USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 ASN : amide:sc= -0.0257 K(o=-0.026,f=-0.97) USER MOD Set 1.2: A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET CE :methyl -179:sc= 0 (180deg=-0.00254) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.37) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -95:sc= 0.0136 USER MOD Single : A 11 TYR OH : rot -66:sc= 1.08 USER MOD Single : A 12 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.3) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.221 USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.1) USER MOD Single : A 21 HIS : no HD1:sc= -0.802 X(o=-0.8,f=-1) USER MOD Single : A 23 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.015) USER MOD Single : A 25 TYR OH : rot -30:sc= 0.421 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 36 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.11) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0404 USER MOD Single : A 44 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.5!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0743 X(o=-0.074,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.4 K(o=-2.4,f=-5.6!) USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= -0.0103 (180deg=-0.161) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 63 LYS NZ :NH3+ -117:sc= 0.963 (180deg=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -25.443 -11.095 -11.148 1.00 23.36 N ATOM 2 CA MET A 0 -26.125 -12.402 -11.062 1.00 23.26 C ATOM 3 C MET A 0 -26.408 -12.830 -9.616 1.00 22.00 C ATOM 4 O MET A 0 -27.541 -13.180 -9.307 1.00 22.55 O ATOM 5 CB MET A 0 -25.415 -13.503 -11.869 1.00 23.57 C ATOM 6 CG MET A 0 -23.899 -13.629 -11.645 1.00 23.04 C ATOM 7 SD MET A 0 -23.105 -15.047 -12.451 1.00 23.80 S ATOM 8 CE MET A 0 -23.658 -16.418 -11.411 1.00 23.58 C ATOM 0 H1 MET A 0 -25.277 -10.855 -12.146 1.00 23.36 H new ATOM 0 H2 MET A 0 -26.039 -10.363 -10.711 1.00 23.36 H new ATOM 0 H3 MET A 0 -24.533 -11.145 -10.648 1.00 23.36 H new ATOM 0 HA MET A 0 -27.096 -12.258 -11.535 1.00 23.26 H new ATOM 0 HB2 MET A 0 -25.879 -14.459 -11.628 1.00 23.57 H new ATOM 0 HB3 MET A 0 -25.592 -13.321 -12.929 1.00 23.57 H new ATOM 0 HG2 MET A 0 -23.420 -12.717 -12.000 1.00 23.04 H new ATOM 0 HG3 MET A 0 -23.712 -13.691 -10.573 1.00 23.04 H new ATOM 0 HE1 MET A 0 -23.230 -17.350 -11.780 1.00 23.58 H new ATOM 0 HE2 MET A 0 -23.332 -16.251 -10.384 1.00 23.58 H new ATOM 0 HE3 MET A 0 -24.746 -16.481 -11.440 1.00 23.58 H new ATOM 18 N ARG A 1 -25.396 -12.825 -8.738 1.00 20.52 N ATOM 19 CA ARG A 1 -25.520 -13.288 -7.354 1.00 19.42 C ATOM 20 C ARG A 1 -24.198 -13.099 -6.608 1.00 17.78 C ATOM 21 O ARG A 1 -24.188 -12.665 -5.461 1.00 17.26 O ATOM 22 CB ARG A 1 -26.011 -14.749 -7.265 1.00 19.81 C ATOM 23 CG ARG A 1 -25.352 -15.711 -8.269 1.00 20.31 C ATOM 24 CD ARG A 1 -25.830 -17.163 -8.124 1.00 20.68 C ATOM 25 NE ARG A 1 -27.300 -17.270 -8.190 1.00 21.93 N ATOM 26 CZ ARG A 1 -28.145 -17.355 -7.146 1.00 22.04 C ATOM 27 NH1 ARG A 1 -27.676 -17.376 -5.893 1.00 20.94 N ATOM 28 NH2 ARG A 1 -29.464 -17.408 -7.361 1.00 23.43 N ATOM 0 H ARG A 1 -24.460 -12.496 -8.973 1.00 20.52 H new ATOM 0 HA ARG A 1 -26.282 -12.676 -6.871 1.00 19.42 H new ATOM 0 HB2 ARG A 1 -25.829 -15.118 -6.256 1.00 19.81 H new ATOM 0 HB3 ARG A 1 -27.090 -14.766 -7.421 1.00 19.81 H new ATOM 0 HG2 ARG A 1 -25.561 -15.367 -9.282 1.00 20.31 H new ATOM 0 HG3 ARG A 1 -24.270 -15.677 -8.137 1.00 20.31 H new ATOM 0 HD2 ARG A 1 -25.386 -17.771 -8.912 1.00 20.68 H new ATOM 0 HD3 ARG A 1 -25.479 -17.567 -7.174 1.00 20.68 H new ATOM 0 HE ARG A 1 -27.718 -17.281 -9.120 1.00 21.93 H new ATOM 0 HH11 ARG A 1 -26.671 -17.327 -5.724 1.00 20.94 H new ATOM 0 HH12 ARG A 1 -28.323 -17.441 -5.107 1.00 20.94 H new ATOM 0 HH21 ARG A 1 -29.827 -17.384 -8.314 1.00 23.43 H new ATOM 0 HH22 ARG A 1 -30.107 -17.472 -6.572 1.00 23.43 H new ATOM 42 N LYS A 2 -23.077 -13.431 -7.259 1.00 17.15 N ATOM 43 CA LYS A 2 -21.749 -13.195 -6.702 1.00 15.78 C ATOM 44 C LYS A 2 -21.414 -11.699 -6.782 1.00 15.21 C ATOM 45 O LYS A 2 -22.189 -10.947 -7.372 1.00 15.79 O ATOM 46 CB LYS A 2 -20.706 -14.050 -7.440 1.00 16.21 C ATOM 47 CG LYS A 2 -21.138 -15.502 -7.715 1.00 16.86 C ATOM 48 CD LYS A 2 -21.676 -16.269 -6.494 1.00 17.06 C ATOM 49 CE LYS A 2 -20.683 -16.399 -5.329 1.00 16.17 C ATOM 50 NZ LYS A 2 -19.427 -17.070 -5.723 1.00 15.89 N ATOM 0 H LYS A 2 -23.069 -13.868 -8.181 1.00 17.15 H new ATOM 0 HA LYS A 2 -21.734 -13.490 -5.653 1.00 15.78 H new ATOM 0 HB2 LYS A 2 -20.470 -13.570 -8.390 1.00 16.21 H new ATOM 0 HB3 LYS A 2 -19.788 -14.064 -6.853 1.00 16.21 H new ATOM 0 HG2 LYS A 2 -21.907 -15.495 -8.487 1.00 16.86 H new ATOM 0 HG3 LYS A 2 -20.285 -16.047 -8.119 1.00 16.86 H new ATOM 0 HD2 LYS A 2 -22.574 -15.767 -6.134 1.00 17.06 H new ATOM 0 HD3 LYS A 2 -21.975 -17.268 -6.812 1.00 17.06 H new ATOM 0 HE2 LYS A 2 -20.454 -15.407 -4.940 1.00 16.17 H new ATOM 0 HE3 LYS A 2 -21.151 -16.959 -4.519 1.00 16.17 H new ATOM 0 HZ1 LYS A 2 -18.793 -17.131 -4.901 1.00 15.89 H new ATOM 0 HZ2 LYS A 2 -19.639 -18.028 -6.069 1.00 15.89 H new ATOM 0 HZ3 LYS A 2 -18.963 -16.524 -6.477 1.00 15.89 H new ATOM 64 N ARG A 3 -20.270 -11.296 -6.207 1.00 14.36 N ATOM 65 CA ARG A 3 -19.765 -9.917 -6.111 1.00 14.00 C ATOM 66 C ARG A 3 -18.500 -9.837 -5.236 1.00 12.43 C ATOM 67 O ARG A 3 -17.665 -8.968 -5.470 1.00 12.53 O ATOM 68 CB ARG A 3 -20.834 -8.951 -5.558 1.00 14.82 C ATOM 69 CG ARG A 3 -21.555 -8.162 -6.667 1.00 16.40 C ATOM 70 CD ARG A 3 -23.020 -7.868 -6.302 1.00 17.38 C ATOM 71 NE ARG A 3 -23.154 -6.655 -5.476 1.00 17.95 N ATOM 72 CZ ARG A 3 -23.169 -5.400 -5.959 1.00 19.17 C ATOM 73 NH1 ARG A 3 -22.982 -5.192 -7.268 1.00 19.88 N ATOM 74 NH2 ARG A 3 -23.369 -4.363 -5.140 1.00 19.92 N ATOM 0 H ARG A 3 -19.635 -11.964 -5.770 1.00 14.36 H new ATOM 0 HA ARG A 3 -19.512 -9.611 -7.126 1.00 14.00 H new ATOM 0 HB2 ARG A 3 -21.568 -9.518 -4.985 1.00 14.82 H new ATOM 0 HB3 ARG A 3 -20.363 -8.251 -4.868 1.00 14.82 H new ATOM 0 HG2 ARG A 3 -21.030 -7.224 -6.845 1.00 16.40 H new ATOM 0 HG3 ARG A 3 -21.519 -8.729 -7.597 1.00 16.40 H new ATOM 0 HD2 ARG A 3 -23.604 -7.750 -7.215 1.00 17.38 H new ATOM 0 HD3 ARG A 3 -23.437 -8.720 -5.765 1.00 17.38 H new ATOM 0 HE ARG A 3 -23.242 -6.776 -4.467 1.00 17.95 H new ATOM 0 HH11 ARG A 3 -22.829 -5.983 -7.893 1.00 19.88 H new ATOM 0 HH12 ARG A 3 -22.992 -4.242 -7.640 1.00 19.88 H new ATOM 0 HH21 ARG A 3 -23.511 -4.521 -4.142 1.00 19.92 H new ATOM 0 HH22 ARG A 3 -23.379 -3.414 -5.513 1.00 19.92 H new ATOM 88 N GLY A 4 -18.383 -10.698 -4.214 1.00 11.29 N ATOM 89 CA GLY A 4 -17.280 -10.695 -3.245 1.00 9.95 C ATOM 90 C GLY A 4 -15.910 -10.519 -3.903 1.00 9.28 C ATOM 91 O GLY A 4 -15.648 -11.219 -4.884 1.00 9.73 O ATOM 0 H GLY A 4 -19.069 -11.432 -4.035 1.00 11.29 H new ATOM 0 HA2 GLY A 4 -17.438 -9.892 -2.525 1.00 9.95 H new ATOM 0 HA3 GLY A 4 -17.292 -11.631 -2.686 1.00 9.95 H new ATOM 95 N ARG A 5 -15.038 -9.617 -3.400 1.00 8.63 N ATOM 96 CA ARG A 5 -13.789 -9.418 -4.115 1.00 8.47 C ATOM 97 C ARG A 5 -12.744 -8.967 -3.114 1.00 7.16 C ATOM 98 O ARG A 5 -12.923 -7.937 -2.468 1.00 7.21 O ATOM 99 CB ARG A 5 -14.034 -8.437 -5.281 1.00 10.12 C ATOM 100 CG ARG A 5 -12.907 -7.430 -5.564 1.00 10.79 C ATOM 101 CD ARG A 5 -11.729 -8.225 -6.211 1.00 11.30 C ATOM 102 NE ARG A 5 -10.513 -7.407 -6.370 1.00 12.29 N ATOM 103 CZ ARG A 5 -9.360 -7.778 -6.964 1.00 13.21 C ATOM 104 NH1 ARG A 5 -9.232 -8.968 -7.564 1.00 13.37 N ATOM 105 NH2 ARG A 5 -8.314 -6.940 -6.944 1.00 14.32 N ATOM 0 H ARG A 5 -15.173 -9.056 -2.559 1.00 8.63 H new ATOM 0 HA ARG A 5 -13.411 -10.333 -4.571 1.00 8.47 H new ATOM 0 HB2 ARG A 5 -14.211 -9.017 -6.186 1.00 10.12 H new ATOM 0 HB3 ARG A 5 -14.948 -7.880 -5.075 1.00 10.12 H new ATOM 0 HG2 ARG A 5 -13.254 -6.643 -6.234 1.00 10.79 H new ATOM 0 HG3 ARG A 5 -12.584 -6.945 -4.643 1.00 10.79 H new ATOM 0 HD2 ARG A 5 -11.500 -9.094 -5.594 1.00 11.30 H new ATOM 0 HD3 ARG A 5 -12.041 -8.600 -7.186 1.00 11.30 H new ATOM 0 HE ARG A 5 -10.547 -6.461 -5.991 1.00 12.29 H new ATOM 0 HH11 ARG A 5 -10.017 -9.619 -7.579 1.00 13.37 H new ATOM 0 HH12 ARG A 5 -8.349 -9.224 -8.006 1.00 13.37 H new ATOM 0 HH21 ARG A 5 -8.395 -6.034 -6.483 1.00 14.32 H new ATOM 0 HH22 ARG A 5 -7.437 -7.209 -7.389 1.00 14.32 H new ATOM 119 N GLN A 6 -11.649 -9.728 -3.013 1.00 6.44 N ATOM 120 CA GLN A 6 -10.546 -9.419 -2.132 1.00 5.41 C ATOM 121 C GLN A 6 -11.050 -9.378 -0.682 1.00 4.06 C ATOM 122 O GLN A 6 -12.119 -9.902 -0.372 1.00 4.23 O ATOM 123 CB GLN A 6 -9.918 -8.107 -2.639 1.00 5.95 C ATOM 124 CG GLN A 6 -8.408 -7.968 -2.443 1.00 6.21 C ATOM 125 CD GLN A 6 -7.601 -9.073 -3.111 1.00 7.44 C ATOM 126 OE1 GLN A 6 -7.241 -10.053 -2.473 1.00 7.77 O ATOM 127 NE2 GLN A 6 -7.298 -8.921 -4.397 1.00 8.65 N ATOM 0 H GLN A 6 -11.514 -10.583 -3.552 1.00 6.44 H new ATOM 0 HA GLN A 6 -9.764 -10.179 -2.138 1.00 5.41 H new ATOM 0 HB2 GLN A 6 -10.137 -8.010 -3.702 1.00 5.95 H new ATOM 0 HB3 GLN A 6 -10.408 -7.274 -2.135 1.00 5.95 H new ATOM 0 HG2 GLN A 6 -8.086 -7.005 -2.839 1.00 6.21 H new ATOM 0 HG3 GLN A 6 -8.188 -7.964 -1.375 1.00 6.21 H new ATOM 0 HE21 GLN A 6 -7.613 -8.092 -4.901 1.00 8.65 H new ATOM 0 HE22 GLN A 6 -6.750 -9.633 -4.880 1.00 8.65 H new ATOM 136 N THR A 7 -10.279 -8.746 0.198 1.00 3.28 N ATOM 137 CA THR A 7 -10.631 -8.567 1.598 1.00 2.35 C ATOM 138 C THR A 7 -10.099 -7.199 2.039 1.00 2.03 C ATOM 139 O THR A 7 -9.501 -7.063 3.103 1.00 2.22 O ATOM 140 CB THR A 7 -10.103 -9.759 2.436 1.00 2.71 C ATOM 141 OG1 THR A 7 -9.569 -10.791 1.625 1.00 4.38 O ATOM 142 CG2 THR A 7 -11.235 -10.375 3.259 1.00 3.25 C ATOM 0 H THR A 7 -9.377 -8.338 -0.049 1.00 3.28 H new ATOM 0 HA THR A 7 -11.710 -8.567 1.753 1.00 2.35 H new ATOM 0 HB THR A 7 -9.319 -9.356 3.076 1.00 2.71 H new ATOM 0 HG1 THR A 7 -9.247 -11.521 2.194 1.00 4.38 H new ATOM 0 HG21 THR A 7 -10.848 -11.211 3.842 1.00 3.25 H new ATOM 0 HG22 THR A 7 -11.646 -9.623 3.932 1.00 3.25 H new ATOM 0 HG23 THR A 7 -12.019 -10.731 2.590 1.00 3.25 H new ATOM 150 N TYR A 8 -10.292 -6.187 1.183 1.00 1.72 N ATOM 151 CA TYR A 8 -9.834 -4.823 1.404 1.00 1.41 C ATOM 152 C TYR A 8 -10.982 -3.861 1.121 1.00 1.35 C ATOM 153 O TYR A 8 -11.798 -4.103 0.233 1.00 1.88 O ATOM 154 CB TYR A 8 -8.668 -4.480 0.470 1.00 1.20 C ATOM 155 CG TYR A 8 -7.442 -5.370 0.539 1.00 1.14 C ATOM 156 CD1 TYR A 8 -6.893 -5.762 1.775 1.00 1.55 C ATOM 157 CD2 TYR A 8 -6.781 -5.726 -0.653 1.00 2.53 C ATOM 158 CE1 TYR A 8 -5.695 -6.497 1.813 1.00 1.71 C ATOM 159 CE2 TYR A 8 -5.621 -6.518 -0.614 1.00 2.58 C ATOM 160 CZ TYR A 8 -5.061 -6.877 0.621 1.00 1.45 C ATOM 161 OH TYR A 8 -3.846 -7.494 0.652 1.00 1.81 O ATOM 0 H TYR A 8 -10.784 -6.305 0.297 1.00 1.72 H new ATOM 0 HA TYR A 8 -9.499 -4.733 2.437 1.00 1.41 H new ATOM 0 HB2 TYR A 8 -9.040 -4.495 -0.555 1.00 1.20 H new ATOM 0 HB3 TYR A 8 -8.356 -3.457 0.681 1.00 1.20 H new ATOM 0 HD1 TYR A 8 -7.393 -5.498 2.695 1.00 1.55 H new ATOM 0 HD2 TYR A 8 -7.168 -5.388 -1.603 1.00 2.53 H new ATOM 0 HE1 TYR A 8 -5.261 -6.770 2.764 1.00 1.71 H new ATOM 0 HE2 TYR A 8 -5.161 -6.850 -1.533 1.00 2.58 H new ATOM 0 HH TYR A 8 -3.554 -7.688 -0.263 1.00 1.81 H new ATOM 171 N THR A 9 -11.017 -2.760 1.864 1.00 0.99 N ATOM 172 CA THR A 9 -12.007 -1.709 1.761 1.00 0.82 C ATOM 173 C THR A 9 -11.695 -0.804 0.563 1.00 0.65 C ATOM 174 O THR A 9 -10.549 -0.678 0.126 1.00 0.63 O ATOM 175 CB THR A 9 -12.024 -0.968 3.108 1.00 0.94 C ATOM 176 OG1 THR A 9 -10.737 -1.059 3.688 1.00 2.12 O ATOM 177 CG2 THR A 9 -13.006 -1.657 4.057 1.00 1.80 C ATOM 0 H THR A 9 -10.321 -2.573 2.586 1.00 0.99 H new ATOM 0 HA THR A 9 -13.005 -2.103 1.572 1.00 0.82 H new ATOM 0 HB THR A 9 -12.314 0.070 2.947 1.00 0.94 H new ATOM 0 HG1 THR A 9 -10.712 -1.814 4.312 1.00 2.12 H new ATOM 0 HG21 THR A 9 -13.018 -1.132 5.012 1.00 1.80 H new ATOM 0 HG22 THR A 9 -14.005 -1.641 3.621 1.00 1.80 H new ATOM 0 HG23 THR A 9 -12.696 -2.690 4.215 1.00 1.80 H new ATOM 185 N ARG A 10 -12.748 -0.251 -0.045 1.00 0.61 N ATOM 186 CA ARG A 10 -12.625 0.468 -1.303 1.00 0.55 C ATOM 187 C ARG A 10 -11.660 1.634 -1.108 1.00 0.47 C ATOM 188 O ARG A 10 -10.653 1.739 -1.799 1.00 0.45 O ATOM 189 CB ARG A 10 -14.015 0.911 -1.785 1.00 0.59 C ATOM 190 CG ARG A 10 -14.091 1.207 -3.288 1.00 0.98 C ATOM 191 CD ARG A 10 -13.790 -0.014 -4.168 1.00 2.11 C ATOM 192 NE ARG A 10 -12.372 -0.051 -4.574 1.00 3.76 N ATOM 193 CZ ARG A 10 -11.662 -1.155 -4.851 1.00 5.47 C ATOM 194 NH1 ARG A 10 -12.239 -2.362 -4.774 1.00 5.85 N ATOM 195 NH2 ARG A 10 -10.376 -1.048 -5.206 1.00 7.08 N ATOM 0 H ARG A 10 -13.699 -0.292 0.322 1.00 0.61 H new ATOM 0 HA ARG A 10 -12.215 -0.173 -2.083 1.00 0.55 H new ATOM 0 HB2 ARG A 10 -14.738 0.132 -1.542 1.00 0.59 H new ATOM 0 HB3 ARG A 10 -14.311 1.804 -1.234 1.00 0.59 H new ATOM 0 HG2 ARG A 10 -15.087 1.581 -3.527 1.00 0.98 H new ATOM 0 HG3 ARG A 10 -13.386 2.002 -3.530 1.00 0.98 H new ATOM 0 HD2 ARG A 10 -14.038 -0.926 -3.624 1.00 2.11 H new ATOM 0 HD3 ARG A 10 -14.423 0.010 -5.055 1.00 2.11 H new ATOM 0 HE ARG A 10 -11.888 0.843 -4.651 1.00 3.76 H new ATOM 0 HH11 ARG A 10 -13.219 -2.442 -4.504 1.00 5.85 H new ATOM 0 HH12 ARG A 10 -11.698 -3.200 -4.985 1.00 5.85 H new ATOM 0 HH21 ARG A 10 -9.938 -0.129 -5.265 1.00 7.08 H new ATOM 0 HH22 ARG A 10 -9.834 -1.886 -5.417 1.00 7.08 H new ATOM 209 N TYR A 11 -12.000 2.482 -0.128 1.00 0.48 N ATOM 210 CA TYR A 11 -11.264 3.673 0.272 1.00 0.47 C ATOM 211 C TYR A 11 -9.805 3.323 0.540 1.00 0.43 C ATOM 212 O TYR A 11 -8.906 3.960 0.009 1.00 0.41 O ATOM 213 CB TYR A 11 -11.925 4.272 1.523 1.00 0.55 C ATOM 214 CG TYR A 11 -11.224 5.500 2.076 1.00 0.59 C ATOM 215 CD1 TYR A 11 -11.502 6.764 1.523 1.00 1.93 C ATOM 216 CD2 TYR A 11 -10.285 5.386 3.120 1.00 2.21 C ATOM 217 CE1 TYR A 11 -10.821 7.902 1.988 1.00 1.94 C ATOM 218 CE2 TYR A 11 -9.608 6.527 3.584 1.00 2.24 C ATOM 219 CZ TYR A 11 -9.849 7.780 2.992 1.00 0.74 C ATOM 220 OH TYR A 11 -9.097 8.861 3.333 1.00 0.83 O ATOM 0 H TYR A 11 -12.841 2.342 0.432 1.00 0.48 H new ATOM 0 HA TYR A 11 -11.288 4.411 -0.530 1.00 0.47 H new ATOM 0 HB2 TYR A 11 -12.956 4.534 1.284 1.00 0.55 H new ATOM 0 HB3 TYR A 11 -11.962 3.509 2.300 1.00 0.55 H new ATOM 0 HD1 TYR A 11 -12.240 6.860 0.740 1.00 1.93 H new ATOM 0 HD2 TYR A 11 -10.085 4.422 3.564 1.00 2.21 H new ATOM 0 HE1 TYR A 11 -11.047 8.873 1.571 1.00 1.94 H new ATOM 0 HE2 TYR A 11 -8.902 6.442 4.396 1.00 2.24 H new ATOM 0 HH TYR A 11 -8.523 9.111 2.579 1.00 0.83 H new ATOM 230 N GLN A 12 -9.585 2.288 1.349 1.00 0.46 N ATOM 231 CA GLN A 12 -8.268 1.772 1.671 1.00 0.46 C ATOM 232 C GLN A 12 -7.466 1.516 0.397 1.00 0.35 C ATOM 233 O GLN A 12 -6.392 2.083 0.201 1.00 0.30 O ATOM 234 CB GLN A 12 -8.478 0.495 2.479 1.00 0.61 C ATOM 235 CG GLN A 12 -7.215 -0.321 2.703 1.00 0.77 C ATOM 236 CD GLN A 12 -7.540 -1.478 3.643 1.00 1.22 C ATOM 237 OE1 GLN A 12 -7.996 -1.260 4.760 1.00 1.91 O ATOM 238 NE2 GLN A 12 -7.344 -2.715 3.200 1.00 2.37 N ATOM 0 H GLN A 12 -10.340 1.777 1.807 1.00 0.46 H new ATOM 0 HA GLN A 12 -7.692 2.490 2.254 1.00 0.46 H new ATOM 0 HB2 GLN A 12 -8.903 0.758 3.448 1.00 0.61 H new ATOM 0 HB3 GLN A 12 -9.212 -0.127 1.968 1.00 0.61 H new ATOM 0 HG2 GLN A 12 -6.837 -0.700 1.754 1.00 0.77 H new ATOM 0 HG3 GLN A 12 -6.432 0.305 3.131 1.00 0.77 H new ATOM 0 HE21 GLN A 12 -6.963 -2.868 2.266 1.00 2.37 H new ATOM 0 HE22 GLN A 12 -7.574 -3.512 3.794 1.00 2.37 H new ATOM 247 N THR A 13 -7.992 0.651 -0.471 1.00 0.40 N ATOM 248 CA THR A 13 -7.325 0.343 -1.721 1.00 0.40 C ATOM 249 C THR A 13 -7.187 1.606 -2.581 1.00 0.35 C ATOM 250 O THR A 13 -6.152 1.757 -3.203 1.00 0.33 O ATOM 251 CB THR A 13 -8.027 -0.839 -2.403 1.00 0.59 C ATOM 252 OG1 THR A 13 -7.902 -1.968 -1.559 1.00 1.04 O ATOM 253 CG2 THR A 13 -7.419 -1.254 -3.745 1.00 0.70 C ATOM 0 H THR A 13 -8.873 0.158 -0.326 1.00 0.40 H new ATOM 0 HA THR A 13 -6.301 0.014 -1.544 1.00 0.40 H new ATOM 0 HB THR A 13 -9.052 -0.514 -2.581 1.00 0.59 H new ATOM 0 HG1 THR A 13 -8.345 -2.737 -1.974 1.00 1.04 H new ATOM 0 HG21 THR A 13 -7.979 -2.096 -4.153 1.00 0.70 H new ATOM 0 HG22 THR A 13 -7.465 -0.416 -4.440 1.00 0.70 H new ATOM 0 HG23 THR A 13 -6.379 -1.547 -3.598 1.00 0.70 H new ATOM 261 N LEU A 14 -8.151 2.535 -2.605 1.00 0.38 N ATOM 262 CA LEU A 14 -7.997 3.809 -3.313 1.00 0.40 C ATOM 263 C LEU A 14 -6.788 4.583 -2.798 1.00 0.36 C ATOM 264 O LEU A 14 -5.953 5.020 -3.588 1.00 0.37 O ATOM 265 CB LEU A 14 -9.239 4.706 -3.162 1.00 0.47 C ATOM 266 CG LEU A 14 -10.148 4.688 -4.393 1.00 0.56 C ATOM 267 CD1 LEU A 14 -11.163 3.550 -4.298 1.00 0.63 C ATOM 268 CD2 LEU A 14 -10.870 6.033 -4.505 1.00 0.63 C ATOM 0 H LEU A 14 -9.051 2.425 -2.138 1.00 0.38 H new ATOM 0 HA LEU A 14 -7.861 3.556 -4.364 1.00 0.40 H new ATOM 0 HB2 LEU A 14 -9.810 4.382 -2.292 1.00 0.47 H new ATOM 0 HB3 LEU A 14 -8.919 5.730 -2.970 1.00 0.47 H new ATOM 0 HG LEU A 14 -9.540 4.525 -5.283 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -11.799 3.555 -5.183 1.00 0.63 H new ATOM 0 HD12 LEU A 14 -10.637 2.597 -4.235 1.00 0.63 H new ATOM 0 HD13 LEU A 14 -11.778 3.684 -3.408 1.00 0.63 H new ATOM 0 HD21 LEU A 14 -11.519 6.026 -5.381 1.00 0.63 H new ATOM 0 HD22 LEU A 14 -11.470 6.200 -3.610 1.00 0.63 H new ATOM 0 HD23 LEU A 14 -10.136 6.833 -4.604 1.00 0.63 H new ATOM 280 N GLU A 15 -6.708 4.791 -1.483 1.00 0.38 N ATOM 281 CA GLU A 15 -5.581 5.471 -0.879 1.00 0.39 C ATOM 282 C GLU A 15 -4.311 4.749 -1.304 1.00 0.32 C ATOM 283 O GLU A 15 -3.358 5.403 -1.724 1.00 0.35 O ATOM 284 CB GLU A 15 -5.732 5.541 0.644 1.00 0.49 C ATOM 285 CG GLU A 15 -7.028 6.269 1.043 1.00 0.75 C ATOM 286 CD GLU A 15 -6.766 7.532 1.848 1.00 1.30 C ATOM 287 OE1 GLU A 15 -6.115 7.414 2.902 1.00 2.77 O ATOM 288 OE2 GLU A 15 -7.261 8.599 1.419 1.00 2.22 O ATOM 0 H GLU A 15 -7.421 4.492 -0.818 1.00 0.38 H new ATOM 0 HA GLU A 15 -5.533 6.505 -1.221 1.00 0.39 H new ATOM 0 HB2 GLU A 15 -5.736 4.533 1.058 1.00 0.49 H new ATOM 0 HB3 GLU A 15 -4.874 6.059 1.074 1.00 0.49 H new ATOM 0 HG2 GLU A 15 -7.588 6.526 0.144 1.00 0.75 H new ATOM 0 HG3 GLU A 15 -7.654 5.594 1.627 1.00 0.75 H new ATOM 295 N LEU A 16 -4.313 3.411 -1.260 1.00 0.28 N ATOM 296 CA LEU A 16 -3.081 2.691 -1.486 1.00 0.28 C ATOM 297 C LEU A 16 -2.767 2.755 -2.981 1.00 0.30 C ATOM 298 O LEU A 16 -1.603 2.829 -3.336 1.00 0.33 O ATOM 299 CB LEU A 16 -3.177 1.269 -0.921 1.00 0.36 C ATOM 300 CG LEU A 16 -2.760 1.084 0.553 1.00 0.45 C ATOM 301 CD1 LEU A 16 -3.340 -0.230 1.080 1.00 0.55 C ATOM 302 CD2 LEU A 16 -1.263 1.102 0.804 1.00 0.48 C ATOM 0 H LEU A 16 -5.132 2.832 -1.075 1.00 0.28 H new ATOM 0 HA LEU A 16 -2.246 3.146 -0.953 1.00 0.28 H new ATOM 0 HB2 LEU A 16 -4.206 0.928 -1.030 1.00 0.36 H new ATOM 0 HB3 LEU A 16 -2.558 0.615 -1.535 1.00 0.36 H new ATOM 0 HG LEU A 16 -3.160 1.948 1.083 1.00 0.45 H new ATOM 0 HD11 LEU A 16 -3.048 -0.365 2.121 1.00 0.55 H new ATOM 0 HD12 LEU A 16 -4.427 -0.202 1.009 1.00 0.55 H new ATOM 0 HD13 LEU A 16 -2.959 -1.060 0.486 1.00 0.55 H new ATOM 0 HD21 LEU A 16 -1.071 0.965 1.868 1.00 0.48 H new ATOM 0 HD22 LEU A 16 -0.790 0.296 0.243 1.00 0.48 H new ATOM 0 HD23 LEU A 16 -0.851 2.058 0.481 1.00 0.48 H new ATOM 314 N GLU A 17 -3.776 2.795 -3.857 1.00 0.32 N ATOM 315 CA GLU A 17 -3.660 3.007 -5.291 1.00 0.38 C ATOM 316 C GLU A 17 -3.030 4.386 -5.562 1.00 0.39 C ATOM 317 O GLU A 17 -2.056 4.471 -6.311 1.00 0.45 O ATOM 318 CB GLU A 17 -5.030 2.751 -5.977 1.00 0.48 C ATOM 319 CG GLU A 17 -5.254 1.239 -6.217 1.00 1.25 C ATOM 320 CD GLU A 17 -6.521 0.781 -6.960 1.00 2.11 C ATOM 321 OE1 GLU A 17 -7.649 0.864 -6.430 1.00 3.39 O ATOM 322 OE2 GLU A 17 -6.362 0.172 -8.043 1.00 2.50 O ATOM 0 H GLU A 17 -4.745 2.673 -3.562 1.00 0.32 H new ATOM 0 HA GLU A 17 -2.979 2.287 -5.745 1.00 0.38 H new ATOM 0 HB2 GLU A 17 -5.832 3.147 -5.355 1.00 0.48 H new ATOM 0 HB3 GLU A 17 -5.071 3.284 -6.927 1.00 0.48 H new ATOM 0 HG2 GLU A 17 -4.394 0.863 -6.771 1.00 1.25 H new ATOM 0 HG3 GLU A 17 -5.247 0.747 -5.244 1.00 1.25 H new ATOM 329 N LYS A 18 -3.518 5.456 -4.921 1.00 0.38 N ATOM 330 CA LYS A 18 -2.893 6.774 -5.008 1.00 0.42 C ATOM 331 C LYS A 18 -1.434 6.698 -4.539 1.00 0.41 C ATOM 332 O LYS A 18 -0.516 6.992 -5.309 1.00 0.52 O ATOM 333 CB LYS A 18 -3.712 7.828 -4.234 1.00 0.53 C ATOM 334 CG LYS A 18 -3.063 9.229 -4.253 1.00 0.74 C ATOM 335 CD LYS A 18 -2.895 9.849 -2.855 1.00 2.37 C ATOM 336 CE LYS A 18 -4.179 10.391 -2.195 1.00 2.94 C ATOM 337 NZ LYS A 18 -5.037 9.340 -1.600 1.00 4.14 N ATOM 0 H LYS A 18 -4.351 5.429 -4.333 1.00 0.38 H new ATOM 0 HA LYS A 18 -2.884 7.096 -6.049 1.00 0.42 H new ATOM 0 HB2 LYS A 18 -4.712 7.891 -4.664 1.00 0.53 H new ATOM 0 HB3 LYS A 18 -3.829 7.502 -3.201 1.00 0.53 H new ATOM 0 HG2 LYS A 18 -2.086 9.161 -4.731 1.00 0.74 H new ATOM 0 HG3 LYS A 18 -3.672 9.894 -4.865 1.00 0.74 H new ATOM 0 HD2 LYS A 18 -2.462 9.097 -2.196 1.00 2.37 H new ATOM 0 HD3 LYS A 18 -2.175 10.664 -2.925 1.00 2.37 H new ATOM 0 HE2 LYS A 18 -3.903 11.104 -1.418 1.00 2.94 H new ATOM 0 HE3 LYS A 18 -4.756 10.938 -2.940 1.00 2.94 H new ATOM 0 HZ1 LYS A 18 -5.826 9.784 -1.089 1.00 4.14 H new ATOM 0 HZ2 LYS A 18 -5.413 8.730 -2.354 1.00 4.14 H new ATOM 0 HZ3 LYS A 18 -4.475 8.766 -0.939 1.00 4.14 H new ATOM 351 N GLU A 19 -1.213 6.323 -3.277 1.00 0.38 N ATOM 352 CA GLU A 19 0.119 6.268 -2.695 1.00 0.39 C ATOM 353 C GLU A 19 1.046 5.338 -3.464 1.00 0.47 C ATOM 354 O GLU A 19 2.238 5.594 -3.531 1.00 0.73 O ATOM 355 CB GLU A 19 0.074 5.925 -1.203 1.00 0.55 C ATOM 356 CG GLU A 19 -0.026 7.248 -0.446 1.00 1.85 C ATOM 357 CD GLU A 19 -0.129 7.067 1.054 1.00 2.16 C ATOM 358 OE1 GLU A 19 -1.284 6.970 1.516 1.00 3.06 O ATOM 359 OE2 GLU A 19 0.945 7.045 1.696 1.00 2.72 O ATOM 0 H GLU A 19 -1.956 6.050 -2.634 1.00 0.38 H new ATOM 0 HA GLU A 19 0.541 7.269 -2.781 1.00 0.39 H new ATOM 0 HB2 GLU A 19 -0.781 5.287 -0.979 1.00 0.55 H new ATOM 0 HB3 GLU A 19 0.968 5.377 -0.906 1.00 0.55 H new ATOM 0 HG2 GLU A 19 0.849 7.857 -0.673 1.00 1.85 H new ATOM 0 HG3 GLU A 19 -0.898 7.798 -0.800 1.00 1.85 H new ATOM 366 N PHE A 20 0.519 4.285 -4.071 1.00 0.40 N ATOM 367 CA PHE A 20 1.271 3.369 -4.905 1.00 0.49 C ATOM 368 C PHE A 20 1.658 4.031 -6.221 1.00 0.50 C ATOM 369 O PHE A 20 2.806 3.932 -6.656 1.00 0.60 O ATOM 370 CB PHE A 20 0.411 2.136 -5.152 1.00 0.56 C ATOM 371 CG PHE A 20 1.000 1.186 -6.151 1.00 0.67 C ATOM 372 CD1 PHE A 20 0.764 1.385 -7.522 1.00 1.70 C ATOM 373 CD2 PHE A 20 1.894 0.201 -5.711 1.00 1.71 C ATOM 374 CE1 PHE A 20 1.407 0.569 -8.460 1.00 1.82 C ATOM 375 CE2 PHE A 20 2.544 -0.607 -6.651 1.00 1.67 C ATOM 376 CZ PHE A 20 2.295 -0.422 -8.018 1.00 0.85 C ATOM 0 H PHE A 20 -0.468 4.041 -3.993 1.00 0.40 H new ATOM 0 HA PHE A 20 2.195 3.082 -4.403 1.00 0.49 H new ATOM 0 HB2 PHE A 20 0.262 1.612 -4.208 1.00 0.56 H new ATOM 0 HB3 PHE A 20 -0.572 2.452 -5.500 1.00 0.56 H new ATOM 0 HD1 PHE A 20 0.090 2.163 -7.850 1.00 1.70 H new ATOM 0 HD2 PHE A 20 2.080 0.066 -4.656 1.00 1.71 H new ATOM 0 HE1 PHE A 20 1.221 0.702 -9.516 1.00 1.82 H new ATOM 0 HE2 PHE A 20 3.235 -1.370 -6.324 1.00 1.67 H new ATOM 0 HZ PHE A 20 2.794 -1.051 -8.740 1.00 0.85 H new ATOM 386 N HIS A 21 0.704 4.681 -6.903 1.00 0.49 N ATOM 387 CA HIS A 21 1.054 5.386 -8.126 1.00 0.65 C ATOM 388 C HIS A 21 2.094 6.462 -7.804 1.00 0.75 C ATOM 389 O HIS A 21 2.942 6.738 -8.650 1.00 1.00 O ATOM 390 CB HIS A 21 -0.168 5.863 -8.930 1.00 0.80 C ATOM 391 CG HIS A 21 -0.607 7.294 -8.734 1.00 1.58 C ATOM 392 ND1 HIS A 21 -1.865 7.694 -8.350 1.00 3.21 N ATOM 393 CD2 HIS A 21 0.064 8.415 -9.154 1.00 2.99 C ATOM 394 CE1 HIS A 21 -1.925 9.031 -8.475 1.00 4.31 C ATOM 395 NE2 HIS A 21 -0.773 9.516 -8.961 1.00 4.16 N ATOM 0 H HIS A 21 -0.279 4.729 -6.635 1.00 0.49 H new ATOM 0 HA HIS A 21 1.522 4.690 -8.822 1.00 0.65 H new ATOM 0 HB2 HIS A 21 0.046 5.717 -9.989 1.00 0.80 H new ATOM 0 HB3 HIS A 21 -1.009 5.215 -8.683 1.00 0.80 H new ATOM 0 HD2 HIS A 21 1.064 8.441 -9.562 1.00 2.99 H new ATOM 0 HE1 HIS A 21 -2.784 9.633 -8.219 1.00 4.31 H new ATOM 0 HE2 HIS A 21 -0.552 10.493 -9.152 1.00 4.16 H new ATOM 403 N PHE A 22 2.048 7.008 -6.582 1.00 0.61 N ATOM 404 CA PHE A 22 2.854 8.149 -6.178 1.00 0.60 C ATOM 405 C PHE A 22 4.242 7.674 -5.775 1.00 0.57 C ATOM 406 O PHE A 22 5.265 8.253 -6.137 1.00 0.74 O ATOM 407 CB PHE A 22 2.155 8.833 -4.991 1.00 0.65 C ATOM 408 CG PHE A 22 3.019 9.741 -4.140 1.00 0.69 C ATOM 409 CD1 PHE A 22 3.859 10.663 -4.799 1.00 1.71 C ATOM 410 CD2 PHE A 22 2.696 9.965 -2.789 1.00 1.63 C ATOM 411 CE1 PHE A 22 4.531 11.662 -4.079 1.00 1.81 C ATOM 412 CE2 PHE A 22 3.347 10.982 -2.068 1.00 1.82 C ATOM 413 CZ PHE A 22 4.297 11.803 -2.702 1.00 1.20 C ATOM 0 H PHE A 22 1.439 6.659 -5.842 1.00 0.61 H new ATOM 0 HA PHE A 22 2.959 8.856 -7.001 1.00 0.60 H new ATOM 0 HB2 PHE A 22 1.319 9.417 -5.376 1.00 0.65 H new ATOM 0 HB3 PHE A 22 1.734 8.059 -4.349 1.00 0.65 H new ATOM 0 HD1 PHE A 22 3.986 10.599 -5.870 1.00 1.71 H new ATOM 0 HD2 PHE A 22 1.947 9.355 -2.305 1.00 1.63 H new ATOM 0 HE1 PHE A 22 5.225 12.319 -4.582 1.00 1.81 H new ATOM 0 HE2 PHE A 22 3.117 11.133 -1.024 1.00 1.82 H new ATOM 0 HZ PHE A 22 4.844 12.539 -2.132 1.00 1.20 H new ATOM 423 N ASN A 23 4.261 6.637 -4.956 1.00 0.62 N ATOM 424 CA ASN A 23 5.425 6.124 -4.282 1.00 0.83 C ATOM 425 C ASN A 23 5.454 4.635 -4.540 1.00 0.74 C ATOM 426 O ASN A 23 4.740 3.866 -3.904 1.00 0.81 O ATOM 427 CB ASN A 23 5.360 6.404 -2.773 1.00 1.12 C ATOM 428 CG ASN A 23 5.388 7.878 -2.384 1.00 1.94 C ATOM 429 OD1 ASN A 23 5.012 8.229 -1.269 1.00 3.43 O ATOM 430 ND2 ASN A 23 5.834 8.762 -3.271 1.00 2.28 N ATOM 0 H ASN A 23 3.417 6.108 -4.737 1.00 0.62 H new ATOM 0 HA ASN A 23 6.327 6.609 -4.655 1.00 0.83 H new ATOM 0 HB2 ASN A 23 4.449 5.957 -2.376 1.00 1.12 H new ATOM 0 HB3 ASN A 23 6.198 5.901 -2.290 1.00 1.12 H new ATOM 0 HD21 ASN A 23 5.869 9.753 -3.031 1.00 2.28 H new ATOM 0 HD22 ASN A 23 6.142 8.450 -4.192 1.00 2.28 H new ATOM 437 N ARG A 24 6.367 4.229 -5.415 1.00 0.69 N ATOM 438 CA ARG A 24 6.752 2.842 -5.516 1.00 0.73 C ATOM 439 C ARG A 24 7.775 2.457 -4.434 1.00 0.77 C ATOM 440 O ARG A 24 8.184 1.297 -4.476 1.00 1.06 O ATOM 441 CB ARG A 24 7.243 2.525 -6.943 1.00 0.81 C ATOM 442 CG ARG A 24 6.234 1.649 -7.704 1.00 1.48 C ATOM 443 CD ARG A 24 6.330 1.847 -9.221 1.00 1.57 C ATOM 444 NE ARG A 24 5.820 3.160 -9.656 1.00 2.13 N ATOM 445 CZ ARG A 24 4.537 3.556 -9.624 1.00 3.86 C ATOM 446 NH1 ARG A 24 3.584 2.698 -9.247 1.00 4.87 N ATOM 447 NH2 ARG A 24 4.235 4.813 -9.967 1.00 5.29 N ATOM 0 H ARG A 24 6.851 4.850 -6.063 1.00 0.69 H new ATOM 0 HA ARG A 24 5.874 2.223 -5.330 1.00 0.73 H new ATOM 0 HB2 ARG A 24 7.404 3.455 -7.489 1.00 0.81 H new ATOM 0 HB3 ARG A 24 8.205 2.015 -6.893 1.00 0.81 H new ATOM 0 HG2 ARG A 24 6.411 0.601 -7.463 1.00 1.48 H new ATOM 0 HG3 ARG A 24 5.224 1.887 -7.371 1.00 1.48 H new ATOM 0 HD2 ARG A 24 7.370 1.744 -9.532 1.00 1.57 H new ATOM 0 HD3 ARG A 24 5.768 1.059 -9.723 1.00 1.57 H new ATOM 0 HE ARG A 24 6.503 3.828 -10.013 1.00 2.13 H new ATOM 0 HH11 ARG A 24 3.832 1.744 -8.984 1.00 4.87 H new ATOM 0 HH12 ARG A 24 2.609 2.997 -9.222 1.00 4.87 H new ATOM 0 HH21 ARG A 24 4.975 5.457 -10.248 1.00 5.29 H new ATOM 0 HH22 ARG A 24 3.265 5.128 -9.948 1.00 5.29 H new ATOM 461 N TYR A 25 8.123 3.305 -3.426 1.00 0.72 N ATOM 462 CA TYR A 25 8.605 2.650 -2.208 1.00 0.67 C ATOM 463 C TYR A 25 8.130 3.464 -1.038 1.00 0.62 C ATOM 464 O TYR A 25 8.070 4.688 -1.117 1.00 0.68 O ATOM 465 CB TYR A 25 10.130 2.475 -2.131 1.00 0.88 C ATOM 466 CG TYR A 25 10.690 1.207 -2.759 1.00 1.02 C ATOM 467 CD1 TYR A 25 10.669 -0.063 -2.170 1.00 2.52 C ATOM 468 CD2 TYR A 25 11.141 1.344 -4.097 1.00 1.94 C ATOM 469 CE1 TYR A 25 11.179 -1.167 -2.886 1.00 2.57 C ATOM 470 CE2 TYR A 25 11.600 0.236 -4.827 1.00 2.07 C ATOM 471 CZ TYR A 25 11.657 -1.012 -4.202 1.00 1.36 C ATOM 472 OH TYR A 25 12.213 -2.081 -4.851 1.00 1.56 O ATOM 0 H TYR A 25 8.084 4.324 -3.431 1.00 0.72 H new ATOM 0 HA TYR A 25 8.203 1.637 -2.205 1.00 0.67 H new ATOM 0 HB2 TYR A 25 10.599 3.333 -2.613 1.00 0.88 H new ATOM 0 HB3 TYR A 25 10.426 2.498 -1.082 1.00 0.88 H new ATOM 0 HD1 TYR A 25 10.266 -0.197 -1.177 1.00 2.52 H new ATOM 0 HD2 TYR A 25 11.131 2.318 -4.563 1.00 1.94 H new ATOM 0 HE1 TYR A 25 11.203 -2.141 -2.420 1.00 2.57 H new ATOM 0 HE2 TYR A 25 11.905 0.347 -5.857 1.00 2.07 H new ATOM 0 HH TYR A 25 12.635 -2.677 -4.198 1.00 1.56 H new ATOM 482 N LEU A 26 7.818 2.758 0.042 1.00 0.70 N ATOM 483 CA LEU A 26 7.548 3.358 1.320 1.00 0.67 C ATOM 484 C LEU A 26 8.750 3.046 2.209 1.00 0.65 C ATOM 485 O LEU A 26 9.188 1.899 2.296 1.00 0.83 O ATOM 486 CB LEU A 26 6.229 2.807 1.873 1.00 0.76 C ATOM 487 CG LEU A 26 5.019 3.024 0.940 1.00 0.81 C ATOM 488 CD1 LEU A 26 3.752 2.655 1.711 1.00 0.98 C ATOM 489 CD2 LEU A 26 4.874 4.465 0.432 1.00 0.91 C ATOM 0 H LEU A 26 7.747 1.740 0.043 1.00 0.70 H new ATOM 0 HA LEU A 26 7.422 4.439 1.261 1.00 0.67 H new ATOM 0 HB2 LEU A 26 6.343 1.739 2.061 1.00 0.76 H new ATOM 0 HB3 LEU A 26 6.024 3.280 2.834 1.00 0.76 H new ATOM 0 HG LEU A 26 5.176 2.396 0.063 1.00 0.81 H new ATOM 0 HD11 LEU A 26 2.881 2.800 1.071 1.00 0.98 H new ATOM 0 HD12 LEU A 26 3.805 1.611 2.020 1.00 0.98 H new ATOM 0 HD13 LEU A 26 3.665 3.290 2.593 1.00 0.98 H new ATOM 0 HD21 LEU A 26 4.001 4.536 -0.217 1.00 0.91 H new ATOM 0 HD22 LEU A 26 4.751 5.139 1.280 1.00 0.91 H new ATOM 0 HD23 LEU A 26 5.766 4.745 -0.128 1.00 0.91 H new ATOM 501 N THR A 27 9.256 4.078 2.878 1.00 0.83 N ATOM 502 CA THR A 27 10.296 4.023 3.896 1.00 1.04 C ATOM 503 C THR A 27 9.684 3.599 5.237 1.00 1.06 C ATOM 504 O THR A 27 8.466 3.544 5.357 1.00 0.87 O ATOM 505 CB THR A 27 10.937 5.419 3.989 1.00 1.22 C ATOM 506 OG1 THR A 27 10.165 6.369 3.272 1.00 1.62 O ATOM 507 CG2 THR A 27 12.355 5.398 3.418 1.00 1.08 C ATOM 0 H THR A 27 8.931 5.030 2.713 1.00 0.83 H new ATOM 0 HA THR A 27 11.060 3.290 3.637 1.00 1.04 H new ATOM 0 HB THR A 27 10.974 5.700 5.041 1.00 1.22 H new ATOM 0 HG1 THR A 27 10.585 7.252 3.342 1.00 1.62 H new ATOM 0 HG21 THR A 27 12.792 6.394 3.492 1.00 1.08 H new ATOM 0 HG22 THR A 27 12.964 4.691 3.982 1.00 1.08 H new ATOM 0 HG23 THR A 27 12.322 5.094 2.372 1.00 1.08 H new ATOM 515 N ARG A 28 10.511 3.249 6.234 1.00 1.31 N ATOM 516 CA ARG A 28 10.035 2.705 7.508 1.00 1.33 C ATOM 517 C ARG A 28 8.922 3.589 8.078 1.00 1.07 C ATOM 518 O ARG A 28 7.770 3.168 8.201 1.00 0.96 O ATOM 519 CB ARG A 28 11.200 2.576 8.513 1.00 1.63 C ATOM 520 CG ARG A 28 10.736 1.976 9.858 1.00 1.72 C ATOM 521 CD ARG A 28 11.480 2.551 11.075 1.00 2.41 C ATOM 522 NE ARG A 28 10.703 2.366 12.319 1.00 2.57 N ATOM 523 CZ ARG A 28 9.685 3.148 12.724 1.00 3.68 C ATOM 524 NH1 ARG A 28 9.307 4.187 11.974 1.00 4.48 N ATOM 525 NH2 ARG A 28 9.041 2.892 13.868 1.00 4.86 N ATOM 0 H ARG A 28 11.526 3.336 6.177 1.00 1.31 H new ATOM 0 HA ARG A 28 9.629 1.709 7.331 1.00 1.33 H new ATOM 0 HB2 ARG A 28 11.981 1.947 8.085 1.00 1.63 H new ATOM 0 HB3 ARG A 28 11.641 3.558 8.686 1.00 1.63 H new ATOM 0 HG2 ARG A 28 9.667 2.155 9.977 1.00 1.72 H new ATOM 0 HG3 ARG A 28 10.877 0.895 9.833 1.00 1.72 H new ATOM 0 HD2 ARG A 28 12.450 2.064 11.174 1.00 2.41 H new ATOM 0 HD3 ARG A 28 11.671 3.613 10.918 1.00 2.41 H new ATOM 0 HE ARG A 28 10.959 1.582 12.919 1.00 2.57 H new ATOM 0 HH11 ARG A 28 9.789 4.386 11.098 1.00 4.48 H new ATOM 0 HH12 ARG A 28 8.536 4.782 12.278 1.00 4.48 H new ATOM 0 HH21 ARG A 28 9.320 2.097 14.443 1.00 4.86 H new ATOM 0 HH22 ARG A 28 8.271 3.491 14.165 1.00 4.86 H new ATOM 539 N ARG A 29 9.288 4.818 8.458 1.00 1.04 N ATOM 540 CA ARG A 29 8.352 5.737 9.081 1.00 0.87 C ATOM 541 C ARG A 29 7.144 5.950 8.177 1.00 0.77 C ATOM 542 O ARG A 29 6.029 6.002 8.675 1.00 0.75 O ATOM 543 CB ARG A 29 9.039 7.056 9.458 1.00 1.02 C ATOM 544 CG ARG A 29 8.276 7.742 10.601 1.00 1.16 C ATOM 545 CD ARG A 29 8.839 9.131 10.912 1.00 2.08 C ATOM 546 NE ARG A 29 8.533 10.083 9.831 1.00 3.49 N ATOM 547 CZ ARG A 29 8.930 11.366 9.797 1.00 4.87 C ATOM 548 NH1 ARG A 29 9.663 11.863 10.800 1.00 5.18 N ATOM 549 NH2 ARG A 29 8.591 12.141 8.762 1.00 6.53 N ATOM 0 H ARG A 29 10.230 5.192 8.341 1.00 1.04 H new ATOM 0 HA ARG A 29 7.993 5.298 10.012 1.00 0.87 H new ATOM 0 HB2 ARG A 29 10.068 6.865 9.761 1.00 1.02 H new ATOM 0 HB3 ARG A 29 9.079 7.715 8.591 1.00 1.02 H new ATOM 0 HG2 ARG A 29 7.223 7.829 10.333 1.00 1.16 H new ATOM 0 HG3 ARG A 29 8.327 7.121 11.495 1.00 1.16 H new ATOM 0 HD2 ARG A 29 8.420 9.495 11.850 1.00 2.08 H new ATOM 0 HD3 ARG A 29 9.918 9.067 11.049 1.00 2.08 H new ATOM 0 HE ARG A 29 7.976 9.742 9.047 1.00 3.49 H new ATOM 0 HH11 ARG A 29 9.919 11.268 11.588 1.00 5.18 H new ATOM 0 HH12 ARG A 29 9.966 12.837 10.777 1.00 5.18 H new ATOM 0 HH21 ARG A 29 8.032 11.758 8.000 1.00 6.53 H new ATOM 0 HH22 ARG A 29 8.892 13.115 8.734 1.00 6.53 H new ATOM 563 N ARG A 30 7.357 6.033 6.863 1.00 0.74 N ATOM 564 CA ARG A 30 6.278 6.104 5.893 1.00 0.66 C ATOM 565 C ARG A 30 5.295 4.932 6.054 1.00 0.63 C ATOM 566 O ARG A 30 4.105 5.147 6.246 1.00 0.62 O ATOM 567 CB ARG A 30 6.860 6.199 4.476 1.00 0.71 C ATOM 568 CG ARG A 30 5.839 6.802 3.512 1.00 0.81 C ATOM 569 CD ARG A 30 5.543 8.276 3.825 1.00 1.12 C ATOM 570 NE ARG A 30 4.095 8.565 3.801 1.00 1.39 N ATOM 571 CZ ARG A 30 3.562 9.797 3.795 1.00 2.45 C ATOM 572 NH1 ARG A 30 4.366 10.866 3.758 1.00 3.11 N ATOM 573 NH2 ARG A 30 2.241 9.960 3.841 1.00 3.29 N ATOM 0 H ARG A 30 8.288 6.053 6.446 1.00 0.74 H new ATOM 0 HA ARG A 30 5.696 7.007 6.075 1.00 0.66 H new ATOM 0 HB2 ARG A 30 7.762 6.811 4.488 1.00 0.71 H new ATOM 0 HB3 ARG A 30 7.152 5.207 4.130 1.00 0.71 H new ATOM 0 HG2 ARG A 30 6.212 6.717 2.491 1.00 0.81 H new ATOM 0 HG3 ARG A 30 4.913 6.229 3.562 1.00 0.81 H new ATOM 0 HD2 ARG A 30 5.947 8.527 4.806 1.00 1.12 H new ATOM 0 HD3 ARG A 30 6.052 8.910 3.099 1.00 1.12 H new ATOM 0 HE ARG A 30 3.454 7.772 3.788 1.00 1.39 H new ATOM 0 HH11 ARG A 30 5.378 10.742 3.735 1.00 3.11 H new ATOM 0 HH12 ARG A 30 3.967 11.805 3.753 1.00 3.11 H new ATOM 0 HH21 ARG A 30 1.628 9.146 3.881 1.00 3.29 H new ATOM 0 HH22 ARG A 30 1.843 10.899 3.836 1.00 3.29 H new ATOM 587 N ARG A 31 5.741 3.684 5.900 1.00 0.63 N ATOM 588 CA ARG A 31 4.831 2.539 5.907 1.00 0.64 C ATOM 589 C ARG A 31 4.090 2.480 7.252 1.00 0.64 C ATOM 590 O ARG A 31 2.958 2.009 7.348 1.00 0.67 O ATOM 591 CB ARG A 31 5.595 1.227 5.631 1.00 0.67 C ATOM 592 CG ARG A 31 4.876 0.289 4.646 1.00 1.02 C ATOM 593 CD ARG A 31 4.936 -1.182 5.087 1.00 0.60 C ATOM 594 NE ARG A 31 4.152 -1.370 6.313 1.00 2.58 N ATOM 595 CZ ARG A 31 4.588 -1.416 7.586 1.00 3.85 C ATOM 596 NH1 ARG A 31 5.876 -1.649 7.865 1.00 3.65 N ATOM 597 NH2 ARG A 31 3.728 -1.201 8.587 1.00 6.07 N ATOM 0 H ARG A 31 6.723 3.442 5.769 1.00 0.63 H new ATOM 0 HA ARG A 31 4.098 2.661 5.109 1.00 0.64 H new ATOM 0 HB2 ARG A 31 6.582 1.468 5.235 1.00 0.67 H new ATOM 0 HB3 ARG A 31 5.749 0.701 6.573 1.00 0.67 H new ATOM 0 HG2 ARG A 31 3.834 0.595 4.552 1.00 1.02 H new ATOM 0 HG3 ARG A 31 5.328 0.388 3.659 1.00 1.02 H new ATOM 0 HD2 ARG A 31 4.549 -1.824 4.296 1.00 0.60 H new ATOM 0 HD3 ARG A 31 5.971 -1.477 5.259 1.00 0.60 H new ATOM 0 HE ARG A 31 3.146 -1.480 6.184 1.00 2.58 H new ATOM 0 HH11 ARG A 31 6.544 -1.795 7.108 1.00 3.65 H new ATOM 0 HH12 ARG A 31 6.190 -1.681 8.835 1.00 3.65 H new ATOM 0 HH21 ARG A 31 2.748 -1.004 8.384 1.00 6.07 H new ATOM 0 HH22 ARG A 31 4.052 -1.234 9.554 1.00 6.07 H new ATOM 611 N ILE A 32 4.772 2.877 8.333 1.00 0.70 N ATOM 612 CA ILE A 32 4.113 3.002 9.620 1.00 0.70 C ATOM 613 C ILE A 32 3.082 4.135 9.550 1.00 0.65 C ATOM 614 O ILE A 32 1.966 3.953 10.024 1.00 0.65 O ATOM 615 CB ILE A 32 5.132 3.146 10.772 1.00 0.72 C ATOM 616 CG1 ILE A 32 5.646 1.766 11.232 1.00 0.69 C ATOM 617 CG2 ILE A 32 4.481 3.812 11.997 1.00 0.78 C ATOM 618 CD1 ILE A 32 6.543 1.031 10.233 1.00 1.90 C ATOM 0 H ILE A 32 5.765 3.112 8.335 1.00 0.70 H new ATOM 0 HA ILE A 32 3.570 2.085 9.849 1.00 0.70 H new ATOM 0 HB ILE A 32 5.953 3.754 10.390 1.00 0.72 H new ATOM 0 HG12 ILE A 32 6.198 1.895 12.163 1.00 0.69 H new ATOM 0 HG13 ILE A 32 4.787 1.134 11.456 1.00 0.69 H new ATOM 0 HG21 ILE A 32 5.217 3.903 12.796 1.00 0.78 H new ATOM 0 HG22 ILE A 32 4.119 4.803 11.723 1.00 0.78 H new ATOM 0 HG23 ILE A 32 3.645 3.203 12.341 1.00 0.78 H new ATOM 0 HD11 ILE A 32 6.849 0.073 10.654 1.00 1.90 H new ATOM 0 HD12 ILE A 32 5.994 0.861 9.307 1.00 1.90 H new ATOM 0 HD13 ILE A 32 7.427 1.634 10.025 1.00 1.90 H new ATOM 630 N GLU A 33 3.423 5.291 8.973 1.00 0.64 N ATOM 631 CA GLU A 33 2.507 6.419 8.900 1.00 0.63 C ATOM 632 C GLU A 33 1.255 6.025 8.123 1.00 0.65 C ATOM 633 O GLU A 33 0.157 6.168 8.647 1.00 0.66 O ATOM 634 CB GLU A 33 3.194 7.732 8.463 1.00 0.64 C ATOM 635 CG GLU A 33 3.058 8.172 6.996 1.00 0.80 C ATOM 636 CD GLU A 33 1.659 8.651 6.642 1.00 1.59 C ATOM 637 OE1 GLU A 33 1.085 9.399 7.456 1.00 2.85 O ATOM 638 OE2 GLU A 33 1.229 8.299 5.523 1.00 2.47 O ATOM 0 H GLU A 33 4.334 5.465 8.549 1.00 0.64 H new ATOM 0 HA GLU A 33 2.164 6.668 9.904 1.00 0.63 H new ATOM 0 HB2 GLU A 33 2.805 8.535 9.089 1.00 0.64 H new ATOM 0 HB3 GLU A 33 4.257 7.641 8.686 1.00 0.64 H new ATOM 0 HG2 GLU A 33 3.771 8.972 6.796 1.00 0.80 H new ATOM 0 HG3 GLU A 33 3.325 7.338 6.347 1.00 0.80 H new ATOM 645 N ILE A 34 1.402 5.436 6.932 1.00 0.65 N ATOM 646 CA ILE A 34 0.270 4.983 6.156 1.00 0.67 C ATOM 647 C ILE A 34 -0.535 3.965 6.981 1.00 0.61 C ATOM 648 O ILE A 34 -1.759 4.045 7.041 1.00 0.65 O ATOM 649 CB ILE A 34 0.739 4.510 4.764 1.00 0.75 C ATOM 650 CG1 ILE A 34 -0.420 4.696 3.790 1.00 0.81 C ATOM 651 CG2 ILE A 34 1.194 3.055 4.742 1.00 1.45 C ATOM 652 CD1 ILE A 34 -0.156 4.061 2.423 1.00 1.75 C ATOM 0 H ILE A 34 2.306 5.266 6.492 1.00 0.65 H new ATOM 0 HA ILE A 34 -0.427 5.793 5.944 1.00 0.67 H new ATOM 0 HB ILE A 34 1.607 5.106 4.482 1.00 0.75 H new ATOM 0 HG12 ILE A 34 -1.322 4.260 4.219 1.00 0.81 H new ATOM 0 HG13 ILE A 34 -0.611 5.761 3.660 1.00 0.81 H new ATOM 0 HG21 ILE A 34 1.510 2.788 3.734 1.00 1.45 H new ATOM 0 HG22 ILE A 34 2.029 2.924 5.431 1.00 1.45 H new ATOM 0 HG23 ILE A 34 0.369 2.411 5.046 1.00 1.45 H new ATOM 0 HD11 ILE A 34 -1.015 4.226 1.773 1.00 1.75 H new ATOM 0 HD12 ILE A 34 0.729 4.514 1.976 1.00 1.75 H new ATOM 0 HD13 ILE A 34 0.007 2.990 2.545 1.00 1.75 H new ATOM 664 N ALA A 35 0.136 3.049 7.695 1.00 0.56 N ATOM 665 CA ALA A 35 -0.562 2.115 8.573 1.00 0.56 C ATOM 666 C ALA A 35 -1.277 2.823 9.725 1.00 0.73 C ATOM 667 O ALA A 35 -2.337 2.363 10.133 1.00 0.84 O ATOM 668 CB ALA A 35 0.372 1.017 9.089 1.00 0.56 C ATOM 0 H ALA A 35 1.150 2.940 7.679 1.00 0.56 H new ATOM 0 HA ALA A 35 -1.332 1.637 7.967 1.00 0.56 H new ATOM 0 HB1 ALA A 35 -0.184 0.342 9.739 1.00 0.56 H new ATOM 0 HB2 ALA A 35 0.777 0.457 8.246 1.00 0.56 H new ATOM 0 HB3 ALA A 35 1.190 1.469 9.650 1.00 0.56 H new ATOM 674 N HIS A 36 -0.729 3.922 10.250 1.00 0.86 N ATOM 675 CA HIS A 36 -1.332 4.675 11.342 1.00 1.06 C ATOM 676 C HIS A 36 -2.542 5.457 10.841 1.00 0.85 C ATOM 677 O HIS A 36 -3.576 5.501 11.501 1.00 0.97 O ATOM 678 CB HIS A 36 -0.298 5.618 11.993 1.00 1.43 C ATOM 679 CG HIS A 36 0.374 5.060 13.221 1.00 1.77 C ATOM 680 ND1 HIS A 36 1.657 5.327 13.648 1.00 3.21 N ATOM 681 CD2 HIS A 36 -0.260 4.392 14.232 1.00 2.74 C ATOM 682 CE1 HIS A 36 1.793 4.795 14.876 1.00 3.83 C ATOM 683 NE2 HIS A 36 0.652 4.211 15.274 1.00 3.93 N ATOM 0 H HIS A 36 0.154 4.314 9.923 1.00 0.86 H new ATOM 0 HA HIS A 36 -1.669 3.971 12.103 1.00 1.06 H new ATOM 0 HB2 HIS A 36 0.467 5.862 11.256 1.00 1.43 H new ATOM 0 HB3 HIS A 36 -0.794 6.552 12.259 1.00 1.43 H new ATOM 0 HD2 HIS A 36 -1.288 4.062 14.226 1.00 2.74 H new ATOM 0 HE1 HIS A 36 2.699 4.833 15.463 1.00 3.83 H new ATOM 0 HE2 HIS A 36 0.485 3.732 16.159 1.00 3.93 H new ATOM 691 N ALA A 37 -2.403 6.075 9.672 1.00 0.65 N ATOM 692 CA ALA A 37 -3.445 6.860 9.046 1.00 0.50 C ATOM 693 C ALA A 37 -4.608 5.963 8.644 1.00 0.46 C ATOM 694 O ALA A 37 -5.767 6.303 8.863 1.00 0.67 O ATOM 695 CB ALA A 37 -2.847 7.615 7.855 1.00 0.55 C ATOM 0 H ALA A 37 -1.541 6.039 9.127 1.00 0.65 H new ATOM 0 HA ALA A 37 -3.844 7.594 9.746 1.00 0.50 H new ATOM 0 HB1 ALA A 37 -3.623 8.211 7.375 1.00 0.55 H new ATOM 0 HB2 ALA A 37 -2.050 8.271 8.204 1.00 0.55 H new ATOM 0 HB3 ALA A 37 -2.442 6.901 7.138 1.00 0.55 H new ATOM 701 N LEU A 38 -4.282 4.814 8.053 1.00 0.44 N ATOM 702 CA LEU A 38 -5.255 3.945 7.416 1.00 0.53 C ATOM 703 C LEU A 38 -5.735 2.829 8.346 1.00 0.76 C ATOM 704 O LEU A 38 -6.846 2.329 8.189 1.00 1.03 O ATOM 705 CB LEU A 38 -4.627 3.431 6.116 1.00 0.44 C ATOM 706 CG LEU A 38 -5.618 3.261 4.961 1.00 0.63 C ATOM 707 CD1 LEU A 38 -6.340 4.587 4.674 1.00 0.74 C ATOM 708 CD2 LEU A 38 -4.804 2.864 3.725 1.00 0.62 C ATOM 0 H LEU A 38 -3.326 4.463 8.006 1.00 0.44 H new ATOM 0 HA LEU A 38 -6.164 4.498 7.181 1.00 0.53 H new ATOM 0 HB2 LEU A 38 -3.843 4.122 5.807 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -4.148 2.472 6.312 1.00 0.44 H new ATOM 0 HG LEU A 38 -6.365 2.508 5.213 1.00 0.63 H new ATOM 0 HD11 LEU A 38 -7.041 4.449 3.851 1.00 0.74 H new ATOM 0 HD12 LEU A 38 -6.884 4.905 5.564 1.00 0.74 H new ATOM 0 HD13 LEU A 38 -5.608 5.349 4.404 1.00 0.74 H new ATOM 0 HD21 LEU A 38 -5.474 2.732 2.875 1.00 0.62 H new ATOM 0 HD22 LEU A 38 -4.081 3.647 3.499 1.00 0.62 H new ATOM 0 HD23 LEU A 38 -4.278 1.930 3.921 1.00 0.62 H new ATOM 720 N SER A 39 -4.915 2.460 9.332 1.00 1.05 N ATOM 721 CA SER A 39 -5.231 1.504 10.388 1.00 1.33 C ATOM 722 C SER A 39 -5.197 0.077 9.833 1.00 1.16 C ATOM 723 O SER A 39 -6.218 -0.600 9.747 1.00 1.38 O ATOM 724 CB SER A 39 -6.540 1.879 11.104 1.00 1.83 C ATOM 725 OG SER A 39 -6.526 1.404 12.438 1.00 2.95 O ATOM 0 H SER A 39 -3.971 2.838 9.417 1.00 1.05 H new ATOM 0 HA SER A 39 -4.466 1.545 11.164 1.00 1.33 H new ATOM 0 HB2 SER A 39 -6.668 2.961 11.098 1.00 1.83 H new ATOM 0 HB3 SER A 39 -7.389 1.454 10.569 1.00 1.83 H new ATOM 0 HG SER A 39 -7.364 1.651 12.882 1.00 2.95 H new ATOM 731 N LEU A 40 -3.997 -0.372 9.448 1.00 0.85 N ATOM 732 CA LEU A 40 -3.745 -1.696 8.887 1.00 0.68 C ATOM 733 C LEU A 40 -2.518 -2.315 9.553 1.00 0.56 C ATOM 734 O LEU A 40 -1.779 -1.648 10.273 1.00 0.67 O ATOM 735 CB LEU A 40 -3.505 -1.573 7.377 1.00 0.69 C ATOM 736 CG LEU A 40 -4.802 -1.398 6.581 1.00 1.03 C ATOM 737 CD1 LEU A 40 -4.531 -0.595 5.298 1.00 1.34 C ATOM 738 CD2 LEU A 40 -5.399 -2.782 6.269 1.00 1.14 C ATOM 0 H LEU A 40 -3.153 0.195 9.522 1.00 0.85 H new ATOM 0 HA LEU A 40 -4.610 -2.335 9.067 1.00 0.68 H new ATOM 0 HB2 LEU A 40 -2.850 -0.723 7.186 1.00 0.69 H new ATOM 0 HB3 LEU A 40 -2.984 -2.463 7.023 1.00 0.69 H new ATOM 0 HG LEU A 40 -5.527 -0.837 7.171 1.00 1.03 H new ATOM 0 HD11 LEU A 40 -5.460 -0.477 4.740 1.00 1.34 H new ATOM 0 HD12 LEU A 40 -4.137 0.387 5.560 1.00 1.34 H new ATOM 0 HD13 LEU A 40 -3.804 -1.126 4.684 1.00 1.34 H new ATOM 0 HD21 LEU A 40 -6.322 -2.661 5.703 1.00 1.14 H new ATOM 0 HD22 LEU A 40 -4.687 -3.362 5.682 1.00 1.14 H new ATOM 0 HD23 LEU A 40 -5.611 -3.305 7.201 1.00 1.14 H new ATOM 750 N THR A 41 -2.297 -3.600 9.283 1.00 0.78 N ATOM 751 CA THR A 41 -1.161 -4.372 9.754 1.00 0.94 C ATOM 752 C THR A 41 -0.033 -4.300 8.722 1.00 0.90 C ATOM 753 O THR A 41 -0.275 -4.169 7.519 1.00 0.73 O ATOM 754 CB THR A 41 -1.603 -5.827 10.006 1.00 1.08 C ATOM 755 OG1 THR A 41 -2.801 -6.111 9.314 1.00 1.28 O ATOM 756 CG2 THR A 41 -1.847 -6.088 11.492 1.00 1.23 C ATOM 0 H THR A 41 -2.934 -4.149 8.706 1.00 0.78 H new ATOM 0 HA THR A 41 -0.788 -3.962 10.692 1.00 0.94 H new ATOM 0 HB THR A 41 -0.796 -6.467 9.649 1.00 1.08 H new ATOM 0 HG1 THR A 41 -3.065 -7.039 9.484 1.00 1.28 H new ATOM 0 HG21 THR A 41 -2.157 -7.123 11.633 1.00 1.23 H new ATOM 0 HG22 THR A 41 -0.928 -5.905 12.049 1.00 1.23 H new ATOM 0 HG23 THR A 41 -2.630 -5.422 11.855 1.00 1.23 H new ATOM 764 N GLU A 42 1.210 -4.401 9.201 1.00 1.12 N ATOM 765 CA GLU A 42 2.409 -4.303 8.387 1.00 1.09 C ATOM 766 C GLU A 42 2.366 -5.264 7.203 1.00 0.96 C ATOM 767 O GLU A 42 2.457 -4.841 6.053 1.00 0.95 O ATOM 768 CB GLU A 42 3.639 -4.511 9.283 1.00 1.27 C ATOM 769 CG GLU A 42 3.673 -5.865 10.016 1.00 3.28 C ATOM 770 CD GLU A 42 4.723 -5.884 11.113 1.00 4.00 C ATOM 771 OE1 GLU A 42 5.648 -5.048 11.021 1.00 4.04 O ATOM 772 OE2 GLU A 42 4.567 -6.739 12.009 1.00 5.24 O ATOM 0 H GLU A 42 1.407 -4.557 10.190 1.00 1.12 H new ATOM 0 HA GLU A 42 2.472 -3.308 7.948 1.00 1.09 H new ATOM 0 HB2 GLU A 42 4.537 -4.420 8.672 1.00 1.27 H new ATOM 0 HB3 GLU A 42 3.674 -3.711 10.022 1.00 1.27 H new ATOM 0 HG2 GLU A 42 2.693 -6.070 10.447 1.00 3.28 H new ATOM 0 HG3 GLU A 42 3.880 -6.661 9.301 1.00 3.28 H new ATOM 779 N ARG A 43 2.181 -6.546 7.509 1.00 1.00 N ATOM 780 CA ARG A 43 1.915 -7.599 6.549 1.00 1.06 C ATOM 781 C ARG A 43 0.841 -7.187 5.535 1.00 0.90 C ATOM 782 O ARG A 43 1.094 -7.239 4.339 1.00 0.88 O ATOM 783 CB ARG A 43 1.530 -8.901 7.275 1.00 1.27 C ATOM 784 CG ARG A 43 2.380 -9.129 8.539 1.00 1.75 C ATOM 785 CD ARG A 43 2.618 -10.620 8.842 1.00 2.30 C ATOM 786 NE ARG A 43 1.990 -11.027 10.108 1.00 3.13 N ATOM 787 CZ ARG A 43 2.371 -12.072 10.864 1.00 4.10 C ATOM 788 NH1 ARG A 43 3.338 -12.896 10.444 1.00 4.53 N ATOM 789 NH2 ARG A 43 1.777 -12.287 12.043 1.00 5.22 N ATOM 0 H ARG A 43 2.215 -6.886 8.470 1.00 1.00 H new ATOM 0 HA ARG A 43 2.830 -7.777 5.985 1.00 1.06 H new ATOM 0 HB2 ARG A 43 0.476 -8.865 7.549 1.00 1.27 H new ATOM 0 HB3 ARG A 43 1.655 -9.745 6.597 1.00 1.27 H new ATOM 0 HG2 ARG A 43 3.342 -8.630 8.419 1.00 1.75 H new ATOM 0 HG3 ARG A 43 1.885 -8.665 9.392 1.00 1.75 H new ATOM 0 HD2 ARG A 43 2.219 -11.225 8.028 1.00 2.30 H new ATOM 0 HD3 ARG A 43 3.689 -10.815 8.889 1.00 2.30 H new ATOM 0 HE ARG A 43 1.201 -10.472 10.440 1.00 3.13 H new ATOM 0 HH11 ARG A 43 3.792 -12.734 9.545 1.00 4.53 H new ATOM 0 HH12 ARG A 43 3.622 -13.686 11.023 1.00 4.53 H new ATOM 0 HH21 ARG A 43 1.039 -11.660 12.364 1.00 5.22 H new ATOM 0 HH22 ARG A 43 2.062 -13.078 12.621 1.00 5.22 H new ATOM 803 N GLN A 44 -0.346 -6.777 5.995 1.00 0.84 N ATOM 804 CA GLN A 44 -1.485 -6.472 5.128 1.00 0.79 C ATOM 805 C GLN A 44 -1.091 -5.410 4.109 1.00 0.65 C ATOM 806 O GLN A 44 -1.211 -5.630 2.903 1.00 0.60 O ATOM 807 CB GLN A 44 -2.690 -5.982 5.952 1.00 0.77 C ATOM 808 CG GLN A 44 -3.692 -7.100 6.294 1.00 1.13 C ATOM 809 CD GLN A 44 -5.005 -6.994 5.515 1.00 2.19 C ATOM 810 OE1 GLN A 44 -5.496 -5.906 5.232 1.00 3.90 O ATOM 811 NE2 GLN A 44 -5.601 -8.126 5.159 1.00 2.43 N ATOM 0 H GLN A 44 -0.543 -6.647 6.987 1.00 0.84 H new ATOM 0 HA GLN A 44 -1.773 -7.386 4.608 1.00 0.79 H new ATOM 0 HB2 GLN A 44 -2.329 -5.532 6.877 1.00 0.77 H new ATOM 0 HB3 GLN A 44 -3.206 -5.199 5.397 1.00 0.77 H new ATOM 0 HG2 GLN A 44 -3.232 -8.066 6.088 1.00 1.13 H new ATOM 0 HG3 GLN A 44 -3.908 -7.071 7.362 1.00 1.13 H new ATOM 0 HE21 GLN A 44 -5.180 -9.023 5.402 1.00 2.43 H new ATOM 0 HE22 GLN A 44 -6.480 -8.099 4.642 1.00 2.43 H new ATOM 820 N ILE A 45 -0.610 -4.268 4.604 1.00 0.65 N ATOM 821 CA ILE A 45 -0.142 -3.202 3.738 1.00 0.61 C ATOM 822 C ILE A 45 0.888 -3.769 2.768 1.00 0.61 C ATOM 823 O ILE A 45 0.795 -3.582 1.555 1.00 0.58 O ATOM 824 CB ILE A 45 0.448 -2.051 4.583 1.00 0.63 C ATOM 825 CG1 ILE A 45 -0.682 -1.421 5.425 1.00 0.85 C ATOM 826 CG2 ILE A 45 1.190 -1.035 3.694 1.00 0.62 C ATOM 827 CD1 ILE A 45 -0.636 0.105 5.500 1.00 0.66 C ATOM 0 H ILE A 45 -0.537 -4.065 5.601 1.00 0.65 H new ATOM 0 HA ILE A 45 -0.973 -2.793 3.164 1.00 0.61 H new ATOM 0 HB ILE A 45 1.201 -2.435 5.272 1.00 0.63 H new ATOM 0 HG12 ILE A 45 -1.642 -1.724 5.007 1.00 0.85 H new ATOM 0 HG13 ILE A 45 -0.633 -1.824 6.436 1.00 0.85 H new ATOM 0 HG21 ILE A 45 1.595 -0.236 4.315 1.00 0.62 H new ATOM 0 HG22 ILE A 45 2.004 -1.536 3.171 1.00 0.62 H new ATOM 0 HG23 ILE A 45 0.496 -0.613 2.967 1.00 0.62 H new ATOM 0 HD11 ILE A 45 -1.465 0.464 6.110 1.00 0.66 H new ATOM 0 HD12 ILE A 45 0.307 0.419 5.947 1.00 0.66 H new ATOM 0 HD13 ILE A 45 -0.718 0.521 4.496 1.00 0.66 H new ATOM 839 N LYS A 46 1.962 -4.324 3.320 1.00 0.61 N ATOM 840 CA LYS A 46 3.126 -4.618 2.517 1.00 0.60 C ATOM 841 C LYS A 46 2.742 -5.603 1.406 1.00 0.49 C ATOM 842 O LYS A 46 3.162 -5.441 0.266 1.00 0.55 O ATOM 843 CB LYS A 46 4.255 -5.074 3.451 1.00 0.68 C ATOM 844 CG LYS A 46 5.633 -4.929 2.803 1.00 0.92 C ATOM 845 CD LYS A 46 6.758 -4.962 3.856 1.00 2.16 C ATOM 846 CE LYS A 46 7.652 -3.713 3.768 1.00 3.15 C ATOM 847 NZ LYS A 46 8.601 -3.768 2.638 1.00 3.80 N ATOM 0 H LYS A 46 2.044 -4.573 4.306 1.00 0.61 H new ATOM 0 HA LYS A 46 3.508 -3.742 1.993 1.00 0.60 H new ATOM 0 HB2 LYS A 46 4.224 -4.488 4.370 1.00 0.68 H new ATOM 0 HB3 LYS A 46 4.095 -6.115 3.731 1.00 0.68 H new ATOM 0 HG2 LYS A 46 5.784 -5.733 2.082 1.00 0.92 H new ATOM 0 HG3 LYS A 46 5.679 -3.991 2.249 1.00 0.92 H new ATOM 0 HD2 LYS A 46 6.322 -5.029 4.853 1.00 2.16 H new ATOM 0 HD3 LYS A 46 7.365 -5.856 3.713 1.00 2.16 H new ATOM 0 HE2 LYS A 46 7.024 -2.828 3.666 1.00 3.15 H new ATOM 0 HE3 LYS A 46 8.208 -3.603 4.699 1.00 3.15 H new ATOM 0 HZ1 LYS A 46 9.177 -2.902 2.626 1.00 3.80 H new ATOM 0 HZ2 LYS A 46 9.221 -4.596 2.746 1.00 3.80 H new ATOM 0 HZ3 LYS A 46 8.073 -3.845 1.745 1.00 3.80 H new ATOM 861 N ILE A 47 1.951 -6.626 1.767 1.00 0.40 N ATOM 862 CA ILE A 47 1.367 -7.620 0.871 1.00 0.39 C ATOM 863 C ILE A 47 0.545 -6.918 -0.206 1.00 0.36 C ATOM 864 O ILE A 47 0.742 -7.190 -1.388 1.00 0.37 O ATOM 865 CB ILE A 47 0.531 -8.664 1.643 1.00 0.43 C ATOM 866 CG1 ILE A 47 1.464 -9.587 2.452 1.00 0.52 C ATOM 867 CG2 ILE A 47 -0.320 -9.506 0.674 1.00 0.59 C ATOM 868 CD1 ILE A 47 0.720 -10.385 3.531 1.00 1.76 C ATOM 0 H ILE A 47 1.693 -6.784 2.741 1.00 0.40 H new ATOM 0 HA ILE A 47 2.174 -8.171 0.387 1.00 0.39 H new ATOM 0 HB ILE A 47 -0.137 -8.136 2.323 1.00 0.43 H new ATOM 0 HG12 ILE A 47 1.961 -10.279 1.773 1.00 0.52 H new ATOM 0 HG13 ILE A 47 2.243 -8.987 2.922 1.00 0.52 H new ATOM 0 HG21 ILE A 47 -0.901 -10.235 1.239 1.00 0.59 H new ATOM 0 HG22 ILE A 47 -0.996 -8.853 0.122 1.00 0.59 H new ATOM 0 HG23 ILE A 47 0.334 -10.027 -0.026 1.00 0.59 H new ATOM 0 HD11 ILE A 47 1.427 -11.017 4.068 1.00 1.76 H new ATOM 0 HD12 ILE A 47 0.245 -9.697 4.230 1.00 1.76 H new ATOM 0 HD13 ILE A 47 -0.041 -11.009 3.062 1.00 1.76 H new ATOM 880 N TRP A 48 -0.358 -6.017 0.190 1.00 0.37 N ATOM 881 CA TRP A 48 -1.128 -5.216 -0.752 1.00 0.39 C ATOM 882 C TRP A 48 -0.171 -4.576 -1.774 1.00 0.36 C ATOM 883 O TRP A 48 -0.335 -4.756 -2.984 1.00 0.38 O ATOM 884 CB TRP A 48 -1.994 -4.208 0.028 1.00 0.45 C ATOM 885 CG TRP A 48 -2.929 -3.363 -0.778 1.00 0.59 C ATOM 886 CD1 TRP A 48 -4.276 -3.357 -0.681 1.00 0.97 C ATOM 887 CD2 TRP A 48 -2.599 -2.348 -1.769 1.00 0.49 C ATOM 888 NE1 TRP A 48 -4.808 -2.481 -1.605 1.00 1.03 N ATOM 889 CE2 TRP A 48 -3.808 -1.858 -2.333 1.00 0.71 C ATOM 890 CE3 TRP A 48 -1.401 -1.743 -2.204 1.00 0.35 C ATOM 891 CZ2 TRP A 48 -3.802 -0.899 -3.355 1.00 0.67 C ATOM 892 CZ3 TRP A 48 -1.378 -0.845 -3.279 1.00 0.36 C ATOM 893 CH2 TRP A 48 -2.583 -0.416 -3.850 1.00 0.44 C ATOM 0 H TRP A 48 -0.572 -5.826 1.169 1.00 0.37 H new ATOM 0 HA TRP A 48 -1.821 -5.829 -1.328 1.00 0.39 H new ATOM 0 HB2 TRP A 48 -2.581 -4.760 0.762 1.00 0.45 H new ATOM 0 HB3 TRP A 48 -1.329 -3.546 0.583 1.00 0.45 H new ATOM 0 HD1 TRP A 48 -4.851 -3.949 0.016 1.00 0.97 H new ATOM 0 HE1 TRP A 48 -5.806 -2.314 -1.735 1.00 1.03 H new ATOM 0 HE3 TRP A 48 -0.478 -1.978 -1.695 1.00 0.35 H new ATOM 0 HZ2 TRP A 48 -4.734 -0.533 -3.760 1.00 0.67 H new ATOM 0 HZ3 TRP A 48 -0.436 -0.485 -3.666 1.00 0.36 H new ATOM 0 HH2 TRP A 48 -2.573 0.286 -4.671 1.00 0.44 H new ATOM 904 N PHE A 49 0.861 -3.873 -1.286 1.00 0.34 N ATOM 905 CA PHE A 49 1.879 -3.256 -2.134 1.00 0.36 C ATOM 906 C PHE A 49 2.529 -4.300 -3.037 1.00 0.38 C ATOM 907 O PHE A 49 2.674 -4.075 -4.236 1.00 0.43 O ATOM 908 CB PHE A 49 2.932 -2.513 -1.290 1.00 0.38 C ATOM 909 CG PHE A 49 2.872 -1.004 -1.426 1.00 0.42 C ATOM 910 CD1 PHE A 49 1.835 -0.290 -0.799 1.00 1.65 C ATOM 911 CD2 PHE A 49 3.804 -0.314 -2.226 1.00 2.13 C ATOM 912 CE1 PHE A 49 1.706 1.094 -1.011 1.00 1.47 C ATOM 913 CE2 PHE A 49 3.691 1.078 -2.401 1.00 2.38 C ATOM 914 CZ PHE A 49 2.629 1.782 -1.806 1.00 0.92 C ATOM 0 H PHE A 49 1.009 -3.719 -0.289 1.00 0.34 H new ATOM 0 HA PHE A 49 1.390 -2.517 -2.769 1.00 0.36 H new ATOM 0 HB2 PHE A 49 2.798 -2.780 -0.242 1.00 0.38 H new ATOM 0 HB3 PHE A 49 3.925 -2.855 -1.581 1.00 0.38 H new ATOM 0 HD1 PHE A 49 1.138 -0.805 -0.155 1.00 1.65 H new ATOM 0 HD2 PHE A 49 4.607 -0.854 -2.706 1.00 2.13 H new ATOM 0 HE1 PHE A 49 0.887 1.631 -0.556 1.00 1.47 H new ATOM 0 HE2 PHE A 49 4.422 1.607 -2.994 1.00 2.38 H new ATOM 0 HZ PHE A 49 2.527 2.846 -1.962 1.00 0.92 H new ATOM 924 N GLN A 50 2.926 -5.437 -2.464 1.00 0.39 N ATOM 925 CA GLN A 50 3.540 -6.544 -3.178 1.00 0.45 C ATOM 926 C GLN A 50 2.665 -6.972 -4.348 1.00 0.47 C ATOM 927 O GLN A 50 3.168 -7.155 -5.446 1.00 0.51 O ATOM 928 CB GLN A 50 3.804 -7.725 -2.230 1.00 0.49 C ATOM 929 CG GLN A 50 5.299 -8.030 -2.103 1.00 0.67 C ATOM 930 CD GLN A 50 5.567 -9.311 -1.317 1.00 0.90 C ATOM 931 OE1 GLN A 50 6.379 -10.132 -1.728 1.00 1.90 O ATOM 932 NE2 GLN A 50 4.898 -9.504 -0.184 1.00 1.58 N ATOM 0 H GLN A 50 2.824 -5.612 -1.464 1.00 0.39 H new ATOM 0 HA GLN A 50 4.499 -6.210 -3.573 1.00 0.45 H new ATOM 0 HB2 GLN A 50 3.394 -7.499 -1.245 1.00 0.49 H new ATOM 0 HB3 GLN A 50 3.283 -8.609 -2.597 1.00 0.49 H new ATOM 0 HG2 GLN A 50 5.735 -8.120 -3.098 1.00 0.67 H new ATOM 0 HG3 GLN A 50 5.797 -7.194 -1.611 1.00 0.67 H new ATOM 0 HE21 GLN A 50 4.227 -8.806 0.137 1.00 1.58 H new ATOM 0 HE22 GLN A 50 5.056 -10.350 0.364 1.00 1.58 H new ATOM 941 N ASN A 51 1.364 -7.125 -4.115 1.00 0.48 N ATOM 942 CA ASN A 51 0.403 -7.547 -5.124 1.00 0.55 C ATOM 943 C ASN A 51 0.338 -6.500 -6.237 1.00 0.57 C ATOM 944 O ASN A 51 0.481 -6.807 -7.421 1.00 0.61 O ATOM 945 CB ASN A 51 -0.968 -7.739 -4.444 1.00 0.62 C ATOM 946 CG ASN A 51 -1.833 -8.820 -5.083 1.00 0.77 C ATOM 947 OD1 ASN A 51 -1.541 -9.329 -6.160 1.00 0.94 O ATOM 948 ND2 ASN A 51 -2.911 -9.197 -4.399 1.00 1.19 N ATOM 0 H ASN A 51 0.943 -6.955 -3.202 1.00 0.48 H new ATOM 0 HA ASN A 51 0.705 -8.492 -5.576 1.00 0.55 H new ATOM 0 HB2 ASN A 51 -0.810 -7.988 -3.395 1.00 0.62 H new ATOM 0 HB3 ASN A 51 -1.510 -6.793 -4.469 1.00 0.62 H new ATOM 0 HD21 ASN A 51 -3.520 -9.928 -4.768 1.00 1.19 H new ATOM 0 HD22 ASN A 51 -3.128 -8.755 -3.506 1.00 1.19 H new ATOM 955 N ARG A 52 0.060 -5.247 -5.866 1.00 0.57 N ATOM 956 CA ARG A 52 -0.128 -4.196 -6.861 1.00 0.56 C ATOM 957 C ARG A 52 1.157 -4.067 -7.690 1.00 0.55 C ATOM 958 O ARG A 52 1.122 -4.011 -8.917 1.00 0.49 O ATOM 959 CB ARG A 52 -0.574 -2.889 -6.169 1.00 0.68 C ATOM 960 CG ARG A 52 -1.871 -2.294 -6.756 1.00 1.29 C ATOM 961 CD ARG A 52 -1.629 -1.054 -7.622 1.00 1.43 C ATOM 962 NE ARG A 52 -2.873 -0.595 -8.265 1.00 1.79 N ATOM 963 CZ ARG A 52 -3.010 0.484 -9.057 1.00 3.07 C ATOM 964 NH1 ARG A 52 -1.958 1.167 -9.508 1.00 4.40 N ATOM 965 NH2 ARG A 52 -4.219 0.919 -9.389 1.00 3.61 N ATOM 0 H ARG A 52 -0.038 -4.942 -4.898 1.00 0.57 H new ATOM 0 HA ARG A 52 -0.929 -4.444 -7.558 1.00 0.56 H new ATOM 0 HB2 ARG A 52 -0.720 -3.082 -5.106 1.00 0.68 H new ATOM 0 HB3 ARG A 52 0.225 -2.152 -6.252 1.00 0.68 H new ATOM 0 HG2 ARG A 52 -2.373 -3.054 -7.354 1.00 1.29 H new ATOM 0 HG3 ARG A 52 -2.545 -2.033 -5.940 1.00 1.29 H new ATOM 0 HD2 ARG A 52 -1.219 -0.253 -7.007 1.00 1.43 H new ATOM 0 HD3 ARG A 52 -0.885 -1.282 -8.386 1.00 1.43 H new ATOM 0 HE ARG A 52 -3.712 -1.149 -8.093 1.00 1.79 H new ATOM 0 HH11 ARG A 52 -1.014 0.876 -9.254 1.00 4.40 H new ATOM 0 HH12 ARG A 52 -2.097 1.981 -10.107 1.00 4.40 H new ATOM 0 HH21 ARG A 52 -5.048 0.435 -9.044 1.00 3.61 H new ATOM 0 HH22 ARG A 52 -4.319 1.737 -9.990 1.00 3.61 H new ATOM 979 N ARG A 53 2.302 -4.053 -6.996 1.00 0.67 N ATOM 980 CA ARG A 53 3.630 -4.029 -7.593 1.00 0.61 C ATOM 981 C ARG A 53 3.862 -5.259 -8.469 1.00 0.63 C ATOM 982 O ARG A 53 4.447 -5.143 -9.541 1.00 0.67 O ATOM 983 CB ARG A 53 4.717 -3.924 -6.512 1.00 0.82 C ATOM 984 CG ARG A 53 6.057 -3.563 -7.164 1.00 1.08 C ATOM 985 CD ARG A 53 7.189 -3.533 -6.138 1.00 1.27 C ATOM 986 NE ARG A 53 8.478 -3.333 -6.818 1.00 2.25 N ATOM 987 CZ ARG A 53 9.670 -3.311 -6.206 1.00 2.75 C ATOM 988 NH1 ARG A 53 9.754 -3.531 -4.893 1.00 2.76 N ATOM 989 NH2 ARG A 53 10.782 -3.055 -6.899 1.00 4.25 N ATOM 0 H ARG A 53 2.323 -4.058 -5.976 1.00 0.67 H new ATOM 0 HA ARG A 53 3.692 -3.145 -8.227 1.00 0.61 H new ATOM 0 HB2 ARG A 53 4.442 -3.166 -5.778 1.00 0.82 H new ATOM 0 HB3 ARG A 53 4.804 -4.869 -5.977 1.00 0.82 H new ATOM 0 HG2 ARG A 53 6.290 -4.288 -7.944 1.00 1.08 H new ATOM 0 HG3 ARG A 53 5.977 -2.589 -7.648 1.00 1.08 H new ATOM 0 HD2 ARG A 53 7.019 -2.731 -5.420 1.00 1.27 H new ATOM 0 HD3 ARG A 53 7.206 -4.466 -5.575 1.00 1.27 H new ATOM 0 HE ARG A 53 8.463 -3.201 -7.829 1.00 2.25 H new ATOM 0 HH11 ARG A 53 8.909 -3.717 -4.352 1.00 2.76 H new ATOM 0 HH12 ARG A 53 10.663 -3.514 -4.430 1.00 2.76 H new ATOM 0 HH21 ARG A 53 10.728 -2.874 -7.901 1.00 4.25 H new ATOM 0 HH22 ARG A 53 11.686 -3.040 -6.426 1.00 4.25 H new ATOM 1003 N MET A 54 3.428 -6.436 -8.016 1.00 0.68 N ATOM 1004 CA MET A 54 3.498 -7.668 -8.780 1.00 0.70 C ATOM 1005 C MET A 54 2.810 -7.447 -10.129 1.00 0.61 C ATOM 1006 O MET A 54 3.360 -7.819 -11.161 1.00 0.72 O ATOM 1007 CB MET A 54 2.948 -8.855 -7.957 1.00 0.80 C ATOM 1008 CG MET A 54 2.581 -10.050 -8.836 1.00 0.86 C ATOM 1009 SD MET A 54 2.349 -11.670 -8.055 1.00 1.12 S ATOM 1010 CE MET A 54 0.742 -11.475 -7.252 1.00 3.05 C ATOM 0 H MET A 54 3.012 -6.555 -7.092 1.00 0.68 H new ATOM 0 HA MET A 54 4.531 -7.941 -8.995 1.00 0.70 H new ATOM 0 HB2 MET A 54 3.693 -9.162 -7.223 1.00 0.80 H new ATOM 0 HB3 MET A 54 2.068 -8.532 -7.401 1.00 0.80 H new ATOM 0 HG2 MET A 54 1.659 -9.802 -9.362 1.00 0.86 H new ATOM 0 HG3 MET A 54 3.360 -10.156 -9.591 1.00 0.86 H new ATOM 0 HE1 MET A 54 0.479 -12.398 -6.735 1.00 3.05 H new ATOM 0 HE2 MET A 54 0.792 -10.658 -6.532 1.00 3.05 H new ATOM 0 HE3 MET A 54 -0.015 -11.251 -8.003 1.00 3.05 H new ATOM 1020 N LYS A 55 1.639 -6.812 -10.144 1.00 0.52 N ATOM 1021 CA LYS A 55 0.972 -6.440 -11.389 1.00 0.59 C ATOM 1022 C LYS A 55 1.729 -5.372 -12.169 1.00 0.60 C ATOM 1023 O LYS A 55 1.912 -5.503 -13.379 1.00 0.72 O ATOM 1024 CB LYS A 55 -0.476 -6.034 -11.097 1.00 0.72 C ATOM 1025 CG LYS A 55 -1.465 -6.734 -12.030 1.00 1.18 C ATOM 1026 CD LYS A 55 -1.721 -8.212 -11.682 1.00 1.90 C ATOM 1027 CE LYS A 55 -0.738 -9.200 -12.338 1.00 3.53 C ATOM 1028 NZ LYS A 55 -1.299 -10.565 -12.421 1.00 4.61 N ATOM 0 H LYS A 55 1.131 -6.543 -9.302 1.00 0.52 H new ATOM 0 HA LYS A 55 0.962 -7.313 -12.041 1.00 0.59 H new ATOM 0 HB2 LYS A 55 -0.719 -6.277 -10.063 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -0.579 -4.954 -11.204 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -2.413 -6.197 -12.006 1.00 1.18 H new ATOM 0 HG3 LYS A 55 -1.090 -6.672 -13.052 1.00 1.18 H new ATOM 0 HD2 LYS A 55 -1.670 -8.332 -10.600 1.00 1.90 H new ATOM 0 HD3 LYS A 55 -2.735 -8.473 -11.984 1.00 1.90 H new ATOM 0 HE2 LYS A 55 -0.486 -8.850 -13.339 1.00 3.53 H new ATOM 0 HE3 LYS A 55 0.189 -9.223 -11.765 1.00 3.53 H new ATOM 0 HZ1 LYS A 55 -0.606 -11.198 -12.868 1.00 4.61 H new ATOM 0 HZ2 LYS A 55 -1.516 -10.910 -11.464 1.00 4.61 H new ATOM 0 HZ3 LYS A 55 -2.170 -10.548 -12.989 1.00 4.61 H new ATOM 1042 N TRP A 56 2.201 -4.334 -11.493 1.00 0.55 N ATOM 1043 CA TRP A 56 3.139 -3.387 -12.067 1.00 0.62 C ATOM 1044 C TRP A 56 4.275 -4.056 -12.865 1.00 0.71 C ATOM 1045 O TRP A 56 4.380 -3.860 -14.073 1.00 0.85 O ATOM 1046 CB TRP A 56 3.578 -2.399 -10.986 1.00 0.62 C ATOM 1047 CG TRP A 56 3.717 -0.966 -11.404 1.00 0.74 C ATOM 1048 CD1 TRP A 56 2.719 -0.086 -11.634 1.00 0.85 C ATOM 1049 CD2 TRP A 56 4.947 -0.277 -11.790 1.00 0.85 C ATOM 1050 NE1 TRP A 56 3.241 1.106 -12.090 1.00 1.00 N ATOM 1051 CE2 TRP A 56 4.611 1.040 -12.225 1.00 0.99 C ATOM 1052 CE3 TRP A 56 6.316 -0.628 -11.818 1.00 0.94 C ATOM 1053 CZ2 TRP A 56 5.577 1.959 -12.663 1.00 1.16 C ATOM 1054 CZ3 TRP A 56 7.296 0.294 -12.235 1.00 1.13 C ATOM 1055 CH2 TRP A 56 6.928 1.585 -12.657 1.00 1.22 C ATOM 0 H TRP A 56 1.942 -4.127 -10.529 1.00 0.55 H new ATOM 0 HA TRP A 56 2.639 -2.804 -12.841 1.00 0.62 H new ATOM 0 HB2 TRP A 56 2.859 -2.447 -10.168 1.00 0.62 H new ATOM 0 HB3 TRP A 56 4.536 -2.733 -10.588 1.00 0.62 H new ATOM 0 HD1 TRP A 56 1.668 -0.286 -11.483 1.00 0.85 H new ATOM 0 HE1 TRP A 56 2.683 1.933 -12.301 1.00 1.00 H new ATOM 0 HE3 TRP A 56 6.616 -1.620 -11.514 1.00 0.94 H new ATOM 0 HZ2 TRP A 56 5.283 2.942 -13.000 1.00 1.16 H new ATOM 0 HZ3 TRP A 56 8.337 0.008 -12.231 1.00 1.13 H new ATOM 0 HH2 TRP A 56 7.685 2.286 -12.976 1.00 1.22 H new ATOM 1066 N LYS A 57 5.077 -4.929 -12.247 1.00 0.74 N ATOM 1067 CA LYS A 57 6.123 -5.668 -12.957 1.00 0.94 C ATOM 1068 C LYS A 57 5.581 -6.662 -13.999 1.00 1.06 C ATOM 1069 O LYS A 57 6.375 -7.227 -14.746 1.00 1.52 O ATOM 1070 CB LYS A 57 7.057 -6.383 -11.960 1.00 1.11 C ATOM 1071 CG LYS A 57 8.000 -5.416 -11.226 1.00 1.33 C ATOM 1072 CD LYS A 57 9.215 -5.001 -12.077 1.00 1.82 C ATOM 1073 CE LYS A 57 10.365 -6.027 -12.002 1.00 2.73 C ATOM 1074 NZ LYS A 57 11.531 -5.640 -12.830 1.00 3.53 N ATOM 0 H LYS A 57 5.020 -5.141 -11.251 1.00 0.74 H new ATOM 0 HA LYS A 57 6.690 -4.924 -13.516 1.00 0.94 H new ATOM 0 HB2 LYS A 57 6.455 -6.922 -11.228 1.00 1.11 H new ATOM 0 HB3 LYS A 57 7.650 -7.126 -12.494 1.00 1.11 H new ATOM 0 HG2 LYS A 57 7.444 -4.524 -10.937 1.00 1.33 H new ATOM 0 HG3 LYS A 57 8.350 -5.886 -10.307 1.00 1.33 H new ATOM 0 HD2 LYS A 57 8.904 -4.883 -13.115 1.00 1.82 H new ATOM 0 HD3 LYS A 57 9.576 -4.029 -11.740 1.00 1.82 H new ATOM 0 HE2 LYS A 57 10.681 -6.137 -10.965 1.00 2.73 H new ATOM 0 HE3 LYS A 57 10.000 -7.001 -12.329 1.00 2.73 H new ATOM 0 HZ1 LYS A 57 12.274 -6.363 -12.743 1.00 3.53 H new ATOM 0 HZ2 LYS A 57 11.239 -5.561 -13.825 1.00 3.53 H new ATOM 0 HZ3 LYS A 57 11.900 -4.724 -12.504 1.00 3.53 H new ATOM 1088 N LYS A 58 4.265 -6.894 -14.051 1.00 0.85 N ATOM 1089 CA LYS A 58 3.589 -7.623 -15.124 1.00 0.99 C ATOM 1090 C LYS A 58 2.827 -6.605 -15.993 1.00 1.12 C ATOM 1091 O LYS A 58 1.724 -6.869 -16.464 1.00 1.69 O ATOM 1092 CB LYS A 58 2.657 -8.686 -14.512 1.00 1.06 C ATOM 1093 CG LYS A 58 3.325 -9.991 -14.044 1.00 1.79 C ATOM 1094 CD LYS A 58 4.681 -9.834 -13.341 1.00 3.05 C ATOM 1095 CE LYS A 58 4.986 -11.049 -12.454 1.00 3.84 C ATOM 1096 NZ LYS A 58 6.297 -10.921 -11.787 1.00 5.41 N ATOM 0 H LYS A 58 3.625 -6.570 -13.326 1.00 0.85 H new ATOM 0 HA LYS A 58 4.303 -8.148 -15.758 1.00 0.99 H new ATOM 0 HB2 LYS A 58 2.143 -8.241 -13.660 1.00 1.06 H new ATOM 0 HB3 LYS A 58 1.894 -8.937 -15.249 1.00 1.06 H new ATOM 0 HG2 LYS A 58 2.643 -10.503 -13.366 1.00 1.79 H new ATOM 0 HG3 LYS A 58 3.459 -10.639 -14.910 1.00 1.79 H new ATOM 0 HD2 LYS A 58 5.469 -9.716 -14.085 1.00 3.05 H new ATOM 0 HD3 LYS A 58 4.677 -8.928 -12.734 1.00 3.05 H new ATOM 0 HE2 LYS A 58 4.204 -11.157 -11.702 1.00 3.84 H new ATOM 0 HE3 LYS A 58 4.973 -11.955 -13.060 1.00 3.84 H new ATOM 0 HZ1 LYS A 58 6.469 -11.760 -11.196 1.00 5.41 H new ATOM 0 HZ2 LYS A 58 7.046 -10.843 -12.505 1.00 5.41 H new ATOM 0 HZ3 LYS A 58 6.301 -10.070 -11.189 1.00 5.41 H new ATOM 1110 N GLU A 59 3.409 -5.416 -16.160 1.00 1.26 N ATOM 1111 CA GLU A 59 3.104 -4.398 -17.167 1.00 1.68 C ATOM 1112 C GLU A 59 1.901 -3.534 -16.773 1.00 1.48 C ATOM 1113 O GLU A 59 1.316 -2.858 -17.614 1.00 1.87 O ATOM 1114 CB GLU A 59 2.916 -4.985 -18.570 1.00 3.46 C ATOM 1115 CG GLU A 59 3.956 -6.042 -18.966 1.00 5.11 C ATOM 1116 CD GLU A 59 3.316 -7.411 -19.222 1.00 6.26 C ATOM 1117 OE1 GLU A 59 2.231 -7.455 -19.853 1.00 6.48 O ATOM 1118 OE2 GLU A 59 3.898 -8.400 -18.732 1.00 7.42 O ATOM 0 H GLU A 59 4.166 -5.116 -15.546 1.00 1.26 H new ATOM 0 HA GLU A 59 3.981 -3.752 -17.204 1.00 1.68 H new ATOM 0 HB2 GLU A 59 1.923 -5.430 -18.633 1.00 3.46 H new ATOM 0 HB3 GLU A 59 2.948 -4.173 -19.296 1.00 3.46 H new ATOM 0 HG2 GLU A 59 4.482 -5.715 -19.863 1.00 5.11 H new ATOM 0 HG3 GLU A 59 4.700 -6.132 -18.175 1.00 5.11 H new ATOM 1125 N ASN A 60 1.525 -3.576 -15.493 1.00 2.90 N ATOM 1126 CA ASN A 60 0.419 -2.862 -14.861 1.00 4.95 C ATOM 1127 C ASN A 60 -0.802 -2.766 -15.775 1.00 6.72 C ATOM 1128 O ASN A 60 -1.288 -1.681 -16.083 1.00 7.69 O ATOM 1129 CB ASN A 60 0.870 -1.524 -14.246 1.00 4.79 C ATOM 1130 CG ASN A 60 2.187 -0.992 -14.816 1.00 2.92 C ATOM 1131 OD1 ASN A 60 3.265 -1.126 -14.256 1.00 3.18 O ATOM 1132 ND2 ASN A 60 2.101 -0.350 -15.970 1.00 2.57 N ATOM 0 H ASN A 60 2.027 -4.156 -14.821 1.00 2.90 H new ATOM 0 HA ASN A 60 0.081 -3.457 -14.012 1.00 4.95 H new ATOM 0 HB2 ASN A 60 0.089 -0.780 -14.406 1.00 4.79 H new ATOM 0 HB3 ASN A 60 0.976 -1.648 -13.168 1.00 4.79 H new ATOM 0 HD21 ASN A 60 2.940 0.039 -16.401 1.00 2.57 H new ATOM 0 HD22 ASN A 60 1.196 -0.244 -16.429 1.00 2.57 H new ATOM 1139 N LYS A 61 -1.298 -3.938 -16.184 1.00 7.67 N ATOM 1140 CA LYS A 61 -2.402 -4.089 -17.112 1.00 9.63 C ATOM 1141 C LYS A 61 -3.637 -4.669 -16.415 1.00 11.66 C ATOM 1142 O LYS A 61 -4.742 -4.147 -16.554 1.00 13.50 O ATOM 1143 CB LYS A 61 -1.940 -4.887 -18.345 1.00 9.71 C ATOM 1144 CG LYS A 61 -0.817 -5.928 -18.178 1.00 9.60 C ATOM 1145 CD LYS A 61 -1.215 -7.227 -17.461 1.00 10.76 C ATOM 1146 CE LYS A 61 -0.456 -8.443 -18.022 1.00 11.33 C ATOM 1147 NZ LYS A 61 -0.870 -8.795 -19.394 1.00 11.77 N ATOM 0 H LYS A 61 -0.924 -4.831 -15.863 1.00 7.67 H new ATOM 0 HA LYS A 61 -2.717 -3.111 -17.475 1.00 9.63 H new ATOM 0 HB2 LYS A 61 -2.811 -5.403 -18.749 1.00 9.71 H new ATOM 0 HB3 LYS A 61 -1.616 -4.170 -19.099 1.00 9.71 H new ATOM 0 HG2 LYS A 61 -0.433 -6.183 -19.166 1.00 9.60 H new ATOM 0 HG3 LYS A 61 0.002 -5.467 -17.627 1.00 9.60 H new ATOM 0 HD2 LYS A 61 -1.011 -7.131 -16.395 1.00 10.76 H new ATOM 0 HD3 LYS A 61 -2.288 -7.387 -17.567 1.00 10.76 H new ATOM 0 HE2 LYS A 61 0.614 -8.233 -18.013 1.00 11.33 H new ATOM 0 HE3 LYS A 61 -0.618 -9.300 -17.368 1.00 11.33 H new ATOM 0 HZ1 LYS A 61 -0.571 -9.768 -19.608 1.00 11.77 H new ATOM 0 HZ2 LYS A 61 -1.905 -8.726 -19.473 1.00 11.77 H new ATOM 0 HZ3 LYS A 61 -0.427 -8.140 -20.069 1.00 11.77 H new ATOM 1161 N THR A 62 -3.474 -5.748 -15.647 1.00 11.62 N ATOM 1162 CA THR A 62 -4.571 -6.429 -14.977 1.00 13.69 C ATOM 1163 C THR A 62 -5.040 -5.622 -13.757 1.00 14.84 C ATOM 1164 O THR A 62 -4.724 -5.980 -12.625 1.00 15.63 O ATOM 1165 CB THR A 62 -4.123 -7.865 -14.636 1.00 13.97 C ATOM 1166 OG1 THR A 62 -2.706 -7.970 -14.664 1.00 13.19 O ATOM 1167 CG2 THR A 62 -4.685 -8.864 -15.652 1.00 14.29 C ATOM 0 H THR A 62 -2.564 -6.174 -15.474 1.00 11.62 H new ATOM 0 HA THR A 62 -5.441 -6.503 -15.630 1.00 13.69 H new ATOM 0 HB THR A 62 -4.498 -8.091 -13.638 1.00 13.97 H new ATOM 0 HG1 THR A 62 -2.442 -8.888 -14.443 1.00 13.19 H new ATOM 0 HG21 THR A 62 -4.357 -9.870 -15.393 1.00 14.29 H new ATOM 0 HG22 THR A 62 -5.774 -8.823 -15.639 1.00 14.29 H new ATOM 0 HG23 THR A 62 -4.325 -8.611 -16.649 1.00 14.29 H new ATOM 1175 N LYS A 63 -5.809 -4.557 -14.016 1.00 15.24 N ATOM 1176 CA LYS A 63 -6.426 -3.623 -13.071 1.00 16.61 C ATOM 1177 C LYS A 63 -5.564 -2.362 -12.952 1.00 16.23 C ATOM 1178 O LYS A 63 -4.700 -2.277 -12.079 1.00 15.65 O ATOM 1179 CB LYS A 63 -6.750 -4.244 -11.695 1.00 17.42 C ATOM 1180 CG LYS A 63 -7.571 -3.272 -10.834 1.00 18.68 C ATOM 1181 CD LYS A 63 -7.794 -3.811 -9.411 1.00 19.77 C ATOM 1182 CE LYS A 63 -7.586 -2.723 -8.339 1.00 20.42 C ATOM 1183 NZ LYS A 63 -8.305 -1.453 -8.602 1.00 21.62 N ATOM 0 H LYS A 63 -6.034 -4.306 -14.979 1.00 15.24 H new ATOM 0 HA LYS A 63 -7.400 -3.350 -13.478 1.00 16.61 H new ATOM 0 HB2 LYS A 63 -7.305 -5.172 -11.832 1.00 17.42 H new ATOM 0 HB3 LYS A 63 -5.824 -4.499 -11.180 1.00 17.42 H new ATOM 0 HG2 LYS A 63 -7.058 -2.312 -10.782 1.00 18.68 H new ATOM 0 HG3 LYS A 63 -8.535 -3.093 -11.309 1.00 18.68 H new ATOM 0 HD2 LYS A 63 -8.805 -4.211 -9.330 1.00 19.77 H new ATOM 0 HD3 LYS A 63 -7.108 -4.638 -9.225 1.00 19.77 H new ATOM 0 HE2 LYS A 63 -7.909 -3.115 -7.375 1.00 20.42 H new ATOM 0 HE3 LYS A 63 -6.520 -2.512 -8.257 1.00 20.42 H new ATOM 0 HZ1 LYS A 63 -7.616 -0.684 -8.727 1.00 21.62 H new ATOM 0 HZ2 LYS A 63 -8.876 -1.550 -9.466 1.00 21.62 H new ATOM 0 HZ3 LYS A 63 -8.927 -1.233 -7.798 1.00 21.62 H new ATOM 1197 N GLY A 64 -5.842 -1.365 -13.795 1.00 16.90 N ATOM 1198 CA GLY A 64 -5.206 -0.059 -13.757 1.00 17.00 C ATOM 1199 C GLY A 64 -6.198 0.972 -13.229 1.00 18.20 C ATOM 1200 O GLY A 64 -7.079 1.396 -13.972 1.00 18.74 O ATOM 0 H GLY A 64 -6.534 -1.452 -14.539 1.00 16.90 H new ATOM 0 HA2 GLY A 64 -4.323 -0.091 -13.119 1.00 17.00 H new ATOM 0 HA3 GLY A 64 -4.868 0.222 -14.754 1.00 17.00 H new ATOM 1204 N GLU A 65 -6.053 1.357 -11.954 1.00 18.79 N ATOM 1205 CA GLU A 65 -6.848 2.393 -11.294 1.00 20.11 C ATOM 1206 C GLU A 65 -8.327 1.979 -11.127 1.00 21.25 C ATOM 1207 O GLU A 65 -8.712 0.892 -11.563 1.00 21.28 O ATOM 1208 CB GLU A 65 -6.609 3.754 -11.988 1.00 20.30 C ATOM 1209 CG GLU A 65 -5.456 4.526 -11.317 1.00 20.30 C ATOM 1210 CD GLU A 65 -4.135 3.754 -11.331 1.00 19.23 C ATOM 1211 OE1 GLU A 65 -3.596 3.539 -12.433 1.00 18.71 O ATOM 1212 OE2 GLU A 65 -3.692 3.317 -10.243 1.00 19.13 O ATOM 0 H GLU A 65 -5.356 0.941 -11.337 1.00 18.79 H new ATOM 0 HA GLU A 65 -6.511 2.518 -10.265 1.00 20.11 H new ATOM 0 HB2 GLU A 65 -6.378 3.593 -13.041 1.00 20.30 H new ATOM 0 HB3 GLU A 65 -7.521 4.350 -11.949 1.00 20.30 H new ATOM 0 HG2 GLU A 65 -5.319 5.480 -11.827 1.00 20.30 H new ATOM 0 HG3 GLU A 65 -5.728 4.752 -10.286 1.00 20.30 H new ATOM 1219 N PRO A 66 -9.138 2.752 -10.376 1.00 22.41 N ATOM 1220 CA PRO A 66 -10.523 2.392 -10.091 1.00 23.71 C ATOM 1221 C PRO A 66 -11.501 2.893 -11.157 1.00 24.81 C ATOM 1222 O PRO A 66 -12.372 2.136 -11.576 1.00 25.46 O ATOM 1223 CB PRO A 66 -10.836 3.001 -8.722 1.00 24.64 C ATOM 1224 CG PRO A 66 -9.909 4.213 -8.636 1.00 24.34 C ATOM 1225 CD PRO A 66 -8.695 3.814 -9.479 1.00 22.74 C ATOM 0 HA PRO A 66 -10.641 1.308 -10.094 1.00 23.71 H new ATOM 0 HB2 PRO A 66 -11.883 3.293 -8.645 1.00 24.64 H new ATOM 0 HB3 PRO A 66 -10.643 2.293 -7.916 1.00 24.64 H new ATOM 0 HG2 PRO A 66 -10.389 5.110 -9.027 1.00 24.34 H new ATOM 0 HG3 PRO A 66 -9.626 4.426 -7.605 1.00 24.34 H new ATOM 0 HD2 PRO A 66 -8.320 4.667 -10.045 1.00 22.74 H new ATOM 0 HD3 PRO A 66 -7.879 3.469 -8.844 1.00 22.74 H new ATOM 1233 N GLY A 67 -11.407 4.174 -11.526 1.00 25.28 N ATOM 1234 CA GLY A 67 -12.335 4.823 -12.442 1.00 26.66 C ATOM 1235 C GLY A 67 -11.980 4.504 -13.889 1.00 26.32 C ATOM 1236 O GLY A 67 -12.891 4.204 -14.660 1.00 26.85 O ATOM 0 H GLY A 67 -10.671 4.794 -11.189 1.00 25.28 H new ATOM 0 HA2 GLY A 67 -13.352 4.492 -12.231 1.00 26.66 H new ATOM 0 HA3 GLY A 67 -12.312 5.902 -12.287 1.00 26.66 H new TER 1240 GLY A 67