USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 845 hydrogens (30 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD Set 1.1: A 76 SER OG : rot 66:sc= 0.985 USER MOD Set 1.2: A 400 HEM CMB :methyl -30:sc= -0.366 (180deg=-0.0383) USER MOD Set 2.1: A 26 THR OG1 : rot 71:sc= 0.266 USER MOD Set 2.2: A 38 THR OG1 : rot -84:sc= 1.45 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0.85 (180deg=0.661) USER MOD Single : A 4 GLN : amide:sc= -0.195 K(o=-0.2,f=-1.7!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.106 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -145:sc= 1.25 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0965 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= -0.05 (180deg=-0.373) USER MOD Single : A 20 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.5!) USER MOD Single : A 21 ASN : amide:sc= 0.656 K(o=0.66,f=-0.7) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 23 SER OG : rot -83:sc= 0.14 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.329 USER MOD Single : A 31 HIS : no HD1:sc= -0.589 K(o=-0.59,f=-4!) USER MOD Single : A 32 HIS : no HD1:sc=-0.000149 X(o=-0.00015,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= 1.24 (180deg=1.08) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.53) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.99 USER MOD Single : A 62 ASN : amide:sc= -3.2! C(o=-3.2!,f=-5.2!) USER MOD Single : A 69 SER OG : rot -93:sc= 1.23 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -40:sc= 0.0419 USER MOD Single : A 85 HIS : no HD1:sc= -0.0979 K(o=-0.098,f=-2.5!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= -0.508 USER MOD Single : A 94 LYS NZ :NH3+ -144:sc= 1.08 (180deg=-1.53!) USER MOD Single : A 96 MET CE :methyl 149:sc= -0.249 (180deg=-2.13) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 400 HEM CMA :methyl -30:sc= -0.85 (180deg=-3.31!) USER MOD Single : A 400 HEM CMC :methyl -30:sc= -0.775 (180deg=-2.59) USER MOD Single : A 400 HEM CMD :methyl -30:sc= -0.559 (180deg=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.129 -12.771 17.314 1.00 1.40 N ATOM 2 CA MET A 1 20.908 -12.677 18.148 1.00 1.19 C ATOM 3 C MET A 1 19.682 -12.397 17.285 1.00 1.07 C ATOM 4 O MET A 1 18.864 -13.287 17.050 1.00 1.47 O ATOM 5 CB MET A 1 21.060 -11.579 19.204 1.00 1.39 C ATOM 6 CG MET A 1 21.741 -12.040 20.481 1.00 1.77 C ATOM 7 SD MET A 1 23.412 -12.653 20.200 1.00 2.23 S ATOM 8 CE MET A 1 23.940 -12.958 21.884 1.00 2.70 C ATOM 0 H1 MET A 1 22.969 -12.775 17.927 1.00 1.40 H new ATOM 0 H2 MET A 1 22.103 -13.649 16.758 1.00 1.40 H new ATOM 0 H3 MET A 1 22.174 -11.955 16.671 1.00 1.40 H new ATOM 0 HA MET A 1 20.771 -13.635 18.650 1.00 1.19 H new ATOM 0 HB2 MET A 1 21.631 -10.755 18.777 1.00 1.39 H new ATOM 0 HB3 MET A 1 20.073 -11.188 19.451 1.00 1.39 H new ATOM 0 HG2 MET A 1 21.777 -11.211 21.188 1.00 1.77 H new ATOM 0 HG3 MET A 1 21.143 -12.826 20.942 1.00 1.77 H new ATOM 0 HE1 MET A 1 24.960 -13.343 21.882 1.00 2.70 H new ATOM 0 HE2 MET A 1 23.905 -12.028 22.451 1.00 2.70 H new ATOM 0 HE3 MET A 1 23.277 -13.690 22.346 1.00 2.70 H new ATOM 20 N ALA A 2 19.567 -11.165 16.805 1.00 0.86 N ATOM 21 CA ALA A 2 18.435 -10.770 15.977 1.00 0.87 C ATOM 22 C ALA A 2 18.829 -10.679 14.506 1.00 0.72 C ATOM 23 O ALA A 2 19.426 -9.691 14.067 1.00 0.87 O ATOM 24 CB ALA A 2 17.867 -9.441 16.455 1.00 1.10 C ATOM 0 H ALA A 2 20.245 -10.422 16.975 1.00 0.86 H new ATOM 0 HA ALA A 2 17.667 -11.538 16.072 1.00 0.87 H new ATOM 0 HB1 ALA A 2 17.022 -9.159 15.827 1.00 1.10 H new ATOM 0 HB2 ALA A 2 17.534 -9.538 17.488 1.00 1.10 H new ATOM 0 HB3 ALA A 2 18.638 -8.673 16.393 1.00 1.10 H new ATOM 30 N ALA A 3 18.495 -11.713 13.751 1.00 0.71 N ATOM 31 CA ALA A 3 18.798 -11.763 12.328 1.00 0.72 C ATOM 32 C ALA A 3 17.807 -12.663 11.610 1.00 0.70 C ATOM 33 O ALA A 3 17.885 -13.891 11.697 1.00 1.05 O ATOM 34 CB ALA A 3 20.223 -12.242 12.091 1.00 0.96 C ATOM 0 H ALA A 3 18.009 -12.537 14.104 1.00 0.71 H new ATOM 0 HA ALA A 3 18.710 -10.754 11.925 1.00 0.72 H new ATOM 0 HB1 ALA A 3 20.424 -12.270 11.020 1.00 0.96 H new ATOM 0 HB2 ALA A 3 20.922 -11.558 12.573 1.00 0.96 H new ATOM 0 HB3 ALA A 3 20.345 -13.241 12.510 1.00 0.96 H new ATOM 40 N GLN A 4 16.863 -12.047 10.921 1.00 0.66 N ATOM 41 CA GLN A 4 15.849 -12.782 10.186 1.00 0.68 C ATOM 42 C GLN A 4 15.518 -12.073 8.880 1.00 0.66 C ATOM 43 O GLN A 4 15.455 -10.841 8.829 1.00 0.81 O ATOM 44 CB GLN A 4 14.585 -12.943 11.038 1.00 0.83 C ATOM 45 CG GLN A 4 14.030 -11.626 11.561 1.00 0.97 C ATOM 46 CD GLN A 4 13.431 -11.754 12.944 1.00 1.33 C ATOM 47 OE1 GLN A 4 13.865 -12.576 13.747 1.00 1.79 O ATOM 48 NE2 GLN A 4 12.438 -10.934 13.235 1.00 1.63 N ATOM 0 H GLN A 4 16.777 -11.033 10.855 1.00 0.66 H new ATOM 0 HA GLN A 4 16.242 -13.772 9.953 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.818 -13.441 10.444 1.00 0.83 H new ATOM 0 HB3 GLN A 4 14.807 -13.595 11.883 1.00 0.83 H new ATOM 0 HG2 GLN A 4 14.827 -10.883 11.582 1.00 0.97 H new ATOM 0 HG3 GLN A 4 13.269 -11.258 10.873 1.00 0.97 H new ATOM 0 HE21 GLN A 4 12.108 -10.266 12.539 1.00 1.63 H new ATOM 0 HE22 GLN A 4 12.001 -10.969 14.156 1.00 1.63 H new ATOM 57 N SER A 5 15.345 -12.845 7.819 1.00 0.71 N ATOM 58 CA SER A 5 15.018 -12.289 6.515 1.00 0.76 C ATOM 59 C SER A 5 14.165 -13.271 5.718 1.00 0.73 C ATOM 60 O SER A 5 14.686 -14.175 5.060 1.00 1.11 O ATOM 61 CB SER A 5 16.299 -11.945 5.750 1.00 0.98 C ATOM 62 OG SER A 5 17.184 -11.189 6.562 1.00 1.18 O ATOM 0 H SER A 5 15.426 -13.862 7.835 1.00 0.71 H new ATOM 0 HA SER A 5 14.444 -11.373 6.659 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.791 -12.862 5.424 1.00 0.98 H new ATOM 0 HB3 SER A 5 16.051 -11.380 4.851 1.00 0.98 H new ATOM 0 HG SER A 5 17.996 -10.981 6.055 1.00 1.18 H new ATOM 68 N ASP A 6 12.853 -13.101 5.794 1.00 0.62 N ATOM 69 CA ASP A 6 11.923 -13.971 5.085 1.00 0.68 C ATOM 70 C ASP A 6 10.682 -13.194 4.671 1.00 0.58 C ATOM 71 O ASP A 6 10.123 -12.438 5.464 1.00 0.80 O ATOM 72 CB ASP A 6 11.532 -15.160 5.965 1.00 0.89 C ATOM 73 CG ASP A 6 10.579 -16.111 5.270 1.00 1.54 C ATOM 74 OD1 ASP A 6 11.026 -16.849 4.363 1.00 1.98 O ATOM 75 OD2 ASP A 6 9.383 -16.128 5.634 1.00 2.18 O ATOM 0 H ASP A 6 12.406 -12.366 6.342 1.00 0.62 H new ATOM 0 HA ASP A 6 12.415 -14.346 4.188 1.00 0.68 H new ATOM 0 HB2 ASP A 6 12.431 -15.702 6.257 1.00 0.89 H new ATOM 0 HB3 ASP A 6 11.069 -14.793 6.881 1.00 0.89 H new ATOM 80 N LYS A 7 10.261 -13.373 3.429 1.00 0.54 N ATOM 81 CA LYS A 7 9.096 -12.671 2.916 1.00 0.58 C ATOM 82 C LYS A 7 8.063 -13.641 2.355 1.00 0.53 C ATOM 83 O LYS A 7 8.293 -14.296 1.336 1.00 0.85 O ATOM 84 CB LYS A 7 9.509 -11.673 1.829 1.00 0.81 C ATOM 85 CG LYS A 7 10.499 -10.617 2.300 1.00 1.05 C ATOM 86 CD LYS A 7 9.890 -9.714 3.359 1.00 1.24 C ATOM 87 CE LYS A 7 10.935 -8.803 3.988 1.00 1.58 C ATOM 88 NZ LYS A 7 10.438 -8.172 5.240 1.00 1.91 N ATOM 0 H LYS A 7 10.708 -13.998 2.758 1.00 0.54 H new ATOM 0 HA LYS A 7 8.644 -12.133 3.749 1.00 0.58 H new ATOM 0 HB2 LYS A 7 9.948 -12.221 0.995 1.00 0.81 H new ATOM 0 HB3 LYS A 7 8.617 -11.176 1.449 1.00 0.81 H new ATOM 0 HG2 LYS A 7 11.387 -11.104 2.703 1.00 1.05 H new ATOM 0 HG3 LYS A 7 10.823 -10.016 1.450 1.00 1.05 H new ATOM 0 HD2 LYS A 7 9.101 -9.109 2.912 1.00 1.24 H new ATOM 0 HD3 LYS A 7 9.424 -10.323 4.134 1.00 1.24 H new ATOM 0 HE2 LYS A 7 11.836 -9.378 4.204 1.00 1.58 H new ATOM 0 HE3 LYS A 7 11.215 -8.026 3.276 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 11.178 -7.559 5.638 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 9.593 -7.603 5.030 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 10.194 -8.912 5.929 1.00 1.91 H new ATOM 102 N ASP A 8 6.928 -13.730 3.030 1.00 0.50 N ATOM 103 CA ASP A 8 5.841 -14.599 2.597 1.00 0.54 C ATOM 104 C ASP A 8 4.675 -13.739 2.138 1.00 0.51 C ATOM 105 O ASP A 8 4.249 -12.834 2.854 1.00 0.83 O ATOM 106 CB ASP A 8 5.411 -15.532 3.730 1.00 0.75 C ATOM 107 CG ASP A 8 4.294 -16.475 3.328 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.345 -17.031 2.209 1.00 1.72 O ATOM 109 OD2 ASP A 8 3.363 -16.673 4.139 1.00 1.44 O ATOM 0 H ASP A 8 6.733 -13.209 3.885 1.00 0.50 H new ATOM 0 HA ASP A 8 6.182 -15.220 1.769 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.271 -16.115 4.059 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.086 -14.935 4.582 1.00 0.75 H new ATOM 114 N VAL A 9 4.176 -14.016 0.942 1.00 0.39 N ATOM 115 CA VAL A 9 3.083 -13.241 0.373 1.00 0.35 C ATOM 116 C VAL A 9 1.755 -13.526 1.078 1.00 0.33 C ATOM 117 O VAL A 9 1.260 -14.654 1.088 1.00 0.44 O ATOM 118 CB VAL A 9 2.947 -13.486 -1.153 1.00 0.44 C ATOM 119 CG1 VAL A 9 2.704 -14.956 -1.469 1.00 0.55 C ATOM 120 CG2 VAL A 9 1.839 -12.626 -1.739 1.00 0.47 C ATOM 0 H VAL A 9 4.511 -14.773 0.346 1.00 0.39 H new ATOM 0 HA VAL A 9 3.328 -12.191 0.531 1.00 0.35 H new ATOM 0 HB VAL A 9 3.893 -13.201 -1.614 1.00 0.44 H new ATOM 0 HG11 VAL A 9 2.614 -15.086 -2.547 1.00 0.55 H new ATOM 0 HG12 VAL A 9 3.540 -15.550 -1.100 1.00 0.55 H new ATOM 0 HG13 VAL A 9 1.784 -15.285 -0.986 1.00 0.55 H new ATOM 0 HG21 VAL A 9 1.761 -12.813 -2.810 1.00 0.47 H new ATOM 0 HG22 VAL A 9 0.893 -12.873 -1.257 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.068 -11.574 -1.571 1.00 0.47 H new ATOM 130 N LYS A 10 1.198 -12.494 1.692 1.00 0.30 N ATOM 131 CA LYS A 10 -0.072 -12.609 2.386 1.00 0.34 C ATOM 132 C LYS A 10 -1.158 -11.859 1.623 1.00 0.34 C ATOM 133 O LYS A 10 -1.089 -10.642 1.460 1.00 0.48 O ATOM 134 CB LYS A 10 0.051 -12.059 3.805 1.00 0.42 C ATOM 135 CG LYS A 10 0.164 -13.137 4.871 1.00 0.93 C ATOM 136 CD LYS A 10 -1.203 -13.541 5.394 1.00 0.98 C ATOM 137 CE LYS A 10 -1.122 -14.756 6.305 1.00 1.27 C ATOM 138 NZ LYS A 10 -1.011 -16.023 5.536 1.00 1.97 N ATOM 0 H LYS A 10 1.610 -11.562 1.723 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.347 -13.662 2.442 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.927 -11.413 3.860 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -0.818 -11.437 4.021 1.00 0.42 H new ATOM 0 HG2 LYS A 10 0.670 -14.009 4.457 1.00 0.93 H new ATOM 0 HG3 LYS A 10 0.778 -12.774 5.695 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -1.645 -12.707 5.939 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -1.863 -13.759 4.555 1.00 0.98 H new ATOM 0 HE2 LYS A 10 -0.261 -14.657 6.966 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -2.008 -14.793 6.939 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -0.958 -16.826 6.195 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -1.845 -16.132 4.924 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -0.152 -15.999 4.950 1.00 1.97 H new ATOM 152 N TYR A 11 -2.153 -12.591 1.152 1.00 0.34 N ATOM 153 CA TYR A 11 -3.249 -11.993 0.397 1.00 0.35 C ATOM 154 C TYR A 11 -4.332 -11.455 1.326 1.00 0.33 C ATOM 155 O TYR A 11 -5.287 -12.159 1.662 1.00 0.39 O ATOM 156 CB TYR A 11 -3.849 -13.015 -0.576 1.00 0.43 C ATOM 157 CG TYR A 11 -2.999 -13.263 -1.806 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.891 -14.102 -1.758 1.00 0.85 C ATOM 159 CD2 TYR A 11 -3.310 -12.661 -3.021 1.00 0.81 C ATOM 160 CE1 TYR A 11 -1.118 -14.333 -2.880 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.541 -12.889 -4.147 1.00 0.95 C ATOM 162 CZ TYR A 11 -1.447 -13.724 -4.072 1.00 0.83 C ATOM 163 OH TYR A 11 -0.677 -13.949 -5.195 1.00 1.03 O ATOM 0 H TYR A 11 -2.228 -13.601 1.277 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.844 -11.156 -0.172 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.996 -13.959 -0.051 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.834 -12.669 -0.890 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.630 -14.582 -0.826 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -4.166 -12.005 -3.086 1.00 0.81 H new ATOM 0 HE1 TYR A 11 -0.261 -14.987 -2.823 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -2.797 -12.414 -5.083 1.00 0.95 H new ATOM 0 HH TYR A 11 -0.645 -13.134 -5.738 1.00 1.03 H new ATOM 173 N TYR A 12 -4.173 -10.210 1.746 1.00 0.37 N ATOM 174 CA TYR A 12 -5.138 -9.571 2.629 1.00 0.41 C ATOM 175 C TYR A 12 -6.366 -9.134 1.840 1.00 0.42 C ATOM 176 O TYR A 12 -6.302 -8.981 0.618 1.00 0.45 O ATOM 177 CB TYR A 12 -4.512 -8.361 3.324 1.00 0.45 C ATOM 178 CG TYR A 12 -3.302 -8.688 4.173 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.439 -9.335 5.396 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.024 -8.345 3.752 1.00 0.70 C ATOM 181 CE1 TYR A 12 -2.336 -9.628 6.174 1.00 0.91 C ATOM 182 CE2 TYR A 12 -0.916 -8.634 4.523 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.077 -9.275 5.732 1.00 0.82 C ATOM 184 OH TYR A 12 0.024 -9.563 6.505 1.00 1.02 O ATOM 0 H TYR A 12 -3.382 -9.619 1.489 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.439 -10.294 3.387 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.224 -7.631 2.568 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.266 -7.888 3.953 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.423 -9.613 5.743 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.895 -7.843 2.804 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -2.458 -10.130 7.122 1.00 0.91 H new ATOM 0 HE2 TYR A 12 0.071 -8.359 4.181 1.00 0.82 H new ATOM 0 HH TYR A 12 0.834 -9.250 6.051 1.00 1.02 H new ATOM 194 N THR A 13 -7.484 -8.936 2.525 1.00 0.47 N ATOM 195 CA THR A 13 -8.708 -8.515 1.860 1.00 0.51 C ATOM 196 C THR A 13 -8.751 -6.994 1.705 1.00 0.47 C ATOM 197 O THR A 13 -8.044 -6.270 2.412 1.00 0.46 O ATOM 198 CB THR A 13 -9.954 -9.000 2.626 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.622 -9.247 3.999 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.508 -10.271 2.000 1.00 0.86 C ATOM 0 H THR A 13 -7.568 -9.059 3.534 1.00 0.47 H new ATOM 0 HA THR A 13 -8.713 -8.969 0.869 1.00 0.51 H new ATOM 0 HB THR A 13 -10.714 -8.221 2.571 1.00 0.62 H new ATOM 0 HG1 THR A 13 -10.420 -9.553 4.478 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.387 -10.597 2.556 1.00 0.86 H new ATOM 0 HG22 THR A 13 -10.785 -10.075 0.964 1.00 0.86 H new ATOM 0 HG23 THR A 13 -9.749 -11.053 2.031 1.00 0.86 H new ATOM 208 N LEU A 14 -9.586 -6.517 0.788 1.00 0.50 N ATOM 209 CA LEU A 14 -9.715 -5.083 0.526 1.00 0.51 C ATOM 210 C LEU A 14 -10.174 -4.335 1.770 1.00 0.48 C ATOM 211 O LEU A 14 -9.592 -3.321 2.148 1.00 0.51 O ATOM 212 CB LEU A 14 -10.701 -4.833 -0.617 1.00 0.58 C ATOM 213 CG LEU A 14 -10.097 -4.890 -2.022 1.00 0.73 C ATOM 214 CD1 LEU A 14 -9.705 -6.311 -2.381 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.073 -4.335 -3.044 1.00 0.95 C ATOM 0 H LEU A 14 -10.188 -7.104 0.210 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.731 -4.710 0.240 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -11.502 -5.570 -0.553 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.157 -3.853 -0.474 1.00 0.58 H new ATOM 0 HG LEU A 14 -9.198 -4.274 -2.032 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.278 -6.328 -3.384 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.968 -6.677 -1.666 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -10.587 -6.950 -2.351 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -10.627 -4.383 -4.037 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.990 -4.924 -3.029 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -11.304 -3.298 -2.800 1.00 0.95 H new ATOM 227 N GLU A 15 -11.204 -4.864 2.417 1.00 0.50 N ATOM 228 CA GLU A 15 -11.764 -4.257 3.621 1.00 0.53 C ATOM 229 C GLU A 15 -10.807 -4.392 4.804 1.00 0.51 C ATOM 230 O GLU A 15 -11.028 -3.816 5.868 1.00 0.61 O ATOM 231 CB GLU A 15 -13.115 -4.895 3.959 1.00 0.61 C ATOM 232 CG GLU A 15 -13.092 -6.421 4.002 1.00 0.67 C ATOM 233 CD GLU A 15 -13.398 -7.057 2.659 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.485 -7.140 1.809 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.555 -7.479 2.445 1.00 1.05 O ATOM 0 H GLU A 15 -11.674 -5.721 2.126 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.912 -3.195 3.424 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.449 -4.520 4.926 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.851 -4.574 3.221 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.111 -6.755 4.341 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.818 -6.769 4.737 1.00 0.67 H new ATOM 242 N GLU A 16 -9.740 -5.143 4.602 1.00 0.46 N ATOM 243 CA GLU A 16 -8.748 -5.366 5.635 1.00 0.50 C ATOM 244 C GLU A 16 -7.588 -4.390 5.483 1.00 0.46 C ATOM 245 O GLU A 16 -7.106 -3.820 6.465 1.00 0.51 O ATOM 246 CB GLU A 16 -8.255 -6.809 5.553 1.00 0.58 C ATOM 247 CG GLU A 16 -7.140 -7.151 6.525 1.00 1.05 C ATOM 248 CD GLU A 16 -6.816 -8.629 6.520 1.00 1.60 C ATOM 249 OE1 GLU A 16 -6.892 -9.256 5.444 1.00 2.19 O ATOM 250 OE2 GLU A 16 -6.493 -9.170 7.596 1.00 2.32 O ATOM 0 H GLU A 16 -9.538 -5.614 3.720 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.199 -5.196 6.613 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.096 -7.478 5.735 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.907 -7.003 4.538 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -6.246 -6.583 6.266 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -7.430 -6.847 7.531 1.00 1.05 H new ATOM 257 N ILE A 17 -7.150 -4.185 4.248 1.00 0.42 N ATOM 258 CA ILE A 17 -6.037 -3.286 3.976 1.00 0.44 C ATOM 259 C ILE A 17 -6.452 -1.816 4.044 1.00 0.43 C ATOM 260 O ILE A 17 -5.730 -0.993 4.607 1.00 0.48 O ATOM 261 CB ILE A 17 -5.389 -3.567 2.602 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.443 -3.570 1.490 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.645 -4.894 2.628 1.00 0.58 C ATOM 264 CD1 ILE A 17 -5.865 -3.735 0.103 1.00 0.98 C ATOM 0 H ILE A 17 -7.548 -4.628 3.420 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.304 -3.479 4.759 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.676 -2.769 2.394 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -7.152 -4.376 1.676 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.004 -2.636 1.531 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -4.194 -5.078 1.653 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.864 -4.859 3.388 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.343 -5.698 2.862 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -6.671 -3.728 -0.630 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -5.178 -2.915 -0.105 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.328 -4.682 0.043 1.00 0.98 H new ATOM 276 N LYS A 18 -7.628 -1.488 3.506 1.00 0.42 N ATOM 277 CA LYS A 18 -8.098 -0.103 3.501 1.00 0.48 C ATOM 278 C LYS A 18 -8.582 0.331 4.881 1.00 0.50 C ATOM 279 O LYS A 18 -8.946 1.487 5.083 1.00 0.63 O ATOM 280 CB LYS A 18 -9.204 0.103 2.464 1.00 0.56 C ATOM 281 CG LYS A 18 -10.559 -0.465 2.867 1.00 0.53 C ATOM 282 CD LYS A 18 -11.700 0.304 2.215 1.00 0.87 C ATOM 283 CE LYS A 18 -11.495 0.451 0.716 1.00 1.05 C ATOM 284 NZ LYS A 18 -12.468 1.393 0.109 1.00 1.48 N ATOM 0 H LYS A 18 -8.266 -2.155 3.072 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.247 0.522 3.228 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.313 1.171 2.275 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.895 -0.357 1.525 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.615 -1.515 2.580 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.664 -0.425 3.951 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.641 -0.212 2.405 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.780 1.291 2.670 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.482 0.802 0.522 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.591 -0.525 0.240 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -12.292 1.463 -0.914 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -13.435 1.046 0.271 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -12.360 2.332 0.544 1.00 1.48 H new ATOM 298 N LYS A 19 -8.601 -0.600 5.820 1.00 0.47 N ATOM 299 CA LYS A 19 -9.022 -0.295 7.176 1.00 0.53 C ATOM 300 C LYS A 19 -7.822 -0.393 8.113 1.00 0.54 C ATOM 301 O LYS A 19 -7.930 -0.205 9.324 1.00 0.67 O ATOM 302 CB LYS A 19 -10.135 -1.249 7.620 1.00 0.60 C ATOM 303 CG LYS A 19 -10.862 -0.810 8.886 1.00 0.84 C ATOM 304 CD LYS A 19 -11.653 0.476 8.682 1.00 1.09 C ATOM 305 CE LYS A 19 -12.925 0.238 7.881 1.00 1.31 C ATOM 306 NZ LYS A 19 -13.889 -0.618 8.619 1.00 1.68 N ATOM 0 H LYS A 19 -8.330 -1.572 5.668 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.418 0.720 7.210 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.860 -1.345 6.812 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.707 -2.238 7.784 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.538 -1.602 9.208 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -10.137 -0.665 9.687 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -11.909 0.903 9.652 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -11.031 1.207 8.166 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -13.392 1.195 7.648 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -12.674 -0.233 6.931 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -14.842 -0.488 8.224 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -13.609 -1.615 8.527 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -13.892 -0.351 9.624 1.00 1.68 H new ATOM 320 N HIS A 20 -6.667 -0.672 7.532 1.00 0.55 N ATOM 321 CA HIS A 20 -5.442 -0.805 8.304 1.00 0.59 C ATOM 322 C HIS A 20 -4.673 0.503 8.333 1.00 0.58 C ATOM 323 O HIS A 20 -3.754 0.658 9.131 1.00 0.66 O ATOM 324 CB HIS A 20 -4.556 -1.911 7.722 1.00 0.68 C ATOM 325 CG HIS A 20 -4.446 -3.119 8.602 1.00 0.74 C ATOM 326 ND1 HIS A 20 -5.324 -4.181 8.537 1.00 0.90 N ATOM 327 CD2 HIS A 20 -3.544 -3.439 9.563 1.00 0.98 C ATOM 328 CE1 HIS A 20 -4.970 -5.100 9.416 1.00 1.07 C ATOM 329 NE2 HIS A 20 -3.894 -4.675 10.049 1.00 1.13 N ATOM 0 H HIS A 20 -6.552 -0.811 6.528 1.00 0.55 H new ATOM 0 HA HIS A 20 -5.720 -1.070 9.324 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -4.955 -2.213 6.754 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -3.558 -1.510 7.544 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.123 -4.246 7.907 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -2.708 -2.836 9.885 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -5.475 -6.039 9.587 1.00 1.07 H new ATOM 338 N ASN A 21 -5.070 1.443 7.479 1.00 0.58 N ATOM 339 CA ASN A 21 -4.405 2.741 7.382 1.00 0.61 C ATOM 340 C ASN A 21 -4.342 3.453 8.728 1.00 0.60 C ATOM 341 O ASN A 21 -5.322 4.023 9.205 1.00 0.75 O ATOM 342 CB ASN A 21 -5.079 3.647 6.339 1.00 0.72 C ATOM 343 CG ASN A 21 -6.598 3.588 6.347 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.228 3.273 7.356 1.00 0.96 O ATOM 345 ND2 ASN A 21 -7.198 3.914 5.216 1.00 0.88 N ATOM 0 H ASN A 21 -5.856 1.329 6.839 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.384 2.539 7.057 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.766 4.677 6.513 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.721 3.368 5.348 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -8.216 3.910 5.159 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.643 4.170 4.399 1.00 0.88 H new ATOM 352 N HIS A 22 -3.170 3.395 9.336 1.00 0.64 N ATOM 353 CA HIS A 22 -2.925 4.018 10.624 1.00 0.76 C ATOM 354 C HIS A 22 -1.494 4.533 10.670 1.00 0.88 C ATOM 355 O HIS A 22 -0.689 4.206 9.797 1.00 1.61 O ATOM 356 CB HIS A 22 -3.163 3.015 11.761 1.00 0.83 C ATOM 357 CG HIS A 22 -4.611 2.770 12.067 1.00 0.87 C ATOM 358 ND1 HIS A 22 -5.241 1.572 11.808 1.00 1.32 N ATOM 359 CD2 HIS A 22 -5.558 3.579 12.607 1.00 1.17 C ATOM 360 CE1 HIS A 22 -6.508 1.652 12.173 1.00 1.29 C ATOM 361 NE2 HIS A 22 -6.724 2.858 12.659 1.00 1.09 N ATOM 0 H HIS A 22 -2.359 2.913 8.949 1.00 0.64 H new ATOM 0 HA HIS A 22 -3.615 4.851 10.754 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -2.692 2.067 11.500 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -2.669 3.379 12.662 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -5.419 4.599 12.934 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -7.242 0.864 12.088 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -7.616 3.201 13.017 1.00 1.09 H new ATOM 370 N SER A 23 -1.170 5.314 11.691 1.00 0.60 N ATOM 371 CA SER A 23 0.175 5.867 11.837 1.00 0.62 C ATOM 372 C SER A 23 1.202 4.757 12.068 1.00 0.52 C ATOM 373 O SER A 23 2.396 4.930 11.814 1.00 0.62 O ATOM 374 CB SER A 23 0.193 6.858 12.999 1.00 0.84 C ATOM 375 OG SER A 23 -0.967 6.711 13.803 1.00 1.32 O ATOM 0 H SER A 23 -1.818 5.581 12.432 1.00 0.60 H new ATOM 0 HA SER A 23 0.444 6.383 10.916 1.00 0.62 H new ATOM 0 HB2 SER A 23 1.084 6.698 13.606 1.00 0.84 H new ATOM 0 HB3 SER A 23 0.248 7.876 12.614 1.00 0.84 H new ATOM 0 HG SER A 23 -1.708 7.212 13.403 1.00 1.32 H new ATOM 381 N LYS A 24 0.721 3.615 12.542 1.00 0.51 N ATOM 382 CA LYS A 24 1.578 2.467 12.805 1.00 0.51 C ATOM 383 C LYS A 24 1.280 1.335 11.826 1.00 0.44 C ATOM 384 O LYS A 24 1.693 0.196 12.031 1.00 0.45 O ATOM 385 CB LYS A 24 1.393 1.994 14.251 1.00 0.71 C ATOM 386 CG LYS A 24 -0.061 1.803 14.656 1.00 0.97 C ATOM 387 CD LYS A 24 -0.259 2.051 16.142 1.00 1.41 C ATOM 388 CE LYS A 24 -1.721 1.916 16.545 1.00 1.88 C ATOM 389 NZ LYS A 24 -1.962 2.389 17.934 1.00 2.36 N ATOM 0 H LYS A 24 -0.265 3.459 12.753 1.00 0.51 H new ATOM 0 HA LYS A 24 2.616 2.768 12.666 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.924 1.052 14.385 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.855 2.719 14.922 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -0.692 2.484 14.085 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -0.379 0.790 14.409 1.00 0.97 H new ATOM 0 HD2 LYS A 24 0.343 1.343 16.712 1.00 1.41 H new ATOM 0 HD3 LYS A 24 0.098 3.049 16.395 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -2.342 2.487 15.855 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -2.026 0.873 16.459 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -2.969 2.280 18.168 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -1.390 1.827 18.596 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -1.696 3.391 18.011 1.00 2.36 H new ATOM 403 N SER A 25 0.556 1.663 10.757 1.00 0.43 N ATOM 404 CA SER A 25 0.196 0.689 9.729 1.00 0.42 C ATOM 405 C SER A 25 -0.140 1.394 8.413 1.00 0.42 C ATOM 406 O SER A 25 -1.229 1.225 7.864 1.00 0.50 O ATOM 407 CB SER A 25 -1.001 -0.159 10.181 1.00 0.48 C ATOM 408 OG SER A 25 -0.784 -0.729 11.460 1.00 0.83 O ATOM 0 H SER A 25 0.205 2.604 10.580 1.00 0.43 H new ATOM 0 HA SER A 25 1.053 0.035 9.572 1.00 0.42 H new ATOM 0 HB2 SER A 25 -1.898 0.460 10.206 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.181 -0.952 9.455 1.00 0.48 H new ATOM 0 HG SER A 25 -1.566 -1.261 11.718 1.00 0.83 H new ATOM 414 N THR A 26 0.785 2.206 7.924 1.00 0.42 N ATOM 415 CA THR A 26 0.577 2.928 6.676 1.00 0.43 C ATOM 416 C THR A 26 0.864 2.034 5.473 1.00 0.36 C ATOM 417 O THR A 26 2.009 1.917 5.027 1.00 0.41 O ATOM 418 CB THR A 26 1.459 4.188 6.604 1.00 0.51 C ATOM 419 OG1 THR A 26 1.373 4.905 7.842 1.00 0.64 O ATOM 420 CG2 THR A 26 1.029 5.093 5.455 1.00 0.56 C ATOM 0 H THR A 26 1.685 2.382 8.370 1.00 0.42 H new ATOM 0 HA THR A 26 -0.469 3.233 6.651 1.00 0.43 H new ATOM 0 HB THR A 26 2.489 3.878 6.427 1.00 0.51 H new ATOM 0 HG1 THR A 26 1.846 4.408 8.542 1.00 0.64 H new ATOM 0 HG21 THR A 26 1.669 5.975 5.428 1.00 0.56 H new ATOM 0 HG22 THR A 26 1.117 4.552 4.513 1.00 0.56 H new ATOM 0 HG23 THR A 26 -0.006 5.400 5.602 1.00 0.56 H new ATOM 428 N TRP A 27 -0.181 1.390 4.968 1.00 0.35 N ATOM 429 CA TRP A 27 -0.060 0.506 3.817 1.00 0.33 C ATOM 430 C TRP A 27 -0.510 1.216 2.547 1.00 0.32 C ATOM 431 O TRP A 27 -1.527 1.909 2.545 1.00 0.36 O ATOM 432 CB TRP A 27 -0.907 -0.757 4.015 1.00 0.38 C ATOM 433 CG TRP A 27 -0.400 -1.672 5.086 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.735 -1.520 5.821 1.00 0.43 C ATOM 435 CD2 TRP A 27 -1.015 -2.887 5.538 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.872 -2.563 6.703 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.192 -3.418 6.550 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.179 -3.576 5.189 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -0.497 -4.608 7.211 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -2.482 -4.756 5.842 1.00 0.68 C ATOM 441 CH2 TRP A 27 -1.646 -5.261 6.846 1.00 0.71 C ATOM 0 H TRP A 27 -1.127 1.465 5.341 1.00 0.35 H new ATOM 0 HA TRP A 27 0.989 0.225 3.721 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -1.928 -0.462 4.257 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.948 -1.305 3.074 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.428 -0.697 5.724 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.639 -2.683 7.364 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -2.833 -3.192 4.420 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 0.149 -5.001 7.982 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -3.377 -5.297 5.574 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -1.912 -6.183 7.342 1.00 0.71 H new ATOM 452 N LEU A 28 0.250 1.053 1.478 1.00 0.32 N ATOM 453 CA LEU A 28 -0.092 1.664 0.200 1.00 0.33 C ATOM 454 C LEU A 28 -0.106 0.611 -0.896 1.00 0.32 C ATOM 455 O LEU A 28 0.719 -0.305 -0.896 1.00 0.32 O ATOM 456 CB LEU A 28 0.890 2.779 -0.163 1.00 0.36 C ATOM 457 CG LEU A 28 0.590 4.143 0.462 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.356 4.307 1.758 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.938 5.262 -0.503 1.00 0.99 C ATOM 0 H LEU A 28 1.109 0.503 1.467 1.00 0.32 H new ATOM 0 HA LEU A 28 -1.085 2.103 0.293 1.00 0.33 H new ATOM 0 HB2 LEU A 28 1.891 2.472 0.139 1.00 0.36 H new ATOM 0 HB3 LEU A 28 0.904 2.890 -1.247 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.477 4.196 0.678 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.133 5.282 2.192 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.062 3.523 2.456 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.425 4.234 1.560 1.00 0.85 H new ATOM 0 HD21 LEU A 28 0.717 6.224 -0.040 1.00 0.99 H new ATOM 0 HD22 LEU A 28 1.999 5.213 -0.750 1.00 0.99 H new ATOM 0 HD23 LEU A 28 0.348 5.154 -1.413 1.00 0.99 H new ATOM 471 N ILE A 29 -1.046 0.737 -1.819 1.00 0.35 N ATOM 472 CA ILE A 29 -1.163 -0.205 -2.916 1.00 0.36 C ATOM 473 C ILE A 29 -0.468 0.331 -4.163 1.00 0.36 C ATOM 474 O ILE A 29 -0.911 1.311 -4.765 1.00 0.39 O ATOM 475 CB ILE A 29 -2.639 -0.515 -3.247 1.00 0.42 C ATOM 476 CG1 ILE A 29 -3.381 -0.988 -1.995 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.726 -1.562 -4.346 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.887 -0.900 -2.119 1.00 0.80 C ATOM 0 H ILE A 29 -1.740 1.485 -1.829 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.679 -1.128 -2.598 1.00 0.36 H new ATOM 0 HB ILE A 29 -3.114 0.400 -3.602 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -3.101 -2.020 -1.784 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -3.059 -0.390 -1.143 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.773 -1.770 -4.568 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -2.232 -1.190 -5.243 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -2.236 -2.478 -4.015 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -5.349 -1.251 -1.196 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -5.177 0.135 -2.300 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -5.220 -1.521 -2.951 1.00 0.80 H new ATOM 490 N LEU A 30 0.633 -0.308 -4.532 1.00 0.34 N ATOM 491 CA LEU A 30 1.391 0.083 -5.712 1.00 0.37 C ATOM 492 C LEU A 30 1.484 -1.098 -6.669 1.00 0.38 C ATOM 493 O LEU A 30 2.082 -2.116 -6.336 1.00 0.38 O ATOM 494 CB LEU A 30 2.797 0.549 -5.326 1.00 0.38 C ATOM 495 CG LEU A 30 2.855 1.680 -4.300 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.286 1.910 -3.854 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.266 2.960 -4.873 1.00 0.48 C ATOM 0 H LEU A 30 1.023 -1.104 -4.028 1.00 0.34 H new ATOM 0 HA LEU A 30 0.877 0.912 -6.199 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.349 -0.305 -4.932 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.314 0.874 -6.229 1.00 0.38 H new ATOM 0 HG LEU A 30 2.260 1.389 -3.434 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.314 2.718 -3.123 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.677 0.998 -3.402 1.00 0.44 H new ATOM 0 HD13 LEU A 30 4.897 2.179 -4.716 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.318 3.751 -4.125 1.00 0.48 H new ATOM 0 HD22 LEU A 30 2.832 3.258 -5.756 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.225 2.790 -5.149 1.00 0.48 H new ATOM 509 N HIS A 31 0.864 -0.966 -7.840 1.00 0.41 N ATOM 510 CA HIS A 31 0.862 -2.028 -8.853 1.00 0.43 C ATOM 511 C HIS A 31 0.124 -3.258 -8.326 1.00 0.42 C ATOM 512 O HIS A 31 0.478 -4.393 -8.644 1.00 0.45 O ATOM 513 CB HIS A 31 2.293 -2.403 -9.276 1.00 0.47 C ATOM 514 CG HIS A 31 2.813 -1.601 -10.433 1.00 0.66 C ATOM 515 ND1 HIS A 31 3.025 -2.133 -11.686 1.00 1.11 N ATOM 516 CD2 HIS A 31 3.151 -0.294 -10.523 1.00 1.10 C ATOM 517 CE1 HIS A 31 3.464 -1.188 -12.495 1.00 1.22 C ATOM 518 NE2 HIS A 31 3.549 -0.057 -11.817 1.00 1.18 N ATOM 0 H HIS A 31 0.352 -0.128 -8.115 1.00 0.41 H new ATOM 0 HA HIS A 31 0.342 -1.651 -9.734 1.00 0.43 H new ATOM 0 HB2 HIS A 31 2.960 -2.269 -8.424 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.319 -3.461 -9.538 1.00 0.47 H new ATOM 0 HD2 HIS A 31 3.115 0.431 -9.723 1.00 1.10 H new ATOM 0 HE1 HIS A 31 3.713 -1.317 -13.538 1.00 1.22 H new ATOM 0 HE2 HIS A 31 3.858 0.840 -12.191 1.00 1.18 H new ATOM 527 N HIS A 32 -0.909 -2.998 -7.514 1.00 0.42 N ATOM 528 CA HIS A 32 -1.744 -4.042 -6.905 1.00 0.44 C ATOM 529 C HIS A 32 -0.985 -4.782 -5.807 1.00 0.40 C ATOM 530 O HIS A 32 -1.397 -5.855 -5.364 1.00 0.44 O ATOM 531 CB HIS A 32 -2.266 -5.034 -7.954 1.00 0.52 C ATOM 532 CG HIS A 32 -3.147 -4.405 -8.996 1.00 0.68 C ATOM 533 ND1 HIS A 32 -3.128 -4.775 -10.324 1.00 1.01 N ATOM 534 CD2 HIS A 32 -4.075 -3.422 -8.896 1.00 0.85 C ATOM 535 CE1 HIS A 32 -4.004 -4.047 -10.994 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.591 -3.220 -10.151 1.00 0.97 N ATOM 0 H HIS A 32 -1.191 -2.051 -7.259 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.604 -3.544 -6.457 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.417 -5.508 -8.447 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.823 -5.823 -7.449 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.356 -2.896 -7.996 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -4.205 -4.117 -12.053 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.312 -2.540 -10.393 1.00 0.97 H new ATOM 545 N LYS A 33 0.123 -4.194 -5.371 1.00 0.37 N ATOM 546 CA LYS A 33 0.941 -4.767 -4.314 1.00 0.37 C ATOM 547 C LYS A 33 0.780 -3.939 -3.047 1.00 0.33 C ATOM 548 O LYS A 33 0.650 -2.717 -3.119 1.00 0.36 O ATOM 549 CB LYS A 33 2.415 -4.784 -4.729 1.00 0.40 C ATOM 550 CG LYS A 33 2.691 -5.545 -6.013 1.00 0.57 C ATOM 551 CD LYS A 33 2.825 -7.033 -5.756 1.00 0.79 C ATOM 552 CE LYS A 33 3.437 -7.756 -6.944 1.00 0.94 C ATOM 553 NZ LYS A 33 3.921 -9.107 -6.568 1.00 1.02 N ATOM 0 H LYS A 33 0.477 -3.311 -5.739 1.00 0.37 H new ATOM 0 HA LYS A 33 0.616 -5.791 -4.131 1.00 0.37 H new ATOM 0 HB2 LYS A 33 2.759 -3.757 -4.848 1.00 0.40 H new ATOM 0 HB3 LYS A 33 3.002 -5.226 -3.924 1.00 0.40 H new ATOM 0 HG2 LYS A 33 1.883 -5.368 -6.723 1.00 0.57 H new ATOM 0 HG3 LYS A 33 3.606 -5.169 -6.471 1.00 0.57 H new ATOM 0 HD2 LYS A 33 3.443 -7.196 -4.873 1.00 0.79 H new ATOM 0 HD3 LYS A 33 1.843 -7.455 -5.540 1.00 0.79 H new ATOM 0 HE2 LYS A 33 2.697 -7.842 -7.740 1.00 0.94 H new ATOM 0 HE3 LYS A 33 4.265 -7.169 -7.341 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 3.934 -9.718 -7.410 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 4.882 -9.035 -6.178 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 3.287 -9.516 -5.853 1.00 1.02 H new ATOM 567 N VAL A 34 0.786 -4.593 -1.898 1.00 0.30 N ATOM 568 CA VAL A 34 0.640 -3.895 -0.629 1.00 0.30 C ATOM 569 C VAL A 34 2.005 -3.674 0.009 1.00 0.27 C ATOM 570 O VAL A 34 2.709 -4.631 0.345 1.00 0.28 O ATOM 571 CB VAL A 34 -0.266 -4.672 0.353 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.642 -3.800 1.541 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.516 -5.185 -0.349 1.00 0.35 C ATOM 0 H VAL A 34 0.890 -5.604 -1.816 1.00 0.30 H new ATOM 0 HA VAL A 34 0.169 -2.935 -0.838 1.00 0.30 H new ATOM 0 HB VAL A 34 0.295 -5.532 0.720 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.280 -4.366 2.220 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.262 -3.490 2.066 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -1.178 -2.918 1.190 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.137 -5.728 0.364 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -2.079 -4.343 -0.752 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.229 -5.852 -1.162 1.00 0.35 H new ATOM 583 N TYR A 35 2.382 -2.412 0.162 1.00 0.28 N ATOM 584 CA TYR A 35 3.666 -2.068 0.753 1.00 0.28 C ATOM 585 C TYR A 35 3.488 -1.365 2.094 1.00 0.30 C ATOM 586 O TYR A 35 2.641 -0.480 2.234 1.00 0.32 O ATOM 587 CB TYR A 35 4.473 -1.180 -0.195 1.00 0.31 C ATOM 588 CG TYR A 35 5.004 -1.912 -1.408 1.00 0.31 C ATOM 589 CD1 TYR A 35 6.091 -2.769 -1.302 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.418 -1.748 -2.656 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.581 -3.444 -2.405 1.00 0.40 C ATOM 592 CE2 TYR A 35 4.900 -2.418 -3.764 1.00 0.47 C ATOM 593 CZ TYR A 35 5.981 -3.264 -3.635 1.00 0.41 C ATOM 594 OH TYR A 35 6.462 -3.933 -4.739 1.00 0.48 O ATOM 0 H TYR A 35 1.816 -1.610 -0.115 1.00 0.28 H new ATOM 0 HA TYR A 35 4.210 -2.997 0.922 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.845 -0.353 -0.527 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.310 -0.746 0.352 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.562 -2.911 -0.341 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.571 -1.086 -2.762 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.427 -4.107 -2.305 1.00 0.40 H new ATOM 0 HE2 TYR A 35 4.432 -2.280 -4.727 1.00 0.47 H new ATOM 0 HH TYR A 35 5.926 -3.695 -5.525 1.00 0.48 H new ATOM 604 N ASP A 36 4.289 -1.770 3.071 1.00 0.32 N ATOM 605 CA ASP A 36 4.253 -1.184 4.405 1.00 0.36 C ATOM 606 C ASP A 36 5.493 -0.336 4.626 1.00 0.38 C ATOM 607 O ASP A 36 6.602 -0.855 4.728 1.00 0.50 O ATOM 608 CB ASP A 36 4.184 -2.285 5.476 1.00 0.43 C ATOM 609 CG ASP A 36 4.053 -1.756 6.904 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.530 -0.634 7.202 1.00 0.90 O ATOM 611 OD2 ASP A 36 3.481 -2.487 7.748 1.00 1.28 O ATOM 0 H ASP A 36 4.980 -2.512 2.962 1.00 0.32 H new ATOM 0 HA ASP A 36 3.364 -0.559 4.487 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.335 -2.934 5.261 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.081 -2.900 5.408 1.00 0.43 H new ATOM 616 N LEU A 37 5.305 0.968 4.686 1.00 0.37 N ATOM 617 CA LEU A 37 6.409 1.880 4.912 1.00 0.43 C ATOM 618 C LEU A 37 6.036 2.851 6.026 1.00 0.37 C ATOM 619 O LEU A 37 6.454 4.009 6.042 1.00 0.40 O ATOM 620 CB LEU A 37 6.788 2.613 3.611 1.00 0.56 C ATOM 621 CG LEU A 37 5.988 3.878 3.280 1.00 0.66 C ATOM 622 CD1 LEU A 37 6.693 4.683 2.201 1.00 0.86 C ATOM 623 CD2 LEU A 37 4.575 3.527 2.844 1.00 0.80 C ATOM 0 H LEU A 37 4.397 1.420 4.581 1.00 0.37 H new ATOM 0 HA LEU A 37 7.290 1.319 5.224 1.00 0.43 H new ATOM 0 HB2 LEU A 37 7.843 2.881 3.666 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.679 1.914 2.782 1.00 0.56 H new ATOM 0 HG LEU A 37 5.923 4.486 4.182 1.00 0.66 H new ATOM 0 HD11 LEU A 37 6.113 5.578 1.977 1.00 0.86 H new ATOM 0 HD12 LEU A 37 7.684 4.971 2.551 1.00 0.86 H new ATOM 0 HD13 LEU A 37 6.789 4.078 1.300 1.00 0.86 H new ATOM 0 HD21 LEU A 37 4.027 4.441 2.615 1.00 0.80 H new ATOM 0 HD22 LEU A 37 4.614 2.895 1.957 1.00 0.80 H new ATOM 0 HD23 LEU A 37 4.068 2.993 3.648 1.00 0.80 H new ATOM 635 N THR A 38 5.282 2.340 6.992 1.00 0.34 N ATOM 636 CA THR A 38 4.818 3.132 8.121 1.00 0.36 C ATOM 637 C THR A 38 5.978 3.740 8.924 1.00 0.38 C ATOM 638 O THR A 38 5.773 4.652 9.724 1.00 0.44 O ATOM 639 CB THR A 38 3.910 2.280 9.039 1.00 0.41 C ATOM 640 OG1 THR A 38 2.889 3.105 9.610 1.00 0.48 O ATOM 641 CG2 THR A 38 4.697 1.601 10.151 1.00 0.48 C ATOM 0 H THR A 38 4.976 1.367 7.013 1.00 0.34 H new ATOM 0 HA THR A 38 4.239 3.963 7.717 1.00 0.36 H new ATOM 0 HB THR A 38 3.462 1.499 8.424 1.00 0.41 H new ATOM 0 HG1 THR A 38 3.240 3.555 10.407 1.00 0.48 H new ATOM 0 HG21 THR A 38 4.019 1.014 10.770 1.00 0.48 H new ATOM 0 HG22 THR A 38 5.450 0.945 9.715 1.00 0.48 H new ATOM 0 HG23 THR A 38 5.186 2.357 10.765 1.00 0.48 H new ATOM 649 N LYS A 39 7.189 3.237 8.708 1.00 0.39 N ATOM 650 CA LYS A 39 8.359 3.753 9.408 1.00 0.47 C ATOM 651 C LYS A 39 9.304 4.469 8.444 1.00 0.47 C ATOM 652 O LYS A 39 10.377 4.925 8.833 1.00 0.59 O ATOM 653 CB LYS A 39 9.090 2.623 10.138 1.00 0.56 C ATOM 654 CG LYS A 39 8.461 2.262 11.476 1.00 0.75 C ATOM 655 CD LYS A 39 8.200 3.507 12.312 1.00 0.92 C ATOM 656 CE LYS A 39 7.848 3.171 13.750 1.00 1.27 C ATOM 657 NZ LYS A 39 7.714 4.401 14.577 1.00 1.50 N ATOM 0 H LYS A 39 7.385 2.476 8.057 1.00 0.39 H new ATOM 0 HA LYS A 39 8.018 4.479 10.146 1.00 0.47 H new ATOM 0 HB2 LYS A 39 9.104 1.739 9.501 1.00 0.56 H new ATOM 0 HB3 LYS A 39 10.127 2.916 10.300 1.00 0.56 H new ATOM 0 HG2 LYS A 39 7.525 1.729 11.309 1.00 0.75 H new ATOM 0 HG3 LYS A 39 9.120 1.586 12.021 1.00 0.75 H new ATOM 0 HD2 LYS A 39 9.084 4.145 12.296 1.00 0.92 H new ATOM 0 HD3 LYS A 39 7.386 4.078 11.865 1.00 0.92 H new ATOM 0 HE2 LYS A 39 6.914 2.610 13.776 1.00 1.27 H new ATOM 0 HE3 LYS A 39 8.619 2.528 14.174 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 7.473 4.138 15.554 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 8.613 4.923 14.571 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 6.962 5.003 14.185 1.00 1.50 H new ATOM 671 N PHE A 40 8.887 4.584 7.191 1.00 0.40 N ATOM 672 CA PHE A 40 9.689 5.246 6.169 1.00 0.44 C ATOM 673 C PHE A 40 9.025 6.556 5.758 1.00 0.40 C ATOM 674 O PHE A 40 9.503 7.261 4.875 1.00 0.42 O ATOM 675 CB PHE A 40 9.852 4.325 4.953 1.00 0.52 C ATOM 676 CG PHE A 40 11.003 4.680 4.055 1.00 1.16 C ATOM 677 CD1 PHE A 40 12.308 4.433 4.447 1.00 1.66 C ATOM 678 CD2 PHE A 40 10.780 5.255 2.814 1.00 1.77 C ATOM 679 CE1 PHE A 40 13.368 4.753 3.620 1.00 2.39 C ATOM 680 CE2 PHE A 40 11.835 5.578 1.984 1.00 2.45 C ATOM 681 CZ PHE A 40 13.132 5.327 2.386 1.00 2.68 C ATOM 0 H PHE A 40 7.993 4.226 6.855 1.00 0.40 H new ATOM 0 HA PHE A 40 10.677 5.466 6.575 1.00 0.44 H new ATOM 0 HB2 PHE A 40 9.983 3.301 5.303 1.00 0.52 H new ATOM 0 HB3 PHE A 40 8.932 4.347 4.370 1.00 0.52 H new ATOM 0 HD1 PHE A 40 12.500 3.985 5.411 1.00 1.66 H new ATOM 0 HD2 PHE A 40 9.768 5.453 2.492 1.00 1.77 H new ATOM 0 HE1 PHE A 40 14.381 4.554 3.938 1.00 2.39 H new ATOM 0 HE2 PHE A 40 11.646 6.027 1.020 1.00 2.45 H new ATOM 0 HZ PHE A 40 13.959 5.579 1.738 1.00 2.68 H new ATOM 691 N LEU A 41 7.923 6.877 6.427 1.00 0.39 N ATOM 692 CA LEU A 41 7.165 8.093 6.143 1.00 0.43 C ATOM 693 C LEU A 41 8.034 9.343 6.279 1.00 0.44 C ATOM 694 O LEU A 41 8.062 10.193 5.393 1.00 0.47 O ATOM 695 CB LEU A 41 5.961 8.200 7.085 1.00 0.49 C ATOM 696 CG LEU A 41 5.029 6.986 7.100 1.00 0.48 C ATOM 697 CD1 LEU A 41 3.948 7.158 8.155 1.00 0.55 C ATOM 698 CD2 LEU A 41 4.398 6.767 5.732 1.00 0.59 C ATOM 0 H LEU A 41 7.531 6.307 7.177 1.00 0.39 H new ATOM 0 HA LEU A 41 6.818 8.030 5.112 1.00 0.43 H new ATOM 0 HB2 LEU A 41 6.327 8.368 8.098 1.00 0.49 H new ATOM 0 HB3 LEU A 41 5.380 9.079 6.806 1.00 0.49 H new ATOM 0 HG LEU A 41 5.625 6.107 7.347 1.00 0.48 H new ATOM 0 HD11 LEU A 41 3.294 6.286 8.152 1.00 0.55 H new ATOM 0 HD12 LEU A 41 4.411 7.261 9.137 1.00 0.55 H new ATOM 0 HD13 LEU A 41 3.363 8.051 7.934 1.00 0.55 H new ATOM 0 HD21 LEU A 41 3.740 5.899 5.769 1.00 0.59 H new ATOM 0 HD22 LEU A 41 3.820 7.648 5.453 1.00 0.59 H new ATOM 0 HD23 LEU A 41 5.181 6.597 4.993 1.00 0.59 H new ATOM 710 N GLU A 42 8.747 9.439 7.389 1.00 0.49 N ATOM 711 CA GLU A 42 9.612 10.585 7.653 1.00 0.56 C ATOM 712 C GLU A 42 10.900 10.522 6.836 1.00 0.54 C ATOM 713 O GLU A 42 11.569 11.537 6.628 1.00 0.66 O ATOM 714 CB GLU A 42 9.938 10.652 9.141 1.00 0.67 C ATOM 715 CG GLU A 42 10.392 9.323 9.728 1.00 0.72 C ATOM 716 CD GLU A 42 9.843 9.096 11.117 1.00 0.93 C ATOM 717 OE1 GLU A 42 10.371 9.700 12.076 1.00 1.50 O ATOM 718 OE2 GLU A 42 8.876 8.319 11.255 1.00 1.40 O ATOM 0 H GLU A 42 8.746 8.735 8.127 1.00 0.49 H new ATOM 0 HA GLU A 42 9.076 11.486 7.354 1.00 0.56 H new ATOM 0 HB2 GLU A 42 10.719 11.395 9.300 1.00 0.67 H new ATOM 0 HB3 GLU A 42 9.056 10.996 9.682 1.00 0.67 H new ATOM 0 HG2 GLU A 42 10.072 8.511 9.075 1.00 0.72 H new ATOM 0 HG3 GLU A 42 11.481 9.295 9.760 1.00 0.72 H new ATOM 725 N GLU A 43 11.235 9.328 6.364 1.00 0.48 N ATOM 726 CA GLU A 43 12.445 9.124 5.572 1.00 0.50 C ATOM 727 C GLU A 43 12.147 9.291 4.087 1.00 0.43 C ATOM 728 O GLU A 43 13.018 9.105 3.240 1.00 0.54 O ATOM 729 CB GLU A 43 13.031 7.735 5.833 1.00 0.58 C ATOM 730 CG GLU A 43 13.247 7.425 7.305 1.00 0.76 C ATOM 731 CD GLU A 43 14.312 6.376 7.530 1.00 0.96 C ATOM 732 OE1 GLU A 43 13.985 5.171 7.510 1.00 1.56 O ATOM 733 OE2 GLU A 43 15.488 6.751 7.741 1.00 1.46 O ATOM 0 H GLU A 43 10.685 8.483 6.516 1.00 0.48 H new ATOM 0 HA GLU A 43 13.176 9.875 5.870 1.00 0.50 H new ATOM 0 HB2 GLU A 43 12.365 6.984 5.408 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.983 7.649 5.310 1.00 0.58 H new ATOM 0 HG2 GLU A 43 13.528 8.340 7.827 1.00 0.76 H new ATOM 0 HG3 GLU A 43 12.308 7.084 7.742 1.00 0.76 H new ATOM 740 N HIS A 44 10.905 9.630 3.785 1.00 0.43 N ATOM 741 CA HIS A 44 10.473 9.828 2.413 1.00 0.39 C ATOM 742 C HIS A 44 10.713 11.278 1.995 1.00 0.43 C ATOM 743 O HIS A 44 10.089 12.198 2.533 1.00 0.51 O ATOM 744 CB HIS A 44 8.991 9.464 2.286 1.00 0.41 C ATOM 745 CG HIS A 44 8.493 9.384 0.878 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.597 10.279 0.332 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.764 8.483 -0.100 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.347 9.896 -0.927 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.033 8.812 -1.238 1.00 0.41 N ATOM 0 H HIS A 44 10.172 9.775 4.480 1.00 0.43 H new ATOM 0 HA HIS A 44 11.050 9.182 1.751 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.822 8.504 2.773 1.00 0.41 H new ATOM 0 HB3 HIS A 44 8.400 10.204 2.826 1.00 0.41 H new ATOM 0 HD1 HIS A 44 7.196 11.089 0.804 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.439 7.645 -0.010 1.00 0.41 H new ATOM 0 HE1 HIS A 44 6.673 10.407 -1.599 1.00 0.40 H new ATOM 757 N PRO A 45 11.636 11.507 1.050 1.00 0.44 N ATOM 758 CA PRO A 45 11.948 12.853 0.567 1.00 0.53 C ATOM 759 C PRO A 45 10.789 13.453 -0.222 1.00 0.62 C ATOM 760 O PRO A 45 10.537 13.080 -1.371 1.00 1.11 O ATOM 761 CB PRO A 45 13.171 12.646 -0.331 1.00 0.58 C ATOM 762 CG PRO A 45 13.107 11.223 -0.751 1.00 0.56 C ATOM 763 CD PRO A 45 12.451 10.477 0.376 1.00 0.44 C ATOM 0 HA PRO A 45 12.132 13.551 1.384 1.00 0.53 H new ATOM 0 HB2 PRO A 45 13.145 13.313 -1.193 1.00 0.58 H new ATOM 0 HB3 PRO A 45 14.095 12.857 0.207 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.535 11.116 -1.673 1.00 0.56 H new ATOM 0 HG3 PRO A 45 14.105 10.831 -0.947 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.835 9.656 0.008 1.00 0.44 H new ATOM 0 HD3 PRO A 45 13.188 10.044 1.052 1.00 0.44 H new ATOM 771 N GLY A 46 10.088 14.380 0.404 1.00 0.75 N ATOM 772 CA GLY A 46 8.950 15.013 -0.232 1.00 0.82 C ATOM 773 C GLY A 46 7.796 15.186 0.731 1.00 0.83 C ATOM 774 O GLY A 46 6.808 15.851 0.417 1.00 1.38 O ATOM 0 H GLY A 46 10.286 14.710 1.349 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.247 15.986 -0.623 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.628 14.412 -1.082 1.00 0.82 H new ATOM 778 N GLY A 47 7.921 14.576 1.902 1.00 0.66 N ATOM 779 CA GLY A 47 6.884 14.672 2.909 1.00 0.67 C ATOM 780 C GLY A 47 6.084 13.391 3.025 1.00 0.60 C ATOM 781 O GLY A 47 5.988 12.625 2.063 1.00 0.64 O ATOM 0 H GLY A 47 8.727 14.013 2.173 1.00 0.66 H new ATOM 0 HA2 GLY A 47 7.336 14.906 3.873 1.00 0.67 H new ATOM 0 HA3 GLY A 47 6.215 15.496 2.662 1.00 0.67 H new ATOM 785 N GLU A 48 5.511 13.156 4.198 1.00 0.61 N ATOM 786 CA GLU A 48 4.715 11.959 4.440 1.00 0.63 C ATOM 787 C GLU A 48 3.245 12.207 4.112 1.00 0.63 C ATOM 788 O GLU A 48 2.444 11.273 4.077 1.00 0.65 O ATOM 789 CB GLU A 48 4.852 11.497 5.896 1.00 0.76 C ATOM 790 CG GLU A 48 4.268 12.466 6.917 1.00 0.95 C ATOM 791 CD GLU A 48 5.260 13.516 7.369 1.00 1.21 C ATOM 792 OE1 GLU A 48 5.589 14.413 6.565 1.00 1.86 O ATOM 793 OE2 GLU A 48 5.716 13.451 8.533 1.00 1.79 O ATOM 0 H GLU A 48 5.583 13.781 5.001 1.00 0.61 H new ATOM 0 HA GLU A 48 5.092 11.173 3.785 1.00 0.63 H new ATOM 0 HB2 GLU A 48 4.360 10.531 6.006 1.00 0.76 H new ATOM 0 HB3 GLU A 48 5.908 11.345 6.119 1.00 0.76 H new ATOM 0 HG2 GLU A 48 3.397 12.959 6.485 1.00 0.95 H new ATOM 0 HG3 GLU A 48 3.920 11.905 7.784 1.00 0.95 H new ATOM 800 N GLU A 49 2.904 13.469 3.868 1.00 0.66 N ATOM 801 CA GLU A 49 1.534 13.857 3.547 1.00 0.74 C ATOM 802 C GLU A 49 1.006 13.075 2.347 1.00 0.68 C ATOM 803 O GLU A 49 -0.104 12.546 2.381 1.00 0.72 O ATOM 804 CB GLU A 49 1.464 15.356 3.260 1.00 0.86 C ATOM 805 CG GLU A 49 0.049 15.913 3.274 1.00 1.10 C ATOM 806 CD GLU A 49 -0.483 16.133 4.677 1.00 1.32 C ATOM 807 OE1 GLU A 49 -0.288 15.256 5.541 1.00 1.69 O ATOM 808 OE2 GLU A 49 -1.111 17.187 4.918 1.00 1.81 O ATOM 0 H GLU A 49 3.564 14.246 3.887 1.00 0.66 H new ATOM 0 HA GLU A 49 0.909 13.625 4.409 1.00 0.74 H new ATOM 0 HB2 GLU A 49 2.062 15.887 4.000 1.00 0.86 H new ATOM 0 HB3 GLU A 49 1.913 15.552 2.287 1.00 0.86 H new ATOM 0 HG2 GLU A 49 0.030 16.858 2.731 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -0.612 15.227 2.743 1.00 1.10 H new ATOM 815 N VAL A 50 1.828 12.977 1.308 1.00 0.63 N ATOM 816 CA VAL A 50 1.451 12.270 0.086 1.00 0.60 C ATOM 817 C VAL A 50 1.250 10.773 0.333 1.00 0.54 C ATOM 818 O VAL A 50 0.577 10.091 -0.437 1.00 0.54 O ATOM 819 CB VAL A 50 2.506 12.460 -1.028 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.570 13.915 -1.466 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.877 11.975 -0.571 1.00 0.62 C ATOM 0 H VAL A 50 2.765 13.380 1.286 1.00 0.63 H new ATOM 0 HA VAL A 50 0.505 12.704 -0.238 1.00 0.60 H new ATOM 0 HB VAL A 50 2.203 11.857 -1.884 1.00 0.64 H new ATOM 0 HG11 VAL A 50 3.319 14.026 -2.250 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.596 14.223 -1.847 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.841 14.540 -0.615 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.600 12.120 -1.373 1.00 0.62 H new ATOM 0 HG22 VAL A 50 4.190 12.542 0.306 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.823 10.916 -0.319 1.00 0.62 H new ATOM 831 N LEU A 51 1.819 10.269 1.419 1.00 0.52 N ATOM 832 CA LEU A 51 1.707 8.857 1.750 1.00 0.50 C ATOM 833 C LEU A 51 0.487 8.602 2.628 1.00 0.53 C ATOM 834 O LEU A 51 -0.265 7.654 2.408 1.00 0.55 O ATOM 835 CB LEU A 51 2.975 8.384 2.465 1.00 0.48 C ATOM 836 CG LEU A 51 4.280 8.611 1.698 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.477 8.414 2.618 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.357 7.677 0.499 1.00 0.47 C ATOM 0 H LEU A 51 2.363 10.817 2.085 1.00 0.52 H new ATOM 0 HA LEU A 51 1.587 8.295 0.824 1.00 0.50 H new ATOM 0 HB2 LEU A 51 3.043 8.895 3.425 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.877 7.319 2.677 1.00 0.48 H new ATOM 0 HG LEU A 51 4.298 9.638 1.332 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.397 8.579 2.058 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.422 9.124 3.443 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.469 7.398 3.012 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.290 7.849 -0.037 1.00 0.47 H new ATOM 0 HD22 LEU A 51 4.321 6.643 0.841 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.515 7.869 -0.166 1.00 0.47 H new ATOM 850 N ARG A 52 0.279 9.473 3.610 1.00 0.59 N ATOM 851 CA ARG A 52 -0.841 9.328 4.534 1.00 0.66 C ATOM 852 C ARG A 52 -2.182 9.603 3.853 1.00 0.65 C ATOM 853 O ARG A 52 -3.219 9.121 4.307 1.00 0.69 O ATOM 854 CB ARG A 52 -0.659 10.239 5.757 1.00 0.79 C ATOM 855 CG ARG A 52 -0.475 11.712 5.424 1.00 0.97 C ATOM 856 CD ARG A 52 -1.779 12.489 5.525 1.00 1.22 C ATOM 857 NE ARG A 52 -2.404 12.339 6.838 1.00 1.50 N ATOM 858 CZ ARG A 52 -2.290 13.224 7.828 1.00 1.90 C ATOM 859 NH1 ARG A 52 -1.577 14.335 7.668 1.00 2.00 N ATOM 860 NH2 ARG A 52 -2.896 12.995 8.985 1.00 2.61 N ATOM 0 H ARG A 52 0.870 10.285 3.787 1.00 0.59 H new ATOM 0 HA ARG A 52 -0.852 8.291 4.870 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -1.528 10.132 6.407 1.00 0.79 H new ATOM 0 HB3 ARG A 52 0.207 9.897 6.324 1.00 0.79 H new ATOM 0 HG2 ARG A 52 0.259 12.147 6.102 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -0.074 11.808 4.415 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -1.588 13.545 5.333 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -2.468 12.144 4.754 1.00 1.22 H new ATOM 0 HE ARG A 52 -2.963 11.503 7.007 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -1.110 14.518 6.780 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -1.497 15.005 8.433 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -3.446 12.145 9.113 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -2.813 13.668 9.747 1.00 2.61 H new ATOM 874 N GLU A 53 -2.163 10.366 2.765 1.00 0.64 N ATOM 875 CA GLU A 53 -3.390 10.688 2.042 1.00 0.68 C ATOM 876 C GLU A 53 -3.782 9.546 1.107 1.00 0.65 C ATOM 877 O GLU A 53 -4.873 9.537 0.540 1.00 0.78 O ATOM 878 CB GLU A 53 -3.226 11.985 1.248 1.00 0.72 C ATOM 879 CG GLU A 53 -2.184 11.908 0.144 1.00 0.67 C ATOM 880 CD GLU A 53 -2.147 13.159 -0.707 1.00 0.81 C ATOM 881 OE1 GLU A 53 -1.536 14.161 -0.280 1.00 1.26 O ATOM 882 OE2 GLU A 53 -2.740 13.150 -1.807 1.00 1.35 O ATOM 0 H GLU A 53 -1.317 10.771 2.365 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.185 10.827 2.774 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.187 12.253 0.808 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -2.954 12.787 1.934 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.202 11.745 0.587 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.395 11.047 -0.490 1.00 0.67 H new ATOM 889 N GLN A 54 -2.877 8.591 0.942 1.00 0.57 N ATOM 890 CA GLN A 54 -3.127 7.439 0.088 1.00 0.58 C ATOM 891 C GLN A 54 -3.018 6.150 0.887 1.00 0.57 C ATOM 892 O GLN A 54 -2.950 5.058 0.324 1.00 0.60 O ATOM 893 CB GLN A 54 -2.153 7.415 -1.090 1.00 0.57 C ATOM 894 CG GLN A 54 -2.533 8.367 -2.210 1.00 0.64 C ATOM 895 CD GLN A 54 -3.900 8.061 -2.794 1.00 0.81 C ATOM 896 OE1 GLN A 54 -4.030 7.260 -3.717 1.00 1.13 O ATOM 897 NE2 GLN A 54 -4.930 8.706 -2.270 1.00 0.96 N ATOM 0 H GLN A 54 -1.961 8.592 1.390 1.00 0.57 H new ATOM 0 HA GLN A 54 -4.140 7.522 -0.305 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -1.155 7.668 -0.731 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -2.101 6.401 -1.487 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -2.523 9.389 -1.832 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -1.783 8.312 -2.999 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -4.784 9.364 -1.504 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -5.870 8.545 -2.632 1.00 0.96 H new ATOM 906 N ALA A 55 -2.993 6.292 2.204 1.00 0.58 N ATOM 907 CA ALA A 55 -2.901 5.148 3.095 1.00 0.60 C ATOM 908 C ALA A 55 -4.153 4.288 2.982 1.00 0.61 C ATOM 909 O ALA A 55 -5.260 4.737 3.287 1.00 0.68 O ATOM 910 CB ALA A 55 -2.689 5.606 4.531 1.00 0.65 C ATOM 0 H ALA A 55 -3.035 7.193 2.680 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.042 4.545 2.800 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.622 4.736 5.184 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -1.765 6.181 4.597 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.527 6.230 4.842 1.00 0.65 H new ATOM 916 N GLY A 56 -3.968 3.053 2.541 1.00 0.59 N ATOM 917 CA GLY A 56 -5.084 2.145 2.371 1.00 0.64 C ATOM 918 C GLY A 56 -5.661 2.228 0.975 1.00 0.62 C ATOM 919 O GLY A 56 -6.634 1.545 0.653 1.00 0.66 O ATOM 0 H GLY A 56 -3.059 2.661 2.296 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -4.757 1.124 2.570 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -5.859 2.380 3.100 1.00 0.64 H new ATOM 923 N GLY A 57 -5.049 3.063 0.142 1.00 0.63 N ATOM 924 CA GLY A 57 -5.512 3.233 -1.218 1.00 0.65 C ATOM 925 C GLY A 57 -4.443 2.901 -2.235 1.00 0.59 C ATOM 926 O GLY A 57 -3.310 2.561 -1.877 1.00 0.55 O ATOM 0 H GLY A 57 -4.236 3.627 0.389 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.380 2.596 -1.386 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.840 4.263 -1.362 1.00 0.65 H new ATOM 930 N ASP A 58 -4.799 3.001 -3.504 1.00 0.65 N ATOM 931 CA ASP A 58 -3.874 2.702 -4.585 1.00 0.62 C ATOM 932 C ASP A 58 -3.321 3.979 -5.205 1.00 0.61 C ATOM 933 O ASP A 58 -4.066 4.832 -5.687 1.00 0.71 O ATOM 934 CB ASP A 58 -4.555 1.830 -5.653 1.00 0.69 C ATOM 935 CG ASP A 58 -5.754 2.497 -6.313 1.00 0.99 C ATOM 936 OD1 ASP A 58 -6.656 2.979 -5.590 1.00 1.51 O ATOM 937 OD2 ASP A 58 -5.809 2.528 -7.561 1.00 1.32 O ATOM 0 H ASP A 58 -5.728 3.289 -3.813 1.00 0.65 H new ATOM 0 HA ASP A 58 -3.036 2.144 -4.166 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -3.825 1.574 -6.420 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.877 0.895 -5.195 1.00 0.69 H new ATOM 942 N ALA A 59 -2.002 4.102 -5.179 1.00 0.55 N ATOM 943 CA ALA A 59 -1.326 5.265 -5.737 1.00 0.57 C ATOM 944 C ALA A 59 -0.393 4.837 -6.859 1.00 0.54 C ATOM 945 O ALA A 59 0.599 5.505 -7.154 1.00 0.54 O ATOM 946 CB ALA A 59 -0.558 6.003 -4.650 1.00 0.60 C ATOM 0 H ALA A 59 -1.375 3.406 -4.775 1.00 0.55 H new ATOM 0 HA ALA A 59 -2.073 5.945 -6.148 1.00 0.57 H new ATOM 0 HB1 ALA A 59 -0.058 6.870 -5.082 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -1.250 6.332 -3.875 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.185 5.336 -4.213 1.00 0.60 H new ATOM 952 N THR A 60 -0.731 3.714 -7.480 1.00 0.56 N ATOM 953 CA THR A 60 0.050 3.153 -8.574 1.00 0.57 C ATOM 954 C THR A 60 0.350 4.190 -9.657 1.00 0.57 C ATOM 955 O THR A 60 1.505 4.380 -10.041 1.00 0.58 O ATOM 956 CB THR A 60 -0.698 1.965 -9.209 1.00 0.64 C ATOM 957 OG1 THR A 60 -1.016 0.989 -8.209 1.00 0.67 O ATOM 958 CG2 THR A 60 0.125 1.320 -10.310 1.00 0.71 C ATOM 0 H THR A 60 -1.556 3.166 -7.238 1.00 0.56 H new ATOM 0 HA THR A 60 0.997 2.818 -8.150 1.00 0.57 H new ATOM 0 HB THR A 60 -1.619 2.348 -9.649 1.00 0.64 H new ATOM 0 HG1 THR A 60 -1.493 0.240 -8.623 1.00 0.67 H new ATOM 0 HG21 THR A 60 -0.430 0.485 -10.738 1.00 0.71 H new ATOM 0 HG22 THR A 60 0.332 2.055 -11.088 1.00 0.71 H new ATOM 0 HG23 THR A 60 1.065 0.956 -9.896 1.00 0.71 H new ATOM 966 N GLU A 61 -0.693 4.870 -10.122 1.00 0.62 N ATOM 967 CA GLU A 61 -0.561 5.874 -11.172 1.00 0.67 C ATOM 968 C GLU A 61 0.408 6.992 -10.783 1.00 0.63 C ATOM 969 O GLU A 61 1.169 7.471 -11.618 1.00 0.74 O ATOM 970 CB GLU A 61 -1.935 6.456 -11.526 1.00 0.78 C ATOM 971 CG GLU A 61 -2.826 6.745 -10.325 1.00 0.83 C ATOM 972 CD GLU A 61 -4.293 6.520 -10.633 1.00 1.06 C ATOM 973 OE1 GLU A 61 -4.922 7.406 -11.253 1.00 1.64 O ATOM 974 OE2 GLU A 61 -4.824 5.448 -10.267 1.00 1.48 O ATOM 0 H GLU A 61 -1.647 4.742 -9.785 1.00 0.62 H new ATOM 0 HA GLU A 61 -0.145 5.377 -12.048 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.791 7.380 -12.086 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.451 5.760 -12.187 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.529 6.107 -9.493 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -2.678 7.776 -10.005 1.00 0.83 H new ATOM 981 N ASN A 62 0.397 7.386 -9.516 1.00 0.56 N ATOM 982 CA ASN A 62 1.275 8.460 -9.045 1.00 0.55 C ATOM 983 C ASN A 62 2.721 7.981 -8.967 1.00 0.50 C ATOM 984 O ASN A 62 3.653 8.730 -9.260 1.00 0.50 O ATOM 985 CB ASN A 62 0.823 8.967 -7.672 1.00 0.58 C ATOM 986 CG ASN A 62 1.289 10.386 -7.391 1.00 0.82 C ATOM 987 OD1 ASN A 62 2.410 10.611 -6.941 1.00 1.28 O ATOM 988 ND2 ASN A 62 0.426 11.355 -7.652 1.00 1.32 N ATOM 0 H ASN A 62 -0.204 6.984 -8.797 1.00 0.56 H new ATOM 0 HA ASN A 62 1.214 9.279 -9.761 1.00 0.55 H new ATOM 0 HB2 ASN A 62 -0.265 8.928 -7.614 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.208 8.302 -6.899 1.00 0.58 H new ATOM 0 HD21 ASN A 62 0.683 12.327 -7.480 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -0.496 11.130 -8.025 1.00 1.32 H new ATOM 995 N PHE A 63 2.894 6.720 -8.588 1.00 0.48 N ATOM 996 CA PHE A 63 4.217 6.113 -8.460 1.00 0.46 C ATOM 997 C PHE A 63 5.005 6.227 -9.768 1.00 0.49 C ATOM 998 O PHE A 63 6.167 6.646 -9.773 1.00 0.50 O ATOM 999 CB PHE A 63 4.069 4.641 -8.060 1.00 0.48 C ATOM 1000 CG PHE A 63 5.351 3.972 -7.638 1.00 0.51 C ATOM 1001 CD1 PHE A 63 5.815 4.094 -6.338 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.084 3.213 -8.538 1.00 0.70 C ATOM 1003 CE1 PHE A 63 6.986 3.473 -5.942 1.00 0.76 C ATOM 1004 CE2 PHE A 63 7.256 2.588 -8.147 1.00 0.77 C ATOM 1005 CZ PHE A 63 7.707 2.718 -6.847 1.00 0.73 C ATOM 0 H PHE A 63 2.125 6.090 -8.361 1.00 0.48 H new ATOM 0 HA PHE A 63 4.770 6.647 -7.687 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.352 4.571 -7.242 1.00 0.48 H new ATOM 0 HB3 PHE A 63 3.647 4.091 -8.901 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.255 4.681 -5.625 1.00 0.63 H new ATOM 0 HD2 PHE A 63 5.737 3.108 -9.555 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.336 3.578 -4.926 1.00 0.76 H new ATOM 0 HE2 PHE A 63 7.817 1.999 -8.857 1.00 0.77 H new ATOM 0 HZ PHE A 63 8.620 2.231 -6.539 1.00 0.73 H new ATOM 1015 N GLU A 64 4.358 5.867 -10.873 1.00 0.53 N ATOM 1016 CA GLU A 64 4.991 5.923 -12.187 1.00 0.58 C ATOM 1017 C GLU A 64 4.943 7.337 -12.758 1.00 0.57 C ATOM 1018 O GLU A 64 5.798 7.719 -13.556 1.00 0.65 O ATOM 1019 CB GLU A 64 4.354 4.912 -13.158 1.00 0.69 C ATOM 1020 CG GLU A 64 2.882 4.627 -12.897 1.00 1.08 C ATOM 1021 CD GLU A 64 2.447 3.273 -13.427 1.00 1.47 C ATOM 1022 OE1 GLU A 64 2.917 2.240 -12.902 1.00 1.88 O ATOM 1023 OE2 GLU A 64 1.619 3.229 -14.361 1.00 1.89 O ATOM 0 H GLU A 64 3.394 5.533 -10.884 1.00 0.53 H new ATOM 0 HA GLU A 64 6.038 5.647 -12.062 1.00 0.58 H new ATOM 0 HB2 GLU A 64 4.464 5.286 -14.176 1.00 0.69 H new ATOM 0 HB3 GLU A 64 4.908 3.975 -13.102 1.00 0.69 H new ATOM 0 HG2 GLU A 64 2.692 4.672 -11.825 1.00 1.08 H new ATOM 0 HG3 GLU A 64 2.277 5.406 -13.361 1.00 1.08 H new ATOM 1030 N ASP A 65 3.947 8.118 -12.340 1.00 0.54 N ATOM 1031 CA ASP A 65 3.810 9.501 -12.801 1.00 0.55 C ATOM 1032 C ASP A 65 5.044 10.298 -12.409 1.00 0.53 C ATOM 1033 O ASP A 65 5.600 11.052 -13.212 1.00 0.58 O ATOM 1034 CB ASP A 65 2.561 10.160 -12.208 1.00 0.57 C ATOM 1035 CG ASP A 65 2.281 11.527 -12.808 1.00 0.69 C ATOM 1036 OD1 ASP A 65 1.565 11.598 -13.833 1.00 0.88 O ATOM 1037 OD2 ASP A 65 2.760 12.541 -12.250 1.00 0.79 O ATOM 0 H ASP A 65 3.225 7.819 -11.685 1.00 0.54 H new ATOM 0 HA ASP A 65 3.709 9.490 -13.886 1.00 0.55 H new ATOM 0 HB2 ASP A 65 1.700 9.512 -12.372 1.00 0.57 H new ATOM 0 HB3 ASP A 65 2.684 10.259 -11.130 1.00 0.57 H new ATOM 1042 N VAL A 66 5.468 10.125 -11.163 1.00 0.50 N ATOM 1043 CA VAL A 66 6.651 10.804 -10.660 1.00 0.52 C ATOM 1044 C VAL A 66 7.899 10.188 -11.280 1.00 0.50 C ATOM 1045 O VAL A 66 8.791 10.895 -11.744 1.00 0.55 O ATOM 1046 CB VAL A 66 6.747 10.723 -9.120 1.00 0.56 C ATOM 1047 CG1 VAL A 66 8.005 11.420 -8.615 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.512 11.331 -8.472 1.00 0.60 C ATOM 0 H VAL A 66 5.008 9.519 -10.483 1.00 0.50 H new ATOM 0 HA VAL A 66 6.574 11.855 -10.937 1.00 0.52 H new ATOM 0 HB VAL A 66 6.803 9.670 -8.843 1.00 0.56 H new ATOM 0 HG11 VAL A 66 8.049 11.349 -7.528 1.00 0.67 H new ATOM 0 HG12 VAL A 66 8.884 10.941 -9.046 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.983 12.469 -8.909 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.600 11.264 -7.388 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.425 12.377 -8.765 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.625 10.788 -8.799 1.00 0.60 H new ATOM 1058 N GLY A 67 7.937 8.862 -11.309 1.00 0.50 N ATOM 1059 CA GLY A 67 9.078 8.170 -11.869 1.00 0.54 C ATOM 1060 C GLY A 67 10.123 7.886 -10.817 1.00 0.54 C ATOM 1061 O GLY A 67 11.046 8.675 -10.618 1.00 0.82 O ATOM 0 H GLY A 67 7.198 8.255 -10.955 1.00 0.50 H new ATOM 0 HA2 GLY A 67 8.751 7.234 -12.321 1.00 0.54 H new ATOM 0 HA3 GLY A 67 9.516 8.772 -12.665 1.00 0.54 H new ATOM 1065 N HIS A 68 9.970 6.760 -10.141 1.00 0.45 N ATOM 1066 CA HIS A 68 10.890 6.371 -9.084 1.00 0.42 C ATOM 1067 C HIS A 68 12.150 5.748 -9.666 1.00 0.47 C ATOM 1068 O HIS A 68 12.114 5.136 -10.735 1.00 0.58 O ATOM 1069 CB HIS A 68 10.208 5.395 -8.121 1.00 0.39 C ATOM 1070 CG HIS A 68 9.296 6.064 -7.136 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.152 6.754 -7.485 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.380 6.145 -5.783 1.00 0.41 C ATOM 1073 CE1 HIS A 68 7.596 7.224 -6.362 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.301 6.881 -5.303 1.00 0.40 N ATOM 0 H HIS A 68 9.214 6.096 -10.306 1.00 0.45 H new ATOM 0 HA HIS A 68 11.177 7.266 -8.532 1.00 0.42 H new ATOM 0 HB2 HIS A 68 9.636 4.668 -8.698 1.00 0.39 H new ATOM 0 HB3 HIS A 68 10.972 4.840 -7.577 1.00 0.39 H new ATOM 0 HD1 HIS A 68 7.794 6.883 -8.431 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.160 5.708 -5.177 1.00 0.41 H new ATOM 0 HE1 HIS A 68 6.688 7.808 -6.328 1.00 0.35 H new ATOM 1082 N SER A 69 13.258 5.909 -8.960 1.00 0.45 N ATOM 1083 CA SER A 69 14.536 5.374 -9.402 1.00 0.50 C ATOM 1084 C SER A 69 14.581 3.858 -9.242 1.00 0.50 C ATOM 1085 O SER A 69 13.780 3.274 -8.502 1.00 0.46 O ATOM 1086 CB SER A 69 15.668 6.020 -8.602 1.00 0.55 C ATOM 1087 OG SER A 69 15.345 6.070 -7.222 1.00 1.01 O ATOM 0 H SER A 69 13.297 6.410 -8.072 1.00 0.45 H new ATOM 0 HA SER A 69 14.660 5.605 -10.460 1.00 0.50 H new ATOM 0 HB2 SER A 69 16.589 5.454 -8.744 1.00 0.55 H new ATOM 0 HB3 SER A 69 15.853 7.028 -8.974 1.00 0.55 H new ATOM 0 HG SER A 69 14.926 6.932 -7.015 1.00 1.01 H new ATOM 1093 N THR A 70 15.519 3.224 -9.935 1.00 0.59 N ATOM 1094 CA THR A 70 15.674 1.778 -9.871 1.00 0.64 C ATOM 1095 C THR A 70 16.027 1.319 -8.455 1.00 0.61 C ATOM 1096 O THR A 70 15.532 0.298 -7.982 1.00 0.66 O ATOM 1097 CB THR A 70 16.750 1.296 -10.862 1.00 0.78 C ATOM 1098 OG1 THR A 70 16.671 2.075 -12.066 1.00 0.89 O ATOM 1099 CG2 THR A 70 16.564 -0.179 -11.197 1.00 1.08 C ATOM 0 H THR A 70 16.185 3.691 -10.550 1.00 0.59 H new ATOM 0 HA THR A 70 14.717 1.336 -10.148 1.00 0.64 H new ATOM 0 HB THR A 70 17.729 1.422 -10.399 1.00 0.78 H new ATOM 0 HG1 THR A 70 17.356 1.771 -12.698 1.00 0.89 H new ATOM 0 HG21 THR A 70 17.337 -0.493 -11.898 1.00 1.08 H new ATOM 0 HG22 THR A 70 16.639 -0.771 -10.285 1.00 1.08 H new ATOM 0 HG23 THR A 70 15.583 -0.329 -11.647 1.00 1.08 H new ATOM 1107 N ASP A 71 16.863 2.088 -7.773 1.00 0.60 N ATOM 1108 CA ASP A 71 17.265 1.751 -6.411 1.00 0.61 C ATOM 1109 C ASP A 71 16.075 1.819 -5.461 1.00 0.54 C ATOM 1110 O ASP A 71 15.951 1.004 -4.546 1.00 0.56 O ATOM 1111 CB ASP A 71 18.368 2.691 -5.925 1.00 0.70 C ATOM 1112 CG ASP A 71 19.754 2.152 -6.206 1.00 0.97 C ATOM 1113 OD1 ASP A 71 20.277 1.377 -5.377 1.00 1.29 O ATOM 1114 OD2 ASP A 71 20.331 2.498 -7.261 1.00 1.38 O ATOM 0 H ASP A 71 17.276 2.947 -8.137 1.00 0.60 H new ATOM 0 HA ASP A 71 17.648 0.731 -6.420 1.00 0.61 H new ATOM 0 HB2 ASP A 71 18.254 3.661 -6.409 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.256 2.854 -4.853 1.00 0.70 H new ATOM 1119 N ALA A 72 15.189 2.780 -5.702 1.00 0.48 N ATOM 1120 CA ALA A 72 14.010 2.967 -4.869 1.00 0.44 C ATOM 1121 C ALA A 72 13.054 1.783 -4.969 1.00 0.42 C ATOM 1122 O ALA A 72 12.617 1.245 -3.952 1.00 0.43 O ATOM 1123 CB ALA A 72 13.293 4.260 -5.241 1.00 0.47 C ATOM 0 H ALA A 72 15.268 3.444 -6.472 1.00 0.48 H new ATOM 0 HA ALA A 72 14.347 3.034 -3.835 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.414 4.384 -4.608 1.00 0.47 H new ATOM 0 HB2 ALA A 72 13.967 5.104 -5.095 1.00 0.47 H new ATOM 0 HB3 ALA A 72 12.985 4.218 -6.286 1.00 0.47 H new ATOM 1129 N ARG A 73 12.741 1.368 -6.193 1.00 0.44 N ATOM 1130 CA ARG A 73 11.824 0.249 -6.400 1.00 0.48 C ATOM 1131 C ARG A 73 12.391 -1.055 -5.844 1.00 0.49 C ATOM 1132 O ARG A 73 11.648 -1.884 -5.322 1.00 0.56 O ATOM 1133 CB ARG A 73 11.464 0.090 -7.885 1.00 0.54 C ATOM 1134 CG ARG A 73 12.650 0.178 -8.835 1.00 0.68 C ATOM 1135 CD ARG A 73 12.899 -1.138 -9.555 1.00 0.74 C ATOM 1136 NE ARG A 73 11.819 -1.460 -10.484 1.00 0.90 N ATOM 1137 CZ ARG A 73 11.312 -2.678 -10.646 1.00 1.08 C ATOM 1138 NH1 ARG A 73 11.808 -3.708 -9.974 1.00 1.08 N ATOM 1139 NH2 ARG A 73 10.313 -2.869 -11.501 1.00 1.36 N ATOM 0 H ARG A 73 13.104 1.785 -7.050 1.00 0.44 H new ATOM 0 HA ARG A 73 10.911 0.478 -5.850 1.00 0.48 H new ATOM 0 HB2 ARG A 73 10.973 -0.873 -8.026 1.00 0.54 H new ATOM 0 HB3 ARG A 73 10.741 0.859 -8.155 1.00 0.54 H new ATOM 0 HG2 ARG A 73 12.470 0.964 -9.568 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.542 0.461 -8.276 1.00 0.68 H new ATOM 0 HD2 ARG A 73 13.842 -1.082 -10.099 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.000 -1.939 -8.823 1.00 0.74 H new ATOM 0 HE ARG A 73 11.429 -0.702 -11.044 1.00 0.90 H new ATOM 0 HH11 ARG A 73 12.584 -3.569 -9.327 1.00 1.08 H new ATOM 0 HH12 ARG A 73 11.413 -4.639 -10.104 1.00 1.08 H new ATOM 0 HH21 ARG A 73 9.938 -2.082 -12.031 1.00 1.36 H new ATOM 0 HH22 ARG A 73 9.922 -3.802 -11.628 1.00 1.36 H new ATOM 1153 N GLU A 74 13.704 -1.226 -5.942 1.00 0.47 N ATOM 1154 CA GLU A 74 14.353 -2.430 -5.436 1.00 0.51 C ATOM 1155 C GLU A 74 14.349 -2.440 -3.909 1.00 0.49 C ATOM 1156 O GLU A 74 14.099 -3.471 -3.285 1.00 0.55 O ATOM 1157 CB GLU A 74 15.787 -2.534 -5.962 1.00 0.57 C ATOM 1158 CG GLU A 74 15.865 -2.741 -7.466 1.00 0.65 C ATOM 1159 CD GLU A 74 15.106 -3.968 -7.934 1.00 0.75 C ATOM 1160 OE1 GLU A 74 15.661 -5.083 -7.846 1.00 1.01 O ATOM 1161 OE2 GLU A 74 13.955 -3.826 -8.404 1.00 0.84 O ATOM 0 H GLU A 74 14.339 -0.549 -6.366 1.00 0.47 H new ATOM 0 HA GLU A 74 13.791 -3.293 -5.792 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.329 -1.626 -5.699 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.290 -3.362 -5.462 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.467 -1.860 -7.970 1.00 0.65 H new ATOM 0 HG3 GLU A 74 16.910 -2.832 -7.761 1.00 0.65 H new ATOM 1168 N LEU A 75 14.617 -1.283 -3.311 1.00 0.47 N ATOM 1169 CA LEU A 75 14.633 -1.147 -1.857 1.00 0.48 C ATOM 1170 C LEU A 75 13.243 -1.400 -1.275 1.00 0.43 C ATOM 1171 O LEU A 75 13.102 -1.940 -0.178 1.00 0.44 O ATOM 1172 CB LEU A 75 15.114 0.256 -1.465 1.00 0.53 C ATOM 1173 CG LEU A 75 15.120 0.556 0.034 1.00 0.56 C ATOM 1174 CD1 LEU A 75 16.210 -0.239 0.738 1.00 0.65 C ATOM 1175 CD2 LEU A 75 15.313 2.044 0.273 1.00 0.61 C ATOM 0 H LEU A 75 14.827 -0.421 -3.814 1.00 0.47 H new ATOM 0 HA LEU A 75 15.320 -1.889 -1.451 1.00 0.48 H new ATOM 0 HB2 LEU A 75 16.124 0.395 -1.849 1.00 0.53 H new ATOM 0 HB3 LEU A 75 14.480 0.990 -1.962 1.00 0.53 H new ATOM 0 HG LEU A 75 14.157 0.257 0.448 1.00 0.56 H new ATOM 0 HD11 LEU A 75 16.196 -0.010 1.804 1.00 0.65 H new ATOM 0 HD12 LEU A 75 16.034 -1.305 0.593 1.00 0.65 H new ATOM 0 HD13 LEU A 75 17.181 0.028 0.322 1.00 0.65 H new ATOM 0 HD21 LEU A 75 15.315 2.243 1.345 1.00 0.61 H new ATOM 0 HD22 LEU A 75 16.263 2.361 -0.157 1.00 0.61 H new ATOM 0 HD23 LEU A 75 14.499 2.597 -0.197 1.00 0.61 H new ATOM 1187 N SER A 76 12.221 -1.030 -2.035 1.00 0.45 N ATOM 1188 CA SER A 76 10.836 -1.198 -1.606 1.00 0.46 C ATOM 1189 C SER A 76 10.434 -2.674 -1.535 1.00 0.43 C ATOM 1190 O SER A 76 9.405 -3.015 -0.953 1.00 0.45 O ATOM 1191 CB SER A 76 9.903 -0.451 -2.561 1.00 0.55 C ATOM 1192 OG SER A 76 10.277 0.912 -2.669 1.00 0.82 O ATOM 0 H SER A 76 12.325 -0.609 -2.958 1.00 0.45 H new ATOM 0 HA SER A 76 10.748 -0.783 -0.602 1.00 0.46 H new ATOM 0 HB2 SER A 76 9.932 -0.919 -3.545 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.876 -0.523 -2.203 1.00 0.55 H new ATOM 0 HG SER A 76 11.156 0.977 -3.098 1.00 0.82 H new ATOM 1198 N LYS A 77 11.262 -3.547 -2.098 1.00 0.45 N ATOM 1199 CA LYS A 77 10.977 -4.979 -2.114 1.00 0.51 C ATOM 1200 C LYS A 77 11.052 -5.588 -0.711 1.00 0.47 C ATOM 1201 O LYS A 77 10.665 -6.734 -0.505 1.00 0.56 O ATOM 1202 CB LYS A 77 11.943 -5.703 -3.054 1.00 0.63 C ATOM 1203 CG LYS A 77 11.321 -6.891 -3.766 1.00 0.94 C ATOM 1204 CD LYS A 77 12.315 -7.573 -4.692 1.00 1.20 C ATOM 1205 CE LYS A 77 11.656 -8.699 -5.470 1.00 1.60 C ATOM 1206 NZ LYS A 77 12.618 -9.407 -6.356 1.00 1.89 N ATOM 0 H LYS A 77 12.139 -3.288 -2.551 1.00 0.45 H new ATOM 0 HA LYS A 77 9.958 -5.107 -2.478 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.312 -4.996 -3.798 1.00 0.63 H new ATOM 0 HB3 LYS A 77 12.806 -6.044 -2.483 1.00 0.63 H new ATOM 0 HG2 LYS A 77 10.958 -7.608 -3.029 1.00 0.94 H new ATOM 0 HG3 LYS A 77 10.456 -6.559 -4.341 1.00 0.94 H new ATOM 0 HD2 LYS A 77 12.730 -6.842 -5.386 1.00 1.20 H new ATOM 0 HD3 LYS A 77 13.147 -7.968 -4.109 1.00 1.20 H new ATOM 0 HE2 LYS A 77 11.215 -9.411 -4.772 1.00 1.60 H new ATOM 0 HE3 LYS A 77 10.841 -8.295 -6.071 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 12.125 -10.167 -6.867 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 13.020 -8.734 -7.040 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 13.383 -9.816 -5.782 1.00 1.89 H new ATOM 1220 N THR A 78 11.550 -4.827 0.252 1.00 0.42 N ATOM 1221 CA THR A 78 11.644 -5.315 1.618 1.00 0.48 C ATOM 1222 C THR A 78 10.414 -4.893 2.422 1.00 0.43 C ATOM 1223 O THR A 78 10.182 -5.380 3.530 1.00 0.53 O ATOM 1224 CB THR A 78 12.938 -4.818 2.315 1.00 0.59 C ATOM 1225 OG1 THR A 78 13.214 -5.608 3.482 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.831 -3.351 2.709 1.00 0.63 C ATOM 0 H THR A 78 11.893 -3.876 0.114 1.00 0.42 H new ATOM 0 HA THR A 78 11.685 -6.403 1.577 1.00 0.48 H new ATOM 0 HB THR A 78 13.755 -4.925 1.601 1.00 0.59 H new ATOM 0 HG1 THR A 78 12.376 -5.803 3.950 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.755 -3.036 3.195 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.665 -2.746 1.818 1.00 0.63 H new ATOM 0 HG23 THR A 78 11.996 -3.219 3.397 1.00 0.63 H new ATOM 1234 N PHE A 79 9.606 -4.015 1.839 1.00 0.36 N ATOM 1235 CA PHE A 79 8.409 -3.511 2.500 1.00 0.38 C ATOM 1236 C PHE A 79 7.153 -4.220 1.993 1.00 0.32 C ATOM 1237 O PHE A 79 6.035 -3.802 2.289 1.00 0.33 O ATOM 1238 CB PHE A 79 8.267 -2.003 2.266 1.00 0.46 C ATOM 1239 CG PHE A 79 9.377 -1.178 2.862 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.766 -1.358 4.182 1.00 1.10 C ATOM 1241 CD2 PHE A 79 10.028 -0.218 2.103 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.782 -0.598 4.728 1.00 1.16 C ATOM 1243 CE2 PHE A 79 11.045 0.543 2.644 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.423 0.354 3.959 1.00 0.70 C ATOM 0 H PHE A 79 9.760 -3.636 0.905 1.00 0.36 H new ATOM 0 HA PHE A 79 8.515 -3.709 3.567 1.00 0.38 H new ATOM 0 HB2 PHE A 79 8.226 -1.816 1.193 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.317 -1.670 2.684 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.269 -2.100 4.789 1.00 1.10 H new ATOM 0 HD2 PHE A 79 9.736 -0.063 1.075 1.00 0.96 H new ATOM 0 HE1 PHE A 79 11.075 -0.748 5.756 1.00 1.16 H new ATOM 0 HE2 PHE A 79 11.545 1.286 2.039 1.00 1.01 H new ATOM 0 HZ PHE A 79 12.217 0.949 4.385 1.00 0.70 H new ATOM 1254 N ILE A 80 7.338 -5.285 1.227 1.00 0.38 N ATOM 1255 CA ILE A 80 6.207 -6.030 0.684 1.00 0.36 C ATOM 1256 C ILE A 80 5.729 -7.095 1.673 1.00 0.33 C ATOM 1257 O ILE A 80 6.521 -7.892 2.180 1.00 0.42 O ATOM 1258 CB ILE A 80 6.551 -6.683 -0.681 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.327 -7.391 -1.265 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.717 -7.655 -0.554 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.344 -6.450 -1.922 1.00 0.72 C ATOM 0 H ILE A 80 8.253 -5.653 0.967 1.00 0.38 H new ATOM 0 HA ILE A 80 5.400 -5.315 0.520 1.00 0.36 H new ATOM 0 HB ILE A 80 6.851 -5.886 -1.362 1.00 0.46 H new ATOM 0 HG12 ILE A 80 5.658 -8.128 -1.997 1.00 0.46 H new ATOM 0 HG13 ILE A 80 4.819 -7.937 -0.470 1.00 0.46 H new ATOM 0 HG21 ILE A 80 7.932 -8.095 -1.528 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.597 -7.122 -0.194 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.457 -8.445 0.151 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.501 -7.020 -2.314 1.00 0.72 H new ATOM 0 HD12 ILE A 80 3.985 -5.729 -1.188 1.00 0.72 H new ATOM 0 HD13 ILE A 80 4.836 -5.922 -2.739 1.00 0.72 H new ATOM 1273 N ILE A 81 4.437 -7.074 1.978 1.00 0.28 N ATOM 1274 CA ILE A 81 3.859 -8.051 2.897 1.00 0.32 C ATOM 1275 C ILE A 81 2.806 -8.902 2.197 1.00 0.29 C ATOM 1276 O ILE A 81 2.421 -9.968 2.683 1.00 0.31 O ATOM 1277 CB ILE A 81 3.241 -7.391 4.159 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.030 -6.511 3.802 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.296 -6.587 4.907 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.369 -5.069 3.478 1.00 0.77 C ATOM 0 H ILE A 81 3.772 -6.396 1.606 1.00 0.28 H new ATOM 0 HA ILE A 81 4.682 -8.687 3.224 1.00 0.32 H new ATOM 0 HB ILE A 81 2.882 -8.187 4.812 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.518 -6.951 2.946 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.328 -6.527 4.636 1.00 0.50 H new ATOM 0 HG21 ILE A 81 3.848 -6.130 5.789 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.107 -7.247 5.213 1.00 0.43 H new ATOM 0 HG23 ILE A 81 4.689 -5.807 4.255 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.455 -4.525 3.239 1.00 0.77 H new ATOM 0 HD12 ILE A 81 2.852 -4.606 4.339 1.00 0.77 H new ATOM 0 HD13 ILE A 81 3.044 -5.037 2.623 1.00 0.77 H new ATOM 1292 N GLY A 82 2.345 -8.435 1.047 1.00 0.32 N ATOM 1293 CA GLY A 82 1.347 -9.168 0.303 1.00 0.35 C ATOM 1294 C GLY A 82 0.841 -8.395 -0.893 1.00 0.31 C ATOM 1295 O GLY A 82 1.364 -7.327 -1.218 1.00 0.34 O ATOM 0 H GLY A 82 2.646 -7.560 0.617 1.00 0.32 H new ATOM 0 HA2 GLY A 82 1.770 -10.115 -0.032 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.510 -9.406 0.959 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.178 -8.925 -1.546 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.759 -8.282 -2.713 1.00 0.31 C ATOM 1301 C GLU A 83 -2.270 -8.475 -2.734 1.00 0.32 C ATOM 1302 O GLU A 83 -2.821 -9.216 -1.919 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.129 -8.828 -3.996 1.00 0.37 C ATOM 1304 CG GLU A 83 0.106 -10.327 -3.975 1.00 0.61 C ATOM 1305 CD GLU A 83 0.765 -10.825 -5.243 1.00 0.54 C ATOM 1306 OE1 GLU A 83 1.941 -10.481 -5.485 1.00 0.86 O ATOM 1307 OE2 GLU A 83 0.109 -11.567 -6.003 1.00 0.72 O ATOM 0 H GLU A 83 -0.623 -9.805 -1.286 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.551 -7.214 -2.656 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.775 -8.583 -4.839 1.00 0.37 H new ATOM 0 HB3 GLU A 83 0.822 -8.323 -4.166 1.00 0.37 H new ATOM 0 HG2 GLU A 83 0.731 -10.582 -3.119 1.00 0.61 H new ATOM 0 HG3 GLU A 83 -0.846 -10.840 -3.838 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.924 -7.805 -3.674 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.375 -7.872 -3.810 1.00 0.44 C ATOM 1316 C LEU A 84 -4.821 -9.231 -4.339 1.00 0.40 C ATOM 1317 O LEU A 84 -4.091 -9.890 -5.081 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.869 -6.768 -4.750 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.190 -5.422 -4.089 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -6.290 -5.583 -3.055 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -3.951 -4.817 -3.450 1.00 0.87 C ATOM 0 H LEU A 84 -2.468 -7.203 -4.360 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.808 -7.730 -2.820 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -4.111 -6.603 -5.516 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.765 -7.124 -5.259 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.538 -4.743 -4.867 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -6.503 -4.617 -2.597 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -7.191 -5.963 -3.538 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -5.967 -6.285 -2.286 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -4.208 -3.863 -2.989 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -3.566 -5.496 -2.689 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.189 -4.657 -4.213 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.031 -9.633 -3.961 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.593 -10.909 -4.400 1.00 0.48 C ATOM 1335 C HIS A 85 -6.843 -10.887 -5.907 1.00 0.42 C ATOM 1336 O HIS A 85 -7.178 -9.844 -6.464 1.00 0.39 O ATOM 1337 CB HIS A 85 -7.911 -11.199 -3.668 1.00 0.61 C ATOM 1338 CG HIS A 85 -7.736 -11.805 -2.307 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -8.044 -13.116 -2.022 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.288 -11.269 -1.148 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -7.796 -13.360 -0.751 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -7.336 -12.258 -0.195 1.00 1.10 N ATOM 0 H HIS A 85 -6.644 -9.093 -3.350 1.00 0.45 H new ATOM 0 HA HIS A 85 -5.875 -11.695 -4.164 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.472 -10.270 -3.571 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.513 -11.872 -4.279 1.00 0.61 H new ATOM 0 HD2 HIS A 85 -6.955 -10.253 -1.000 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -7.945 -14.305 -0.249 1.00 1.48 H new ATOM 0 HE2 HIS A 85 -7.061 -12.156 0.782 1.00 1.10 H new ATOM 1351 N PRO A 86 -6.681 -12.034 -6.587 1.00 0.45 N ATOM 1352 CA PRO A 86 -6.904 -12.129 -8.036 1.00 0.44 C ATOM 1353 C PRO A 86 -8.348 -11.801 -8.402 1.00 0.40 C ATOM 1354 O PRO A 86 -8.630 -11.228 -9.460 1.00 0.42 O ATOM 1355 CB PRO A 86 -6.588 -13.598 -8.359 1.00 0.53 C ATOM 1356 CG PRO A 86 -6.684 -14.315 -7.056 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.266 -13.323 -6.008 1.00 0.53 C ATOM 0 HA PRO A 86 -6.289 -11.424 -8.595 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -7.295 -14.002 -9.084 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -5.593 -13.701 -8.792 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -7.700 -14.667 -6.878 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.037 -15.192 -7.044 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -6.757 -13.513 -5.054 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.192 -13.357 -5.826 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.251 -12.133 -7.488 1.00 0.41 N ATOM 1366 CA ASP A 87 -10.678 -11.895 -7.670 1.00 0.43 C ATOM 1367 C ASP A 87 -10.982 -10.401 -7.695 1.00 0.41 C ATOM 1368 O ASP A 87 -12.019 -9.971 -8.198 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.468 -12.578 -6.549 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.104 -14.042 -6.406 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -11.621 -14.867 -7.187 1.00 1.30 O ATOM 1372 OD2 ASP A 87 -10.281 -14.376 -5.525 1.00 1.28 O ATOM 0 H ASP A 87 -9.015 -12.575 -6.599 1.00 0.41 H new ATOM 0 HA ASP A 87 -10.979 -12.318 -8.628 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.278 -12.064 -5.607 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.535 -12.488 -6.751 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.063 -9.612 -7.159 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.216 -8.164 -7.122 1.00 0.50 C ATOM 1379 C ASP A 88 -9.132 -7.512 -7.960 1.00 0.49 C ATOM 1380 O ASP A 88 -8.913 -6.301 -7.901 1.00 0.64 O ATOM 1381 CB ASP A 88 -10.148 -7.650 -5.684 1.00 0.60 C ATOM 1382 CG ASP A 88 -11.254 -8.207 -4.813 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -12.403 -7.730 -4.922 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -10.979 -9.124 -4.007 1.00 1.20 O ATOM 0 H ASP A 88 -9.197 -9.953 -6.741 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.192 -7.906 -7.532 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -9.183 -7.915 -5.253 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -10.207 -6.562 -5.688 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.455 -8.329 -8.748 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.382 -7.850 -9.601 1.00 0.51 C ATOM 1391 C ARG A 89 -7.772 -7.968 -11.069 1.00 0.57 C ATOM 1392 O ARG A 89 -7.638 -7.015 -11.831 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.103 -8.645 -9.339 1.00 0.56 C ATOM 1394 CG ARG A 89 -4.851 -7.997 -9.903 1.00 0.89 C ATOM 1395 CD ARG A 89 -3.661 -8.943 -9.838 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.394 -9.403 -8.471 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.276 -10.024 -8.099 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.305 -10.233 -8.978 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.128 -10.429 -6.847 1.00 0.81 N ATOM 0 H ARG A 89 -8.631 -9.332 -8.815 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.203 -6.800 -9.369 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -5.981 -8.774 -8.264 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.211 -9.641 -9.769 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.027 -7.701 -10.937 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.627 -7.088 -9.345 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -3.848 -9.804 -10.479 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -2.777 -8.440 -10.230 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.108 -9.237 -7.762 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.413 -9.918 -9.942 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.450 -10.709 -8.690 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -2.870 -10.265 -6.167 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.272 -10.905 -6.563 1.00 0.81 H new ATOM 1413 N SER A 90 -8.257 -9.137 -11.455 1.00 0.50 N ATOM 1414 CA SER A 90 -8.657 -9.382 -12.834 1.00 0.59 C ATOM 1415 C SER A 90 -10.077 -9.941 -12.902 1.00 0.57 C ATOM 1416 O SER A 90 -10.401 -10.748 -13.772 1.00 0.88 O ATOM 1417 CB SER A 90 -7.666 -10.350 -13.487 1.00 0.71 C ATOM 1418 OG SER A 90 -7.076 -11.197 -12.511 1.00 1.16 O ATOM 0 H SER A 90 -8.384 -9.934 -10.832 1.00 0.50 H new ATOM 0 HA SER A 90 -8.648 -8.436 -13.376 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.179 -10.953 -14.237 1.00 0.71 H new ATOM 0 HB3 SER A 90 -6.889 -9.788 -14.006 1.00 0.71 H new ATOM 0 HG SER A 90 -6.447 -11.810 -12.947 1.00 1.16 H new ATOM 1424 N LYS A 91 -10.926 -9.501 -11.983 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.305 -9.962 -11.942 1.00 0.49 C ATOM 1426 C LYS A 91 -13.228 -8.823 -11.517 1.00 0.51 C ATOM 1427 O LYS A 91 -14.057 -8.359 -12.303 1.00 0.59 O ATOM 1428 CB LYS A 91 -12.425 -11.147 -10.980 1.00 0.47 C ATOM 1429 CG LYS A 91 -13.733 -11.913 -11.094 1.00 1.02 C ATOM 1430 CD LYS A 91 -13.936 -12.844 -9.907 1.00 1.09 C ATOM 1431 CE LYS A 91 -12.906 -13.963 -9.886 1.00 1.24 C ATOM 1432 NZ LYS A 91 -13.342 -15.145 -10.671 1.00 1.76 N ATOM 0 H LYS A 91 -10.683 -8.826 -11.257 1.00 0.52 H new ATOM 0 HA LYS A 91 -12.605 -10.290 -12.937 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -11.598 -11.833 -11.162 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -12.318 -10.783 -9.958 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -14.564 -11.210 -11.154 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -13.738 -12.492 -12.018 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -13.871 -12.272 -8.981 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -14.938 -13.272 -9.948 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -11.962 -13.592 -10.286 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -12.720 -14.263 -8.855 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -12.608 -15.881 -10.627 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -14.229 -15.517 -10.275 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -13.495 -14.867 -11.661 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.066 -8.380 -10.268 1.00 0.48 N ATOM 1447 CA LEU A 92 -13.852 -7.279 -9.705 1.00 0.55 C ATOM 1448 C LEU A 92 -15.345 -7.597 -9.681 1.00 0.58 C ATOM 1449 O LEU A 92 -16.152 -6.889 -10.281 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.610 -5.973 -10.479 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.342 -5.189 -10.094 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.212 -5.071 -8.581 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.104 -5.838 -10.695 1.00 0.90 C ATOM 0 H LEU A 92 -12.386 -8.774 -9.618 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.517 -7.149 -8.676 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.560 -6.207 -11.542 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.473 -5.323 -10.336 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.431 -4.182 -10.503 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -11.308 -4.513 -8.336 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.081 -4.548 -8.181 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.154 -6.067 -8.142 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.220 -5.268 -10.410 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.012 -6.859 -10.325 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.192 -5.853 -11.781 1.00 0.90 H new ATOM 1465 N SER A 93 -15.707 -8.666 -8.994 1.00 0.52 N ATOM 1466 CA SER A 93 -17.104 -9.059 -8.883 1.00 0.57 C ATOM 1467 C SER A 93 -17.565 -8.936 -7.433 1.00 0.58 C ATOM 1468 O SER A 93 -17.814 -9.936 -6.757 1.00 0.70 O ATOM 1469 CB SER A 93 -17.294 -10.489 -9.395 1.00 0.62 C ATOM 1470 OG SER A 93 -16.780 -10.622 -10.714 1.00 0.70 O ATOM 0 H SER A 93 -15.055 -9.278 -8.504 1.00 0.52 H new ATOM 0 HA SER A 93 -17.712 -8.394 -9.497 1.00 0.57 H new ATOM 0 HB2 SER A 93 -16.788 -11.189 -8.730 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.353 -10.747 -9.384 1.00 0.62 H new ATOM 0 HG SER A 93 -16.909 -11.543 -11.024 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.655 -7.699 -6.962 1.00 0.57 N ATOM 1477 CA LYS A 94 -18.058 -7.415 -5.587 1.00 0.60 C ATOM 1478 C LYS A 94 -19.040 -6.247 -5.534 1.00 0.71 C ATOM 1479 O LYS A 94 -18.973 -5.333 -6.360 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.828 -7.067 -4.740 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.391 -8.162 -3.779 1.00 0.73 C ATOM 1482 CD LYS A 94 -15.577 -9.238 -4.480 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.646 -9.946 -3.512 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.611 -9.027 -2.972 1.00 0.93 N ATOM 0 H LYS A 94 -17.452 -6.867 -7.517 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.544 -8.307 -5.191 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -15.998 -6.834 -5.407 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -17.040 -6.164 -4.168 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -15.799 -7.725 -2.975 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -17.270 -8.613 -3.319 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -16.249 -9.964 -4.938 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.995 -8.790 -5.285 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.226 -10.364 -2.689 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -14.162 -10.782 -4.018 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -12.716 -9.543 -2.853 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -13.470 -8.237 -3.633 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -13.922 -8.657 -2.051 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.972 -6.268 -4.566 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.946 -5.192 -4.386 1.00 0.92 C ATOM 1500 C PRO A 95 -20.289 -3.946 -3.797 1.00 0.95 C ATOM 1501 O PRO A 95 -19.124 -3.978 -3.394 1.00 1.03 O ATOM 1502 CB PRO A 95 -21.956 -5.783 -3.399 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.187 -6.799 -2.631 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.159 -7.353 -3.581 1.00 0.84 C ATOM 0 HA PRO A 95 -21.398 -4.875 -5.326 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.363 -5.015 -2.742 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.800 -6.236 -3.920 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -20.710 -6.350 -1.760 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -21.843 -7.588 -2.264 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.228 -7.593 -3.068 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.506 -8.270 -4.057 1.00 0.84 H new ATOM 1512 N MET A 96 -21.030 -2.855 -3.732 1.00 1.06 N ATOM 1513 CA MET A 96 -20.491 -1.616 -3.203 1.00 1.14 C ATOM 1514 C MET A 96 -21.239 -1.170 -1.951 1.00 1.16 C ATOM 1515 O MET A 96 -20.742 -1.345 -0.837 1.00 1.25 O ATOM 1516 CB MET A 96 -20.540 -0.520 -4.273 1.00 1.31 C ATOM 1517 CG MET A 96 -19.943 0.802 -3.826 1.00 1.38 C ATOM 1518 SD MET A 96 -20.056 2.069 -5.098 1.00 1.63 S ATOM 1519 CE MET A 96 -21.829 2.144 -5.356 1.00 1.94 C ATOM 0 H MET A 96 -22.002 -2.801 -4.037 1.00 1.06 H new ATOM 0 HA MET A 96 -19.453 -1.795 -2.922 1.00 1.14 H new ATOM 0 HB2 MET A 96 -20.008 -0.867 -5.159 1.00 1.31 H new ATOM 0 HB3 MET A 96 -21.577 -0.358 -4.567 1.00 1.31 H new ATOM 0 HG2 MET A 96 -20.457 1.145 -2.928 1.00 1.38 H new ATOM 0 HG3 MET A 96 -18.897 0.653 -3.557 1.00 1.38 H new ATOM 0 HE1 MET A 96 -22.112 3.156 -5.644 1.00 1.94 H new ATOM 0 HE2 MET A 96 -22.111 1.449 -6.147 1.00 1.94 H new ATOM 0 HE3 MET A 96 -22.343 1.872 -4.434 1.00 1.94 H new ATOM 1529 N GLU A 97 -22.443 -0.625 -2.151 1.00 1.14 N ATOM 1530 CA GLU A 97 -23.288 -0.119 -1.063 1.00 1.22 C ATOM 1531 C GLU A 97 -22.668 1.112 -0.409 1.00 1.29 C ATOM 1532 O GLU A 97 -21.681 1.017 0.318 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.563 -1.204 -0.018 1.00 1.28 C ATOM 1534 CG GLU A 97 -25.024 -1.611 0.048 1.00 1.50 C ATOM 1535 CD GLU A 97 -25.590 -1.943 -1.314 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -25.407 -3.090 -1.776 1.00 2.38 O ATOM 1537 OE2 GLU A 97 -26.216 -1.054 -1.937 1.00 2.57 O ATOM 0 H GLU A 97 -22.861 -0.522 -3.076 1.00 1.14 H new ATOM 0 HA GLU A 97 -24.242 0.174 -1.502 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -22.958 -2.081 -0.246 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -23.248 -0.845 0.962 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -25.128 -2.476 0.703 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.604 -0.803 0.493 1.00 1.50 H new ATOM 1544 N THR A 98 -23.249 2.274 -0.676 1.00 1.31 N ATOM 1545 CA THR A 98 -22.747 3.518 -0.120 1.00 1.40 C ATOM 1546 C THR A 98 -23.828 4.600 -0.155 1.00 1.39 C ATOM 1547 O THR A 98 -24.895 4.397 -0.742 1.00 1.35 O ATOM 1548 CB THR A 98 -21.495 4.004 -0.887 1.00 1.43 C ATOM 1549 OG1 THR A 98 -20.887 5.099 -0.198 1.00 1.57 O ATOM 1550 CG2 THR A 98 -21.848 4.426 -2.307 1.00 1.37 C ATOM 0 H THR A 98 -24.068 2.378 -1.275 1.00 1.31 H new ATOM 0 HA THR A 98 -22.468 3.329 0.916 1.00 1.40 H new ATOM 0 HB THR A 98 -20.792 3.172 -0.939 1.00 1.43 H new ATOM 0 HG1 THR A 98 -20.095 5.397 -0.692 1.00 1.57 H new ATOM 0 HG21 THR A 98 -20.948 4.763 -2.821 1.00 1.37 H new ATOM 0 HG22 THR A 98 -22.276 3.579 -2.843 1.00 1.37 H new ATOM 0 HG23 THR A 98 -22.573 5.239 -2.275 1.00 1.37 H new ATOM 1558 N LEU A 99 -23.547 5.737 0.491 1.00 1.46 N ATOM 1559 CA LEU A 99 -24.476 6.869 0.549 1.00 1.48 C ATOM 1560 C LEU A 99 -25.818 6.460 1.150 1.00 1.52 C ATOM 1561 O LEU A 99 -26.866 6.991 0.788 1.00 1.53 O ATOM 1562 CB LEU A 99 -24.672 7.464 -0.852 1.00 1.43 C ATOM 1563 CG LEU A 99 -23.399 8.010 -1.505 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -23.596 8.175 -3.005 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -23.004 9.331 -0.865 1.00 1.61 C ATOM 0 H LEU A 99 -22.670 5.897 0.987 1.00 1.46 H new ATOM 0 HA LEU A 99 -24.042 7.629 1.199 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -25.095 6.697 -1.501 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -25.405 8.269 -0.790 1.00 1.43 H new ATOM 0 HG LEU A 99 -22.592 7.295 -1.346 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -22.681 8.564 -3.452 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -23.834 7.209 -3.449 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -24.414 8.871 -3.190 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -22.098 9.708 -1.339 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -23.809 10.054 -0.996 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -22.822 9.180 0.199 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.771 5.520 2.084 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.973 5.026 2.742 1.00 1.68 C ATOM 1579 C ILE A 100 -27.169 5.696 4.099 1.00 1.72 C ATOM 1580 O ILE A 100 -27.920 5.213 4.945 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.915 3.496 2.935 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.562 3.076 3.526 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -27.167 2.785 1.613 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -25.503 1.622 3.946 1.00 1.79 C ATOM 0 H ILE A 100 -24.908 5.082 2.405 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.816 5.271 2.096 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.697 3.207 3.637 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.781 3.264 2.790 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.343 3.703 4.390 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -27.123 1.707 1.766 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -28.152 3.058 1.235 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -26.407 3.081 0.890 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -24.517 1.401 4.354 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -26.261 1.432 4.706 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -25.689 0.986 3.081 1.00 1.79 H new ATOM 1596 N THR A 101 -26.472 6.803 4.313 1.00 1.73 N ATOM 1597 CA THR A 101 -26.566 7.544 5.562 1.00 1.77 C ATOM 1598 C THR A 101 -26.209 9.005 5.327 1.00 1.85 C ATOM 1599 O THR A 101 -25.319 9.310 4.535 1.00 1.80 O ATOM 1600 CB THR A 101 -25.627 6.959 6.641 1.00 1.70 C ATOM 1601 OG1 THR A 101 -25.651 5.524 6.590 1.00 1.85 O ATOM 1602 CG2 THR A 101 -26.038 7.423 8.031 1.00 1.98 C ATOM 0 H THR A 101 -25.831 7.210 3.632 1.00 1.73 H new ATOM 0 HA THR A 101 -27.593 7.462 5.918 1.00 1.77 H new ATOM 0 HB THR A 101 -24.617 7.316 6.438 1.00 1.70 H new ATOM 0 HG1 THR A 101 -25.052 5.162 7.276 1.00 1.85 H new ATOM 0 HG21 THR A 101 -25.361 6.997 8.772 1.00 1.98 H new ATOM 0 HG22 THR A 101 -25.991 8.511 8.080 1.00 1.98 H new ATOM 0 HG23 THR A 101 -27.056 7.094 8.238 1.00 1.98 H new ATOM 1610 N THR A 102 -26.916 9.899 6.000 1.00 2.05 N ATOM 1611 CA THR A 102 -26.673 11.325 5.873 1.00 2.18 C ATOM 1612 C THR A 102 -25.460 11.741 6.707 1.00 2.11 C ATOM 1613 O THR A 102 -25.308 11.315 7.853 1.00 2.23 O ATOM 1614 CB THR A 102 -27.913 12.114 6.322 1.00 2.58 C ATOM 1615 OG1 THR A 102 -29.090 11.313 6.117 1.00 2.89 O ATOM 1616 CG2 THR A 102 -28.040 13.415 5.545 1.00 2.72 C ATOM 0 H THR A 102 -27.669 9.658 6.645 1.00 2.05 H new ATOM 0 HA THR A 102 -26.468 11.548 4.826 1.00 2.18 H new ATOM 0 HB THR A 102 -27.807 12.354 7.380 1.00 2.58 H new ATOM 0 HG1 THR A 102 -29.881 11.815 6.405 1.00 2.89 H new ATOM 0 HG21 THR A 102 -28.925 13.955 5.881 1.00 2.72 H new ATOM 0 HG22 THR A 102 -27.155 14.028 5.715 1.00 2.72 H new ATOM 0 HG23 THR A 102 -28.131 13.196 4.481 1.00 2.72 H new ATOM 1624 N VAL A 103 -24.589 12.555 6.123 1.00 2.05 N ATOM 1625 CA VAL A 103 -23.392 13.013 6.817 1.00 2.08 C ATOM 1626 C VAL A 103 -23.359 14.535 6.919 1.00 2.14 C ATOM 1627 O VAL A 103 -22.367 15.117 7.362 1.00 2.25 O ATOM 1628 CB VAL A 103 -22.110 12.525 6.107 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -21.980 11.010 6.198 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -22.092 12.978 4.652 1.00 1.94 C ATOM 0 H VAL A 103 -24.689 12.911 5.172 1.00 2.05 H new ATOM 0 HA VAL A 103 -23.427 12.589 7.820 1.00 2.08 H new ATOM 0 HB VAL A 103 -21.255 12.970 6.615 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -21.069 10.692 5.690 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -21.935 10.711 7.245 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -22.842 10.542 5.724 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -21.180 12.623 4.172 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -22.959 12.569 4.133 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -22.124 14.067 4.609 1.00 1.94 H new ATOM 1640 N ASP A 104 -24.440 15.176 6.510 1.00 2.18 N ATOM 1641 CA ASP A 104 -24.525 16.628 6.553 1.00 2.30 C ATOM 1642 C ASP A 104 -25.713 17.061 7.397 1.00 2.65 C ATOM 1643 O ASP A 104 -25.640 18.139 8.023 1.00 2.86 O ATOM 1644 CB ASP A 104 -24.645 17.205 5.138 1.00 2.32 C ATOM 1645 CG ASP A 104 -25.921 16.786 4.435 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -26.006 15.618 3.996 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -26.839 17.623 4.307 1.00 2.82 O ATOM 0 H ASP A 104 -25.273 14.715 6.144 1.00 2.18 H new ATOM 0 HA ASP A 104 -23.611 17.012 7.006 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -24.606 18.293 5.190 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -23.788 16.883 4.546 1.00 2.32 H new TER 1652 ASP A 104 HETATM 1653 CHA HEM A 400 10.750 10.003 -3.959 1.00 0.46 C HETATM 1654 CHB HEM A 400 10.335 5.649 -2.016 1.00 0.49 C HETATM 1655 CHC HEM A 400 5.588 5.847 -2.577 1.00 0.41 C HETATM 1656 CHD HEM A 400 5.987 10.265 -4.365 1.00 0.38 C HETATM 1657 C1A HEM A 400 11.055 8.781 -3.411 1.00 0.46 C HETATM 1658 C2A HEM A 400 12.394 8.349 -3.078 1.00 0.53 C HETATM 1659 C3A HEM A 400 12.268 7.124 -2.509 1.00 0.54 C HETATM 1660 C4A HEM A 400 10.862 6.812 -2.516 1.00 0.47 C HETATM 1661 CMA HEM A 400 13.358 6.283 -1.940 1.00 0.63 C HETATM 1662 CAA HEM A 400 13.665 9.102 -3.323 1.00 0.61 C HETATM 1663 CBA HEM A 400 14.766 8.234 -3.941 1.00 0.95 C HETATM 1664 CGA HEM A 400 15.327 8.937 -5.172 1.00 0.91 C HETATM 1665 O1A HEM A 400 16.002 9.972 -5.010 1.00 1.48 O HETATM 1666 O2A HEM A 400 15.083 8.452 -6.290 1.00 1.29 O HETATM 1667 C1B HEM A 400 9.001 5.328 -1.997 1.00 0.46 C HETATM 1668 C2B HEM A 400 8.477 4.096 -1.465 1.00 0.51 C HETATM 1669 C3B HEM A 400 7.135 4.144 -1.634 1.00 0.49 C HETATM 1670 C4B HEM A 400 6.849 5.409 -2.262 1.00 0.42 C HETATM 1671 CMB HEM A 400 9.260 2.997 -0.836 1.00 0.60 C HETATM 1672 CAB HEM A 400 6.219 3.167 -1.269 1.00 0.55 C HETATM 1673 CBB HEM A 400 4.862 3.439 -0.610 1.00 1.07 C HETATM 1674 C1C HEM A 400 5.286 7.064 -3.130 1.00 0.37 C HETATM 1675 C2C HEM A 400 3.948 7.516 -3.404 1.00 0.40 C HETATM 1676 C3C HEM A 400 4.059 8.773 -3.884 1.00 0.40 C HETATM 1677 C4C HEM A 400 5.468 9.075 -3.919 1.00 0.36 C HETATM 1678 CMC HEM A 400 2.689 6.736 -3.226 1.00 0.47 C HETATM 1679 CAC HEM A 400 3.033 9.613 -4.251 1.00 0.45 C HETATM 1680 CBC HEM A 400 1.774 9.872 -3.418 1.00 0.52 C HETATM 1681 C1D HEM A 400 7.322 10.578 -4.414 1.00 0.39 C HETATM 1682 C2D HEM A 400 7.843 11.842 -4.879 1.00 0.45 C HETATM 1683 C3D HEM A 400 9.187 11.764 -4.767 1.00 0.47 C HETATM 1684 C4D HEM A 400 9.483 10.455 -4.237 1.00 0.42 C HETATM 1685 CMD HEM A 400 7.055 13.011 -5.385 1.00 0.50 C HETATM 1686 CAD HEM A 400 10.170 12.840 -5.083 1.00 0.55 C HETATM 1687 CBD HEM A 400 11.028 12.518 -6.304 1.00 0.70 C HETATM 1688 CGD HEM A 400 12.429 13.080 -6.088 1.00 1.09 C HETATM 1689 O1D HEM A 400 12.549 14.183 -5.509 1.00 1.52 O HETATM 1690 O2D HEM A 400 13.401 12.422 -6.506 1.00 1.79 O HETATM 1691 NA HEM A 400 10.118 7.830 -3.069 1.00 0.42 N HETATM 1692 NB HEM A 400 8.000 6.136 -2.486 1.00 0.40 N HETATM 1693 NC HEM A 400 6.221 8.023 -3.454 1.00 0.35 N HETATM 1694 ND HEM A 400 8.334 9.727 -4.023 1.00 0.37 N HETATM 1695 FE HEM A 400 8.172 7.910 -3.304 1.00 0.36 FE HETATM 0 HMA1 HEM A 400 12.971 5.703 -1.102 1.00 0.63 H new HETATM 0 HMA2 HEM A 400 14.169 6.924 -1.593 1.00 0.63 H new HETATM 0 HMA3 HEM A 400 13.733 5.606 -2.707 1.00 0.63 H new HETATM 0 HMB1 HEM A 400 10.259 2.966 -1.272 1.00 0.60 H new HETATM 0 HMB2 HEM A 400 8.758 2.046 -1.012 1.00 0.60 H new HETATM 0 HMB3 HEM A 400 9.338 3.173 0.237 1.00 0.60 H new HETATM 0 HMC1 HEM A 400 2.894 5.676 -3.374 1.00 0.47 H new HETATM 0 HMC2 HEM A 400 1.950 7.067 -3.955 1.00 0.47 H new HETATM 0 HMC3 HEM A 400 2.302 6.894 -2.219 1.00 0.47 H new HETATM 0 HMD1 HEM A 400 6.137 12.656 -5.853 1.00 0.50 H new HETATM 0 HMD2 HEM A 400 7.647 13.559 -6.118 1.00 0.50 H new HETATM 0 HMD3 HEM A 400 6.807 13.670 -4.553 1.00 0.50 H new HETATM 0 HBB1 HEM A 400 4.203 2.609 -0.356 1.00 1.07 H new HETATM 0 HBB2 HEM A 400 4.556 4.463 -0.395 1.00 1.07 H new HETATM 0 HBC1 HEM A 400 1.008 10.555 -3.786 1.00 0.52 H new HETATM 0 HBC2 HEM A 400 1.644 9.373 -2.458 1.00 0.52 H new HETATM 0 HBA1 HEM A 400 14.365 7.258 -4.216 1.00 0.95 H new HETATM 0 HBA2 HEM A 400 15.559 8.060 -3.214 1.00 0.95 H new HETATM 0 HAA1 HEM A 400 14.023 9.516 -2.380 1.00 0.61 H new HETATM 0 HAA2 HEM A 400 13.460 9.944 -3.984 1.00 0.61 H new HETATM 0 HBD1 HEM A 400 10.583 12.949 -7.201 1.00 0.70 H new HETATM 0 HBD2 HEM A 400 11.074 11.440 -6.458 1.00 0.70 H new HETATM 0 HAD1 HEM A 400 10.818 12.998 -4.221 1.00 0.55 H new HETATM 0 HAD2 HEM A 400 9.636 13.774 -5.256 1.00 0.55 H new HETATM 0 HHA HEM A 400 11.574 10.662 -4.190 1.00 0.46 H new HETATM 0 HHB HEM A 400 11.025 4.928 -1.604 1.00 0.49 H new HETATM 0 HHC HEM A 400 4.765 5.178 -2.372 1.00 0.41 H new HETATM 0 HHD HEM A 400 5.288 11.015 -4.705 1.00 0.38 H new HETATM 0 HAB HEM A 400 6.485 2.128 -1.466 1.00 0.55 H new HETATM 0 HAC HEM A 400 3.123 10.133 -5.205 1.00 0.45 H new