOM 0 HA TRP A 66 -9.862 1.857 -5.142 1.00 4.21 H new ATOM 0 HB2 TRP A 66 -9.068 -1.081 -4.946 1.00 60.11 H new ATOM 0 HB3 TRP A 66 -8.164 0.202 -4.165 1.00 60.11 H new ATOM 0 HD1 TRP A 66 -11.247 -1.953 -3.644 1.00 1.30 H new ATOM 0 HE1 TRP A 66 -12.505 -1.239 -1.496 1.00 74.24 H new ATOM 0 HE3 TRP A 66 -8.780 2.440 -2.733 1.00 75.23 H new ATOM 0 HZ2 TRP A 66 -12.425 0.934 0.293 1.00 33.04 H new ATOM 0 HZ3 TRP A 66 -9.430 3.784 -0.777 1.00 22.32 H new ATOM 0 HH2 TRP A 66 -11.239 3.036 0.715 1.00 5.15 H new ATOM 1110 N THR A 67 -8.189 2.486 -6.842 1.00 20.33 N ATOM 1111 CA THR A 67 -7.179 2.946 -7.807 1.00 33.24 C ATOM 1112 C THR A 67 -5.904 3.395 -7.058 1.00 10.10 C ATOM 1113 O THR A 67 -5.989 3.994 -5.989 1.00 44.02 O ATOM 1114 CB THR A 67 -7.766 4.111 -8.691 1.00 75.14 C ATOM 1115 OG1 THR A 67 -6.964 4.281 -9.866 1.00 0.32 O ATOM 1116 CG2 THR A 67 -7.859 5.459 -7.935 1.00 21.22 C ATOM 0 H THR A 67 -8.644 3.247 -6.338 1.00 20.33 H new ATOM 0 HA THR A 67 -6.911 2.125 -8.471 1.00 33.24 H new ATOM 0 HB THR A 67 -8.782 3.820 -8.958 1.00 75.14 H new ATOM 0 HG1 THR A 67 -7.334 5.005 -10.413 1.00 0.32 H new ATOM 0 HG21 THR A 67 -8.271 6.220 -8.598 1.00 21.22 H new ATOM 0 HG22 THR A 67 -8.508 5.345 -7.066 1.00 21.22 H new ATOM 0 HG23 THR A 67 -6.864 5.762 -7.608 1.00 21.22 H new ATOM 1124 N VAL A 68 -4.719 3.071 -7.591 1.00 71.30 N ATOM 1125 CA VAL A 68 -3.442 3.504 -6.987 1.00 31.12 C ATOM 1126 C VAL A 68 -2.994 4.851 -7.587 1.00 71.43 C ATOM 1127 O VAL A 68 -2.755 4.958 -8.795 1.00 5.21 O ATOM 1128 CB VAL A 68 -2.318 2.425 -7.158 1.00 0.35 C ATOM 1129 CG1 VAL A 68 -0.989 2.867 -6.483 1.00 14.51 C ATOM 1130 CG2 VAL A 68 -2.799 1.067 -6.600 1.00 33.20 C ATOM 0 H VAL A 68 -4.613 2.512 -8.437 1.00 71.30 H new ATOM 0 HA VAL A 68 -3.611 3.631 -5.918 1.00 31.12 H new ATOM 0 HB VAL A 68 -2.114 2.315 -8.223 1.00 0.35 H new ATOM 0 HG11 VAL A 68 -0.235 2.093 -6.623 1.00 14.51 H new ATOM 0 HG12 VAL A 68 -0.643 3.797 -6.935 1.00 14.51 H new ATOM 0 HG13 VAL A 68 -1.156 3.022 -5.417 1.00 14.51 H new ATOM 0 HG21 VAL A 68 -2.011 0.324 -6.723 1.00 33.20 H new ATOM 0 HG22 VAL A 68 -3.036 1.172 -5.541 1.00 33.20 H new ATOM 0 HG23 VAL A 68 -3.689 0.746 -7.141 1.00 33.20 H new ATOM 1140 N LYS A 69 -2.930 5.872 -6.718 1.00 32.25 N ATOM 1141 CA LYS A 69 -2.440 7.220 -7.049 1.00 2.12 C ATOM 1142 C LYS A 69 -0.915 7.219 -7.259 1.00 4.23 C ATOM 1143 O LYS A 69 -0.422 7.604 -8.327 1.00 54.13 O ATOM 1144 CB LYS A 69 -2.802 8.198 -5.892 1.00 4.04 C ATOM 1145 CG LYS A 69 -4.309 8.432 -5.694 1.00 41.11 C ATOM 1146 CD LYS A 69 -4.957 9.170 -6.896 1.00 2.50 C ATOM 1147 CE LYS A 69 -6.439 9.466 -6.653 1.00 4.53 C ATOM 1148 NZ LYS A 69 -7.046 10.302 -7.718 1.00 33.44 N ATOM 0 H LYS A 69 -3.223 5.782 -5.745 1.00 32.25 H new ATOM 0 HA LYS A 69 -2.914 7.542 -7.976 1.00 2.12 H new ATOM 0 HB2 LYS A 69 -2.384 7.811 -4.963 1.00 4.04 H new ATOM 0 HB3 LYS A 69 -2.321 9.158 -6.082 1.00 4.04 H new ATOM 0 HG2 LYS A 69 -4.807 7.473 -5.549 1.00 41.11 H new ATOM 0 HG3 LYS A 69 -4.467 9.014 -4.786 1.00 41.11 H new ATOM 0 HD2 LYS A 69 -4.425 10.104 -7.078 1.00 2.50 H new ATOM 0 HD3 LYS A 69 -4.851 8.563 -7.795 1.00 2.50 H new ATOM 0 HE2 LYS A 69 -6.985 8.525 -6.582 1.00 4.53 H new ATOM 0 HE3 LYS A 69 -6.550 9.972 -5.694 1.00 4.53 H new ATOM 0 HZ1 LYS A 69 -8.049 10.469 -7.499 1.00 33.44 H new ATOM 0 HZ2 LYS A 69 -6.547 11.213 -7.771 1.00 33.44 H new ATOM 0 HZ3 LYS A 69 -6.968 9.811 -8.631 1.00 33.44 H new ATOM 1162 N ARG A 70 -0.188 6.772 -6.224 1.00 14.04 N ATOM 1163 CA ARG A 70 1.284 6.838 -6.187 1.00 22.31 C ATOM 1164 C ARG A 70 1.821 5.876 -5.123 1.00 34.40 C ATOM 1165 O ARG A 70 1.301 5.825 -4.007 1.00 12.45 O ATOM 1166 CB ARG A 70 1.783 8.312 -5.891 1.00 23.33 C ATOM 1167 CG ARG A 70 2.551 8.991 -7.050 1.00 32.32 C ATOM 1168 CD ARG A 70 3.861 8.264 -7.417 1.00 1.33 C ATOM 1169 NE ARG A 70 4.609 8.988 -8.462 1.00 40.10 N ATOM 1170 CZ ARG A 70 5.686 8.520 -9.124 1.00 1.02 C ATOM 1171 NH1 ARG A 70 6.176 7.311 -8.874 1.00 13.23 N ATOM 1172 NH2 ARG A 70 6.264 9.277 -10.040 1.00 50.50 N ATOM 0 H ARG A 70 -0.601 6.355 -5.390 1.00 14.04 H new ATOM 0 HA ARG A 70 1.664 6.544 -7.165 1.00 22.31 H new ATOM 0 HB2 ARG A 70 0.919 8.927 -5.639 1.00 23.33 H new ATOM 0 HB3 ARG A 70 2.427 8.291 -5.012 1.00 23.33 H new ATOM 0 HG2 ARG A 70 1.907 9.033 -7.929 1.00 32.32 H new ATOM 0 HG3 ARG A 70 2.779 10.020 -6.773 1.00 32.32 H new ATOM 0 HD2 ARG A 70 4.483 8.163 -6.528 1.00 1.33 H new ATOM 0 HD3 ARG A 70 3.634 7.256 -7.764 1.00 1.33 H new ATOM 0 HE ARG A 70 4.283 9.924 -8.705 1.00 40.10 H new ATOM 0 HH11 ARG A 70 5.736 6.718 -8.170 1.00 13.23 H new ATOM 0 HH12 ARG A 70 6.992 6.975 -9.386 1.00 13.23 H new ATOM 0 HH21 ARG A 70 5.895 10.206 -10.241 1.00 50.50 H new ATOM 0 HH22 ARG A 70 7.079 8.932 -10.546 1.00 50.50 H new ATOM 1186 N ILE A 71 2.846 5.099 -5.498 1.00 73.33 N ATOM 1187 CA ILE A 71 3.689 4.394 -4.536 1.00 70.25 C ATOM 1188 C ILE A 71 4.864 5.327 -4.215 1.00 25.45 C ATOM 1189 O ILE A 71 5.768 5.509 -5.045 1.00 21.33 O ATOM 1190 CB ILE A 71 4.240 3.044 -5.108 1.00 23.00 C ATOM 1191 CG1 ILE A 71 3.085 2.145 -5.643 1.00 23.54 C ATOM 1192 CG2 ILE A 71 5.067 2.309 -4.030 1.00 33.43 C ATOM 1193 CD1 ILE A 71 3.553 0.935 -6.439 1.00 33.44 C ATOM 0 H ILE A 71 3.109 4.945 -6.471 1.00 73.33 H new ATOM 0 HA ILE A 71 3.102 4.146 -3.652 1.00 70.25 H new ATOM 0 HB ILE A 71 4.893 3.268 -5.951 1.00 23.00 H new ATOM 0 HG12 ILE A 71 2.487 1.801 -4.799 1.00 23.54 H new ATOM 0 HG13 ILE A 71 2.431 2.749 -6.272 1.00 23.54 H new ATOM 0 HG21 ILE A 71 5.445 1.372 -4.438 1.00 33.43 H new ATOM 0 HG22 ILE A 71 5.904 2.936 -3.724 1.00 33.43 H new ATOM 0 HG23 ILE A 71 4.435 2.100 -3.167 1.00 33.43 H new ATOM 0 HD11 ILE A 71 2.688 0.363 -6.774 1.00 33.44 H new ATOM 0 HD12 ILE A 71 4.125 1.268 -7.305 1.00 33.44 H new ATOM 0 HD13 ILE A 71 4.182 0.306 -5.809 1.00 33.44 H new ATOM 1205 N THR A 72 4.828 5.926 -3.039 1.00 30.52 N ATOM 1206 CA THR A 72 5.827 6.898 -2.611 1.00 22.15 C ATOM 1207 C THR A 72 6.815 6.216 -1.661 1.00 32.13 C ATOM 1208 O THR A 72 6.454 5.870 -0.534 1.00 11.42 O ATOM 1209 CB THR A 72 5.130 8.113 -1.914 1.00 43.20 C ATOM 1210 OG1 THR A 72 4.095 8.618 -2.774 1.00 61.23 O ATOM 1211 CG2 THR A 72 6.125 9.243 -1.591 1.00 24.04 C ATOM 0 H THR A 72 4.100 5.753 -2.346 1.00 30.52 H new ATOM 0 HA THR A 72 6.371 7.274 -3.477 1.00 22.15 H new ATOM 0 HB THR A 72 4.710 7.764 -0.971 1.00 43.20 H new ATOM 0 HG1 THR A 72 3.653 9.379 -2.342 1.00 61.23 H new ATOM 0 HG21 THR A 72 5.597 10.065 -1.108 1.00 24.04 H new ATOM 0 HG22 THR A 72 6.899 8.866 -0.922 1.00 24.04 H new ATOM 0 HG23 THR A 72 6.584 9.598 -2.514 1.00 24.04 H new ATOM 1219 N ARG A 73 8.047 5.992 -2.138 1.00 71.14 N ATOM 1220 CA ARG A 73 9.146 5.525 -1.290 1.00 11.43 C ATOM 1221 C ARG A 73 9.513 6.639 -0.296 1.00 22.15 C ATOM 1222 O ARG A 73 9.533 7.822 -0.670 1.00 43.45 O ATOM 1223 CB ARG A 73 10.387 5.163 -2.153 1.00 22.44 C ATOM 1224 CG ARG A 73 11.617 4.661 -1.344 1.00 35.33 C ATOM 1225 CD ARG A 73 12.861 4.445 -2.219 1.00 74.02 C ATOM 1226 NE ARG A 73 14.061 4.126 -1.417 1.00 41.55 N ATOM 1227 CZ ARG A 73 15.324 4.096 -1.887 1.00 1.44 C ATOM 1228 NH1 ARG A 73 15.589 4.358 -3.163 1.00 23.43 N ATOM 1229 NH2 ARG A 73 16.321 3.803 -1.064 1.00 3.23 N ATOM 0 H ARG A 73 8.306 6.129 -3.115 1.00 71.14 H new ATOM 0 HA ARG A 73 8.830 4.631 -0.752 1.00 11.43 H new ATOM 0 HB2 ARG A 73 10.102 4.393 -2.870 1.00 22.44 H new ATOM 0 HB3 ARG A 73 10.681 6.041 -2.728 1.00 22.44 H new ATOM 0 HG2 ARG A 73 11.850 5.383 -0.562 1.00 35.33 H new ATOM 0 HG3 ARG A 73 11.361 3.725 -0.847 1.00 35.33 H new ATOM 0 HD2 ARG A 73 12.671 3.635 -2.923 1.00 74.02 H new ATOM 0 HD3 ARG A 73 13.048 5.342 -2.808 1.00 74.02 H new ATOM 0 HE ARG A 73 13.922 3.912 -0.429 1.00 41.55 H new ATOM 0 HH11 ARG A 73 14.830 4.587 -3.805 1.00 23.43 H new ATOM 0 HH12 ARG A 73 16.551 4.330 -3.500 1.00 23.43 H new ATOM 0 HH21 ARG A 73 16.130 3.602 -0.082 1.00 3.23 H new ATOM 0 HH22 ARG A 73 17.279 3.778 -1.412 1.00 3.23 H new ATOM 1243 N THR A 74 9.773 6.248 0.966 1.00 21.35 N ATOM 1244 CA THR A 74 10.236 7.161 2.021 1.00 13.24 C ATOM 1245 C THR A 74 11.575 7.811 1.626 1.00 34.32 C ATOM 1246 O THR A 74 12.304 7.266 0.774 1.00 43.32 O ATOM 1247 CB THR A 74 10.381 6.424 3.396 1.00 63.43 C ATOM 1248 OG1 THR A 74 10.697 7.367 4.440 1.00 73.25 O ATOM 1249 CG2 THR A 74 11.460 5.317 3.366 1.00 45.55 C ATOM 0 H THR A 74 9.666 5.284 1.281 1.00 21.35 H new ATOM 0 HA THR A 74 9.482 7.940 2.133 1.00 13.24 H new ATOM 0 HB THR A 74 9.421 5.948 3.597 1.00 63.43 H new ATOM 0 HG1 THR A 74 10.783 6.893 5.294 1.00 73.25 H new ATOM 0 HG21 THR A 74 11.518 4.839 4.344 1.00 45.55 H new ATOM 0 HG22 THR A 74 11.197 4.573 2.614 1.00 45.55 H new ATOM 0 HG23 THR A 74 12.426 5.757 3.119 1.00 45.55 H new ATOM 1257 N VAL A 75 11.874 8.985 2.216 1.00 12.32 N ATOM 1258 CA VAL A 75 13.141 9.679 1.977 1.00 23.13 C ATOM 1259 C VAL A 75 14.296 8.778 2.444 1.00 65.11 C ATOM 1260 O VAL A 75 14.559 8.656 3.643 1.00 3.53 O ATOM 1261 CB VAL A 75 13.197 11.069 2.718 1.00 72.23 C ATOM 1262 CG1 VAL A 75 14.552 11.790 2.483 1.00 51.01 C ATOM 1263 CG2 VAL A 75 12.013 11.967 2.293 1.00 21.25 C ATOM 0 H VAL A 75 11.249 9.468 2.862 1.00 12.32 H new ATOM 0 HA VAL A 75 13.230 9.882 0.910 1.00 23.13 H new ATOM 0 HB VAL A 75 13.112 10.874 3.787 1.00 72.23 H new ATOM 0 HG11 VAL A 75 14.552 12.744 3.010 1.00 51.01 H new ATOM 0 HG12 VAL A 75 15.365 11.168 2.858 1.00 51.01 H new ATOM 0 HG13 VAL A 75 14.691 11.964 1.416 1.00 51.01 H new ATOM 0 HG21 VAL A 75 12.073 12.921 2.817 1.00 21.25 H new ATOM 0 HG22 VAL A 75 12.056 12.141 1.218 1.00 21.25 H new ATOM 0 HG23 VAL A 75 11.074 11.474 2.544 1.00 21.25 H new ATOM 1273 N GLY A 76 14.918 8.102 1.468 1.00 45.14 N ATOM 1274 CA GLY A 76 16.029 7.196 1.716 1.00 63.22 C ATOM 1275 C GLY A 76 17.356 7.885 1.480 1.00 63.41 C ATOM 1276 O GLY A 76 17.526 9.051 1.851 1.00 74.01 O ATOM 0 H GLY A 76 14.658 8.174 0.484 1.00 45.14 H new ATOM 0 HA2 GLY A 76 15.983 6.831 2.742 1.00 63.22 H new ATOM 0 HA3 GLY A 76 15.946 6.326 1.064 1.00 63.22 H new ATOM 1280 N SER A 77 18.294 7.174 0.860 1.00 10.12 N ATOM 1281 CA SER A 77 19.602 7.711 0.481 1.00 5.14 C ATOM 1282 C SER A 77 20.126 6.911 -0.708 1.00 43.13 C ATOM 1283 O SER A 77 19.620 5.804 -0.985 1.00 34.32 O ATOM 1284 CB SER A 77 20.581 7.639 1.683 1.00 22.04 C ATOM 1285 OG SER A 77 21.824 8.246 1.384 1.00 53.34 O ATOM 0 H SER A 77 18.167 6.195 0.602 1.00 10.12 H new ATOM 0 HA SER A 77 19.512 8.759 0.197 1.00 5.14 H new ATOM 0 HB2 SER A 77 20.134 8.132 2.546 1.00 22.04 H new ATOM 0 HB3 SER A 77 20.742 6.597 1.959 1.00 22.04 H new ATOM 0 HG SER A 77 22.414 8.184 2.164 1.00 53.34 H new ATOM 1291 N LEU A 78 21.120 7.473 -1.426 1.00 2.30 N ATOM 1292 CA LEU A 78 21.821 6.763 -2.494 1.00 62.44 C ATOM 1293 C LEU A 78 22.454 5.474 -1.925 1.00 14.54 C ATOM 1294 O LEU A 78 22.961 5.473 -0.796 1.00 55.00 O ATOM 1295 CB LEU A 78 22.855 7.712 -3.194 1.00 64.14 C ATOM 1296 CG LEU A 78 23.919 8.472 -2.292 1.00 35.43 C ATOM 1297 CD1 LEU A 78 25.135 7.592 -1.921 1.00 60.20 C ATOM 1298 CD2 LEU A 78 24.399 9.782 -2.961 1.00 21.44 C ATOM 0 H LEU A 78 21.451 8.426 -1.276 1.00 2.30 H new ATOM 0 HA LEU A 78 21.120 6.458 -3.271 1.00 62.44 H new ATOM 0 HB2 LEU A 78 23.404 7.121 -3.927 1.00 64.14 H new ATOM 0 HB3 LEU A 78 22.293 8.464 -3.748 1.00 64.14 H new ATOM 0 HG LEU A 78 23.399 8.717 -1.366 1.00 35.43 H new ATOM 0 HD11 LEU A 78 25.826 8.167 -1.305 1.00 60.20 H new ATOM 0 HD12 LEU A 78 24.795 6.717 -1.366 1.00 60.20 H new ATOM 0 HD13 LEU A 78 25.642 7.270 -2.831 1.00 60.20 H new ATOM 0 HD21 LEU A 78 25.126 10.275 -2.316 1.00 21.44 H new ATOM 0 HD22 LEU A 78 24.863 9.552 -3.920 1.00 21.44 H new ATOM 0 HD23 LEU A 78 23.547 10.443 -3.119 1.00 21.44 H new ATOM 1310 N GLU A 79 22.342 4.371 -2.665 1.00 75.31 N ATOM 1311 CA GLU A 79 22.811 3.056 -2.210 1.00 20.52 C ATOM 1312 C GLU A 79 24.336 2.965 -2.370 1.00 64.13 C ATOM 1313 O GLU A 79 24.899 3.602 -3.273 1.00 22.23 O ATOM 1314 CB GLU A 79 22.099 1.930 -3.017 1.00 15.02 C ATOM 1315 CG GLU A 79 22.341 0.500 -2.481 1.00 24.11 C ATOM 1316 CD GLU A 79 21.787 0.306 -1.058 1.00 21.15 C ATOM 1317 OE1 GLU A 79 22.542 0.494 -0.061 1.00 41.44 O ATOM 1318 OE2 GLU A 79 20.578 0.010 -0.931 1.00 51.43 O ATOM 0 H GLU A 79 21.925 4.360 -3.596 1.00 75.31 H new ATOM 0 HA GLU A 79 22.566 2.928 -1.156 1.00 20.52 H new ATOM 0 HB2 GLU A 79 21.027 2.126 -3.020 1.00 15.02 H new ATOM 0 HB3 GLU A 79 22.434 1.977 -4.053 1.00 15.02 H new ATOM 0 HG2 GLU A 79 21.873 -0.221 -3.152 1.00 24.11 H new ATOM 0 HG3 GLU A 79 23.411 0.290 -2.484 1.00 24.11 H new ATOM 1325 N HIS A 80 24.998 2.197 -1.475 1.00 73.41 N ATOM 1326 CA HIS A 80 26.449 1.915 -1.571 1.00 13.32 C ATOM 1327 C HIS A 80 26.694 1.123 -2.865 1.00 71.03 C ATOM 1328 O HIS A 80 26.328 -0.064 -2.939 1.00 42.45 O ATOM 1329 CB HIS A 80 26.956 1.118 -0.337 1.00 30.11 C ATOM 1330 CG HIS A 80 26.741 1.809 0.979 1.00 72.52 C ATOM 1331 ND1 HIS A 80 27.670 2.651 1.543 1.00 53.35 N ATOM 1332 CD2 HIS A 80 25.697 1.781 1.840 1.00 54.52 C ATOM 1333 CE1 HIS A 80 27.218 3.094 2.696 1.00 13.12 C ATOM 1334 NE2 HIS A 80 26.020 2.584 2.895 1.00 54.34 N ATOM 0 H HIS A 80 24.546 1.759 -0.672 1.00 73.41 H new ATOM 0 HA HIS A 80 27.002 2.854 -1.590 1.00 13.32 H new ATOM 0 HB2 HIS A 80 26.453 0.151 -0.312 1.00 30.11 H new ATOM 0 HB3 HIS A 80 28.021 0.920 -0.460 1.00 30.11 H new ATOM 0 HD2 HIS A 80 24.779 1.226 1.715 1.00 54.52 H new ATOM 0 HE1 HIS A 80 27.740 3.762 3.365 1.00 13.12 H new ATOM 0 HE2 HIS A 80 25.429 2.761 3.707 1.00 54.34 H new ATOM 1343 N HIS A 81 27.251 1.812 -3.884 1.00 55.12 N ATOM 1344 CA HIS A 81 27.310 1.300 -5.260 1.00 24.24 C ATOM 1345 C HIS A 81 28.124 -0.008 -5.351 1.00 60.24 C ATOM 1346 O HIS A 81 29.319 -0.047 -5.031 1.00 23.55 O ATOM 1347 CB HIS A 81 27.849 2.384 -6.246 1.00 41.21 C ATOM 1348 CG HIS A 81 29.196 2.985 -5.904 1.00 54.43 C ATOM 1349 ND1 HIS A 81 29.333 4.088 -5.094 1.00 44.22 N ATOM 1350 CD2 HIS A 81 30.457 2.660 -6.296 1.00 0.24 C ATOM 1351 CE1 HIS A 81 30.601 4.410 -4.999 1.00 53.15 C ATOM 1352 NE2 HIS A 81 31.306 3.564 -5.715 1.00 24.45 N ATOM 0 H HIS A 81 27.670 2.735 -3.771 1.00 55.12 H new ATOM 0 HA HIS A 81 26.290 1.061 -5.561 1.00 24.24 H new ATOM 0 HB2 HIS A 81 27.913 1.942 -7.240 1.00 41.21 H new ATOM 0 HB3 HIS A 81 27.118 3.190 -6.302 1.00 41.21 H new ATOM 0 HD2 HIS A 81 30.736 1.842 -6.944 1.00 0.24 H new ATOM 0 HE1 HIS A 81 31.000 5.235 -4.427 1.00 53.15 H new ATOM 0 HE2 HIS A 81 32.320 3.578 -5.821 1.00 24.45 H new ATOM 1361 N HIS A 82 27.433 -1.081 -5.783 1.00 12.33 N ATOM 1362 CA HIS A 82 28.064 -2.381 -6.092 1.00 44.11 C ATOM 1363 C HIS A 82 28.737 -2.329 -7.481 1.00 12.24 C ATOM 1364 O HIS A 82 29.451 -3.258 -7.857 1.00 2.24 O ATOM 1365 CB HIS A 82 27.037 -3.545 -5.991 1.00 22.14 C ATOM 1366 CG HIS A 82 25.875 -3.497 -6.955 1.00 45.45 C ATOM 1367 ND1 HIS A 82 24.660 -2.947 -6.624 1.00 3.22 N ATOM 1368 CD2 HIS A 82 25.740 -3.953 -8.226 1.00 64.45 C ATOM 1369 CE1 HIS A 82 23.827 -3.072 -7.636 1.00 32.23 C ATOM 1370 NE2 HIS A 82 24.460 -3.675 -8.621 1.00 1.53 N ATOM 0 H HIS A 82 26.423 -1.072 -5.928 1.00 12.33 H new ATOM 0 HA HIS A 82 28.837 -2.577 -5.349 1.00 44.11 H new ATOM 0 HB2 HIS A 82 27.569 -4.484 -6.142 1.00 22.14 H new ATOM 0 HB3 HIS A 82 26.639 -3.564 -4.976 1.00 22.14 H new ATOM 0 HD2 HIS A 82 26.501 -4.444 -8.815 1.00 64.45 H new ATOM 0 HE1 HIS A 82 22.800 -2.737 -7.655 1.00 32.23 H new ATOM 0 HE2 HIS A 82 24.060 -3.899 -9.532 1.00 1.53 H new ATOM 1379 N HIS A 83 28.460 -1.225 -8.224 1.00 34.15 N ATOM 1380 CA HIS A 83 29.168 -0.847 -9.458 1.00 53.00 C ATOM 1381 C HIS A 83 30.664 -0.691 -9.167 1.00 14.14 C ATOM 1382 O HIS A 83 31.075 0.245 -8.474 1.00 4.23 O ATOM 1383 CB HIS A 83 28.580 0.479 -10.031 1.00 61.13 C ATOM 1384 CG HIS A 83 29.339 1.044 -11.209 1.00 65.03 C ATOM 1385 ND1 HIS A 83 29.316 0.476 -12.461 1.00 42.51 N ATOM 1386 CD2 HIS A 83 30.168 2.111 -11.308 1.00 11.31 C ATOM 1387 CE1 HIS A 83 30.091 1.165 -13.272 1.00 12.11 C ATOM 1388 NE2 HIS A 83 30.621 2.159 -12.594 1.00 72.22 N ATOM 0 H HIS A 83 27.724 -0.566 -7.970 1.00 34.15 H new ATOM 0 HA HIS A 83 29.034 -1.631 -10.203 1.00 53.00 H new ATOM 0 HB2 HIS A 83 27.547 0.304 -10.331 1.00 61.13 H new ATOM 0 HB3 HIS A 83 28.559 1.225 -9.237 1.00 61.13 H new ATOM 0 HD2 HIS A 83 30.423 2.798 -10.514 1.00 11.31 H new ATOM 0 HE1 HIS A 83 30.262 0.950 -14.316 1.00 12.11 H new ATOM 0 HE2 HIS A 83 31.267 2.854 -12.969 1.00 72.22 H new ATOM 1397 N HIS A 84 31.457 -1.637 -9.677 1.00 5.24 N ATOM 1398 CA HIS A 84 32.903 -1.699 -9.443 1.00 22.30 C ATOM 1399 C HIS A 84 33.640 -1.953 -10.763 1.00 75.14 C ATOM 1400 O HIS A 84 33.631 -3.076 -11.287 1.00 41.22 O ATOM 1401 CB HIS A 84 33.230 -2.782 -8.374 1.00 51.13 C ATOM 1402 CG HIS A 84 32.773 -2.414 -6.979 1.00 75.22 C ATOM 1403 ND1 HIS A 84 31.921 -3.191 -6.224 1.00 45.13 N ATOM 1404 CD2 HIS A 84 33.066 -1.337 -6.210 1.00 73.31 C ATOM 1405 CE1 HIS A 84 31.708 -2.608 -5.063 1.00 43.30 C ATOM 1406 NE2 HIS A 84 32.390 -1.484 -5.032 1.00 44.30 N ATOM 0 H HIS A 84 31.110 -2.390 -10.271 1.00 5.24 H new ATOM 0 HA HIS A 84 33.248 -0.742 -9.053 1.00 22.30 H new ATOM 0 HB2 HIS A 84 32.760 -3.721 -8.665 1.00 51.13 H new ATOM 0 HB3 HIS A 84 34.306 -2.954 -8.361 1.00 51.13 H new ATOM 0 HD2 HIS A 84 33.713 -0.515 -6.479 1.00 73.31 H new ATOM 0 HE1 HIS A 84 31.080 -2.988 -4.271 1.00 43.30 H new ATOM 0 HE2 HIS A 84 32.411 -0.827 -4.252 1.00 44.30 H new ATOM 1415 N HIS A 85 34.240 -0.878 -11.312 1.00 50.12 N ATOM 1416 CA HIS A 85 35.065 -0.916 -12.536 1.00 55.21 C ATOM 1417 C HIS A 85 36.058 0.280 -12.480 1.00 5.01 C ATOM 1418 O HIS A 85 35.748 1.369 -13.008 1.00 22.32 O ATOM 1419 CB HIS A 85 34.162 -0.898 -13.821 1.00 1.24 C ATOM 1420 CG HIS A 85 34.916 -1.064 -15.122 1.00 72.13 C ATOM 1421 ND1 HIS A 85 35.152 -2.291 -15.701 1.00 33.53 N ATOM 1422 CD2 HIS A 85 35.480 -0.155 -15.957 1.00 72.24 C ATOM 1423 CE1 HIS A 85 35.823 -2.130 -16.820 1.00 53.13 C ATOM 1424 NE2 HIS A 85 36.036 -0.844 -16.997 1.00 4.25 N ATOM 1425 OXT HIS A 85 37.109 0.146 -11.834 1.00 36.94 O ATOM 0 H HIS A 85 34.164 0.057 -10.911 1.00 50.12 H new ATOM 0 HA HIS A 85 35.635 -1.844 -12.590 1.00 55.21 H new ATOM 0 HB2 HIS A 85 33.422 -1.695 -13.741 1.00 1.24 H new ATOM 0 HB3 HIS A 85 33.614 0.044 -13.851 1.00 1.24 H new ATOM 0 HD2 HIS A 85 35.488 0.917 -15.824 1.00 72.24 H new ATOM 0 HE1 HIS A 85 36.145 -2.920 -17.482 1.00 53.13 H new ATOM 0 HE2 HIS A 85 36.535 -0.429 -17.783 1.00 4.25 H new TER 1434 HIS A 85