USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 3 SER OG : rot 87:sc= 1.09 USER MOD Set 1.2: A 74 ASN : amide:sc= 1.14 K(o=2.2,f=-3.8!) USER MOD Set 2.1: A 65 ASN : amide:sc= -2.21 K(o=-2.2,f=0.45) USER MOD Set 2.2: A 70 TYR OH : rot 70:sc= 0.0565 USER MOD Set 3.1: A 62 LYS NZ :NH3+ -157:sc= 0.848 (180deg=-0.155) USER MOD Set 3.2: A 64 SER OG : rot -167:sc= -0.759! USER MOD Set 4.1: A 12 GLN : amide:sc= -0.307! C(o=-0.31!,f=-8.4!) USER MOD Set 4.2: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.1) USER MOD Single : A 10 ASN : amide:sc= -3.51! C(o=-3.5!,f=-2.6!) USER MOD Single : A 11 MET CE :methyl -137:sc= -0.68 (180deg=-3.23!) USER MOD Single : A 15 THR OG1 : rot -155:sc= 1.08 USER MOD Single : A 18 LYS NZ :NH3+ 148:sc= -1.01 (180deg=-3.49!) USER MOD Single : A 20 ASN : amide:sc= 0.0634 X(o=0.063,f=-0.25) USER MOD Single : A 22 GLN : amide:sc= -0.0766 X(o=-0.077,f=-0.25) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 33 GLN : amide:sc= -1.98! K(o=-2!,f=-0.74) USER MOD Single : A 35 SER OG : rot -66:sc= 1.05 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 136:sc= -1.12 (180deg=-4.14!) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 45 THR OG1 : rot -64:sc= -0.568 USER MOD Single : A 47 MET CE :methyl -110:sc= -0.66 (180deg=-2.38!) USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.08) USER MOD Single : A 52 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.7) USER MOD Single : A 53 LYS NZ :NH3+ -139:sc= -3.63! (180deg=-7.96!) USER MOD Single : A 55 GLN : amide:sc= -0.674 X(o=-0.67,f=-0.67) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.97! K(o=-2!,f=-0.049) USER MOD Single : A 72 MET CE :methyl 180:sc= -0.622 (180deg=-0.622) USER MOD Single : A 79 HIS : no HD1:sc= -0.465 X(o=-0.46,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.694 -1.103 -0.766 1.00 0.00 N ATOM 2 CA PRO A 1 1.699 -0.989 -1.845 1.00 0.00 C ATOM 3 C PRO A 1 1.812 -2.307 -2.598 1.00 0.00 C ATOM 4 O PRO A 1 1.137 -3.277 -2.258 1.00 0.00 O ATOM 5 CB PRO A 1 3.037 -0.610 -1.235 1.00 0.00 C ATOM 6 CG PRO A 1 2.842 -0.873 0.215 1.00 0.00 C ATOM 7 CD PRO A 1 1.366 -0.680 0.479 1.00 0.00 C ATOM 0 H2 PRO A 1 0.353 -2.061 -0.687 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.115 -0.513 -0.960 1.00 0.00 H new ATOM 0 HA PRO A 1 1.393 -0.218 -2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.850 -1.209 -1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.283 0.435 -1.424 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.156 -1.884 0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.439 -0.190 0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.036 -1.278 1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.140 0.360 0.715 1.00 0.00 H new ATOM 17 N VAL A 2 2.671 -2.349 -3.607 1.00 0.00 N ATOM 18 CA VAL A 2 2.809 -3.541 -4.433 1.00 0.00 C ATOM 19 C VAL A 2 4.242 -4.046 -4.417 1.00 0.00 C ATOM 20 O VAL A 2 5.180 -3.285 -4.153 1.00 0.00 O ATOM 21 CB VAL A 2 2.377 -3.295 -5.899 1.00 0.00 C ATOM 22 CG1 VAL A 2 0.968 -2.735 -5.957 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.350 -2.372 -6.615 1.00 0.00 C ATOM 0 H VAL A 2 3.280 -1.575 -3.873 1.00 0.00 H new ATOM 0 HA VAL A 2 2.146 -4.292 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 2 2.388 -4.256 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.685 -2.570 -6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.276 -3.443 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.930 -1.790 -5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.018 -2.220 -7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.387 -1.412 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.343 -2.821 -6.618 1.00 0.00 H new ATOM 33 N SER A 3 4.412 -5.324 -4.694 1.00 0.00 N ATOM 34 CA SER A 3 5.730 -5.919 -4.708 1.00 0.00 C ATOM 35 C SER A 3 6.406 -5.654 -6.042 1.00 0.00 C ATOM 36 O SER A 3 5.835 -5.920 -7.100 1.00 0.00 O ATOM 37 CB SER A 3 5.640 -7.423 -4.453 1.00 0.00 C ATOM 38 OG SER A 3 4.801 -7.702 -3.344 1.00 0.00 O ATOM 0 H SER A 3 3.652 -5.969 -4.912 1.00 0.00 H new ATOM 0 HA SER A 3 6.325 -5.468 -3.914 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.253 -7.923 -5.341 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.637 -7.824 -4.269 1.00 0.00 H new ATOM 0 HG SER A 3 3.871 -7.769 -3.646 1.00 0.00 H new ATOM 44 N ILE A 4 7.606 -5.114 -5.992 1.00 0.00 N ATOM 45 CA ILE A 4 8.368 -4.839 -7.197 1.00 0.00 C ATOM 46 C ILE A 4 9.780 -5.379 -7.077 1.00 0.00 C ATOM 47 O ILE A 4 10.431 -5.236 -6.040 1.00 0.00 O ATOM 48 CB ILE A 4 8.421 -3.335 -7.513 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.660 -2.528 -6.242 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.139 -2.893 -8.195 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.873 -1.054 -6.494 1.00 0.00 C ATOM 0 H ILE A 4 8.079 -4.855 -5.126 1.00 0.00 H new ATOM 0 HA ILE A 4 7.855 -5.343 -8.016 1.00 0.00 H new ATOM 0 HB ILE A 4 9.253 -3.154 -8.193 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.807 -2.655 -5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.531 -2.930 -5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.192 -1.826 -8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.012 -3.447 -9.125 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.291 -3.088 -7.538 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.037 -0.543 -5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.744 -0.917 -7.135 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.992 -0.638 -6.983 1.00 0.00 H new ATOM 63 N LYS A 5 10.252 -6.002 -8.138 1.00 0.00 N ATOM 64 CA LYS A 5 11.535 -6.673 -8.105 1.00 0.00 C ATOM 65 C LYS A 5 12.448 -6.137 -9.184 1.00 0.00 C ATOM 66 O LYS A 5 12.000 -5.780 -10.271 1.00 0.00 O ATOM 67 CB LYS A 5 11.344 -8.171 -8.300 1.00 0.00 C ATOM 68 CG LYS A 5 10.160 -8.713 -7.532 1.00 0.00 C ATOM 69 CD LYS A 5 9.798 -10.112 -7.976 1.00 0.00 C ATOM 70 CE LYS A 5 8.297 -10.310 -7.932 1.00 0.00 C ATOM 71 NZ LYS A 5 7.911 -11.741 -8.088 1.00 0.00 N ATOM 0 H LYS A 5 9.766 -6.057 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 5 11.993 -6.487 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.210 -8.381 -9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.247 -8.693 -7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.389 -8.717 -6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.303 -8.054 -7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.164 -10.285 -8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.286 -10.843 -7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.911 -9.933 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.832 -9.722 -8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.875 -11.827 -8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.256 -12.096 -9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.332 -12.300 -7.319 1.00 0.00 H new ATOM 85 N VAL A 6 13.724 -6.086 -8.876 1.00 0.00 N ATOM 86 CA VAL A 6 14.725 -5.650 -9.832 1.00 0.00 C ATOM 87 C VAL A 6 15.712 -6.780 -10.086 1.00 0.00 C ATOM 88 O VAL A 6 16.503 -7.140 -9.210 1.00 0.00 O ATOM 89 CB VAL A 6 15.490 -4.398 -9.345 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.438 -3.899 -10.424 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.518 -3.298 -8.935 1.00 0.00 C ATOM 0 H VAL A 6 14.099 -6.343 -7.963 1.00 0.00 H new ATOM 0 HA VAL A 6 14.207 -5.384 -10.753 1.00 0.00 H new ATOM 0 HB VAL A 6 16.079 -4.676 -8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.968 -3.017 -10.063 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.158 -4.681 -10.666 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.869 -3.640 -11.317 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.077 -2.426 -8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.899 -3.022 -9.789 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.881 -3.658 -8.127 1.00 0.00 H new ATOM 101 N GLN A 7 15.631 -7.365 -11.270 1.00 0.00 N ATOM 102 CA GLN A 7 16.514 -8.451 -11.644 1.00 0.00 C ATOM 103 C GLN A 7 17.900 -7.905 -11.934 1.00 0.00 C ATOM 104 O GLN A 7 18.136 -7.302 -12.978 1.00 0.00 O ATOM 105 CB GLN A 7 15.971 -9.202 -12.866 1.00 0.00 C ATOM 106 CG GLN A 7 16.211 -10.699 -12.813 1.00 0.00 C ATOM 107 CD GLN A 7 17.677 -11.055 -12.904 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.192 -11.363 -13.977 1.00 0.00 O ATOM 109 NE2 GLN A 7 18.364 -10.940 -11.788 1.00 0.00 N ATOM 0 H GLN A 7 14.958 -7.102 -11.990 1.00 0.00 H new ATOM 0 HA GLN A 7 16.571 -9.156 -10.814 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.900 -9.017 -12.950 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.436 -8.799 -13.766 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.801 -11.097 -11.885 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.673 -11.179 -13.630 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.891 -10.682 -10.922 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.370 -11.109 -11.789 1.00 0.00 H new ATOM 118 N VAL A 8 18.799 -8.113 -10.995 1.00 0.00 N ATOM 119 CA VAL A 8 20.158 -7.638 -11.109 1.00 0.00 C ATOM 120 C VAL A 8 20.956 -8.527 -12.060 1.00 0.00 C ATOM 121 O VAL A 8 20.918 -9.746 -11.938 1.00 0.00 O ATOM 122 CB VAL A 8 20.830 -7.616 -9.721 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.244 -7.087 -9.810 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.009 -6.789 -8.745 1.00 0.00 C ATOM 0 H VAL A 8 18.605 -8.618 -10.130 1.00 0.00 H new ATOM 0 HA VAL A 8 20.138 -6.625 -11.511 1.00 0.00 H new ATOM 0 HB VAL A 8 20.878 -8.641 -9.352 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.694 -7.082 -8.817 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.830 -7.725 -10.471 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.228 -6.072 -10.206 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.498 -6.784 -7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 8 19.926 -5.767 -9.114 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.013 -7.222 -8.649 1.00 0.00 H new ATOM 134 N PRO A 9 21.680 -7.934 -13.024 1.00 0.00 N ATOM 135 CA PRO A 9 22.482 -8.702 -13.981 1.00 0.00 C ATOM 136 C PRO A 9 23.653 -9.420 -13.309 1.00 0.00 C ATOM 137 O PRO A 9 24.121 -9.013 -12.239 1.00 0.00 O ATOM 138 CB PRO A 9 22.985 -7.643 -14.965 1.00 0.00 C ATOM 139 CG PRO A 9 22.919 -6.355 -14.222 1.00 0.00 C ATOM 140 CD PRO A 9 21.768 -6.484 -13.264 1.00 0.00 C ATOM 0 HA PRO A 9 21.902 -9.493 -14.457 1.00 0.00 H new ATOM 0 HB2 PRO A 9 24.003 -7.859 -15.289 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.365 -7.613 -15.861 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.850 -6.165 -13.689 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.766 -5.519 -14.904 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.951 -5.935 -12.340 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.845 -6.091 -13.691 1.00 0.00 H new ATOM 148 N ASN A 10 24.117 -10.490 -13.934 1.00 0.00 N ATOM 149 CA ASN A 10 25.197 -11.297 -13.383 1.00 0.00 C ATOM 150 C ASN A 10 26.550 -10.680 -13.707 1.00 0.00 C ATOM 151 O ASN A 10 27.185 -11.044 -14.696 1.00 0.00 O ATOM 152 CB ASN A 10 25.151 -12.726 -13.943 1.00 0.00 C ATOM 153 CG ASN A 10 23.970 -13.538 -13.450 1.00 0.00 C ATOM 154 OD1 ASN A 10 22.880 -13.480 -14.024 1.00 0.00 O ATOM 155 ND2 ASN A 10 24.177 -14.320 -12.400 1.00 0.00 N ATOM 0 H ASN A 10 23.760 -10.823 -14.830 1.00 0.00 H new ATOM 0 HA ASN A 10 25.064 -11.330 -12.302 1.00 0.00 H new ATOM 0 HB2 ASN A 10 25.119 -12.679 -15.032 1.00 0.00 H new ATOM 0 HB3 ASN A 10 26.073 -13.242 -13.673 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.420 -14.901 -12.040 1.00 0.00 H new ATOM 0 HD22 ASN A 10 25.093 -14.340 -11.952 1.00 0.00 H new ATOM 162 N MET A 11 26.982 -9.726 -12.893 1.00 0.00 N ATOM 163 CA MET A 11 28.291 -9.122 -13.078 1.00 0.00 C ATOM 164 C MET A 11 28.978 -8.956 -11.736 1.00 0.00 C ATOM 165 O MET A 11 29.090 -7.851 -11.209 1.00 0.00 O ATOM 166 CB MET A 11 28.170 -7.773 -13.795 1.00 0.00 C ATOM 167 CG MET A 11 28.100 -7.900 -15.312 1.00 0.00 C ATOM 168 SD MET A 11 28.377 -6.339 -16.179 1.00 0.00 S ATOM 169 CE MET A 11 26.950 -5.396 -15.662 1.00 0.00 C ATOM 0 H MET A 11 26.449 -9.357 -12.105 1.00 0.00 H new ATOM 0 HA MET A 11 28.895 -9.781 -13.702 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.277 -7.259 -13.439 1.00 0.00 H new ATOM 0 HB3 MET A 11 29.024 -7.150 -13.529 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.842 -8.627 -15.643 1.00 0.00 H new ATOM 0 HG3 MET A 11 27.122 -8.293 -15.591 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.536 -4.863 -16.518 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.196 -6.070 -15.256 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.246 -4.679 -14.896 1.00 0.00 H new ATOM 179 N GLN A 12 29.458 -10.073 -11.209 1.00 0.00 N ATOM 180 CA GLN A 12 29.984 -10.134 -9.853 1.00 0.00 C ATOM 181 C GLN A 12 31.398 -9.595 -9.803 1.00 0.00 C ATOM 182 O GLN A 12 31.746 -8.776 -8.958 1.00 0.00 O ATOM 183 CB GLN A 12 29.986 -11.581 -9.342 1.00 0.00 C ATOM 184 CG GLN A 12 28.743 -12.353 -9.734 1.00 0.00 C ATOM 185 CD GLN A 12 28.841 -12.937 -11.127 1.00 0.00 C ATOM 186 OE1 GLN A 12 29.637 -12.498 -11.960 1.00 0.00 O ATOM 187 NE2 GLN A 12 27.990 -13.878 -11.419 1.00 0.00 N ATOM 0 H GLN A 12 29.494 -10.962 -11.709 1.00 0.00 H new ATOM 0 HA GLN A 12 29.341 -9.523 -9.219 1.00 0.00 H new ATOM 0 HB2 GLN A 12 30.864 -12.096 -9.732 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.075 -11.576 -8.256 1.00 0.00 H new ATOM 0 HG2 GLN A 12 28.577 -13.157 -9.017 1.00 0.00 H new ATOM 0 HG3 GLN A 12 27.877 -11.693 -9.680 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.344 -14.220 -10.708 1.00 0.00 H new ATOM 0 HE22 GLN A 12 27.969 -14.273 -12.359 1.00 0.00 H new ATOM 196 N ASP A 13 32.200 -10.063 -10.739 1.00 0.00 N ATOM 197 CA ASP A 13 33.588 -9.652 -10.845 1.00 0.00 C ATOM 198 C ASP A 13 33.817 -9.029 -12.210 1.00 0.00 C ATOM 199 O ASP A 13 34.941 -8.776 -12.623 1.00 0.00 O ATOM 200 CB ASP A 13 34.503 -10.862 -10.641 1.00 0.00 C ATOM 201 CG ASP A 13 35.943 -10.476 -10.377 1.00 0.00 C ATOM 202 OD1 ASP A 13 36.197 -9.788 -9.366 1.00 0.00 O ATOM 203 OD2 ASP A 13 36.829 -10.892 -11.152 1.00 0.00 O ATOM 0 H ASP A 13 31.910 -10.738 -11.447 1.00 0.00 H new ATOM 0 HA ASP A 13 33.819 -8.915 -10.075 1.00 0.00 H new ATOM 0 HB2 ASP A 13 34.132 -11.454 -9.805 1.00 0.00 H new ATOM 0 HB3 ASP A 13 34.459 -11.497 -11.526 1.00 0.00 H new ATOM 208 N LYS A 14 32.718 -8.782 -12.909 1.00 0.00 N ATOM 209 CA LYS A 14 32.776 -8.280 -14.275 1.00 0.00 C ATOM 210 C LYS A 14 32.703 -6.756 -14.270 1.00 0.00 C ATOM 211 O LYS A 14 32.777 -6.114 -15.317 1.00 0.00 O ATOM 212 CB LYS A 14 31.622 -8.852 -15.119 1.00 0.00 C ATOM 213 CG LYS A 14 31.193 -10.266 -14.734 1.00 0.00 C ATOM 214 CD LYS A 14 32.349 -11.255 -14.805 1.00 0.00 C ATOM 215 CE LYS A 14 32.015 -12.562 -14.094 1.00 0.00 C ATOM 216 NZ LYS A 14 30.945 -13.339 -14.782 1.00 0.00 N ATOM 0 H LYS A 14 31.773 -8.921 -12.552 1.00 0.00 H new ATOM 0 HA LYS A 14 33.720 -8.599 -14.718 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.762 -8.189 -15.031 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.920 -8.850 -16.167 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.785 -10.258 -13.723 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.394 -10.595 -15.398 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.590 -11.459 -15.848 1.00 0.00 H new ATOM 0 HD3 LYS A 14 33.236 -10.811 -14.354 1.00 0.00 H new ATOM 0 HE2 LYS A 14 32.915 -13.173 -14.027 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.700 -12.344 -13.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 30.760 -14.216 -14.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 30.075 -12.770 -14.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 31.252 -13.573 -15.747 1.00 0.00 H new ATOM 230 N THR A 15 32.559 -6.187 -13.081 1.00 0.00 N ATOM 231 CA THR A 15 32.403 -4.749 -12.938 1.00 0.00 C ATOM 232 C THR A 15 32.560 -4.331 -11.473 1.00 0.00 C ATOM 233 O THR A 15 32.834 -5.167 -10.609 1.00 0.00 O ATOM 234 CB THR A 15 31.029 -4.287 -13.482 1.00 0.00 C ATOM 235 OG1 THR A 15 30.949 -2.855 -13.504 1.00 0.00 O ATOM 236 CG2 THR A 15 29.895 -4.856 -12.642 1.00 0.00 C ATOM 0 H THR A 15 32.547 -6.702 -12.201 1.00 0.00 H new ATOM 0 HA THR A 15 33.186 -4.266 -13.523 1.00 0.00 H new ATOM 0 HB THR A 15 30.930 -4.661 -14.501 1.00 0.00 H new ATOM 0 HG1 THR A 15 30.010 -2.579 -13.459 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.940 -4.518 -13.043 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.934 -5.945 -12.668 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.998 -4.513 -11.612 1.00 0.00 H new ATOM 244 N GLU A 16 32.371 -3.044 -11.206 1.00 0.00 N ATOM 245 CA GLU A 16 32.585 -2.479 -9.879 1.00 0.00 C ATOM 246 C GLU A 16 31.325 -2.552 -9.022 1.00 0.00 C ATOM 247 O GLU A 16 31.376 -2.361 -7.809 1.00 0.00 O ATOM 248 CB GLU A 16 33.035 -1.020 -10.007 1.00 0.00 C ATOM 249 CG GLU A 16 32.099 -0.171 -10.861 1.00 0.00 C ATOM 250 CD GLU A 16 32.470 1.295 -10.873 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.470 1.655 -11.527 1.00 0.00 O ATOM 252 OE2 GLU A 16 31.768 2.098 -10.219 1.00 0.00 O ATOM 0 H GLU A 16 32.066 -2.364 -11.902 1.00 0.00 H new ATOM 0 HA GLU A 16 33.359 -3.068 -9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.106 -0.581 -9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.035 -0.992 -10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.107 -0.550 -11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.080 -0.278 -10.489 1.00 0.00 H new ATOM 259 N TRP A 17 30.207 -2.854 -9.656 1.00 0.00 N ATOM 260 CA TRP A 17 28.911 -2.802 -8.986 1.00 0.00 C ATOM 261 C TRP A 17 28.615 -4.096 -8.238 1.00 0.00 C ATOM 262 O TRP A 17 29.240 -5.126 -8.481 1.00 0.00 O ATOM 263 CB TRP A 17 27.802 -2.535 -10.000 1.00 0.00 C ATOM 264 CG TRP A 17 28.090 -1.369 -10.886 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.434 -0.110 -10.495 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.061 -1.356 -12.314 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.634 0.682 -11.596 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.408 -0.059 -12.727 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.776 -2.317 -13.286 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.479 0.295 -14.070 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.847 -1.962 -14.617 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.197 -0.666 -14.998 1.00 0.00 C ATOM 0 H TRP A 17 30.165 -3.139 -10.635 1.00 0.00 H new ATOM 0 HA TRP A 17 28.949 -1.989 -8.261 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.657 -3.424 -10.614 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.867 -2.358 -9.469 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.534 0.216 -9.470 1.00 0.00 H new ATOM 0 HE1 TRP A 17 28.907 1.665 -11.577 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.504 -3.322 -13.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.748 1.297 -14.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.628 -2.699 -15.376 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.246 -0.418 -16.048 1.00 0.00 H new ATOM 283 N LYS A 18 27.634 -4.033 -7.347 1.00 0.00 N ATOM 284 CA LYS A 18 27.243 -5.173 -6.525 1.00 0.00 C ATOM 285 C LYS A 18 26.293 -6.097 -7.291 1.00 0.00 C ATOM 286 O LYS A 18 25.453 -6.780 -6.713 1.00 0.00 O ATOM 287 CB LYS A 18 26.587 -4.663 -5.232 1.00 0.00 C ATOM 288 CG LYS A 18 25.198 -4.072 -5.433 1.00 0.00 C ATOM 289 CD LYS A 18 24.129 -5.036 -4.943 1.00 0.00 C ATOM 290 CE LYS A 18 22.902 -5.027 -5.833 1.00 0.00 C ATOM 291 NZ LYS A 18 22.056 -3.834 -5.568 1.00 0.00 N ATOM 0 H LYS A 18 27.086 -3.190 -7.173 1.00 0.00 H new ATOM 0 HA LYS A 18 28.130 -5.753 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.521 -5.487 -4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.231 -3.906 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.118 -3.128 -4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.040 -3.852 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.541 -6.044 -4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.841 -4.770 -3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.208 -5.034 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.320 -5.933 -5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.583 -3.542 -6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.340 -4.068 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.652 -3.056 -5.220 1.00 0.00 H new ATOM 305 N LEU A 19 26.435 -6.141 -8.595 1.00 0.00 N ATOM 306 CA LEU A 19 25.550 -6.946 -9.408 1.00 0.00 C ATOM 307 C LEU A 19 25.986 -8.410 -9.331 1.00 0.00 C ATOM 308 O LEU A 19 27.143 -8.717 -9.554 1.00 0.00 O ATOM 309 CB LEU A 19 25.585 -6.466 -10.859 1.00 0.00 C ATOM 310 CG LEU A 19 25.502 -4.951 -11.044 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.466 -4.594 -12.514 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.292 -4.390 -10.330 1.00 0.00 C ATOM 0 H LEU A 19 27.150 -5.632 -9.115 1.00 0.00 H new ATOM 0 HA LEU A 19 24.530 -6.850 -9.035 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.505 -6.823 -11.321 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.758 -6.928 -11.398 1.00 0.00 H new ATOM 0 HG LEU A 19 26.394 -4.505 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.407 -3.511 -12.624 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.371 -4.959 -12.999 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.594 -5.054 -12.979 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.252 -3.310 -10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.388 -4.844 -10.735 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.363 -4.611 -9.265 1.00 0.00 H new ATOM 324 N ASN A 20 25.077 -9.313 -9.000 1.00 0.00 N ATOM 325 CA ASN A 20 25.456 -10.716 -8.820 1.00 0.00 C ATOM 326 C ASN A 20 24.435 -11.648 -9.442 1.00 0.00 C ATOM 327 O ASN A 20 24.368 -12.825 -9.098 1.00 0.00 O ATOM 328 CB ASN A 20 25.617 -11.043 -7.330 1.00 0.00 C ATOM 329 CG ASN A 20 26.824 -10.370 -6.710 1.00 0.00 C ATOM 330 OD1 ASN A 20 27.887 -10.971 -6.558 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.670 -9.102 -6.387 1.00 0.00 N ATOM 0 H ASN A 20 24.088 -9.111 -8.852 1.00 0.00 H new ATOM 0 HA ASN A 20 26.410 -10.866 -9.325 1.00 0.00 H new ATOM 0 HB2 ASN A 20 24.719 -10.733 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 20 25.705 -12.122 -7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.451 -8.578 -5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 20 25.770 -8.645 -6.531 1.00 0.00 H new ATOM 338 N GLY A 21 23.648 -11.125 -10.367 1.00 0.00 N ATOM 339 CA GLY A 21 22.623 -11.933 -10.998 1.00 0.00 C ATOM 340 C GLY A 21 21.439 -12.162 -10.087 1.00 0.00 C ATOM 341 O GLY A 21 20.487 -12.849 -10.454 1.00 0.00 O ATOM 0 H GLY A 21 23.698 -10.160 -10.693 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.287 -11.443 -11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.047 -12.894 -11.289 1.00 0.00 H new ATOM 345 N GLN A 22 21.505 -11.581 -8.896 1.00 0.00 N ATOM 346 CA GLN A 22 20.463 -11.747 -7.897 1.00 0.00 C ATOM 347 C GLN A 22 19.250 -10.892 -8.243 1.00 0.00 C ATOM 348 O GLN A 22 19.263 -10.127 -9.202 1.00 0.00 O ATOM 349 CB GLN A 22 20.996 -11.368 -6.513 1.00 0.00 C ATOM 350 CG GLN A 22 21.208 -9.875 -6.348 1.00 0.00 C ATOM 351 CD GLN A 22 22.474 -9.534 -5.601 1.00 0.00 C ATOM 352 OE1 GLN A 22 22.907 -10.250 -4.702 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.084 -8.441 -6.006 1.00 0.00 N ATOM 0 H GLN A 22 22.278 -10.986 -8.599 1.00 0.00 H new ATOM 0 HA GLN A 22 20.158 -12.793 -7.885 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.297 -11.716 -5.753 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.940 -11.885 -6.339 1.00 0.00 H new ATOM 0 HG2 GLN A 22 21.237 -9.408 -7.332 1.00 0.00 H new ATOM 0 HG3 GLN A 22 20.355 -9.450 -5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.682 -7.881 -6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 22 23.959 -8.154 -5.568 1.00 0.00 H new ATOM 362 N VAL A 23 18.217 -11.017 -7.446 1.00 0.00 N ATOM 363 CA VAL A 23 16.981 -10.283 -7.658 1.00 0.00 C ATOM 364 C VAL A 23 16.619 -9.507 -6.404 1.00 0.00 C ATOM 365 O VAL A 23 16.508 -10.083 -5.318 1.00 0.00 O ATOM 366 CB VAL A 23 15.810 -11.223 -8.027 1.00 0.00 C ATOM 367 CG1 VAL A 23 14.532 -10.427 -8.253 1.00 0.00 C ATOM 368 CG2 VAL A 23 16.149 -12.046 -9.260 1.00 0.00 C ATOM 0 H VAL A 23 18.204 -11.629 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 23 17.146 -9.599 -8.491 1.00 0.00 H new ATOM 0 HB VAL A 23 15.647 -11.905 -7.193 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.721 -11.107 -8.512 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.275 -9.885 -7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.684 -9.718 -9.067 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.312 -12.700 -9.502 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.343 -11.379 -10.100 1.00 0.00 H new ATOM 0 HG23 VAL A 23 17.035 -12.649 -9.063 1.00 0.00 H new ATOM 378 N LEU A 24 16.461 -8.203 -6.546 1.00 0.00 N ATOM 379 CA LEU A 24 16.069 -7.366 -5.424 1.00 0.00 C ATOM 380 C LEU A 24 14.557 -7.314 -5.331 1.00 0.00 C ATOM 381 O LEU A 24 13.875 -7.178 -6.342 1.00 0.00 O ATOM 382 CB LEU A 24 16.616 -5.951 -5.578 1.00 0.00 C ATOM 383 CG LEU A 24 18.121 -5.846 -5.834 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.549 -4.387 -5.905 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.907 -6.586 -4.758 1.00 0.00 C ATOM 0 H LEU A 24 16.597 -7.701 -7.424 1.00 0.00 H new ATOM 0 HA LEU A 24 16.483 -7.800 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.091 -5.466 -6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.380 -5.389 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 24 18.338 -6.315 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.622 -4.331 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.017 -3.891 -6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.315 -3.893 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.974 -6.497 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.686 -6.152 -3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.624 -7.639 -4.759 1.00 0.00 H new ATOM 397 N VAL A 25 14.038 -7.422 -4.126 1.00 0.00 N ATOM 398 CA VAL A 25 12.604 -7.410 -3.916 1.00 0.00 C ATOM 399 C VAL A 25 12.230 -6.300 -2.951 1.00 0.00 C ATOM 400 O VAL A 25 12.550 -6.358 -1.765 1.00 0.00 O ATOM 401 CB VAL A 25 12.082 -8.760 -3.376 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.572 -8.715 -3.171 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.458 -9.898 -4.315 1.00 0.00 C ATOM 0 H VAL A 25 14.589 -7.519 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 25 12.137 -7.236 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 25 12.553 -8.941 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.228 -9.677 -2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.325 -7.932 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.082 -8.504 -4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.081 -10.839 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.020 -9.719 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.543 -9.951 -4.406 1.00 0.00 H new ATOM 413 N PHE A 26 11.571 -5.282 -3.469 1.00 0.00 N ATOM 414 CA PHE A 26 11.135 -4.165 -2.654 1.00 0.00 C ATOM 415 C PHE A 26 9.637 -3.976 -2.809 1.00 0.00 C ATOM 416 O PHE A 26 9.019 -4.558 -3.696 1.00 0.00 O ATOM 417 CB PHE A 26 11.875 -2.882 -3.048 1.00 0.00 C ATOM 418 CG PHE A 26 13.336 -2.885 -2.697 1.00 0.00 C ATOM 419 CD1 PHE A 26 13.754 -3.226 -1.420 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.289 -2.538 -3.641 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.096 -3.226 -1.093 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.634 -2.534 -3.319 1.00 0.00 C ATOM 423 CZ PHE A 26 16.038 -2.880 -2.044 1.00 0.00 C ATOM 0 H PHE A 26 11.325 -5.205 -4.456 1.00 0.00 H new ATOM 0 HA PHE A 26 11.365 -4.382 -1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.771 -2.730 -4.122 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.396 -2.034 -2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.022 -3.495 -0.673 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.978 -2.268 -4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.409 -3.496 -0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.367 -2.261 -4.063 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.088 -2.880 -1.791 1.00 0.00 H new ATOM 433 N THR A 27 9.047 -3.193 -1.935 1.00 0.00 N ATOM 434 CA THR A 27 7.630 -2.913 -2.023 1.00 0.00 C ATOM 435 C THR A 27 7.393 -1.413 -2.030 1.00 0.00 C ATOM 436 O THR A 27 7.806 -0.707 -1.110 1.00 0.00 O ATOM 437 CB THR A 27 6.873 -3.549 -0.847 1.00 0.00 C ATOM 438 OG1 THR A 27 7.338 -4.889 -0.645 1.00 0.00 O ATOM 439 CG2 THR A 27 5.372 -3.566 -1.084 1.00 0.00 C ATOM 0 H THR A 27 9.524 -2.739 -1.156 1.00 0.00 H new ATOM 0 HA THR A 27 7.256 -3.343 -2.952 1.00 0.00 H new ATOM 0 HB THR A 27 7.067 -2.944 0.039 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.856 -5.293 0.106 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.874 -4.024 -0.229 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.012 -2.545 -1.210 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.152 -4.142 -1.983 1.00 0.00 H new ATOM 447 N LEU A 28 6.738 -0.934 -3.066 1.00 0.00 N ATOM 448 CA LEU A 28 6.437 0.481 -3.196 1.00 0.00 C ATOM 449 C LEU A 28 5.006 0.657 -3.660 1.00 0.00 C ATOM 450 O LEU A 28 4.437 -0.246 -4.273 1.00 0.00 O ATOM 451 CB LEU A 28 7.388 1.149 -4.191 1.00 0.00 C ATOM 452 CG LEU A 28 8.823 1.358 -3.704 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.691 1.866 -4.842 1.00 0.00 C ATOM 454 CD2 LEU A 28 8.860 2.342 -2.547 1.00 0.00 C ATOM 0 H LEU A 28 6.400 -1.508 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 28 6.567 0.954 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.417 0.545 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.973 2.119 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 28 9.211 0.400 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.711 2.012 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.691 1.137 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.295 2.814 -5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.890 2.476 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.455 3.301 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.261 1.956 -1.722 1.00 0.00 H new ATOM 466 N PRO A 29 4.387 1.794 -3.343 1.00 0.00 N ATOM 467 CA PRO A 29 3.057 2.108 -3.839 1.00 0.00 C ATOM 468 C PRO A 29 3.081 2.363 -5.338 1.00 0.00 C ATOM 469 O PRO A 29 4.095 2.793 -5.886 1.00 0.00 O ATOM 470 CB PRO A 29 2.675 3.380 -3.084 1.00 0.00 C ATOM 471 CG PRO A 29 3.976 4.000 -2.699 1.00 0.00 C ATOM 472 CD PRO A 29 4.925 2.858 -2.479 1.00 0.00 C ATOM 0 HA PRO A 29 2.350 1.293 -3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.087 4.051 -3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.070 3.152 -2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.339 4.665 -3.483 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.871 4.600 -1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.945 3.124 -2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.950 2.552 -1.433 1.00 0.00 H new ATOM 480 N LEU A 30 1.960 2.104 -5.990 1.00 0.00 N ATOM 481 CA LEU A 30 1.836 2.314 -7.433 1.00 0.00 C ATOM 482 C LEU A 30 1.993 3.800 -7.778 1.00 0.00 C ATOM 483 O LEU A 30 2.096 4.175 -8.946 1.00 0.00 O ATOM 484 CB LEU A 30 0.480 1.792 -7.921 1.00 0.00 C ATOM 485 CG LEU A 30 0.316 1.707 -9.439 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.333 0.747 -10.026 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.096 1.274 -9.804 1.00 0.00 C ATOM 0 H LEU A 30 1.115 1.746 -5.545 1.00 0.00 H new ATOM 0 HA LEU A 30 2.630 1.762 -7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.319 0.800 -7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.303 2.438 -7.524 1.00 0.00 H new ATOM 0 HG LEU A 30 0.489 2.698 -9.859 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.204 0.697 -11.107 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.339 1.098 -9.796 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.188 -0.244 -9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.191 1.220 -10.888 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.299 0.294 -9.373 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.811 1.998 -9.413 1.00 0.00 H new ATOM 499 N THR A 31 2.026 4.631 -6.743 1.00 0.00 N ATOM 500 CA THR A 31 2.137 6.069 -6.893 1.00 0.00 C ATOM 501 C THR A 31 3.575 6.500 -7.167 1.00 0.00 C ATOM 502 O THR A 31 3.816 7.609 -7.646 1.00 0.00 O ATOM 503 CB THR A 31 1.616 6.777 -5.629 1.00 0.00 C ATOM 504 OG1 THR A 31 2.337 6.321 -4.475 1.00 0.00 O ATOM 505 CG2 THR A 31 0.140 6.487 -5.435 1.00 0.00 C ATOM 0 H THR A 31 1.976 4.320 -5.773 1.00 0.00 H new ATOM 0 HA THR A 31 1.529 6.356 -7.751 1.00 0.00 H new ATOM 0 HB THR A 31 1.763 7.850 -5.752 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.000 6.778 -3.677 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.215 6.994 -4.538 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.418 6.846 -6.300 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.009 5.413 -5.328 1.00 0.00 H new ATOM 513 N ASP A 32 4.529 5.625 -6.861 1.00 0.00 N ATOM 514 CA ASP A 32 5.933 5.919 -7.137 1.00 0.00 C ATOM 515 C ASP A 32 6.224 5.796 -8.623 1.00 0.00 C ATOM 516 O ASP A 32 5.325 5.568 -9.439 1.00 0.00 O ATOM 517 CB ASP A 32 6.880 5.009 -6.341 1.00 0.00 C ATOM 518 CG ASP A 32 7.173 5.538 -4.955 1.00 0.00 C ATOM 519 OD1 ASP A 32 6.277 6.154 -4.336 1.00 0.00 O ATOM 520 OD2 ASP A 32 8.308 5.353 -4.475 1.00 0.00 O ATOM 0 H ASP A 32 4.360 4.717 -6.427 1.00 0.00 H new ATOM 0 HA ASP A 32 6.113 6.946 -6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.439 4.015 -6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.816 4.899 -6.888 1.00 0.00 H new ATOM 525 N GLN A 33 7.486 5.942 -8.980 1.00 0.00 N ATOM 526 CA GLN A 33 7.864 5.984 -10.374 1.00 0.00 C ATOM 527 C GLN A 33 9.215 5.325 -10.601 1.00 0.00 C ATOM 528 O GLN A 33 9.914 4.963 -9.652 1.00 0.00 O ATOM 529 CB GLN A 33 7.886 7.432 -10.877 1.00 0.00 C ATOM 530 CG GLN A 33 8.698 8.387 -10.008 1.00 0.00 C ATOM 531 CD GLN A 33 7.958 8.880 -8.768 1.00 0.00 C ATOM 532 OE1 GLN A 33 8.572 9.130 -7.731 1.00 0.00 O ATOM 533 NE2 GLN A 33 6.647 9.053 -8.870 1.00 0.00 N ATOM 0 H GLN A 33 8.262 6.033 -8.324 1.00 0.00 H new ATOM 0 HA GLN A 33 7.119 5.424 -10.940 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.291 7.447 -11.889 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.861 7.798 -10.939 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.615 7.887 -9.696 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.992 9.247 -10.609 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.170 8.835 -9.745 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.115 9.404 -8.073 1.00 0.00 H new ATOM 542 N VAL A 34 9.573 5.186 -11.871 1.00 0.00 N ATOM 543 CA VAL A 34 10.822 4.543 -12.262 1.00 0.00 C ATOM 544 C VAL A 34 12.019 5.330 -11.733 1.00 0.00 C ATOM 545 O VAL A 34 13.090 4.772 -11.498 1.00 0.00 O ATOM 546 CB VAL A 34 10.926 4.414 -13.798 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.170 3.640 -14.200 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.675 3.760 -14.368 1.00 0.00 C ATOM 0 H VAL A 34 9.010 5.514 -12.656 1.00 0.00 H new ATOM 0 HA VAL A 34 10.828 3.543 -11.827 1.00 0.00 H new ATOM 0 HB VAL A 34 11.008 5.418 -14.215 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.217 3.565 -15.286 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.056 4.159 -13.834 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.131 2.640 -13.769 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.768 3.678 -15.451 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.556 2.765 -13.938 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.803 4.367 -14.124 1.00 0.00 H new ATOM 558 N SER A 35 11.813 6.626 -11.544 1.00 0.00 N ATOM 559 CA SER A 35 12.828 7.505 -10.975 1.00 0.00 C ATOM 560 C SER A 35 13.335 6.973 -9.628 1.00 0.00 C ATOM 561 O SER A 35 14.507 7.129 -9.289 1.00 0.00 O ATOM 562 CB SER A 35 12.237 8.902 -10.800 1.00 0.00 C ATOM 563 OG SER A 35 11.234 9.140 -11.772 1.00 0.00 O ATOM 0 H SER A 35 10.940 7.098 -11.780 1.00 0.00 H new ATOM 0 HA SER A 35 13.679 7.544 -11.656 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.814 9.002 -9.800 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.024 9.651 -10.890 1.00 0.00 H new ATOM 0 HG SER A 35 11.642 9.169 -12.663 1.00 0.00 H new ATOM 569 N VAL A 36 12.451 6.325 -8.876 1.00 0.00 N ATOM 570 CA VAL A 36 12.807 5.759 -7.589 1.00 0.00 C ATOM 571 C VAL A 36 13.647 4.504 -7.782 1.00 0.00 C ATOM 572 O VAL A 36 14.529 4.198 -6.982 1.00 0.00 O ATOM 573 CB VAL A 36 11.539 5.419 -6.777 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.897 4.941 -5.391 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.610 6.624 -6.704 1.00 0.00 C ATOM 0 H VAL A 36 11.477 6.181 -9.142 1.00 0.00 H new ATOM 0 HA VAL A 36 13.389 6.498 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 36 11.017 4.611 -7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.986 4.708 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.516 4.047 -5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.448 5.722 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.722 6.364 -6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.127 7.453 -6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.316 6.918 -7.711 1.00 0.00 H new ATOM 585 N ILE A 37 13.380 3.792 -8.865 1.00 0.00 N ATOM 586 CA ILE A 37 14.095 2.559 -9.159 1.00 0.00 C ATOM 587 C ILE A 37 15.524 2.856 -9.607 1.00 0.00 C ATOM 588 O ILE A 37 16.474 2.265 -9.102 1.00 0.00 O ATOM 589 CB ILE A 37 13.385 1.730 -10.252 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.883 1.609 -9.963 1.00 0.00 C ATOM 591 CG2 ILE A 37 14.026 0.352 -10.372 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.551 0.997 -8.622 1.00 0.00 C ATOM 0 H ILE A 37 12.674 4.046 -9.555 1.00 0.00 H new ATOM 0 HA ILE A 37 14.112 1.977 -8.238 1.00 0.00 H new ATOM 0 HB ILE A 37 13.500 2.249 -11.203 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.434 2.601 -10.017 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.422 1.008 -10.747 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.515 -0.221 -11.146 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.078 0.462 -10.636 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.944 -0.172 -9.420 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.469 0.950 -8.501 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.966 -0.009 -8.569 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.978 1.608 -7.827 1.00 0.00 H new ATOM 604 N LYS A 38 15.671 3.784 -10.545 1.00 0.00 N ATOM 605 CA LYS A 38 16.987 4.140 -11.071 1.00 0.00 C ATOM 606 C LYS A 38 17.913 4.659 -9.974 1.00 0.00 C ATOM 607 O LYS A 38 19.099 4.319 -9.947 1.00 0.00 O ATOM 608 CB LYS A 38 16.870 5.188 -12.182 1.00 0.00 C ATOM 609 CG LYS A 38 15.929 6.328 -11.842 1.00 0.00 C ATOM 610 CD LYS A 38 16.331 7.632 -12.508 1.00 0.00 C ATOM 611 CE LYS A 38 17.629 8.170 -11.933 1.00 0.00 C ATOM 612 NZ LYS A 38 17.866 9.577 -12.343 1.00 0.00 N ATOM 0 H LYS A 38 14.897 4.304 -10.958 1.00 0.00 H new ATOM 0 HA LYS A 38 17.420 3.229 -11.484 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.859 5.594 -12.393 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.524 4.702 -13.094 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.917 6.064 -12.149 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.908 6.467 -10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.444 7.475 -13.581 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.539 8.369 -12.375 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.599 8.107 -10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.460 7.548 -12.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.761 9.912 -11.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.919 9.632 -13.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.085 10.174 -12.004 1.00 0.00 H new ATOM 626 N VAL A 39 17.387 5.476 -9.064 1.00 0.00 N ATOM 627 CA VAL A 39 18.228 6.043 -8.018 1.00 0.00 C ATOM 628 C VAL A 39 18.598 4.991 -6.985 1.00 0.00 C ATOM 629 O VAL A 39 19.732 4.953 -6.523 1.00 0.00 O ATOM 630 CB VAL A 39 17.586 7.251 -7.306 1.00 0.00 C ATOM 631 CG1 VAL A 39 17.229 8.333 -8.304 1.00 0.00 C ATOM 632 CG2 VAL A 39 16.370 6.834 -6.493 1.00 0.00 C ATOM 0 H VAL A 39 16.406 5.754 -9.030 1.00 0.00 H new ATOM 0 HA VAL A 39 19.125 6.399 -8.524 1.00 0.00 H new ATOM 0 HB VAL A 39 18.320 7.658 -6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.777 9.176 -7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 39 18.131 8.666 -8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.521 7.937 -9.032 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.942 7.709 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 39 15.627 6.387 -7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 39 16.669 6.107 -5.738 1.00 0.00 H new ATOM 642 N LYS A 40 17.647 4.122 -6.647 1.00 0.00 N ATOM 643 CA LYS A 40 17.899 3.096 -5.641 1.00 0.00 C ATOM 644 C LYS A 40 18.991 2.143 -6.120 1.00 0.00 C ATOM 645 O LYS A 40 19.805 1.677 -5.328 1.00 0.00 O ATOM 646 CB LYS A 40 16.621 2.323 -5.266 1.00 0.00 C ATOM 647 CG LYS A 40 16.110 1.360 -6.322 1.00 0.00 C ATOM 648 CD LYS A 40 14.928 0.559 -5.801 1.00 0.00 C ATOM 649 CE LYS A 40 13.764 1.465 -5.439 1.00 0.00 C ATOM 650 NZ LYS A 40 12.744 0.760 -4.624 1.00 0.00 N ATOM 0 H LYS A 40 16.709 4.108 -7.049 1.00 0.00 H new ATOM 0 HA LYS A 40 18.241 3.599 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.810 1.764 -4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.833 3.043 -5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.814 1.915 -7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.910 0.683 -6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.611 -0.159 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.232 -0.014 -4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.135 2.329 -4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.302 1.843 -6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.442 1.373 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.923 0.529 -5.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.151 -0.117 -4.241 1.00 0.00 H new ATOM 664 N ILE A 41 19.013 1.870 -7.420 1.00 0.00 N ATOM 665 CA ILE A 41 20.057 1.044 -8.004 1.00 0.00 C ATOM 666 C ILE A 41 21.375 1.810 -8.046 1.00 0.00 C ATOM 667 O ILE A 41 22.427 1.272 -7.703 1.00 0.00 O ATOM 668 CB ILE A 41 19.680 0.590 -9.423 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.376 -0.197 -9.382 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.791 -0.252 -10.032 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.792 -0.461 -10.747 1.00 0.00 C ATOM 0 H ILE A 41 18.320 2.209 -8.087 1.00 0.00 H new ATOM 0 HA ILE A 41 20.170 0.159 -7.377 1.00 0.00 H new ATOM 0 HB ILE A 41 19.544 1.472 -10.049 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.550 -1.148 -8.879 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.648 0.351 -8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.503 -0.563 -11.036 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.707 0.336 -10.083 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.960 -1.134 -9.414 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.865 -1.025 -10.643 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.586 0.487 -11.244 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.502 -1.036 -11.342 1.00 0.00 H new ATOM 683 N HIS A 42 21.302 3.072 -8.447 1.00 0.00 N ATOM 684 CA HIS A 42 22.482 3.935 -8.488 1.00 0.00 C ATOM 685 C HIS A 42 23.112 4.077 -7.101 1.00 0.00 C ATOM 686 O HIS A 42 24.329 4.177 -6.977 1.00 0.00 O ATOM 687 CB HIS A 42 22.123 5.317 -9.061 1.00 0.00 C ATOM 688 CG HIS A 42 23.178 6.370 -8.830 1.00 0.00 C ATOM 689 ND1 HIS A 42 24.426 6.345 -9.422 1.00 0.00 N ATOM 690 CD2 HIS A 42 23.161 7.477 -8.046 1.00 0.00 C ATOM 691 CE1 HIS A 42 25.127 7.387 -9.007 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.382 8.088 -8.174 1.00 0.00 N ATOM 0 H HIS A 42 20.439 3.524 -8.749 1.00 0.00 H new ATOM 0 HA HIS A 42 23.216 3.467 -9.144 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.949 5.221 -10.133 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.186 5.652 -8.615 1.00 0.00 H new ATOM 0 HD2 HIS A 42 22.338 7.815 -7.434 1.00 0.00 H new ATOM 0 HE1 HIS A 42 26.139 7.624 -9.301 1.00 0.00 H new ATOM 0 HE2 HIS A 42 24.668 8.946 -7.702 1.00 0.00 H new ATOM 701 N GLU A 43 22.285 4.089 -6.066 1.00 0.00 N ATOM 702 CA GLU A 43 22.781 4.209 -4.698 1.00 0.00 C ATOM 703 C GLU A 43 23.303 2.868 -4.193 1.00 0.00 C ATOM 704 O GLU A 43 24.292 2.805 -3.458 1.00 0.00 O ATOM 705 CB GLU A 43 21.676 4.710 -3.764 1.00 0.00 C ATOM 706 CG GLU A 43 21.215 6.130 -4.052 1.00 0.00 C ATOM 707 CD GLU A 43 22.306 7.156 -3.842 1.00 0.00 C ATOM 708 OE1 GLU A 43 22.602 7.483 -2.675 1.00 0.00 O ATOM 709 OE2 GLU A 43 22.861 7.655 -4.842 1.00 0.00 O ATOM 0 H GLU A 43 21.271 4.018 -6.144 1.00 0.00 H new ATOM 0 HA GLU A 43 23.598 4.930 -4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.820 4.039 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.033 4.657 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.860 6.190 -5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.369 6.370 -3.408 1.00 0.00 H new ATOM 716 N ALA A 44 22.632 1.801 -4.596 1.00 0.00 N ATOM 717 CA ALA A 44 22.955 0.468 -4.121 1.00 0.00 C ATOM 718 C ALA A 44 24.181 -0.100 -4.825 1.00 0.00 C ATOM 719 O ALA A 44 25.131 -0.548 -4.182 1.00 0.00 O ATOM 720 CB ALA A 44 21.760 -0.445 -4.327 1.00 0.00 C ATOM 0 H ALA A 44 21.855 1.835 -5.256 1.00 0.00 H new ATOM 0 HA ALA A 44 23.191 0.532 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 44 22.001 -1.446 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.906 -0.058 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.513 -0.487 -5.388 1.00 0.00 H new ATOM 726 N THR A 45 24.155 -0.087 -6.147 1.00 0.00 N ATOM 727 CA THR A 45 25.225 -0.673 -6.933 1.00 0.00 C ATOM 728 C THR A 45 26.286 0.368 -7.261 1.00 0.00 C ATOM 729 O THR A 45 27.482 0.101 -7.162 1.00 0.00 O ATOM 730 CB THR A 45 24.682 -1.292 -8.239 1.00 0.00 C ATOM 731 OG1 THR A 45 24.506 -0.286 -9.244 1.00 0.00 O ATOM 732 CG2 THR A 45 23.342 -1.957 -7.988 1.00 0.00 C ATOM 0 H THR A 45 23.402 0.324 -6.699 1.00 0.00 H new ATOM 0 HA THR A 45 25.677 -1.464 -6.334 1.00 0.00 H new ATOM 0 HB THR A 45 25.408 -2.029 -8.583 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.825 0.354 -8.950 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.971 -2.389 -8.917 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.460 -2.744 -7.243 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.631 -1.216 -7.623 1.00 0.00 H new ATOM 740 N GLY A 46 25.833 1.554 -7.645 1.00 0.00 N ATOM 741 CA GLY A 46 26.739 2.619 -8.002 1.00 0.00 C ATOM 742 C GLY A 46 26.519 3.097 -9.421 1.00 0.00 C ATOM 743 O GLY A 46 26.970 4.177 -9.799 1.00 0.00 O ATOM 0 H GLY A 46 24.844 1.795 -7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.607 3.454 -7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.767 2.274 -7.891 1.00 0.00 H new ATOM 747 N MET A 47 25.796 2.304 -10.201 1.00 0.00 N ATOM 748 CA MET A 47 25.590 2.609 -11.613 1.00 0.00 C ATOM 749 C MET A 47 24.475 3.634 -11.809 1.00 0.00 C ATOM 750 O MET A 47 23.333 3.426 -11.402 1.00 0.00 O ATOM 751 CB MET A 47 25.289 1.331 -12.401 1.00 0.00 C ATOM 752 CG MET A 47 23.944 0.705 -12.075 1.00 0.00 C ATOM 753 SD MET A 47 23.835 -1.033 -12.542 1.00 0.00 S ATOM 754 CE MET A 47 23.948 -0.939 -14.329 1.00 0.00 C ATOM 0 H MET A 47 25.343 1.447 -9.882 1.00 0.00 H new ATOM 0 HA MET A 47 26.513 3.046 -11.994 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.324 1.557 -13.467 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.075 0.602 -12.204 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.757 0.799 -11.005 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.158 1.261 -12.586 1.00 0.00 H new ATOM 0 HE1 MET A 47 22.984 -1.194 -14.768 1.00 0.00 H new ATOM 0 HE2 MET A 47 24.224 0.073 -14.623 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.705 -1.639 -14.683 1.00 0.00 H new ATOM 764 N PRO A 48 24.810 4.777 -12.411 1.00 0.00 N ATOM 765 CA PRO A 48 23.836 5.821 -12.725 1.00 0.00 C ATOM 766 C PRO A 48 22.851 5.380 -13.804 1.00 0.00 C ATOM 767 O PRO A 48 23.151 4.499 -14.616 1.00 0.00 O ATOM 768 CB PRO A 48 24.691 6.984 -13.227 1.00 0.00 C ATOM 769 CG PRO A 48 25.981 6.375 -13.657 1.00 0.00 C ATOM 770 CD PRO A 48 26.175 5.145 -12.817 1.00 0.00 C ATOM 0 HA PRO A 48 23.224 6.076 -11.860 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.205 7.499 -14.056 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.849 7.723 -12.441 1.00 0.00 H new ATOM 0 HG2 PRO A 48 25.955 6.121 -14.717 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.805 7.074 -13.517 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.653 4.346 -13.383 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.808 5.347 -11.953 1.00 0.00 H new ATOM 778 N ALA A 49 21.684 6.015 -13.824 1.00 0.00 N ATOM 779 CA ALA A 49 20.632 5.676 -14.780 1.00 0.00 C ATOM 780 C ALA A 49 21.061 5.976 -16.212 1.00 0.00 C ATOM 781 O ALA A 49 20.408 5.558 -17.168 1.00 0.00 O ATOM 782 CB ALA A 49 19.363 6.440 -14.459 1.00 0.00 C ATOM 0 H ALA A 49 21.440 6.772 -13.185 1.00 0.00 H new ATOM 0 HA ALA A 49 20.444 4.606 -14.696 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.588 6.177 -15.179 1.00 0.00 H new ATOM 0 HB2 ALA A 49 19.027 6.182 -13.455 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.560 7.511 -14.512 1.00 0.00 H new ATOM 788 N GLY A 50 22.159 6.711 -16.341 1.00 0.00 N ATOM 789 CA GLY A 50 22.699 7.046 -17.645 1.00 0.00 C ATOM 790 C GLY A 50 22.973 5.823 -18.491 1.00 0.00 C ATOM 791 O GLY A 50 22.839 5.857 -19.711 1.00 0.00 O ATOM 0 H GLY A 50 22.691 7.085 -15.555 1.00 0.00 H new ATOM 0 HA2 GLY A 50 21.998 7.696 -18.169 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.623 7.610 -17.518 1.00 0.00 H new ATOM 795 N LYS A 51 23.344 4.732 -17.838 1.00 0.00 N ATOM 796 CA LYS A 51 23.695 3.511 -18.549 1.00 0.00 C ATOM 797 C LYS A 51 22.962 2.319 -17.954 1.00 0.00 C ATOM 798 O LYS A 51 23.067 1.204 -18.443 1.00 0.00 O ATOM 799 CB LYS A 51 25.207 3.244 -18.520 1.00 0.00 C ATOM 800 CG LYS A 51 26.063 4.359 -17.920 1.00 0.00 C ATOM 801 CD LYS A 51 25.928 4.435 -16.404 1.00 0.00 C ATOM 802 CE LYS A 51 26.042 3.069 -15.760 1.00 0.00 C ATOM 803 NZ LYS A 51 27.334 2.407 -16.095 1.00 0.00 N ATOM 0 H LYS A 51 23.410 4.666 -16.822 1.00 0.00 H new ATOM 0 HA LYS A 51 23.393 3.649 -19.587 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.386 2.329 -17.955 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.545 3.060 -19.540 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.108 4.194 -18.182 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.772 5.314 -18.357 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.700 5.092 -16.003 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.966 4.879 -16.147 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.954 3.168 -14.678 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.215 2.441 -16.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.436 1.539 -15.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.349 2.167 -17.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.121 3.053 -15.881 1.00 0.00 H new ATOM 817 N GLN A 52 22.230 2.564 -16.891 1.00 0.00 N ATOM 818 CA GLN A 52 21.467 1.529 -16.233 1.00 0.00 C ATOM 819 C GLN A 52 20.050 1.502 -16.798 1.00 0.00 C ATOM 820 O GLN A 52 19.320 2.488 -16.738 1.00 0.00 O ATOM 821 CB GLN A 52 21.524 1.784 -14.725 1.00 0.00 C ATOM 822 CG GLN A 52 20.290 1.408 -13.929 1.00 0.00 C ATOM 823 CD GLN A 52 19.535 2.620 -13.438 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.516 3.011 -14.001 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.098 3.285 -12.448 1.00 0.00 N ATOM 0 H GLN A 52 22.147 3.484 -16.459 1.00 0.00 H new ATOM 0 HA GLN A 52 21.883 0.538 -16.416 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.373 1.235 -14.318 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.723 2.844 -14.565 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.632 0.799 -14.549 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.583 0.795 -13.077 1.00 0.00 H new ATOM 0 HE21 GLN A 52 20.945 2.924 -12.008 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.687 4.160 -12.122 1.00 0.00 H new ATOM 834 N LYS A 53 19.699 0.393 -17.431 1.00 0.00 N ATOM 835 CA LYS A 53 18.394 0.251 -18.053 1.00 0.00 C ATOM 836 C LYS A 53 17.494 -0.644 -17.230 1.00 0.00 C ATOM 837 O LYS A 53 17.937 -1.651 -16.679 1.00 0.00 O ATOM 838 CB LYS A 53 18.523 -0.315 -19.464 1.00 0.00 C ATOM 839 CG LYS A 53 19.363 0.529 -20.399 1.00 0.00 C ATOM 840 CD LYS A 53 18.539 1.615 -21.069 1.00 0.00 C ATOM 841 CE LYS A 53 18.567 2.925 -20.300 1.00 0.00 C ATOM 842 NZ LYS A 53 17.716 2.929 -19.079 1.00 0.00 N ATOM 0 H LYS A 53 20.303 -0.424 -17.527 1.00 0.00 H new ATOM 0 HA LYS A 53 17.948 1.244 -18.108 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.958 -1.313 -19.404 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.526 -0.427 -19.891 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.181 0.985 -19.842 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.812 -0.109 -21.160 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.916 1.782 -22.078 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.507 1.276 -21.166 1.00 0.00 H new ATOM 0 HE2 LYS A 53 19.596 3.145 -20.014 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.241 3.729 -20.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.224 3.842 -19.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.016 2.162 -19.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.313 2.786 -18.239 1.00 0.00 H new ATOM 856 N LEU A 54 16.232 -0.270 -17.157 1.00 0.00 N ATOM 857 CA LEU A 54 15.257 -1.025 -16.402 1.00 0.00 C ATOM 858 C LEU A 54 14.171 -1.516 -17.342 1.00 0.00 C ATOM 859 O LEU A 54 13.490 -0.723 -17.992 1.00 0.00 O ATOM 860 CB LEU A 54 14.655 -0.154 -15.304 1.00 0.00 C ATOM 861 CG LEU A 54 15.662 0.733 -14.567 1.00 0.00 C ATOM 862 CD1 LEU A 54 14.968 1.599 -13.535 1.00 0.00 C ATOM 863 CD2 LEU A 54 16.742 -0.107 -13.915 1.00 0.00 C ATOM 0 H LEU A 54 15.857 0.560 -17.616 1.00 0.00 H new ATOM 0 HA LEU A 54 15.742 -1.881 -15.933 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.886 0.481 -15.743 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.160 -0.799 -14.578 1.00 0.00 H new ATOM 0 HG LEU A 54 16.132 1.388 -15.301 1.00 0.00 H new ATOM 0 HD11 LEU A 54 15.705 2.219 -13.026 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.236 2.237 -14.029 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.463 0.964 -12.807 1.00 0.00 H new ATOM 0 HD21 LEU A 54 17.446 0.544 -13.397 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.288 -0.792 -13.199 1.00 0.00 H new ATOM 0 HD23 LEU A 54 17.270 -0.678 -14.679 1.00 0.00 H new ATOM 875 N GLN A 55 14.036 -2.819 -17.433 1.00 0.00 N ATOM 876 CA GLN A 55 13.102 -3.427 -18.357 1.00 0.00 C ATOM 877 C GLN A 55 11.947 -4.101 -17.625 1.00 0.00 C ATOM 878 O GLN A 55 12.139 -5.069 -16.898 1.00 0.00 O ATOM 879 CB GLN A 55 13.848 -4.436 -19.218 1.00 0.00 C ATOM 880 CG GLN A 55 12.947 -5.373 -19.993 1.00 0.00 C ATOM 881 CD GLN A 55 13.718 -6.444 -20.730 1.00 0.00 C ATOM 882 OE1 GLN A 55 13.987 -7.515 -20.189 1.00 0.00 O ATOM 883 NE2 GLN A 55 14.067 -6.164 -21.972 1.00 0.00 N ATOM 0 H GLN A 55 14.567 -3.486 -16.873 1.00 0.00 H new ATOM 0 HA GLN A 55 12.672 -2.647 -18.986 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.485 -3.898 -19.920 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.505 -5.026 -18.580 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.243 -5.844 -19.307 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.359 -4.797 -20.708 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.822 -5.262 -22.380 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.582 -6.850 -22.524 1.00 0.00 H new ATOM 892 N TYR A 56 10.750 -3.596 -17.837 1.00 0.00 N ATOM 893 CA TYR A 56 9.562 -4.166 -17.222 1.00 0.00 C ATOM 894 C TYR A 56 8.798 -4.963 -18.243 1.00 0.00 C ATOM 895 O TYR A 56 8.236 -4.412 -19.180 1.00 0.00 O ATOM 896 CB TYR A 56 8.693 -3.068 -16.610 1.00 0.00 C ATOM 897 CG TYR A 56 7.323 -3.528 -16.144 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.171 -4.673 -15.373 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.179 -2.813 -16.482 1.00 0.00 C ATOM 900 CE1 TYR A 56 5.922 -5.091 -14.952 1.00 0.00 C ATOM 901 CE2 TYR A 56 4.930 -3.225 -16.064 1.00 0.00 C ATOM 902 CZ TYR A 56 4.805 -4.363 -15.300 1.00 0.00 C ATOM 903 OH TYR A 56 3.559 -4.771 -14.878 1.00 0.00 O ATOM 0 H TYR A 56 10.570 -2.788 -18.433 1.00 0.00 H new ATOM 0 HA TYR A 56 9.861 -4.834 -16.414 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.223 -2.634 -15.762 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.564 -2.274 -17.345 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.043 -5.247 -15.097 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.270 -1.920 -17.082 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.822 -5.984 -14.353 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.053 -2.656 -16.336 1.00 0.00 H new ATOM 0 HH TYR A 56 2.881 -4.146 -15.209 1.00 0.00 H new ATOM 913 N GLU A 57 8.840 -6.273 -18.067 1.00 0.00 N ATOM 914 CA GLU A 57 8.156 -7.201 -18.947 1.00 0.00 C ATOM 915 C GLU A 57 8.602 -7.038 -20.397 1.00 0.00 C ATOM 916 O GLU A 57 7.843 -7.303 -21.327 1.00 0.00 O ATOM 917 CB GLU A 57 6.655 -7.001 -18.819 1.00 0.00 C ATOM 918 CG GLU A 57 6.146 -7.371 -17.447 1.00 0.00 C ATOM 919 CD GLU A 57 6.474 -8.802 -17.089 1.00 0.00 C ATOM 920 OE1 GLU A 57 5.960 -9.726 -17.754 1.00 0.00 O ATOM 921 OE2 GLU A 57 7.270 -9.014 -16.155 1.00 0.00 O ATOM 0 H GLU A 57 9.351 -6.722 -17.307 1.00 0.00 H new ATOM 0 HA GLU A 57 8.415 -8.216 -18.647 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.410 -5.960 -19.027 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.144 -7.605 -19.569 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.583 -6.702 -16.706 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.066 -7.226 -17.410 1.00 0.00 H new ATOM 928 N GLY A 58 9.846 -6.628 -20.578 1.00 0.00 N ATOM 929 CA GLY A 58 10.393 -6.495 -21.916 1.00 0.00 C ATOM 930 C GLY A 58 10.327 -5.071 -22.425 1.00 0.00 C ATOM 931 O GLY A 58 10.579 -4.806 -23.600 1.00 0.00 O ATOM 0 H GLY A 58 10.489 -6.384 -19.825 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.430 -6.831 -21.917 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.846 -7.147 -22.596 1.00 0.00 H new ATOM 935 N ILE A 59 9.998 -4.149 -21.536 1.00 0.00 N ATOM 936 CA ILE A 59 9.856 -2.753 -21.893 1.00 0.00 C ATOM 937 C ILE A 59 10.931 -1.941 -21.190 1.00 0.00 C ATOM 938 O ILE A 59 10.994 -1.932 -19.960 1.00 0.00 O ATOM 939 CB ILE A 59 8.467 -2.219 -21.476 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.375 -3.224 -21.856 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.202 -0.867 -22.124 1.00 0.00 C ATOM 942 CD1 ILE A 59 6.020 -2.913 -21.251 1.00 0.00 C ATOM 0 H ILE A 59 9.823 -4.349 -20.551 1.00 0.00 H new ATOM 0 HA ILE A 59 9.959 -2.660 -22.974 1.00 0.00 H new ATOM 0 HB ILE A 59 8.453 -2.089 -20.394 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.280 -3.250 -22.942 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.684 -4.220 -21.539 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.220 -0.504 -21.821 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.965 -0.156 -21.807 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.231 -0.971 -23.209 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.299 -3.668 -21.565 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.098 -2.916 -20.164 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.687 -1.931 -21.589 1.00 0.00 H new ATOM 954 N PHE A 60 11.791 -1.289 -21.954 1.00 0.00 N ATOM 955 CA PHE A 60 12.815 -0.433 -21.372 1.00 0.00 C ATOM 956 C PHE A 60 12.186 0.854 -20.864 1.00 0.00 C ATOM 957 O PHE A 60 12.084 1.841 -21.597 1.00 0.00 O ATOM 958 CB PHE A 60 13.923 -0.113 -22.380 1.00 0.00 C ATOM 959 CG PHE A 60 14.880 -1.246 -22.629 1.00 0.00 C ATOM 960 CD1 PHE A 60 15.062 -2.244 -21.685 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.600 -1.310 -23.812 1.00 0.00 C ATOM 962 CE1 PHE A 60 15.943 -3.285 -21.917 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.482 -2.349 -24.049 1.00 0.00 C ATOM 964 CZ PHE A 60 16.652 -3.338 -23.101 1.00 0.00 C ATOM 0 H PHE A 60 11.802 -1.334 -22.973 1.00 0.00 H new ATOM 0 HA PHE A 60 13.268 -0.971 -20.539 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.465 0.175 -23.326 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.485 0.750 -22.023 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.510 -2.209 -20.758 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.471 -0.539 -24.558 1.00 0.00 H new ATOM 0 HE1 PHE A 60 16.076 -4.056 -21.173 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.037 -2.386 -24.975 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.338 -4.152 -23.285 1.00 0.00 H new ATOM 974 N ILE A 61 11.757 0.831 -19.614 1.00 0.00 N ATOM 975 CA ILE A 61 11.050 1.963 -19.033 1.00 0.00 C ATOM 976 C ILE A 61 12.015 3.104 -18.728 1.00 0.00 C ATOM 977 O ILE A 61 13.215 2.886 -18.535 1.00 0.00 O ATOM 978 CB ILE A 61 10.290 1.554 -17.751 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.261 1.406 -16.564 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.515 0.263 -17.994 1.00 0.00 C ATOM 981 CD1 ILE A 61 10.934 0.270 -15.613 1.00 0.00 C ATOM 0 H ILE A 61 11.885 0.042 -18.981 1.00 0.00 H new ATOM 0 HA ILE A 61 10.320 2.306 -19.767 1.00 0.00 H new ATOM 0 HB ILE A 61 9.578 2.340 -17.498 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.268 1.257 -16.953 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.271 2.340 -16.002 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.982 -0.018 -17.086 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.799 0.415 -18.802 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.209 -0.532 -18.268 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.671 0.244 -14.810 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.942 0.424 -15.190 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.954 -0.675 -16.155 1.00 0.00 H new ATOM 993 N LYS A 62 11.496 4.320 -18.704 1.00 0.00 N ATOM 994 CA LYS A 62 12.322 5.488 -18.468 1.00 0.00 C ATOM 995 C LYS A 62 11.908 6.198 -17.183 1.00 0.00 C ATOM 996 O LYS A 62 10.786 6.029 -16.703 1.00 0.00 O ATOM 997 CB LYS A 62 12.231 6.428 -19.667 1.00 0.00 C ATOM 998 CG LYS A 62 10.828 6.936 -19.945 1.00 0.00 C ATOM 999 CD LYS A 62 10.617 7.191 -21.427 1.00 0.00 C ATOM 1000 CE LYS A 62 9.295 7.896 -21.697 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.304 9.305 -21.228 1.00 0.00 N ATOM 0 H LYS A 62 10.506 4.522 -18.845 1.00 0.00 H new ATOM 0 HA LYS A 62 13.358 5.171 -18.346 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.889 7.281 -19.499 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.601 5.910 -20.552 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.098 6.207 -19.592 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.655 7.856 -19.387 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.437 7.797 -21.812 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.640 6.244 -21.966 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.084 7.872 -22.766 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.489 7.355 -21.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.327 9.623 -21.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.842 9.372 -20.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.749 9.908 -21.949 1.00 0.00 H new ATOM 1015 N ASP A 63 12.813 7.007 -16.648 1.00 0.00 N ATOM 1016 CA ASP A 63 12.612 7.676 -15.361 1.00 0.00 C ATOM 1017 C ASP A 63 11.582 8.796 -15.461 1.00 0.00 C ATOM 1018 O ASP A 63 11.215 9.402 -14.459 1.00 0.00 O ATOM 1019 CB ASP A 63 13.940 8.238 -14.855 1.00 0.00 C ATOM 1020 CG ASP A 63 14.474 9.354 -15.731 1.00 0.00 C ATOM 1021 OD1 ASP A 63 14.675 9.123 -16.943 1.00 0.00 O ATOM 1022 OD2 ASP A 63 14.709 10.464 -15.211 1.00 0.00 O ATOM 0 H ASP A 63 13.707 7.220 -17.090 1.00 0.00 H new ATOM 0 HA ASP A 63 12.232 6.935 -14.657 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.809 8.610 -13.839 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.675 7.435 -14.808 1.00 0.00 H new ATOM 1027 N SER A 64 11.118 9.067 -16.670 1.00 0.00 N ATOM 1028 CA SER A 64 10.087 10.070 -16.878 1.00 0.00 C ATOM 1029 C SER A 64 8.697 9.449 -16.762 1.00 0.00 C ATOM 1030 O SER A 64 7.685 10.135 -16.902 1.00 0.00 O ATOM 1031 CB SER A 64 10.275 10.739 -18.241 1.00 0.00 C ATOM 1032 OG SER A 64 11.014 9.904 -19.121 1.00 0.00 O ATOM 0 H SER A 64 11.439 8.607 -17.522 1.00 0.00 H new ATOM 0 HA SER A 64 10.177 10.831 -16.103 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.302 10.962 -18.678 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.793 11.690 -18.115 1.00 0.00 H new ATOM 0 HG SER A 64 11.298 10.423 -19.903 1.00 0.00 H new ATOM 1038 N ASN A 65 8.658 8.148 -16.492 1.00 0.00 N ATOM 1039 CA ASN A 65 7.402 7.436 -16.328 1.00 0.00 C ATOM 1040 C ASN A 65 7.235 6.983 -14.891 1.00 0.00 C ATOM 1041 O ASN A 65 8.135 7.152 -14.063 1.00 0.00 O ATOM 1042 CB ASN A 65 7.334 6.224 -17.253 1.00 0.00 C ATOM 1043 CG ASN A 65 7.253 6.596 -18.717 1.00 0.00 C ATOM 1044 OD1 ASN A 65 6.751 7.660 -19.082 1.00 0.00 O ATOM 1045 ND2 ASN A 65 7.748 5.717 -19.568 1.00 0.00 N ATOM 0 H ASN A 65 9.488 7.566 -16.382 1.00 0.00 H new ATOM 0 HA ASN A 65 6.595 8.121 -16.588 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.214 5.602 -17.091 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.465 5.622 -16.989 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.723 5.907 -20.570 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.155 4.847 -19.224 1.00 0.00 H new ATOM 1052 N SER A 66 6.099 6.378 -14.602 1.00 0.00 N ATOM 1053 CA SER A 66 5.786 5.965 -13.256 1.00 0.00 C ATOM 1054 C SER A 66 5.326 4.518 -13.242 1.00 0.00 C ATOM 1055 O SER A 66 5.097 3.919 -14.298 1.00 0.00 O ATOM 1056 CB SER A 66 4.711 6.887 -12.685 1.00 0.00 C ATOM 1057 OG SER A 66 3.518 6.817 -13.450 1.00 0.00 O ATOM 0 H SER A 66 5.376 6.163 -15.289 1.00 0.00 H new ATOM 0 HA SER A 66 6.679 6.036 -12.634 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.501 6.610 -11.652 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.078 7.913 -12.671 1.00 0.00 H new ATOM 0 HG SER A 66 2.845 7.415 -13.063 1.00 0.00 H new ATOM 1063 N LEU A 67 5.205 3.959 -12.053 1.00 0.00 N ATOM 1064 CA LEU A 67 4.777 2.580 -11.905 1.00 0.00 C ATOM 1065 C LEU A 67 3.323 2.440 -12.338 1.00 0.00 C ATOM 1066 O LEU A 67 2.961 1.495 -13.041 1.00 0.00 O ATOM 1067 CB LEU A 67 4.937 2.141 -10.451 1.00 0.00 C ATOM 1068 CG LEU A 67 6.242 2.580 -9.785 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.215 2.264 -8.302 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.443 1.925 -10.450 1.00 0.00 C ATOM 0 H LEU A 67 5.397 4.439 -11.174 1.00 0.00 H new ATOM 0 HA LEU A 67 5.396 1.943 -12.537 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.101 2.536 -9.874 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.871 1.054 -10.406 1.00 0.00 H new ATOM 0 HG LEU A 67 6.337 3.659 -9.908 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.152 2.583 -7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.384 2.791 -7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.090 1.190 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.357 2.255 -9.956 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.358 0.841 -10.369 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.476 2.209 -11.502 1.00 0.00 H new ATOM 1082 N ALA A 68 2.497 3.394 -11.913 1.00 0.00 N ATOM 1083 CA ALA A 68 1.094 3.450 -12.313 1.00 0.00 C ATOM 1084 C ALA A 68 0.954 3.542 -13.827 1.00 0.00 C ATOM 1085 O ALA A 68 0.060 2.933 -14.413 1.00 0.00 O ATOM 1086 CB ALA A 68 0.406 4.633 -11.652 1.00 0.00 C ATOM 0 H ALA A 68 2.780 4.146 -11.285 1.00 0.00 H new ATOM 0 HA ALA A 68 0.614 2.528 -11.985 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.640 4.664 -11.958 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.464 4.529 -10.569 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.900 5.557 -11.954 1.00 0.00 H new ATOM 1092 N TYR A 69 1.853 4.293 -14.454 1.00 0.00 N ATOM 1093 CA TYR A 69 1.849 4.462 -15.903 1.00 0.00 C ATOM 1094 C TYR A 69 1.956 3.114 -16.610 1.00 0.00 C ATOM 1095 O TYR A 69 1.227 2.841 -17.560 1.00 0.00 O ATOM 1096 CB TYR A 69 3.004 5.377 -16.326 1.00 0.00 C ATOM 1097 CG TYR A 69 3.124 5.576 -17.819 1.00 0.00 C ATOM 1098 CD1 TYR A 69 2.394 6.558 -18.469 1.00 0.00 C ATOM 1099 CD2 TYR A 69 3.977 4.782 -18.571 1.00 0.00 C ATOM 1100 CE1 TYR A 69 2.510 6.745 -19.834 1.00 0.00 C ATOM 1101 CE2 TYR A 69 4.100 4.960 -19.932 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.365 5.942 -20.560 1.00 0.00 C ATOM 1103 OH TYR A 69 3.489 6.122 -21.922 1.00 0.00 O ATOM 0 H TYR A 69 2.600 4.798 -13.977 1.00 0.00 H new ATOM 0 HA TYR A 69 0.904 4.922 -16.193 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.875 6.349 -15.851 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.939 4.960 -15.950 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.724 7.187 -17.901 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.554 4.011 -18.082 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.935 7.514 -20.328 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.769 4.333 -20.503 1.00 0.00 H new ATOM 0 HH TYR A 69 4.132 5.475 -22.280 1.00 0.00 H new ATOM 1113 N TYR A 70 2.855 2.264 -16.133 1.00 0.00 N ATOM 1114 CA TYR A 70 3.028 0.939 -16.716 1.00 0.00 C ATOM 1115 C TYR A 70 2.105 -0.079 -16.058 1.00 0.00 C ATOM 1116 O TYR A 70 2.153 -1.262 -16.378 1.00 0.00 O ATOM 1117 CB TYR A 70 4.483 0.488 -16.597 1.00 0.00 C ATOM 1118 CG TYR A 70 5.401 1.160 -17.589 1.00 0.00 C ATOM 1119 CD1 TYR A 70 5.489 0.698 -18.895 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.170 2.256 -17.225 1.00 0.00 C ATOM 1121 CE1 TYR A 70 6.319 1.309 -19.812 1.00 0.00 C ATOM 1122 CE2 TYR A 70 7.002 2.873 -18.137 1.00 0.00 C ATOM 1123 CZ TYR A 70 7.072 2.396 -19.429 1.00 0.00 C ATOM 1124 OH TYR A 70 7.904 3.010 -20.336 1.00 0.00 O ATOM 0 H TYR A 70 3.474 2.466 -15.348 1.00 0.00 H new ATOM 0 HA TYR A 70 2.764 1.002 -17.772 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.838 0.694 -15.587 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.534 -0.591 -16.739 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.898 -0.154 -19.198 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.117 2.632 -16.214 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.378 0.937 -20.824 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.595 3.725 -17.840 1.00 0.00 H new ATOM 0 HH TYR A 70 7.366 3.479 -21.008 1.00 0.00 H new ATOM 1134 N ASN A 71 1.266 0.398 -15.139 1.00 0.00 N ATOM 1135 CA ASN A 71 0.297 -0.450 -14.441 1.00 0.00 C ATOM 1136 C ASN A 71 0.997 -1.569 -13.683 1.00 0.00 C ATOM 1137 O ASN A 71 0.522 -2.705 -13.671 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.725 -1.065 -15.414 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.714 -0.065 -15.997 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -2.880 -0.393 -16.215 1.00 0.00 O ATOM 1141 ND2 ASN A 71 -1.266 1.149 -16.268 1.00 0.00 N ATOM 0 H ASN A 71 1.238 1.378 -14.858 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.231 0.192 -13.736 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.187 -1.546 -16.231 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.280 -1.846 -14.894 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.893 1.846 -16.670 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.293 1.389 -16.075 1.00 0.00 H new ATOM 1148 N MET A 72 2.118 -1.247 -13.043 1.00 0.00 N ATOM 1149 CA MET A 72 2.874 -2.243 -12.291 1.00 0.00 C ATOM 1150 C MET A 72 2.054 -2.801 -11.131 1.00 0.00 C ATOM 1151 O MET A 72 1.990 -2.216 -10.050 1.00 0.00 O ATOM 1152 CB MET A 72 4.185 -1.651 -11.771 1.00 0.00 C ATOM 1153 CG MET A 72 5.182 -1.330 -12.871 1.00 0.00 C ATOM 1154 SD MET A 72 6.786 -0.824 -12.227 1.00 0.00 S ATOM 1155 CE MET A 72 7.731 -0.689 -13.739 1.00 0.00 C ATOM 0 H MET A 72 2.521 -0.310 -13.030 1.00 0.00 H new ATOM 0 HA MET A 72 3.105 -3.063 -12.972 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.967 -0.741 -11.212 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.640 -2.353 -11.072 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.310 -2.206 -13.507 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.780 -0.536 -13.500 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.750 -0.382 -13.505 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.749 -1.655 -14.244 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.270 0.053 -14.391 1.00 0.00 H new ATOM 1165 N ALA A 73 1.394 -3.918 -11.385 1.00 0.00 N ATOM 1166 CA ALA A 73 0.619 -4.608 -10.368 1.00 0.00 C ATOM 1167 C ALA A 73 1.534 -5.298 -9.361 1.00 0.00 C ATOM 1168 O ALA A 73 2.760 -5.201 -9.449 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.313 -5.618 -11.018 1.00 0.00 C ATOM 0 H ALA A 73 1.380 -4.371 -12.299 1.00 0.00 H new ATOM 0 HA ALA A 73 0.022 -3.871 -9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.889 -6.130 -10.247 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.992 -5.102 -11.697 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.274 -6.347 -11.577 1.00 0.00 H new ATOM 1175 N ASN A 74 0.928 -5.996 -8.411 1.00 0.00 N ATOM 1176 CA ASN A 74 1.677 -6.710 -7.389 1.00 0.00 C ATOM 1177 C ASN A 74 2.554 -7.779 -8.022 1.00 0.00 C ATOM 1178 O ASN A 74 2.056 -8.713 -8.650 1.00 0.00 O ATOM 1179 CB ASN A 74 0.720 -7.362 -6.390 1.00 0.00 C ATOM 1180 CG ASN A 74 1.445 -8.176 -5.336 1.00 0.00 C ATOM 1181 OD1 ASN A 74 2.520 -7.797 -4.866 1.00 0.00 O ATOM 1182 ND2 ASN A 74 0.875 -9.318 -4.985 1.00 0.00 N ATOM 0 H ASN A 74 -0.085 -6.083 -8.328 1.00 0.00 H new ATOM 0 HA ASN A 74 2.310 -5.993 -6.866 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.127 -6.588 -5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.024 -8.007 -6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.326 -9.924 -4.300 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.016 -9.592 -5.400 1.00 0.00 H new ATOM 1189 N GLY A 75 3.859 -7.631 -7.872 1.00 0.00 N ATOM 1190 CA GLY A 75 4.775 -8.614 -8.399 1.00 0.00 C ATOM 1191 C GLY A 75 5.353 -8.204 -9.735 1.00 0.00 C ATOM 1192 O GLY A 75 5.514 -9.037 -10.627 1.00 0.00 O ATOM 0 H GLY A 75 4.300 -6.846 -7.393 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.586 -8.770 -7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.258 -9.568 -8.507 1.00 0.00 H new ATOM 1196 N ALA A 76 5.664 -6.920 -9.880 1.00 0.00 N ATOM 1197 CA ALA A 76 6.248 -6.416 -11.116 1.00 0.00 C ATOM 1198 C ALA A 76 7.726 -6.769 -11.185 1.00 0.00 C ATOM 1199 O ALA A 76 8.525 -6.310 -10.364 1.00 0.00 O ATOM 1200 CB ALA A 76 6.051 -4.913 -11.227 1.00 0.00 C ATOM 0 H ALA A 76 5.522 -6.212 -9.159 1.00 0.00 H new ATOM 0 HA ALA A 76 5.740 -6.889 -11.956 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.494 -4.556 -12.157 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.985 -4.684 -11.221 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.532 -4.420 -10.383 1.00 0.00 H new ATOM 1206 N VAL A 77 8.088 -7.601 -12.145 1.00 0.00 N ATOM 1207 CA VAL A 77 9.471 -8.016 -12.298 1.00 0.00 C ATOM 1208 C VAL A 77 10.191 -7.132 -13.301 1.00 0.00 C ATOM 1209 O VAL A 77 9.977 -7.235 -14.510 1.00 0.00 O ATOM 1210 CB VAL A 77 9.585 -9.487 -12.750 1.00 0.00 C ATOM 1211 CG1 VAL A 77 11.044 -9.913 -12.833 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.814 -10.396 -11.811 1.00 0.00 C ATOM 0 H VAL A 77 7.446 -8.002 -12.829 1.00 0.00 H new ATOM 0 HA VAL A 77 9.938 -7.917 -11.318 1.00 0.00 H new ATOM 0 HB VAL A 77 9.148 -9.573 -13.745 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.102 -10.953 -13.153 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.567 -9.282 -13.552 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.510 -9.809 -11.853 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.907 -11.429 -12.147 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.218 -10.305 -10.803 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.763 -10.108 -11.808 1.00 0.00 H new ATOM 1222 N ILE A 78 11.030 -6.250 -12.794 1.00 0.00 N ATOM 1223 CA ILE A 78 11.847 -5.412 -13.650 1.00 0.00 C ATOM 1224 C ILE A 78 13.193 -6.080 -13.844 1.00 0.00 C ATOM 1225 O ILE A 78 13.667 -6.802 -12.976 1.00 0.00 O ATOM 1226 CB ILE A 78 12.066 -3.993 -13.069 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.783 -3.467 -12.416 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.526 -3.036 -14.159 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.550 -3.622 -13.276 1.00 0.00 C ATOM 0 H ILE A 78 11.164 -6.095 -11.795 1.00 0.00 H new ATOM 0 HA ILE A 78 11.320 -5.296 -14.597 1.00 0.00 H new ATOM 0 HB ILE A 78 12.842 -4.057 -12.306 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.625 -3.992 -11.474 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.916 -2.412 -12.175 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.675 -2.044 -13.733 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.464 -3.393 -14.584 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.769 -2.985 -14.942 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.684 -3.227 -12.745 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.685 -3.074 -14.208 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.390 -4.678 -13.496 1.00 0.00 H new ATOM 1241 N HIS A 79 13.790 -5.863 -14.991 1.00 0.00 N ATOM 1242 CA HIS A 79 15.058 -6.484 -15.323 1.00 0.00 C ATOM 1243 C HIS A 79 16.093 -5.400 -15.500 1.00 0.00 C ATOM 1244 O HIS A 79 15.956 -4.544 -16.373 1.00 0.00 O ATOM 1245 CB HIS A 79 14.943 -7.304 -16.613 1.00 0.00 C ATOM 1246 CG HIS A 79 13.924 -8.404 -16.554 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.197 -9.711 -16.892 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.616 -8.375 -16.212 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.101 -10.436 -16.762 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.128 -9.648 -16.347 1.00 0.00 N ATOM 0 H HIS A 79 13.416 -5.255 -15.720 1.00 0.00 H new ATOM 0 HA HIS A 79 15.349 -7.159 -14.518 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.691 -6.634 -17.435 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.916 -7.738 -16.843 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.058 -7.507 -15.891 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.016 -11.494 -16.961 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.169 -9.939 -16.158 1.00 0.00 H new ATOM 1259 N LEU A 80 17.098 -5.413 -14.654 1.00 0.00 N ATOM 1260 CA LEU A 80 18.167 -4.442 -14.751 1.00 0.00 C ATOM 1261 C LEU A 80 19.194 -4.916 -15.769 1.00 0.00 C ATOM 1262 O LEU A 80 19.596 -6.082 -15.762 1.00 0.00 O ATOM 1263 CB LEU A 80 18.838 -4.222 -13.392 1.00 0.00 C ATOM 1264 CG LEU A 80 20.091 -3.343 -13.426 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.770 -1.959 -13.959 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.718 -3.246 -12.051 1.00 0.00 C ATOM 0 H LEU A 80 17.199 -6.083 -13.892 1.00 0.00 H new ATOM 0 HA LEU A 80 17.743 -3.492 -15.074 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.113 -3.770 -12.714 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.104 -5.193 -12.973 1.00 0.00 H new ATOM 0 HG LEU A 80 20.808 -3.811 -14.100 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.677 -1.355 -13.973 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.374 -2.042 -14.971 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.028 -1.485 -13.317 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.607 -2.617 -12.100 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.002 -2.810 -11.355 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.997 -4.242 -11.707 1.00 0.00 H new ATOM 1278 N ALA A 81 19.602 -4.023 -16.649 1.00 0.00 N ATOM 1279 CA ALA A 81 20.565 -4.358 -17.674 1.00 0.00 C ATOM 1280 C ALA A 81 21.424 -3.152 -18.007 1.00 0.00 C ATOM 1281 O ALA A 81 20.977 -2.010 -17.895 1.00 0.00 O ATOM 1282 CB ALA A 81 19.846 -4.867 -18.909 1.00 0.00 C ATOM 0 H ALA A 81 19.279 -3.056 -16.673 1.00 0.00 H new ATOM 0 HA ALA A 81 21.220 -5.146 -17.304 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.577 -5.118 -19.678 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.269 -5.755 -18.654 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.175 -4.094 -19.284 1.00 0.00 H new ATOM 1288 N LEU A 82 22.663 -3.401 -18.389 1.00 0.00 N ATOM 1289 CA LEU A 82 23.563 -2.324 -18.747 1.00 0.00 C ATOM 1290 C LEU A 82 23.341 -1.899 -20.197 1.00 0.00 C ATOM 1291 O LEU A 82 23.356 -2.729 -21.104 1.00 0.00 O ATOM 1292 CB LEU A 82 25.017 -2.745 -18.530 1.00 0.00 C ATOM 1293 CG LEU A 82 26.038 -1.619 -18.693 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.688 -0.448 -17.789 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.434 -2.120 -18.380 1.00 0.00 C ATOM 0 H LEU A 82 23.066 -4.335 -18.459 1.00 0.00 H new ATOM 0 HA LEU A 82 23.351 -1.471 -18.102 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.114 -3.163 -17.528 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.259 -3.542 -19.233 1.00 0.00 H new ATOM 0 HG LEU A 82 26.012 -1.280 -19.729 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.425 0.344 -17.918 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.700 -0.070 -18.050 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.688 -0.778 -16.750 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.148 -1.306 -18.501 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.468 -2.483 -17.353 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.690 -2.932 -19.061 1.00 0.00 H new