USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 920 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 MET CE :methyl -148:sc= -0.196 (180deg=-1.46!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -69:sc= -5.24! USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0305 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 92:sc= 0.909 USER MOD Single : A 33 LYS NZ :NH3+ 156:sc= -0.129 (180deg=-1.16) USER MOD Single : A 39 TYR OH : rot -76:sc= -3.55! USER MOD Single : A 44 LYS NZ :NH3+ -158:sc= 0.104 (180deg=0.0563) USER MOD Single : A 48 LYS NZ :NH3+ 145:sc= -0.175 (180deg=-1.11!) USER MOD Single : A 49 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.272) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.19) USER MOD Single : B 3 MET CE :methyl 138:sc= -0.18 (180deg=-1.09) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot -140:sc= -0.268 USER MOD Single : B 6 THR OG1 : rot 180:sc=-0.00902 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 THR OG1 : rot 91:sc= 0.898 USER MOD Single : B 33 LYS NZ :NH3+ 150:sc= -0.197 (180deg=-1.15) USER MOD Single : B 39 TYR OH : rot -79:sc= -3.5! USER MOD Single : B 44 LYS NZ :NH3+ -159:sc= 0.1 (180deg=0.0578) USER MOD Single : B 48 LYS NZ :NH3+ 145:sc= -0.186 (180deg=-1.18!) USER MOD Single : B 49 LYS NZ :NH3+ -122:sc=-0.00448 (180deg=-0.261) USER MOD Single : B 50 TYR OH : rot 180:sc= -1.02 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -1.7! C(o=-1.7!,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 2 -0.675 -18.658 45.556 1.00 8.91 N ATOM 2 CA PHE A 2 -0.282 -17.681 44.499 1.00 8.45 C ATOM 3 C PHE A 2 -0.257 -18.367 43.130 1.00 7.63 C ATOM 4 O PHE A 2 0.347 -19.407 42.958 1.00 7.72 O ATOM 5 CB PHE A 2 1.121 -17.219 44.894 1.00 8.96 C ATOM 6 CG PHE A 2 1.564 -16.103 43.978 1.00 9.49 C ATOM 7 CD1 PHE A 2 1.213 -14.779 44.269 1.00 9.97 C ATOM 8 CD2 PHE A 2 2.326 -16.391 42.840 1.00 9.80 C ATOM 9 CE1 PHE A 2 1.624 -13.744 43.421 1.00 10.72 C ATOM 10 CE2 PHE A 2 2.738 -15.356 41.993 1.00 10.54 C ATOM 11 CZ PHE A 2 2.387 -14.033 42.283 1.00 10.99 C ATOM 0 HA PHE A 2 -0.980 -16.847 44.423 1.00 8.45 H new ATOM 0 HB2 PHE A 2 1.124 -16.876 45.929 1.00 8.96 H new ATOM 0 HB3 PHE A 2 1.820 -18.053 44.832 1.00 8.96 H new ATOM 0 HD1 PHE A 2 0.625 -14.557 45.147 1.00 9.97 H new ATOM 0 HD2 PHE A 2 2.596 -17.412 42.615 1.00 9.80 H new ATOM 0 HE1 PHE A 2 1.353 -12.723 43.644 1.00 10.72 H new ATOM 0 HE2 PHE A 2 3.327 -15.578 41.115 1.00 10.54 H new ATOM 0 HZ PHE A 2 2.705 -13.234 41.629 1.00 10.99 H new ATOM 21 N MET A 3 -0.898 -17.787 42.153 1.00 7.11 N ATOM 22 CA MET A 3 -0.898 -18.401 40.793 1.00 6.57 C ATOM 23 C MET A 3 -0.336 -17.413 39.770 1.00 5.78 C ATOM 24 O MET A 3 -0.551 -16.221 39.860 1.00 5.66 O ATOM 25 CB MET A 3 -2.368 -18.704 40.496 1.00 6.89 C ATOM 26 CG MET A 3 -2.914 -19.667 41.552 1.00 7.83 C ATOM 27 SD MET A 3 -1.881 -21.152 41.604 1.00 8.58 S ATOM 28 CE MET A 3 -2.167 -21.687 39.899 1.00 8.76 C ATOM 0 H MET A 3 -1.421 -16.916 42.236 1.00 7.11 H new ATOM 0 HA MET A 3 -0.279 -19.297 40.743 1.00 6.57 H new ATOM 0 HB2 MET A 3 -2.948 -17.781 40.496 1.00 6.89 H new ATOM 0 HB3 MET A 3 -2.467 -19.142 39.503 1.00 6.89 H new ATOM 0 HG2 MET A 3 -2.925 -19.184 42.529 1.00 7.83 H new ATOM 0 HG3 MET A 3 -3.944 -19.935 41.317 1.00 7.83 H new ATOM 0 HE1 MET A 3 -2.135 -22.775 39.849 1.00 8.76 H new ATOM 0 HE2 MET A 3 -3.145 -21.337 39.567 1.00 8.76 H new ATOM 0 HE3 MET A 3 -1.394 -21.271 39.253 1.00 8.76 H new ATOM 38 N LYS A 4 0.399 -17.895 38.804 1.00 5.58 N ATOM 39 CA LYS A 4 0.993 -16.978 37.791 1.00 5.16 C ATOM 40 C LYS A 4 0.055 -16.836 36.589 1.00 4.32 C ATOM 41 O LYS A 4 -0.610 -17.773 36.194 1.00 4.43 O ATOM 42 CB LYS A 4 2.302 -17.646 37.372 1.00 5.73 C ATOM 43 CG LYS A 4 3.240 -17.733 38.578 1.00 6.53 C ATOM 44 CD LYS A 4 4.589 -18.305 38.136 1.00 7.41 C ATOM 45 CE LYS A 4 5.481 -18.515 39.361 1.00 8.29 C ATOM 46 NZ LYS A 4 6.873 -18.478 38.833 1.00 8.85 N ATOM 0 H LYS A 4 0.613 -18.884 38.673 1.00 5.58 H new ATOM 0 HA LYS A 4 1.155 -15.975 38.187 1.00 5.16 H new ATOM 0 HB2 LYS A 4 2.104 -18.643 36.979 1.00 5.73 H new ATOM 0 HB3 LYS A 4 2.774 -17.076 36.572 1.00 5.73 H new ATOM 0 HG2 LYS A 4 3.378 -16.745 39.016 1.00 6.53 H new ATOM 0 HG3 LYS A 4 2.800 -18.365 39.349 1.00 6.53 H new ATOM 0 HD2 LYS A 4 4.442 -19.250 37.614 1.00 7.41 H new ATOM 0 HD3 LYS A 4 5.072 -17.625 37.434 1.00 7.41 H new ATOM 0 HE2 LYS A 4 5.320 -17.735 40.105 1.00 8.29 H new ATOM 0 HE3 LYS A 4 5.268 -19.467 39.846 1.00 8.29 H new ATOM 0 HZ1 LYS A 4 7.545 -18.615 39.615 1.00 8.85 H new ATOM 0 HZ2 LYS A 4 6.999 -19.236 38.132 1.00 8.85 H new ATOM 0 HZ3 LYS A 4 7.049 -17.557 38.383 1.00 8.85 H new ATOM 60 N SER A 5 0.025 -15.681 35.980 1.00 3.84 N ATOM 61 CA SER A 5 -0.837 -15.498 34.776 1.00 3.10 C ATOM 62 C SER A 5 -0.304 -16.348 33.621 1.00 2.34 C ATOM 63 O SER A 5 0.847 -16.734 33.607 1.00 2.87 O ATOM 64 CB SER A 5 -0.737 -14.012 34.440 1.00 3.66 C ATOM 65 OG SER A 5 0.528 -13.751 33.848 1.00 4.20 O ATOM 0 H SER A 5 0.558 -14.859 36.263 1.00 3.84 H new ATOM 0 HA SER A 5 -1.868 -15.805 34.951 1.00 3.10 H new ATOM 0 HB2 SER A 5 -1.537 -13.727 33.757 1.00 3.66 H new ATOM 0 HB3 SER A 5 -0.860 -13.414 35.343 1.00 3.66 H new ATOM 0 HG SER A 5 1.232 -13.855 34.522 1.00 4.20 H new ATOM 71 N THR A 6 -1.136 -16.652 32.662 1.00 1.82 N ATOM 72 CA THR A 6 -0.686 -17.494 31.516 1.00 1.98 C ATOM 73 C THR A 6 -1.762 -17.517 30.426 1.00 1.52 C ATOM 74 O THR A 6 -2.311 -18.554 30.111 1.00 2.20 O ATOM 75 CB THR A 6 -0.495 -18.896 32.100 1.00 2.86 C ATOM 76 OG1 THR A 6 -1.395 -19.083 33.183 1.00 3.36 O ATOM 77 CG2 THR A 6 0.945 -19.062 32.590 1.00 3.77 C ATOM 0 H THR A 6 -2.110 -16.353 32.622 1.00 1.82 H new ATOM 0 HA THR A 6 0.228 -17.113 31.060 1.00 1.98 H new ATOM 0 HB THR A 6 -0.696 -19.639 31.329 1.00 2.86 H new ATOM 0 HG1 THR A 6 -1.275 -19.981 33.557 1.00 3.36 H new ATOM 0 HG21 THR A 6 1.075 -20.062 33.005 1.00 3.77 H new ATOM 0 HG22 THR A 6 1.632 -18.923 31.755 1.00 3.77 H new ATOM 0 HG23 THR A 6 1.155 -18.320 33.360 1.00 3.77 H new ATOM 85 N GLY A 7 -2.060 -16.390 29.835 1.00 0.83 N ATOM 86 CA GLY A 7 -3.090 -16.384 28.756 1.00 0.46 C ATOM 87 C GLY A 7 -4.492 -16.330 29.371 1.00 0.43 C ATOM 88 O GLY A 7 -5.353 -17.116 29.033 1.00 0.49 O ATOM 0 H GLY A 7 -1.641 -15.485 30.049 1.00 0.83 H new ATOM 0 HA2 GLY A 7 -2.938 -15.526 28.101 1.00 0.46 H new ATOM 0 HA3 GLY A 7 -2.988 -17.277 28.140 1.00 0.46 H new ATOM 92 N ILE A 8 -4.731 -15.419 30.278 1.00 0.37 N ATOM 93 CA ILE A 8 -6.085 -15.335 30.905 1.00 0.37 C ATOM 94 C ILE A 8 -6.892 -14.220 30.238 1.00 0.32 C ATOM 95 O ILE A 8 -6.356 -13.198 29.875 1.00 0.30 O ATOM 96 CB ILE A 8 -5.827 -15.001 32.371 1.00 0.40 C ATOM 97 CG1 ILE A 8 -4.873 -16.036 32.971 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.150 -15.022 33.140 1.00 0.43 C ATOM 99 CD1 ILE A 8 -4.504 -15.626 34.397 1.00 1.36 C ATOM 0 H ILE A 8 -4.053 -14.733 30.610 1.00 0.37 H new ATOM 0 HA ILE A 8 -6.652 -16.259 30.796 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.380 -14.010 32.443 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.343 -17.020 32.974 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -3.974 -16.114 32.360 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -6.966 -14.783 34.187 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -7.830 -14.284 32.714 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.598 -16.013 33.067 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -3.824 -16.364 34.823 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -4.017 -14.651 34.381 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.407 -15.570 35.005 1.00 1.36 H new ATOM 111 N VAL A 9 -8.128 -14.474 29.924 1.00 0.32 N ATOM 112 CA VAL A 9 -8.893 -13.491 29.100 1.00 0.29 C ATOM 113 C VAL A 9 -10.036 -12.861 29.902 1.00 0.32 C ATOM 114 O VAL A 9 -10.709 -13.517 30.672 1.00 0.37 O ATOM 115 CB VAL A 9 -9.438 -14.296 27.922 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.280 -13.386 27.024 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.269 -14.868 27.111 1.00 0.30 C ATOM 0 H VAL A 9 -8.642 -15.311 30.197 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.262 -12.664 28.775 1.00 0.29 H new ATOM 0 HB VAL A 9 -10.058 -15.111 28.297 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.668 -13.962 26.184 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.111 -12.977 27.598 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.661 -12.571 26.650 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.657 -15.443 26.270 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.651 -14.051 26.738 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.668 -15.517 27.748 1.00 0.30 H new ATOM 127 N ARG A 10 -10.296 -11.602 29.669 1.00 0.31 N ATOM 128 CA ARG A 10 -11.436 -10.923 30.350 1.00 0.36 C ATOM 129 C ARG A 10 -12.378 -10.322 29.301 1.00 0.31 C ATOM 130 O ARG A 10 -12.010 -10.146 28.159 1.00 0.27 O ATOM 131 CB ARG A 10 -10.796 -9.822 31.197 1.00 0.40 C ATOM 132 CG ARG A 10 -11.873 -9.133 32.035 1.00 0.73 C ATOM 133 CD ARG A 10 -11.252 -7.961 32.800 1.00 0.86 C ATOM 134 NE ARG A 10 -10.215 -8.580 33.673 1.00 1.13 N ATOM 135 CZ ARG A 10 -10.569 -9.262 34.730 1.00 1.36 C ATOM 136 NH1 ARG A 10 -11.832 -9.407 35.025 1.00 1.61 N ATOM 137 NH2 ARG A 10 -9.656 -9.800 35.492 1.00 1.91 N ATOM 0 H ARG A 10 -9.763 -11.011 29.031 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.027 -11.606 30.961 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.031 -10.247 31.847 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.300 -9.095 30.554 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -12.677 -8.776 31.391 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.316 -9.843 32.733 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -10.812 -7.233 32.118 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -12.001 -7.433 33.390 1.00 0.86 H new ATOM 0 HE ARG A 10 -9.227 -8.471 33.445 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -12.546 -8.987 34.430 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -12.105 -9.940 35.851 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -8.669 -9.688 35.262 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -9.930 -10.333 36.318 1.00 1.91 H new ATOM 151 N LYS A 11 -13.592 -10.026 29.671 1.00 0.32 N ATOM 152 CA LYS A 11 -14.555 -9.459 28.680 1.00 0.29 C ATOM 153 C LYS A 11 -14.347 -7.950 28.531 1.00 0.26 C ATOM 154 O LYS A 11 -14.041 -7.258 29.482 1.00 0.27 O ATOM 155 CB LYS A 11 -15.939 -9.756 29.252 1.00 0.33 C ATOM 156 CG LYS A 11 -17.009 -9.398 28.218 1.00 1.02 C ATOM 157 CD LYS A 11 -18.397 -9.627 28.818 1.00 1.03 C ATOM 158 CE LYS A 11 -19.463 -9.387 27.747 1.00 1.81 C ATOM 159 NZ LYS A 11 -20.759 -9.414 28.480 1.00 2.21 N ATOM 0 H LYS A 11 -13.961 -10.151 30.614 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.422 -9.893 27.689 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.015 -10.810 29.519 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.096 -9.184 30.166 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -16.901 -8.357 27.913 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -16.883 -10.008 27.323 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -18.475 -10.644 29.202 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.556 -8.955 29.661 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -19.312 -8.430 27.247 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -19.429 -10.158 26.977 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -21.540 -9.256 27.811 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -20.879 -10.339 28.940 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -20.765 -8.665 29.202 1.00 2.21 H new ATOM 173 N VAL A 12 -14.530 -7.435 27.346 1.00 0.22 N ATOM 174 CA VAL A 12 -14.364 -5.966 27.133 1.00 0.21 C ATOM 175 C VAL A 12 -15.647 -5.235 27.529 1.00 0.20 C ATOM 176 O VAL A 12 -16.724 -5.582 27.089 1.00 0.20 O ATOM 177 CB VAL A 12 -14.116 -5.800 25.632 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.553 -4.405 25.359 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.123 -6.858 25.148 1.00 0.28 C ATOM 0 H VAL A 12 -14.787 -7.967 26.515 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.550 -5.556 27.731 1.00 0.21 H new ATOM 0 HB VAL A 12 -15.058 -5.924 25.097 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.376 -4.287 24.290 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.267 -3.653 25.694 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.614 -4.280 25.898 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.951 -6.734 24.079 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.180 -6.744 25.683 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.529 -7.852 25.337 1.00 0.28 H new ATOM 189 N ASP A 13 -15.545 -4.220 28.339 1.00 0.20 N ATOM 190 CA ASP A 13 -16.771 -3.471 28.737 1.00 0.21 C ATOM 191 C ASP A 13 -17.111 -2.420 27.670 1.00 0.22 C ATOM 192 O ASP A 13 -16.558 -2.421 26.588 1.00 0.22 O ATOM 193 CB ASP A 13 -16.435 -2.827 30.089 1.00 0.21 C ATOM 194 CG ASP A 13 -15.830 -1.438 29.889 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.636 -1.353 29.667 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.574 -0.475 29.960 1.00 0.55 O ATOM 0 H ASP A 13 -14.673 -3.877 28.741 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.647 -4.114 28.823 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.337 -2.752 30.696 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.735 -3.459 30.635 1.00 0.21 H new ATOM 201 N GLU A 14 -18.103 -1.611 27.916 1.00 0.23 N ATOM 202 CA GLU A 14 -18.583 -0.676 26.856 1.00 0.26 C ATOM 203 C GLU A 14 -17.454 0.231 26.349 1.00 0.26 C ATOM 204 O GLU A 14 -17.423 0.593 25.188 1.00 0.29 O ATOM 205 CB GLU A 14 -19.671 0.158 27.533 1.00 0.28 C ATOM 206 CG GLU A 14 -20.832 -0.751 27.941 1.00 1.22 C ATOM 207 CD GLU A 14 -21.949 0.094 28.556 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.719 1.269 28.786 1.00 1.99 O ATOM 209 OE2 GLU A 14 -23.017 -0.449 28.788 1.00 2.19 O ATOM 0 H GLU A 14 -18.603 -1.555 28.803 1.00 0.23 H new ATOM 0 HA GLU A 14 -18.950 -1.217 25.984 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -19.265 0.662 28.410 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -20.024 0.934 26.854 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -21.207 -1.292 27.072 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.489 -1.497 28.658 1.00 1.22 H new ATOM 216 N LEU A 15 -16.600 0.697 27.215 1.00 0.23 N ATOM 217 CA LEU A 15 -15.570 1.687 26.775 1.00 0.24 C ATOM 218 C LEU A 15 -14.353 0.994 26.153 1.00 0.22 C ATOM 219 O LEU A 15 -13.442 1.643 25.679 1.00 0.24 O ATOM 220 CB LEU A 15 -15.164 2.439 28.040 1.00 0.28 C ATOM 221 CG LEU A 15 -14.003 3.382 27.715 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.329 4.180 26.450 1.00 1.28 C ATOM 223 CD2 LEU A 15 -13.792 4.351 28.883 1.00 1.38 C ATOM 0 H LEU A 15 -16.567 0.440 28.202 1.00 0.23 H new ATOM 0 HA LEU A 15 -15.967 2.352 26.008 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -16.011 3.006 28.428 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.869 1.734 28.817 1.00 0.28 H new ATOM 0 HG LEU A 15 -13.097 2.798 27.554 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.501 4.851 26.220 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.483 3.494 25.617 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.235 4.764 26.611 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -12.965 5.023 28.653 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.700 4.933 29.041 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.560 3.787 29.786 1.00 1.38 H new ATOM 235 N GLY A 16 -14.291 -0.309 26.190 1.00 0.21 N ATOM 236 CA GLY A 16 -13.087 -0.995 25.643 1.00 0.19 C ATOM 237 C GLY A 16 -11.953 -0.944 26.672 1.00 0.20 C ATOM 238 O GLY A 16 -10.833 -0.580 26.362 1.00 0.20 O ATOM 0 H GLY A 16 -15.012 -0.922 26.570 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.325 -2.031 25.401 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.772 -0.515 24.716 1.00 0.19 H new ATOM 242 N ARG A 17 -12.244 -1.250 27.906 1.00 0.24 N ATOM 243 CA ARG A 17 -11.194 -1.167 28.958 1.00 0.26 C ATOM 244 C ARG A 17 -10.883 -2.564 29.499 1.00 0.26 C ATOM 245 O ARG A 17 -11.687 -3.470 29.412 1.00 0.26 O ATOM 246 CB ARG A 17 -11.799 -0.287 30.051 1.00 0.28 C ATOM 247 CG ARG A 17 -11.959 1.140 29.523 1.00 0.28 C ATOM 248 CD ARG A 17 -12.505 2.038 30.633 1.00 0.29 C ATOM 249 NE ARG A 17 -13.914 1.600 30.820 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.765 2.376 31.442 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.367 3.518 31.939 1.00 0.73 N ATOM 252 NH2 ARG A 17 -16.011 2.013 31.570 1.00 1.15 N ATOM 0 H ARG A 17 -13.162 -1.553 28.231 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.257 -0.757 28.580 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.767 -0.683 30.359 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.158 -0.291 30.933 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -10.999 1.519 29.174 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.635 1.149 28.668 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -11.930 1.924 31.552 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.452 3.090 30.352 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.217 0.694 30.463 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.393 3.805 31.842 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -15.031 4.122 32.424 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.325 1.122 31.185 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.672 2.620 32.055 1.00 1.15 H new ATOM 266 N VAL A 18 -9.714 -2.748 30.044 1.00 0.26 N ATOM 267 CA VAL A 18 -9.338 -4.088 30.576 1.00 0.25 C ATOM 268 C VAL A 18 -8.927 -3.966 32.044 1.00 0.24 C ATOM 269 O VAL A 18 -8.525 -2.914 32.496 1.00 0.24 O ATOM 270 CB VAL A 18 -8.150 -4.532 29.723 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.536 -4.481 28.244 1.00 0.28 C ATOM 272 CG2 VAL A 18 -6.969 -3.593 29.973 1.00 0.26 C ATOM 0 H VAL A 18 -9.000 -2.026 30.145 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.161 -4.802 30.530 1.00 0.25 H new ATOM 0 HB VAL A 18 -7.870 -5.551 29.990 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.689 -4.798 27.636 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.380 -5.147 28.065 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.815 -3.462 27.976 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.120 -3.907 29.366 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.250 -2.575 29.704 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.694 -3.627 31.027 1.00 0.26 H new ATOM 282 N VAL A 19 -9.078 -5.014 32.805 1.00 0.22 N ATOM 283 CA VAL A 19 -8.759 -4.925 34.258 1.00 0.21 C ATOM 284 C VAL A 19 -7.516 -5.753 34.586 1.00 0.22 C ATOM 285 O VAL A 19 -7.418 -6.910 34.231 1.00 0.23 O ATOM 286 CB VAL A 19 -9.984 -5.497 34.968 1.00 0.22 C ATOM 287 CG1 VAL A 19 -9.829 -5.325 36.480 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.238 -4.759 34.497 1.00 0.24 C ATOM 0 H VAL A 19 -9.407 -5.925 32.486 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.546 -3.902 34.568 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.075 -6.557 34.732 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.704 -5.734 36.984 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -8.937 -5.853 36.817 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.735 -4.265 36.718 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.112 -5.167 35.004 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.145 -3.698 34.731 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.351 -4.885 33.420 1.00 0.24 H new ATOM 298 N ILE A 20 -6.614 -5.199 35.350 1.00 0.22 N ATOM 299 CA ILE A 20 -5.436 -5.991 35.801 1.00 0.24 C ATOM 300 C ILE A 20 -5.825 -6.834 37.022 1.00 0.24 C ATOM 301 O ILE A 20 -6.405 -6.329 37.956 1.00 0.23 O ATOM 302 CB ILE A 20 -4.385 -4.935 36.167 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.627 -4.518 34.904 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.398 -5.502 37.188 1.00 0.24 C ATOM 305 CD1 ILE A 20 -4.572 -3.770 33.965 1.00 1.38 C ATOM 0 H ILE A 20 -6.642 -4.234 35.680 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.065 -6.683 35.045 1.00 0.24 H new ATOM 0 HB ILE A 20 -4.886 -4.070 36.602 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -2.781 -3.883 35.168 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -3.221 -5.397 34.404 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.658 -4.742 37.439 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -3.936 -5.796 38.089 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -2.896 -6.372 36.765 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -4.032 -3.473 33.066 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -5.403 -4.420 33.691 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -4.956 -2.882 34.467 1.00 1.38 H new ATOM 317 N PRO A 21 -5.452 -8.085 36.990 1.00 0.28 N ATOM 318 CA PRO A 21 -5.728 -8.985 38.139 1.00 0.30 C ATOM 319 C PRO A 21 -5.109 -8.411 39.414 1.00 0.28 C ATOM 320 O PRO A 21 -4.055 -7.813 39.387 1.00 0.27 O ATOM 321 CB PRO A 21 -5.063 -10.309 37.753 1.00 0.35 C ATOM 322 CG PRO A 21 -4.208 -10.011 36.558 1.00 0.35 C ATOM 323 CD PRO A 21 -4.750 -8.768 35.907 1.00 0.32 C ATOM 0 HA PRO A 21 -6.793 -9.106 38.338 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.462 -10.698 38.575 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -5.810 -11.067 37.518 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.170 -9.865 36.857 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.223 -10.847 35.859 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -3.951 -8.151 35.496 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.422 -9.008 35.083 1.00 0.32 H new ATOM 331 N ILE A 22 -5.771 -8.555 40.529 1.00 0.30 N ATOM 332 CA ILE A 22 -5.229 -7.972 41.793 1.00 0.30 C ATOM 333 C ILE A 22 -3.813 -8.481 42.048 1.00 0.32 C ATOM 334 O ILE A 22 -2.978 -7.773 42.576 1.00 0.32 O ATOM 335 CB ILE A 22 -6.180 -8.450 42.890 1.00 0.35 C ATOM 336 CG1 ILE A 22 -5.913 -7.666 44.176 1.00 0.41 C ATOM 337 CG2 ILE A 22 -5.954 -9.941 43.148 1.00 0.42 C ATOM 338 CD1 ILE A 22 -6.237 -6.188 43.953 1.00 1.11 C ATOM 0 H ILE A 22 -6.659 -9.048 40.622 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.169 -6.884 41.752 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.210 -8.287 42.572 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.521 -8.063 44.989 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -4.870 -7.779 44.473 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -6.632 -10.282 43.930 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.145 -10.502 42.233 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -4.924 -10.103 43.465 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -6.046 -5.631 44.870 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -5.610 -5.795 43.153 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -7.286 -6.083 43.677 1.00 1.11 H new ATOM 350 N GLU A 23 -3.521 -9.686 41.656 1.00 0.36 N ATOM 351 CA GLU A 23 -2.140 -10.207 41.860 1.00 0.40 C ATOM 352 C GLU A 23 -1.132 -9.296 41.156 1.00 0.37 C ATOM 353 O GLU A 23 -0.051 -9.043 41.650 1.00 0.39 O ATOM 354 CB GLU A 23 -2.140 -11.593 41.216 1.00 0.44 C ATOM 355 CG GLU A 23 -0.795 -12.273 41.477 1.00 1.22 C ATOM 356 CD GLU A 23 -0.746 -13.615 40.744 1.00 1.62 C ATOM 357 OE1 GLU A 23 -1.718 -13.943 40.085 1.00 2.37 O ATOM 358 OE2 GLU A 23 0.264 -14.290 40.855 1.00 2.01 O ATOM 0 H GLU A 23 -4.171 -10.330 41.206 1.00 0.36 H new ATOM 0 HA GLU A 23 -1.863 -10.246 42.913 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -2.951 -12.196 41.625 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -2.315 -11.508 40.144 1.00 0.44 H new ATOM 0 HG2 GLU A 23 0.019 -11.632 41.138 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -0.656 -12.427 42.547 1.00 1.22 H new ATOM 365 N LEU A 24 -1.502 -8.766 40.024 1.00 0.34 N ATOM 366 CA LEU A 24 -0.596 -7.836 39.295 1.00 0.33 C ATOM 367 C LEU A 24 -0.668 -6.434 39.899 1.00 0.29 C ATOM 368 O LEU A 24 0.317 -5.729 39.957 1.00 0.29 O ATOM 369 CB LEU A 24 -1.102 -7.830 37.852 1.00 0.33 C ATOM 370 CG LEU A 24 -0.899 -9.213 37.230 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.263 -9.164 35.744 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.565 -9.627 37.380 1.00 1.75 C ATOM 0 H LEU A 24 -2.399 -8.938 39.570 1.00 0.34 H new ATOM 0 HA LEU A 24 0.446 -8.149 39.357 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.158 -7.561 37.828 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.568 -7.078 37.272 1.00 0.33 H new ATOM 0 HG LEU A 24 -1.538 -9.936 37.737 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.118 -10.149 35.301 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.306 -8.867 35.634 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.624 -8.441 35.237 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.712 -10.612 36.937 1.00 1.75 H new ATOM 0 HD22 LEU A 24 1.202 -8.903 36.872 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.827 -9.662 38.438 1.00 1.75 H new ATOM 384 N ARG A 25 -1.800 -6.049 40.425 1.00 0.25 N ATOM 385 CA ARG A 25 -1.872 -4.720 41.099 1.00 0.23 C ATOM 386 C ARG A 25 -0.845 -4.672 42.228 1.00 0.25 C ATOM 387 O ARG A 25 -0.184 -3.675 42.437 1.00 0.25 O ATOM 388 CB ARG A 25 -3.288 -4.613 41.680 1.00 0.22 C ATOM 389 CG ARG A 25 -4.337 -4.660 40.567 1.00 0.21 C ATOM 390 CD ARG A 25 -5.711 -4.321 41.161 1.00 0.22 C ATOM 391 NE ARG A 25 -6.704 -4.857 40.194 1.00 0.23 N ATOM 392 CZ ARG A 25 -7.935 -5.079 40.574 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.302 -4.819 41.800 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.801 -5.560 39.724 1.00 0.27 N ATOM 0 H ARG A 25 -2.666 -6.588 40.418 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.663 -3.902 40.409 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.460 -5.428 42.383 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.387 -3.683 42.240 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.082 -3.951 39.779 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.358 -5.650 40.111 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.836 -4.774 42.144 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.829 -3.245 41.289 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.425 -5.052 39.233 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.627 -4.441 42.465 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.263 -4.994 42.092 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.517 -5.762 38.765 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.762 -5.734 40.018 1.00 0.27 H new ATOM 408 N ARG A 26 -0.747 -5.725 42.989 1.00 0.29 N ATOM 409 CA ARG A 26 0.194 -5.720 44.147 1.00 0.33 C ATOM 410 C ARG A 26 1.646 -5.831 43.669 1.00 0.35 C ATOM 411 O ARG A 26 2.506 -5.081 44.081 1.00 0.35 O ATOM 412 CB ARG A 26 -0.188 -6.951 44.969 1.00 0.37 C ATOM 413 CG ARG A 26 -1.618 -6.793 45.490 1.00 1.07 C ATOM 414 CD ARG A 26 -1.670 -5.645 46.500 1.00 1.25 C ATOM 415 NE ARG A 26 -3.060 -5.665 47.035 1.00 1.85 N ATOM 416 CZ ARG A 26 -3.497 -4.671 47.761 1.00 2.32 C ATOM 417 NH1 ARG A 26 -2.721 -3.654 48.021 1.00 2.40 N ATOM 418 NH2 ARG A 26 -4.716 -4.694 48.229 1.00 3.26 N ATOM 0 H ARG A 26 -1.276 -6.588 42.861 1.00 0.29 H new ATOM 0 HA ARG A 26 0.124 -4.797 44.723 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -0.110 -7.849 44.356 1.00 0.37 H new ATOM 0 HB3 ARG A 26 0.503 -7.073 45.803 1.00 0.37 H new ATOM 0 HG2 ARG A 26 -2.298 -6.594 44.662 1.00 1.07 H new ATOM 0 HG3 ARG A 26 -1.950 -7.719 45.959 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -0.939 -5.786 47.296 1.00 1.25 H new ATOM 0 HD3 ARG A 26 -1.444 -4.691 46.025 1.00 1.25 H new ATOM 0 HE ARG A 26 -3.672 -6.456 46.834 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -1.769 -3.633 47.657 1.00 2.40 H new ATOM 0 HH12 ARG A 26 -3.067 -2.880 48.588 1.00 2.40 H new ATOM 0 HH21 ARG A 26 -5.325 -5.487 48.027 1.00 3.26 H new ATOM 0 HH22 ARG A 26 -5.059 -3.919 48.796 1.00 3.26 H new ATOM 432 N THR A 27 1.927 -6.782 42.821 1.00 0.37 N ATOM 433 CA THR A 27 3.330 -6.973 42.347 1.00 0.41 C ATOM 434 C THR A 27 3.811 -5.763 41.543 1.00 0.39 C ATOM 435 O THR A 27 4.989 -5.462 41.508 1.00 0.42 O ATOM 436 CB THR A 27 3.280 -8.218 41.459 1.00 0.44 C ATOM 437 OG1 THR A 27 2.725 -9.300 42.194 1.00 0.61 O ATOM 438 CG2 THR A 27 4.695 -8.580 41.003 1.00 0.77 C ATOM 0 H THR A 27 1.246 -7.436 42.435 1.00 0.37 H new ATOM 0 HA THR A 27 4.025 -7.084 43.179 1.00 0.41 H new ATOM 0 HB THR A 27 2.660 -8.016 40.585 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.756 -9.328 42.053 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.658 -9.467 40.371 1.00 0.77 H new ATOM 0 HG22 THR A 27 5.119 -7.749 40.439 1.00 0.77 H new ATOM 0 HG23 THR A 27 5.318 -8.782 41.875 1.00 0.77 H new ATOM 446 N LEU A 28 2.926 -5.093 40.860 1.00 0.35 N ATOM 447 CA LEU A 28 3.359 -3.943 40.016 1.00 0.34 C ATOM 448 C LEU A 28 3.397 -2.652 40.840 1.00 0.32 C ATOM 449 O LEU A 28 3.825 -1.619 40.363 1.00 0.33 O ATOM 450 CB LEU A 28 2.306 -3.851 38.909 1.00 0.32 C ATOM 451 CG LEU A 28 2.790 -2.888 37.822 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.932 -3.538 37.036 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.633 -2.572 36.871 1.00 1.05 C ATOM 0 H LEU A 28 1.925 -5.290 40.849 1.00 0.35 H new ATOM 0 HA LEU A 28 4.363 -4.081 39.615 1.00 0.34 H new ATOM 0 HB2 LEU A 28 2.125 -4.837 38.482 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.359 -3.504 39.322 1.00 0.32 H new ATOM 0 HG LEU A 28 3.145 -1.967 38.284 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.277 -2.853 36.262 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.756 -3.766 37.712 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.577 -4.459 36.573 1.00 0.70 H new ATOM 0 HD21 LEU A 28 1.976 -1.886 36.096 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.279 -3.494 36.409 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.819 -2.111 37.430 1.00 1.05 H new ATOM 465 N GLY A 29 2.978 -2.700 42.074 1.00 0.32 N ATOM 466 CA GLY A 29 3.016 -1.471 42.917 1.00 0.32 C ATOM 467 C GLY A 29 2.067 -0.422 42.340 1.00 0.29 C ATOM 468 O GLY A 29 2.409 0.738 42.221 1.00 0.29 O ATOM 0 H GLY A 29 2.612 -3.533 42.534 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.729 -1.711 43.941 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.031 -1.076 42.955 1.00 0.32 H new ATOM 472 N ILE A 30 0.893 -0.823 41.948 1.00 0.27 N ATOM 473 CA ILE A 30 -0.058 0.150 41.336 1.00 0.24 C ATOM 474 C ILE A 30 -1.290 0.332 42.224 1.00 0.23 C ATOM 475 O ILE A 30 -1.810 -0.608 42.791 1.00 0.26 O ATOM 476 CB ILE A 30 -0.452 -0.458 39.993 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.806 -0.697 39.154 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.382 0.502 39.250 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.656 0.576 39.138 1.00 0.29 C ATOM 0 H ILE A 30 0.548 -1.780 42.023 1.00 0.27 H new ATOM 0 HA ILE A 30 0.393 1.135 41.219 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.965 -1.405 40.160 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.380 -1.526 39.568 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.531 -0.976 38.137 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.663 0.067 38.291 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.278 0.675 39.846 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.869 1.449 39.083 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.552 0.408 38.541 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.079 1.393 38.704 1.00 0.29 H new ATOM 0 HD13 ILE A 30 1.942 0.835 40.157 1.00 0.29 H new ATOM 491 N ALA A 31 -1.735 1.546 42.370 1.00 0.22 N ATOM 492 CA ALA A 31 -2.906 1.825 43.247 1.00 0.23 C ATOM 493 C ALA A 31 -3.794 2.896 42.609 1.00 0.20 C ATOM 494 O ALA A 31 -3.406 3.559 41.668 1.00 0.18 O ATOM 495 CB ALA A 31 -2.307 2.346 44.553 1.00 0.23 C ATOM 0 H ALA A 31 -1.334 2.366 41.915 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.525 0.942 43.403 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -3.109 2.575 45.255 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.655 1.586 44.983 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.730 3.249 44.354 1.00 0.23 H new ATOM 501 N GLU A 32 -4.987 3.066 43.105 1.00 0.22 N ATOM 502 CA GLU A 32 -5.899 4.086 42.516 1.00 0.21 C ATOM 503 C GLU A 32 -5.209 5.454 42.458 1.00 0.19 C ATOM 504 O GLU A 32 -4.458 5.817 43.340 1.00 0.20 O ATOM 505 CB GLU A 32 -7.099 4.135 43.462 1.00 0.25 C ATOM 506 CG GLU A 32 -8.169 5.061 42.880 1.00 0.27 C ATOM 507 CD GLU A 32 -9.321 5.200 43.876 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.235 4.607 44.939 1.00 1.12 O ATOM 509 OE2 GLU A 32 -10.270 5.899 43.561 1.00 1.13 O ATOM 0 H GLU A 32 -5.370 2.543 43.892 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.189 3.836 41.496 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.506 3.134 43.602 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.788 4.493 44.443 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.740 6.040 42.665 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.537 4.660 41.936 1.00 0.27 H new ATOM 516 N LYS A 33 -5.507 6.230 41.447 1.00 0.19 N ATOM 517 CA LYS A 33 -4.938 7.611 41.331 1.00 0.20 C ATOM 518 C LYS A 33 -3.466 7.567 40.904 1.00 0.18 C ATOM 519 O LYS A 33 -2.881 8.582 40.580 1.00 0.21 O ATOM 520 CB LYS A 33 -5.072 8.236 42.724 1.00 0.23 C ATOM 521 CG LYS A 33 -4.942 9.757 42.613 1.00 0.29 C ATOM 522 CD LYS A 33 -5.006 10.377 44.011 1.00 0.87 C ATOM 523 CE LYS A 33 -5.039 11.903 43.893 1.00 1.35 C ATOM 524 NZ LYS A 33 -6.349 12.213 43.254 1.00 1.88 N ATOM 0 H LYS A 33 -6.130 5.963 40.685 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.465 8.192 40.574 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -6.035 7.973 43.162 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.302 7.842 43.387 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -4.000 10.018 42.130 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.741 10.157 41.989 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.893 10.023 44.537 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -4.142 10.066 44.598 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -4.955 12.376 44.871 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -4.209 12.270 43.289 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -6.633 13.184 43.497 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -6.261 12.126 42.221 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -7.069 11.546 43.597 1.00 1.88 H new ATOM 538 N ASP A 34 -2.891 6.400 40.795 1.00 0.16 N ATOM 539 CA ASP A 34 -1.499 6.312 40.265 1.00 0.16 C ATOM 540 C ASP A 34 -1.509 6.450 38.743 1.00 0.19 C ATOM 541 O ASP A 34 -2.552 6.444 38.120 1.00 0.20 O ATOM 542 CB ASP A 34 -0.999 4.931 40.678 1.00 0.17 C ATOM 543 CG ASP A 34 -0.729 4.922 42.183 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.792 5.982 42.784 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.467 3.855 42.706 1.00 1.08 O ATOM 0 H ASP A 34 -3.320 5.510 41.048 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.858 7.104 40.653 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.740 4.172 40.425 1.00 0.17 H new ATOM 0 HB3 ASP A 34 -0.089 4.682 40.132 1.00 0.17 H new ATOM 550 N ALA A 35 -0.366 6.640 38.144 1.00 0.22 N ATOM 551 CA ALA A 35 -0.331 6.855 36.668 1.00 0.28 C ATOM 552 C ALA A 35 0.198 5.609 35.950 1.00 0.20 C ATOM 553 O ALA A 35 1.258 5.102 36.262 1.00 0.16 O ATOM 554 CB ALA A 35 0.618 8.037 36.467 1.00 0.36 C ATOM 0 H ALA A 35 0.542 6.656 38.609 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.322 7.049 36.259 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.700 8.261 35.403 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.229 8.909 36.993 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.602 7.785 36.861 1.00 0.36 H new ATOM 560 N LEU A 36 -0.487 5.177 34.927 1.00 0.24 N ATOM 561 CA LEU A 36 0.016 4.037 34.105 1.00 0.21 C ATOM 562 C LEU A 36 0.518 4.565 32.762 1.00 0.20 C ATOM 563 O LEU A 36 -0.132 5.374 32.136 1.00 0.23 O ATOM 564 CB LEU A 36 -1.202 3.141 33.876 1.00 0.34 C ATOM 565 CG LEU A 36 -1.933 2.894 35.195 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.368 2.464 34.891 1.00 0.55 C ATOM 567 CD2 LEU A 36 -1.222 1.785 35.973 1.00 0.56 C ATOM 0 H LEU A 36 -1.379 5.566 34.622 1.00 0.24 H new ATOM 0 HA LEU A 36 0.834 3.505 34.591 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.877 3.609 33.160 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.887 2.191 33.443 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.938 3.806 35.792 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.900 2.285 35.825 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.873 3.251 34.331 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.356 1.549 34.299 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.743 1.609 36.914 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -1.221 0.869 35.382 1.00 0.56 H new ATOM 0 HD23 LEU A 36 -0.195 2.086 36.178 1.00 0.56 H new ATOM 579 N GLU A 37 1.593 4.032 32.250 1.00 0.19 N ATOM 580 CA GLU A 37 2.024 4.436 30.882 1.00 0.21 C ATOM 581 C GLU A 37 1.674 3.334 29.879 1.00 0.19 C ATOM 582 O GLU A 37 1.758 2.159 30.178 1.00 0.20 O ATOM 583 CB GLU A 37 3.536 4.633 30.971 1.00 0.25 C ATOM 584 CG GLU A 37 4.059 5.173 29.639 1.00 0.26 C ATOM 585 CD GLU A 37 5.582 5.294 29.700 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.140 4.992 30.742 1.00 1.08 O ATOM 587 OE2 GLU A 37 6.166 5.688 28.703 1.00 1.17 O ATOM 0 H GLU A 37 2.185 3.343 32.713 1.00 0.19 H new ATOM 0 HA GLU A 37 1.526 5.345 30.544 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.776 5.327 31.776 1.00 0.25 H new ATOM 0 HB3 GLU A 37 4.023 3.687 31.209 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.769 4.508 28.826 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.614 6.146 29.429 1.00 0.26 H new ATOM 594 N ILE A 38 1.186 3.712 28.732 1.00 0.21 N ATOM 595 CA ILE A 38 0.711 2.703 27.745 1.00 0.20 C ATOM 596 C ILE A 38 1.618 2.687 26.514 1.00 0.20 C ATOM 597 O ILE A 38 1.970 3.719 25.968 1.00 0.24 O ATOM 598 CB ILE A 38 -0.698 3.157 27.362 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.566 3.239 28.620 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.312 2.152 26.384 1.00 0.73 C ATOM 601 CD1 ILE A 38 -2.931 3.830 28.263 1.00 0.84 C ATOM 0 H ILE A 38 1.095 4.683 28.433 1.00 0.21 H new ATOM 0 HA ILE A 38 0.721 1.694 28.156 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.647 4.138 26.889 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.690 2.247 29.054 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.076 3.857 29.373 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.316 2.476 26.112 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.694 2.092 25.488 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.363 1.170 26.855 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.548 3.888 29.160 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.798 4.829 27.849 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.421 3.194 27.526 1.00 0.84 H new ATOM 613 N TYR A 39 2.003 1.515 26.092 1.00 0.19 N ATOM 614 CA TYR A 39 2.900 1.374 24.912 1.00 0.21 C ATOM 615 C TYR A 39 2.166 0.657 23.777 1.00 0.20 C ATOM 616 O TYR A 39 1.283 -0.141 24.014 1.00 0.20 O ATOM 617 CB TYR A 39 4.046 0.501 25.409 1.00 0.24 C ATOM 618 CG TYR A 39 4.997 1.310 26.249 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.581 1.847 27.474 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.300 1.508 25.802 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.479 2.590 28.250 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.201 2.248 26.574 1.00 0.36 C ATOM 623 CZ TYR A 39 6.791 2.792 27.799 1.00 0.39 C ATOM 624 OH TYR A 39 7.679 3.528 28.556 1.00 0.45 O ATOM 0 H TYR A 39 1.728 0.633 26.524 1.00 0.19 H new ATOM 0 HA TYR A 39 3.236 2.337 24.529 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.651 -0.330 25.994 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.577 0.070 24.561 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.570 1.688 27.819 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.616 1.090 24.858 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.161 3.007 29.194 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.212 2.400 26.227 1.00 0.36 H new ATOM 0 HH TYR A 39 7.468 4.481 28.473 1.00 0.45 H new ATOM 634 N VAL A 40 2.613 0.823 22.565 1.00 0.21 N ATOM 635 CA VAL A 40 2.024 0.024 21.451 1.00 0.22 C ATOM 636 C VAL A 40 3.125 -0.650 20.627 1.00 0.22 C ATOM 637 O VAL A 40 4.003 -0.001 20.095 1.00 0.23 O ATOM 638 CB VAL A 40 1.257 1.031 20.599 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.719 0.334 19.348 1.00 0.27 C ATOM 640 CG2 VAL A 40 0.087 1.592 21.412 1.00 0.27 C ATOM 0 H VAL A 40 3.354 1.471 22.297 1.00 0.21 H new ATOM 0 HA VAL A 40 1.379 -0.773 21.820 1.00 0.22 H new ATOM 0 HB VAL A 40 1.922 1.843 20.305 1.00 0.25 H new ATOM 0 HG11 VAL A 40 0.171 1.052 18.739 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.550 -0.071 18.771 1.00 0.27 H new ATOM 0 HG13 VAL A 40 0.052 -0.476 19.642 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.464 2.312 20.807 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.577 0.778 21.703 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.469 2.086 22.306 1.00 0.27 H new ATOM 650 N ASP A 41 3.060 -1.946 20.489 1.00 0.21 N ATOM 651 CA ASP A 41 4.072 -2.665 19.663 1.00 0.22 C ATOM 652 C ASP A 41 3.432 -3.877 18.977 1.00 0.25 C ATOM 653 O ASP A 41 2.755 -4.664 19.604 1.00 0.27 O ATOM 654 CB ASP A 41 5.146 -3.119 20.653 1.00 0.20 C ATOM 655 CG ASP A 41 4.614 -4.285 21.487 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.435 -4.272 21.803 1.00 1.69 O ATOM 657 OD2 ASP A 41 5.394 -5.170 21.796 1.00 1.77 O ATOM 0 H ASP A 41 2.348 -2.540 20.914 1.00 0.21 H new ATOM 0 HA ASP A 41 4.484 -2.033 18.876 1.00 0.22 H new ATOM 0 HB2 ASP A 41 6.045 -3.423 20.116 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.428 -2.292 21.304 1.00 0.20 H new ATOM 662 N ASP A 42 3.721 -4.089 17.724 1.00 0.27 N ATOM 663 CA ASP A 42 3.219 -5.313 17.035 1.00 0.33 C ATOM 664 C ASP A 42 1.744 -5.573 17.376 1.00 0.33 C ATOM 665 O ASP A 42 1.358 -6.683 17.683 1.00 0.37 O ATOM 666 CB ASP A 42 4.100 -6.440 17.566 1.00 0.38 C ATOM 667 CG ASP A 42 3.639 -7.774 16.976 1.00 0.45 C ATOM 668 OD1 ASP A 42 2.747 -7.755 16.142 1.00 1.14 O ATOM 669 OD2 ASP A 42 4.185 -8.793 17.365 1.00 1.22 O ATOM 0 H ASP A 42 4.285 -3.467 17.145 1.00 0.27 H new ATOM 0 HA ASP A 42 3.268 -5.221 15.950 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.142 -6.255 17.303 1.00 0.38 H new ATOM 0 HB3 ASP A 42 4.047 -6.475 18.654 1.00 0.38 H new ATOM 674 N GLU A 43 0.909 -4.577 17.251 1.00 0.30 N ATOM 675 CA GLU A 43 -0.555 -4.784 17.480 1.00 0.31 C ATOM 676 C GLU A 43 -0.812 -5.296 18.900 1.00 0.30 C ATOM 677 O GLU A 43 -1.911 -5.686 19.241 1.00 0.31 O ATOM 678 CB GLU A 43 -0.978 -5.829 16.446 1.00 0.35 C ATOM 679 CG GLU A 43 -0.706 -5.293 15.039 1.00 1.17 C ATOM 680 CD GLU A 43 -1.201 -6.302 14.002 1.00 1.34 C ATOM 681 OE1 GLU A 43 -1.560 -7.399 14.396 1.00 1.93 O ATOM 682 OE2 GLU A 43 -1.213 -5.961 12.831 1.00 1.68 O ATOM 0 H GLU A 43 1.176 -3.625 17.000 1.00 0.30 H new ATOM 0 HA GLU A 43 -1.118 -3.857 17.376 1.00 0.31 H new ATOM 0 HB2 GLU A 43 -0.429 -6.757 16.606 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -2.037 -6.061 16.560 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -1.209 -4.336 14.900 1.00 1.17 H new ATOM 0 HG3 GLU A 43 0.361 -5.114 14.907 1.00 1.17 H new ATOM 689 N LYS A 44 0.169 -5.215 19.751 1.00 0.29 N ATOM 690 CA LYS A 44 -0.041 -5.602 21.176 1.00 0.30 C ATOM 691 C LYS A 44 0.174 -4.391 22.085 1.00 0.27 C ATOM 692 O LYS A 44 0.967 -3.521 21.792 1.00 0.26 O ATOM 693 CB LYS A 44 1.012 -6.673 21.465 1.00 0.34 C ATOM 694 CG LYS A 44 0.697 -7.937 20.663 1.00 1.29 C ATOM 695 CD LYS A 44 1.673 -9.045 21.064 1.00 1.23 C ATOM 696 CE LYS A 44 1.383 -10.304 20.245 1.00 1.90 C ATOM 697 NZ LYS A 44 2.475 -10.366 19.234 1.00 2.01 N ATOM 0 H LYS A 44 1.111 -4.897 19.523 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.052 -5.968 21.355 1.00 0.30 H new ATOM 0 HB2 LYS A 44 2.003 -6.302 21.203 1.00 0.34 H new ATOM 0 HB3 LYS A 44 1.029 -6.902 22.531 1.00 0.34 H new ATOM 0 HG2 LYS A 44 -0.329 -8.254 20.850 1.00 1.29 H new ATOM 0 HG3 LYS A 44 0.778 -7.734 19.595 1.00 1.29 H new ATOM 0 HD2 LYS A 44 2.699 -8.718 20.896 1.00 1.23 H new ATOM 0 HD3 LYS A 44 1.577 -9.261 22.128 1.00 1.23 H new ATOM 0 HE2 LYS A 44 1.378 -11.193 20.876 1.00 1.90 H new ATOM 0 HE3 LYS A 44 0.405 -10.247 19.767 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 2.169 -10.947 18.427 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 2.698 -9.405 18.904 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 3.322 -10.790 19.664 1.00 2.01 H new ATOM 711 N ILE A 45 -0.535 -4.317 23.175 1.00 0.28 N ATOM 712 CA ILE A 45 -0.374 -3.149 24.085 1.00 0.27 C ATOM 713 C ILE A 45 0.532 -3.518 25.263 1.00 0.27 C ATOM 714 O ILE A 45 0.289 -4.482 25.962 1.00 0.29 O ATOM 715 CB ILE A 45 -1.788 -2.847 24.578 1.00 0.30 C ATOM 716 CG1 ILE A 45 -2.711 -2.638 23.376 1.00 0.34 C ATOM 717 CG2 ILE A 45 -1.771 -1.579 25.433 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.166 -2.646 23.847 1.00 1.25 C ATOM 0 H ILE A 45 -1.218 -5.013 23.475 1.00 0.28 H new ATOM 0 HA ILE A 45 0.083 -2.293 23.588 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.151 -3.683 25.176 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -2.481 -1.692 22.887 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -2.551 -3.425 22.639 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -2.780 -1.364 25.785 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.112 -1.726 26.289 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -1.409 -0.742 24.836 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -4.826 -2.497 22.992 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.391 -3.603 24.317 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.319 -1.843 24.568 1.00 1.25 H new ATOM 730 N ILE A 46 1.532 -2.722 25.528 1.00 0.26 N ATOM 731 CA ILE A 46 2.407 -2.979 26.709 1.00 0.29 C ATOM 732 C ILE A 46 2.156 -1.922 27.788 1.00 0.29 C ATOM 733 O ILE A 46 2.379 -0.749 27.584 1.00 0.31 O ATOM 734 CB ILE A 46 3.838 -2.879 26.170 1.00 0.32 C ATOM 735 CG1 ILE A 46 4.141 -4.109 25.315 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.833 -2.800 27.332 1.00 0.37 C ATOM 737 CD1 ILE A 46 5.196 -3.747 24.272 1.00 0.50 C ATOM 0 H ILE A 46 1.782 -1.902 24.976 1.00 0.26 H new ATOM 0 HA ILE A 46 2.215 -3.949 27.168 1.00 0.29 H new ATOM 0 HB ILE A 46 3.933 -1.978 25.564 1.00 0.32 H new ATOM 0 HG12 ILE A 46 4.498 -4.925 25.944 1.00 0.44 H new ATOM 0 HG13 ILE A 46 3.233 -4.459 24.825 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.847 -2.729 26.939 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.616 -1.920 27.937 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.745 -3.695 27.948 1.00 0.37 H new ATOM 0 HD11 ILE A 46 5.416 -4.621 23.659 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.820 -2.944 23.638 1.00 0.50 H new ATOM 0 HD13 ILE A 46 6.106 -3.417 24.774 1.00 0.50 H new ATOM 749 N LEU A 47 1.674 -2.325 28.928 1.00 0.28 N ATOM 750 CA LEU A 47 1.390 -1.334 30.006 1.00 0.29 C ATOM 751 C LEU A 47 2.370 -1.521 31.163 1.00 0.31 C ATOM 752 O LEU A 47 2.626 -2.627 31.598 1.00 0.39 O ATOM 753 CB LEU A 47 -0.033 -1.632 30.466 1.00 0.34 C ATOM 754 CG LEU A 47 -0.990 -1.549 29.274 1.00 0.90 C ATOM 755 CD1 LEU A 47 -0.895 -2.832 28.447 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.423 -1.380 29.786 1.00 1.24 C ATOM 0 H LEU A 47 1.464 -3.295 29.162 1.00 0.28 H new ATOM 0 HA LEU A 47 1.496 -0.308 29.655 1.00 0.29 H new ATOM 0 HB2 LEU A 47 -0.080 -2.625 30.914 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.333 -0.921 31.235 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.719 -0.697 28.651 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.577 -2.770 27.599 1.00 1.66 H new ATOM 0 HD12 LEU A 47 0.125 -2.956 28.083 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.165 -3.686 29.068 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.107 -1.321 28.940 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.690 -2.234 30.409 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.494 -0.465 30.375 1.00 1.24 H new ATOM 768 N LYS A 48 2.914 -0.451 31.664 1.00 0.29 N ATOM 769 CA LYS A 48 3.876 -0.562 32.799 1.00 0.35 C ATOM 770 C LYS A 48 3.686 0.602 33.773 1.00 0.28 C ATOM 771 O LYS A 48 3.117 1.619 33.434 1.00 0.25 O ATOM 772 CB LYS A 48 5.264 -0.502 32.157 1.00 0.47 C ATOM 773 CG LYS A 48 5.485 0.870 31.514 1.00 0.65 C ATOM 774 CD LYS A 48 6.877 0.910 30.882 1.00 0.85 C ATOM 775 CE LYS A 48 7.362 2.359 30.805 1.00 1.54 C ATOM 776 NZ LYS A 48 7.571 2.770 32.222 1.00 1.74 N ATOM 0 H LYS A 48 2.736 0.499 31.338 1.00 0.29 H new ATOM 0 HA LYS A 48 3.731 -1.480 33.369 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.030 -0.688 32.910 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.360 -1.285 31.405 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.723 1.057 30.757 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.390 1.656 32.263 1.00 0.65 H new ATOM 0 HD2 LYS A 48 7.573 0.313 31.472 1.00 0.85 H new ATOM 0 HD3 LYS A 48 6.848 0.472 29.884 1.00 0.85 H new ATOM 0 HE2 LYS A 48 8.285 2.436 30.231 1.00 1.54 H new ATOM 0 HE3 LYS A 48 6.627 2.996 30.313 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.385 3.414 32.280 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 6.720 3.255 32.572 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 7.754 1.928 32.804 1.00 1.74 H new ATOM 790 N LYS A 49 4.199 0.482 34.968 1.00 0.28 N ATOM 791 CA LYS A 49 4.089 1.609 35.936 1.00 0.25 C ATOM 792 C LYS A 49 4.730 2.865 35.348 1.00 0.22 C ATOM 793 O LYS A 49 5.646 2.793 34.553 1.00 0.24 O ATOM 794 CB LYS A 49 4.852 1.152 37.176 1.00 0.29 C ATOM 795 CG LYS A 49 4.723 2.206 38.277 1.00 0.30 C ATOM 796 CD LYS A 49 5.548 1.780 39.493 1.00 0.54 C ATOM 797 CE LYS A 49 5.288 2.747 40.651 1.00 1.08 C ATOM 798 NZ LYS A 49 6.026 3.987 40.288 1.00 1.65 N ATOM 0 H LYS A 49 4.687 -0.344 35.314 1.00 0.28 H new ATOM 0 HA LYS A 49 3.052 1.853 36.168 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.459 0.197 37.525 1.00 0.29 H new ATOM 0 HB3 LYS A 49 5.902 0.994 36.931 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.068 3.173 37.911 1.00 0.30 H new ATOM 0 HG3 LYS A 49 3.677 2.327 38.559 1.00 0.30 H new ATOM 0 HD2 LYS A 49 5.284 0.764 39.787 1.00 0.54 H new ATOM 0 HD3 LYS A 49 6.609 1.773 39.242 1.00 0.54 H new ATOM 0 HE2 LYS A 49 4.222 2.942 40.771 1.00 1.08 H new ATOM 0 HE3 LYS A 49 5.645 2.337 41.596 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 6.335 4.473 41.154 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 6.858 3.741 39.714 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 5.402 4.615 39.742 1.00 1.65 H new ATOM 812 N TYR A 50 4.205 4.009 35.673 1.00 0.20 N ATOM 813 CA TYR A 50 4.731 5.263 35.061 1.00 0.21 C ATOM 814 C TYR A 50 5.590 6.034 36.066 1.00 0.22 C ATOM 815 O TYR A 50 5.086 6.648 36.985 1.00 0.22 O ATOM 816 CB TYR A 50 3.487 6.069 34.694 1.00 0.20 C ATOM 817 CG TYR A 50 3.902 7.373 34.056 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.942 7.395 33.120 1.00 0.26 C ATOM 819 CD2 TYR A 50 3.248 8.559 34.404 1.00 0.24 C ATOM 820 CE1 TYR A 50 5.327 8.605 32.533 1.00 0.30 C ATOM 821 CE2 TYR A 50 3.633 9.770 33.817 1.00 0.28 C ATOM 822 CZ TYR A 50 4.673 9.794 32.882 1.00 0.30 C ATOM 823 OH TYR A 50 5.053 10.987 32.301 1.00 0.35 O ATOM 0 H TYR A 50 3.437 4.134 36.333 1.00 0.20 H new ATOM 0 HA TYR A 50 5.365 5.064 34.197 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.861 5.499 34.008 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.890 6.262 35.585 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.447 6.479 32.851 1.00 0.26 H new ATOM 0 HD2 TYR A 50 2.445 8.541 35.126 1.00 0.24 H new ATOM 0 HE1 TYR A 50 6.129 8.623 31.810 1.00 0.30 H new ATOM 0 HE2 TYR A 50 3.127 10.686 34.086 1.00 0.28 H new ATOM 0 HH TYR A 50 4.497 11.714 32.653 1.00 0.35 H new ATOM 833 N LYS A 51 6.867 6.113 35.814 1.00 0.25 N ATOM 834 CA LYS A 51 7.739 6.979 36.654 1.00 0.29 C ATOM 835 C LYS A 51 7.998 8.300 35.924 1.00 0.32 C ATOM 836 O LYS A 51 8.485 8.304 34.811 1.00 0.35 O ATOM 837 CB LYS A 51 9.039 6.191 36.824 1.00 0.33 C ATOM 838 CG LYS A 51 8.791 4.990 37.738 1.00 1.43 C ATOM 839 CD LYS A 51 10.128 4.351 38.119 1.00 1.91 C ATOM 840 CE LYS A 51 9.893 3.252 39.158 1.00 2.76 C ATOM 841 NZ LYS A 51 11.222 2.609 39.346 1.00 3.21 N ATOM 0 H LYS A 51 7.344 5.615 35.062 1.00 0.25 H new ATOM 0 HA LYS A 51 7.290 7.222 37.617 1.00 0.29 H new ATOM 0 HB2 LYS A 51 9.402 5.854 35.853 1.00 0.33 H new ATOM 0 HB3 LYS A 51 9.812 6.831 37.249 1.00 0.33 H new ATOM 0 HG2 LYS A 51 8.259 5.307 38.635 1.00 1.43 H new ATOM 0 HG3 LYS A 51 8.158 4.260 37.233 1.00 1.43 H new ATOM 0 HD2 LYS A 51 10.608 3.933 37.234 1.00 1.91 H new ATOM 0 HD3 LYS A 51 10.803 5.107 38.520 1.00 1.91 H new ATOM 0 HE2 LYS A 51 9.520 3.667 40.094 1.00 2.76 H new ATOM 0 HE3 LYS A 51 9.152 2.532 38.810 1.00 2.76 H new ATOM 0 HZ1 LYS A 51 11.142 1.844 40.046 1.00 3.21 H new ATOM 0 HZ2 LYS A 51 11.549 2.217 38.440 1.00 3.21 H new ATOM 0 HZ3 LYS A 51 11.905 3.317 39.684 1.00 3.21 H new ATOM 855 N PRO A 52 7.649 9.380 36.566 1.00 0.33 N ATOM 856 CA PRO A 52 7.835 10.715 35.949 1.00 0.39 C ATOM 857 C PRO A 52 9.318 10.954 35.648 1.00 0.46 C ATOM 858 O PRO A 52 10.187 10.540 36.390 1.00 0.48 O ATOM 859 CB PRO A 52 7.331 11.695 37.010 1.00 0.41 C ATOM 860 CG PRO A 52 6.542 10.872 37.983 1.00 0.40 C ATOM 861 CD PRO A 52 7.057 9.461 37.902 1.00 0.33 C ATOM 0 HA PRO A 52 7.304 10.823 35.003 1.00 0.39 H new ATOM 0 HB2 PRO A 52 8.162 12.196 37.506 1.00 0.41 H new ATOM 0 HB3 PRO A 52 6.711 12.472 36.562 1.00 0.41 H new ATOM 0 HG2 PRO A 52 6.652 11.263 38.994 1.00 0.40 H new ATOM 0 HG3 PRO A 52 5.480 10.907 37.742 1.00 0.40 H new ATOM 0 HD2 PRO A 52 7.794 9.259 38.679 1.00 0.33 H new ATOM 0 HD3 PRO A 52 6.254 8.735 38.028 1.00 0.33 H new ATOM 869 N ASN A 53 9.614 11.620 34.565 1.00 0.61 N ATOM 870 CA ASN A 53 11.041 11.882 34.219 1.00 0.71 C ATOM 871 C ASN A 53 11.680 12.798 35.266 1.00 1.19 C ATOM 872 O ASN A 53 11.926 12.329 36.365 1.00 1.61 O ATOM 873 CB ASN A 53 10.996 12.575 32.857 1.00 1.36 C ATOM 874 CG ASN A 53 10.227 11.701 31.865 1.00 1.76 C ATOM 875 OD1 ASN A 53 9.356 12.177 31.164 1.00 2.14 O ATOM 876 ND2 ASN A 53 10.515 10.430 31.773 1.00 2.41 N ATOM 877 OXT ASN A 53 11.912 13.954 34.951 1.00 1.98 O ATOM 0 H ASN A 53 8.931 11.994 33.906 1.00 0.61 H new ATOM 0 HA ASN A 53 11.634 10.968 34.193 1.00 0.71 H new ATOM 0 HB2 ASN A 53 10.515 13.549 32.948 1.00 1.36 H new ATOM 0 HB3 ASN A 53 12.008 12.752 32.493 1.00 1.36 H new ATOM 0 HD21 ASN A 53 10.009 9.839 31.113 1.00 2.41 H new ATOM 0 HD22 ASN A 53 11.246 10.029 32.361 1.00 2.41 H new TER 884 ASN A 53 ATOM 885 N PHE B 2 2.928 12.339 13.103 1.00 9.08 N ATOM 886 CA PHE B 2 2.150 11.067 13.133 1.00 8.67 C ATOM 887 C PHE B 2 1.361 10.962 14.441 1.00 7.72 C ATOM 888 O PHE B 2 1.843 11.318 15.498 1.00 7.64 O ATOM 889 CB PHE B 2 3.198 9.957 13.048 1.00 9.22 C ATOM 890 CG PHE B 2 3.997 10.117 11.777 1.00 10.46 C ATOM 891 CD1 PHE B 2 3.409 9.831 10.539 1.00 10.87 C ATOM 892 CD2 PHE B 2 5.326 10.554 11.836 1.00 10.89 C ATOM 893 CE1 PHE B 2 4.149 9.981 9.361 1.00 11.64 C ATOM 894 CE2 PHE B 2 6.067 10.703 10.658 1.00 11.66 C ATOM 895 CZ PHE B 2 5.478 10.417 9.420 1.00 11.60 C ATOM 0 HA PHE B 2 1.427 11.006 12.319 1.00 8.67 H new ATOM 0 HB2 PHE B 2 3.859 9.999 13.914 1.00 9.22 H new ATOM 0 HB3 PHE B 2 2.712 8.981 13.065 1.00 9.22 H new ATOM 0 HD1 PHE B 2 2.384 9.494 10.493 1.00 10.87 H new ATOM 0 HD2 PHE B 2 5.779 10.776 12.791 1.00 10.89 H new ATOM 0 HE1 PHE B 2 3.695 9.760 8.406 1.00 11.64 H new ATOM 0 HE2 PHE B 2 7.093 11.038 10.704 1.00 11.66 H new ATOM 0 HZ PHE B 2 6.049 10.533 8.511 1.00 11.60 H new ATOM 905 N MET B 3 0.144 10.494 14.375 1.00 7.25 N ATOM 906 CA MET B 3 -0.682 10.390 15.611 1.00 6.59 C ATOM 907 C MET B 3 -0.619 8.969 16.181 1.00 5.73 C ATOM 908 O MET B 3 -1.620 8.406 16.580 1.00 5.45 O ATOM 909 CB MET B 3 -2.105 10.727 15.164 1.00 6.98 C ATOM 910 CG MET B 3 -2.162 12.181 14.693 1.00 7.76 C ATOM 911 SD MET B 3 -3.881 12.642 14.367 1.00 8.62 S ATOM 912 CE MET B 3 -4.428 12.706 16.090 1.00 8.70 C ATOM 0 H MET B 3 -0.313 10.180 13.519 1.00 7.25 H new ATOM 0 HA MET B 3 -0.331 11.058 16.397 1.00 6.59 H new ATOM 0 HB2 MET B 3 -2.412 10.060 14.358 1.00 6.98 H new ATOM 0 HB3 MET B 3 -2.802 10.573 15.988 1.00 6.98 H new ATOM 0 HG2 MET B 3 -1.736 12.837 15.452 1.00 7.76 H new ATOM 0 HG3 MET B 3 -1.563 12.306 13.791 1.00 7.76 H new ATOM 0 HE1 MET B 3 -5.068 13.576 16.237 1.00 8.70 H new ATOM 0 HE2 MET B 3 -4.987 11.801 16.328 1.00 8.70 H new ATOM 0 HE3 MET B 3 -3.560 12.779 16.745 1.00 8.70 H new ATOM 922 N LYS B 4 0.547 8.384 16.223 1.00 5.69 N ATOM 923 CA LYS B 4 0.668 7.000 16.768 1.00 5.34 C ATOM 924 C LYS B 4 1.017 7.045 18.259 1.00 4.61 C ATOM 925 O LYS B 4 1.606 7.993 18.741 1.00 4.72 O ATOM 926 CB LYS B 4 1.803 6.358 15.969 1.00 6.20 C ATOM 927 CG LYS B 4 1.385 6.231 14.502 1.00 6.74 C ATOM 928 CD LYS B 4 2.467 5.479 13.725 1.00 7.81 C ATOM 929 CE LYS B 4 2.095 5.436 12.242 1.00 8.51 C ATOM 930 NZ LYS B 4 1.646 4.038 11.997 1.00 9.17 N ATOM 0 H LYS B 4 1.421 8.803 15.904 1.00 5.69 H new ATOM 0 HA LYS B 4 -0.262 6.438 16.678 1.00 5.34 H new ATOM 0 HB2 LYS B 4 2.706 6.962 16.050 1.00 6.20 H new ATOM 0 HB3 LYS B 4 2.039 5.375 16.377 1.00 6.20 H new ATOM 0 HG2 LYS B 4 0.435 5.701 14.428 1.00 6.74 H new ATOM 0 HG3 LYS B 4 1.233 7.220 14.069 1.00 6.74 H new ATOM 0 HD2 LYS B 4 3.431 5.971 13.855 1.00 7.81 H new ATOM 0 HD3 LYS B 4 2.571 4.466 14.114 1.00 7.81 H new ATOM 0 HE2 LYS B 4 1.304 6.150 12.013 1.00 8.51 H new ATOM 0 HE3 LYS B 4 2.948 5.692 11.614 1.00 8.51 H new ATOM 0 HZ1 LYS B 4 1.374 3.931 10.999 1.00 9.17 H new ATOM 0 HZ2 LYS B 4 2.421 3.381 12.217 1.00 9.17 H new ATOM 0 HZ3 LYS B 4 0.829 3.825 12.604 1.00 9.17 H new ATOM 944 N SER B 5 0.644 6.034 18.996 1.00 4.27 N ATOM 945 CA SER B 5 0.938 6.027 20.459 1.00 3.86 C ATOM 946 C SER B 5 2.448 6.108 20.697 1.00 2.80 C ATOM 947 O SER B 5 3.240 5.723 19.859 1.00 3.02 O ATOM 948 CB SER B 5 0.386 4.697 20.967 1.00 4.70 C ATOM 949 OG SER B 5 -1.003 4.623 20.678 1.00 5.20 O ATOM 0 H SER B 5 0.149 5.213 18.649 1.00 4.27 H new ATOM 0 HA SER B 5 0.491 6.877 20.974 1.00 3.86 H new ATOM 0 HB2 SER B 5 0.912 3.868 20.494 1.00 4.70 H new ATOM 0 HB3 SER B 5 0.551 4.608 22.041 1.00 4.70 H new ATOM 0 HG SER B 5 -1.473 4.215 21.435 1.00 5.20 H new ATOM 955 N THR B 6 2.853 6.619 21.828 1.00 2.20 N ATOM 956 CA THR B 6 4.312 6.742 22.114 1.00 1.59 C ATOM 957 C THR B 6 4.535 7.100 23.586 1.00 1.19 C ATOM 958 O THR B 6 5.061 8.148 23.903 1.00 1.95 O ATOM 959 CB THR B 6 4.800 7.880 21.213 1.00 2.29 C ATOM 960 OG1 THR B 6 3.742 8.804 21.005 1.00 2.98 O ATOM 961 CG2 THR B 6 5.262 7.315 19.869 1.00 2.91 C ATOM 0 H THR B 6 2.237 6.957 22.567 1.00 2.20 H new ATOM 0 HA THR B 6 4.847 5.811 21.925 1.00 1.59 H new ATOM 0 HB THR B 6 5.637 8.387 21.693 1.00 2.29 H new ATOM 0 HG1 THR B 6 4.053 9.534 20.430 1.00 2.98 H new ATOM 0 HG21 THR B 6 5.608 8.129 19.232 1.00 2.91 H new ATOM 0 HG22 THR B 6 6.077 6.610 20.032 1.00 2.91 H new ATOM 0 HG23 THR B 6 4.431 6.803 19.384 1.00 2.91 H new ATOM 969 N GLY B 7 4.154 6.238 24.489 1.00 0.83 N ATOM 970 CA GLY B 7 4.366 6.538 25.936 1.00 0.45 C ATOM 971 C GLY B 7 3.249 7.454 26.442 1.00 0.43 C ATOM 972 O GLY B 7 3.499 8.475 27.051 1.00 0.49 O ATOM 0 H GLY B 7 3.707 5.343 24.290 1.00 0.83 H new ATOM 0 HA2 GLY B 7 4.379 5.612 26.511 1.00 0.45 H new ATOM 0 HA3 GLY B 7 5.335 7.016 26.080 1.00 0.45 H new ATOM 976 N ILE B 8 2.014 7.092 26.211 1.00 0.37 N ATOM 977 CA ILE B 8 0.888 7.948 26.696 1.00 0.37 C ATOM 978 C ILE B 8 0.317 7.365 27.988 1.00 0.32 C ATOM 979 O ILE B 8 0.247 6.169 28.150 1.00 0.30 O ATOM 980 CB ILE B 8 -0.158 7.904 25.582 1.00 0.40 C ATOM 981 CG1 ILE B 8 0.486 8.328 24.261 1.00 0.45 C ATOM 982 CG2 ILE B 8 -1.302 8.860 25.920 1.00 0.43 C ATOM 983 CD1 ILE B 8 -0.521 8.149 23.122 1.00 1.36 C ATOM 0 H ILE B 8 1.736 6.247 25.711 1.00 0.37 H new ATOM 0 HA ILE B 8 1.205 8.969 26.912 1.00 0.37 H new ATOM 0 HB ILE B 8 -0.547 6.890 25.488 1.00 0.40 H new ATOM 0 HG12 ILE B 8 0.806 9.368 24.318 1.00 0.45 H new ATOM 0 HG13 ILE B 8 1.377 7.730 24.070 1.00 0.45 H new ATOM 0 HG21 ILE B 8 -2.048 8.829 25.126 1.00 0.43 H new ATOM 0 HG22 ILE B 8 -1.761 8.559 26.862 1.00 0.43 H new ATOM 0 HG23 ILE B 8 -0.913 9.874 26.013 1.00 0.43 H new ATOM 0 HD11 ILE B 8 -0.063 8.451 22.180 1.00 1.36 H new ATOM 0 HD12 ILE B 8 -0.819 7.102 23.061 1.00 1.36 H new ATOM 0 HD13 ILE B 8 -1.399 8.766 23.312 1.00 1.36 H new ATOM 995 N VAL B 9 0.071 8.188 28.968 1.00 0.32 N ATOM 996 CA VAL B 9 -0.300 7.643 30.306 1.00 0.29 C ATOM 997 C VAL B 9 -1.746 7.996 30.669 1.00 0.32 C ATOM 998 O VAL B 9 -2.220 9.084 30.408 1.00 0.37 O ATOM 999 CB VAL B 9 0.677 8.296 31.284 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.360 7.834 32.708 1.00 0.27 C ATOM 1001 CG2 VAL B 9 2.106 7.883 30.924 1.00 0.30 C ATOM 0 H VAL B 9 0.110 9.205 28.904 1.00 0.32 H new ATOM 0 HA VAL B 9 -0.240 6.555 30.328 1.00 0.29 H new ATOM 0 HB VAL B 9 0.582 9.380 31.224 1.00 0.30 H new ATOM 0 HG11 VAL B 9 1.057 8.300 33.405 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.659 8.123 32.966 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.456 6.750 32.769 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.805 8.347 31.620 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.198 6.799 30.986 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.334 8.209 29.909 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.423 7.096 31.328 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.813 7.376 31.789 1.00 0.36 C ATOM 1013 C ARG B 10 -3.907 7.174 33.305 1.00 0.31 C ATOM 1014 O ARG B 10 -3.061 6.545 33.905 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.688 6.358 31.056 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.161 6.632 31.366 1.00 0.74 C ATOM 1017 CD ARG B 10 -7.029 5.550 30.721 1.00 0.87 C ATOM 1018 NE ARG B 10 -6.764 5.665 29.260 1.00 1.14 N ATOM 1019 CZ ARG B 10 -7.261 6.662 28.579 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -7.991 7.567 29.176 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -7.027 6.757 27.298 1.00 1.92 N ATOM 0 H ARG B 10 -2.069 6.170 31.569 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.124 8.400 31.580 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.514 6.420 29.982 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.423 5.347 31.364 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.320 6.646 32.444 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.446 7.614 30.989 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.767 4.560 31.093 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -8.085 5.705 30.944 1.00 0.87 H new ATOM 0 HE ARG B 10 -6.193 4.963 28.790 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -8.174 7.496 30.177 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -8.378 8.345 28.641 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -6.456 6.053 26.830 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -7.415 7.535 26.765 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.909 7.723 33.933 1.00 0.33 N ATOM 1036 CA LYS B 11 -5.029 7.578 35.413 1.00 0.30 C ATOM 1037 C LYS B 11 -5.678 6.237 35.773 1.00 0.26 C ATOM 1038 O LYS B 11 -6.554 5.755 35.082 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.920 8.738 35.859 1.00 0.34 C ATOM 1040 CG LYS B 11 -5.948 8.803 37.387 1.00 1.03 C ATOM 1041 CD LYS B 11 -6.896 9.918 37.832 1.00 1.03 C ATOM 1042 CE LYS B 11 -6.827 10.070 39.354 1.00 1.81 C ATOM 1043 NZ LYS B 11 -7.936 11.005 39.697 1.00 2.21 N ATOM 0 H LYS B 11 -5.649 8.265 33.488 1.00 0.33 H new ATOM 0 HA LYS B 11 -4.055 7.598 35.903 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -5.544 9.676 35.452 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -6.930 8.604 35.472 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -6.276 7.847 37.796 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -4.945 8.988 37.772 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -6.623 10.856 37.349 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -7.916 9.687 37.525 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -6.952 9.109 39.853 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -5.862 10.469 39.668 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -7.954 11.160 40.725 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -7.787 11.913 39.213 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -8.842 10.595 39.392 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.260 5.640 36.857 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.861 4.339 37.274 1.00 0.22 C ATOM 1059 C VAL B 12 -7.160 4.591 38.040 1.00 0.20 C ATOM 1060 O VAL B 12 -7.193 5.363 38.977 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.829 3.697 38.204 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.153 2.214 38.380 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.426 3.845 37.612 1.00 0.29 C ATOM 0 H VAL B 12 -4.529 5.997 37.472 1.00 0.23 H new ATOM 0 HA VAL B 12 -6.095 3.704 36.420 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.863 4.197 39.172 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.418 1.757 39.042 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.147 2.108 38.813 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.125 1.718 37.410 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.698 3.385 38.281 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.387 3.353 36.640 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.191 4.903 37.493 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.224 3.934 37.670 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.503 4.138 38.406 1.00 0.21 C ATOM 1075 C ASP B 13 -9.544 3.238 39.647 1.00 0.22 C ATOM 1076 O ASP B 13 -8.548 2.665 40.039 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.610 3.781 37.401 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.962 2.295 37.497 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.280 1.496 36.880 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.910 1.976 38.193 1.00 0.55 O ATOM 0 H ASP B 13 -8.264 3.270 36.897 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.622 5.159 38.768 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.496 4.384 37.598 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.281 4.018 36.389 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.646 3.225 40.344 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.694 2.502 41.649 1.00 0.26 C ATOM 1087 C GLU B 14 -10.313 1.024 41.489 1.00 0.26 C ATOM 1088 O GLU B 14 -9.724 0.435 42.374 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.143 2.631 42.115 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.471 4.103 42.369 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.900 4.224 42.902 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.601 3.227 42.893 1.00 1.99 O ATOM 1093 OE2 GLU B 14 -14.268 5.314 43.310 1.00 2.19 O ATOM 0 H GLU B 14 -11.515 3.682 40.068 1.00 0.23 H new ATOM 0 HA GLU B 14 -9.985 2.920 42.364 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.816 2.223 41.361 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.296 2.052 43.025 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.767 4.525 43.087 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -12.366 4.674 41.447 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.740 0.388 40.434 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.501 -1.082 40.313 1.00 0.25 C ATOM 1102 C LEU B 15 -9.104 -1.382 39.757 1.00 0.23 C ATOM 1103 O LEU B 15 -8.707 -2.524 39.652 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.574 -1.590 39.352 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.322 -3.069 39.051 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.074 -3.825 40.360 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.544 -3.660 38.346 1.00 1.39 C ATOM 0 H LEU B 15 -11.240 0.816 39.655 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.553 -1.569 41.287 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.563 -1.459 39.791 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.556 -1.011 38.429 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.448 -3.163 38.407 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -10.895 -4.878 40.144 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.203 -3.405 40.864 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -11.947 -3.731 41.006 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.366 -4.714 38.131 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.418 -3.564 38.991 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.720 -3.124 37.413 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.371 -0.383 39.352 1.00 0.21 N ATOM 1120 CA GLY B 16 -7.031 -0.654 38.754 1.00 0.20 C ATOM 1121 C GLY B 16 -7.201 -1.089 37.296 1.00 0.21 C ATOM 1122 O GLY B 16 -6.653 -2.086 36.861 1.00 0.21 O ATOM 0 H GLY B 16 -8.637 0.600 39.407 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.409 0.240 38.808 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.519 -1.433 39.320 1.00 0.20 H new ATOM 1126 N ARG B 17 -7.995 -0.378 36.545 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.237 -0.776 35.132 1.00 0.27 C ATOM 1128 C ARG B 17 -7.664 0.281 34.183 1.00 0.26 C ATOM 1129 O ARG B 17 -7.489 1.426 34.546 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.758 -0.855 34.999 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.283 -2.016 35.844 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.797 -2.138 35.664 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.360 -0.949 36.359 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.625 -0.923 36.690 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.406 -1.922 36.374 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.112 0.099 37.337 1.00 1.14 N ATOM 0 H ARG B 17 -8.487 0.462 36.850 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.759 -1.722 34.878 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.212 0.081 35.326 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -10.036 -0.996 33.955 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.795 -2.945 35.547 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -10.044 -1.852 36.895 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -12.070 -2.146 34.609 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.173 -3.065 36.098 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.759 -0.154 36.577 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -14.029 -2.724 35.868 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.392 -1.900 36.633 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.506 0.881 37.586 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.099 0.117 37.594 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.359 -0.103 32.977 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.782 0.870 32.006 1.00 0.26 C ATOM 1152 C VAL B 18 -7.635 0.905 30.737 1.00 0.24 C ATOM 1153 O VAL B 18 -8.333 -0.037 30.427 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.384 0.336 31.697 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.609 0.147 33.002 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.504 -1.010 30.978 1.00 0.26 C ATOM 0 H VAL B 18 -7.484 -1.050 32.619 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.751 1.886 32.401 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.855 1.046 31.061 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.612 -0.234 32.781 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.526 1.104 33.518 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.136 -0.564 33.639 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.508 -1.394 30.756 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -6.032 -1.718 31.617 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -6.058 -0.878 30.048 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.631 2.003 30.034 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.500 2.111 28.828 1.00 0.22 C ATOM 1168 C VAL B 19 -7.651 2.140 27.556 1.00 0.22 C ATOM 1169 O VAL B 19 -6.715 2.906 27.440 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.249 3.432 28.999 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.283 3.583 27.883 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -9.957 3.445 30.355 1.00 0.24 C ATOM 0 H VAL B 19 -7.067 2.827 30.241 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.178 1.263 28.734 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.540 4.259 28.950 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -10.816 4.526 28.006 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -9.779 3.575 26.917 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -10.992 2.756 27.929 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.491 4.387 30.477 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.665 2.617 30.404 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.220 3.340 31.151 1.00 0.24 H new ATOM 1182 N ILE B 20 -8.035 1.383 26.565 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.322 1.450 25.260 1.00 0.24 C ATOM 1184 C ILE B 20 -7.855 2.635 24.446 1.00 0.24 C ATOM 1185 O ILE B 20 -9.046 2.799 24.310 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.649 0.116 24.578 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.669 -0.954 25.063 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.531 0.254 23.058 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -6.917 -1.240 26.545 1.00 1.38 C ATOM 0 H ILE B 20 -8.811 0.722 26.603 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.247 1.597 25.362 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.670 -0.170 24.832 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.793 -1.867 24.480 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -5.643 -0.617 24.914 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.766 -0.700 22.587 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.229 1.014 22.706 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.514 0.547 22.797 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -6.219 -2.002 26.890 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -6.771 -0.326 27.121 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -7.938 -1.595 26.681 1.00 1.38 H new ATOM 1201 N PRO B 21 -6.951 3.400 23.895 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.350 4.548 23.045 1.00 0.30 C ATOM 1203 C PRO B 21 -8.225 4.063 21.885 1.00 0.28 C ATOM 1204 O PRO B 21 -8.031 2.986 21.360 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.026 5.117 22.527 1.00 0.35 C ATOM 1206 CG PRO B 21 -4.976 4.103 22.870 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.500 3.271 24.009 1.00 0.32 C ATOM 0 HA PRO B 21 -7.933 5.293 23.586 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.069 5.285 21.451 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -5.806 6.078 22.992 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.755 3.475 22.007 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.046 4.596 23.152 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.183 2.232 23.924 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.140 3.637 24.971 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.214 4.827 21.509 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.126 4.375 20.419 1.00 0.30 C ATOM 1217 C ILE B 22 -9.325 4.037 19.162 1.00 0.33 C ATOM 1218 O ILE B 22 -9.670 3.138 18.421 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.054 5.562 20.160 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.227 5.112 19.284 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.280 6.669 19.441 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -13.063 4.079 20.040 1.00 1.11 C ATOM 0 H ILE B 22 -9.430 5.741 21.907 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.679 3.477 20.692 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.432 5.940 21.110 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -12.844 5.969 19.017 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -11.856 4.684 18.353 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -10.942 7.515 19.257 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -9.444 6.991 20.062 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -9.902 6.291 18.491 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -13.898 3.759 19.416 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -12.442 3.217 20.285 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -13.446 4.523 20.959 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.243 4.721 18.928 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.414 4.399 17.733 1.00 0.40 C ATOM 1236 C GLU B 23 -6.968 2.936 17.793 1.00 0.37 C ATOM 1237 O GLU B 23 -6.915 2.248 16.793 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.205 5.329 17.823 1.00 0.44 C ATOM 1239 CG GLU B 23 -5.346 5.167 16.568 1.00 1.22 C ATOM 1240 CD GLU B 23 -4.079 6.013 16.701 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -3.926 6.658 17.725 1.00 2.37 O ATOM 1242 OE2 GLU B 23 -3.283 5.999 15.778 1.00 2.00 O ATOM 0 H GLU B 23 -7.897 5.485 19.508 1.00 0.36 H new ATOM 0 HA GLU B 23 -7.960 4.535 16.799 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -6.534 6.363 17.921 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -5.618 5.096 18.712 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -5.082 4.119 16.428 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -5.910 5.474 15.687 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.678 2.452 18.969 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.274 1.025 19.116 1.00 0.33 C ATOM 1251 C LEU B 24 -7.504 0.115 19.099 1.00 0.29 C ATOM 1252 O LEU B 24 -7.459 -0.985 18.587 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.560 0.950 20.464 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.267 1.768 20.405 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.476 1.567 21.699 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.424 1.301 19.216 1.00 1.75 C ATOM 0 H LEU B 24 -6.704 2.985 19.838 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.632 0.694 18.300 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.209 1.332 21.252 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.335 -0.088 20.711 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.510 2.824 20.288 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.556 2.149 21.657 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -4.076 1.897 22.547 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.232 0.511 21.816 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.503 1.882 19.172 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.181 0.245 19.334 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -3.987 1.443 18.293 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.622 0.583 19.588 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.854 -0.253 19.512 1.00 0.23 C ATOM 1270 C ARG B 25 -10.142 -0.596 18.050 1.00 0.26 C ATOM 1271 O ARG B 25 -10.520 -1.703 17.722 1.00 0.25 O ATOM 1272 CB ARG B 25 -10.990 0.611 20.072 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.729 0.961 21.539 1.00 0.21 C ATOM 1274 CD ARG B 25 -11.985 1.619 22.124 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.520 2.364 23.325 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.245 3.330 23.821 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.391 3.639 23.275 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -11.825 3.990 24.866 1.00 0.27 N ATOM 0 H ARG B 25 -8.735 1.495 20.031 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.748 -1.183 20.070 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.082 1.525 19.485 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.937 0.079 19.983 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.477 0.062 22.102 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.877 1.636 21.620 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.449 2.290 21.401 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.732 0.871 22.391 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.632 2.119 23.762 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.722 3.125 22.459 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -13.955 4.394 23.665 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -10.931 3.751 25.295 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.391 4.745 25.254 1.00 0.27 H new ATOM 1292 N ARG B 26 -10.013 0.364 17.175 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.333 0.115 15.740 1.00 0.33 C ATOM 1294 C ARG B 26 -9.244 -0.739 15.084 1.00 0.35 C ATOM 1295 O ARG B 26 -9.524 -1.711 14.412 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.380 1.504 15.102 1.00 0.37 C ATOM 1297 CG ARG B 26 -11.512 2.319 15.731 1.00 1.07 C ATOM 1298 CD ARG B 26 -12.858 1.696 15.357 1.00 1.25 C ATOM 1299 NE ARG B 26 -13.880 2.631 15.903 1.00 1.86 N ATOM 1300 CZ ARG B 26 -15.137 2.278 15.945 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -15.504 1.103 15.509 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -16.029 3.102 16.422 1.00 3.27 N ATOM 0 H ARG B 26 -9.700 1.310 17.392 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.271 -0.427 15.618 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -9.427 2.014 15.246 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -10.535 1.416 14.027 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -11.399 2.342 16.815 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.468 3.351 15.383 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -12.957 1.590 14.277 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -12.965 0.700 15.786 1.00 1.25 H new ATOM 0 HE ARG B 26 -13.598 3.550 16.245 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -14.808 0.458 15.134 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -16.486 0.830 15.543 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -15.745 4.021 16.762 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -17.011 2.827 16.455 1.00 3.27 H new ATOM 1316 N THR B 27 -8.005 -0.360 15.242 1.00 0.37 N ATOM 1317 CA THR B 27 -6.898 -1.118 14.587 1.00 0.41 C ATOM 1318 C THR B 27 -6.811 -2.545 15.141 1.00 0.39 C ATOM 1319 O THR B 27 -6.384 -3.455 14.461 1.00 0.42 O ATOM 1320 CB THR B 27 -5.630 -0.333 14.921 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.785 1.014 14.496 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.435 -0.963 14.203 1.00 0.77 C ATOM 0 H THR B 27 -7.710 0.443 15.797 1.00 0.37 H new ATOM 0 HA THR B 27 -7.051 -1.214 13.512 1.00 0.41 H new ATOM 0 HB THR B 27 -5.458 -0.358 15.997 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.161 1.547 15.227 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.531 -0.403 14.441 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.318 -1.997 14.529 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.603 -0.939 13.126 1.00 0.77 H new ATOM 1330 N LEU B 28 -7.153 -2.736 16.385 1.00 0.35 N ATOM 1331 CA LEU B 28 -7.021 -4.094 16.988 1.00 0.35 C ATOM 1332 C LEU B 28 -8.279 -4.930 16.718 1.00 0.33 C ATOM 1333 O LEU B 28 -8.333 -6.102 17.034 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.847 -3.847 18.486 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.423 -5.146 19.173 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.977 -5.477 18.793 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.523 -4.975 20.691 1.00 1.05 C ATOM 0 H LEU B 28 -7.517 -2.015 17.008 1.00 0.35 H new ATOM 0 HA LEU B 28 -6.183 -4.650 16.566 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -6.097 -3.074 18.653 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.780 -3.484 18.916 1.00 0.33 H new ATOM 0 HG LEU B 28 -7.078 -5.956 18.853 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.675 -6.403 19.283 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.903 -5.597 17.712 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -4.322 -4.667 19.113 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -6.221 -5.900 21.182 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.868 -4.164 21.010 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.552 -4.739 20.964 1.00 1.05 H new ATOM 1349 N GLY B 29 -9.285 -4.347 16.125 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.521 -5.124 15.823 1.00 0.32 C ATOM 1351 C GLY B 29 -11.185 -5.556 17.132 1.00 0.29 C ATOM 1352 O GLY B 29 -11.590 -6.692 17.288 1.00 0.29 O ATOM 0 H GLY B 29 -9.305 -3.369 15.837 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -11.210 -4.517 15.236 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -10.275 -5.999 15.221 1.00 0.32 H new ATOM 1356 N ILE B 30 -11.266 -4.673 18.087 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.865 -5.052 19.399 1.00 0.24 C ATOM 1358 C ILE B 30 -13.160 -4.277 19.646 1.00 0.23 C ATOM 1359 O ILE B 30 -13.265 -3.102 19.352 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.814 -4.683 20.443 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.507 -5.415 20.130 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.307 -5.095 21.831 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.797 -6.901 19.904 1.00 0.30 C ATOM 0 H ILE B 30 -10.945 -3.707 18.018 1.00 0.27 H new ATOM 0 HA ILE B 30 -12.122 -6.111 19.435 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.644 -3.607 20.422 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -9.040 -4.986 19.244 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.803 -5.292 20.953 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.557 -4.832 22.577 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -12.239 -4.576 22.055 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.477 -6.171 21.852 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.867 -7.423 19.681 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.245 -7.325 20.803 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.486 -7.014 19.067 1.00 0.30 H new ATOM 1375 N ALA B 31 -14.158 -4.944 20.152 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.470 -4.282 20.392 1.00 0.23 C ATOM 1377 C ALA B 31 -16.074 -4.779 21.708 1.00 0.20 C ATOM 1378 O ALA B 31 -15.625 -5.752 22.280 1.00 0.19 O ATOM 1379 CB ALA B 31 -16.346 -4.704 19.213 1.00 0.23 C ATOM 0 H ALA B 31 -14.121 -5.930 20.412 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.380 -3.198 20.468 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -17.334 -4.256 19.315 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.890 -4.368 18.282 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.440 -5.790 19.200 1.00 0.23 H new ATOM 1385 N GLU B 32 -17.081 -4.114 22.199 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.702 -4.546 23.483 1.00 0.21 C ATOM 1387 C GLU B 32 -18.095 -6.026 23.419 1.00 0.19 C ATOM 1388 O GLU B 32 -18.524 -6.518 22.396 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.946 -3.670 23.634 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.596 -3.937 24.993 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.901 -3.146 25.099 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -21.237 -2.465 24.144 1.00 1.12 O ATOM 1393 OE2 GLU B 32 -21.542 -3.235 26.133 1.00 1.13 O ATOM 0 H GLU B 32 -17.501 -3.291 21.768 1.00 0.22 H new ATOM 0 HA GLU B 32 -17.018 -4.438 24.325 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.675 -2.618 23.549 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.653 -3.883 22.832 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.794 -5.002 25.110 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.917 -3.648 25.796 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.998 -6.717 24.527 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.419 -8.155 24.584 1.00 0.20 C ATOM 1402 C LYS B 33 -17.392 -9.060 23.894 1.00 0.18 C ATOM 1403 O LYS B 33 -17.461 -10.268 23.994 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.767 -8.225 23.863 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.483 -9.521 24.247 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.799 -9.626 23.473 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.592 -10.835 23.974 1.00 1.35 C ATOM 1408 NZ LYS B 33 -22.976 -10.498 25.375 1.00 1.88 N ATOM 0 H LYS B 33 -17.641 -6.343 25.406 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.494 -8.502 25.615 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.380 -7.365 24.131 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.617 -8.186 22.784 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.849 -10.379 24.025 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.677 -9.538 25.319 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.383 -8.715 23.604 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.599 -9.726 22.406 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -23.472 -11.012 23.356 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -21.990 -11.743 23.938 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -23.877 -10.962 25.609 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -22.236 -10.828 26.027 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -23.084 -9.468 25.467 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.386 -8.494 23.285 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.305 -9.343 22.706 1.00 0.16 C ATOM 1424 C ASP B 34 -14.366 -9.823 23.813 1.00 0.19 C ATOM 1425 O ASP B 34 -14.451 -9.381 24.941 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.564 -8.441 21.724 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.437 -8.213 20.491 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.465 -8.861 20.387 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -15.060 -7.393 19.673 1.00 1.09 O ATOM 0 H ASP B 34 -16.265 -7.488 23.164 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.699 -10.232 22.214 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.326 -7.488 22.196 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.618 -8.899 21.435 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.517 -10.770 23.521 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.632 -11.324 24.584 1.00 0.28 C ATOM 1436 C ALA B 35 -11.194 -10.823 24.411 1.00 0.20 C ATOM 1437 O ALA B 35 -10.603 -10.946 23.356 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.699 -12.839 24.400 1.00 0.36 C ATOM 0 H ALA B 35 -13.398 -11.183 22.596 1.00 0.22 H new ATOM 0 HA ALA B 35 -12.948 -11.016 25.580 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.072 -13.324 25.147 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.729 -13.175 24.518 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.344 -13.101 23.403 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.598 -10.348 25.470 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.164 -9.941 25.415 1.00 0.21 C ATOM 1446 C LEU B 36 -8.315 -10.971 26.157 1.00 0.19 C ATOM 1447 O LEU B 36 -8.666 -11.393 27.237 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.098 -8.603 26.153 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.198 -7.669 25.654 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.450 -6.598 26.715 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.752 -7.004 24.350 1.00 0.56 C ATOM 0 H LEU B 36 -11.046 -10.223 26.378 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.795 -9.867 24.392 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.208 -8.765 27.225 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.122 -8.142 25.999 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.112 -8.234 25.472 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.234 -5.923 26.372 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.762 -7.073 27.645 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.534 -6.033 26.886 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.538 -6.337 23.994 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.842 -6.431 24.527 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.558 -7.770 23.599 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.153 -11.290 25.660 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.253 -12.189 26.437 1.00 0.20 C ATOM 1465 C GLU B 37 -5.131 -11.373 27.085 1.00 0.18 C ATOM 1466 O GLU B 37 -4.631 -10.423 26.517 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.692 -13.181 25.419 1.00 0.24 C ATOM 1468 CG GLU B 37 -4.842 -14.228 26.142 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.212 -15.172 25.116 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.472 -14.992 23.937 1.00 1.07 O ATOM 1471 OE2 GLU B 37 -3.482 -16.059 25.527 1.00 1.17 O ATOM 0 H GLU B 37 -6.790 -10.972 24.761 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.776 -12.703 27.243 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.506 -13.666 24.881 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.089 -12.656 24.678 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.064 -13.739 26.727 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.459 -14.793 26.841 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.811 -11.678 28.312 1.00 0.20 N ATOM 1479 CA ILE B 38 -3.815 -10.860 29.057 1.00 0.20 C ATOM 1480 C ILE B 38 -2.539 -11.666 29.307 1.00 0.19 C ATOM 1481 O ILE B 38 -2.582 -12.811 29.723 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.496 -10.514 30.381 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -5.808 -9.776 30.099 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.576 -9.619 31.212 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.563 -9.556 31.411 1.00 0.84 C ATOM 0 H ILE B 38 -5.200 -12.464 28.833 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.521 -9.969 28.502 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.704 -11.430 30.933 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.603 -8.818 29.620 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.421 -10.354 29.407 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.063 -9.373 32.156 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.642 -10.143 31.412 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.367 -8.702 30.662 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.497 -9.031 31.210 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -6.781 -10.520 31.871 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -5.950 -8.961 32.088 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.412 -11.065 29.043 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.106 -11.757 29.235 1.00 0.20 C ATOM 1499 C TYR B 39 0.700 -11.057 30.332 1.00 0.20 C ATOM 1500 O TYR B 39 0.559 -9.871 30.549 1.00 0.19 O ATOM 1501 CB TYR B 39 0.608 -11.597 27.898 1.00 0.23 C ATOM 1502 CG TYR B 39 0.053 -12.565 26.887 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.271 -12.448 26.448 1.00 0.31 C ATOM 1504 CD2 TYR B 39 0.875 -13.574 26.381 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -1.773 -13.348 25.501 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.375 -14.473 25.436 1.00 0.36 C ATOM 1507 CZ TYR B 39 -0.948 -14.362 24.994 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.438 -15.253 24.063 1.00 0.45 O ATOM 0 H TYR B 39 -1.340 -10.108 28.697 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.227 -12.800 29.529 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.490 -10.576 27.536 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.677 -11.769 28.026 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -1.904 -11.665 26.839 1.00 0.31 H new ATOM 0 HD2 TYR B 39 1.897 -13.659 26.720 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -2.795 -13.262 25.161 1.00 0.37 H new ATOM 0 HE2 TYR B 39 1.010 -15.255 25.046 1.00 0.36 H new ATOM 0 HH TYR B 39 -1.981 -15.933 24.515 1.00 0.45 H new ATOM 1518 N VAL B 40 1.636 -11.742 30.928 1.00 0.21 N ATOM 1519 CA VAL B 40 2.546 -11.056 31.891 1.00 0.21 C ATOM 1520 C VAL B 40 4.010 -11.354 31.555 1.00 0.21 C ATOM 1521 O VAL B 40 4.429 -12.494 31.512 1.00 0.23 O ATOM 1522 CB VAL B 40 2.179 -11.626 33.259 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.145 -11.082 34.312 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.752 -11.204 33.614 1.00 0.26 C ATOM 0 H VAL B 40 1.810 -12.738 30.793 1.00 0.21 H new ATOM 0 HA VAL B 40 2.435 -9.972 31.858 1.00 0.21 H new ATOM 0 HB VAL B 40 2.245 -12.714 33.232 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.884 -11.488 35.289 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.164 -11.375 34.057 1.00 0.26 H new ATOM 0 HG13 VAL B 40 3.077 -9.995 34.341 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.485 -11.609 34.590 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.691 -10.116 33.643 1.00 0.26 H new ATOM 0 HG23 VAL B 40 0.062 -11.586 32.862 1.00 0.26 H new ATOM 1534 N ASP B 41 4.800 -10.332 31.364 1.00 0.21 N ATOM 1535 CA ASP B 41 6.248 -10.546 31.082 1.00 0.21 C ATOM 1536 C ASP B 41 7.076 -9.399 31.672 1.00 0.24 C ATOM 1537 O ASP B 41 6.769 -8.242 31.480 1.00 0.26 O ATOM 1538 CB ASP B 41 6.361 -10.553 29.556 1.00 0.19 C ATOM 1539 CG ASP B 41 6.197 -9.128 29.024 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.405 -8.392 29.590 1.00 1.68 O ATOM 1541 OD2 ASP B 41 6.865 -8.797 28.058 1.00 1.77 O ATOM 0 H ASP B 41 4.504 -9.356 31.391 1.00 0.21 H new ATOM 0 HA ASP B 41 6.620 -11.471 31.523 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.328 -10.956 29.254 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.598 -11.202 29.127 1.00 0.19 H new ATOM 1546 N ASP B 42 8.174 -9.709 32.303 1.00 0.27 N ATOM 1547 CA ASP B 42 9.080 -8.632 32.800 1.00 0.32 C ATOM 1548 C ASP B 42 8.281 -7.509 33.476 1.00 0.32 C ATOM 1549 O ASP B 42 8.510 -6.342 33.230 1.00 0.37 O ATOM 1550 CB ASP B 42 9.784 -8.110 31.548 1.00 0.37 C ATOM 1551 CG ASP B 42 10.706 -6.950 31.924 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.820 -6.668 33.106 1.00 1.14 O ATOM 1553 OD2 ASP B 42 11.281 -6.362 31.024 1.00 1.21 O ATOM 0 H ASP B 42 8.485 -10.661 32.497 1.00 0.27 H new ATOM 0 HA ASP B 42 9.781 -9.002 33.548 1.00 0.32 H new ATOM 0 HB2 ASP B 42 10.360 -8.910 31.082 1.00 0.37 H new ATOM 0 HB3 ASP B 42 9.048 -7.780 30.815 1.00 0.37 H new ATOM 1558 N GLU B 43 7.401 -7.851 34.380 1.00 0.29 N ATOM 1559 CA GLU B 43 6.652 -6.801 35.140 1.00 0.30 C ATOM 1560 C GLU B 43 5.864 -5.902 34.183 1.00 0.29 C ATOM 1561 O GLU B 43 5.320 -4.888 34.575 1.00 0.30 O ATOM 1562 CB GLU B 43 7.726 -5.996 35.873 1.00 0.34 C ATOM 1563 CG GLU B 43 8.501 -6.921 36.815 1.00 1.17 C ATOM 1564 CD GLU B 43 9.522 -6.104 37.608 1.00 1.34 C ATOM 1565 OE1 GLU B 43 9.698 -4.940 37.287 1.00 1.92 O ATOM 1566 OE2 GLU B 43 10.110 -6.656 38.525 1.00 1.68 O ATOM 0 H GLU B 43 7.167 -8.813 34.627 1.00 0.29 H new ATOM 0 HA GLU B 43 5.927 -7.235 35.828 1.00 0.30 H new ATOM 0 HB2 GLU B 43 8.406 -5.538 35.155 1.00 0.34 H new ATOM 0 HB3 GLU B 43 7.266 -5.186 36.438 1.00 0.34 H new ATOM 0 HG2 GLU B 43 7.813 -7.423 37.496 1.00 1.17 H new ATOM 0 HG3 GLU B 43 9.007 -7.699 36.243 1.00 1.17 H new ATOM 1573 N LYS B 44 5.724 -6.311 32.953 1.00 0.29 N ATOM 1574 CA LYS B 44 4.884 -5.534 31.998 1.00 0.30 C ATOM 1575 C LYS B 44 3.700 -6.383 31.535 1.00 0.27 C ATOM 1576 O LYS B 44 3.792 -7.590 31.437 1.00 0.26 O ATOM 1577 CB LYS B 44 5.802 -5.217 30.818 1.00 0.34 C ATOM 1578 CG LYS B 44 6.896 -4.244 31.261 1.00 1.29 C ATOM 1579 CD LYS B 44 7.723 -3.826 30.044 1.00 1.23 C ATOM 1580 CE LYS B 44 8.836 -2.874 30.481 1.00 1.90 C ATOM 1581 NZ LYS B 44 10.080 -3.694 30.447 1.00 2.00 N ATOM 0 H LYS B 44 6.155 -7.151 32.567 1.00 0.29 H new ATOM 0 HA LYS B 44 4.478 -4.629 32.450 1.00 0.30 H new ATOM 0 HB2 LYS B 44 6.251 -6.135 30.437 1.00 0.34 H new ATOM 0 HB3 LYS B 44 5.224 -4.782 30.002 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.451 -3.367 31.731 1.00 1.29 H new ATOM 0 HG3 LYS B 44 7.537 -4.714 32.007 1.00 1.29 H new ATOM 0 HD2 LYS B 44 8.151 -4.706 29.564 1.00 1.23 H new ATOM 0 HD3 LYS B 44 7.084 -3.340 29.307 1.00 1.23 H new ATOM 0 HE2 LYS B 44 8.909 -2.018 29.810 1.00 1.90 H new ATOM 0 HE3 LYS B 44 8.649 -2.481 31.480 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 10.803 -3.253 31.050 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 9.874 -4.652 30.797 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 10.432 -3.750 29.470 1.00 2.00 H new ATOM 1595 N ILE B 45 2.585 -5.769 31.261 1.00 0.28 N ATOM 1596 CA ILE B 45 1.396 -6.552 30.821 1.00 0.26 C ATOM 1597 C ILE B 45 1.253 -6.483 29.298 1.00 0.26 C ATOM 1598 O ILE B 45 1.209 -5.416 28.722 1.00 0.29 O ATOM 1599 CB ILE B 45 0.209 -5.867 31.497 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.449 -5.804 33.005 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -1.068 -6.663 31.216 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.571 -4.860 33.645 1.00 1.24 C ATOM 0 H ILE B 45 2.444 -4.761 31.322 1.00 0.28 H new ATOM 0 HA ILE B 45 1.471 -7.606 31.087 1.00 0.26 H new ATOM 0 HB ILE B 45 0.100 -4.856 31.104 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.362 -6.800 33.440 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.461 -5.455 33.209 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.915 -6.174 31.698 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.239 -6.708 30.140 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -0.960 -7.674 31.609 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.400 -4.815 34.721 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.462 -3.863 33.218 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.579 -5.229 33.453 1.00 1.24 H new ATOM 1614 N ILE B 46 1.113 -7.611 28.655 1.00 0.26 N ATOM 1615 CA ILE B 46 0.891 -7.610 27.179 1.00 0.29 C ATOM 1616 C ILE B 46 -0.546 -8.033 26.865 1.00 0.28 C ATOM 1617 O ILE B 46 -0.960 -9.134 27.163 1.00 0.31 O ATOM 1618 CB ILE B 46 1.892 -8.631 26.630 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.303 -8.050 26.707 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.552 -8.966 25.176 1.00 0.37 C ATOM 1621 CD1 ILE B 46 4.314 -9.191 26.824 1.00 0.50 C ATOM 0 H ILE B 46 1.143 -8.534 29.088 1.00 0.26 H new ATOM 0 HA ILE B 46 1.034 -6.625 26.735 1.00 0.29 H new ATOM 0 HB ILE B 46 1.839 -9.542 27.226 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.512 -7.453 25.819 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.388 -7.384 27.566 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.268 -9.693 24.793 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.547 -9.385 25.125 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.598 -8.059 24.573 1.00 0.37 H new ATOM 0 HD11 ILE B 46 5.322 -8.780 26.879 1.00 0.50 H new ATOM 0 HD12 ILE B 46 4.108 -9.769 27.725 1.00 0.50 H new ATOM 0 HD13 ILE B 46 4.234 -9.839 25.951 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.319 -7.160 26.285 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.735 -7.511 25.976 1.00 0.29 C ATOM 1635 C LEU B 47 -2.928 -7.633 24.465 1.00 0.31 C ATOM 1636 O LEU B 47 -2.477 -6.801 23.704 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.565 -6.353 26.525 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.279 -6.177 28.017 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -1.959 -5.426 28.200 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.412 -5.373 28.658 1.00 1.23 C ATOM 0 H LEU B 47 -1.034 -6.220 26.011 1.00 0.28 H new ATOM 0 HA LEU B 47 -3.027 -8.464 26.416 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.326 -5.435 25.988 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.626 -6.547 26.368 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.209 -7.156 28.492 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.756 -5.301 29.264 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.150 -5.994 27.741 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -2.029 -4.447 27.726 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.211 -5.246 29.722 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.479 -4.395 28.182 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.354 -5.905 28.528 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.600 -8.661 24.028 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.831 -8.834 22.566 1.00 0.34 C ATOM 1654 C LYS B 48 -5.231 -9.399 22.313 1.00 0.27 C ATOM 1655 O LYS B 48 -5.851 -9.961 23.194 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.759 -9.823 22.107 1.00 0.47 C ATOM 1657 CG LYS B 48 -3.000 -11.189 22.755 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.917 -12.165 22.293 1.00 0.85 C ATOM 1659 CE LYS B 48 -2.442 -13.599 22.398 1.00 1.54 C ATOM 1660 NZ LYS B 48 -3.520 -13.689 21.373 1.00 1.74 N ATOM 0 H LYS B 48 -4.000 -9.389 24.620 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.770 -7.890 22.025 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.779 -9.917 21.021 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.770 -9.452 22.376 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -2.984 -11.097 23.841 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.986 -11.565 22.482 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -1.630 -11.946 21.264 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -1.023 -12.048 22.905 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -1.652 -14.324 22.205 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -2.828 -13.806 23.396 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 -3.524 -14.642 20.956 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -4.440 -13.503 21.820 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 -3.349 -12.985 20.627 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.714 -9.301 21.105 1.00 0.28 N ATOM 1675 CA LYS B 49 -7.050 -9.884 20.792 1.00 0.25 C ATOM 1676 C LYS B 49 -7.050 -11.380 21.103 1.00 0.22 C ATOM 1677 O LYS B 49 -6.032 -12.039 21.031 1.00 0.24 O ATOM 1678 CB LYS B 49 -7.252 -9.649 19.296 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.647 -10.130 18.889 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.822 -9.964 17.378 1.00 0.54 C ATOM 1681 CE LYS B 49 -10.266 -10.289 16.992 1.00 1.08 C ATOM 1682 NZ LYS B 49 -10.361 -11.774 17.075 1.00 1.65 N ATOM 0 H LYS B 49 -5.244 -8.844 20.324 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.847 -9.431 21.382 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -7.139 -8.590 19.065 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.491 -10.183 18.727 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.779 -11.175 19.169 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.409 -9.559 19.419 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -8.576 -8.944 17.083 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -8.135 -10.623 16.847 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -10.973 -9.810 17.669 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.496 -9.934 15.987 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -10.655 -12.155 16.153 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -9.433 -12.167 17.332 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -11.061 -12.037 17.798 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.166 -11.906 21.523 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.201 -13.339 21.926 1.00 0.22 C ATOM 1698 C TYR B 50 -8.893 -14.185 20.854 1.00 0.25 C ATOM 1699 O TYR B 50 -10.096 -14.144 20.698 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.010 -13.358 23.222 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.114 -14.775 23.728 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -7.995 -15.614 23.697 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.332 -15.253 24.226 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.092 -16.930 24.164 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.431 -16.566 24.694 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.311 -17.406 24.663 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.407 -18.702 25.125 1.00 0.65 O ATOM 0 H TYR B 50 -9.052 -11.408 21.605 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.201 -13.754 22.054 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.532 -12.727 23.971 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -10.005 -12.948 23.048 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.055 -15.246 23.312 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.196 -14.606 24.249 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.228 -17.577 24.140 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.371 -16.933 25.079 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.320 -18.871 25.437 1.00 0.65 H new ATOM 1717 N LYS B 51 -8.156 -15.032 20.189 1.00 0.38 N ATOM 1718 CA LYS B 51 -8.791 -15.962 19.210 1.00 0.44 C ATOM 1719 C LYS B 51 -8.457 -17.413 19.568 1.00 1.25 C ATOM 1720 O LYS B 51 -7.579 -18.011 18.980 1.00 2.08 O ATOM 1721 CB LYS B 51 -8.185 -15.590 17.857 1.00 1.27 C ATOM 1722 CG LYS B 51 -9.153 -15.981 16.739 1.00 2.06 C ATOM 1723 CD LYS B 51 -8.903 -15.098 15.515 1.00 2.71 C ATOM 1724 CE LYS B 51 -8.938 -15.957 14.249 1.00 3.57 C ATOM 1725 NZ LYS B 51 -8.523 -15.040 13.151 1.00 4.35 N ATOM 0 H LYS B 51 -7.144 -15.121 20.280 1.00 0.38 H new ATOM 0 HA LYS B 51 -9.878 -15.878 19.205 1.00 0.44 H new ATOM 0 HB2 LYS B 51 -7.983 -14.520 17.819 1.00 1.27 H new ATOM 0 HB3 LYS B 51 -7.231 -16.100 17.721 1.00 1.27 H new ATOM 0 HG2 LYS B 51 -9.018 -17.030 16.477 1.00 2.06 H new ATOM 0 HG3 LYS B 51 -10.182 -15.867 17.079 1.00 2.06 H new ATOM 0 HD2 LYS B 51 -9.660 -14.316 15.457 1.00 2.71 H new ATOM 0 HD3 LYS B 51 -7.937 -14.601 15.603 1.00 2.71 H new ATOM 0 HE2 LYS B 51 -8.261 -16.808 14.330 1.00 3.57 H new ATOM 0 HE3 LYS B 51 -9.936 -16.359 14.072 1.00 3.57 H new ATOM 0 HZ1 LYS B 51 -8.522 -15.557 12.249 1.00 4.35 H new ATOM 0 HZ2 LYS B 51 -9.189 -14.244 13.093 1.00 4.35 H new ATOM 0 HZ3 LYS B 51 -7.567 -14.678 13.343 1.00 4.35 H new ATOM 1739 N PRO B 52 -9.170 -17.925 20.535 1.00 1.79 N ATOM 1740 CA PRO B 52 -8.944 -19.318 20.994 1.00 2.79 C ATOM 1741 C PRO B 52 -9.182 -20.303 19.845 1.00 2.90 C ATOM 1742 O PRO B 52 -10.033 -20.095 19.002 1.00 3.05 O ATOM 1743 CB PRO B 52 -9.976 -19.520 22.105 1.00 3.58 C ATOM 1744 CG PRO B 52 -10.957 -18.397 21.960 1.00 3.28 C ATOM 1745 CD PRO B 52 -10.240 -17.263 21.280 1.00 2.28 C ATOM 0 HA PRO B 52 -7.924 -19.488 21.340 1.00 2.79 H new ATOM 0 HB2 PRO B 52 -10.471 -20.486 22.008 1.00 3.58 H new ATOM 0 HB3 PRO B 52 -9.503 -19.501 23.087 1.00 3.58 H new ATOM 0 HG2 PRO B 52 -11.820 -18.713 21.373 1.00 3.28 H new ATOM 0 HG3 PRO B 52 -11.332 -18.085 22.935 1.00 3.28 H new ATOM 0 HD2 PRO B 52 -10.905 -16.709 20.618 1.00 2.28 H new ATOM 0 HD3 PRO B 52 -9.843 -16.550 22.002 1.00 2.28 H new ATOM 1753 N ASN B 53 -8.445 -21.378 19.811 1.00 3.43 N ATOM 1754 CA ASN B 53 -8.637 -22.380 18.724 1.00 4.01 C ATOM 1755 C ASN B 53 -9.431 -23.581 19.244 1.00 4.61 C ATOM 1756 O ASN B 53 -9.072 -24.697 18.905 1.00 5.09 O ATOM 1757 CB ASN B 53 -7.224 -22.804 18.322 1.00 4.59 C ATOM 1758 CG ASN B 53 -6.630 -23.699 19.410 1.00 5.20 C ATOM 1759 OD1 ASN B 53 -7.154 -23.776 20.503 1.00 5.34 O ATOM 1760 ND2 ASN B 53 -5.548 -24.385 19.157 1.00 5.97 N ATOM 1761 OXT ASN B 53 -10.386 -23.364 19.973 1.00 4.97 O ATOM 0 H ASN B 53 -7.718 -21.607 20.489 1.00 3.43 H new ATOM 0 HA ASN B 53 -9.196 -21.972 17.881 1.00 4.01 H new ATOM 0 HB2 ASN B 53 -7.250 -23.337 17.372 1.00 4.59 H new ATOM 0 HB3 ASN B 53 -6.597 -21.925 18.177 1.00 4.59 H new ATOM 0 HD21 ASN B 53 -5.144 -24.984 19.877 1.00 5.97 H new ATOM 0 HD22 ASN B 53 -5.107 -24.321 18.240 1.00 5.97 H new TER 1768 ASN B 53