USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 644 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 31 TYR OH : rot 180:sc= -0.625 USER MOD Set 1.2: A 63 SER OG : rot 69:sc= 1.01 USER MOD Set 2.1: A 11 THR OG1 : rot -122:sc= 0.0813 USER MOD Set 2.2: A 47 HIS :FLIP no HE2:sc= -0.182 F(o=-1.1,f=-0.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0166) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 1.26 K(o=1.3,f=-3.2!) USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0614 (180deg=-0.319) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl -164:sc= -0.152 (180deg=-0.576) USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0287) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.0936 F(o=-1.8!,f=-0.094) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.75) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0.919 K(o=0.92,f=-5!) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.224 F(o=-1.3!,f=-0.22) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0341 USER MOD Single : A 71 TYR OH : rot 180:sc= -1.88! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.195 -19.396 4.691 1.00 17.43 N ATOM 2 CA MET A 1 29.882 -18.814 5.064 1.00 16.72 C ATOM 3 C MET A 1 29.996 -17.308 5.243 1.00 15.86 C ATOM 4 O MET A 1 30.686 -16.832 6.145 1.00 15.89 O ATOM 5 CB MET A 1 29.359 -19.445 6.358 1.00 16.98 C ATOM 6 CG MET A 1 28.985 -20.912 6.222 1.00 17.83 C ATOM 7 SD MET A 1 27.690 -21.188 4.997 1.00 18.49 S ATOM 8 CE MET A 1 27.482 -22.962 5.129 1.00 18.34 C ATOM 0 H1 MET A 1 31.084 -20.414 4.507 1.00 17.43 H new ATOM 0 H2 MET A 1 31.552 -18.926 3.835 1.00 17.43 H new ATOM 0 H3 MET A 1 31.870 -19.257 5.470 1.00 17.43 H new ATOM 0 HA MET A 1 29.180 -19.025 4.257 1.00 16.72 H new ATOM 0 HB2 MET A 1 30.119 -19.345 7.132 1.00 16.98 H new ATOM 0 HB3 MET A 1 28.485 -18.887 6.695 1.00 16.98 H new ATOM 0 HG2 MET A 1 29.870 -21.484 5.945 1.00 17.83 H new ATOM 0 HG3 MET A 1 28.652 -21.289 7.189 1.00 17.83 H new ATOM 0 HE1 MET A 1 26.712 -23.291 4.432 1.00 18.34 H new ATOM 0 HE2 MET A 1 28.423 -23.457 4.890 1.00 18.34 H new ATOM 0 HE3 MET A 1 27.185 -23.219 6.146 1.00 18.34 H new ATOM 20 N LEU A 2 29.327 -16.565 4.369 1.00 15.21 N ATOM 21 CA LEU A 2 29.332 -15.110 4.426 1.00 14.45 C ATOM 22 C LEU A 2 28.301 -14.556 3.452 1.00 13.67 C ATOM 23 O LEU A 2 27.266 -14.022 3.854 1.00 13.76 O ATOM 24 CB LEU A 2 30.723 -14.563 4.082 1.00 14.71 C ATOM 25 CG LEU A 2 30.886 -13.048 4.223 1.00 15.31 C ATOM 26 CD1 LEU A 2 30.681 -12.619 5.669 1.00 15.60 C ATOM 27 CD2 LEU A 2 32.256 -12.611 3.724 1.00 15.53 C ATOM 0 H LEU A 2 28.770 -16.951 3.607 1.00 15.21 H new ATOM 0 HA LEU A 2 29.078 -14.797 5.439 1.00 14.45 H new ATOM 0 HB2 LEU A 2 31.456 -15.051 4.724 1.00 14.71 H new ATOM 0 HB3 LEU A 2 30.961 -14.843 3.056 1.00 14.71 H new ATOM 0 HG LEU A 2 30.126 -12.562 3.611 1.00 15.31 H new ATOM 0 HD11 LEU A 2 30.801 -11.539 5.748 1.00 15.60 H new ATOM 0 HD12 LEU A 2 29.678 -12.897 5.992 1.00 15.60 H new ATOM 0 HD13 LEU A 2 31.417 -13.113 6.303 1.00 15.60 H new ATOM 0 HD21 LEU A 2 32.355 -11.531 3.832 1.00 15.53 H new ATOM 0 HD22 LEU A 2 33.031 -13.106 4.309 1.00 15.53 H new ATOM 0 HD23 LEU A 2 32.364 -12.882 2.674 1.00 15.53 H new ATOM 39 N LYS A 3 28.585 -14.705 2.168 1.00 13.04 N ATOM 40 CA LYS A 3 27.676 -14.251 1.131 1.00 12.40 C ATOM 41 C LYS A 3 26.801 -15.404 0.647 1.00 11.77 C ATOM 42 O LYS A 3 27.057 -16.017 -0.392 1.00 11.64 O ATOM 43 CB LYS A 3 28.449 -13.620 -0.034 1.00 12.70 C ATOM 44 CG LYS A 3 29.578 -14.483 -0.579 1.00 13.36 C ATOM 45 CD LYS A 3 30.249 -13.822 -1.768 1.00 13.59 C ATOM 46 CE LYS A 3 31.321 -14.713 -2.371 1.00 14.31 C ATOM 47 NZ LYS A 3 31.972 -14.077 -3.545 1.00 14.57 N ATOM 0 H LYS A 3 29.440 -15.138 1.820 1.00 13.04 H new ATOM 0 HA LYS A 3 27.026 -13.485 1.554 1.00 12.40 H new ATOM 0 HB2 LYS A 3 27.751 -13.403 -0.842 1.00 12.70 H new ATOM 0 HB3 LYS A 3 28.863 -12.666 0.294 1.00 12.70 H new ATOM 0 HG2 LYS A 3 30.314 -14.661 0.205 1.00 13.36 H new ATOM 0 HG3 LYS A 3 29.185 -15.456 -0.874 1.00 13.36 H new ATOM 0 HD2 LYS A 3 29.501 -13.588 -2.525 1.00 13.59 H new ATOM 0 HD3 LYS A 3 30.693 -12.877 -1.457 1.00 13.59 H new ATOM 0 HE2 LYS A 3 32.074 -14.938 -1.616 1.00 14.31 H new ATOM 0 HE3 LYS A 3 30.878 -15.662 -2.671 1.00 14.31 H new ATOM 0 HZ1 LYS A 3 32.697 -14.716 -3.928 1.00 14.57 H new ATOM 0 HZ2 LYS A 3 31.258 -13.885 -4.276 1.00 14.57 H new ATOM 0 HZ3 LYS A 3 32.417 -13.183 -3.253 1.00 14.57 H new ATOM 61 N ASN A 4 25.777 -15.715 1.419 1.00 11.58 N ATOM 62 CA ASN A 4 24.893 -16.822 1.091 1.00 11.20 C ATOM 63 C ASN A 4 23.668 -16.320 0.338 1.00 10.29 C ATOM 64 O ASN A 4 22.549 -16.386 0.843 1.00 9.76 O ATOM 65 CB ASN A 4 24.472 -17.589 2.353 1.00 11.53 C ATOM 66 CG ASN A 4 25.628 -18.313 3.025 1.00 12.04 C ATOM 67 OD1 ASN A 4 26.774 -17.858 3.003 1.00 12.52 O ATOM 68 ND2 ASN A 4 25.337 -19.457 3.627 1.00 12.13 N ATOM 0 H ASN A 4 25.535 -15.219 2.277 1.00 11.58 H new ATOM 0 HA ASN A 4 25.441 -17.510 0.447 1.00 11.20 H new ATOM 0 HB2 ASN A 4 24.026 -16.892 3.063 1.00 11.53 H new ATOM 0 HB3 ASN A 4 23.701 -18.313 2.090 1.00 11.53 H new ATOM 0 HD21 ASN A 4 26.072 -19.990 4.091 1.00 12.13 H new ATOM 0 HD22 ASN A 4 24.378 -19.804 3.626 1.00 12.13 H new ATOM 75 N LEU A 5 23.923 -15.796 -0.866 1.00 10.27 N ATOM 76 CA LEU A 5 22.896 -15.266 -1.778 1.00 9.58 C ATOM 77 C LEU A 5 21.804 -14.458 -1.067 1.00 8.95 C ATOM 78 O LEU A 5 20.705 -14.945 -0.802 1.00 9.23 O ATOM 79 CB LEU A 5 22.305 -16.378 -2.677 1.00 10.07 C ATOM 80 CG LEU A 5 22.082 -17.756 -2.033 1.00 10.15 C ATOM 81 CD1 LEU A 5 20.710 -17.855 -1.381 1.00 10.37 C ATOM 82 CD2 LEU A 5 22.258 -18.853 -3.072 1.00 10.63 C ATOM 0 H LEU A 5 24.868 -15.726 -1.244 1.00 10.27 H new ATOM 0 HA LEU A 5 23.408 -14.554 -2.426 1.00 9.58 H new ATOM 0 HB2 LEU A 5 21.348 -16.027 -3.064 1.00 10.07 H new ATOM 0 HB3 LEU A 5 22.967 -16.508 -3.533 1.00 10.07 H new ATOM 0 HG LEU A 5 22.828 -17.884 -1.249 1.00 10.15 H new ATOM 0 HD11 LEU A 5 20.589 -18.843 -0.937 1.00 10.37 H new ATOM 0 HD12 LEU A 5 20.620 -17.095 -0.605 1.00 10.37 H new ATOM 0 HD13 LEU A 5 19.937 -17.698 -2.134 1.00 10.37 H new ATOM 0 HD21 LEU A 5 22.098 -19.825 -2.606 1.00 10.63 H new ATOM 0 HD22 LEU A 5 21.535 -18.713 -3.875 1.00 10.63 H new ATOM 0 HD23 LEU A 5 23.268 -18.809 -3.481 1.00 10.63 H new ATOM 94 N ALA A 6 22.121 -13.209 -0.752 1.00 8.33 N ATOM 95 CA ALA A 6 21.147 -12.310 -0.150 1.00 7.95 C ATOM 96 C ALA A 6 20.274 -11.678 -1.230 1.00 7.05 C ATOM 97 O ALA A 6 20.751 -11.359 -2.321 1.00 6.91 O ATOM 98 CB ALA A 6 21.847 -11.238 0.668 1.00 8.36 C ATOM 0 H ALA A 6 23.042 -12.797 -0.903 1.00 8.33 H new ATOM 0 HA ALA A 6 20.507 -12.886 0.519 1.00 7.95 H new ATOM 0 HB1 ALA A 6 21.104 -10.575 1.111 1.00 8.36 H new ATOM 0 HB2 ALA A 6 22.431 -11.708 1.459 1.00 8.36 H new ATOM 0 HB3 ALA A 6 22.509 -10.661 0.022 1.00 8.36 H new ATOM 104 N LYS A 7 18.996 -11.501 -0.923 1.00 6.76 N ATOM 105 CA LYS A 7 18.048 -10.961 -1.890 1.00 6.20 C ATOM 106 C LYS A 7 17.863 -9.464 -1.688 1.00 5.17 C ATOM 107 O LYS A 7 18.134 -8.669 -2.587 1.00 5.28 O ATOM 108 CB LYS A 7 16.693 -11.676 -1.791 1.00 7.03 C ATOM 109 CG LYS A 7 16.666 -13.069 -2.413 1.00 7.85 C ATOM 110 CD LYS A 7 17.477 -14.081 -1.615 1.00 8.21 C ATOM 111 CE LYS A 7 16.868 -14.338 -0.245 1.00 8.88 C ATOM 112 NZ LYS A 7 15.481 -14.862 -0.341 1.00 9.68 N ATOM 0 H LYS A 7 18.592 -11.723 -0.013 1.00 6.76 H new ATOM 0 HA LYS A 7 18.457 -11.132 -2.886 1.00 6.20 H new ATOM 0 HB2 LYS A 7 16.414 -11.756 -0.740 1.00 7.03 H new ATOM 0 HB3 LYS A 7 15.935 -11.061 -2.276 1.00 7.03 H new ATOM 0 HG2 LYS A 7 15.634 -13.411 -2.485 1.00 7.85 H new ATOM 0 HG3 LYS A 7 17.056 -13.017 -3.430 1.00 7.85 H new ATOM 0 HD2 LYS A 7 17.535 -15.018 -2.169 1.00 8.21 H new ATOM 0 HD3 LYS A 7 18.498 -13.717 -1.497 1.00 8.21 H new ATOM 0 HE2 LYS A 7 17.488 -15.051 0.299 1.00 8.88 H new ATOM 0 HE3 LYS A 7 16.867 -13.412 0.330 1.00 8.88 H new ATOM 0 HZ1 LYS A 7 15.202 -15.274 0.572 1.00 9.68 H new ATOM 0 HZ2 LYS A 7 14.833 -14.086 -0.583 1.00 9.68 H new ATOM 0 HZ3 LYS A 7 15.436 -15.593 -1.079 1.00 9.68 H new ATOM 126 N LEU A 8 17.409 -9.085 -0.503 1.00 4.55 N ATOM 127 CA LEU A 8 17.184 -7.680 -0.190 1.00 3.90 C ATOM 128 C LEU A 8 18.282 -7.163 0.729 1.00 2.72 C ATOM 129 O LEU A 8 18.466 -7.670 1.835 1.00 2.95 O ATOM 130 CB LEU A 8 15.810 -7.461 0.463 1.00 4.71 C ATOM 131 CG LEU A 8 14.583 -7.748 -0.423 1.00 5.83 C ATOM 132 CD1 LEU A 8 14.755 -7.141 -1.809 1.00 6.20 C ATOM 133 CD2 LEU A 8 14.311 -9.241 -0.522 1.00 6.52 C ATOM 0 H LEU A 8 17.189 -9.729 0.257 1.00 4.55 H new ATOM 0 HA LEU A 8 17.205 -7.124 -1.128 1.00 3.90 H new ATOM 0 HB2 LEU A 8 15.748 -8.092 1.350 1.00 4.71 H new ATOM 0 HB3 LEU A 8 15.753 -6.427 0.803 1.00 4.71 H new ATOM 0 HG LEU A 8 13.720 -7.279 0.050 1.00 5.83 H new ATOM 0 HD11 LEU A 8 13.874 -7.359 -2.413 1.00 6.20 H new ATOM 0 HD12 LEU A 8 14.877 -6.061 -1.721 1.00 6.20 H new ATOM 0 HD13 LEU A 8 15.637 -7.568 -2.286 1.00 6.20 H new ATOM 0 HD21 LEU A 8 13.439 -9.411 -1.154 1.00 6.52 H new ATOM 0 HD22 LEU A 8 15.177 -9.741 -0.956 1.00 6.52 H new ATOM 0 HD23 LEU A 8 14.122 -9.643 0.473 1.00 6.52 H new ATOM 145 N ASP A 9 19.001 -6.148 0.274 1.00 1.97 N ATOM 146 CA ASP A 9 20.140 -5.611 1.022 1.00 1.26 C ATOM 147 C ASP A 9 19.757 -4.342 1.740 1.00 1.12 C ATOM 148 O ASP A 9 20.548 -3.726 2.457 1.00 1.72 O ATOM 149 CB ASP A 9 21.306 -5.372 0.069 1.00 1.74 C ATOM 150 CG ASP A 9 22.625 -5.111 0.769 1.00 2.22 C ATOM 151 OD1 ASP A 9 23.147 -6.038 1.421 1.00 2.49 O ATOM 152 OD2 ASP A 9 23.162 -3.989 0.649 1.00 2.91 O ATOM 0 H ASP A 9 18.819 -5.675 -0.611 1.00 1.97 H new ATOM 0 HA ASP A 9 20.446 -6.335 1.777 1.00 1.26 H new ATOM 0 HB2 ASP A 9 21.416 -6.240 -0.581 1.00 1.74 H new ATOM 0 HB3 ASP A 9 21.071 -4.522 -0.572 1.00 1.74 H new ATOM 157 N GLN A 10 18.510 -4.005 1.563 1.00 1.16 N ATOM 158 CA GLN A 10 17.903 -2.871 2.224 1.00 1.03 C ATOM 159 C GLN A 10 16.439 -2.747 1.801 1.00 0.82 C ATOM 160 O GLN A 10 15.659 -2.010 2.403 1.00 0.75 O ATOM 161 CB GLN A 10 18.643 -1.573 1.887 1.00 1.41 C ATOM 162 CG GLN A 10 18.252 -0.403 2.775 1.00 2.13 C ATOM 163 CD GLN A 10 18.873 0.907 2.337 1.00 2.70 C ATOM 164 OE1 GLN A 10 19.988 1.242 2.737 1.00 3.22 O ATOM 165 NE2 GLN A 10 18.145 1.676 1.544 1.00 3.25 N ATOM 0 H GLN A 10 17.874 -4.513 0.949 1.00 1.16 H new ATOM 0 HA GLN A 10 17.965 -3.034 3.300 1.00 1.03 H new ATOM 0 HB2 GLN A 10 19.716 -1.743 1.975 1.00 1.41 H new ATOM 0 HB3 GLN A 10 18.446 -1.311 0.847 1.00 1.41 H new ATOM 0 HG2 GLN A 10 17.167 -0.302 2.776 1.00 2.13 H new ATOM 0 HG3 GLN A 10 18.553 -0.616 3.801 1.00 2.13 H new ATOM 0 HE21 GLN A 10 17.225 1.363 1.234 1.00 3.25 H new ATOM 0 HE22 GLN A 10 18.504 2.582 1.243 1.00 3.25 H new ATOM 174 N THR A 11 16.053 -3.524 0.798 1.00 0.79 N ATOM 175 CA THR A 11 14.778 -3.309 0.131 1.00 0.66 C ATOM 176 C THR A 11 13.648 -4.030 0.841 1.00 0.52 C ATOM 177 O THR A 11 12.490 -3.907 0.456 1.00 0.46 O ATOM 178 CB THR A 11 14.845 -3.733 -1.354 1.00 0.82 C ATOM 179 OG1 THR A 11 16.019 -3.185 -1.957 1.00 0.98 O ATOM 180 CG2 THR A 11 13.624 -3.266 -2.135 1.00 0.80 C ATOM 0 H THR A 11 16.600 -4.303 0.431 1.00 0.79 H new ATOM 0 HA THR A 11 14.570 -2.240 0.172 1.00 0.66 H new ATOM 0 HB THR A 11 14.872 -4.822 -1.383 1.00 0.82 H new ATOM 0 HG1 THR A 11 15.765 -2.632 -2.725 1.00 0.98 H new ATOM 0 HG21 THR A 11 13.712 -3.585 -3.173 1.00 0.80 H new ATOM 0 HG22 THR A 11 12.725 -3.699 -1.697 1.00 0.80 H new ATOM 0 HG23 THR A 11 13.560 -2.179 -2.094 1.00 0.80 H new ATOM 188 N GLU A 12 13.942 -4.773 1.892 1.00 0.56 N ATOM 189 CA GLU A 12 12.882 -5.334 2.690 1.00 0.47 C ATOM 190 C GLU A 12 12.324 -4.261 3.593 1.00 0.37 C ATOM 191 O GLU A 12 11.147 -4.260 3.947 1.00 0.37 O ATOM 192 CB GLU A 12 13.405 -6.517 3.489 1.00 0.60 C ATOM 193 CG GLU A 12 14.537 -6.163 4.438 1.00 1.46 C ATOM 194 CD GLU A 12 14.949 -7.328 5.309 1.00 2.08 C ATOM 195 OE1 GLU A 12 15.715 -8.190 4.832 1.00 2.71 O ATOM 196 OE2 GLU A 12 14.508 -7.386 6.473 1.00 2.44 O ATOM 0 H GLU A 12 14.887 -4.996 2.204 1.00 0.56 H new ATOM 0 HA GLU A 12 12.081 -5.698 2.047 1.00 0.47 H new ATOM 0 HB2 GLU A 12 12.584 -6.948 4.062 1.00 0.60 H new ATOM 0 HB3 GLU A 12 13.750 -7.286 2.798 1.00 0.60 H new ATOM 0 HG2 GLU A 12 15.397 -5.823 3.861 1.00 1.46 H new ATOM 0 HG3 GLU A 12 14.229 -5.331 5.071 1.00 1.46 H new ATOM 203 N MET A 13 13.184 -3.322 3.902 1.00 0.45 N ATOM 204 CA MET A 13 12.819 -2.180 4.695 1.00 0.51 C ATOM 205 C MET A 13 12.096 -1.245 3.765 1.00 0.38 C ATOM 206 O MET A 13 11.078 -0.647 4.107 1.00 0.36 O ATOM 207 CB MET A 13 14.076 -1.536 5.306 1.00 0.71 C ATOM 208 CG MET A 13 14.341 -0.106 4.857 1.00 1.52 C ATOM 209 SD MET A 13 15.936 0.521 5.422 1.00 2.46 S ATOM 210 CE MET A 13 15.773 0.324 7.193 1.00 3.07 C ATOM 0 H MET A 13 14.161 -3.331 3.608 1.00 0.45 H new ATOM 0 HA MET A 13 12.178 -2.447 5.535 1.00 0.51 H new ATOM 0 HB2 MET A 13 13.983 -1.550 6.392 1.00 0.71 H new ATOM 0 HB3 MET A 13 14.941 -2.148 5.052 1.00 0.71 H new ATOM 0 HG2 MET A 13 14.302 -0.059 3.769 1.00 1.52 H new ATOM 0 HG3 MET A 13 13.548 0.541 5.233 1.00 1.52 H new ATOM 0 HE1 MET A 13 16.538 0.915 7.697 1.00 3.07 H new ATOM 0 HE2 MET A 13 14.786 0.663 7.508 1.00 3.07 H new ATOM 0 HE3 MET A 13 15.896 -0.727 7.455 1.00 3.07 H new ATOM 220 N ASP A 14 12.646 -1.154 2.562 1.00 0.36 N ATOM 221 CA ASP A 14 12.034 -0.433 1.482 1.00 0.31 C ATOM 222 C ASP A 14 10.581 -0.878 1.254 1.00 0.22 C ATOM 223 O ASP A 14 9.648 -0.074 1.303 1.00 0.23 O ATOM 224 CB ASP A 14 12.858 -0.676 0.221 1.00 0.41 C ATOM 225 CG ASP A 14 13.304 0.596 -0.472 1.00 0.60 C ATOM 226 OD1 ASP A 14 13.097 1.686 0.106 1.00 1.02 O ATOM 227 OD2 ASP A 14 13.836 0.520 -1.598 1.00 1.43 O ATOM 0 H ASP A 14 13.537 -1.586 2.318 1.00 0.36 H new ATOM 0 HA ASP A 14 12.011 0.628 1.730 1.00 0.31 H new ATOM 0 HB2 ASP A 14 13.738 -1.265 0.481 1.00 0.41 H new ATOM 0 HB3 ASP A 14 12.270 -1.272 -0.477 1.00 0.41 H new ATOM 232 N LYS A 15 10.409 -2.181 1.035 1.00 0.19 N ATOM 233 CA LYS A 15 9.111 -2.775 0.744 1.00 0.21 C ATOM 234 C LYS A 15 8.114 -2.587 1.892 1.00 0.23 C ATOM 235 O LYS A 15 6.987 -2.172 1.646 1.00 0.25 O ATOM 236 CB LYS A 15 9.276 -4.263 0.381 1.00 0.26 C ATOM 237 CG LYS A 15 9.462 -5.204 1.561 1.00 0.77 C ATOM 238 CD LYS A 15 9.719 -6.627 1.097 1.00 0.95 C ATOM 239 CE LYS A 15 9.685 -7.614 2.254 1.00 1.54 C ATOM 240 NZ LYS A 15 8.305 -7.856 2.750 1.00 2.07 N ATOM 0 H LYS A 15 11.173 -2.856 1.055 1.00 0.19 H new ATOM 0 HA LYS A 15 8.693 -2.251 -0.115 1.00 0.21 H new ATOM 0 HB2 LYS A 15 8.399 -4.582 -0.182 1.00 0.26 H new ATOM 0 HB3 LYS A 15 10.135 -4.365 -0.282 1.00 0.26 H new ATOM 0 HG2 LYS A 15 10.297 -4.862 2.173 1.00 0.77 H new ATOM 0 HG3 LYS A 15 8.573 -5.180 2.192 1.00 0.77 H new ATOM 0 HD2 LYS A 15 8.970 -6.909 0.357 1.00 0.95 H new ATOM 0 HD3 LYS A 15 10.690 -6.679 0.604 1.00 0.95 H new ATOM 0 HE2 LYS A 15 10.125 -8.559 1.935 1.00 1.54 H new ATOM 0 HE3 LYS A 15 10.300 -7.235 3.070 1.00 1.54 H new ATOM 0 HZ1 LYS A 15 8.314 -8.643 3.430 1.00 2.07 H new ATOM 0 HZ2 LYS A 15 7.949 -6.998 3.218 1.00 2.07 H new ATOM 0 HZ3 LYS A 15 7.686 -8.097 1.950 1.00 2.07 H new ATOM 254 N VAL A 16 8.511 -2.858 3.140 1.00 0.25 N ATOM 255 CA VAL A 16 7.598 -2.724 4.249 1.00 0.30 C ATOM 256 C VAL A 16 7.139 -1.280 4.414 1.00 0.31 C ATOM 257 O VAL A 16 5.970 -1.018 4.690 1.00 0.34 O ATOM 258 CB VAL A 16 8.213 -3.229 5.561 1.00 0.36 C ATOM 259 CG1 VAL A 16 8.386 -4.738 5.528 1.00 1.38 C ATOM 260 CG2 VAL A 16 9.532 -2.541 5.878 1.00 1.07 C ATOM 0 H VAL A 16 9.450 -3.167 3.392 1.00 0.25 H new ATOM 0 HA VAL A 16 6.732 -3.345 4.019 1.00 0.30 H new ATOM 0 HB VAL A 16 7.518 -2.975 6.361 1.00 0.36 H new ATOM 0 HG11 VAL A 16 8.823 -5.075 6.468 1.00 1.38 H new ATOM 0 HG12 VAL A 16 7.415 -5.213 5.389 1.00 1.38 H new ATOM 0 HG13 VAL A 16 9.044 -5.011 4.703 1.00 1.38 H new ATOM 0 HG21 VAL A 16 9.930 -2.931 6.815 1.00 1.07 H new ATOM 0 HG22 VAL A 16 10.244 -2.731 5.075 1.00 1.07 H new ATOM 0 HG23 VAL A 16 9.369 -1.467 5.971 1.00 1.07 H new ATOM 270 N ASN A 17 8.064 -0.352 4.228 1.00 0.31 N ATOM 271 CA ASN A 17 7.738 1.066 4.263 1.00 0.33 C ATOM 272 C ASN A 17 6.682 1.410 3.220 1.00 0.31 C ATOM 273 O ASN A 17 5.670 2.041 3.540 1.00 0.33 O ATOM 274 CB ASN A 17 8.984 1.932 4.044 1.00 0.35 C ATOM 275 CG ASN A 17 9.879 2.014 5.270 1.00 0.44 C ATOM 276 OD1 ASN A 17 9.286 1.940 6.453 1.00 1.21 O flip ATOM 277 ND2 ASN A 17 11.097 2.163 5.155 1.00 1.03 N flip ATOM 0 H ASN A 17 9.048 -0.555 4.051 1.00 0.31 H new ATOM 0 HA ASN A 17 7.338 1.280 5.254 1.00 0.33 H new ATOM 0 HB2 ASN A 17 9.557 1.528 3.210 1.00 0.35 H new ATOM 0 HB3 ASN A 17 8.674 2.938 3.760 1.00 0.35 H new ATOM 0 HD21 ASN A 17 11.519 2.216 4.228 1.00 1.03 H new ATOM 0 HD22 ASN A 17 11.683 2.234 5.987 1.00 1.03 H new ATOM 284 N VAL A 18 6.891 0.979 1.977 1.00 0.27 N ATOM 285 CA VAL A 18 5.978 1.335 0.919 1.00 0.27 C ATOM 286 C VAL A 18 4.677 0.527 1.011 1.00 0.29 C ATOM 287 O VAL A 18 3.617 0.982 0.582 1.00 0.32 O ATOM 288 CB VAL A 18 6.634 1.212 -0.454 1.00 0.25 C ATOM 289 CG1 VAL A 18 5.660 1.615 -1.549 1.00 0.29 C ATOM 290 CG2 VAL A 18 7.869 2.101 -0.491 1.00 0.27 C ATOM 0 H VAL A 18 7.675 0.392 1.691 1.00 0.27 H new ATOM 0 HA VAL A 18 5.714 2.385 1.049 1.00 0.27 H new ATOM 0 HB VAL A 18 6.923 0.175 -0.626 1.00 0.25 H new ATOM 0 HG11 VAL A 18 6.145 1.521 -2.520 1.00 0.29 H new ATOM 0 HG12 VAL A 18 4.786 0.965 -1.516 1.00 0.29 H new ATOM 0 HG13 VAL A 18 5.349 2.649 -1.397 1.00 0.29 H new ATOM 0 HG21 VAL A 18 8.346 2.021 -1.468 1.00 0.27 H new ATOM 0 HG22 VAL A 18 7.578 3.136 -0.313 1.00 0.27 H new ATOM 0 HG23 VAL A 18 8.569 1.783 0.282 1.00 0.27 H new ATOM 300 N ASP A 19 4.762 -0.654 1.619 1.00 0.29 N ATOM 301 CA ASP A 19 3.589 -1.498 1.842 1.00 0.32 C ATOM 302 C ASP A 19 2.670 -0.844 2.866 1.00 0.33 C ATOM 303 O ASP A 19 1.490 -0.610 2.599 1.00 0.37 O ATOM 304 CB ASP A 19 4.013 -2.883 2.354 1.00 0.35 C ATOM 305 CG ASP A 19 2.887 -3.908 2.340 1.00 0.50 C ATOM 306 OD1 ASP A 19 1.757 -3.589 2.771 1.00 0.85 O ATOM 307 OD2 ASP A 19 3.138 -5.050 1.905 1.00 0.88 O ATOM 0 H ASP A 19 5.635 -1.050 1.968 1.00 0.29 H new ATOM 0 HA ASP A 19 3.062 -1.615 0.895 1.00 0.32 H new ATOM 0 HB2 ASP A 19 4.836 -3.251 1.742 1.00 0.35 H new ATOM 0 HB3 ASP A 19 4.391 -2.785 3.371 1.00 0.35 H new ATOM 312 N LEU A 20 3.232 -0.535 4.033 1.00 0.33 N ATOM 313 CA LEU A 20 2.475 0.083 5.114 1.00 0.36 C ATOM 314 C LEU A 20 1.869 1.407 4.671 1.00 0.35 C ATOM 315 O LEU A 20 0.728 1.719 5.016 1.00 0.37 O ATOM 316 CB LEU A 20 3.357 0.296 6.346 1.00 0.38 C ATOM 317 CG LEU A 20 3.378 -0.860 7.354 1.00 1.09 C ATOM 318 CD1 LEU A 20 3.848 -2.152 6.703 1.00 1.86 C ATOM 319 CD2 LEU A 20 4.268 -0.510 8.535 1.00 1.85 C ATOM 0 H LEU A 20 4.214 -0.704 4.252 1.00 0.33 H new ATOM 0 HA LEU A 20 1.665 -0.596 5.378 1.00 0.36 H new ATOM 0 HB2 LEU A 20 4.378 0.482 6.012 1.00 0.38 H new ATOM 0 HB3 LEU A 20 3.021 1.197 6.860 1.00 0.38 H new ATOM 0 HG LEU A 20 2.360 -1.016 7.710 1.00 1.09 H new ATOM 0 HD11 LEU A 20 3.852 -2.952 7.443 1.00 1.86 H new ATOM 0 HD12 LEU A 20 3.174 -2.415 5.888 1.00 1.86 H new ATOM 0 HD13 LEU A 20 4.856 -2.016 6.311 1.00 1.86 H new ATOM 0 HD21 LEU A 20 4.275 -1.338 9.244 1.00 1.85 H new ATOM 0 HD22 LEU A 20 5.283 -0.325 8.183 1.00 1.85 H new ATOM 0 HD23 LEU A 20 3.885 0.385 9.026 1.00 1.85 H new ATOM 331 N ALA A 21 2.627 2.183 3.901 1.00 0.34 N ATOM 332 CA ALA A 21 2.123 3.439 3.369 1.00 0.36 C ATOM 333 C ALA A 21 0.923 3.193 2.460 1.00 0.34 C ATOM 334 O ALA A 21 -0.133 3.799 2.637 1.00 0.35 O ATOM 335 CB ALA A 21 3.221 4.168 2.614 1.00 0.40 C ATOM 0 H ALA A 21 3.587 1.963 3.634 1.00 0.34 H new ATOM 0 HA ALA A 21 1.799 4.063 4.202 1.00 0.36 H new ATOM 0 HB1 ALA A 21 2.831 5.107 2.221 1.00 0.40 H new ATOM 0 HB2 ALA A 21 4.051 4.375 3.289 1.00 0.40 H new ATOM 0 HB3 ALA A 21 3.570 3.546 1.789 1.00 0.40 H new ATOM 341 N ALA A 22 1.082 2.269 1.520 1.00 0.33 N ATOM 342 CA ALA A 22 0.028 1.954 0.564 1.00 0.33 C ATOM 343 C ALA A 22 -1.178 1.320 1.253 1.00 0.30 C ATOM 344 O ALA A 22 -2.292 1.371 0.739 1.00 0.30 O ATOM 345 CB ALA A 22 0.559 1.034 -0.523 1.00 0.36 C ATOM 0 H ALA A 22 1.935 1.723 1.399 1.00 0.33 H new ATOM 0 HA ALA A 22 -0.300 2.888 0.109 1.00 0.33 H new ATOM 0 HB1 ALA A 22 -0.239 0.807 -1.230 1.00 0.36 H new ATOM 0 HB2 ALA A 22 1.379 1.525 -1.047 1.00 0.36 H new ATOM 0 HB3 ALA A 22 0.919 0.109 -0.073 1.00 0.36 H new ATOM 351 N ALA A 23 -0.958 0.748 2.431 1.00 0.31 N ATOM 352 CA ALA A 23 -2.024 0.101 3.169 1.00 0.30 C ATOM 353 C ALA A 23 -2.863 1.156 3.829 1.00 0.30 C ATOM 354 O ALA A 23 -4.097 1.160 3.745 1.00 0.27 O ATOM 355 CB ALA A 23 -1.449 -0.822 4.224 1.00 0.32 C ATOM 0 H ALA A 23 -0.048 0.722 2.892 1.00 0.31 H new ATOM 0 HA ALA A 23 -2.632 -0.490 2.484 1.00 0.30 H new ATOM 0 HB1 ALA A 23 -2.262 -1.301 4.770 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -0.835 -1.584 3.745 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -0.836 -0.245 4.917 1.00 0.32 H new ATOM 361 N GLY A 24 -2.158 2.085 4.440 1.00 0.35 N ATOM 362 CA GLY A 24 -2.801 3.129 5.168 1.00 0.41 C ATOM 363 C GLY A 24 -3.576 4.025 4.237 1.00 0.39 C ATOM 364 O GLY A 24 -4.736 4.353 4.485 1.00 0.40 O ATOM 0 H GLY A 24 -1.139 2.128 4.440 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -3.473 2.701 5.912 1.00 0.41 H new ATOM 0 HA3 GLY A 24 -2.057 3.714 5.709 1.00 0.41 H new ATOM 368 N VAL A 25 -2.927 4.378 3.139 1.00 0.40 N ATOM 369 CA VAL A 25 -3.523 5.213 2.116 1.00 0.43 C ATOM 370 C VAL A 25 -4.745 4.546 1.491 1.00 0.35 C ATOM 371 O VAL A 25 -5.797 5.175 1.372 1.00 0.34 O ATOM 372 CB VAL A 25 -2.496 5.553 1.019 1.00 0.58 C ATOM 373 CG1 VAL A 25 -3.156 6.261 -0.145 1.00 1.21 C ATOM 374 CG2 VAL A 25 -1.374 6.404 1.592 1.00 1.00 C ATOM 0 H VAL A 25 -1.970 4.091 2.934 1.00 0.40 H new ATOM 0 HA VAL A 25 -3.845 6.135 2.599 1.00 0.43 H new ATOM 0 HB VAL A 25 -2.074 4.619 0.648 1.00 0.58 H new ATOM 0 HG11 VAL A 25 -2.408 6.489 -0.904 1.00 1.21 H new ATOM 0 HG12 VAL A 25 -3.924 5.617 -0.574 1.00 1.21 H new ATOM 0 HG13 VAL A 25 -3.612 7.187 0.204 1.00 1.21 H new ATOM 0 HG21 VAL A 25 -0.656 6.637 0.806 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.787 7.330 1.991 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -0.873 5.856 2.390 1.00 1.00 H new ATOM 384 N ALA A 26 -4.596 3.282 1.087 1.00 0.36 N ATOM 385 CA ALA A 26 -5.703 2.526 0.504 1.00 0.40 C ATOM 386 C ALA A 26 -6.971 2.641 1.342 1.00 0.37 C ATOM 387 O ALA A 26 -8.033 2.991 0.820 1.00 0.46 O ATOM 388 CB ALA A 26 -5.326 1.062 0.336 1.00 0.46 C ATOM 0 H ALA A 26 -3.721 2.763 1.153 1.00 0.36 H new ATOM 0 HA ALA A 26 -5.906 2.958 -0.476 1.00 0.40 H new ATOM 0 HB1 ALA A 26 -6.164 0.518 -0.099 1.00 0.46 H new ATOM 0 HB2 ALA A 26 -4.461 0.982 -0.322 1.00 0.46 H new ATOM 0 HB3 ALA A 26 -5.082 0.635 1.309 1.00 0.46 H new ATOM 394 N PHE A 27 -6.857 2.363 2.641 1.00 0.32 N ATOM 395 CA PHE A 27 -8.013 2.436 3.530 1.00 0.39 C ATOM 396 C PHE A 27 -8.561 3.863 3.622 1.00 0.46 C ATOM 397 O PHE A 27 -9.761 4.076 3.453 1.00 0.70 O ATOM 398 CB PHE A 27 -7.663 1.899 4.921 1.00 0.43 C ATOM 399 CG PHE A 27 -7.605 0.395 4.986 1.00 0.54 C ATOM 400 CD1 PHE A 27 -6.512 -0.299 4.493 1.00 1.03 C ATOM 401 CD2 PHE A 27 -8.649 -0.321 5.543 1.00 1.08 C ATOM 402 CE1 PHE A 27 -6.464 -1.677 4.550 1.00 1.17 C ATOM 403 CE2 PHE A 27 -8.605 -1.701 5.603 1.00 1.18 C ATOM 404 CZ PHE A 27 -7.511 -2.379 5.107 1.00 0.93 C ATOM 0 H PHE A 27 -5.986 2.088 3.095 1.00 0.32 H new ATOM 0 HA PHE A 27 -8.796 1.808 3.105 1.00 0.39 H new ATOM 0 HB2 PHE A 27 -6.699 2.306 5.227 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -8.402 2.258 5.637 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -5.687 0.246 4.058 1.00 1.03 H new ATOM 0 HD2 PHE A 27 -9.508 0.204 5.935 1.00 1.08 H new ATOM 0 HE1 PHE A 27 -5.607 -2.205 4.159 1.00 1.17 H new ATOM 0 HE2 PHE A 27 -9.428 -2.249 6.038 1.00 1.18 H new ATOM 0 HZ PHE A 27 -7.475 -3.457 5.155 1.00 0.93 H new ATOM 414 N LYS A 28 -7.678 4.827 3.899 1.00 0.39 N ATOM 415 CA LYS A 28 -8.062 6.247 3.928 1.00 0.49 C ATOM 416 C LYS A 28 -8.867 6.638 2.691 1.00 0.53 C ATOM 417 O LYS A 28 -10.068 6.951 2.782 1.00 0.72 O ATOM 418 CB LYS A 28 -6.821 7.134 4.033 1.00 0.52 C ATOM 419 CG LYS A 28 -6.014 6.924 5.305 1.00 0.73 C ATOM 420 CD LYS A 28 -6.826 7.228 6.558 1.00 1.40 C ATOM 421 CE LYS A 28 -5.969 7.101 7.808 1.00 1.99 C ATOM 422 NZ LYS A 28 -6.728 7.438 9.041 1.00 2.26 N ATOM 0 H LYS A 28 -6.694 4.654 4.106 1.00 0.39 H new ATOM 0 HA LYS A 28 -8.691 6.396 4.806 1.00 0.49 H new ATOM 0 HB2 LYS A 28 -6.179 6.945 3.173 1.00 0.52 H new ATOM 0 HB3 LYS A 28 -7.128 8.178 3.979 1.00 0.52 H new ATOM 0 HG2 LYS A 28 -5.661 5.893 5.344 1.00 0.73 H new ATOM 0 HG3 LYS A 28 -5.131 7.562 5.283 1.00 0.73 H new ATOM 0 HD2 LYS A 28 -7.235 8.236 6.494 1.00 1.40 H new ATOM 0 HD3 LYS A 28 -7.672 6.544 6.622 1.00 1.40 H new ATOM 0 HE2 LYS A 28 -5.588 6.083 7.884 1.00 1.99 H new ATOM 0 HE3 LYS A 28 -5.105 7.760 7.723 1.00 1.99 H new ATOM 0 HZ1 LYS A 28 -6.107 7.338 9.869 1.00 2.26 H new ATOM 0 HZ2 LYS A 28 -7.070 8.418 8.981 1.00 2.26 H new ATOM 0 HZ3 LYS A 28 -7.539 6.793 9.137 1.00 2.26 H new ATOM 436 N GLU A 29 -8.215 6.556 1.541 1.00 0.51 N ATOM 437 CA GLU A 29 -8.788 6.977 0.287 1.00 0.72 C ATOM 438 C GLU A 29 -10.160 6.354 0.082 1.00 0.83 C ATOM 439 O GLU A 29 -11.172 7.073 -0.035 1.00 1.02 O ATOM 440 CB GLU A 29 -7.857 6.548 -0.841 1.00 0.85 C ATOM 441 CG GLU A 29 -8.247 7.122 -2.174 1.00 1.25 C ATOM 442 CD GLU A 29 -7.471 6.522 -3.323 1.00 1.49 C ATOM 443 OE1 GLU A 29 -7.808 5.402 -3.755 1.00 1.60 O ATOM 444 OE2 GLU A 29 -6.503 7.166 -3.786 1.00 2.07 O ATOM 0 H GLU A 29 -7.266 6.191 1.459 1.00 0.51 H new ATOM 0 HA GLU A 29 -8.905 8.061 0.292 1.00 0.72 H new ATOM 0 HB2 GLU A 29 -6.839 6.857 -0.602 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -7.853 5.460 -0.907 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -9.312 6.958 -2.337 1.00 1.25 H new ATOM 0 HG3 GLU A 29 -8.089 8.200 -2.160 1.00 1.25 H new ATOM 451 N ARG A 30 -10.170 5.016 0.131 1.00 0.75 N ATOM 452 CA ARG A 30 -11.326 4.211 -0.240 1.00 0.92 C ATOM 453 C ARG A 30 -12.499 4.423 0.706 1.00 1.01 C ATOM 454 O ARG A 30 -13.628 4.616 0.261 1.00 1.17 O ATOM 455 CB ARG A 30 -10.949 2.729 -0.246 1.00 0.95 C ATOM 456 CG ARG A 30 -11.878 1.877 -1.090 1.00 1.25 C ATOM 457 CD ARG A 30 -11.452 1.855 -2.553 1.00 1.86 C ATOM 458 NE ARG A 30 -10.735 3.070 -2.960 1.00 2.39 N ATOM 459 CZ ARG A 30 -11.216 3.974 -3.815 1.00 2.99 C ATOM 460 NH1 ARG A 30 -12.455 3.873 -4.276 1.00 3.23 N ATOM 461 NH2 ARG A 30 -10.466 4.999 -4.195 1.00 3.68 N ATOM 0 H ARG A 30 -9.367 4.464 0.432 1.00 0.75 H new ATOM 0 HA ARG A 30 -11.634 4.528 -1.237 1.00 0.92 H new ATOM 0 HB2 ARG A 30 -9.930 2.622 -0.619 1.00 0.95 H new ATOM 0 HB3 ARG A 30 -10.955 2.356 0.778 1.00 0.95 H new ATOM 0 HG2 ARG A 30 -11.892 0.859 -0.700 1.00 1.25 H new ATOM 0 HG3 ARG A 30 -12.895 2.262 -1.013 1.00 1.25 H new ATOM 0 HD2 ARG A 30 -10.815 0.988 -2.727 1.00 1.86 H new ATOM 0 HD3 ARG A 30 -12.335 1.733 -3.181 1.00 1.86 H new ATOM 0 HE ARG A 30 -9.810 3.233 -2.563 1.00 2.39 H new ATOM 0 HH11 ARG A 30 -13.049 3.099 -3.977 1.00 3.23 H new ATOM 0 HH12 ARG A 30 -12.814 4.569 -4.929 1.00 3.23 H new ATOM 0 HH21 ARG A 30 -9.517 5.099 -3.833 1.00 3.68 H new ATOM 0 HH22 ARG A 30 -10.838 5.688 -4.849 1.00 3.68 H new ATOM 475 N TYR A 31 -12.234 4.380 2.009 1.00 0.98 N ATOM 476 CA TYR A 31 -13.293 4.522 3.001 1.00 1.16 C ATOM 477 C TYR A 31 -13.735 5.967 3.135 1.00 1.45 C ATOM 478 O TYR A 31 -14.568 6.284 3.987 1.00 1.82 O ATOM 479 CB TYR A 31 -12.857 3.959 4.346 1.00 1.06 C ATOM 480 CG TYR A 31 -12.917 2.458 4.364 1.00 0.98 C ATOM 481 CD1 TYR A 31 -14.035 1.769 3.922 1.00 1.52 C ATOM 482 CD2 TYR A 31 -11.845 1.729 4.855 1.00 0.84 C ATOM 483 CE1 TYR A 31 -14.079 0.390 3.968 1.00 1.59 C ATOM 484 CE2 TYR A 31 -11.878 0.357 4.902 1.00 0.92 C ATOM 485 CZ TYR A 31 -13.056 -0.309 4.334 1.00 1.15 C ATOM 486 OH TYR A 31 -13.042 -1.680 4.507 1.00 1.31 O ATOM 0 H TYR A 31 -11.301 4.249 2.400 1.00 0.98 H new ATOM 0 HA TYR A 31 -14.151 3.945 2.654 1.00 1.16 H new ATOM 0 HB2 TYR A 31 -11.840 4.286 4.565 1.00 1.06 H new ATOM 0 HB3 TYR A 31 -13.497 4.359 5.133 1.00 1.06 H new ATOM 0 HD1 TYR A 31 -14.882 2.317 3.537 1.00 1.52 H new ATOM 0 HD2 TYR A 31 -10.967 2.250 5.207 1.00 0.84 H new ATOM 0 HE1 TYR A 31 -14.991 -0.117 3.691 1.00 1.59 H new ATOM 0 HE2 TYR A 31 -11.069 -0.209 5.340 1.00 0.92 H new ATOM 0 HH TYR A 31 -12.147 -1.965 4.786 1.00 1.31 H new ATOM 496 N ASN A 32 -13.105 6.820 2.325 1.00 1.44 N ATOM 497 CA ASN A 32 -13.557 8.185 2.042 1.00 1.86 C ATOM 498 C ASN A 32 -12.648 9.174 2.720 1.00 1.63 C ATOM 499 O ASN A 32 -12.825 9.514 3.893 1.00 2.11 O ATOM 500 CB ASN A 32 -15.019 8.453 2.429 1.00 2.65 C ATOM 501 CG ASN A 32 -15.483 9.850 2.058 1.00 3.48 C ATOM 502 OD1 ASN A 32 -15.112 10.310 0.872 1.00 3.97 O flip ATOM 503 ND2 ASN A 32 -16.205 10.499 2.817 1.00 4.04 N flip ATOM 0 H ASN A 32 -12.245 6.575 1.835 1.00 1.44 H new ATOM 0 HA ASN A 32 -13.509 8.305 0.960 1.00 1.86 H new ATOM 0 HB2 ASN A 32 -15.659 7.721 1.938 1.00 2.65 H new ATOM 0 HB3 ASN A 32 -15.137 8.310 3.503 1.00 2.65 H new ATOM 0 HD21 ASN A 32 -16.470 10.113 3.723 1.00 4.04 H new ATOM 0 HD22 ASN A 32 -16.537 11.423 2.539 1.00 4.04 H new ATOM 510 N MET A 33 -11.660 9.612 1.972 1.00 1.33 N ATOM 511 CA MET A 33 -10.718 10.602 2.461 1.00 1.71 C ATOM 512 C MET A 33 -10.033 11.266 1.279 1.00 1.41 C ATOM 513 O MET A 33 -9.791 10.611 0.265 1.00 1.51 O ATOM 514 CB MET A 33 -9.683 9.935 3.380 1.00 2.55 C ATOM 515 CG MET A 33 -8.749 10.900 4.097 1.00 3.32 C ATOM 516 SD MET A 33 -9.598 11.924 5.313 1.00 4.25 S ATOM 517 CE MET A 33 -8.231 12.905 5.931 1.00 5.24 C ATOM 0 H MET A 33 -11.485 9.298 1.017 1.00 1.33 H new ATOM 0 HA MET A 33 -11.249 11.360 3.038 1.00 1.71 H new ATOM 0 HB2 MET A 33 -10.210 9.340 4.126 1.00 2.55 H new ATOM 0 HB3 MET A 33 -9.083 9.244 2.787 1.00 2.55 H new ATOM 0 HG2 MET A 33 -7.961 10.334 4.593 1.00 3.32 H new ATOM 0 HG3 MET A 33 -8.265 11.543 3.362 1.00 3.32 H new ATOM 0 HE1 MET A 33 -8.593 13.593 6.695 1.00 5.24 H new ATOM 0 HE2 MET A 33 -7.477 12.247 6.363 1.00 5.24 H new ATOM 0 HE3 MET A 33 -7.791 13.473 5.111 1.00 5.24 H new ATOM 527 N PRO A 34 -9.733 12.576 1.375 1.00 1.34 N ATOM 528 CA PRO A 34 -8.925 13.298 0.371 1.00 1.43 C ATOM 529 C PRO A 34 -7.484 12.782 0.295 1.00 1.29 C ATOM 530 O PRO A 34 -6.574 13.482 -0.156 1.00 1.91 O ATOM 531 CB PRO A 34 -8.944 14.750 0.866 1.00 1.79 C ATOM 532 CG PRO A 34 -10.102 14.831 1.798 1.00 1.69 C ATOM 533 CD PRO A 34 -10.204 13.480 2.436 1.00 1.49 C ATOM 0 HA PRO A 34 -9.327 13.170 -0.634 1.00 1.43 H new ATOM 0 HB2 PRO A 34 -8.013 15.005 1.372 1.00 1.79 H new ATOM 0 HB3 PRO A 34 -9.057 15.447 0.036 1.00 1.79 H new ATOM 0 HG2 PRO A 34 -9.948 15.607 2.547 1.00 1.69 H new ATOM 0 HG3 PRO A 34 -11.018 15.082 1.263 1.00 1.69 H new ATOM 0 HD2 PRO A 34 -9.586 13.409 3.331 1.00 1.49 H new ATOM 0 HD3 PRO A 34 -11.227 13.252 2.736 1.00 1.49 H new ATOM 541 N VAL A 35 -7.301 11.553 0.747 1.00 0.78 N ATOM 542 CA VAL A 35 -6.034 10.863 0.680 1.00 0.60 C ATOM 543 C VAL A 35 -5.837 10.305 -0.724 1.00 0.73 C ATOM 544 O VAL A 35 -6.695 9.598 -1.245 1.00 1.16 O ATOM 545 CB VAL A 35 -5.973 9.752 1.769 1.00 0.70 C ATOM 546 CG1 VAL A 35 -5.124 8.574 1.338 1.00 1.25 C ATOM 547 CG2 VAL A 35 -5.437 10.333 3.069 1.00 1.38 C ATOM 0 H VAL A 35 -8.044 11.002 1.177 1.00 0.78 H new ATOM 0 HA VAL A 35 -5.218 11.556 0.882 1.00 0.60 H new ATOM 0 HB VAL A 35 -6.988 9.383 1.919 1.00 0.70 H new ATOM 0 HG11 VAL A 35 -5.112 7.825 2.130 1.00 1.25 H new ATOM 0 HG12 VAL A 35 -5.542 8.136 0.432 1.00 1.25 H new ATOM 0 HG13 VAL A 35 -4.106 8.911 1.142 1.00 1.25 H new ATOM 0 HG21 VAL A 35 -5.396 9.551 3.827 1.00 1.38 H new ATOM 0 HG22 VAL A 35 -4.436 10.731 2.904 1.00 1.38 H new ATOM 0 HG23 VAL A 35 -6.094 11.134 3.408 1.00 1.38 H new ATOM 557 N ILE A 36 -4.724 10.671 -1.344 1.00 0.73 N ATOM 558 CA ILE A 36 -4.473 10.314 -2.731 1.00 0.96 C ATOM 559 C ILE A 36 -3.326 9.320 -2.841 1.00 0.82 C ATOM 560 O ILE A 36 -2.156 9.690 -2.709 1.00 0.79 O ATOM 561 CB ILE A 36 -4.175 11.569 -3.586 1.00 1.32 C ATOM 562 CG1 ILE A 36 -5.433 12.423 -3.701 1.00 1.56 C ATOM 563 CG2 ILE A 36 -3.674 11.184 -4.973 1.00 1.57 C ATOM 564 CD1 ILE A 36 -5.200 13.780 -4.321 1.00 2.20 C ATOM 0 H ILE A 36 -3.980 11.216 -0.907 1.00 0.73 H new ATOM 0 HA ILE A 36 -5.377 9.843 -3.116 1.00 0.96 H new ATOM 0 HB ILE A 36 -3.390 12.143 -3.093 1.00 1.32 H new ATOM 0 HG12 ILE A 36 -6.172 11.885 -4.296 1.00 1.56 H new ATOM 0 HG13 ILE A 36 -5.860 12.558 -2.707 1.00 1.56 H new ATOM 0 HG21 ILE A 36 -3.473 12.086 -5.551 1.00 1.57 H new ATOM 0 HG22 ILE A 36 -2.758 10.601 -4.880 1.00 1.57 H new ATOM 0 HG23 ILE A 36 -4.432 10.589 -5.482 1.00 1.57 H new ATOM 0 HD11 ILE A 36 -6.143 14.326 -4.367 1.00 2.20 H new ATOM 0 HD12 ILE A 36 -4.487 14.339 -3.716 1.00 2.20 H new ATOM 0 HD13 ILE A 36 -4.803 13.656 -5.328 1.00 2.20 H new ATOM 576 N ALA A 37 -3.681 8.051 -3.025 1.00 0.82 N ATOM 577 CA ALA A 37 -2.707 6.975 -3.201 1.00 0.81 C ATOM 578 C ALA A 37 -1.569 7.344 -4.144 1.00 0.90 C ATOM 579 O ALA A 37 -0.403 7.209 -3.790 1.00 0.79 O ATOM 580 CB ALA A 37 -3.409 5.723 -3.705 1.00 1.04 C ATOM 0 H ALA A 37 -4.652 7.739 -3.056 1.00 0.82 H new ATOM 0 HA ALA A 37 -2.259 6.792 -2.224 1.00 0.81 H new ATOM 0 HB1 ALA A 37 -2.679 4.924 -3.835 1.00 1.04 H new ATOM 0 HB2 ALA A 37 -4.163 5.412 -2.981 1.00 1.04 H new ATOM 0 HB3 ALA A 37 -3.889 5.935 -4.661 1.00 1.04 H new ATOM 586 N GLU A 38 -1.904 7.835 -5.326 1.00 1.18 N ATOM 587 CA GLU A 38 -0.889 8.122 -6.337 1.00 1.35 C ATOM 588 C GLU A 38 0.051 9.245 -5.896 1.00 1.26 C ATOM 589 O GLU A 38 1.208 9.300 -6.317 1.00 1.29 O ATOM 590 CB GLU A 38 -1.547 8.449 -7.676 1.00 1.71 C ATOM 591 CG GLU A 38 -2.413 7.312 -8.191 1.00 2.03 C ATOM 592 CD GLU A 38 -2.791 7.465 -9.646 1.00 2.46 C ATOM 593 OE1 GLU A 38 -2.032 6.981 -10.511 1.00 2.71 O ATOM 594 OE2 GLU A 38 -3.860 8.047 -9.931 1.00 2.74 O ATOM 0 H GLU A 38 -2.861 8.043 -5.611 1.00 1.18 H new ATOM 0 HA GLU A 38 -0.280 7.226 -6.460 1.00 1.35 H new ATOM 0 HB2 GLU A 38 -2.157 9.346 -7.568 1.00 1.71 H new ATOM 0 HB3 GLU A 38 -0.775 8.675 -8.411 1.00 1.71 H new ATOM 0 HG2 GLU A 38 -1.882 6.370 -8.057 1.00 2.03 H new ATOM 0 HG3 GLU A 38 -3.321 7.254 -7.590 1.00 2.03 H new ATOM 601 N ALA A 39 -0.438 10.139 -5.050 1.00 1.23 N ATOM 602 CA ALA A 39 0.400 11.203 -4.521 1.00 1.29 C ATOM 603 C ALA A 39 1.213 10.729 -3.323 1.00 1.09 C ATOM 604 O ALA A 39 2.305 11.234 -3.077 1.00 1.19 O ATOM 605 CB ALA A 39 -0.422 12.432 -4.171 1.00 1.45 C ATOM 0 H ALA A 39 -1.402 10.149 -4.718 1.00 1.23 H new ATOM 0 HA ALA A 39 1.102 11.484 -5.306 1.00 1.29 H new ATOM 0 HB1 ALA A 39 0.234 13.209 -3.778 1.00 1.45 H new ATOM 0 HB2 ALA A 39 -0.925 12.800 -5.065 1.00 1.45 H new ATOM 0 HB3 ALA A 39 -1.165 12.170 -3.418 1.00 1.45 H new ATOM 611 N VAL A 40 0.689 9.781 -2.551 1.00 0.85 N ATOM 612 CA VAL A 40 1.506 9.127 -1.539 1.00 0.71 C ATOM 613 C VAL A 40 2.586 8.295 -2.216 1.00 0.63 C ATOM 614 O VAL A 40 3.694 8.146 -1.702 1.00 0.65 O ATOM 615 CB VAL A 40 0.674 8.255 -0.594 1.00 0.58 C ATOM 616 CG1 VAL A 40 1.570 7.641 0.476 1.00 1.14 C ATOM 617 CG2 VAL A 40 -0.426 9.095 0.036 1.00 0.98 C ATOM 0 H VAL A 40 -0.276 9.455 -2.605 1.00 0.85 H new ATOM 0 HA VAL A 40 1.966 9.904 -0.929 1.00 0.71 H new ATOM 0 HB VAL A 40 0.214 7.443 -1.157 1.00 0.58 H new ATOM 0 HG11 VAL A 40 0.969 7.023 1.143 1.00 1.14 H new ATOM 0 HG12 VAL A 40 2.334 7.026 0.001 1.00 1.14 H new ATOM 0 HG13 VAL A 40 2.048 8.435 1.050 1.00 1.14 H new ATOM 0 HG21 VAL A 40 -1.018 8.474 0.708 1.00 0.98 H new ATOM 0 HG22 VAL A 40 0.020 9.916 0.598 1.00 0.98 H new ATOM 0 HG23 VAL A 40 -1.069 9.498 -0.746 1.00 0.98 H new ATOM 627 N GLU A 41 2.257 7.765 -3.388 1.00 0.67 N ATOM 628 CA GLU A 41 3.253 7.155 -4.247 1.00 0.70 C ATOM 629 C GLU A 41 4.322 8.186 -4.559 1.00 0.78 C ATOM 630 O GLU A 41 5.516 7.914 -4.444 1.00 0.72 O ATOM 631 CB GLU A 41 2.627 6.659 -5.550 1.00 0.88 C ATOM 632 CG GLU A 41 3.636 6.056 -6.515 1.00 1.01 C ATOM 633 CD GLU A 41 3.145 6.041 -7.945 1.00 1.29 C ATOM 634 OE1 GLU A 41 2.223 5.268 -8.253 1.00 1.41 O ATOM 635 OE2 GLU A 41 3.691 6.802 -8.772 1.00 1.75 O ATOM 0 H GLU A 41 1.308 7.747 -3.761 1.00 0.67 H new ATOM 0 HA GLU A 41 3.687 6.298 -3.732 1.00 0.70 H new ATOM 0 HB2 GLU A 41 1.867 5.913 -5.318 1.00 0.88 H new ATOM 0 HB3 GLU A 41 2.119 7.490 -6.040 1.00 0.88 H new ATOM 0 HG2 GLU A 41 4.566 6.622 -6.461 1.00 1.01 H new ATOM 0 HG3 GLU A 41 3.865 5.037 -6.204 1.00 1.01 H new ATOM 642 N ARG A 42 3.874 9.378 -4.965 1.00 1.04 N ATOM 643 CA ARG A 42 4.761 10.504 -5.223 1.00 1.20 C ATOM 644 C ARG A 42 5.775 10.753 -4.101 1.00 1.08 C ATOM 645 O ARG A 42 6.933 11.066 -4.372 1.00 1.12 O ATOM 646 CB ARG A 42 3.946 11.776 -5.468 1.00 1.56 C ATOM 647 CG ARG A 42 3.969 12.236 -6.913 1.00 1.84 C ATOM 648 CD ARG A 42 3.494 11.144 -7.852 1.00 1.95 C ATOM 649 NE ARG A 42 3.758 11.487 -9.250 1.00 1.93 N ATOM 650 CZ ARG A 42 4.014 10.596 -10.212 1.00 2.25 C ATOM 651 NH1 ARG A 42 3.989 9.294 -9.953 1.00 2.86 N ATOM 652 NH2 ARG A 42 4.289 11.012 -11.440 1.00 2.43 N ATOM 0 H ARG A 42 2.887 9.584 -5.122 1.00 1.04 H new ATOM 0 HA ARG A 42 5.332 10.242 -6.114 1.00 1.20 H new ATOM 0 HB2 ARG A 42 2.913 11.601 -5.166 1.00 1.56 H new ATOM 0 HB3 ARG A 42 4.332 12.574 -4.834 1.00 1.56 H new ATOM 0 HG2 ARG A 42 3.335 13.115 -7.026 1.00 1.84 H new ATOM 0 HG3 ARG A 42 4.981 12.536 -7.184 1.00 1.84 H new ATOM 0 HD2 ARG A 42 3.994 10.207 -7.605 1.00 1.95 H new ATOM 0 HD3 ARG A 42 2.425 10.981 -7.712 1.00 1.95 H new ATOM 0 HE ARG A 42 3.746 12.474 -9.508 1.00 1.93 H new ATOM 0 HH11 ARG A 42 3.773 8.965 -9.012 1.00 2.86 H new ATOM 0 HH12 ARG A 42 4.186 8.623 -10.695 1.00 2.86 H new ATOM 0 HH21 ARG A 42 4.305 12.010 -11.649 1.00 2.43 H new ATOM 0 HH22 ARG A 42 4.485 10.334 -12.176 1.00 2.43 H new ATOM 666 N GLU A 43 5.350 10.617 -2.851 1.00 1.02 N ATOM 667 CA GLU A 43 6.219 10.949 -1.721 1.00 1.15 C ATOM 668 C GLU A 43 7.032 9.744 -1.238 1.00 1.03 C ATOM 669 O GLU A 43 7.929 9.896 -0.411 1.00 1.43 O ATOM 670 CB GLU A 43 5.400 11.519 -0.557 1.00 1.38 C ATOM 671 CG GLU A 43 4.375 10.551 0.008 1.00 1.70 C ATOM 672 CD GLU A 43 3.706 11.070 1.263 1.00 2.14 C ATOM 673 OE1 GLU A 43 2.745 11.861 1.139 1.00 2.63 O ATOM 674 OE2 GLU A 43 4.133 10.689 2.371 1.00 2.40 O ATOM 0 H GLU A 43 4.421 10.284 -2.592 1.00 1.02 H new ATOM 0 HA GLU A 43 6.921 11.703 -2.077 1.00 1.15 H new ATOM 0 HB2 GLU A 43 6.080 11.818 0.240 1.00 1.38 H new ATOM 0 HB3 GLU A 43 4.887 12.420 -0.894 1.00 1.38 H new ATOM 0 HG2 GLU A 43 3.615 10.352 -0.748 1.00 1.70 H new ATOM 0 HG3 GLU A 43 4.862 9.601 0.228 1.00 1.70 H new ATOM 681 N GLN A 44 6.720 8.558 -1.739 1.00 0.74 N ATOM 682 CA GLN A 44 7.424 7.352 -1.314 1.00 0.80 C ATOM 683 C GLN A 44 8.518 6.961 -2.308 1.00 0.65 C ATOM 684 O GLN A 44 8.510 7.409 -3.457 1.00 0.70 O ATOM 685 CB GLN A 44 6.438 6.194 -1.121 1.00 0.97 C ATOM 686 CG GLN A 44 5.629 6.296 0.163 1.00 1.65 C ATOM 687 CD GLN A 44 6.514 6.404 1.392 1.00 2.74 C ATOM 688 OE1 GLN A 44 6.868 7.500 1.824 1.00 3.44 O ATOM 689 NE2 GLN A 44 6.881 5.267 1.961 1.00 3.29 N ATOM 0 H GLN A 44 5.990 8.403 -2.435 1.00 0.74 H new ATOM 0 HA GLN A 44 7.904 7.568 -0.360 1.00 0.80 H new ATOM 0 HB2 GLN A 44 5.755 6.163 -1.970 1.00 0.97 H new ATOM 0 HB3 GLN A 44 6.989 5.254 -1.120 1.00 0.97 H new ATOM 0 HG2 GLN A 44 4.976 7.167 0.110 1.00 1.65 H new ATOM 0 HG3 GLN A 44 4.986 5.420 0.256 1.00 1.65 H new ATOM 0 HE21 GLN A 44 6.567 4.378 1.573 1.00 3.29 H new ATOM 0 HE22 GLN A 44 7.478 5.280 2.788 1.00 3.29 H new ATOM 698 N PRO A 45 9.490 6.138 -1.861 1.00 0.69 N ATOM 699 CA PRO A 45 10.590 5.659 -2.709 1.00 0.75 C ATOM 700 C PRO A 45 10.098 4.992 -3.990 1.00 0.63 C ATOM 701 O PRO A 45 9.293 4.057 -3.952 1.00 0.61 O ATOM 702 CB PRO A 45 11.309 4.639 -1.823 1.00 0.96 C ATOM 703 CG PRO A 45 10.999 5.064 -0.433 1.00 1.08 C ATOM 704 CD PRO A 45 9.609 5.627 -0.481 1.00 0.87 C ATOM 0 HA PRO A 45 11.225 6.480 -3.043 1.00 0.75 H new ATOM 0 HB2 PRO A 45 10.954 3.627 -2.016 1.00 0.96 H new ATOM 0 HB3 PRO A 45 12.383 4.641 -2.008 1.00 0.96 H new ATOM 0 HG2 PRO A 45 11.057 4.221 0.256 1.00 1.08 H new ATOM 0 HG3 PRO A 45 11.712 5.811 -0.084 1.00 1.08 H new ATOM 0 HD2 PRO A 45 8.860 4.864 -0.270 1.00 0.87 H new ATOM 0 HD3 PRO A 45 9.472 6.420 0.254 1.00 0.87 H new ATOM 712 N GLU A 46 10.603 5.480 -5.120 1.00 0.63 N ATOM 713 CA GLU A 46 10.244 4.954 -6.433 1.00 0.62 C ATOM 714 C GLU A 46 10.608 3.478 -6.559 1.00 0.52 C ATOM 715 O GLU A 46 10.045 2.756 -7.383 1.00 0.54 O ATOM 716 CB GLU A 46 10.940 5.757 -7.533 1.00 0.73 C ATOM 717 CG GLU A 46 10.656 5.233 -8.930 1.00 0.80 C ATOM 718 CD GLU A 46 11.305 6.063 -10.015 1.00 1.16 C ATOM 719 OE1 GLU A 46 11.038 7.280 -10.080 1.00 1.64 O ATOM 720 OE2 GLU A 46 12.070 5.499 -10.821 1.00 1.48 O ATOM 0 H GLU A 46 11.271 6.250 -5.151 1.00 0.63 H new ATOM 0 HA GLU A 46 9.164 5.048 -6.546 1.00 0.62 H new ATOM 0 HB2 GLU A 46 10.621 6.797 -7.471 1.00 0.73 H new ATOM 0 HB3 GLU A 46 12.016 5.742 -7.359 1.00 0.73 H new ATOM 0 HG2 GLU A 46 11.010 4.205 -9.006 1.00 0.80 H new ATOM 0 HG3 GLU A 46 9.578 5.212 -9.092 1.00 0.80 H new ATOM 727 N HIS A 47 11.564 3.037 -5.749 1.00 0.48 N ATOM 728 CA HIS A 47 11.986 1.642 -5.750 1.00 0.47 C ATOM 729 C HIS A 47 10.773 0.722 -5.576 1.00 0.35 C ATOM 730 O HIS A 47 10.696 -0.342 -6.191 1.00 0.43 O ATOM 731 CB HIS A 47 13.012 1.394 -4.631 1.00 0.56 C ATOM 732 CG HIS A 47 13.774 0.101 -4.764 1.00 0.71 C ATOM 733 ND1 HIS A 47 13.382 -1.122 -5.184 1.00 1.18 N flip ATOM 734 CD2 HIS A 47 15.110 -0.022 -4.449 1.00 0.71 C flip ATOM 735 CE1 HIS A 47 14.473 -1.951 -5.121 1.00 1.22 C flip ATOM 736 NE2 HIS A 47 15.503 -1.261 -4.672 1.00 0.95 N flip ATOM 0 H HIS A 47 12.062 3.627 -5.082 1.00 0.48 H new ATOM 0 HA HIS A 47 12.457 1.420 -6.707 1.00 0.47 H new ATOM 0 HB2 HIS A 47 13.722 2.221 -4.615 1.00 0.56 H new ATOM 0 HB3 HIS A 47 12.495 1.400 -3.672 1.00 0.56 H new ATOM 0 HD1 HIS A 47 12.445 -1.382 -5.492 1.00 1.18 H new ATOM 0 HD2 HIS A 47 15.738 0.774 -4.077 1.00 0.71 H new ATOM 0 HE1 HIS A 47 14.486 -2.996 -5.394 1.00 1.22 H new ATOM 745 N LEU A 48 9.828 1.141 -4.740 1.00 0.25 N ATOM 746 CA LEU A 48 8.583 0.402 -4.560 1.00 0.21 C ATOM 747 C LEU A 48 7.430 1.149 -5.215 1.00 0.27 C ATOM 748 O LEU A 48 6.354 1.226 -4.645 1.00 0.31 O ATOM 749 CB LEU A 48 8.213 0.218 -3.080 1.00 0.26 C ATOM 750 CG LEU A 48 9.109 -0.663 -2.206 1.00 0.27 C ATOM 751 CD1 LEU A 48 9.429 -1.975 -2.910 1.00 0.28 C ATOM 752 CD2 LEU A 48 10.365 0.094 -1.851 1.00 0.26 C ATOM 0 H LEU A 48 9.901 1.988 -4.177 1.00 0.25 H new ATOM 0 HA LEU A 48 8.744 -0.575 -5.016 1.00 0.21 H new ATOM 0 HB2 LEU A 48 8.174 1.207 -2.623 1.00 0.26 H new ATOM 0 HB3 LEU A 48 7.204 -0.192 -3.039 1.00 0.26 H new ATOM 0 HG LEU A 48 8.581 -0.912 -1.285 1.00 0.27 H new ATOM 0 HD11 LEU A 48 10.067 -2.585 -2.270 1.00 0.28 H new ATOM 0 HD12 LEU A 48 8.503 -2.512 -3.117 1.00 0.28 H new ATOM 0 HD13 LEU A 48 9.946 -1.768 -3.847 1.00 0.28 H new ATOM 0 HD21 LEU A 48 11.004 -0.533 -1.229 1.00 0.26 H new ATOM 0 HD22 LEU A 48 10.898 0.363 -2.763 1.00 0.26 H new ATOM 0 HD23 LEU A 48 10.102 1.000 -1.305 1.00 0.26 H new ATOM 764 N ARG A 49 7.637 1.707 -6.393 1.00 0.31 N ATOM 765 CA ARG A 49 6.568 2.452 -7.050 1.00 0.41 C ATOM 766 C ARG A 49 5.511 1.497 -7.601 1.00 0.41 C ATOM 767 O ARG A 49 4.324 1.617 -7.289 1.00 0.43 O ATOM 768 CB ARG A 49 7.125 3.346 -8.155 1.00 0.54 C ATOM 769 CG ARG A 49 6.090 4.289 -8.738 1.00 1.23 C ATOM 770 CD ARG A 49 6.737 5.416 -9.521 1.00 1.31 C ATOM 771 NE ARG A 49 7.535 4.929 -10.644 1.00 1.89 N ATOM 772 CZ ARG A 49 7.176 5.067 -11.919 1.00 2.35 C ATOM 773 NH1 ARG A 49 6.013 5.632 -12.221 1.00 2.52 N ATOM 774 NH2 ARG A 49 7.977 4.643 -12.887 1.00 3.17 N ATOM 0 H ARG A 49 8.515 1.663 -6.910 1.00 0.31 H new ATOM 0 HA ARG A 49 6.094 3.095 -6.308 1.00 0.41 H new ATOM 0 HB2 ARG A 49 7.956 3.929 -7.758 1.00 0.54 H new ATOM 0 HB3 ARG A 49 7.527 2.720 -8.952 1.00 0.54 H new ATOM 0 HG2 ARG A 49 5.417 3.732 -9.390 1.00 1.23 H new ATOM 0 HG3 ARG A 49 5.483 4.706 -7.934 1.00 1.23 H new ATOM 0 HD2 ARG A 49 5.963 6.087 -9.893 1.00 1.31 H new ATOM 0 HD3 ARG A 49 7.372 6.000 -8.854 1.00 1.31 H new ATOM 0 HE ARG A 49 8.416 4.457 -10.440 1.00 1.89 H new ATOM 0 HH11 ARG A 49 5.397 5.959 -11.477 1.00 2.52 H new ATOM 0 HH12 ARG A 49 5.736 5.739 -13.197 1.00 2.52 H new ATOM 0 HH21 ARG A 49 8.871 4.210 -12.656 1.00 3.17 H new ATOM 0 HH22 ARG A 49 7.699 4.750 -13.863 1.00 3.17 H new ATOM 788 N SER A 50 5.945 0.547 -8.419 1.00 0.42 N ATOM 789 CA SER A 50 5.063 -0.513 -8.891 1.00 0.44 C ATOM 790 C SER A 50 4.540 -1.324 -7.704 1.00 0.37 C ATOM 791 O SER A 50 3.389 -1.754 -7.688 1.00 0.36 O ATOM 792 CB SER A 50 5.805 -1.412 -9.882 1.00 0.48 C ATOM 793 OG SER A 50 6.314 -0.651 -10.968 1.00 1.37 O ATOM 0 H SER A 50 6.901 0.488 -8.769 1.00 0.42 H new ATOM 0 HA SER A 50 4.211 -0.068 -9.406 1.00 0.44 H new ATOM 0 HB2 SER A 50 6.623 -1.923 -9.375 1.00 0.48 H new ATOM 0 HB3 SER A 50 5.131 -2.183 -10.256 1.00 0.48 H new ATOM 0 HG SER A 50 6.786 -1.243 -11.590 1.00 1.37 H new ATOM 799 N TRP A 51 5.405 -1.501 -6.713 1.00 0.33 N ATOM 800 CA TRP A 51 5.048 -2.144 -5.451 1.00 0.28 C ATOM 801 C TRP A 51 3.974 -1.350 -4.718 1.00 0.29 C ATOM 802 O TRP A 51 3.051 -1.932 -4.172 1.00 0.30 O ATOM 803 CB TRP A 51 6.312 -2.284 -4.601 1.00 0.25 C ATOM 804 CG TRP A 51 6.114 -2.543 -3.143 1.00 0.23 C ATOM 805 CD1 TRP A 51 5.839 -1.658 -2.127 1.00 0.23 C ATOM 806 CD2 TRP A 51 6.284 -3.799 -2.533 1.00 0.23 C ATOM 807 NE1 TRP A 51 5.812 -2.318 -0.937 1.00 0.25 N ATOM 808 CE2 TRP A 51 6.080 -3.630 -1.161 1.00 0.24 C ATOM 809 CE3 TRP A 51 6.580 -5.058 -3.026 1.00 0.25 C ATOM 810 CZ2 TRP A 51 6.178 -4.669 -0.272 1.00 0.27 C ATOM 811 CZ3 TRP A 51 6.676 -6.098 -2.149 1.00 0.27 C ATOM 812 CH2 TRP A 51 6.476 -5.903 -0.773 1.00 0.28 C ATOM 0 H TRP A 51 6.379 -1.202 -6.761 1.00 0.33 H new ATOM 0 HA TRP A 51 4.632 -3.132 -5.647 1.00 0.28 H new ATOM 0 HB2 TRP A 51 6.911 -3.096 -5.013 1.00 0.25 H new ATOM 0 HB3 TRP A 51 6.897 -1.371 -4.708 1.00 0.25 H new ATOM 0 HD1 TRP A 51 5.670 -0.599 -2.254 1.00 0.23 H new ATOM 0 HE1 TRP A 51 5.622 -1.897 -0.028 1.00 0.25 H new ATOM 0 HE3 TRP A 51 6.732 -5.214 -4.084 1.00 0.25 H new ATOM 0 HZ2 TRP A 51 6.025 -4.517 0.786 1.00 0.27 H new ATOM 0 HZ3 TRP A 51 6.909 -7.086 -2.518 1.00 0.27 H new ATOM 0 HH2 TRP A 51 6.559 -6.743 -0.100 1.00 0.28 H new ATOM 823 N PHE A 52 4.114 -0.029 -4.676 1.00 0.32 N ATOM 824 CA PHE A 52 3.086 0.828 -4.100 1.00 0.34 C ATOM 825 C PHE A 52 1.747 0.539 -4.757 1.00 0.35 C ATOM 826 O PHE A 52 0.760 0.281 -4.069 1.00 0.35 O ATOM 827 CB PHE A 52 3.443 2.313 -4.251 1.00 0.35 C ATOM 828 CG PHE A 52 2.592 3.214 -3.398 1.00 0.37 C ATOM 829 CD1 PHE A 52 1.386 3.698 -3.866 1.00 0.44 C ATOM 830 CD2 PHE A 52 2.998 3.564 -2.119 1.00 0.38 C ATOM 831 CE1 PHE A 52 0.599 4.514 -3.079 1.00 0.47 C ATOM 832 CE2 PHE A 52 2.214 4.378 -1.327 1.00 0.41 C ATOM 833 CZ PHE A 52 1.013 4.853 -1.808 1.00 0.44 C ATOM 0 H PHE A 52 4.928 0.470 -5.034 1.00 0.32 H new ATOM 0 HA PHE A 52 3.021 0.610 -3.034 1.00 0.34 H new ATOM 0 HB2 PHE A 52 4.491 2.457 -3.988 1.00 0.35 H new ATOM 0 HB3 PHE A 52 3.334 2.602 -5.296 1.00 0.35 H new ATOM 0 HD1 PHE A 52 1.055 3.435 -4.860 1.00 0.44 H new ATOM 0 HD2 PHE A 52 3.939 3.195 -1.738 1.00 0.38 H new ATOM 0 HE1 PHE A 52 -0.341 4.887 -3.458 1.00 0.47 H new ATOM 0 HE2 PHE A 52 2.541 4.642 -0.332 1.00 0.41 H new ATOM 0 HZ PHE A 52 0.397 5.490 -1.190 1.00 0.44 H new ATOM 843 N ARG A 53 1.730 0.546 -6.092 1.00 0.38 N ATOM 844 CA ARG A 53 0.523 0.187 -6.837 1.00 0.40 C ATOM 845 C ARG A 53 0.068 -1.182 -6.410 1.00 0.34 C ATOM 846 O ARG A 53 -1.093 -1.399 -6.124 1.00 0.31 O ATOM 847 CB ARG A 53 0.766 0.098 -8.337 1.00 0.46 C ATOM 848 CG ARG A 53 1.645 1.200 -8.907 1.00 0.86 C ATOM 849 CD ARG A 53 1.047 2.582 -8.674 1.00 1.50 C ATOM 850 NE ARG A 53 -0.246 2.757 -9.340 1.00 2.07 N ATOM 851 CZ ARG A 53 -0.781 3.947 -9.631 1.00 2.80 C ATOM 852 NH1 ARG A 53 -0.128 5.065 -9.350 1.00 3.09 N ATOM 853 NH2 ARG A 53 -1.968 4.018 -10.222 1.00 3.68 N ATOM 0 H ARG A 53 2.530 0.794 -6.674 1.00 0.38 H new ATOM 0 HA ARG A 53 -0.211 0.965 -6.630 1.00 0.40 H new ATOM 0 HB2 ARG A 53 1.225 -0.865 -8.560 1.00 0.46 H new ATOM 0 HB3 ARG A 53 -0.196 0.119 -8.849 1.00 0.46 H new ATOM 0 HG2 ARG A 53 2.633 1.150 -8.449 1.00 0.86 H new ATOM 0 HG3 ARG A 53 1.781 1.039 -9.976 1.00 0.86 H new ATOM 0 HD2 ARG A 53 0.925 2.745 -7.603 1.00 1.50 H new ATOM 0 HD3 ARG A 53 1.742 3.340 -9.034 1.00 1.50 H new ATOM 0 HE ARG A 53 -0.770 1.920 -9.597 1.00 2.07 H new ATOM 0 HH11 ARG A 53 0.790 5.022 -8.908 1.00 3.09 H new ATOM 0 HH12 ARG A 53 -0.544 5.969 -9.575 1.00 3.09 H new ATOM 0 HH21 ARG A 53 -2.474 3.163 -10.455 1.00 3.68 H new ATOM 0 HH22 ARG A 53 -2.374 4.927 -10.443 1.00 3.68 H new ATOM 867 N GLU A 54 1.021 -2.093 -6.385 1.00 0.33 N ATOM 868 CA GLU A 54 0.781 -3.495 -6.117 1.00 0.31 C ATOM 869 C GLU A 54 0.179 -3.710 -4.724 1.00 0.28 C ATOM 870 O GLU A 54 -0.692 -4.558 -4.524 1.00 0.28 O ATOM 871 CB GLU A 54 2.107 -4.242 -6.244 1.00 0.39 C ATOM 872 CG GLU A 54 2.022 -5.708 -5.921 1.00 1.11 C ATOM 873 CD GLU A 54 1.535 -6.541 -7.085 1.00 1.27 C ATOM 874 OE1 GLU A 54 0.312 -6.586 -7.319 1.00 1.64 O ATOM 875 OE2 GLU A 54 2.375 -7.177 -7.757 1.00 1.70 O ATOM 0 H GLU A 54 2.003 -1.874 -6.554 1.00 0.33 H new ATOM 0 HA GLU A 54 0.059 -3.877 -6.838 1.00 0.31 H new ATOM 0 HB2 GLU A 54 2.480 -4.127 -7.262 1.00 0.39 H new ATOM 0 HB3 GLU A 54 2.838 -3.777 -5.582 1.00 0.39 H new ATOM 0 HG2 GLU A 54 3.005 -6.064 -5.612 1.00 1.11 H new ATOM 0 HG3 GLU A 54 1.351 -5.850 -5.074 1.00 1.11 H new ATOM 882 N ARG A 55 0.647 -2.948 -3.757 1.00 0.29 N ATOM 883 CA ARG A 55 0.117 -3.042 -2.417 1.00 0.31 C ATOM 884 C ARG A 55 -1.242 -2.381 -2.370 1.00 0.28 C ATOM 885 O ARG A 55 -2.147 -2.860 -1.692 1.00 0.28 O ATOM 886 CB ARG A 55 1.079 -2.430 -1.401 1.00 0.42 C ATOM 887 CG ARG A 55 2.446 -3.106 -1.373 1.00 0.95 C ATOM 888 CD ARG A 55 2.364 -4.585 -0.995 1.00 1.13 C ATOM 889 NE ARG A 55 1.717 -5.410 -2.021 1.00 1.01 N ATOM 890 CZ ARG A 55 1.804 -6.741 -2.072 1.00 1.16 C ATOM 891 NH1 ARG A 55 2.536 -7.398 -1.181 1.00 1.83 N ATOM 892 NH2 ARG A 55 1.150 -7.415 -3.013 1.00 1.56 N ATOM 0 H ARG A 55 1.391 -2.260 -3.875 1.00 0.29 H new ATOM 0 HA ARG A 55 0.003 -4.092 -2.148 1.00 0.31 H new ATOM 0 HB2 ARG A 55 1.210 -1.372 -1.628 1.00 0.42 H new ATOM 0 HB3 ARG A 55 0.633 -2.490 -0.408 1.00 0.42 H new ATOM 0 HG2 ARG A 55 2.914 -3.011 -2.353 1.00 0.95 H new ATOM 0 HG3 ARG A 55 3.089 -2.588 -0.661 1.00 0.95 H new ATOM 0 HD2 ARG A 55 3.370 -4.963 -0.815 1.00 1.13 H new ATOM 0 HD3 ARG A 55 1.814 -4.684 -0.059 1.00 1.13 H new ATOM 0 HE ARG A 55 1.167 -4.938 -2.739 1.00 1.01 H new ATOM 0 HH11 ARG A 55 3.035 -6.886 -0.454 1.00 1.83 H new ATOM 0 HH12 ARG A 55 2.600 -8.415 -1.224 1.00 1.83 H new ATOM 0 HH21 ARG A 55 0.581 -6.915 -3.696 1.00 1.56 H new ATOM 0 HH22 ARG A 55 1.217 -8.432 -3.052 1.00 1.56 H new ATOM 906 N LEU A 56 -1.393 -1.299 -3.122 1.00 0.29 N ATOM 907 CA LEU A 56 -2.704 -0.716 -3.346 1.00 0.28 C ATOM 908 C LEU A 56 -3.610 -1.767 -3.966 1.00 0.26 C ATOM 909 O LEU A 56 -4.770 -1.873 -3.617 1.00 0.29 O ATOM 910 CB LEU A 56 -2.628 0.495 -4.280 1.00 0.31 C ATOM 911 CG LEU A 56 -1.816 1.686 -3.776 1.00 0.33 C ATOM 912 CD1 LEU A 56 -1.754 2.759 -4.851 1.00 0.37 C ATOM 913 CD2 LEU A 56 -2.422 2.244 -2.499 1.00 0.34 C ATOM 0 H LEU A 56 -0.626 -0.811 -3.584 1.00 0.29 H new ATOM 0 HA LEU A 56 -3.100 -0.381 -2.387 1.00 0.28 H new ATOM 0 HB2 LEU A 56 -2.204 0.169 -5.230 1.00 0.31 H new ATOM 0 HB3 LEU A 56 -3.644 0.835 -4.484 1.00 0.31 H new ATOM 0 HG LEU A 56 -0.803 1.352 -3.552 1.00 0.33 H new ATOM 0 HD11 LEU A 56 -1.174 3.606 -4.486 1.00 0.37 H new ATOM 0 HD12 LEU A 56 -1.280 2.352 -5.744 1.00 0.37 H new ATOM 0 HD13 LEU A 56 -2.764 3.089 -5.094 1.00 0.37 H new ATOM 0 HD21 LEU A 56 -1.829 3.092 -2.155 1.00 0.34 H new ATOM 0 HD22 LEU A 56 -3.444 2.570 -2.693 1.00 0.34 H new ATOM 0 HD23 LEU A 56 -2.428 1.471 -1.731 1.00 0.34 H new ATOM 925 N ILE A 57 -3.049 -2.558 -4.874 1.00 0.25 N ATOM 926 CA ILE A 57 -3.765 -3.614 -5.549 1.00 0.26 C ATOM 927 C ILE A 57 -4.417 -4.567 -4.547 1.00 0.27 C ATOM 928 O ILE A 57 -5.645 -4.710 -4.514 1.00 0.32 O ATOM 929 CB ILE A 57 -2.796 -4.375 -6.478 1.00 0.28 C ATOM 930 CG1 ILE A 57 -2.445 -3.516 -7.696 1.00 0.39 C ATOM 931 CG2 ILE A 57 -3.356 -5.710 -6.910 1.00 0.34 C ATOM 932 CD1 ILE A 57 -3.621 -3.223 -8.601 1.00 0.99 C ATOM 0 H ILE A 57 -2.073 -2.476 -5.159 1.00 0.25 H new ATOM 0 HA ILE A 57 -4.564 -3.173 -6.146 1.00 0.26 H new ATOM 0 HB ILE A 57 -1.887 -4.576 -5.912 1.00 0.28 H new ATOM 0 HG12 ILE A 57 -2.020 -2.573 -7.352 1.00 0.39 H new ATOM 0 HG13 ILE A 57 -1.672 -4.022 -8.274 1.00 0.39 H new ATOM 0 HG21 ILE A 57 -2.641 -6.211 -7.562 1.00 0.34 H new ATOM 0 HG22 ILE A 57 -3.541 -6.328 -6.032 1.00 0.34 H new ATOM 0 HG23 ILE A 57 -4.291 -5.555 -7.448 1.00 0.34 H new ATOM 0 HD11 ILE A 57 -3.291 -2.610 -9.440 1.00 0.99 H new ATOM 0 HD12 ILE A 57 -4.034 -4.160 -8.976 1.00 0.99 H new ATOM 0 HD13 ILE A 57 -4.387 -2.688 -8.040 1.00 0.99 H new ATOM 944 N ALA A 58 -3.597 -5.166 -3.690 1.00 0.28 N ATOM 945 CA ALA A 58 -4.079 -6.152 -2.727 1.00 0.34 C ATOM 946 C ALA A 58 -4.851 -5.512 -1.575 1.00 0.40 C ATOM 947 O ALA A 58 -5.841 -6.065 -1.100 1.00 0.48 O ATOM 948 CB ALA A 58 -2.917 -6.973 -2.188 1.00 0.40 C ATOM 0 H ALA A 58 -2.594 -4.986 -3.642 1.00 0.28 H new ATOM 0 HA ALA A 58 -4.772 -6.806 -3.256 1.00 0.34 H new ATOM 0 HB1 ALA A 58 -3.290 -7.704 -1.471 1.00 0.40 H new ATOM 0 HB2 ALA A 58 -2.424 -7.490 -3.011 1.00 0.40 H new ATOM 0 HB3 ALA A 58 -2.203 -6.313 -1.695 1.00 0.40 H new ATOM 954 N HIS A 59 -4.415 -4.342 -1.134 1.00 0.40 N ATOM 955 CA HIS A 59 -5.026 -3.689 0.020 1.00 0.50 C ATOM 956 C HIS A 59 -6.335 -3.022 -0.382 1.00 0.55 C ATOM 957 O HIS A 59 -7.239 -2.870 0.438 1.00 0.65 O ATOM 958 CB HIS A 59 -4.072 -2.668 0.661 1.00 0.55 C ATOM 959 CG HIS A 59 -2.812 -3.271 1.229 1.00 0.64 C ATOM 960 ND1 HIS A 59 -2.761 -4.526 1.796 1.00 0.90 N ATOM 961 CD2 HIS A 59 -1.550 -2.782 1.302 1.00 0.73 C ATOM 962 CE1 HIS A 59 -1.527 -4.780 2.195 1.00 0.95 C ATOM 963 NE2 HIS A 59 -0.773 -3.739 1.907 1.00 0.82 N ATOM 0 H HIS A 59 -3.643 -3.824 -1.554 1.00 0.40 H new ATOM 0 HA HIS A 59 -5.236 -4.455 0.766 1.00 0.50 H new ATOM 0 HB2 HIS A 59 -3.800 -1.923 -0.086 1.00 0.55 H new ATOM 0 HB3 HIS A 59 -4.601 -2.143 1.457 1.00 0.55 H new ATOM 0 HD2 HIS A 59 -1.217 -1.817 0.949 1.00 0.73 H new ATOM 0 HE1 HIS A 59 -1.193 -5.688 2.676 1.00 0.95 H new ATOM 0 HE2 HIS A 59 0.225 -3.657 2.102 1.00 0.82 H new ATOM 972 N ARG A 60 -6.442 -2.629 -1.646 1.00 0.52 N ATOM 973 CA ARG A 60 -7.681 -2.058 -2.152 1.00 0.64 C ATOM 974 C ARG A 60 -8.693 -3.164 -2.362 1.00 0.65 C ATOM 975 O ARG A 60 -9.859 -2.998 -2.035 1.00 0.78 O ATOM 976 CB ARG A 60 -7.472 -1.314 -3.469 1.00 0.73 C ATOM 977 CG ARG A 60 -8.565 -0.310 -3.794 1.00 1.22 C ATOM 978 CD ARG A 60 -8.430 0.223 -5.212 1.00 1.44 C ATOM 979 NE ARG A 60 -7.032 0.457 -5.586 1.00 1.87 N ATOM 980 CZ ARG A 60 -6.528 1.651 -5.907 1.00 2.56 C ATOM 981 NH1 ARG A 60 -7.283 2.743 -5.838 1.00 2.86 N ATOM 982 NH2 ARG A 60 -5.260 1.755 -6.290 1.00 3.46 N ATOM 0 H ARG A 60 -5.691 -2.695 -2.333 1.00 0.52 H new ATOM 0 HA ARG A 60 -8.042 -1.341 -1.415 1.00 0.64 H new ATOM 0 HB2 ARG A 60 -6.515 -0.794 -3.432 1.00 0.73 H new ATOM 0 HB3 ARG A 60 -7.409 -2.041 -4.279 1.00 0.73 H new ATOM 0 HG2 ARG A 60 -9.541 -0.781 -3.673 1.00 1.22 H new ATOM 0 HG3 ARG A 60 -8.521 0.519 -3.087 1.00 1.22 H new ATOM 0 HD2 ARG A 60 -8.877 -0.486 -5.909 1.00 1.44 H new ATOM 0 HD3 ARG A 60 -8.989 1.154 -5.303 1.00 1.44 H new ATOM 0 HE ARG A 60 -6.403 -0.346 -5.602 1.00 1.87 H new ATOM 0 HH11 ARG A 60 -8.255 2.673 -5.538 1.00 2.86 H new ATOM 0 HH12 ARG A 60 -6.890 3.651 -6.085 1.00 2.86 H new ATOM 0 HH21 ARG A 60 -4.672 0.923 -6.339 1.00 3.46 H new ATOM 0 HH22 ARG A 60 -4.875 2.667 -6.535 1.00 3.46 H new ATOM 996 N LEU A 61 -8.244 -4.298 -2.906 1.00 0.58 N ATOM 997 CA LEU A 61 -9.137 -5.436 -3.082 1.00 0.67 C ATOM 998 C LEU A 61 -9.554 -5.966 -1.716 1.00 0.70 C ATOM 999 O LEU A 61 -10.640 -6.523 -1.557 1.00 0.82 O ATOM 1000 CB LEU A 61 -8.494 -6.535 -3.962 1.00 0.70 C ATOM 1001 CG LEU A 61 -7.403 -7.410 -3.326 1.00 1.19 C ATOM 1002 CD1 LEU A 61 -8.006 -8.552 -2.516 1.00 1.83 C ATOM 1003 CD2 LEU A 61 -6.486 -7.965 -4.405 1.00 1.81 C ATOM 0 H LEU A 61 -7.287 -4.448 -3.225 1.00 0.58 H new ATOM 0 HA LEU A 61 -10.030 -5.108 -3.613 1.00 0.67 H new ATOM 0 HB2 LEU A 61 -9.290 -7.192 -4.313 1.00 0.70 H new ATOM 0 HB3 LEU A 61 -8.067 -6.054 -4.842 1.00 0.70 H new ATOM 0 HG LEU A 61 -6.825 -6.784 -2.646 1.00 1.19 H new ATOM 0 HD11 LEU A 61 -7.206 -9.151 -2.080 1.00 1.83 H new ATOM 0 HD12 LEU A 61 -8.629 -8.144 -1.720 1.00 1.83 H new ATOM 0 HD13 LEU A 61 -8.615 -9.179 -3.168 1.00 1.83 H new ATOM 0 HD21 LEU A 61 -5.716 -8.584 -3.945 1.00 1.81 H new ATOM 0 HD22 LEU A 61 -7.068 -8.568 -5.102 1.00 1.81 H new ATOM 0 HD23 LEU A 61 -6.016 -7.141 -4.942 1.00 1.81 H new ATOM 1015 N ALA A 62 -8.691 -5.766 -0.721 1.00 0.67 N ATOM 1016 CA ALA A 62 -9.032 -6.121 0.650 1.00 0.83 C ATOM 1017 C ALA A 62 -10.095 -5.176 1.210 1.00 0.94 C ATOM 1018 O ALA A 62 -11.073 -5.617 1.815 1.00 1.16 O ATOM 1019 CB ALA A 62 -7.795 -6.101 1.533 1.00 0.89 C ATOM 0 H ALA A 62 -7.761 -5.364 -0.839 1.00 0.67 H new ATOM 0 HA ALA A 62 -9.439 -7.132 0.643 1.00 0.83 H new ATOM 0 HB1 ALA A 62 -8.072 -6.369 2.553 1.00 0.89 H new ATOM 0 HB2 ALA A 62 -7.066 -6.818 1.154 1.00 0.89 H new ATOM 0 HB3 ALA A 62 -7.359 -5.102 1.526 1.00 0.89 H new ATOM 1025 N SER A 63 -9.905 -3.879 0.985 1.00 0.87 N ATOM 1026 CA SER A 63 -10.796 -2.856 1.530 1.00 1.05 C ATOM 1027 C SER A 63 -12.102 -2.748 0.741 1.00 1.16 C ATOM 1028 O SER A 63 -13.139 -2.387 1.295 1.00 1.33 O ATOM 1029 CB SER A 63 -10.079 -1.501 1.545 1.00 1.09 C ATOM 1030 OG SER A 63 -10.938 -0.467 1.989 1.00 1.62 O ATOM 0 H SER A 63 -9.137 -3.509 0.425 1.00 0.87 H new ATOM 0 HA SER A 63 -11.054 -3.151 2.547 1.00 1.05 H new ATOM 0 HB2 SER A 63 -9.207 -1.556 2.196 1.00 1.09 H new ATOM 0 HB3 SER A 63 -9.715 -1.269 0.544 1.00 1.09 H new ATOM 0 HG SER A 63 -11.126 -0.585 2.943 1.00 1.62 H new ATOM 1036 N VAL A 64 -12.058 -3.082 -0.540 1.00 1.16 N ATOM 1037 CA VAL A 64 -13.216 -2.913 -1.409 1.00 1.42 C ATOM 1038 C VAL A 64 -14.213 -4.050 -1.198 1.00 1.62 C ATOM 1039 O VAL A 64 -15.358 -3.983 -1.646 1.00 2.02 O ATOM 1040 CB VAL A 64 -12.811 -2.840 -2.903 1.00 1.62 C ATOM 1041 CG1 VAL A 64 -12.422 -4.210 -3.441 1.00 2.28 C ATOM 1042 CG2 VAL A 64 -13.923 -2.223 -3.739 1.00 1.92 C ATOM 0 H VAL A 64 -11.236 -3.471 -1.001 1.00 1.16 H new ATOM 0 HA VAL A 64 -13.685 -1.966 -1.142 1.00 1.42 H new ATOM 0 HB VAL A 64 -11.935 -2.196 -2.976 1.00 1.62 H new ATOM 0 HG11 VAL A 64 -12.144 -4.123 -4.491 1.00 2.28 H new ATOM 0 HG12 VAL A 64 -11.577 -4.598 -2.872 1.00 2.28 H new ATOM 0 HG13 VAL A 64 -13.267 -4.892 -3.345 1.00 2.28 H new ATOM 0 HG21 VAL A 64 -13.614 -2.183 -4.783 1.00 1.92 H new ATOM 0 HG22 VAL A 64 -14.824 -2.830 -3.650 1.00 1.92 H new ATOM 0 HG23 VAL A 64 -14.129 -1.214 -3.383 1.00 1.92 H new ATOM 1052 N ASN A 65 -13.774 -5.095 -0.506 1.00 1.47 N ATOM 1053 CA ASN A 65 -14.607 -6.267 -0.285 1.00 1.91 C ATOM 1054 C ASN A 65 -14.985 -6.378 1.193 1.00 2.22 C ATOM 1055 O ASN A 65 -15.591 -7.359 1.627 1.00 2.76 O ATOM 1056 CB ASN A 65 -13.866 -7.526 -0.750 1.00 2.02 C ATOM 1057 CG ASN A 65 -14.759 -8.752 -0.822 1.00 2.25 C ATOM 1058 OD1 ASN A 65 -16.020 -8.560 -1.186 1.00 2.57 O flip ATOM 1059 ND2 ASN A 65 -14.310 -9.869 -0.569 1.00 2.81 N flip ATOM 0 H ASN A 65 -12.845 -5.153 -0.089 1.00 1.47 H new ATOM 0 HA ASN A 65 -15.525 -6.167 -0.865 1.00 1.91 H new ATOM 0 HB2 ASN A 65 -13.432 -7.342 -1.733 1.00 2.02 H new ATOM 0 HB3 ASN A 65 -13.039 -7.726 -0.068 1.00 2.02 H new ATOM 0 HD21 ASN A 65 -13.334 -9.976 -0.292 1.00 2.81 H new ATOM 0 HD22 ASN A 65 -14.914 -10.688 -0.636 1.00 2.81 H new ATOM 1066 N LEU A 66 -14.637 -5.355 1.961 1.00 2.12 N ATOM 1067 CA LEU A 66 -14.933 -5.333 3.387 1.00 2.57 C ATOM 1068 C LEU A 66 -16.269 -4.640 3.630 1.00 2.43 C ATOM 1069 O LEU A 66 -17.209 -4.799 2.850 1.00 2.52 O ATOM 1070 CB LEU A 66 -13.828 -4.600 4.142 1.00 3.02 C ATOM 1071 CG LEU A 66 -13.205 -5.358 5.322 1.00 3.90 C ATOM 1072 CD1 LEU A 66 -14.228 -5.600 6.422 1.00 4.41 C ATOM 1073 CD2 LEU A 66 -12.608 -6.674 4.857 1.00 4.83 C ATOM 0 H LEU A 66 -14.148 -4.527 1.620 1.00 2.12 H new ATOM 0 HA LEU A 66 -14.990 -6.359 3.749 1.00 2.57 H new ATOM 0 HB2 LEU A 66 -13.036 -4.351 3.436 1.00 3.02 H new ATOM 0 HB3 LEU A 66 -14.231 -3.658 4.513 1.00 3.02 H new ATOM 0 HG LEU A 66 -12.407 -4.739 5.732 1.00 3.90 H new ATOM 0 HD11 LEU A 66 -13.757 -6.139 7.244 1.00 4.41 H new ATOM 0 HD12 LEU A 66 -14.606 -4.644 6.784 1.00 4.41 H new ATOM 0 HD13 LEU A 66 -15.054 -6.191 6.027 1.00 4.41 H new ATOM 0 HD21 LEU A 66 -12.171 -7.196 5.708 1.00 4.83 H new ATOM 0 HD22 LEU A 66 -13.389 -7.292 4.414 1.00 4.83 H new ATOM 0 HD23 LEU A 66 -11.834 -6.480 4.114 1.00 4.83 H new ATOM 1085 N SER A 67 -16.346 -3.860 4.702 1.00 2.60 N ATOM 1086 CA SER A 67 -17.571 -3.171 5.045 1.00 2.69 C ATOM 1087 C SER A 67 -17.284 -1.728 5.458 1.00 3.00 C ATOM 1088 O SER A 67 -16.127 -1.347 5.653 1.00 3.60 O ATOM 1089 CB SER A 67 -18.314 -3.923 6.150 1.00 3.13 C ATOM 1090 OG SER A 67 -19.599 -3.363 6.384 1.00 3.43 O ATOM 0 H SER A 67 -15.572 -3.693 5.344 1.00 2.60 H new ATOM 0 HA SER A 67 -18.211 -3.143 4.163 1.00 2.69 H new ATOM 0 HB2 SER A 67 -18.418 -4.972 5.872 1.00 3.13 H new ATOM 0 HB3 SER A 67 -17.729 -3.893 7.069 1.00 3.13 H new ATOM 0 HG SER A 67 -20.050 -3.866 7.094 1.00 3.43 H new ATOM 1096 N ARG A 68 -18.362 -0.944 5.593 1.00 3.23 N ATOM 1097 CA ARG A 68 -18.300 0.502 5.835 1.00 4.15 C ATOM 1098 C ARG A 68 -17.836 1.221 4.567 1.00 4.43 C ATOM 1099 O ARG A 68 -17.573 2.425 4.569 1.00 5.09 O ATOM 1100 CB ARG A 68 -17.389 0.845 7.023 1.00 4.70 C ATOM 1101 CG ARG A 68 -17.575 2.261 7.550 1.00 5.13 C ATOM 1102 CD ARG A 68 -16.573 2.588 8.644 1.00 5.91 C ATOM 1103 NE ARG A 68 -16.696 1.699 9.799 1.00 6.09 N ATOM 1104 CZ ARG A 68 -15.738 1.527 10.710 1.00 6.76 C ATOM 1105 NH1 ARG A 68 -14.603 2.213 10.633 1.00 7.28 N ATOM 1106 NH2 ARG A 68 -15.923 0.687 11.714 1.00 7.21 N ATOM 0 H ARG A 68 -19.315 -1.303 5.536 1.00 3.23 H new ATOM 0 HA ARG A 68 -19.302 0.845 6.093 1.00 4.15 H new ATOM 0 HB2 ARG A 68 -17.579 0.139 7.831 1.00 4.70 H new ATOM 0 HB3 ARG A 68 -16.350 0.713 6.722 1.00 4.70 H new ATOM 0 HG2 ARG A 68 -17.465 2.972 6.731 1.00 5.13 H new ATOM 0 HG3 ARG A 68 -18.587 2.375 7.937 1.00 5.13 H new ATOM 0 HD2 ARG A 68 -15.563 2.517 8.240 1.00 5.91 H new ATOM 0 HD3 ARG A 68 -16.715 3.619 8.966 1.00 5.91 H new ATOM 0 HE ARG A 68 -17.566 1.180 9.914 1.00 6.09 H new ATOM 0 HH11 ARG A 68 -14.459 2.877 9.873 1.00 7.28 H new ATOM 0 HH12 ARG A 68 -13.875 2.075 11.334 1.00 7.28 H new ATOM 0 HH21 ARG A 68 -16.799 0.170 11.792 1.00 7.21 H new ATOM 0 HH22 ARG A 68 -15.190 0.556 12.411 1.00 7.21 H new ATOM 1120 N LEU A 69 -17.760 0.465 3.478 1.00 4.41 N ATOM 1121 CA LEU A 69 -17.368 1.005 2.188 1.00 5.12 C ATOM 1122 C LEU A 69 -18.481 1.886 1.628 1.00 5.24 C ATOM 1123 O LEU A 69 -19.656 1.510 1.650 1.00 5.57 O ATOM 1124 CB LEU A 69 -17.025 -0.121 1.193 1.00 5.89 C ATOM 1125 CG LEU A 69 -18.198 -0.987 0.698 1.00 6.30 C ATOM 1126 CD1 LEU A 69 -17.749 -1.873 -0.453 1.00 6.57 C ATOM 1127 CD2 LEU A 69 -18.769 -1.850 1.816 1.00 6.76 C ATOM 0 H LEU A 69 -17.968 -0.534 3.467 1.00 4.41 H new ATOM 0 HA LEU A 69 -16.473 1.610 2.331 1.00 5.12 H new ATOM 0 HB2 LEU A 69 -16.543 0.328 0.324 1.00 5.89 H new ATOM 0 HB3 LEU A 69 -16.291 -0.777 1.661 1.00 5.89 H new ATOM 0 HG LEU A 69 -18.982 -0.312 0.355 1.00 6.30 H new ATOM 0 HD11 LEU A 69 -18.588 -2.480 -0.794 1.00 6.57 H new ATOM 0 HD12 LEU A 69 -17.395 -1.250 -1.275 1.00 6.57 H new ATOM 0 HD13 LEU A 69 -16.942 -2.525 -0.117 1.00 6.57 H new ATOM 0 HD21 LEU A 69 -19.595 -2.447 1.429 1.00 6.76 H new ATOM 0 HD22 LEU A 69 -17.991 -2.511 2.199 1.00 6.76 H new ATOM 0 HD23 LEU A 69 -19.130 -1.210 2.621 1.00 6.76 H new ATOM 1139 N PRO A 70 -18.128 3.075 1.123 1.00 5.35 N ATOM 1140 CA PRO A 70 -19.101 4.032 0.595 1.00 5.82 C ATOM 1141 C PRO A 70 -19.631 3.644 -0.774 1.00 6.63 C ATOM 1142 O PRO A 70 -19.726 4.474 -1.677 1.00 7.43 O ATOM 1143 CB PRO A 70 -18.304 5.332 0.521 1.00 5.83 C ATOM 1144 CG PRO A 70 -16.893 4.901 0.321 1.00 5.69 C ATOM 1145 CD PRO A 70 -16.747 3.588 1.044 1.00 5.45 C ATOM 0 HA PRO A 70 -19.991 4.094 1.221 1.00 5.82 H new ATOM 0 HB2 PRO A 70 -18.646 5.960 -0.302 1.00 5.83 H new ATOM 0 HB3 PRO A 70 -18.414 5.916 1.435 1.00 5.83 H new ATOM 0 HG2 PRO A 70 -16.667 4.788 -0.739 1.00 5.69 H new ATOM 0 HG3 PRO A 70 -16.200 5.643 0.718 1.00 5.69 H new ATOM 0 HD2 PRO A 70 -16.096 2.903 0.501 1.00 5.45 H new ATOM 0 HD3 PRO A 70 -16.313 3.723 2.035 1.00 5.45 H new ATOM 1153 N TYR A 71 -20.006 2.384 -0.916 1.00 6.65 N ATOM 1154 CA TYR A 71 -20.401 1.865 -2.208 1.00 7.46 C ATOM 1155 C TYR A 71 -21.909 1.719 -2.302 1.00 8.55 C ATOM 1156 O TYR A 71 -22.521 2.087 -3.305 1.00 9.18 O ATOM 1157 CB TYR A 71 -19.687 0.560 -2.489 1.00 7.27 C ATOM 1158 CG TYR A 71 -18.257 0.827 -2.852 1.00 6.63 C ATOM 1159 CD1 TYR A 71 -17.508 1.799 -2.213 1.00 6.66 C ATOM 1160 CD2 TYR A 71 -17.641 0.043 -3.814 1.00 6.21 C ATOM 1161 CE1 TYR A 71 -16.179 1.985 -2.531 1.00 6.41 C ATOM 1162 CE2 TYR A 71 -16.330 0.221 -4.139 1.00 5.87 C ATOM 1163 CZ TYR A 71 -15.653 1.451 -3.546 1.00 6.06 C ATOM 1164 OH TYR A 71 -14.265 1.367 -3.813 1.00 6.08 O ATOM 0 H TYR A 71 -20.044 1.707 -0.154 1.00 6.65 H new ATOM 0 HA TYR A 71 -20.105 2.579 -2.976 1.00 7.46 H new ATOM 0 HB2 TYR A 71 -19.734 -0.086 -1.612 1.00 7.27 H new ATOM 0 HB3 TYR A 71 -20.185 0.031 -3.302 1.00 7.27 H new ATOM 0 HD1 TYR A 71 -17.969 2.418 -1.458 1.00 6.66 H new ATOM 0 HD2 TYR A 71 -18.211 -0.724 -4.316 1.00 6.21 H new ATOM 0 HE1 TYR A 71 -15.570 2.607 -1.892 1.00 6.41 H new ATOM 0 HE2 TYR A 71 -15.801 -0.469 -4.780 1.00 5.87 H new ATOM 0 HH TYR A 71 -14.123 0.904 -4.665 1.00 6.08 H new ATOM 1174 N GLU A 72 -22.504 1.199 -1.236 1.00 8.95 N ATOM 1175 CA GLU A 72 -23.932 1.115 -1.110 1.00 10.13 C ATOM 1176 C GLU A 72 -24.291 1.426 0.331 1.00 10.64 C ATOM 1177 O GLU A 72 -24.711 0.547 1.086 1.00 10.85 O ATOM 1178 CB GLU A 72 -24.469 -0.265 -1.508 1.00 10.46 C ATOM 1179 CG GLU A 72 -24.127 -0.680 -2.931 1.00 10.20 C ATOM 1180 CD GLU A 72 -24.900 -1.898 -3.384 1.00 10.73 C ATOM 1181 OE1 GLU A 72 -24.571 -3.019 -2.948 1.00 11.11 O ATOM 1182 OE2 GLU A 72 -25.852 -1.737 -4.180 1.00 10.91 O ATOM 0 H GLU A 72 -21.995 0.824 -0.435 1.00 8.95 H new ATOM 0 HA GLU A 72 -24.392 1.833 -1.789 1.00 10.13 H new ATOM 0 HB2 GLU A 72 -24.071 -1.010 -0.819 1.00 10.46 H new ATOM 0 HB3 GLU A 72 -25.553 -0.269 -1.391 1.00 10.46 H new ATOM 0 HG2 GLU A 72 -24.335 0.149 -3.607 1.00 10.20 H new ATOM 0 HG3 GLU A 72 -23.059 -0.887 -2.998 1.00 10.20 H new ATOM 1189 N PRO A 73 -24.081 2.676 0.747 1.00 10.97 N ATOM 1190 CA PRO A 73 -24.224 3.073 2.125 1.00 11.48 C ATOM 1191 C PRO A 73 -25.576 3.717 2.418 1.00 12.73 C ATOM 1192 O PRO A 73 -26.505 3.643 1.609 1.00 13.36 O ATOM 1193 CB PRO A 73 -23.101 4.098 2.262 1.00 11.60 C ATOM 1194 CG PRO A 73 -22.986 4.738 0.908 1.00 11.26 C ATOM 1195 CD PRO A 73 -23.669 3.816 -0.083 1.00 11.09 C ATOM 0 HA PRO A 73 -24.171 2.233 2.818 1.00 11.48 H new ATOM 0 HB2 PRO A 73 -23.334 4.837 3.029 1.00 11.60 H new ATOM 0 HB3 PRO A 73 -22.165 3.621 2.553 1.00 11.60 H new ATOM 0 HG2 PRO A 73 -23.456 5.721 0.906 1.00 11.26 H new ATOM 0 HG3 PRO A 73 -21.940 4.885 0.639 1.00 11.26 H new ATOM 0 HD2 PRO A 73 -24.524 4.298 -0.558 1.00 11.09 H new ATOM 0 HD3 PRO A 73 -22.992 3.510 -0.880 1.00 11.09 H new ATOM 1203 N LYS A 74 -25.677 4.344 3.578 1.00 13.19 N ATOM 1204 CA LYS A 74 -26.839 5.151 3.906 1.00 14.42 C ATOM 1205 C LYS A 74 -26.504 6.611 3.646 1.00 15.05 C ATOM 1206 O LYS A 74 -25.562 7.145 4.233 1.00 15.59 O ATOM 1207 CB LYS A 74 -27.263 4.960 5.368 1.00 14.96 C ATOM 1208 CG LYS A 74 -27.993 3.652 5.652 1.00 14.87 C ATOM 1209 CD LYS A 74 -27.073 2.443 5.578 1.00 14.36 C ATOM 1210 CE LYS A 74 -27.814 1.164 5.928 1.00 14.77 C ATOM 1211 NZ LYS A 74 -26.913 -0.016 5.920 1.00 14.90 N ATOM 0 H LYS A 74 -24.967 4.309 4.309 1.00 13.19 H new ATOM 0 HA LYS A 74 -27.675 4.836 3.281 1.00 14.42 H new ATOM 0 HB2 LYS A 74 -26.376 5.010 5.999 1.00 14.96 H new ATOM 0 HB3 LYS A 74 -27.907 5.790 5.657 1.00 14.96 H new ATOM 0 HG2 LYS A 74 -28.445 3.700 6.642 1.00 14.87 H new ATOM 0 HG3 LYS A 74 -28.806 3.530 4.936 1.00 14.87 H new ATOM 0 HD2 LYS A 74 -26.656 2.361 4.574 1.00 14.36 H new ATOM 0 HD3 LYS A 74 -26.235 2.579 6.261 1.00 14.36 H new ATOM 0 HE2 LYS A 74 -28.270 1.266 6.913 1.00 14.77 H new ATOM 0 HE3 LYS A 74 -28.624 1.007 5.216 1.00 14.77 H new ATOM 0 HZ1 LYS A 74 -27.456 -0.869 6.164 1.00 14.90 H new ATOM 0 HZ2 LYS A 74 -26.497 -0.129 4.973 1.00 14.90 H new ATOM 0 HZ3 LYS A 74 -26.154 0.122 6.617 1.00 14.90 H new ATOM 1225 N LEU A 75 -27.249 7.234 2.742 1.00 15.08 N ATOM 1226 CA LEU A 75 -26.997 8.603 2.350 1.00 15.74 C ATOM 1227 C LEU A 75 -26.960 9.543 3.550 1.00 16.36 C ATOM 1228 O LEU A 75 -27.809 9.469 4.443 1.00 16.30 O ATOM 1229 CB LEU A 75 -28.038 9.087 1.335 1.00 15.82 C ATOM 1230 CG LEU A 75 -27.864 8.569 -0.102 1.00 15.52 C ATOM 1231 CD1 LEU A 75 -26.477 8.907 -0.625 1.00 15.45 C ATOM 1232 CD2 LEU A 75 -28.119 7.069 -0.189 1.00 15.82 C ATOM 0 H LEU A 75 -28.040 6.802 2.265 1.00 15.08 H new ATOM 0 HA LEU A 75 -26.013 8.620 1.881 1.00 15.74 H new ATOM 0 HB2 LEU A 75 -29.026 8.794 1.689 1.00 15.82 H new ATOM 0 HB3 LEU A 75 -28.017 10.177 1.313 1.00 15.82 H new ATOM 0 HG LEU A 75 -28.605 9.067 -0.728 1.00 15.52 H new ATOM 0 HD11 LEU A 75 -26.371 8.533 -1.643 1.00 15.45 H new ATOM 0 HD12 LEU A 75 -26.340 9.988 -0.619 1.00 15.45 H new ATOM 0 HD13 LEU A 75 -25.725 8.442 0.012 1.00 15.45 H new ATOM 0 HD21 LEU A 75 -27.987 6.737 -1.219 1.00 15.82 H new ATOM 0 HD22 LEU A 75 -27.415 6.542 0.455 1.00 15.82 H new ATOM 0 HD23 LEU A 75 -29.137 6.854 0.134 1.00 15.82 H new ATOM 1244 N LYS A 76 -25.964 10.420 3.560 1.00 17.07 N ATOM 1245 CA LYS A 76 -25.786 11.383 4.639 1.00 17.84 C ATOM 1246 C LYS A 76 -26.720 12.568 4.450 1.00 18.51 C ATOM 1247 O LYS A 76 -26.434 13.415 3.576 1.00 19.00 O ATOM 1248 CB LYS A 76 -24.336 11.873 4.686 1.00 17.87 C ATOM 1249 CG LYS A 76 -23.325 10.800 5.062 1.00 17.48 C ATOM 1250 CD LYS A 76 -21.903 11.312 4.908 1.00 17.59 C ATOM 1251 CE LYS A 76 -21.657 12.542 5.765 1.00 17.97 C ATOM 1252 NZ LYS A 76 -20.396 13.231 5.394 1.00 18.40 N ATOM 1253 OXT LYS A 76 -27.727 12.659 5.184 1.00 18.64 O ATOM 0 H LYS A 76 -25.260 10.484 2.824 1.00 17.07 H new ATOM 0 HA LYS A 76 -26.024 10.888 5.581 1.00 17.84 H new ATOM 0 HB2 LYS A 76 -24.070 12.280 3.710 1.00 17.87 H new ATOM 0 HB3 LYS A 76 -24.264 12.691 5.403 1.00 17.87 H new ATOM 0 HG2 LYS A 76 -23.492 10.484 6.092 1.00 17.48 H new ATOM 0 HG3 LYS A 76 -23.469 9.923 4.432 1.00 17.48 H new ATOM 0 HD2 LYS A 76 -21.200 10.527 5.187 1.00 17.59 H new ATOM 0 HD3 LYS A 76 -21.713 11.552 3.862 1.00 17.59 H new ATOM 0 HE2 LYS A 76 -22.493 13.233 5.658 1.00 17.97 H new ATOM 0 HE3 LYS A 76 -21.617 12.251 6.815 1.00 17.97 H new ATOM 0 HZ1 LYS A 76 -20.264 14.065 6.001 1.00 18.40 H new ATOM 0 HZ2 LYS A 76 -19.595 12.580 5.521 1.00 18.40 H new ATOM 0 HZ3 LYS A 76 -20.444 13.531 4.400 1.00 18.40 H new TER 1267 LYS A 76