USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=30 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 26 THR OG1 : rot -52:sc= 1.32 USER MOD Set 1.2: A 38 THR OG1 : rot 43:sc= 1.19 USER MOD Set 2.1: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0525) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00212) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 5 SER OG : rot 180:sc= -0.192 USER MOD Single : A 10 LYS NZ :NH3+ -126:sc= 1.28 (180deg=-0.975) USER MOD Single : A 11 TYR OH : rot -123:sc= 1.21 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0582 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -0.0683 (180deg=-0.359) USER MOD Single : A 20 HIS : no HE2:sc= 0.927 K(o=0.93,f=-5.7!) USER MOD Single : A 21 ASN : amide:sc= 0.257 K(o=0.26,f=-5.8!) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.133 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.174 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.173 K(o=-0.17,f=-0.94) USER MOD Single : A 60 THR OG1 : rot 151:sc= 0.646 USER MOD Single : A 62 ASN : amide:sc= -2.3! C(o=-2.3!,f=-4.3!) USER MOD Single : A 69 SER OG : rot -102:sc= 1.4 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0926 USER MOD Single : A 76 SER OG : rot -88:sc= 1.07 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HE2:sc= 0.0733 K(o=0.073,f=-5.9!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= 1.25 (180deg=0.753) USER MOD Single : A 93 SER OG : rot 180:sc= -0.175 USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= 1.83 (180deg=1.68) USER MOD Single : A 96 MET CE :methyl 145:sc= -0.234 (180deg=-1.62) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0581 USER MOD Single : A 101 THR OG1 : rot 180:sc=-0.00653 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 400 HEM CMA :methyl 150:sc= -0.348 (180deg=-0.348) USER MOD Single : A 400 HEM CMB :methyl 150:sc= -0.504 (180deg=-0.504) USER MOD Single : A 400 HEM CMC :methyl -30:sc= -0.363 (180deg=-2.25) USER MOD Single : A 400 HEM CMD :methyl -30:sc= -1.19 (180deg=-2.94!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.128 -12.900 17.943 1.00 1.40 N ATOM 2 CA MET A 1 19.959 -13.403 18.700 1.00 1.19 C ATOM 3 C MET A 1 18.664 -12.819 18.141 1.00 1.07 C ATOM 4 O MET A 1 17.695 -13.542 17.914 1.00 1.47 O ATOM 5 CB MET A 1 20.093 -13.047 20.185 1.00 1.39 C ATOM 6 CG MET A 1 18.958 -13.580 21.047 1.00 1.77 C ATOM 7 SD MET A 1 18.733 -12.638 22.575 1.00 2.23 S ATOM 8 CE MET A 1 20.320 -12.887 23.361 1.00 2.70 C ATOM 0 H1 MET A 1 21.998 -13.322 18.327 1.00 1.40 H new ATOM 0 H2 MET A 1 21.031 -13.160 16.941 1.00 1.40 H new ATOM 0 H3 MET A 1 21.178 -11.865 18.029 1.00 1.40 H new ATOM 0 HA MET A 1 19.927 -14.488 18.596 1.00 1.19 H new ATOM 0 HB2 MET A 1 21.038 -13.441 20.560 1.00 1.39 H new ATOM 0 HB3 MET A 1 20.136 -11.963 20.287 1.00 1.39 H new ATOM 0 HG2 MET A 1 18.032 -13.559 20.473 1.00 1.77 H new ATOM 0 HG3 MET A 1 19.155 -14.623 21.295 1.00 1.77 H new ATOM 0 HE1 MET A 1 20.290 -12.488 24.375 1.00 2.70 H new ATOM 0 HE2 MET A 1 20.545 -13.953 23.397 1.00 2.70 H new ATOM 0 HE3 MET A 1 21.093 -12.372 22.791 1.00 2.70 H new ATOM 20 N ALA A 2 18.650 -11.513 17.913 1.00 0.86 N ATOM 21 CA ALA A 2 17.464 -10.851 17.385 1.00 0.87 C ATOM 22 C ALA A 2 17.629 -10.522 15.905 1.00 0.72 C ATOM 23 O ALA A 2 17.514 -9.367 15.494 1.00 0.87 O ATOM 24 CB ALA A 2 17.166 -9.596 18.187 1.00 1.10 C ATOM 0 H ALA A 2 19.442 -10.893 18.084 1.00 0.86 H new ATOM 0 HA ALA A 2 16.620 -11.534 17.478 1.00 0.87 H new ATOM 0 HB1 ALA A 2 16.278 -9.109 17.784 1.00 1.10 H new ATOM 0 HB2 ALA A 2 16.992 -9.863 19.229 1.00 1.10 H new ATOM 0 HB3 ALA A 2 18.014 -8.914 18.124 1.00 1.10 H new ATOM 30 N ALA A 3 17.903 -11.542 15.106 1.00 0.71 N ATOM 31 CA ALA A 3 18.077 -11.363 13.674 1.00 0.72 C ATOM 32 C ALA A 3 17.326 -12.438 12.897 1.00 0.70 C ATOM 33 O ALA A 3 17.380 -13.622 13.240 1.00 1.05 O ATOM 34 CB ALA A 3 19.554 -11.382 13.312 1.00 0.96 C ATOM 0 H ALA A 3 18.010 -12.504 15.427 1.00 0.71 H new ATOM 0 HA ALA A 3 17.663 -10.393 13.400 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.667 -11.247 12.236 1.00 0.96 H new ATOM 0 HB2 ALA A 3 20.067 -10.575 13.835 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.988 -12.338 13.605 1.00 0.96 H new ATOM 40 N GLN A 4 16.613 -12.019 11.863 1.00 0.66 N ATOM 41 CA GLN A 4 15.853 -12.936 11.026 1.00 0.68 C ATOM 42 C GLN A 4 15.712 -12.364 9.621 1.00 0.66 C ATOM 43 O GLN A 4 15.981 -11.183 9.397 1.00 0.81 O ATOM 44 CB GLN A 4 14.471 -13.209 11.633 1.00 0.83 C ATOM 45 CG GLN A 4 13.693 -11.950 11.988 1.00 0.97 C ATOM 46 CD GLN A 4 12.339 -12.253 12.599 1.00 1.33 C ATOM 47 OE1 GLN A 4 11.706 -13.262 12.275 1.00 1.79 O ATOM 48 NE2 GLN A 4 11.885 -11.385 13.486 1.00 1.63 N ATOM 0 H GLN A 4 16.544 -11.041 11.581 1.00 0.66 H new ATOM 0 HA GLN A 4 16.392 -13.882 10.971 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.886 -13.799 10.928 1.00 0.83 H new ATOM 0 HB3 GLN A 4 14.593 -13.814 12.531 1.00 0.83 H new ATOM 0 HG2 GLN A 4 14.277 -11.352 12.687 1.00 0.97 H new ATOM 0 HG3 GLN A 4 13.556 -11.347 11.090 1.00 0.97 H new ATOM 0 HE21 GLN A 4 12.440 -10.563 13.726 1.00 1.63 H new ATOM 0 HE22 GLN A 4 10.980 -11.537 13.931 1.00 1.63 H new ATOM 57 N SER A 5 15.323 -13.205 8.677 1.00 0.71 N ATOM 58 CA SER A 5 15.136 -12.790 7.294 1.00 0.76 C ATOM 59 C SER A 5 14.141 -13.714 6.601 1.00 0.73 C ATOM 60 O SER A 5 14.473 -14.848 6.249 1.00 1.11 O ATOM 61 CB SER A 5 16.474 -12.799 6.544 1.00 0.98 C ATOM 62 OG SER A 5 17.459 -12.058 7.248 1.00 1.18 O ATOM 0 H SER A 5 15.128 -14.192 8.846 1.00 0.71 H new ATOM 0 HA SER A 5 14.742 -11.774 7.287 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.813 -13.826 6.411 1.00 0.98 H new ATOM 0 HB3 SER A 5 16.339 -12.377 5.548 1.00 0.98 H new ATOM 0 HG SER A 5 18.303 -12.080 6.750 1.00 1.18 H new ATOM 68 N ASP A 6 12.915 -13.244 6.434 1.00 0.62 N ATOM 69 CA ASP A 6 11.884 -14.035 5.779 1.00 0.68 C ATOM 70 C ASP A 6 10.932 -13.143 4.994 1.00 0.58 C ATOM 71 O ASP A 6 10.499 -12.100 5.483 1.00 0.80 O ATOM 72 CB ASP A 6 11.102 -14.857 6.804 1.00 0.89 C ATOM 73 CG ASP A 6 10.168 -15.847 6.142 1.00 1.54 C ATOM 74 OD1 ASP A 6 10.657 -16.862 5.602 1.00 2.18 O ATOM 75 OD2 ASP A 6 8.942 -15.623 6.166 1.00 1.98 O ATOM 0 H ASP A 6 12.609 -12.321 6.742 1.00 0.62 H new ATOM 0 HA ASP A 6 12.376 -14.715 5.084 1.00 0.68 H new ATOM 0 HB2 ASP A 6 11.800 -15.392 7.448 1.00 0.89 H new ATOM 0 HB3 ASP A 6 10.527 -14.187 7.443 1.00 0.89 H new ATOM 80 N LYS A 7 10.618 -13.551 3.776 1.00 0.54 N ATOM 81 CA LYS A 7 9.715 -12.798 2.920 1.00 0.58 C ATOM 82 C LYS A 7 8.490 -13.648 2.590 1.00 0.53 C ATOM 83 O LYS A 7 8.527 -14.469 1.674 1.00 0.85 O ATOM 84 CB LYS A 7 10.427 -12.379 1.627 1.00 0.81 C ATOM 85 CG LYS A 7 11.847 -11.870 1.837 1.00 1.05 C ATOM 86 CD LYS A 7 11.868 -10.517 2.535 1.00 1.24 C ATOM 87 CE LYS A 7 13.285 -10.115 2.924 1.00 1.58 C ATOM 88 NZ LYS A 7 13.386 -8.672 3.273 1.00 1.91 N ATOM 0 H LYS A 7 10.978 -14.407 3.354 1.00 0.54 H new ATOM 0 HA LYS A 7 9.398 -11.899 3.448 1.00 0.58 H new ATOM 0 HB2 LYS A 7 10.454 -13.231 0.947 1.00 0.81 H new ATOM 0 HB3 LYS A 7 9.842 -11.600 1.138 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.408 -12.593 2.430 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.350 -11.789 0.873 1.00 1.05 H new ATOM 0 HD2 LYS A 7 11.441 -9.760 1.877 1.00 1.24 H new ATOM 0 HD3 LYS A 7 11.241 -10.556 3.426 1.00 1.24 H new ATOM 0 HE2 LYS A 7 13.611 -10.716 3.773 1.00 1.58 H new ATOM 0 HE3 LYS A 7 13.962 -10.335 2.099 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 14.368 -8.445 3.531 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 13.101 -8.096 2.455 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 12.760 -8.465 4.077 1.00 1.91 H new ATOM 102 N ASP A 8 7.416 -13.465 3.344 1.00 0.50 N ATOM 103 CA ASP A 8 6.195 -14.234 3.123 1.00 0.54 C ATOM 104 C ASP A 8 5.121 -13.371 2.479 1.00 0.51 C ATOM 105 O ASP A 8 4.695 -12.364 3.046 1.00 0.83 O ATOM 106 CB ASP A 8 5.673 -14.815 4.437 1.00 0.75 C ATOM 107 CG ASP A 8 4.433 -15.663 4.243 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.457 -16.577 3.390 1.00 1.44 O ATOM 109 OD2 ASP A 8 3.434 -15.435 4.958 1.00 1.72 O ATOM 0 H ASP A 8 7.362 -12.795 4.111 1.00 0.50 H new ATOM 0 HA ASP A 8 6.438 -15.055 2.448 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.454 -15.419 4.899 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.449 -14.001 5.127 1.00 0.75 H new ATOM 114 N VAL A 9 4.699 -13.764 1.286 1.00 0.39 N ATOM 115 CA VAL A 9 3.673 -13.030 0.563 1.00 0.35 C ATOM 116 C VAL A 9 2.280 -13.530 0.955 1.00 0.33 C ATOM 117 O VAL A 9 1.916 -14.681 0.699 1.00 0.44 O ATOM 118 CB VAL A 9 3.876 -13.126 -0.972 1.00 0.44 C ATOM 119 CG1 VAL A 9 4.046 -14.569 -1.423 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.730 -12.457 -1.722 1.00 0.47 C ATOM 0 H VAL A 9 5.052 -14.588 0.799 1.00 0.39 H new ATOM 0 HA VAL A 9 3.759 -11.980 0.841 1.00 0.35 H new ATOM 0 HB VAL A 9 4.796 -12.592 -1.212 1.00 0.44 H new ATOM 0 HG11 VAL A 9 4.186 -14.598 -2.504 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.917 -15.003 -0.932 1.00 0.55 H new ATOM 0 HG13 VAL A 9 3.157 -15.141 -1.157 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.900 -12.540 -2.795 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.791 -12.947 -1.464 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.678 -11.404 -1.443 1.00 0.47 H new ATOM 130 N LYS A 10 1.518 -12.667 1.605 1.00 0.30 N ATOM 131 CA LYS A 10 0.173 -13.008 2.036 1.00 0.34 C ATOM 132 C LYS A 10 -0.853 -12.320 1.147 1.00 0.34 C ATOM 133 O LYS A 10 -0.590 -11.256 0.595 1.00 0.48 O ATOM 134 CB LYS A 10 -0.020 -12.597 3.495 1.00 0.42 C ATOM 135 CG LYS A 10 -0.661 -13.669 4.352 1.00 0.93 C ATOM 136 CD LYS A 10 -0.518 -13.348 5.831 1.00 0.98 C ATOM 137 CE LYS A 10 0.888 -13.637 6.338 1.00 1.27 C ATOM 138 NZ LYS A 10 1.195 -15.090 6.326 1.00 1.97 N ATOM 0 H LYS A 10 1.810 -11.720 1.847 1.00 0.30 H new ATOM 0 HA LYS A 10 0.032 -14.086 1.952 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.949 -12.336 3.920 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -0.637 -11.699 3.531 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -1.717 -13.759 4.097 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -0.198 -14.633 4.140 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -0.757 -12.298 6.000 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -1.238 -13.934 6.402 1.00 0.98 H new ATOM 0 HE2 LYS A 10 1.613 -13.108 5.719 1.00 1.27 H new ATOM 0 HE3 LYS A 10 0.994 -13.252 7.352 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 1.513 -15.386 7.271 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 0.341 -15.623 6.065 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 1.947 -15.280 5.633 1.00 1.97 H new ATOM 152 N TYR A 11 -2.013 -12.930 0.996 1.00 0.34 N ATOM 153 CA TYR A 11 -3.055 -12.350 0.165 1.00 0.35 C ATOM 154 C TYR A 11 -4.175 -11.782 1.019 1.00 0.33 C ATOM 155 O TYR A 11 -4.841 -12.505 1.764 1.00 0.39 O ATOM 156 CB TYR A 11 -3.585 -13.378 -0.834 1.00 0.43 C ATOM 157 CG TYR A 11 -2.678 -13.536 -2.031 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.485 -14.240 -1.933 1.00 0.85 C ATOM 159 CD2 TYR A 11 -3.005 -12.967 -3.253 1.00 0.81 C ATOM 160 CE1 TYR A 11 -0.645 -14.373 -3.019 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.169 -13.094 -4.344 1.00 0.95 C ATOM 162 CZ TYR A 11 -0.991 -13.799 -4.221 1.00 0.83 C ATOM 163 OH TYR A 11 -0.152 -13.930 -5.306 1.00 1.03 O ATOM 0 H TYR A 11 -2.258 -13.819 1.433 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.621 -11.526 -0.402 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.696 -14.341 -0.336 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.577 -13.076 -1.170 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.210 -14.691 -0.991 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -3.928 -12.416 -3.352 1.00 0.81 H new ATOM 0 HE1 TYR A 11 0.279 -14.924 -2.927 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -2.436 -12.644 -5.288 1.00 0.95 H new ATOM 0 HH TYR A 11 0.095 -13.042 -5.637 1.00 1.03 H new ATOM 173 N TYR A 12 -4.361 -10.477 0.917 1.00 0.37 N ATOM 174 CA TYR A 12 -5.387 -9.784 1.679 1.00 0.41 C ATOM 175 C TYR A 12 -6.535 -9.372 0.770 1.00 0.42 C ATOM 176 O TYR A 12 -6.415 -9.409 -0.457 1.00 0.45 O ATOM 177 CB TYR A 12 -4.798 -8.546 2.366 1.00 0.45 C ATOM 178 CG TYR A 12 -3.644 -8.850 3.299 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.867 -9.246 4.613 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.328 -8.742 2.863 1.00 0.70 C ATOM 181 CE1 TYR A 12 -2.813 -9.525 5.465 1.00 0.91 C ATOM 182 CE2 TYR A 12 -1.269 -9.018 3.709 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.516 -9.411 5.008 1.00 0.82 C ATOM 184 OH TYR A 12 -0.462 -9.681 5.854 1.00 1.02 O ATOM 0 H TYR A 12 -3.810 -9.871 0.309 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.766 -10.465 2.441 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.460 -7.846 1.602 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.586 -8.047 2.930 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.880 -9.337 4.975 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -2.129 -8.437 1.846 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -3.005 -9.831 6.483 1.00 0.91 H new ATOM 0 HE2 TYR A 12 -0.253 -8.926 3.354 1.00 0.82 H new ATOM 0 HH TYR A 12 0.383 -9.554 5.375 1.00 1.02 H new ATOM 194 N THR A 13 -7.646 -8.988 1.373 1.00 0.47 N ATOM 195 CA THR A 13 -8.816 -8.563 0.627 1.00 0.51 C ATOM 196 C THR A 13 -8.886 -7.040 0.548 1.00 0.47 C ATOM 197 O THR A 13 -8.262 -6.337 1.349 1.00 0.46 O ATOM 198 CB THR A 13 -10.094 -9.106 1.293 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.816 -9.453 2.658 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.618 -10.326 0.546 1.00 0.86 C ATOM 0 H THR A 13 -7.762 -8.962 2.386 1.00 0.47 H new ATOM 0 HA THR A 13 -8.737 -8.961 -0.385 1.00 0.51 H new ATOM 0 HB THR A 13 -10.859 -8.330 1.261 1.00 0.62 H new ATOM 0 HG1 THR A 13 -10.631 -9.797 3.081 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.521 -10.692 1.035 1.00 0.86 H new ATOM 0 HG22 THR A 13 -10.849 -10.051 -0.483 1.00 0.86 H new ATOM 0 HG23 THR A 13 -9.860 -11.109 0.551 1.00 0.86 H new ATOM 208 N LEU A 14 -9.643 -6.535 -0.420 1.00 0.50 N ATOM 209 CA LEU A 14 -9.799 -5.095 -0.603 1.00 0.51 C ATOM 210 C LEU A 14 -10.392 -4.449 0.647 1.00 0.48 C ATOM 211 O LEU A 14 -9.974 -3.370 1.062 1.00 0.51 O ATOM 212 CB LEU A 14 -10.691 -4.808 -1.813 1.00 0.58 C ATOM 213 CG LEU A 14 -10.872 -3.328 -2.164 1.00 0.73 C ATOM 214 CD1 LEU A 14 -9.580 -2.741 -2.714 1.00 1.00 C ATOM 215 CD2 LEU A 14 -12.008 -3.156 -3.160 1.00 0.95 C ATOM 0 H LEU A 14 -10.160 -7.102 -1.092 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.812 -4.666 -0.778 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -10.273 -5.320 -2.680 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.674 -5.242 -1.629 1.00 0.58 H new ATOM 0 HG LEU A 14 -11.127 -2.787 -1.253 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.732 -1.689 -2.956 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.792 -2.831 -1.966 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -9.289 -3.282 -3.614 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -12.125 -2.099 -3.400 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.781 -3.712 -4.070 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.933 -3.534 -2.725 1.00 0.95 H new ATOM 227 N GLU A 15 -11.351 -5.135 1.256 1.00 0.50 N ATOM 228 CA GLU A 15 -12.012 -4.642 2.460 1.00 0.53 C ATOM 229 C GLU A 15 -11.118 -4.793 3.695 1.00 0.51 C ATOM 230 O GLU A 15 -11.484 -4.376 4.792 1.00 0.61 O ATOM 231 CB GLU A 15 -13.346 -5.373 2.677 1.00 0.61 C ATOM 232 CG GLU A 15 -13.260 -6.888 2.528 1.00 0.67 C ATOM 233 CD GLU A 15 -13.499 -7.353 1.106 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.537 -7.365 0.309 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.650 -7.709 0.781 1.00 1.05 O ATOM 0 H GLU A 15 -11.691 -6.041 0.934 1.00 0.50 H new ATOM 0 HA GLU A 15 -12.208 -3.579 2.318 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.718 -5.138 3.674 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -14.077 -4.990 1.965 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.277 -7.225 2.855 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.993 -7.355 3.186 1.00 0.67 H new ATOM 242 N GLU A 16 -9.948 -5.388 3.508 1.00 0.46 N ATOM 243 CA GLU A 16 -9.002 -5.587 4.600 1.00 0.50 C ATOM 244 C GLU A 16 -7.932 -4.498 4.573 1.00 0.46 C ATOM 245 O GLU A 16 -7.661 -3.854 5.586 1.00 0.51 O ATOM 246 CB GLU A 16 -8.357 -6.979 4.494 1.00 0.58 C ATOM 247 CG GLU A 16 -7.114 -7.168 5.355 1.00 1.05 C ATOM 248 CD GLU A 16 -7.410 -7.137 6.840 1.00 1.60 C ATOM 249 OE1 GLU A 16 -8.187 -7.989 7.313 1.00 2.32 O ATOM 250 OE2 GLU A 16 -6.866 -6.259 7.542 1.00 2.19 O ATOM 0 H GLU A 16 -9.629 -5.743 2.607 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.537 -5.524 5.548 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.096 -7.730 4.775 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -8.094 -7.165 3.453 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -6.646 -8.120 5.104 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -6.393 -6.386 5.118 1.00 1.05 H new ATOM 257 N ILE A 17 -7.356 -4.271 3.396 1.00 0.42 N ATOM 258 CA ILE A 17 -6.300 -3.274 3.239 1.00 0.44 C ATOM 259 C ILE A 17 -6.790 -1.851 3.517 1.00 0.43 C ATOM 260 O ILE A 17 -6.084 -1.065 4.148 1.00 0.48 O ATOM 261 CB ILE A 17 -5.647 -3.338 1.837 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.699 -3.440 0.726 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.687 -4.514 1.758 1.00 0.58 C ATOM 264 CD1 ILE A 17 -7.074 -2.109 0.113 1.00 0.98 C ATOM 0 H ILE A 17 -7.602 -4.763 2.537 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.547 -3.524 3.986 1.00 0.44 H new ATOM 0 HB ILE A 17 -5.094 -2.411 1.687 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -6.323 -4.097 -0.058 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.596 -3.908 1.131 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -4.234 -4.548 0.767 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.906 -4.398 2.510 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.231 -5.441 1.940 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -7.822 -2.264 -0.664 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -7.482 -1.455 0.884 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -6.188 -1.647 -0.323 1.00 0.98 H new ATOM 276 N LYS A 18 -8.005 -1.526 3.079 1.00 0.42 N ATOM 277 CA LYS A 18 -8.543 -0.183 3.291 1.00 0.48 C ATOM 278 C LYS A 18 -9.230 -0.068 4.648 1.00 0.50 C ATOM 279 O LYS A 18 -9.954 0.890 4.914 1.00 0.63 O ATOM 280 CB LYS A 18 -9.500 0.211 2.160 1.00 0.56 C ATOM 281 CG LYS A 18 -10.810 -0.562 2.139 1.00 0.53 C ATOM 282 CD LYS A 18 -11.879 0.184 1.350 1.00 0.87 C ATOM 283 CE LYS A 18 -11.487 0.351 -0.115 1.00 1.05 C ATOM 284 NZ LYS A 18 -12.295 1.396 -0.799 1.00 1.48 N ATOM 0 H LYS A 18 -8.628 -2.163 2.582 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.704 0.513 3.283 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.723 1.275 2.245 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.993 0.066 1.206 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.648 -1.545 1.697 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -11.155 -0.725 3.160 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.823 -0.357 1.415 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -12.043 1.165 1.797 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.431 0.612 -0.179 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.613 -0.600 -0.633 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -11.993 1.474 -1.791 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -13.301 1.136 -0.762 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -12.156 2.310 -0.322 1.00 1.48 H new ATOM 298 N LYS A 19 -9.004 -1.057 5.495 1.00 0.47 N ATOM 299 CA LYS A 19 -9.571 -1.062 6.830 1.00 0.53 C ATOM 300 C LYS A 19 -8.455 -1.219 7.856 1.00 0.54 C ATOM 301 O LYS A 19 -8.685 -1.195 9.066 1.00 0.67 O ATOM 302 CB LYS A 19 -10.589 -2.196 6.979 1.00 0.60 C ATOM 303 CG LYS A 19 -11.530 -2.027 8.163 1.00 0.84 C ATOM 304 CD LYS A 19 -12.607 -0.989 7.884 1.00 1.09 C ATOM 305 CE LYS A 19 -13.731 -1.562 7.033 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.513 -2.590 7.766 1.00 1.68 N ATOM 0 H LYS A 19 -8.428 -1.871 5.279 1.00 0.47 H new ATOM 0 HA LYS A 19 -10.087 -0.117 6.999 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -11.179 -2.264 6.065 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -10.054 -3.140 7.084 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.998 -2.984 8.395 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -10.958 -1.731 9.042 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -13.014 -0.624 8.827 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -12.165 -0.133 7.375 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -14.395 -0.757 6.719 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -13.313 -2.002 6.128 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.447 -2.697 7.322 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -14.008 -3.499 7.734 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.632 -2.295 8.756 1.00 1.68 H new ATOM 320 N HIS A 20 -7.242 -1.388 7.358 1.00 0.55 N ATOM 321 CA HIS A 20 -6.084 -1.558 8.217 1.00 0.59 C ATOM 322 C HIS A 20 -5.188 -0.329 8.156 1.00 0.58 C ATOM 323 O HIS A 20 -4.261 -0.195 8.945 1.00 0.66 O ATOM 324 CB HIS A 20 -5.295 -2.798 7.800 1.00 0.68 C ATOM 325 CG HIS A 20 -4.858 -3.647 8.951 1.00 0.74 C ATOM 326 ND1 HIS A 20 -5.173 -4.984 9.064 1.00 0.90 N ATOM 327 CD2 HIS A 20 -4.114 -3.347 10.041 1.00 0.98 C ATOM 328 CE1 HIS A 20 -4.644 -5.468 10.172 1.00 1.07 C ATOM 329 NE2 HIS A 20 -3.999 -4.494 10.781 1.00 1.13 N ATOM 0 H HIS A 20 -7.034 -1.411 6.360 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.432 -1.686 9.242 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.908 -3.399 7.129 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -4.416 -2.486 7.236 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -5.729 -5.517 8.395 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -3.690 -2.383 10.282 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -4.726 -6.487 10.520 1.00 1.07 H new ATOM 338 N ASN A 21 -5.478 0.564 7.220 1.00 0.58 N ATOM 339 CA ASN A 21 -4.699 1.787 7.043 1.00 0.61 C ATOM 340 C ASN A 21 -4.868 2.718 8.243 1.00 0.60 C ATOM 341 O ASN A 21 -5.888 3.386 8.397 1.00 0.75 O ATOM 342 CB ASN A 21 -5.096 2.503 5.739 1.00 0.72 C ATOM 343 CG ASN A 21 -6.592 2.760 5.606 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.418 2.054 6.186 1.00 0.96 O ATOM 345 ND2 ASN A 21 -6.955 3.765 4.824 1.00 0.88 N ATOM 0 H ASN A 21 -6.254 0.465 6.565 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.647 1.510 6.974 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.568 3.455 5.683 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.764 1.904 4.891 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -7.944 3.974 4.688 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.246 4.331 4.358 1.00 0.88 H new ATOM 352 N HIS A 22 -3.864 2.736 9.107 1.00 0.64 N ATOM 353 CA HIS A 22 -3.893 3.573 10.301 1.00 0.76 C ATOM 354 C HIS A 22 -2.510 4.149 10.593 1.00 0.88 C ATOM 355 O HIS A 22 -1.606 4.065 9.758 1.00 1.61 O ATOM 356 CB HIS A 22 -4.404 2.769 11.507 1.00 0.83 C ATOM 357 CG HIS A 22 -5.891 2.556 11.507 1.00 0.87 C ATOM 358 ND1 HIS A 22 -6.793 3.544 11.838 1.00 1.32 N ATOM 359 CD2 HIS A 22 -6.635 1.466 11.188 1.00 1.17 C ATOM 360 CE1 HIS A 22 -8.021 3.076 11.725 1.00 1.29 C ATOM 361 NE2 HIS A 22 -7.954 1.820 11.332 1.00 1.09 N ATOM 0 H HIS A 22 -3.016 2.179 9.004 1.00 0.64 H new ATOM 0 HA HIS A 22 -4.577 4.402 10.120 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -3.907 1.799 11.522 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -4.120 3.286 12.423 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -6.260 0.502 10.879 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -8.928 3.629 11.921 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -8.753 1.209 11.162 1.00 1.09 H new ATOM 370 N SER A 23 -2.355 4.714 11.785 1.00 0.60 N ATOM 371 CA SER A 23 -1.103 5.325 12.211 1.00 0.62 C ATOM 372 C SER A 23 0.071 4.349 12.154 1.00 0.52 C ATOM 373 O SER A 23 1.083 4.626 11.515 1.00 0.62 O ATOM 374 CB SER A 23 -1.268 5.855 13.631 1.00 0.84 C ATOM 375 OG SER A 23 -2.316 5.169 14.300 1.00 1.32 O ATOM 0 H SER A 23 -3.096 4.761 12.484 1.00 0.60 H new ATOM 0 HA SER A 23 -0.875 6.138 11.522 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.335 5.732 14.182 1.00 0.84 H new ATOM 0 HB3 SER A 23 -1.484 6.923 13.604 1.00 0.84 H new ATOM 0 HG SER A 23 -2.408 5.520 15.210 1.00 1.32 H new ATOM 381 N LYS A 24 -0.066 3.213 12.823 1.00 0.51 N ATOM 382 CA LYS A 24 0.997 2.211 12.843 1.00 0.51 C ATOM 383 C LYS A 24 0.678 1.044 11.914 1.00 0.44 C ATOM 384 O LYS A 24 1.113 -0.085 12.137 1.00 0.45 O ATOM 385 CB LYS A 24 1.231 1.706 14.267 1.00 0.71 C ATOM 386 CG LYS A 24 -0.025 1.228 14.974 1.00 0.97 C ATOM 387 CD LYS A 24 -0.237 1.978 16.276 1.00 1.41 C ATOM 388 CE LYS A 24 -1.305 1.325 17.135 1.00 1.88 C ATOM 389 NZ LYS A 24 -1.417 1.975 18.465 1.00 2.36 N ATOM 0 H LYS A 24 -0.897 2.960 13.357 1.00 0.51 H new ATOM 0 HA LYS A 24 1.909 2.688 12.484 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.950 0.888 14.236 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.683 2.506 14.854 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -0.888 1.370 14.324 1.00 0.97 H new ATOM 0 HG3 LYS A 24 0.051 0.159 15.174 1.00 0.97 H new ATOM 0 HD2 LYS A 24 0.701 2.017 16.830 1.00 1.41 H new ATOM 0 HD3 LYS A 24 -0.523 3.007 16.060 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -2.266 1.378 16.623 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -1.071 0.268 17.265 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -2.156 1.501 19.022 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -0.508 1.903 18.964 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -1.666 2.977 18.342 1.00 2.36 H new ATOM 403 N SER A 25 -0.087 1.322 10.873 1.00 0.43 N ATOM 404 CA SER A 25 -0.460 0.305 9.903 1.00 0.42 C ATOM 405 C SER A 25 -0.769 0.962 8.565 1.00 0.42 C ATOM 406 O SER A 25 -1.735 0.616 7.888 1.00 0.50 O ATOM 407 CB SER A 25 -1.672 -0.490 10.399 1.00 0.48 C ATOM 408 OG SER A 25 -1.447 -1.023 11.696 1.00 0.83 O ATOM 0 H SER A 25 -0.464 2.249 10.676 1.00 0.43 H new ATOM 0 HA SER A 25 0.373 -0.386 9.777 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.550 0.156 10.417 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.887 -1.301 9.703 1.00 0.48 H new ATOM 0 HG SER A 25 -2.238 -1.523 11.986 1.00 0.83 H new ATOM 414 N THR A 26 0.052 1.933 8.202 1.00 0.42 N ATOM 415 CA THR A 26 -0.118 2.660 6.958 1.00 0.43 C ATOM 416 C THR A 26 0.335 1.823 5.763 1.00 0.36 C ATOM 417 O THR A 26 1.482 1.913 5.324 1.00 0.41 O ATOM 418 CB THR A 26 0.671 3.981 7.002 1.00 0.51 C ATOM 419 OG1 THR A 26 0.933 4.335 8.371 1.00 0.64 O ATOM 420 CG2 THR A 26 -0.100 5.102 6.323 1.00 0.56 C ATOM 0 H THR A 26 0.851 2.237 8.759 1.00 0.42 H new ATOM 0 HA THR A 26 -1.179 2.879 6.839 1.00 0.43 H new ATOM 0 HB THR A 26 1.610 3.841 6.467 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.094 4.325 8.878 1.00 0.64 H new ATOM 0 HG21 THR A 26 0.481 6.023 6.369 1.00 0.56 H new ATOM 0 HG22 THR A 26 -0.282 4.839 5.281 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.053 5.248 6.832 1.00 0.56 H new ATOM 428 N TRP A 27 -0.571 0.993 5.261 1.00 0.35 N ATOM 429 CA TRP A 27 -0.283 0.137 4.123 1.00 0.33 C ATOM 430 C TRP A 27 -0.663 0.836 2.827 1.00 0.32 C ATOM 431 O TRP A 27 -1.723 1.459 2.731 1.00 0.36 O ATOM 432 CB TRP A 27 -1.045 -1.184 4.245 1.00 0.38 C ATOM 433 CG TRP A 27 -0.519 -2.088 5.322 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.561 -1.863 6.131 1.00 0.43 C ATOM 435 CD2 TRP A 27 -1.048 -3.363 5.704 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.730 -2.914 6.995 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.244 -3.849 6.755 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.128 -4.138 5.269 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -0.480 -5.075 7.366 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -2.361 -5.356 5.878 1.00 0.68 C ATOM 441 CH2 TRP A 27 -1.543 -5.814 6.919 1.00 0.71 C ATOM 0 H TRP A 27 -1.517 0.896 5.629 1.00 0.35 H new ATOM 0 HA TRP A 27 0.787 -0.073 4.111 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -2.095 -0.970 4.444 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -1.001 -1.708 3.290 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.189 -0.985 6.094 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.462 -2.988 7.702 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -2.768 -3.791 4.472 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 0.153 -5.432 8.165 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -3.188 -5.966 5.546 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -1.755 -6.768 7.378 1.00 0.71 H new ATOM 452 N LEU A 28 0.207 0.734 1.842 1.00 0.32 N ATOM 453 CA LEU A 28 -0.027 1.354 0.550 1.00 0.33 C ATOM 454 C LEU A 28 0.010 0.296 -0.542 1.00 0.32 C ATOM 455 O LEU A 28 0.744 -0.689 -0.432 1.00 0.32 O ATOM 456 CB LEU A 28 1.027 2.427 0.284 1.00 0.36 C ATOM 457 CG LEU A 28 0.485 3.778 -0.179 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.493 4.879 0.108 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.153 3.741 -1.661 1.00 0.99 C ATOM 0 H LEU A 28 1.088 0.225 1.911 1.00 0.32 H new ATOM 0 HA LEU A 28 -1.010 1.826 0.553 1.00 0.33 H new ATOM 0 HB2 LEU A 28 1.604 2.579 1.196 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.718 2.054 -0.472 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.430 3.989 0.375 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.092 5.836 -0.228 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.688 4.923 1.179 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.422 4.669 -0.422 1.00 0.85 H new ATOM 0 HD21 LEU A 28 -0.232 4.712 -1.972 1.00 0.99 H new ATOM 0 HD22 LEU A 28 1.053 3.508 -2.230 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.601 2.976 -1.846 1.00 0.99 H new ATOM 471 N ILE A 29 -0.785 0.488 -1.583 1.00 0.35 N ATOM 472 CA ILE A 29 -0.826 -0.456 -2.685 1.00 0.36 C ATOM 473 C ILE A 29 -0.065 0.088 -3.888 1.00 0.36 C ATOM 474 O ILE A 29 -0.379 1.159 -4.409 1.00 0.39 O ATOM 475 CB ILE A 29 -2.273 -0.795 -3.096 1.00 0.42 C ATOM 476 CG1 ILE A 29 -3.065 -1.315 -1.897 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.282 -1.822 -4.218 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.539 -1.494 -2.180 1.00 0.80 C ATOM 0 H ILE A 29 -1.409 1.288 -1.686 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.348 -1.373 -2.340 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.748 0.118 -3.456 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.645 -2.270 -1.581 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -2.945 -0.622 -1.064 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.311 -2.049 -4.495 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.754 -1.421 -5.083 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.787 -2.733 -3.881 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -5.039 -1.865 -1.285 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -4.973 -0.536 -2.467 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.669 -2.209 -2.992 1.00 0.80 H new ATOM 490 N LEU A 30 0.957 -0.647 -4.296 1.00 0.34 N ATOM 491 CA LEU A 30 1.776 -0.277 -5.437 1.00 0.37 C ATOM 492 C LEU A 30 1.890 -1.471 -6.372 1.00 0.38 C ATOM 493 O LEU A 30 2.379 -2.527 -5.973 1.00 0.38 O ATOM 494 CB LEU A 30 3.166 0.176 -4.981 1.00 0.38 C ATOM 495 CG LEU A 30 3.189 1.458 -4.143 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.553 1.655 -3.497 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.825 2.663 -4.998 1.00 0.48 C ATOM 0 H LEU A 30 1.241 -1.517 -3.845 1.00 0.34 H new ATOM 0 HA LEU A 30 1.307 0.556 -5.961 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.621 -0.627 -4.401 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.790 0.325 -5.862 1.00 0.38 H new ATOM 0 HG LEU A 30 2.446 1.360 -3.351 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.547 2.571 -2.907 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.774 0.807 -2.849 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.316 1.728 -4.272 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.847 3.564 -4.385 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.542 2.761 -5.813 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.825 2.528 -5.410 1.00 0.48 H new ATOM 509 N HIS A 31 1.412 -1.305 -7.602 1.00 0.41 N ATOM 510 CA HIS A 31 1.430 -2.369 -8.607 1.00 0.43 C ATOM 511 C HIS A 31 0.477 -3.483 -8.189 1.00 0.42 C ATOM 512 O HIS A 31 0.695 -4.653 -8.505 1.00 0.45 O ATOM 513 CB HIS A 31 2.848 -2.928 -8.826 1.00 0.47 C ATOM 514 CG HIS A 31 3.721 -2.061 -9.679 1.00 0.66 C ATOM 515 ND1 HIS A 31 4.066 -2.384 -10.974 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.331 -0.882 -9.411 1.00 1.10 C ATOM 517 CE1 HIS A 31 4.849 -1.440 -11.466 1.00 1.22 C ATOM 518 NE2 HIS A 31 5.024 -0.521 -10.538 1.00 1.18 N ATOM 0 H HIS A 31 1.001 -0.431 -7.932 1.00 0.41 H new ATOM 0 HA HIS A 31 1.102 -1.944 -9.555 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.327 -3.065 -7.856 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.772 -3.913 -9.286 1.00 0.47 H new ATOM 0 HD2 HIS A 31 4.281 -0.330 -8.484 1.00 1.10 H new ATOM 0 HE1 HIS A 31 5.273 -1.424 -12.459 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.585 0.324 -10.641 1.00 1.18 H new ATOM 527 N HIS A 32 -0.586 -3.089 -7.478 1.00 0.42 N ATOM 528 CA HIS A 32 -1.611 -4.015 -6.983 1.00 0.44 C ATOM 529 C HIS A 32 -1.061 -4.931 -5.886 1.00 0.40 C ATOM 530 O HIS A 32 -1.593 -6.016 -5.639 1.00 0.44 O ATOM 531 CB HIS A 32 -2.210 -4.844 -8.127 1.00 0.52 C ATOM 532 CG HIS A 32 -2.926 -4.020 -9.154 1.00 0.68 C ATOM 533 ND1 HIS A 32 -2.820 -4.249 -10.508 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.762 -2.960 -9.021 1.00 0.85 C ATOM 535 CE1 HIS A 32 -3.556 -3.370 -11.162 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.140 -2.580 -10.286 1.00 0.97 N ATOM 0 H HIS A 32 -0.760 -2.115 -7.229 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.406 -3.411 -6.546 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.412 -5.404 -8.615 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.904 -5.574 -7.711 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.072 -2.501 -8.094 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -3.661 -3.309 -12.235 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -4.771 -1.810 -10.510 1.00 0.97 H new ATOM 545 N LYS A 33 -0.002 -4.473 -5.227 1.00 0.37 N ATOM 546 CA LYS A 33 0.622 -5.221 -4.144 1.00 0.37 C ATOM 547 C LYS A 33 0.608 -4.380 -2.873 1.00 0.33 C ATOM 548 O LYS A 33 0.606 -3.150 -2.939 1.00 0.36 O ATOM 549 CB LYS A 33 2.053 -5.611 -4.520 1.00 0.40 C ATOM 550 CG LYS A 33 2.140 -6.460 -5.778 1.00 0.57 C ATOM 551 CD LYS A 33 3.577 -6.854 -6.085 1.00 0.79 C ATOM 552 CE LYS A 33 3.675 -7.634 -7.382 1.00 0.94 C ATOM 553 NZ LYS A 33 5.074 -8.042 -7.680 1.00 1.02 N ATOM 0 H LYS A 33 0.445 -3.578 -5.428 1.00 0.37 H new ATOM 0 HA LYS A 33 0.059 -6.138 -3.968 1.00 0.37 H new ATOM 0 HB2 LYS A 33 2.643 -4.705 -4.661 1.00 0.40 H new ATOM 0 HB3 LYS A 33 2.502 -6.158 -3.691 1.00 0.40 H new ATOM 0 HG2 LYS A 33 1.534 -7.357 -5.655 1.00 0.57 H new ATOM 0 HG3 LYS A 33 1.725 -5.907 -6.621 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.195 -5.958 -6.150 1.00 0.79 H new ATOM 0 HD3 LYS A 33 3.973 -7.455 -5.267 1.00 0.79 H new ATOM 0 HE2 LYS A 33 3.044 -8.520 -7.321 1.00 0.94 H new ATOM 0 HE3 LYS A 33 3.292 -7.026 -8.201 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 5.098 -8.573 -8.574 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 5.672 -7.195 -7.764 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 5.431 -8.644 -6.911 1.00 1.02 H new ATOM 567 N VAL A 34 0.614 -5.037 -1.721 1.00 0.30 N ATOM 568 CA VAL A 34 0.556 -4.337 -0.441 1.00 0.30 C ATOM 569 C VAL A 34 1.945 -4.140 0.161 1.00 0.27 C ATOM 570 O VAL A 34 2.710 -5.095 0.322 1.00 0.28 O ATOM 571 CB VAL A 34 -0.325 -5.088 0.581 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.862 -4.128 1.634 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.465 -5.816 -0.112 1.00 0.35 C ATOM 0 H VAL A 34 0.658 -6.053 -1.645 1.00 0.30 H new ATOM 0 HA VAL A 34 0.115 -3.363 -0.650 1.00 0.30 H new ATOM 0 HB VAL A 34 0.296 -5.833 1.079 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.480 -4.676 2.345 1.00 0.36 H new ATOM 0 HG12 VAL A 34 -0.029 -3.663 2.161 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -1.462 -3.357 1.151 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.069 -6.336 0.631 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -2.086 -5.096 -0.645 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.058 -6.539 -0.820 1.00 0.35 H new ATOM 583 N TYR A 35 2.261 -2.897 0.504 1.00 0.28 N ATOM 584 CA TYR A 35 3.553 -2.563 1.093 1.00 0.28 C ATOM 585 C TYR A 35 3.372 -1.914 2.464 1.00 0.30 C ATOM 586 O TYR A 35 2.515 -1.044 2.635 1.00 0.32 O ATOM 587 CB TYR A 35 4.333 -1.621 0.172 1.00 0.31 C ATOM 588 CG TYR A 35 4.772 -2.262 -1.128 1.00 0.31 C ATOM 589 CD1 TYR A 35 3.939 -2.264 -2.241 1.00 0.43 C ATOM 590 CD2 TYR A 35 6.016 -2.868 -1.241 1.00 0.35 C ATOM 591 CE1 TYR A 35 4.334 -2.852 -3.424 1.00 0.47 C ATOM 592 CE2 TYR A 35 6.419 -3.457 -2.426 1.00 0.40 C ATOM 593 CZ TYR A 35 5.573 -3.444 -3.513 1.00 0.41 C ATOM 594 OH TYR A 35 5.968 -4.028 -4.696 1.00 0.48 O ATOM 0 H TYR A 35 1.637 -2.099 0.384 1.00 0.28 H new ATOM 0 HA TYR A 35 4.117 -3.488 1.216 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.714 -0.753 -0.053 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.213 -1.256 0.702 1.00 0.31 H new ATOM 0 HD1 TYR A 35 2.967 -1.798 -2.178 1.00 0.43 H new ATOM 0 HD2 TYR A 35 6.680 -2.880 -0.389 1.00 0.35 H new ATOM 0 HE1 TYR A 35 3.673 -2.848 -4.278 1.00 0.47 H new ATOM 0 HE2 TYR A 35 7.390 -3.924 -2.498 1.00 0.40 H new ATOM 0 HH TYR A 35 6.869 -4.400 -4.593 1.00 0.48 H new ATOM 604 N ASP A 36 4.178 -2.347 3.430 1.00 0.32 N ATOM 605 CA ASP A 36 4.126 -1.813 4.791 1.00 0.36 C ATOM 606 C ASP A 36 5.211 -0.761 4.976 1.00 0.38 C ATOM 607 O ASP A 36 6.377 -1.084 5.204 1.00 0.50 O ATOM 608 CB ASP A 36 4.312 -2.938 5.817 1.00 0.43 C ATOM 609 CG ASP A 36 4.243 -2.455 7.260 1.00 0.57 C ATOM 610 OD1 ASP A 36 3.801 -1.308 7.499 1.00 0.90 O ATOM 611 OD2 ASP A 36 4.617 -3.237 8.168 1.00 1.28 O ATOM 0 H ASP A 36 4.882 -3.073 3.295 1.00 0.32 H new ATOM 0 HA ASP A 36 3.149 -1.355 4.948 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.545 -3.696 5.658 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.275 -3.419 5.648 1.00 0.43 H new ATOM 616 N LEU A 37 4.822 0.495 4.866 1.00 0.37 N ATOM 617 CA LEU A 37 5.757 1.602 5.011 1.00 0.43 C ATOM 618 C LEU A 37 5.263 2.557 6.091 1.00 0.37 C ATOM 619 O LEU A 37 5.562 3.752 6.072 1.00 0.40 O ATOM 620 CB LEU A 37 5.925 2.339 3.670 1.00 0.56 C ATOM 621 CG LEU A 37 4.749 3.225 3.249 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.221 4.306 2.290 1.00 0.86 C ATOM 623 CD2 LEU A 37 3.652 2.397 2.609 1.00 0.80 C ATOM 0 H LEU A 37 3.861 0.778 4.676 1.00 0.37 H new ATOM 0 HA LEU A 37 6.730 1.210 5.308 1.00 0.43 H new ATOM 0 HB2 LEU A 37 6.821 2.958 3.726 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.097 1.599 2.888 1.00 0.56 H new ATOM 0 HG LEU A 37 4.342 3.700 4.142 1.00 0.66 H new ATOM 0 HD11 LEU A 37 4.375 4.929 1.999 1.00 0.86 H new ATOM 0 HD12 LEU A 37 5.974 4.923 2.780 1.00 0.86 H new ATOM 0 HD13 LEU A 37 5.653 3.842 1.403 1.00 0.86 H new ATOM 0 HD21 LEU A 37 2.827 3.048 2.318 1.00 0.80 H new ATOM 0 HD22 LEU A 37 4.045 1.893 1.726 1.00 0.80 H new ATOM 0 HD23 LEU A 37 3.294 1.654 3.322 1.00 0.80 H new ATOM 635 N THR A 38 4.538 2.003 7.054 1.00 0.34 N ATOM 636 CA THR A 38 3.962 2.777 8.144 1.00 0.36 C ATOM 637 C THR A 38 5.014 3.589 8.919 1.00 0.38 C ATOM 638 O THR A 38 4.709 4.657 9.451 1.00 0.44 O ATOM 639 CB THR A 38 3.178 1.858 9.110 1.00 0.41 C ATOM 640 OG1 THR A 38 2.383 2.643 10.004 1.00 0.48 O ATOM 641 CG2 THR A 38 4.110 0.965 9.915 1.00 0.48 C ATOM 0 H THR A 38 4.333 1.005 7.101 1.00 0.34 H new ATOM 0 HA THR A 38 3.277 3.493 7.690 1.00 0.36 H new ATOM 0 HB THR A 38 2.533 1.222 8.504 1.00 0.41 H new ATOM 0 HG1 THR A 38 1.948 3.366 9.506 1.00 0.48 H new ATOM 0 HG21 THR A 38 3.523 0.334 10.582 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.688 0.337 9.237 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.788 1.583 10.504 1.00 0.48 H new ATOM 649 N LYS A 39 6.249 3.104 8.966 1.00 0.39 N ATOM 650 CA LYS A 39 7.306 3.813 9.679 1.00 0.47 C ATOM 651 C LYS A 39 8.328 4.390 8.703 1.00 0.47 C ATOM 652 O LYS A 39 9.454 4.717 9.079 1.00 0.59 O ATOM 653 CB LYS A 39 7.991 2.892 10.697 1.00 0.56 C ATOM 654 CG LYS A 39 7.178 2.683 11.967 1.00 0.75 C ATOM 655 CD LYS A 39 7.069 3.964 12.781 1.00 0.92 C ATOM 656 CE LYS A 39 6.107 3.808 13.951 1.00 1.27 C ATOM 657 NZ LYS A 39 5.937 5.082 14.702 1.00 1.50 N ATOM 0 H LYS A 39 6.542 2.232 8.524 1.00 0.39 H new ATOM 0 HA LYS A 39 6.849 4.640 10.222 1.00 0.47 H new ATOM 0 HB2 LYS A 39 8.179 1.924 10.232 1.00 0.56 H new ATOM 0 HB3 LYS A 39 8.961 3.313 10.961 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.180 2.331 11.707 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.642 1.905 12.573 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.054 4.243 13.155 1.00 0.92 H new ATOM 0 HD3 LYS A 39 6.731 4.776 12.138 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.138 3.472 13.582 1.00 1.27 H new ATOM 0 HE3 LYS A 39 6.477 3.036 14.625 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 5.275 4.935 15.490 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 6.857 5.390 15.076 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 5.560 5.813 14.065 1.00 1.50 H new ATOM 671 N PHE A 40 7.918 4.525 7.451 1.00 0.40 N ATOM 672 CA PHE A 40 8.788 5.058 6.411 1.00 0.44 C ATOM 673 C PHE A 40 8.177 6.320 5.806 1.00 0.40 C ATOM 674 O PHE A 40 8.776 6.965 4.949 1.00 0.42 O ATOM 675 CB PHE A 40 9.023 3.995 5.329 1.00 0.52 C ATOM 676 CG PHE A 40 10.053 4.366 4.299 1.00 1.16 C ATOM 677 CD1 PHE A 40 11.397 4.410 4.629 1.00 1.66 C ATOM 678 CD2 PHE A 40 9.675 4.665 2.999 1.00 1.77 C ATOM 679 CE1 PHE A 40 12.346 4.746 3.684 1.00 2.39 C ATOM 680 CE2 PHE A 40 10.619 5.003 2.049 1.00 2.45 C ATOM 681 CZ PHE A 40 11.957 5.044 2.393 1.00 2.68 C ATOM 0 H PHE A 40 6.984 4.272 7.128 1.00 0.40 H new ATOM 0 HA PHE A 40 9.749 5.322 6.852 1.00 0.44 H new ATOM 0 HB2 PHE A 40 9.329 3.066 5.811 1.00 0.52 H new ATOM 0 HB3 PHE A 40 8.078 3.796 4.823 1.00 0.52 H new ATOM 0 HD1 PHE A 40 11.707 4.179 5.637 1.00 1.66 H new ATOM 0 HD2 PHE A 40 8.631 4.633 2.726 1.00 1.77 H new ATOM 0 HE1 PHE A 40 13.391 4.776 3.954 1.00 2.39 H new ATOM 0 HE2 PHE A 40 10.312 5.235 1.040 1.00 2.45 H new ATOM 0 HZ PHE A 40 12.698 5.309 1.653 1.00 2.68 H new ATOM 691 N LEU A 41 6.994 6.689 6.288 1.00 0.39 N ATOM 692 CA LEU A 41 6.296 7.873 5.790 1.00 0.43 C ATOM 693 C LEU A 41 7.120 9.132 6.035 1.00 0.44 C ATOM 694 O LEU A 41 7.224 10.001 5.172 1.00 0.47 O ATOM 695 CB LEU A 41 4.932 8.025 6.471 1.00 0.49 C ATOM 696 CG LEU A 41 4.092 6.750 6.568 1.00 0.48 C ATOM 697 CD1 LEU A 41 2.963 6.939 7.569 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.538 6.364 5.206 1.00 0.59 C ATOM 0 H LEU A 41 6.497 6.186 7.023 1.00 0.39 H new ATOM 0 HA LEU A 41 6.151 7.742 4.718 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.090 8.411 7.478 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.358 8.776 5.929 1.00 0.49 H new ATOM 0 HG LEU A 41 4.734 5.940 6.914 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.373 6.025 7.629 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.381 7.166 8.550 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.325 7.762 7.247 1.00 0.55 H new ATOM 0 HD21 LEU A 41 2.944 5.455 5.299 1.00 0.59 H new ATOM 0 HD22 LEU A 41 2.910 7.170 4.827 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.362 6.190 4.514 1.00 0.59 H new ATOM 710 N GLU A 42 7.705 9.216 7.217 1.00 0.49 N ATOM 711 CA GLU A 42 8.508 10.368 7.595 1.00 0.56 C ATOM 712 C GLU A 42 9.917 10.302 7.007 1.00 0.54 C ATOM 713 O GLU A 42 10.622 11.312 6.942 1.00 0.66 O ATOM 714 CB GLU A 42 8.583 10.458 9.114 1.00 0.67 C ATOM 715 CG GLU A 42 9.241 9.251 9.760 1.00 0.72 C ATOM 716 CD GLU A 42 9.147 9.279 11.267 1.00 0.93 C ATOM 717 OE1 GLU A 42 9.887 10.062 11.902 1.00 1.50 O ATOM 718 OE2 GLU A 42 8.335 8.516 11.829 1.00 1.40 O ATOM 0 H GLU A 42 7.639 8.496 7.936 1.00 0.49 H new ATOM 0 HA GLU A 42 8.027 11.259 7.191 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.137 11.355 9.390 1.00 0.67 H new ATOM 0 HB3 GLU A 42 7.575 10.570 9.514 1.00 0.67 H new ATOM 0 HG2 GLU A 42 8.771 8.341 9.387 1.00 0.72 H new ATOM 0 HG3 GLU A 42 10.290 9.212 9.465 1.00 0.72 H new ATOM 725 N GLU A 43 10.320 9.112 6.580 1.00 0.48 N ATOM 726 CA GLU A 43 11.646 8.907 6.006 1.00 0.50 C ATOM 727 C GLU A 43 11.584 8.982 4.488 1.00 0.43 C ATOM 728 O GLU A 43 12.529 8.615 3.792 1.00 0.54 O ATOM 729 CB GLU A 43 12.220 7.557 6.448 1.00 0.58 C ATOM 730 CG GLU A 43 12.379 7.435 7.956 1.00 0.76 C ATOM 731 CD GLU A 43 13.090 6.164 8.377 1.00 0.96 C ATOM 732 OE1 GLU A 43 13.223 5.237 7.552 1.00 1.56 O ATOM 733 OE2 GLU A 43 13.519 6.084 9.549 1.00 1.46 O ATOM 0 H GLU A 43 9.746 8.270 6.620 1.00 0.48 H new ATOM 0 HA GLU A 43 12.303 9.698 6.368 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.568 6.759 6.093 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.191 7.410 5.974 1.00 0.58 H new ATOM 0 HG2 GLU A 43 12.935 8.296 8.328 1.00 0.76 H new ATOM 0 HG3 GLU A 43 11.395 7.466 8.423 1.00 0.76 H new ATOM 740 N HIS A 44 10.461 9.466 3.983 1.00 0.43 N ATOM 741 CA HIS A 44 10.260 9.599 2.553 1.00 0.39 C ATOM 742 C HIS A 44 10.596 11.017 2.097 1.00 0.43 C ATOM 743 O HIS A 44 9.940 11.977 2.515 1.00 0.51 O ATOM 744 CB HIS A 44 8.810 9.258 2.205 1.00 0.41 C ATOM 745 CG HIS A 44 8.486 9.365 0.746 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.525 10.211 0.230 1.00 0.42 N ATOM 747 CD2 HIS A 44 9.010 8.702 -0.316 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.495 10.036 -1.096 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.379 9.134 -1.477 1.00 0.41 N ATOM 0 H HIS A 44 9.670 9.775 4.549 1.00 0.43 H new ATOM 0 HA HIS A 44 10.924 8.907 2.035 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.597 8.243 2.539 1.00 0.41 H new ATOM 0 HB3 HIS A 44 8.149 9.922 2.762 1.00 0.41 H new ATOM 0 HD1 HIS A 44 6.942 10.855 0.764 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.792 7.958 -0.267 1.00 0.41 H new ATOM 0 HE1 HIS A 44 6.834 10.564 -1.767 1.00 0.40 H new ATOM 757 N PRO A 45 11.622 11.163 1.233 1.00 0.44 N ATOM 758 CA PRO A 45 12.050 12.468 0.716 1.00 0.53 C ATOM 759 C PRO A 45 11.024 13.079 -0.234 1.00 0.62 C ATOM 760 O PRO A 45 11.165 13.021 -1.456 1.00 1.11 O ATOM 761 CB PRO A 45 13.357 12.150 -0.020 1.00 0.58 C ATOM 762 CG PRO A 45 13.247 10.715 -0.396 1.00 0.56 C ATOM 763 CD PRO A 45 12.451 10.062 0.698 1.00 0.44 C ATOM 0 HA PRO A 45 12.168 13.205 1.510 1.00 0.53 H new ATOM 0 HB2 PRO A 45 13.478 12.781 -0.901 1.00 0.58 H new ATOM 0 HB3 PRO A 45 14.223 12.326 0.619 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.752 10.601 -1.360 1.00 0.56 H new ATOM 0 HG3 PRO A 45 14.233 10.259 -0.488 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.836 9.248 0.315 1.00 0.44 H new ATOM 0 HD3 PRO A 45 13.098 9.638 1.466 1.00 0.44 H new ATOM 771 N GLY A 46 9.991 13.664 0.344 1.00 0.75 N ATOM 772 CA GLY A 46 8.942 14.273 -0.440 1.00 0.82 C ATOM 773 C GLY A 46 7.771 14.678 0.423 1.00 0.83 C ATOM 774 O GLY A 46 7.005 15.567 0.061 1.00 1.38 O ATOM 0 H GLY A 46 9.859 13.728 1.353 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.334 15.149 -0.957 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.606 13.574 -1.206 1.00 0.82 H new ATOM 778 N GLY A 47 7.630 14.023 1.567 1.00 0.66 N ATOM 779 CA GLY A 47 6.548 14.350 2.466 1.00 0.67 C ATOM 780 C GLY A 47 5.723 13.138 2.840 1.00 0.60 C ATOM 781 O GLY A 47 5.681 12.155 2.095 1.00 0.64 O ATOM 0 H GLY A 47 8.245 13.274 1.886 1.00 0.66 H new ATOM 0 HA2 GLY A 47 6.955 14.802 3.370 1.00 0.67 H new ATOM 0 HA3 GLY A 47 5.904 15.095 1.999 1.00 0.67 H new ATOM 785 N GLU A 48 5.063 13.209 3.990 1.00 0.61 N ATOM 786 CA GLU A 48 4.233 12.113 4.475 1.00 0.63 C ATOM 787 C GLU A 48 2.770 12.353 4.115 1.00 0.63 C ATOM 788 O GLU A 48 1.956 11.426 4.117 1.00 0.65 O ATOM 789 CB GLU A 48 4.380 11.964 5.992 1.00 0.76 C ATOM 790 CG GLU A 48 4.095 13.243 6.764 1.00 0.95 C ATOM 791 CD GLU A 48 4.389 13.107 8.241 1.00 1.21 C ATOM 792 OE1 GLU A 48 3.533 12.569 8.974 1.00 1.79 O ATOM 793 OE2 GLU A 48 5.474 13.547 8.677 1.00 1.86 O ATOM 0 H GLU A 48 5.087 14.020 4.608 1.00 0.61 H new ATOM 0 HA GLU A 48 4.566 11.192 3.996 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.703 11.183 6.338 1.00 0.76 H new ATOM 0 HB3 GLU A 48 5.393 11.632 6.219 1.00 0.76 H new ATOM 0 HG2 GLU A 48 4.695 14.054 6.351 1.00 0.95 H new ATOM 0 HG3 GLU A 48 3.049 13.519 6.629 1.00 0.95 H new ATOM 800 N GLU A 49 2.452 13.605 3.797 1.00 0.66 N ATOM 801 CA GLU A 49 1.093 13.997 3.435 1.00 0.74 C ATOM 802 C GLU A 49 0.585 13.189 2.243 1.00 0.68 C ATOM 803 O GLU A 49 -0.515 12.640 2.273 1.00 0.72 O ATOM 804 CB GLU A 49 1.051 15.488 3.094 1.00 0.86 C ATOM 805 CG GLU A 49 -0.096 16.231 3.754 1.00 1.10 C ATOM 806 CD GLU A 49 0.287 16.835 5.089 1.00 1.32 C ATOM 807 OE1 GLU A 49 0.904 17.923 5.097 1.00 1.81 O ATOM 808 OE2 GLU A 49 -0.030 16.231 6.131 1.00 1.69 O ATOM 0 H GLU A 49 3.124 14.372 3.783 1.00 0.66 H new ATOM 0 HA GLU A 49 0.447 13.797 4.290 1.00 0.74 H new ATOM 0 HB2 GLU A 49 1.992 15.948 3.396 1.00 0.86 H new ATOM 0 HB3 GLU A 49 0.973 15.603 2.013 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -0.441 17.022 3.088 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -0.932 15.546 3.897 1.00 1.10 H new ATOM 815 N VAL A 50 1.410 13.103 1.207 1.00 0.63 N ATOM 816 CA VAL A 50 1.050 12.378 -0.009 1.00 0.60 C ATOM 817 C VAL A 50 0.931 10.874 0.228 1.00 0.54 C ATOM 818 O VAL A 50 0.284 10.171 -0.539 1.00 0.54 O ATOM 819 CB VAL A 50 2.078 12.623 -1.139 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.032 14.072 -1.595 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.484 12.242 -0.687 1.00 0.62 C ATOM 0 H VAL A 50 2.337 13.528 1.183 1.00 0.63 H new ATOM 0 HA VAL A 50 0.076 12.764 -0.310 1.00 0.60 H new ATOM 0 HB VAL A 50 1.814 11.988 -1.985 1.00 0.64 H new ATOM 0 HG11 VAL A 50 2.761 14.227 -2.390 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.034 14.305 -1.967 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.267 14.725 -0.755 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.189 12.423 -1.499 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.764 12.844 0.178 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.506 11.186 -0.417 1.00 0.62 H new ATOM 831 N LEU A 51 1.543 10.386 1.298 1.00 0.52 N ATOM 832 CA LEU A 51 1.508 8.962 1.605 1.00 0.50 C ATOM 833 C LEU A 51 0.320 8.605 2.490 1.00 0.53 C ATOM 834 O LEU A 51 -0.335 7.586 2.279 1.00 0.55 O ATOM 835 CB LEU A 51 2.805 8.536 2.294 1.00 0.48 C ATOM 836 CG LEU A 51 4.079 8.712 1.462 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.302 8.322 2.274 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.012 7.890 0.182 1.00 0.47 C ATOM 0 H LEU A 51 2.067 10.952 1.965 1.00 0.52 H new ATOM 0 HA LEU A 51 1.402 8.428 0.661 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.912 9.108 3.216 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.718 7.487 2.578 1.00 0.48 H new ATOM 0 HG LEU A 51 4.160 9.764 1.188 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.198 8.453 1.668 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.367 8.954 3.160 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.219 7.279 2.578 1.00 0.49 H new ATOM 0 HD21 LEU A 51 4.929 8.033 -0.390 1.00 0.47 H new ATOM 0 HD22 LEU A 51 3.901 6.835 0.432 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.158 8.213 -0.414 1.00 0.47 H new ATOM 850 N ARG A 52 0.038 9.450 3.478 1.00 0.59 N ATOM 851 CA ARG A 52 -1.061 9.202 4.411 1.00 0.66 C ATOM 852 C ARG A 52 -2.424 9.175 3.717 1.00 0.65 C ATOM 853 O ARG A 52 -3.338 8.487 4.171 1.00 0.69 O ATOM 854 CB ARG A 52 -1.064 10.250 5.531 1.00 0.79 C ATOM 855 CG ARG A 52 -1.549 11.624 5.094 1.00 0.97 C ATOM 856 CD ARG A 52 -2.918 11.951 5.675 1.00 1.22 C ATOM 857 NE ARG A 52 -2.838 12.308 7.092 1.00 1.50 N ATOM 858 CZ ARG A 52 -2.392 13.482 7.534 1.00 1.90 C ATOM 859 NH1 ARG A 52 -2.044 14.430 6.672 1.00 2.00 N ATOM 860 NH2 ARG A 52 -2.308 13.708 8.841 1.00 2.61 N ATOM 0 H ARG A 52 0.554 10.312 3.654 1.00 0.59 H new ATOM 0 HA ARG A 52 -0.893 8.214 4.839 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -1.697 9.895 6.345 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.054 10.343 5.930 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -0.830 12.380 5.409 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -1.597 11.664 4.006 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -3.362 12.776 5.117 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -3.578 11.092 5.554 1.00 1.22 H new ATOM 0 HE ARG A 52 -3.141 11.618 7.780 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.118 14.260 5.669 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -1.703 15.329 7.013 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -2.585 12.983 9.503 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -1.967 14.607 9.182 1.00 2.61 H new ATOM 874 N GLU A 53 -2.569 9.912 2.622 1.00 0.64 N ATOM 875 CA GLU A 53 -3.845 9.951 1.916 1.00 0.68 C ATOM 876 C GLU A 53 -3.932 8.876 0.836 1.00 0.65 C ATOM 877 O GLU A 53 -4.961 8.732 0.173 1.00 0.78 O ATOM 878 CB GLU A 53 -4.092 11.335 1.318 1.00 0.72 C ATOM 879 CG GLU A 53 -3.033 11.790 0.335 1.00 0.67 C ATOM 880 CD GLU A 53 -3.460 13.032 -0.408 1.00 0.81 C ATOM 881 OE1 GLU A 53 -3.201 14.145 0.092 1.00 1.26 O ATOM 882 OE2 GLU A 53 -4.079 12.901 -1.487 1.00 1.35 O ATOM 0 H GLU A 53 -1.832 10.483 2.208 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.626 9.743 2.648 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -5.060 11.333 0.816 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -4.155 12.062 2.128 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -2.102 11.986 0.867 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.830 10.991 -0.378 1.00 0.67 H new ATOM 889 N GLN A 54 -2.850 8.138 0.646 1.00 0.57 N ATOM 890 CA GLN A 54 -2.827 7.063 -0.336 1.00 0.58 C ATOM 891 C GLN A 54 -2.853 5.727 0.388 1.00 0.57 C ATOM 892 O GLN A 54 -2.839 4.660 -0.228 1.00 0.60 O ATOM 893 CB GLN A 54 -1.591 7.162 -1.229 1.00 0.57 C ATOM 894 CG GLN A 54 -1.615 8.355 -2.177 1.00 0.64 C ATOM 895 CD GLN A 54 -2.724 8.266 -3.210 1.00 0.81 C ATOM 896 OE1 GLN A 54 -3.133 7.177 -3.609 1.00 1.13 O ATOM 897 NE2 GLN A 54 -3.219 9.413 -3.651 1.00 0.96 N ATOM 0 H GLN A 54 -1.976 8.263 1.158 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.705 7.149 -0.977 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.703 7.227 -0.600 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.501 6.246 -1.813 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.737 9.270 -1.598 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.655 8.426 -2.687 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -2.853 10.296 -3.296 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -3.966 9.413 -4.346 1.00 0.96 H new ATOM 906 N ALA A 55 -2.891 5.808 1.713 1.00 0.58 N ATOM 907 CA ALA A 55 -2.926 4.630 2.558 1.00 0.60 C ATOM 908 C ALA A 55 -4.243 3.891 2.380 1.00 0.61 C ATOM 909 O ALA A 55 -5.314 4.462 2.584 1.00 0.68 O ATOM 910 CB ALA A 55 -2.729 5.022 4.013 1.00 0.65 C ATOM 0 H ALA A 55 -2.898 6.690 2.226 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.114 3.964 2.264 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.757 4.129 4.637 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -1.764 5.516 4.129 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.524 5.703 4.317 1.00 0.65 H new ATOM 916 N GLY A 56 -4.155 2.624 2.011 1.00 0.59 N ATOM 917 CA GLY A 56 -5.346 1.828 1.793 1.00 0.64 C ATOM 918 C GLY A 56 -5.800 1.878 0.350 1.00 0.62 C ATOM 919 O GLY A 56 -6.832 1.307 -0.014 1.00 0.66 O ATOM 0 H GLY A 56 -3.276 2.129 1.858 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -5.149 0.794 2.076 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -6.147 2.188 2.439 1.00 0.64 H new ATOM 923 N GLY A 57 -5.023 2.561 -0.476 1.00 0.63 N ATOM 924 CA GLY A 57 -5.351 2.681 -1.877 1.00 0.65 C ATOM 925 C GLY A 57 -4.156 2.411 -2.766 1.00 0.59 C ATOM 926 O GLY A 57 -3.043 2.208 -2.276 1.00 0.55 O ATOM 0 H GLY A 57 -4.165 3.037 -0.196 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.151 1.982 -2.123 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.731 3.683 -2.076 1.00 0.65 H new ATOM 930 N ASP A 58 -4.383 2.414 -4.072 1.00 0.65 N ATOM 931 CA ASP A 58 -3.318 2.167 -5.038 1.00 0.62 C ATOM 932 C ASP A 58 -2.762 3.487 -5.548 1.00 0.61 C ATOM 933 O ASP A 58 -3.499 4.318 -6.077 1.00 0.71 O ATOM 934 CB ASP A 58 -3.837 1.321 -6.210 1.00 0.69 C ATOM 935 CG ASP A 58 -2.741 0.938 -7.188 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.280 1.818 -7.945 1.00 1.51 O ATOM 937 OD2 ASP A 58 -2.336 -0.245 -7.211 1.00 1.32 O ATOM 0 H ASP A 58 -5.298 2.585 -4.490 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.520 1.614 -4.542 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.303 0.416 -5.821 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.612 1.877 -6.738 1.00 0.69 H new ATOM 942 N ALA A 59 -1.462 3.681 -5.376 1.00 0.55 N ATOM 943 CA ALA A 59 -0.811 4.906 -5.814 1.00 0.57 C ATOM 944 C ALA A 59 0.178 4.630 -6.939 1.00 0.54 C ATOM 945 O ALA A 59 1.119 5.400 -7.154 1.00 0.54 O ATOM 946 CB ALA A 59 -0.110 5.586 -4.645 1.00 0.60 C ATOM 0 H ALA A 59 -0.838 3.005 -4.936 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.580 5.576 -6.197 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.371 6.501 -4.992 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -0.841 5.830 -3.874 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.642 4.914 -4.231 1.00 0.60 H new ATOM 952 N THR A 60 -0.043 3.539 -7.666 1.00 0.56 N ATOM 953 CA THR A 60 0.830 3.173 -8.773 1.00 0.57 C ATOM 954 C THR A 60 0.867 4.288 -9.815 1.00 0.57 C ATOM 955 O THR A 60 1.910 4.558 -10.416 1.00 0.58 O ATOM 956 CB THR A 60 0.366 1.860 -9.436 1.00 0.64 C ATOM 957 OG1 THR A 60 0.128 0.868 -8.429 1.00 0.67 O ATOM 958 CG2 THR A 60 1.402 1.345 -10.419 1.00 0.71 C ATOM 0 H THR A 60 -0.818 2.895 -7.508 1.00 0.56 H new ATOM 0 HA THR A 60 1.832 3.024 -8.370 1.00 0.57 H new ATOM 0 HB THR A 60 -0.555 2.063 -9.982 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.564 0.247 -8.739 1.00 0.67 H new ATOM 0 HG21 THR A 60 1.047 0.419 -10.870 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.565 2.089 -11.199 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.339 1.157 -9.895 1.00 0.71 H new ATOM 966 N GLU A 61 -0.271 4.954 -9.988 1.00 0.62 N ATOM 967 CA GLU A 61 -0.394 6.043 -10.947 1.00 0.67 C ATOM 968 C GLU A 61 0.604 7.161 -10.647 1.00 0.63 C ATOM 969 O GLU A 61 1.299 7.636 -11.538 1.00 0.74 O ATOM 970 CB GLU A 61 -1.826 6.597 -10.946 1.00 0.78 C ATOM 971 CG GLU A 61 -2.335 7.013 -9.573 1.00 0.83 C ATOM 972 CD GLU A 61 -3.619 7.809 -9.651 1.00 1.06 C ATOM 973 OE1 GLU A 61 -3.544 9.052 -9.779 1.00 1.64 O ATOM 974 OE2 GLU A 61 -4.707 7.201 -9.579 1.00 1.48 O ATOM 0 H GLU A 61 -1.127 4.755 -9.471 1.00 0.62 H new ATOM 0 HA GLU A 61 -0.168 5.645 -11.936 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.871 7.458 -11.613 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.496 5.841 -11.355 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.498 6.124 -8.964 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.572 7.608 -9.070 1.00 0.83 H new ATOM 981 N ASN A 62 0.698 7.551 -9.379 1.00 0.56 N ATOM 982 CA ASN A 62 1.605 8.621 -8.971 1.00 0.55 C ATOM 983 C ASN A 62 3.047 8.131 -8.967 1.00 0.50 C ATOM 984 O ASN A 62 3.969 8.877 -9.295 1.00 0.50 O ATOM 985 CB ASN A 62 1.226 9.144 -7.582 1.00 0.58 C ATOM 986 CG ASN A 62 1.785 10.529 -7.311 1.00 0.82 C ATOM 987 OD1 ASN A 62 2.886 10.682 -6.782 1.00 1.28 O ATOM 988 ND2 ASN A 62 1.022 11.548 -7.670 1.00 1.32 N ATOM 0 H ASN A 62 0.158 7.143 -8.616 1.00 0.56 H new ATOM 0 HA ASN A 62 1.515 9.435 -9.690 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.140 9.169 -7.491 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.594 8.452 -6.824 1.00 0.58 H new ATOM 0 HD21 ASN A 62 1.340 12.504 -7.511 1.00 1.32 H new ATOM 0 HD22 ASN A 62 0.116 11.378 -8.106 1.00 1.32 H new ATOM 995 N PHE A 63 3.224 6.862 -8.616 1.00 0.48 N ATOM 996 CA PHE A 63 4.545 6.249 -8.558 1.00 0.46 C ATOM 997 C PHE A 63 5.260 6.355 -9.907 1.00 0.49 C ATOM 998 O PHE A 63 6.433 6.732 -9.968 1.00 0.50 O ATOM 999 CB PHE A 63 4.416 4.780 -8.141 1.00 0.48 C ATOM 1000 CG PHE A 63 5.678 4.182 -7.583 1.00 0.51 C ATOM 1001 CD1 PHE A 63 5.957 4.255 -6.227 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.581 3.536 -8.413 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.111 3.697 -5.710 1.00 0.76 C ATOM 1004 CE2 PHE A 63 7.736 2.975 -7.902 1.00 0.77 C ATOM 1005 CZ PHE A 63 8.000 3.055 -6.547 1.00 0.73 C ATOM 0 H PHE A 63 2.461 6.233 -8.365 1.00 0.48 H new ATOM 0 HA PHE A 63 5.141 6.783 -7.818 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.626 4.694 -7.395 1.00 0.48 H new ATOM 0 HB3 PHE A 63 4.102 4.195 -9.006 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.264 4.754 -5.566 1.00 0.63 H new ATOM 0 HD2 PHE A 63 6.379 3.470 -9.472 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.317 3.764 -4.652 1.00 0.76 H new ATOM 0 HE2 PHE A 63 8.431 2.475 -8.560 1.00 0.77 H new ATOM 0 HZ PHE A 63 8.901 2.616 -6.145 1.00 0.73 H new ATOM 1015 N GLU A 64 4.544 6.046 -10.982 1.00 0.53 N ATOM 1016 CA GLU A 64 5.120 6.110 -12.320 1.00 0.58 C ATOM 1017 C GLU A 64 4.997 7.515 -12.904 1.00 0.57 C ATOM 1018 O GLU A 64 5.762 7.893 -13.789 1.00 0.65 O ATOM 1019 CB GLU A 64 4.455 5.090 -13.250 1.00 0.69 C ATOM 1020 CG GLU A 64 2.938 5.215 -13.333 1.00 1.08 C ATOM 1021 CD GLU A 64 2.317 4.163 -14.229 1.00 1.47 C ATOM 1022 OE1 GLU A 64 2.850 3.032 -14.284 1.00 1.88 O ATOM 1023 OE2 GLU A 64 1.294 4.459 -14.888 1.00 1.89 O ATOM 0 H GLU A 64 3.568 5.750 -10.954 1.00 0.53 H new ATOM 0 HA GLU A 64 6.179 5.865 -12.236 1.00 0.58 H new ATOM 0 HB2 GLU A 64 4.873 5.201 -14.251 1.00 0.69 H new ATOM 0 HB3 GLU A 64 4.707 4.086 -12.909 1.00 0.69 H new ATOM 0 HG2 GLU A 64 2.515 5.131 -12.332 1.00 1.08 H new ATOM 0 HG3 GLU A 64 2.678 6.205 -13.707 1.00 1.08 H new ATOM 1030 N ASP A 65 4.032 8.278 -12.404 1.00 0.54 N ATOM 1031 CA ASP A 65 3.808 9.647 -12.866 1.00 0.55 C ATOM 1032 C ASP A 65 5.042 10.496 -12.604 1.00 0.53 C ATOM 1033 O ASP A 65 5.551 11.174 -13.496 1.00 0.58 O ATOM 1034 CB ASP A 65 2.602 10.262 -12.152 1.00 0.57 C ATOM 1035 CG ASP A 65 2.231 11.631 -12.688 1.00 0.69 C ATOM 1036 OD1 ASP A 65 2.783 12.639 -12.200 1.00 0.79 O ATOM 1037 OD2 ASP A 65 1.370 11.709 -13.588 1.00 0.88 O ATOM 0 H ASP A 65 3.388 7.972 -11.675 1.00 0.54 H new ATOM 0 HA ASP A 65 3.610 9.620 -13.937 1.00 0.55 H new ATOM 0 HB2 ASP A 65 1.747 9.594 -12.254 1.00 0.57 H new ATOM 0 HB3 ASP A 65 2.819 10.342 -11.087 1.00 0.57 H new ATOM 1042 N VAL A 66 5.523 10.442 -11.370 1.00 0.50 N ATOM 1043 CA VAL A 66 6.701 11.195 -10.974 1.00 0.52 C ATOM 1044 C VAL A 66 7.965 10.532 -11.512 1.00 0.50 C ATOM 1045 O VAL A 66 8.802 11.179 -12.144 1.00 0.55 O ATOM 1046 CB VAL A 66 6.804 11.313 -9.438 1.00 0.56 C ATOM 1047 CG1 VAL A 66 7.963 12.212 -9.041 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.499 11.831 -8.850 1.00 0.60 C ATOM 0 H VAL A 66 5.112 9.881 -10.624 1.00 0.50 H new ATOM 0 HA VAL A 66 6.604 12.195 -11.396 1.00 0.52 H new ATOM 0 HB VAL A 66 6.992 10.318 -9.034 1.00 0.56 H new ATOM 0 HG11 VAL A 66 8.015 12.280 -7.954 1.00 0.67 H new ATOM 0 HG12 VAL A 66 8.895 11.795 -9.424 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.812 13.207 -9.460 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.593 11.907 -7.767 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.278 12.814 -9.265 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.690 11.143 -9.097 1.00 0.60 H new ATOM 1058 N GLY A 67 8.078 9.234 -11.287 1.00 0.50 N ATOM 1059 CA GLY A 67 9.240 8.501 -11.739 1.00 0.54 C ATOM 1060 C GLY A 67 10.175 8.200 -10.594 1.00 0.54 C ATOM 1061 O GLY A 67 10.697 9.112 -9.952 1.00 0.82 O ATOM 0 H GLY A 67 7.382 8.672 -10.797 1.00 0.50 H new ATOM 0 HA2 GLY A 67 8.925 7.569 -12.209 1.00 0.54 H new ATOM 0 HA3 GLY A 67 9.766 9.080 -12.499 1.00 0.54 H new ATOM 1065 N HIS A 68 10.392 6.925 -10.332 1.00 0.45 N ATOM 1066 CA HIS A 68 11.254 6.521 -9.236 1.00 0.42 C ATOM 1067 C HIS A 68 12.523 5.862 -9.749 1.00 0.47 C ATOM 1068 O HIS A 68 12.546 5.309 -10.849 1.00 0.58 O ATOM 1069 CB HIS A 68 10.508 5.574 -8.294 1.00 0.39 C ATOM 1070 CG HIS A 68 9.573 6.284 -7.362 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.304 6.693 -7.708 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.749 6.660 -6.074 1.00 0.41 C ATOM 1073 CE1 HIS A 68 7.762 7.295 -6.642 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.598 7.301 -5.623 1.00 0.40 N ATOM 0 H HIS A 68 9.985 6.153 -10.861 1.00 0.45 H new ATOM 0 HA HIS A 68 11.539 7.417 -8.684 1.00 0.42 H new ATOM 0 HB2 HIS A 68 9.943 4.854 -8.886 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.233 5.008 -7.709 1.00 0.39 H new ATOM 0 HD1 HIS A 68 7.857 6.561 -8.615 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.641 6.490 -5.489 1.00 0.41 H new ATOM 0 HE1 HIS A 68 6.769 7.720 -6.620 1.00 0.35 H new ATOM 1082 N SER A 69 13.572 5.924 -8.944 1.00 0.45 N ATOM 1083 CA SER A 69 14.854 5.339 -9.296 1.00 0.50 C ATOM 1084 C SER A 69 14.775 3.814 -9.311 1.00 0.50 C ATOM 1085 O SER A 69 13.844 3.224 -8.752 1.00 0.46 O ATOM 1086 CB SER A 69 15.912 5.811 -8.297 1.00 0.55 C ATOM 1087 OG SER A 69 15.299 6.297 -7.113 1.00 1.01 O ATOM 0 H SER A 69 13.558 6.380 -8.032 1.00 0.45 H new ATOM 0 HA SER A 69 15.129 5.664 -10.299 1.00 0.50 H new ATOM 0 HB2 SER A 69 16.583 4.987 -8.054 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.520 6.596 -8.747 1.00 0.55 H new ATOM 0 HG SER A 69 15.300 7.277 -7.123 1.00 1.01 H new ATOM 1093 N THR A 70 15.748 3.177 -9.946 1.00 0.59 N ATOM 1094 CA THR A 70 15.783 1.725 -10.031 1.00 0.64 C ATOM 1095 C THR A 70 16.008 1.104 -8.654 1.00 0.61 C ATOM 1096 O THR A 70 15.545 0.000 -8.377 1.00 0.66 O ATOM 1097 CB THR A 70 16.889 1.259 -10.995 1.00 0.78 C ATOM 1098 OG1 THR A 70 17.217 2.327 -11.896 1.00 0.89 O ATOM 1099 CG2 THR A 70 16.436 0.040 -11.788 1.00 1.08 C ATOM 0 H THR A 70 16.526 3.645 -10.411 1.00 0.59 H new ATOM 0 HA THR A 70 14.818 1.394 -10.414 1.00 0.64 H new ATOM 0 HB THR A 70 17.768 0.984 -10.412 1.00 0.78 H new ATOM 0 HG1 THR A 70 17.922 2.033 -12.509 1.00 0.89 H new ATOM 0 HG21 THR A 70 17.233 -0.272 -12.463 1.00 1.08 H new ATOM 0 HG22 THR A 70 16.202 -0.774 -11.102 1.00 1.08 H new ATOM 0 HG23 THR A 70 15.548 0.292 -12.368 1.00 1.08 H new ATOM 1107 N ASP A 71 16.708 1.828 -7.791 1.00 0.60 N ATOM 1108 CA ASP A 71 16.980 1.353 -6.442 1.00 0.61 C ATOM 1109 C ASP A 71 15.748 1.507 -5.559 1.00 0.54 C ATOM 1110 O ASP A 71 15.472 0.664 -4.710 1.00 0.56 O ATOM 1111 CB ASP A 71 18.149 2.125 -5.826 1.00 0.70 C ATOM 1112 CG ASP A 71 18.556 1.578 -4.472 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.408 0.663 -4.426 1.00 1.38 O ATOM 1114 OD2 ASP A 71 18.027 2.054 -3.448 1.00 1.29 O ATOM 0 H ASP A 71 17.098 2.747 -8.002 1.00 0.60 H new ATOM 0 HA ASP A 71 17.242 0.297 -6.505 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.003 2.085 -6.502 1.00 0.70 H new ATOM 0 HB3 ASP A 71 17.873 3.174 -5.722 1.00 0.70 H new ATOM 1119 N ALA A 72 14.995 2.580 -5.789 1.00 0.48 N ATOM 1120 CA ALA A 72 13.794 2.866 -5.013 1.00 0.44 C ATOM 1121 C ALA A 72 12.803 1.705 -5.039 1.00 0.42 C ATOM 1122 O ALA A 72 12.250 1.331 -4.004 1.00 0.43 O ATOM 1123 CB ALA A 72 13.130 4.131 -5.527 1.00 0.47 C ATOM 0 H ALA A 72 15.199 3.270 -6.512 1.00 0.48 H new ATOM 0 HA ALA A 72 14.101 3.010 -3.977 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.234 4.336 -4.941 1.00 0.47 H new ATOM 0 HB2 ALA A 72 13.822 4.968 -5.436 1.00 0.47 H new ATOM 0 HB3 ALA A 72 12.856 3.999 -6.574 1.00 0.47 H new ATOM 1129 N ARG A 73 12.590 1.130 -6.218 1.00 0.44 N ATOM 1130 CA ARG A 73 11.657 0.013 -6.365 1.00 0.48 C ATOM 1131 C ARG A 73 12.207 -1.262 -5.722 1.00 0.49 C ATOM 1132 O ARG A 73 11.448 -2.150 -5.339 1.00 0.56 O ATOM 1133 CB ARG A 73 11.315 -0.221 -7.844 1.00 0.54 C ATOM 1134 CG ARG A 73 12.528 -0.324 -8.753 1.00 0.68 C ATOM 1135 CD ARG A 73 12.744 -1.744 -9.245 1.00 0.74 C ATOM 1136 NE ARG A 73 11.758 -2.137 -10.252 1.00 0.90 N ATOM 1137 CZ ARG A 73 11.594 -3.386 -10.681 1.00 1.08 C ATOM 1138 NH1 ARG A 73 12.330 -4.370 -10.178 1.00 1.08 N ATOM 1139 NH2 ARG A 73 10.688 -3.653 -11.614 1.00 1.36 N ATOM 0 H ARG A 73 13.048 1.416 -7.084 1.00 0.44 H new ATOM 0 HA ARG A 73 10.738 0.276 -5.841 1.00 0.48 H new ATOM 0 HB2 ARG A 73 10.731 -1.137 -7.930 1.00 0.54 H new ATOM 0 HB3 ARG A 73 10.681 0.595 -8.193 1.00 0.54 H new ATOM 0 HG2 ARG A 73 12.400 0.341 -9.607 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.414 0.014 -8.216 1.00 0.68 H new ATOM 0 HD2 ARG A 73 13.746 -1.832 -9.666 1.00 0.74 H new ATOM 0 HD3 ARG A 73 12.692 -2.431 -8.400 1.00 0.74 H new ATOM 0 HE ARG A 73 11.161 -1.411 -10.649 1.00 0.90 H new ATOM 0 HH11 ARG A 73 13.025 -4.170 -9.459 1.00 1.08 H new ATOM 0 HH12 ARG A 73 12.200 -5.325 -10.511 1.00 1.08 H new ATOM 0 HH21 ARG A 73 10.118 -2.901 -12.002 1.00 1.36 H new ATOM 0 HH22 ARG A 73 10.562 -4.610 -11.943 1.00 1.36 H new ATOM 1153 N GLU A 74 13.525 -1.343 -5.589 1.00 0.47 N ATOM 1154 CA GLU A 74 14.157 -2.501 -4.975 1.00 0.51 C ATOM 1155 C GLU A 74 14.136 -2.348 -3.458 1.00 0.49 C ATOM 1156 O GLU A 74 14.043 -3.329 -2.716 1.00 0.55 O ATOM 1157 CB GLU A 74 15.597 -2.662 -5.473 1.00 0.57 C ATOM 1158 CG GLU A 74 15.699 -3.048 -6.940 1.00 0.65 C ATOM 1159 CD GLU A 74 14.984 -4.346 -7.255 1.00 0.75 C ATOM 1160 OE1 GLU A 74 15.211 -5.346 -6.538 1.00 1.01 O ATOM 1161 OE2 GLU A 74 14.200 -4.378 -8.227 1.00 0.84 O ATOM 0 H GLU A 74 14.175 -0.621 -5.898 1.00 0.47 H new ATOM 0 HA GLU A 74 13.601 -3.396 -5.255 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.133 -1.726 -5.315 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.097 -3.421 -4.871 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.279 -2.249 -7.551 1.00 0.65 H new ATOM 0 HG3 GLU A 74 16.750 -3.141 -7.215 1.00 0.65 H new ATOM 1168 N LEU A 75 14.219 -1.104 -3.007 1.00 0.47 N ATOM 1169 CA LEU A 75 14.200 -0.794 -1.586 1.00 0.48 C ATOM 1170 C LEU A 75 12.804 -1.017 -1.006 1.00 0.43 C ATOM 1171 O LEU A 75 12.653 -1.542 0.098 1.00 0.44 O ATOM 1172 CB LEU A 75 14.650 0.652 -1.354 1.00 0.53 C ATOM 1173 CG LEU A 75 14.655 1.114 0.106 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.709 0.360 0.904 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.892 2.614 0.180 1.00 0.61 C ATOM 0 H LEU A 75 14.301 -0.287 -3.612 1.00 0.47 H new ATOM 0 HA LEU A 75 14.894 -1.463 -1.076 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.655 0.771 -1.758 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.997 1.313 -1.924 1.00 0.53 H new ATOM 0 HG LEU A 75 13.681 0.896 0.544 1.00 0.56 H new ATOM 0 HD11 LEU A 75 15.696 0.703 1.939 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.494 -0.708 0.873 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.693 0.544 0.473 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.893 2.931 1.223 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.854 2.853 -0.273 1.00 0.61 H new ATOM 0 HD23 LEU A 75 14.099 3.135 -0.356 1.00 0.61 H new ATOM 1187 N SER A 76 11.787 -0.636 -1.767 1.00 0.45 N ATOM 1188 CA SER A 76 10.408 -0.798 -1.329 1.00 0.46 C ATOM 1189 C SER A 76 10.015 -2.274 -1.317 1.00 0.43 C ATOM 1190 O SER A 76 9.102 -2.678 -0.600 1.00 0.45 O ATOM 1191 CB SER A 76 9.465 -0.003 -2.234 1.00 0.55 C ATOM 1192 OG SER A 76 9.963 0.056 -3.560 1.00 0.82 O ATOM 0 H SER A 76 11.891 -0.213 -2.689 1.00 0.45 H new ATOM 0 HA SER A 76 10.324 -0.413 -0.313 1.00 0.46 H new ATOM 0 HB2 SER A 76 8.478 -0.466 -2.233 1.00 0.55 H new ATOM 0 HB3 SER A 76 9.344 1.007 -1.842 1.00 0.55 H new ATOM 0 HG SER A 76 10.554 0.832 -3.653 1.00 0.82 H new ATOM 1198 N LYS A 77 10.744 -3.081 -2.087 1.00 0.45 N ATOM 1199 CA LYS A 77 10.477 -4.513 -2.179 1.00 0.51 C ATOM 1200 C LYS A 77 10.823 -5.228 -0.872 1.00 0.47 C ATOM 1201 O LYS A 77 10.639 -6.437 -0.744 1.00 0.56 O ATOM 1202 CB LYS A 77 11.268 -5.132 -3.334 1.00 0.63 C ATOM 1203 CG LYS A 77 10.646 -6.407 -3.874 1.00 0.94 C ATOM 1204 CD LYS A 77 11.581 -7.119 -4.832 1.00 1.20 C ATOM 1205 CE LYS A 77 10.942 -8.382 -5.381 1.00 1.60 C ATOM 1206 NZ LYS A 77 11.874 -9.150 -6.246 1.00 1.89 N ATOM 0 H LYS A 77 11.527 -2.764 -2.658 1.00 0.45 H new ATOM 0 HA LYS A 77 9.411 -4.639 -2.367 1.00 0.51 H new ATOM 0 HB2 LYS A 77 11.347 -4.404 -4.142 1.00 0.63 H new ATOM 0 HB3 LYS A 77 12.282 -5.346 -2.997 1.00 0.63 H new ATOM 0 HG2 LYS A 77 10.397 -7.071 -3.046 1.00 0.94 H new ATOM 0 HG3 LYS A 77 9.712 -6.170 -4.384 1.00 0.94 H new ATOM 0 HD2 LYS A 77 11.841 -6.452 -5.654 1.00 1.20 H new ATOM 0 HD3 LYS A 77 12.510 -7.371 -4.319 1.00 1.20 H new ATOM 0 HE2 LYS A 77 10.615 -9.011 -4.553 1.00 1.60 H new ATOM 0 HE3 LYS A 77 10.052 -8.118 -5.952 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 11.396 -10.004 -6.599 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 12.167 -8.560 -7.051 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 12.712 -9.425 -5.695 1.00 1.89 H new ATOM 1220 N THR A 78 11.340 -4.484 0.091 1.00 0.42 N ATOM 1221 CA THR A 78 11.685 -5.050 1.379 1.00 0.48 C ATOM 1222 C THR A 78 10.534 -4.841 2.367 1.00 0.43 C ATOM 1223 O THR A 78 10.538 -5.378 3.477 1.00 0.53 O ATOM 1224 CB THR A 78 13.010 -4.447 1.918 1.00 0.59 C ATOM 1225 OG1 THR A 78 13.797 -5.474 2.531 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.767 -3.325 2.920 1.00 0.63 C ATOM 0 H THR A 78 11.529 -3.486 0.003 1.00 0.42 H new ATOM 0 HA THR A 78 11.844 -6.121 1.258 1.00 0.48 H new ATOM 0 HB THR A 78 13.543 -4.022 1.068 1.00 0.59 H new ATOM 0 HG1 THR A 78 14.633 -5.089 2.868 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.723 -2.935 3.269 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.202 -2.525 2.441 1.00 0.63 H new ATOM 0 HG23 THR A 78 12.202 -3.711 3.768 1.00 0.63 H new ATOM 1234 N PHE A 79 9.529 -4.088 1.928 1.00 0.36 N ATOM 1235 CA PHE A 79 8.363 -3.797 2.754 1.00 0.38 C ATOM 1236 C PHE A 79 7.130 -4.517 2.216 1.00 0.32 C ATOM 1237 O PHE A 79 6.002 -4.207 2.595 1.00 0.33 O ATOM 1238 CB PHE A 79 8.098 -2.289 2.791 1.00 0.46 C ATOM 1239 CG PHE A 79 9.226 -1.476 3.359 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.666 -1.687 4.656 1.00 1.10 C ATOM 1241 CD2 PHE A 79 9.843 -0.496 2.599 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.704 -0.939 5.181 1.00 1.16 C ATOM 1243 CE2 PHE A 79 10.880 0.257 3.117 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.309 0.037 4.411 1.00 0.70 C ATOM 0 H PHE A 79 9.500 -3.667 1.000 1.00 0.36 H new ATOM 0 HA PHE A 79 8.568 -4.151 3.764 1.00 0.38 H new ATOM 0 HB2 PHE A 79 7.891 -1.944 1.778 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.200 -2.104 3.381 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.193 -2.444 5.264 1.00 1.10 H new ATOM 0 HD2 PHE A 79 9.509 -0.318 1.587 1.00 0.96 H new ATOM 0 HE1 PHE A 79 11.042 -1.117 6.191 1.00 1.16 H new ATOM 0 HE2 PHE A 79 11.353 1.015 2.511 1.00 1.01 H new ATOM 0 HZ PHE A 79 12.116 0.626 4.821 1.00 0.70 H new ATOM 1254 N ILE A 80 7.348 -5.475 1.326 1.00 0.38 N ATOM 1255 CA ILE A 80 6.249 -6.228 0.735 1.00 0.36 C ATOM 1256 C ILE A 80 5.730 -7.279 1.715 1.00 0.33 C ATOM 1257 O ILE A 80 6.480 -8.141 2.176 1.00 0.42 O ATOM 1258 CB ILE A 80 6.671 -6.904 -0.599 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.505 -7.694 -1.201 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.881 -7.807 -0.403 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.556 -6.843 -2.014 1.00 0.72 C ATOM 0 H ILE A 80 8.274 -5.749 0.997 1.00 0.38 H new ATOM 0 HA ILE A 80 5.449 -5.521 0.515 1.00 0.36 H new ATOM 0 HB ILE A 80 6.950 -6.114 -1.296 1.00 0.46 H new ATOM 0 HG12 ILE A 80 5.902 -8.487 -1.834 1.00 0.46 H new ATOM 0 HG13 ILE A 80 4.950 -8.176 -0.397 1.00 0.46 H new ATOM 0 HG21 ILE A 80 8.151 -8.265 -1.355 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.719 -7.217 -0.033 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.640 -8.587 0.319 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.755 -7.468 -2.410 1.00 0.72 H new ATOM 0 HD12 ILE A 80 4.130 -6.066 -1.380 1.00 0.72 H new ATOM 0 HD13 ILE A 80 5.098 -6.381 -2.840 1.00 0.72 H new ATOM 1273 N ILE A 81 4.454 -7.176 2.069 1.00 0.28 N ATOM 1274 CA ILE A 81 3.848 -8.133 2.989 1.00 0.32 C ATOM 1275 C ILE A 81 2.889 -9.057 2.249 1.00 0.29 C ATOM 1276 O ILE A 81 2.471 -10.089 2.778 1.00 0.31 O ATOM 1277 CB ILE A 81 3.096 -7.448 4.157 1.00 0.42 C ATOM 1278 CG1 ILE A 81 1.892 -6.640 3.634 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.052 -6.579 4.969 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.018 -5.136 3.776 1.00 0.77 C ATOM 0 H ILE A 81 3.823 -6.446 1.737 1.00 0.28 H new ATOM 0 HA ILE A 81 4.669 -8.710 3.414 1.00 0.32 H new ATOM 0 HB ILE A 81 2.704 -8.219 4.821 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.743 -6.879 2.581 1.00 0.50 H new ATOM 0 HG13 ILE A 81 0.997 -6.966 4.164 1.00 0.50 H new ATOM 0 HG21 ILE A 81 3.508 -6.105 5.786 1.00 0.43 H new ATOM 0 HG22 ILE A 81 4.850 -7.199 5.377 1.00 0.43 H new ATOM 0 HG23 ILE A 81 4.482 -5.811 4.325 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.122 -4.657 3.380 1.00 0.77 H new ATOM 0 HD12 ILE A 81 2.132 -4.878 4.829 1.00 0.77 H new ATOM 0 HD13 ILE A 81 2.890 -4.790 3.221 1.00 0.77 H new ATOM 1292 N GLY A 82 2.541 -8.694 1.020 1.00 0.32 N ATOM 1293 CA GLY A 82 1.640 -9.517 0.254 1.00 0.35 C ATOM 1294 C GLY A 82 1.014 -8.793 -0.918 1.00 0.31 C ATOM 1295 O GLY A 82 1.439 -7.700 -1.287 1.00 0.34 O ATOM 0 H GLY A 82 2.866 -7.850 0.548 1.00 0.32 H new ATOM 0 HA2 GLY A 82 2.180 -10.389 -0.114 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.850 -9.884 0.909 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.009 -9.405 -1.496 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.707 -8.839 -2.640 1.00 0.31 C ATOM 1301 C GLU A 83 -2.212 -8.822 -2.397 1.00 0.32 C ATOM 1302 O GLU A 83 -2.691 -9.277 -1.354 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.427 -9.653 -3.906 1.00 0.37 C ATOM 1304 CG GLU A 83 1.042 -9.899 -4.197 1.00 0.61 C ATOM 1305 CD GLU A 83 1.244 -10.640 -5.506 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.286 -11.293 -5.979 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.353 -10.566 -6.074 1.00 0.86 O ATOM 0 H GLU A 83 -0.377 -10.304 -1.186 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.344 -7.820 -2.773 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.931 -10.616 -3.820 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -0.869 -9.136 -4.758 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.569 -8.946 -4.235 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.482 -10.475 -3.383 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.941 -8.296 -3.368 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.393 -8.229 -3.291 1.00 0.44 C ATOM 1316 C LEU A 84 -5.003 -9.510 -3.860 1.00 0.40 C ATOM 1317 O LEU A 84 -4.392 -10.174 -4.706 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.918 -7.013 -4.067 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.420 -5.841 -3.213 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -6.596 -6.268 -2.351 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -4.299 -5.280 -2.352 1.00 0.87 C ATOM 0 H LEU A 84 -2.548 -7.906 -4.225 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.681 -8.126 -2.245 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -4.122 -6.649 -4.717 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.732 -7.342 -4.713 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.758 -5.053 -3.886 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -6.936 -5.422 -1.754 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -7.410 -6.611 -2.990 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -6.287 -7.078 -1.690 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -4.679 -4.450 -1.756 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -3.923 -6.060 -1.690 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.491 -4.927 -2.992 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.197 -9.850 -3.392 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.902 -11.041 -3.857 1.00 0.48 C ATOM 1335 C HIS A 85 -7.130 -10.966 -5.364 1.00 0.42 C ATOM 1336 O HIS A 85 -7.304 -9.879 -5.912 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.252 -11.170 -3.143 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.493 -12.520 -2.537 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -9.413 -13.426 -3.033 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.927 -13.117 -1.463 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -9.396 -14.515 -2.288 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -8.503 -14.353 -1.331 1.00 1.10 N ATOM 0 H HIS A 85 -6.702 -9.315 -2.686 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.290 -11.914 -3.630 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.311 -10.415 -2.359 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -9.050 -10.954 -3.854 1.00 0.61 H new ATOM 0 HD1 HIS A 85 -10.010 -13.276 -3.846 1.00 1.22 H new ATOM 0 HD2 HIS A 85 -7.162 -12.697 -0.827 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -10.010 -15.391 -2.437 1.00 1.48 H new ATOM 1351 N PRO A 86 -7.113 -12.117 -6.060 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.334 -12.171 -7.510 1.00 0.44 C ATOM 1353 C PRO A 86 -8.660 -11.536 -7.907 1.00 0.40 C ATOM 1354 O PRO A 86 -8.777 -10.929 -8.972 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.344 -13.674 -7.833 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.478 -14.361 -6.518 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.850 -13.449 -5.506 1.00 0.53 C ATOM 0 HA PRO A 86 -6.568 -11.619 -8.055 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -8.172 -13.928 -8.495 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.427 -13.973 -8.341 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.526 -14.545 -6.280 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.979 -15.330 -6.532 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.296 -13.572 -4.519 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.782 -13.639 -5.399 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.650 -11.674 -7.033 1.00 0.41 N ATOM 1366 CA ASP A 87 -10.977 -11.116 -7.265 1.00 0.43 C ATOM 1367 C ASP A 87 -10.924 -9.594 -7.237 1.00 0.41 C ATOM 1368 O ASP A 87 -11.724 -8.917 -7.882 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.951 -11.618 -6.197 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.871 -13.116 -6.005 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -12.586 -13.848 -6.724 1.00 1.30 O ATOM 1372 OD2 ASP A 87 -11.082 -13.565 -5.140 1.00 1.28 O ATOM 0 H ASP A 87 -9.557 -12.173 -6.148 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.323 -11.439 -8.247 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.737 -11.121 -5.251 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.968 -11.344 -6.478 1.00 0.55 H new ATOM 1377 N ASP A 88 -9.957 -9.066 -6.502 1.00 0.42 N ATOM 1378 CA ASP A 88 -9.773 -7.628 -6.376 1.00 0.50 C ATOM 1379 C ASP A 88 -8.650 -7.172 -7.300 1.00 0.49 C ATOM 1380 O ASP A 88 -8.059 -6.110 -7.109 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.441 -7.247 -4.925 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.562 -7.570 -3.955 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -11.648 -6.966 -4.070 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -10.362 -8.431 -3.064 1.00 1.20 O ATOM 0 H ASP A 88 -9.280 -9.620 -5.978 1.00 0.42 H new ATOM 0 HA ASP A 88 -10.702 -7.132 -6.659 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.538 -7.772 -4.615 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.222 -6.180 -4.876 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.354 -7.992 -8.301 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.298 -7.685 -9.257 1.00 0.51 C ATOM 1391 C ARG A 89 -7.782 -7.895 -10.689 1.00 0.57 C ATOM 1392 O ARG A 89 -7.513 -7.082 -11.569 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.075 -8.564 -8.989 1.00 0.56 C ATOM 1394 CG ARG A 89 -4.781 -8.033 -9.596 1.00 0.89 C ATOM 1395 CD ARG A 89 -3.651 -9.050 -9.490 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.474 -9.542 -8.123 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.339 -10.082 -7.662 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.252 -10.130 -8.427 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.278 -10.552 -6.426 1.00 0.81 N ATOM 0 H ARG A 89 -8.832 -8.877 -8.472 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.023 -6.637 -9.135 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -5.943 -8.666 -7.912 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.265 -9.562 -9.383 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -4.947 -7.781 -10.643 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.491 -7.113 -9.089 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -3.858 -9.890 -10.152 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -2.722 -8.595 -9.833 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.264 -9.469 -7.482 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.278 -9.753 -9.374 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.392 -10.544 -8.066 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -3.098 -10.504 -5.821 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.411 -10.963 -6.079 1.00 0.81 H new ATOM 1413 N SER A 90 -8.486 -8.996 -10.917 1.00 0.50 N ATOM 1414 CA SER A 90 -9.007 -9.314 -12.240 1.00 0.59 C ATOM 1415 C SER A 90 -10.491 -9.666 -12.167 1.00 0.57 C ATOM 1416 O SER A 90 -10.914 -10.730 -12.622 1.00 0.88 O ATOM 1417 CB SER A 90 -8.211 -10.473 -12.836 1.00 0.71 C ATOM 1418 OG SER A 90 -6.816 -10.243 -12.701 1.00 1.16 O ATOM 0 H SER A 90 -8.710 -9.686 -10.200 1.00 0.50 H new ATOM 0 HA SER A 90 -8.901 -8.439 -12.882 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.482 -11.403 -12.336 1.00 0.71 H new ATOM 0 HB3 SER A 90 -8.465 -10.592 -13.889 1.00 0.71 H new ATOM 0 HG SER A 90 -6.321 -10.996 -13.087 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.276 -8.764 -11.594 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.709 -8.965 -11.456 1.00 0.49 C ATOM 1426 C LYS A 91 -13.369 -7.669 -10.992 1.00 0.51 C ATOM 1427 O LYS A 91 -14.103 -7.030 -11.748 1.00 0.59 O ATOM 1428 CB LYS A 91 -13.004 -10.101 -10.464 1.00 0.47 C ATOM 1429 CG LYS A 91 -14.453 -10.569 -10.476 1.00 1.02 C ATOM 1430 CD LYS A 91 -14.752 -11.512 -9.321 1.00 1.09 C ATOM 1431 CE LYS A 91 -14.237 -12.917 -9.592 1.00 1.24 C ATOM 1432 NZ LYS A 91 -14.618 -13.867 -8.514 1.00 1.76 N ATOM 0 H LYS A 91 -10.939 -7.879 -11.215 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.119 -9.246 -12.426 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.357 -10.948 -10.693 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -12.748 -9.768 -9.458 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -15.115 -9.705 -10.420 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -14.665 -11.072 -11.420 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -14.295 -11.127 -8.409 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -15.828 -11.546 -9.149 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -14.633 -13.271 -10.544 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -13.151 -12.893 -9.687 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -14.559 -14.841 -8.873 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -13.971 -13.755 -7.708 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -15.592 -13.670 -8.206 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.104 -7.298 -9.735 1.00 0.48 N ATOM 1447 CA LEU A 92 -13.646 -6.076 -9.131 1.00 0.55 C ATOM 1448 C LEU A 92 -15.174 -6.108 -9.057 1.00 0.58 C ATOM 1449 O LEU A 92 -15.817 -5.082 -8.819 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.180 -4.830 -9.902 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.160 -3.950 -9.173 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.746 -3.405 -7.879 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -10.880 -4.726 -8.895 1.00 0.90 C ATOM 0 H LEU A 92 -12.507 -7.837 -9.107 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.262 -6.025 -8.112 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -12.747 -5.151 -10.849 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.054 -4.223 -10.140 1.00 0.65 H new ATOM 0 HG LEU A 92 -11.916 -3.107 -9.820 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -12.005 -2.783 -7.378 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.630 -2.807 -8.103 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -13.024 -4.234 -7.228 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.169 -4.082 -8.377 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.107 -5.591 -8.272 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -10.446 -5.061 -9.837 1.00 0.90 H new ATOM 1465 N SER A 93 -15.751 -7.285 -9.247 1.00 0.52 N ATOM 1466 CA SER A 93 -17.193 -7.444 -9.200 1.00 0.57 C ATOM 1467 C SER A 93 -17.636 -7.819 -7.790 1.00 0.58 C ATOM 1468 O SER A 93 -17.988 -8.966 -7.516 1.00 0.70 O ATOM 1469 CB SER A 93 -17.627 -8.510 -10.204 1.00 0.62 C ATOM 1470 OG SER A 93 -16.899 -8.381 -11.418 1.00 0.70 O ATOM 0 H SER A 93 -15.238 -8.146 -9.436 1.00 0.52 H new ATOM 0 HA SER A 93 -17.667 -6.499 -9.466 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.467 -9.502 -9.781 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.695 -8.417 -10.402 1.00 0.62 H new ATOM 0 HG SER A 93 -17.189 -9.073 -12.048 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.597 -6.841 -6.896 1.00 0.57 N ATOM 1477 CA LYS A 94 -17.985 -7.042 -5.509 1.00 0.60 C ATOM 1478 C LYS A 94 -18.878 -5.897 -5.051 1.00 0.71 C ATOM 1479 O LYS A 94 -18.721 -4.765 -5.513 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.741 -7.137 -4.614 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.004 -8.465 -4.737 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.580 -8.373 -4.207 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.547 -8.098 -2.712 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.156 -8.035 -2.198 1.00 0.93 N ATOM 0 H LYS A 94 -17.297 -5.890 -7.111 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.539 -7.977 -5.430 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -16.058 -6.326 -4.868 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -17.038 -6.990 -3.576 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.547 -9.234 -4.188 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -15.984 -8.774 -5.782 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.054 -9.305 -4.416 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.047 -7.581 -4.733 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.055 -7.157 -2.503 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -15.095 -8.880 -2.186 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -13.163 -7.681 -1.220 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.735 -8.986 -2.219 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -12.594 -7.394 -2.794 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.839 -6.179 -4.158 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.754 -5.162 -3.631 1.00 0.92 C ATOM 1500 C PRO A 95 -20.042 -4.163 -2.724 1.00 0.95 C ATOM 1501 O PRO A 95 -19.385 -4.547 -1.755 1.00 1.03 O ATOM 1502 CB PRO A 95 -21.776 -5.978 -2.833 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.069 -7.238 -2.472 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.116 -7.517 -3.598 1.00 0.84 C ATOM 0 HA PRO A 95 -21.199 -4.562 -4.425 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.102 -5.440 -1.943 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.667 -6.182 -3.426 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -20.536 -7.129 -1.528 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -21.775 -8.059 -2.346 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.205 -7.999 -3.242 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.558 -8.180 -4.342 1.00 0.84 H new ATOM 1512 N MET A 96 -20.174 -2.884 -3.043 1.00 1.06 N ATOM 1513 CA MET A 96 -19.543 -1.837 -2.254 1.00 1.14 C ATOM 1514 C MET A 96 -20.515 -1.291 -1.215 1.00 1.16 C ATOM 1515 O MET A 96 -20.326 -1.510 -0.022 1.00 1.25 O ATOM 1516 CB MET A 96 -19.043 -0.705 -3.158 1.00 1.31 C ATOM 1517 CG MET A 96 -18.207 0.334 -2.425 1.00 1.38 C ATOM 1518 SD MET A 96 -17.689 1.699 -3.489 1.00 1.63 S ATOM 1519 CE MET A 96 -19.277 2.352 -3.992 1.00 1.94 C ATOM 0 H MET A 96 -20.712 -2.547 -3.842 1.00 1.06 H new ATOM 0 HA MET A 96 -18.687 -2.270 -1.737 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.450 -1.132 -3.967 1.00 1.31 H new ATOM 0 HB3 MET A 96 -19.900 -0.212 -3.617 1.00 1.31 H new ATOM 0 HG2 MET A 96 -18.782 0.731 -1.588 1.00 1.38 H new ATOM 0 HG3 MET A 96 -17.324 -0.148 -2.005 1.00 1.38 H new ATOM 0 HE1 MET A 96 -19.211 3.436 -4.089 1.00 1.94 H new ATOM 0 HE2 MET A 96 -19.561 1.919 -4.951 1.00 1.94 H new ATOM 0 HE3 MET A 96 -20.028 2.100 -3.243 1.00 1.94 H new ATOM 1529 N GLU A 97 -21.560 -0.602 -1.689 1.00 1.14 N ATOM 1530 CA GLU A 97 -22.585 0.003 -0.828 1.00 1.22 C ATOM 1531 C GLU A 97 -22.004 1.171 -0.023 1.00 1.29 C ATOM 1532 O GLU A 97 -21.000 1.020 0.676 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.203 -1.042 0.111 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.651 -0.760 0.478 1.00 1.50 C ATOM 1535 CD GLU A 97 -25.595 -0.958 -0.689 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -25.951 -2.121 -0.982 1.00 2.38 O ATOM 1537 OE2 GLU A 97 -25.983 0.045 -1.328 1.00 2.57 O ATOM 0 H GLU A 97 -21.720 -0.447 -2.685 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.374 0.390 -1.473 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.143 -2.022 -0.362 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.610 -1.092 1.024 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -24.949 -1.415 1.297 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -24.737 0.264 0.841 1.00 1.50 H new ATOM 1544 N THR A 98 -22.631 2.339 -0.136 1.00 1.31 N ATOM 1545 CA THR A 98 -22.176 3.528 0.575 1.00 1.40 C ATOM 1546 C THR A 98 -23.196 4.664 0.440 1.00 1.39 C ATOM 1547 O THR A 98 -24.219 4.506 -0.234 1.00 1.35 O ATOM 1548 CB THR A 98 -20.793 3.997 0.053 1.00 1.43 C ATOM 1549 OG1 THR A 98 -20.264 5.035 0.888 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.887 4.497 -1.385 1.00 1.37 C ATOM 0 H THR A 98 -23.458 2.486 -0.715 1.00 1.31 H new ATOM 0 HA THR A 98 -22.077 3.265 1.628 1.00 1.40 H new ATOM 0 HB THR A 98 -20.123 3.138 0.080 1.00 1.43 H new ATOM 0 HG1 THR A 98 -19.391 5.318 0.545 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.902 4.819 -1.723 1.00 1.37 H new ATOM 0 HG22 THR A 98 -21.246 3.693 -2.027 1.00 1.37 H new ATOM 0 HG23 THR A 98 -21.580 5.337 -1.434 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.895 5.797 1.082 1.00 1.46 N ATOM 1559 CA LEU A 99 -23.754 6.983 1.056 1.00 1.48 C ATOM 1560 C LEU A 99 -25.157 6.660 1.566 1.00 1.52 C ATOM 1561 O LEU A 99 -26.161 6.935 0.902 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.816 7.575 -0.359 1.00 1.43 C ATOM 1563 CG LEU A 99 -22.514 8.211 -0.858 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -22.547 8.378 -2.372 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -22.279 9.554 -0.177 1.00 1.61 C ATOM 0 H LEU A 99 -22.047 5.917 1.635 1.00 1.46 H new ATOM 0 HA LEU A 99 -23.318 7.727 1.723 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -24.106 6.786 -1.053 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -24.603 8.328 -0.386 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.688 7.547 -0.603 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -21.614 8.831 -2.708 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -22.667 7.402 -2.843 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -23.383 9.020 -2.649 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -21.350 9.990 -0.544 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -23.108 10.225 -0.400 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -22.210 9.408 0.901 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.221 6.089 2.760 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.494 5.721 3.361 1.00 1.68 C ATOM 1579 C ILE A 100 -26.781 6.535 4.621 1.00 1.72 C ATOM 1580 O ILE A 100 -27.892 6.511 5.140 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.536 4.217 3.714 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.298 3.821 4.528 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -26.640 3.371 2.449 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -25.273 2.364 4.947 1.00 1.79 C ATOM 0 H ILE A 100 -24.405 5.870 3.332 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.260 5.939 2.617 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.421 4.032 4.323 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.406 4.034 3.939 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.248 4.445 5.420 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -26.668 2.315 2.719 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -27.551 3.632 1.910 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -25.775 3.560 1.813 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -24.366 2.165 5.518 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -26.145 2.148 5.564 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -25.290 1.730 4.060 1.00 1.79 H new ATOM 1596 N THR A 101 -25.788 7.264 5.105 1.00 1.73 N ATOM 1597 CA THR A 101 -25.963 8.065 6.308 1.00 1.77 C ATOM 1598 C THR A 101 -25.481 9.497 6.102 1.00 1.85 C ATOM 1599 O THR A 101 -24.356 9.727 5.649 1.00 1.80 O ATOM 1600 CB THR A 101 -25.205 7.442 7.498 1.00 1.70 C ATOM 1601 OG1 THR A 101 -25.282 6.012 7.424 1.00 1.85 O ATOM 1602 CG2 THR A 101 -25.790 7.912 8.822 1.00 1.98 C ATOM 0 H THR A 101 -24.859 7.318 4.688 1.00 1.73 H new ATOM 0 HA THR A 101 -27.031 8.082 6.527 1.00 1.77 H new ATOM 0 HB THR A 101 -24.164 7.761 7.446 1.00 1.70 H new ATOM 0 HG1 THR A 101 -24.798 5.619 8.180 1.00 1.85 H new ATOM 0 HG21 THR A 101 -25.238 7.458 9.645 1.00 1.98 H new ATOM 0 HG22 THR A 101 -25.714 8.997 8.889 1.00 1.98 H new ATOM 0 HG23 THR A 101 -26.838 7.617 8.882 1.00 1.98 H new ATOM 1610 N THR A 102 -26.341 10.454 6.425 1.00 2.05 N ATOM 1611 CA THR A 102 -26.009 11.862 6.297 1.00 2.18 C ATOM 1612 C THR A 102 -25.179 12.321 7.495 1.00 2.11 C ATOM 1613 O THR A 102 -25.703 12.514 8.596 1.00 2.23 O ATOM 1614 CB THR A 102 -27.289 12.709 6.199 1.00 2.58 C ATOM 1615 OG1 THR A 102 -28.413 11.927 6.636 1.00 2.89 O ATOM 1616 CG2 THR A 102 -27.520 13.188 4.772 1.00 2.72 C ATOM 0 H THR A 102 -27.280 10.276 6.780 1.00 2.05 H new ATOM 0 HA THR A 102 -25.426 11.995 5.386 1.00 2.18 H new ATOM 0 HB THR A 102 -27.175 13.585 6.838 1.00 2.58 H new ATOM 0 HG1 THR A 102 -29.229 12.466 6.576 1.00 2.89 H new ATOM 0 HG21 THR A 102 -28.431 13.784 4.731 1.00 2.72 H new ATOM 0 HG22 THR A 102 -26.674 13.796 4.451 1.00 2.72 H new ATOM 0 HG23 THR A 102 -27.620 12.327 4.111 1.00 2.72 H new ATOM 1624 N VAL A 103 -23.881 12.465 7.284 1.00 2.05 N ATOM 1625 CA VAL A 103 -22.974 12.889 8.347 1.00 2.08 C ATOM 1626 C VAL A 103 -22.629 14.371 8.214 1.00 2.14 C ATOM 1627 O VAL A 103 -21.866 14.919 9.009 1.00 2.25 O ATOM 1628 CB VAL A 103 -21.668 12.062 8.333 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -21.965 10.583 8.546 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -20.909 12.275 7.029 1.00 1.94 C ATOM 0 H VAL A 103 -23.428 12.295 6.386 1.00 2.05 H new ATOM 0 HA VAL A 103 -23.490 12.723 9.293 1.00 2.08 H new ATOM 0 HB VAL A 103 -21.039 12.406 9.154 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -21.032 10.019 8.533 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -22.458 10.446 9.508 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -22.617 10.224 7.750 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -19.993 11.684 7.040 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -21.532 11.963 6.190 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -20.658 13.330 6.922 1.00 1.94 H new ATOM 1640 N ASP A 104 -23.200 15.006 7.208 1.00 2.18 N ATOM 1641 CA ASP A 104 -22.957 16.412 6.942 1.00 2.30 C ATOM 1642 C ASP A 104 -24.133 17.259 7.409 1.00 2.65 C ATOM 1643 O ASP A 104 -23.980 18.497 7.495 1.00 2.86 O ATOM 1644 CB ASP A 104 -22.707 16.631 5.446 1.00 2.32 C ATOM 1645 CG ASP A 104 -23.861 16.155 4.581 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -24.280 14.985 4.722 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -24.343 16.947 3.739 1.00 2.82 O ATOM 0 H ASP A 104 -23.844 14.563 6.553 1.00 2.18 H new ATOM 0 HA ASP A 104 -22.071 16.720 7.497 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -22.535 17.692 5.262 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -21.798 16.105 5.153 1.00 2.32 H new TER 1652 ASP A 104 HETATM 1653 CHA HEM A 400 10.767 10.665 -4.444 1.00 0.46 C HETATM 1654 CHB HEM A 400 11.189 6.232 -2.679 1.00 0.49 C HETATM 1655 CHC HEM A 400 6.419 5.783 -2.653 1.00 0.41 C HETATM 1656 CHD HEM A 400 5.996 10.222 -4.399 1.00 0.38 C HETATM 1657 C1A HEM A 400 11.297 9.486 -3.976 1.00 0.46 C HETATM 1658 C2A HEM A 400 12.711 9.217 -3.874 1.00 0.53 C HETATM 1659 C3A HEM A 400 12.831 7.966 -3.365 1.00 0.54 C HETATM 1660 C4A HEM A 400 11.489 7.476 -3.173 1.00 0.47 C HETATM 1661 CMA HEM A 400 14.098 7.228 -3.077 1.00 0.63 C HETATM 1662 CAA HEM A 400 13.821 10.121 -4.293 1.00 0.61 C HETATM 1663 CBA HEM A 400 13.860 10.331 -5.814 1.00 0.95 C HETATM 1664 CGA HEM A 400 15.172 9.781 -6.370 1.00 0.91 C HETATM 1665 O1A HEM A 400 16.244 10.211 -5.894 1.00 1.48 O HETATM 1666 O2A HEM A 400 15.124 8.923 -7.277 1.00 1.29 O HETATM 1667 C1B HEM A 400 9.922 5.730 -2.503 1.00 0.46 C HETATM 1668 C2B HEM A 400 9.636 4.414 -1.986 1.00 0.51 C HETATM 1669 C3B HEM A 400 8.289 4.282 -1.990 1.00 0.49 C HETATM 1670 C4B HEM A 400 7.759 5.524 -2.498 1.00 0.42 C HETATM 1671 CMB HEM A 400 10.628 3.405 -1.513 1.00 0.60 C HETATM 1672 CAB HEM A 400 7.563 3.171 -1.594 1.00 0.55 C HETATM 1673 CBB HEM A 400 7.531 2.617 -0.167 1.00 1.07 C HETATM 1674 C1C HEM A 400 5.889 6.955 -3.133 1.00 0.37 C HETATM 1675 C2C HEM A 400 4.474 7.205 -3.287 1.00 0.40 C HETATM 1676 C3C HEM A 400 4.359 8.462 -3.775 1.00 0.40 C HETATM 1677 C4C HEM A 400 5.700 8.968 -3.923 1.00 0.36 C HETATM 1678 CMC HEM A 400 3.360 6.260 -2.985 1.00 0.47 C HETATM 1679 CAC HEM A 400 3.189 9.130 -4.081 1.00 0.45 C HETATM 1680 CBC HEM A 400 1.950 9.187 -3.182 1.00 0.52 C HETATM 1681 C1D HEM A 400 7.262 10.732 -4.559 1.00 0.39 C HETATM 1682 C2D HEM A 400 7.546 12.062 -5.048 1.00 0.45 C HETATM 1683 C3D HEM A 400 8.892 12.193 -5.050 1.00 0.47 C HETATM 1684 C4D HEM A 400 9.425 10.937 -4.570 1.00 0.42 C HETATM 1685 CMD HEM A 400 6.552 13.092 -5.476 1.00 0.50 C HETATM 1686 CAD HEM A 400 9.667 13.420 -5.410 1.00 0.55 C HETATM 1687 CBD HEM A 400 10.540 13.233 -6.652 1.00 0.70 C HETATM 1688 CGD HEM A 400 11.614 14.316 -6.676 1.00 1.09 C HETATM 1689 O1D HEM A 400 12.235 14.514 -7.738 1.00 1.52 O HETATM 1690 O2D HEM A 400 11.827 14.969 -5.631 1.00 1.79 O HETATM 1691 NA HEM A 400 10.547 8.407 -3.558 1.00 0.42 N HETATM 1692 NB HEM A 400 8.765 6.414 -2.811 1.00 0.40 N HETATM 1693 NC HEM A 400 6.640 8.041 -3.531 1.00 0.35 N HETATM 1694 ND HEM A 400 8.419 10.045 -4.260 1.00 0.37 N HETATM 1695 FE HEM A 400 8.593 8.228 -3.535 1.00 0.36 FE HETATM 0 HMA1 HEM A 400 14.878 7.564 -3.760 1.00 0.63 H new HETATM 0 HMA2 HEM A 400 13.935 6.159 -3.211 1.00 0.63 H new HETATM 0 HMA3 HEM A 400 14.407 7.422 -2.050 1.00 0.63 H new HETATM 0 HMB1 HEM A 400 10.177 2.788 -0.735 1.00 0.60 H new HETATM 0 HMB2 HEM A 400 11.502 3.916 -1.110 1.00 0.60 H new HETATM 0 HMB3 HEM A 400 10.930 2.773 -2.348 1.00 0.60 H new HETATM 0 HMC1 HEM A 400 3.700 5.236 -3.139 1.00 0.47 H new HETATM 0 HMC2 HEM A 400 2.519 6.466 -3.646 1.00 0.47 H new HETATM 0 HMC3 HEM A 400 3.046 6.386 -1.949 1.00 0.47 H new HETATM 0 HMD1 HEM A 400 5.666 12.599 -5.876 1.00 0.50 H new HETATM 0 HMD2 HEM A 400 6.993 13.725 -6.246 1.00 0.50 H new HETATM 0 HMD3 HEM A 400 6.271 13.705 -4.619 1.00 0.50 H new HETATM 0 HBB1 HEM A 400 6.932 1.736 0.062 1.00 1.07 H new HETATM 0 HBB2 HEM A 400 8.107 3.104 0.620 1.00 1.07 H new HETATM 0 HBC1 HEM A 400 1.068 9.740 -3.505 1.00 0.52 H new HETATM 0 HBC2 HEM A 400 1.951 8.675 -2.220 1.00 0.52 H new HETATM 0 HBA1 HEM A 400 13.770 11.392 -6.048 1.00 0.95 H new HETATM 0 HBA2 HEM A 400 13.014 9.828 -6.283 1.00 0.95 H new HETATM 0 HAA1 HEM A 400 14.772 9.703 -3.962 1.00 0.61 H new HETATM 0 HAA2 HEM A 400 13.707 11.086 -3.798 1.00 0.61 H new HETATM 0 HBD1 HEM A 400 9.929 13.290 -7.553 1.00 0.70 H new HETATM 0 HBD2 HEM A 400 11.002 12.246 -6.642 1.00 0.70 H new HETATM 0 HAD1 HEM A 400 10.299 13.704 -4.568 1.00 0.55 H new HETATM 0 HAD2 HEM A 400 8.974 14.244 -5.581 1.00 0.55 H new HETATM 0 HHA HEM A 400 11.460 11.440 -4.736 1.00 0.46 H new HETATM 0 HHB HEM A 400 12.017 5.595 -2.406 1.00 0.49 H new HETATM 0 HHC HEM A 400 5.727 5.002 -2.375 1.00 0.41 H new HETATM 0 HHD HEM A 400 5.167 10.859 -4.669 1.00 0.38 H new HETATM 0 HAB HEM A 400 6.973 2.655 -2.351 1.00 0.55 H new HETATM 0 HAC HEM A 400 3.144 9.656 -5.034 1.00 0.45 H new