USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 733 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 38 THR OG1 : rot -120:sc= -0.321 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 133:sc= -0.343 (180deg=-2.89!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ -102:sc= -0.285 (180deg=-2.43!) USER MOD Set 2.2: A 18 ASN : amide:sc= -1.95! C(o=-2.2!,f=-3.2!) USER MOD Set 3.1: A 9 SER OG : rot 177:sc= 0.721 USER MOD Set 3.2: A 25 SER OG : rot -110:sc= 0.625 USER MOD Set 4.1: A 1 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 2 ASN : amide:sc= -1.79! K(o=-1.8!,f=0.042) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 51:sc= 0.232 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -105:sc= -5.94! (180deg=-7.59!) USER MOD Single : A 6 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 8 LYS NZ :NH3+ -144:sc= -0.271 (180deg=-1.18!) USER MOD Single : A 11 THR OG1 : rot -95:sc= 0.602 USER MOD Single : A 17 LYS NZ :NH3+ -111:sc= 1.27 (180deg=0.492) USER MOD Single : A 21 MET CE :methyl -165:sc= -1.09 (180deg=-1.84) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0.366 K(o=0.37,f=-3.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -78:sc= 1.08 USER MOD Single : A 36 SER OG : rot 180:sc=-0.00685 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= -1.73 (180deg=-3.4!) USER MOD Single : A 84 SER OG : rot 95:sc= 1.26 USER MOD Single : A 86 TYR OH : rot 172:sc= -1.69 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.231 -12.155 -4.257 1.00 5.27 N ATOM 2 CA SER A 1 10.996 -12.811 -5.570 1.00 4.57 C ATOM 3 C SER A 1 10.301 -11.860 -6.539 1.00 3.87 C ATOM 4 O SER A 1 10.869 -11.476 -7.561 1.00 4.07 O ATOM 5 CB SER A 1 10.148 -14.072 -5.387 1.00 4.91 C ATOM 6 OG SER A 1 9.900 -14.706 -6.630 1.00 5.15 O ATOM 0 H1 SER A 1 11.705 -12.822 -3.615 1.00 5.27 H new ATOM 0 H2 SER A 1 11.832 -11.317 -4.390 1.00 5.27 H new ATOM 0 H3 SER A 1 10.321 -11.866 -3.845 1.00 5.27 H new ATOM 0 HA SER A 1 11.965 -13.085 -5.988 1.00 4.57 H new ATOM 0 HB2 SER A 1 10.660 -14.764 -4.718 1.00 4.91 H new ATOM 0 HB3 SER A 1 9.202 -13.812 -4.913 1.00 4.91 H new ATOM 0 HG SER A 1 9.358 -15.509 -6.485 1.00 5.15 H new ATOM 14 N ASN A 2 9.067 -11.484 -6.210 1.00 3.40 N ATOM 15 CA ASN A 2 8.294 -10.581 -7.056 1.00 2.96 C ATOM 16 C ASN A 2 7.494 -9.594 -6.210 1.00 2.16 C ATOM 17 O ASN A 2 7.594 -9.587 -4.984 1.00 2.43 O ATOM 18 CB ASN A 2 7.349 -11.378 -7.958 1.00 3.50 C ATOM 19 CG ASN A 2 6.285 -12.119 -7.171 1.00 3.39 C ATOM 20 OD1 ASN A 2 6.485 -13.260 -6.754 1.00 3.86 O ATOM 21 ND2 ASN A 2 5.141 -11.473 -6.968 1.00 3.25 N ATOM 0 H ASN A 2 8.583 -11.790 -5.366 1.00 3.40 H new ATOM 0 HA ASN A 2 8.991 -10.019 -7.677 1.00 2.96 H new ATOM 0 HB2 ASN A 2 6.869 -10.701 -8.665 1.00 3.50 H new ATOM 0 HB3 ASN A 2 7.927 -12.093 -8.544 1.00 3.50 H new ATOM 0 HD21 ASN A 2 4.387 -11.922 -6.449 1.00 3.25 H new ATOM 0 HD22 ASN A 2 5.018 -10.528 -7.331 1.00 3.25 H new ATOM 28 N SER A 3 6.702 -8.762 -6.879 1.00 1.75 N ATOM 29 CA SER A 3 5.880 -7.769 -6.196 1.00 1.09 C ATOM 30 C SER A 3 4.612 -7.477 -6.994 1.00 0.88 C ATOM 31 O SER A 3 4.476 -6.411 -7.597 1.00 1.68 O ATOM 32 CB SER A 3 6.673 -6.478 -5.981 1.00 1.05 C ATOM 33 OG SER A 3 7.124 -5.944 -7.214 1.00 1.79 O ATOM 0 H SER A 3 6.612 -8.756 -7.895 1.00 1.75 H new ATOM 0 HA SER A 3 5.594 -8.173 -5.225 1.00 1.09 H new ATOM 0 HB2 SER A 3 6.048 -5.745 -5.471 1.00 1.05 H new ATOM 0 HB3 SER A 3 7.527 -6.676 -5.333 1.00 1.05 H new ATOM 0 HG SER A 3 6.371 -5.881 -7.838 1.00 1.79 H new ATOM 39 N SER A 4 3.687 -8.432 -6.994 1.00 0.65 N ATOM 40 CA SER A 4 2.432 -8.281 -7.720 1.00 0.69 C ATOM 41 C SER A 4 1.397 -7.551 -6.874 1.00 0.84 C ATOM 42 O SER A 4 1.182 -7.887 -5.709 1.00 1.84 O ATOM 43 CB SER A 4 1.887 -9.647 -8.134 1.00 1.16 C ATOM 44 OG SER A 4 0.757 -9.511 -8.979 1.00 1.99 O ATOM 0 H SER A 4 3.784 -9.319 -6.499 1.00 0.65 H new ATOM 0 HA SER A 4 2.632 -7.689 -8.613 1.00 0.69 H new ATOM 0 HB2 SER A 4 2.664 -10.211 -8.649 1.00 1.16 H new ATOM 0 HB3 SER A 4 1.614 -10.218 -7.246 1.00 1.16 H new ATOM 0 HG SER A 4 0.428 -10.399 -9.231 1.00 1.99 H new ATOM 50 N MET A 5 0.757 -6.552 -7.469 1.00 0.47 N ATOM 51 CA MET A 5 -0.261 -5.778 -6.775 1.00 0.38 C ATOM 52 C MET A 5 -1.614 -6.480 -6.841 1.00 0.54 C ATOM 53 O MET A 5 -2.245 -6.523 -7.894 1.00 1.22 O ATOM 54 CB MET A 5 -0.370 -4.381 -7.377 1.00 0.40 C ATOM 55 CG MET A 5 0.644 -3.409 -6.808 1.00 0.34 C ATOM 56 SD MET A 5 2.341 -3.941 -7.085 1.00 0.56 S ATOM 57 CE MET A 5 3.226 -2.647 -6.227 1.00 0.37 C ATOM 0 H MET A 5 0.926 -6.260 -8.431 1.00 0.47 H new ATOM 0 HA MET A 5 0.035 -5.691 -5.729 1.00 0.38 H new ATOM 0 HB2 MET A 5 -0.237 -4.446 -8.457 1.00 0.40 H new ATOM 0 HB3 MET A 5 -1.374 -3.994 -7.202 1.00 0.40 H new ATOM 0 HG2 MET A 5 0.496 -2.428 -7.260 1.00 0.34 H new ATOM 0 HG3 MET A 5 0.473 -3.295 -5.738 1.00 0.34 H new ATOM 0 HE1 MET A 5 3.668 -1.965 -6.953 1.00 0.37 H new ATOM 0 HE2 MET A 5 2.536 -2.098 -5.586 1.00 0.37 H new ATOM 0 HE3 MET A 5 4.015 -3.088 -5.617 1.00 0.37 H new ATOM 67 N ASN A 6 -2.045 -7.035 -5.712 1.00 0.27 N ATOM 68 CA ASN A 6 -3.325 -7.738 -5.633 1.00 0.24 C ATOM 69 C ASN A 6 -4.457 -6.779 -5.253 1.00 0.24 C ATOM 70 O ASN A 6 -4.600 -6.428 -4.085 1.00 0.25 O ATOM 71 CB ASN A 6 -3.233 -8.862 -4.599 1.00 0.28 C ATOM 72 CG ASN A 6 -2.058 -9.785 -4.855 1.00 0.92 C ATOM 73 OD1 ASN A 6 -0.962 -9.571 -4.338 1.00 1.72 O ATOM 74 ND2 ASN A 6 -2.278 -10.819 -5.661 1.00 0.87 N ATOM 0 H ASN A 6 -1.525 -7.012 -4.835 1.00 0.27 H new ATOM 0 HA ASN A 6 -3.546 -8.158 -6.614 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.142 -8.429 -3.603 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -4.156 -9.441 -4.612 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -1.523 -11.471 -5.871 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -3.202 -10.960 -6.069 1.00 0.87 H new ATOM 81 N PRO A 7 -5.299 -6.362 -6.224 1.00 0.25 N ATOM 82 CA PRO A 7 -6.407 -5.428 -5.961 1.00 0.26 C ATOM 83 C PRO A 7 -7.399 -5.973 -4.943 1.00 0.26 C ATOM 84 O PRO A 7 -8.303 -5.264 -4.507 1.00 0.26 O ATOM 85 CB PRO A 7 -7.077 -5.255 -7.328 1.00 0.28 C ATOM 86 CG PRO A 7 -6.063 -5.709 -8.321 1.00 0.43 C ATOM 87 CD PRO A 7 -5.265 -6.777 -7.636 1.00 0.29 C ATOM 0 HA PRO A 7 -6.049 -4.492 -5.533 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -7.989 -5.848 -7.397 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -7.359 -4.216 -7.500 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -6.543 -6.096 -9.220 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -5.424 -4.883 -8.632 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -5.706 -7.764 -7.777 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.245 -6.826 -8.018 1.00 0.29 H new ATOM 95 N LYS A 8 -7.243 -7.237 -4.576 1.00 0.30 N ATOM 96 CA LYS A 8 -8.119 -7.841 -3.583 1.00 0.33 C ATOM 97 C LYS A 8 -7.688 -7.399 -2.194 1.00 0.27 C ATOM 98 O LYS A 8 -8.495 -6.916 -1.399 1.00 0.26 O ATOM 99 CB LYS A 8 -8.085 -9.369 -3.678 1.00 0.43 C ATOM 100 CG LYS A 8 -8.682 -9.923 -4.962 1.00 0.77 C ATOM 101 CD LYS A 8 -7.648 -9.996 -6.075 1.00 0.59 C ATOM 102 CE LYS A 8 -7.953 -9.010 -7.190 1.00 0.73 C ATOM 103 NZ LYS A 8 -9.347 -9.156 -7.694 1.00 1.39 N ATOM 0 H LYS A 8 -6.525 -7.859 -4.947 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.141 -7.512 -3.774 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -7.051 -9.705 -3.596 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -8.625 -9.788 -2.828 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -9.088 -10.917 -4.776 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -9.514 -9.294 -5.278 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -6.659 -9.789 -5.667 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -7.621 -11.007 -6.481 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -7.803 -7.993 -6.827 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -7.252 -9.162 -8.011 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -9.364 -8.989 -8.720 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -9.689 -10.117 -7.494 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -9.962 -8.464 -7.220 1.00 1.39 H new ATOM 117 N SER A 9 -6.404 -7.574 -1.916 1.00 0.26 N ATOM 118 CA SER A 9 -5.832 -7.191 -0.635 1.00 0.26 C ATOM 119 C SER A 9 -5.616 -5.684 -0.560 1.00 0.19 C ATOM 120 O SER A 9 -5.664 -5.094 0.519 1.00 0.23 O ATOM 121 CB SER A 9 -4.509 -7.927 -0.414 1.00 0.33 C ATOM 122 OG SER A 9 -4.732 -9.256 0.024 1.00 0.71 O ATOM 0 H SER A 9 -5.734 -7.983 -2.568 1.00 0.26 H new ATOM 0 HA SER A 9 -6.533 -7.470 0.151 1.00 0.26 H new ATOM 0 HB2 SER A 9 -3.936 -7.938 -1.341 1.00 0.33 H new ATOM 0 HB3 SER A 9 -3.911 -7.393 0.324 1.00 0.33 H new ATOM 0 HG SER A 9 -3.874 -9.721 0.107 1.00 0.71 H new ATOM 128 N LEU A 10 -5.382 -5.067 -1.714 1.00 0.15 N ATOM 129 CA LEU A 10 -5.155 -3.630 -1.778 1.00 0.20 C ATOM 130 C LEU A 10 -6.436 -2.855 -1.514 1.00 0.19 C ATOM 131 O LEU A 10 -6.415 -1.631 -1.398 1.00 0.27 O ATOM 132 CB LEU A 10 -4.598 -3.237 -3.147 1.00 0.24 C ATOM 133 CG LEU A 10 -3.293 -3.919 -3.531 1.00 0.27 C ATOM 134 CD1 LEU A 10 -3.057 -3.824 -5.030 1.00 0.47 C ATOM 135 CD2 LEU A 10 -2.148 -3.287 -2.771 1.00 0.50 C ATOM 0 H LEU A 10 -5.345 -5.541 -2.617 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.430 -3.379 -1.004 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -5.346 -3.465 -3.906 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -4.445 -2.158 -3.164 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.355 -4.975 -3.268 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -2.119 -4.318 -5.283 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -3.877 -4.310 -5.559 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -3.006 -2.776 -5.325 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.214 -3.776 -3.047 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -2.089 -2.227 -3.018 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.315 -3.402 -1.700 1.00 0.50 H new ATOM 147 N THR A 11 -7.556 -3.560 -1.416 1.00 0.14 N ATOM 148 CA THR A 11 -8.830 -2.895 -1.182 1.00 0.18 C ATOM 149 C THR A 11 -9.620 -3.562 -0.062 1.00 0.15 C ATOM 150 O THR A 11 -10.823 -3.340 0.077 1.00 0.18 O ATOM 151 CB THR A 11 -9.686 -2.865 -2.461 1.00 0.25 C ATOM 152 OG1 THR A 11 -10.290 -4.146 -2.675 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.839 -2.497 -3.676 1.00 0.35 C ATOM 0 H THR A 11 -7.609 -4.576 -1.493 1.00 0.14 H new ATOM 0 HA THR A 11 -8.597 -1.873 -0.882 1.00 0.18 H new ATOM 0 HB THR A 11 -10.461 -2.109 -2.332 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.735 -4.671 -3.289 1.00 0.31 H new ATOM 0 HG21 THR A 11 -9.467 -2.483 -4.567 1.00 0.35 H new ATOM 0 HG22 THR A 11 -8.398 -1.511 -3.527 1.00 0.35 H new ATOM 0 HG23 THR A 11 -8.046 -3.234 -3.803 1.00 0.35 H new ATOM 161 N ASP A 12 -8.939 -4.377 0.736 1.00 0.11 N ATOM 162 CA ASP A 12 -9.578 -5.059 1.849 1.00 0.12 C ATOM 163 C ASP A 12 -9.073 -4.464 3.157 1.00 0.11 C ATOM 164 O ASP A 12 -7.907 -4.647 3.506 1.00 0.10 O ATOM 165 CB ASP A 12 -9.289 -6.560 1.794 1.00 0.14 C ATOM 166 CG ASP A 12 -10.142 -7.351 2.767 1.00 0.24 C ATOM 167 OD1 ASP A 12 -11.382 -7.312 2.634 1.00 0.57 O ATOM 168 OD2 ASP A 12 -9.568 -8.010 3.659 1.00 0.51 O ATOM 0 H ASP A 12 -7.945 -4.580 0.631 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.658 -4.922 1.785 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.466 -6.924 0.782 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.236 -6.732 2.016 1.00 0.14 H new ATOM 173 N PRO A 13 -9.934 -3.738 3.897 1.00 0.11 N ATOM 174 CA PRO A 13 -9.546 -3.097 5.153 1.00 0.11 C ATOM 175 C PRO A 13 -8.711 -3.986 6.068 1.00 0.12 C ATOM 176 O PRO A 13 -8.030 -3.486 6.959 1.00 0.13 O ATOM 177 CB PRO A 13 -10.886 -2.769 5.801 1.00 0.12 C ATOM 178 CG PRO A 13 -11.774 -2.492 4.646 1.00 0.12 C ATOM 179 CD PRO A 13 -11.349 -3.460 3.569 1.00 0.11 C ATOM 0 HA PRO A 13 -8.906 -2.233 4.975 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.256 -3.601 6.400 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.810 -1.907 6.464 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.821 -2.636 4.913 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.670 -1.460 4.310 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -11.951 -4.368 3.585 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.453 -3.026 2.575 1.00 0.11 H new ATOM 187 N LYS A 14 -8.767 -5.298 5.867 1.00 0.13 N ATOM 188 CA LYS A 14 -7.982 -6.202 6.698 1.00 0.15 C ATOM 189 C LYS A 14 -6.501 -5.899 6.512 1.00 0.13 C ATOM 190 O LYS A 14 -5.760 -5.721 7.478 1.00 0.16 O ATOM 191 CB LYS A 14 -8.267 -7.665 6.352 1.00 0.18 C ATOM 192 CG LYS A 14 -8.337 -8.579 7.570 1.00 0.34 C ATOM 193 CD LYS A 14 -7.108 -8.442 8.462 1.00 0.60 C ATOM 194 CE LYS A 14 -5.859 -8.988 7.791 1.00 0.54 C ATOM 195 NZ LYS A 14 -4.649 -8.802 8.640 1.00 1.37 N ATOM 0 H LYS A 14 -9.335 -5.752 5.152 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.263 -6.047 7.740 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.211 -7.724 5.810 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.490 -8.029 5.680 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -9.231 -8.345 8.147 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.432 -9.614 7.241 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.956 -7.392 8.713 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -7.278 -8.972 9.399 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -5.995 -10.048 7.579 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -5.712 -8.487 6.834 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -4.098 -7.993 8.287 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -4.939 -8.621 9.622 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -4.064 -9.661 8.604 1.00 1.37 H new ATOM 209 N LEU A 15 -6.083 -5.842 5.251 1.00 0.09 N ATOM 210 CA LEU A 15 -4.706 -5.536 4.905 1.00 0.08 C ATOM 211 C LEU A 15 -4.432 -4.057 5.091 1.00 0.08 C ATOM 212 O LEU A 15 -3.435 -3.664 5.687 1.00 0.09 O ATOM 213 CB LEU A 15 -4.433 -5.900 3.444 1.00 0.08 C ATOM 214 CG LEU A 15 -4.435 -7.391 3.112 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.455 -8.118 4.008 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.832 -7.976 3.239 1.00 0.12 C ATOM 0 H LEU A 15 -6.689 -6.006 4.447 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.057 -6.117 5.560 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.182 -5.409 2.822 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.464 -5.487 3.163 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.121 -7.520 2.076 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.461 -9.181 3.767 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.454 -7.716 3.853 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.744 -7.981 5.050 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.805 -9.038 2.997 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.190 -7.845 4.260 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.505 -7.464 2.551 1.00 0.12 H new ATOM 228 N LEU A 16 -5.330 -3.248 4.560 1.00 0.10 N ATOM 229 CA LEU A 16 -5.209 -1.805 4.638 1.00 0.12 C ATOM 230 C LEU A 16 -4.950 -1.350 6.076 1.00 0.16 C ATOM 231 O LEU A 16 -4.042 -0.558 6.328 1.00 0.27 O ATOM 232 CB LEU A 16 -6.477 -1.167 4.070 1.00 0.10 C ATOM 233 CG LEU A 16 -6.949 -1.781 2.748 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.367 -1.340 2.423 1.00 0.10 C ATOM 235 CD2 LEU A 16 -5.998 -1.415 1.615 1.00 0.18 C ATOM 0 H LEU A 16 -6.161 -3.572 4.064 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.353 -1.482 4.046 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.276 -1.256 4.805 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.299 -0.102 3.920 1.00 0.10 H new ATOM 0 HG LEU A 16 -6.948 -2.865 2.858 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.680 -1.788 1.480 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.039 -1.661 3.219 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.399 -0.254 2.337 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.351 -1.861 0.685 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.961 -0.331 1.507 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -5.000 -1.791 1.842 1.00 0.18 H new ATOM 247 N LYS A 17 -5.749 -1.854 7.013 1.00 0.14 N ATOM 248 CA LYS A 17 -5.578 -1.519 8.423 1.00 0.17 C ATOM 249 C LYS A 17 -4.284 -2.125 8.954 1.00 0.18 C ATOM 250 O LYS A 17 -3.672 -1.603 9.885 1.00 0.22 O ATOM 251 CB LYS A 17 -6.757 -2.034 9.241 1.00 0.19 C ATOM 252 CG LYS A 17 -8.048 -1.300 8.963 1.00 0.20 C ATOM 253 CD LYS A 17 -9.205 -1.973 9.668 1.00 0.24 C ATOM 254 CE LYS A 17 -10.500 -1.231 9.439 1.00 0.31 C ATOM 255 NZ LYS A 17 -10.582 0.009 10.260 1.00 0.88 N ATOM 0 H LYS A 17 -6.519 -2.494 6.822 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.531 -0.434 8.514 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -6.899 -3.094 9.032 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.519 -1.947 10.301 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -7.964 -0.266 9.297 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.234 -1.275 7.889 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.304 -2.998 9.310 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -8.999 -2.027 10.737 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.590 -0.974 8.383 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -11.340 -1.883 9.681 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -11.310 -0.108 10.994 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -9.662 0.189 10.710 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -10.832 0.813 9.650 1.00 0.88 H new ATOM 269 N ASN A 18 -3.880 -3.234 8.343 1.00 0.14 N ATOM 270 CA ASN A 18 -2.662 -3.934 8.727 1.00 0.15 C ATOM 271 C ASN A 18 -1.644 -3.817 7.606 1.00 0.13 C ATOM 272 O ASN A 18 -1.337 -4.799 6.937 1.00 0.11 O ATOM 273 CB ASN A 18 -2.963 -5.414 8.997 1.00 0.16 C ATOM 274 CG ASN A 18 -2.048 -6.017 10.045 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.479 -5.306 10.873 1.00 0.50 O ATOM 276 ND2 ASN A 18 -1.916 -7.338 10.023 1.00 0.53 N ATOM 0 H ASN A 18 -4.386 -3.670 7.572 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.263 -3.486 9.637 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -3.998 -5.516 9.323 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.864 -5.976 8.068 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.324 -7.803 10.711 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.407 -7.888 9.318 1.00 0.53 H new ATOM 283 N ILE A 19 -1.137 -2.603 7.395 1.00 0.13 N ATOM 284 CA ILE A 19 -0.171 -2.347 6.331 1.00 0.12 C ATOM 285 C ILE A 19 0.851 -3.478 6.195 1.00 0.10 C ATOM 286 O ILE A 19 1.092 -3.949 5.086 1.00 0.09 O ATOM 287 CB ILE A 19 0.553 -0.999 6.516 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.397 0.165 6.212 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.781 -0.927 5.619 1.00 0.19 C ATOM 290 CD1 ILE A 19 -0.936 0.168 4.792 1.00 0.49 C ATOM 0 H ILE A 19 -1.380 -1.781 7.948 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.749 -2.299 5.408 1.00 0.12 H new ATOM 0 HB ILE A 19 0.877 -0.921 7.554 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.235 0.128 6.908 1.00 0.20 H new ATOM 0 HG13 ILE A 19 0.126 1.104 6.393 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.280 0.031 5.762 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.466 -1.735 5.875 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.477 -1.025 4.577 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.600 1.022 4.657 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.107 0.238 4.088 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.489 -0.754 4.611 1.00 0.49 H new ATOM 302 N PRO A 20 1.493 -3.919 7.296 1.00 0.12 N ATOM 303 CA PRO A 20 2.456 -5.020 7.231 1.00 0.12 C ATOM 304 C PRO A 20 1.894 -6.181 6.425 1.00 0.11 C ATOM 305 O PRO A 20 2.565 -6.761 5.572 1.00 0.14 O ATOM 306 CB PRO A 20 2.610 -5.422 8.692 1.00 0.14 C ATOM 307 CG PRO A 20 2.395 -4.157 9.442 1.00 0.15 C ATOM 308 CD PRO A 20 1.358 -3.387 8.667 1.00 0.14 C ATOM 0 HA PRO A 20 3.394 -4.741 6.751 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.881 -6.182 8.975 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.598 -5.839 8.889 1.00 0.14 H new ATOM 0 HG2 PRO A 20 2.054 -4.358 10.457 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.322 -3.590 9.524 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.356 -3.549 9.065 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.545 -2.314 8.702 1.00 0.14 H new ATOM 316 N MET A 21 0.640 -6.500 6.719 1.00 0.10 N ATOM 317 CA MET A 21 -0.082 -7.564 6.043 1.00 0.10 C ATOM 318 C MET A 21 -0.366 -7.152 4.598 1.00 0.08 C ATOM 319 O MET A 21 -0.237 -7.949 3.670 1.00 0.10 O ATOM 320 CB MET A 21 -1.381 -7.821 6.803 1.00 0.13 C ATOM 321 CG MET A 21 -1.853 -9.265 6.790 1.00 0.25 C ATOM 322 SD MET A 21 -1.223 -10.231 8.181 1.00 0.94 S ATOM 323 CE MET A 21 0.526 -10.313 7.804 1.00 0.54 C ATOM 0 H MET A 21 0.095 -6.024 7.437 1.00 0.10 H new ATOM 0 HA MET A 21 0.510 -8.479 6.023 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.248 -7.507 7.838 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.164 -7.194 6.378 1.00 0.13 H new ATOM 0 HG2 MET A 21 -2.943 -9.285 6.806 1.00 0.25 H new ATOM 0 HG3 MET A 21 -1.539 -9.735 5.858 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.994 -11.086 8.413 1.00 0.54 H new ATOM 0 HE2 MET A 21 0.660 -10.552 6.749 1.00 0.54 H new ATOM 0 HE3 MET A 21 0.990 -9.351 8.020 1.00 0.54 H new ATOM 333 N TRP A 22 -0.774 -5.897 4.432 1.00 0.06 N ATOM 334 CA TRP A 22 -1.044 -5.321 3.123 1.00 0.06 C ATOM 335 C TRP A 22 0.151 -5.526 2.203 1.00 0.06 C ATOM 336 O TRP A 22 0.002 -5.770 1.005 1.00 0.08 O ATOM 337 CB TRP A 22 -1.337 -3.830 3.309 1.00 0.07 C ATOM 338 CG TRP A 22 -1.714 -3.096 2.063 1.00 0.08 C ATOM 339 CD1 TRP A 22 -2.936 -3.084 1.457 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.867 -2.245 1.283 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.902 -2.278 0.345 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.642 -1.756 0.215 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.472 -1.850 1.381 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.126 -0.894 -0.746 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.984 -0.993 0.422 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.185 -0.525 -0.629 1.00 0.11 C ATOM 0 H TRP A 22 -0.926 -5.250 5.206 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.903 -5.810 2.664 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.144 -3.722 4.034 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.456 -3.354 3.740 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.803 -3.628 1.801 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.687 -2.098 -0.281 1.00 0.10 H new ATOM 0 HE3 TRP A 22 1.094 -2.207 2.189 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.739 -0.529 -1.556 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 2.016 -0.680 0.485 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.614 0.142 -1.363 1.00 0.11 H new ATOM 357 N LEU A 23 1.336 -5.426 2.787 1.00 0.06 N ATOM 358 CA LEU A 23 2.580 -5.614 2.064 1.00 0.08 C ATOM 359 C LEU A 23 2.838 -7.093 1.806 1.00 0.10 C ATOM 360 O LEU A 23 3.544 -7.446 0.867 1.00 0.13 O ATOM 361 CB LEU A 23 3.732 -5.025 2.869 1.00 0.09 C ATOM 362 CG LEU A 23 3.743 -3.502 2.969 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.768 -3.046 3.992 1.00 0.10 C ATOM 364 CD2 LEU A 23 4.029 -2.881 1.611 1.00 0.10 C ATOM 0 H LEU A 23 1.460 -5.212 3.777 1.00 0.06 H new ATOM 0 HA LEU A 23 2.504 -5.104 1.104 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.699 -5.439 3.877 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.671 -5.351 2.421 1.00 0.09 H new ATOM 0 HG LEU A 23 2.758 -3.169 3.297 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.763 -1.958 4.051 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.519 -3.464 4.968 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.758 -3.389 3.693 1.00 0.10 H new ATOM 0 HD21 LEU A 23 4.033 -1.795 1.701 1.00 0.10 H new ATOM 0 HD22 LEU A 23 5.002 -3.219 1.254 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.257 -3.183 0.903 1.00 0.10 H new ATOM 376 N LYS A 24 2.287 -7.957 2.659 1.00 0.10 N ATOM 377 CA LYS A 24 2.452 -9.388 2.492 1.00 0.13 C ATOM 378 C LYS A 24 1.990 -9.793 1.099 1.00 0.13 C ATOM 379 O LYS A 24 2.601 -10.641 0.449 1.00 0.16 O ATOM 380 CB LYS A 24 1.658 -10.145 3.559 1.00 0.17 C ATOM 381 CG LYS A 24 2.455 -11.212 4.284 1.00 0.51 C ATOM 382 CD LYS A 24 2.716 -12.415 3.399 1.00 1.24 C ATOM 383 CE LYS A 24 4.025 -12.279 2.643 1.00 2.30 C ATOM 384 NZ LYS A 24 4.209 -13.366 1.642 1.00 3.29 N ATOM 0 H LYS A 24 1.726 -7.686 3.467 1.00 0.10 H new ATOM 0 HA LYS A 24 3.506 -9.643 2.607 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.279 -9.430 4.290 1.00 0.17 H new ATOM 0 HB3 LYS A 24 0.791 -10.610 3.090 1.00 0.17 H new ATOM 0 HG2 LYS A 24 3.404 -10.793 4.618 1.00 0.51 H new ATOM 0 HG3 LYS A 24 1.914 -11.527 5.176 1.00 0.51 H new ATOM 0 HD2 LYS A 24 2.740 -13.318 4.009 1.00 1.24 H new ATOM 0 HD3 LYS A 24 1.896 -12.531 2.690 1.00 1.24 H new ATOM 0 HE2 LYS A 24 4.053 -11.313 2.138 1.00 2.30 H new ATOM 0 HE3 LYS A 24 4.855 -12.293 3.350 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 5.115 -13.234 1.149 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 4.209 -14.287 2.125 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 3.432 -13.337 0.951 1.00 3.29 H new ATOM 398 N SER A 25 0.903 -9.172 0.646 1.00 0.13 N ATOM 399 CA SER A 25 0.374 -9.437 -0.684 1.00 0.15 C ATOM 400 C SER A 25 1.285 -8.792 -1.724 1.00 0.14 C ATOM 401 O SER A 25 1.278 -9.162 -2.899 1.00 0.20 O ATOM 402 CB SER A 25 -1.060 -8.908 -0.810 1.00 0.20 C ATOM 403 OG SER A 25 -1.992 -9.845 -0.299 1.00 0.96 O ATOM 0 H SER A 25 0.374 -8.484 1.182 1.00 0.13 H new ATOM 0 HA SER A 25 0.345 -10.513 -0.854 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.153 -7.966 -0.270 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.284 -8.700 -1.856 1.00 0.20 H new ATOM 0 HG SER A 25 -2.510 -10.227 -1.038 1.00 0.96 H new ATOM 409 N LEU A 26 2.061 -7.813 -1.268 1.00 0.12 N ATOM 410 CA LEU A 26 3.014 -7.108 -2.106 1.00 0.13 C ATOM 411 C LEU A 26 4.410 -7.664 -1.928 1.00 0.16 C ATOM 412 O LEU A 26 5.383 -7.158 -2.488 1.00 0.28 O ATOM 413 CB LEU A 26 3.010 -5.640 -1.751 1.00 0.14 C ATOM 414 CG LEU A 26 2.041 -4.889 -2.602 1.00 0.27 C ATOM 415 CD1 LEU A 26 0.656 -4.926 -2.002 1.00 0.38 C ATOM 416 CD2 LEU A 26 2.510 -3.467 -2.875 1.00 0.66 C ATOM 0 H LEU A 26 2.043 -7.488 -0.301 1.00 0.12 H new ATOM 0 HA LEU A 26 2.719 -7.241 -3.147 1.00 0.13 H new ATOM 0 HB2 LEU A 26 2.749 -5.517 -0.700 1.00 0.14 H new ATOM 0 HB3 LEU A 26 4.010 -5.227 -1.881 1.00 0.14 H new ATOM 0 HG LEU A 26 1.992 -5.388 -3.570 1.00 0.27 H new ATOM 0 HD11 LEU A 26 -0.032 -4.372 -2.640 1.00 0.38 H new ATOM 0 HD12 LEU A 26 0.322 -5.960 -1.921 1.00 0.38 H new ATOM 0 HD13 LEU A 26 0.677 -4.472 -1.011 1.00 0.38 H new ATOM 0 HD21 LEU A 26 1.776 -2.955 -3.498 1.00 0.66 H new ATOM 0 HD22 LEU A 26 2.621 -2.933 -1.931 1.00 0.66 H new ATOM 0 HD23 LEU A 26 3.469 -3.493 -3.392 1.00 0.66 H new ATOM 428 N ARG A 27 4.478 -8.717 -1.142 1.00 0.15 N ATOM 429 CA ARG A 27 5.741 -9.378 -0.816 1.00 0.21 C ATOM 430 C ARG A 27 6.703 -8.385 -0.181 1.00 0.21 C ATOM 431 O ARG A 27 7.870 -8.697 0.052 1.00 0.35 O ATOM 432 CB ARG A 27 6.389 -9.997 -2.059 1.00 0.31 C ATOM 433 CG ARG A 27 5.489 -10.971 -2.797 1.00 1.11 C ATOM 434 CD ARG A 27 4.606 -10.246 -3.792 1.00 2.02 C ATOM 435 NE ARG A 27 3.552 -11.108 -4.327 1.00 2.71 N ATOM 436 CZ ARG A 27 2.590 -11.653 -3.586 1.00 3.55 C ATOM 437 NH1 ARG A 27 2.544 -11.430 -2.279 1.00 3.89 N ATOM 438 NH2 ARG A 27 1.671 -12.423 -4.154 1.00 4.34 N ATOM 0 H ARG A 27 3.662 -9.146 -0.706 1.00 0.15 H new ATOM 0 HA ARG A 27 5.522 -10.180 -0.111 1.00 0.21 H new ATOM 0 HB2 ARG A 27 6.681 -9.198 -2.741 1.00 0.31 H new ATOM 0 HB3 ARG A 27 7.302 -10.513 -1.763 1.00 0.31 H new ATOM 0 HG2 ARG A 27 6.097 -11.711 -3.317 1.00 1.11 H new ATOM 0 HG3 ARG A 27 4.869 -11.512 -2.082 1.00 1.11 H new ATOM 0 HD2 ARG A 27 4.154 -9.379 -3.310 1.00 2.02 H new ATOM 0 HD3 ARG A 27 5.218 -9.871 -4.613 1.00 2.02 H new ATOM 0 HE ARG A 27 3.554 -11.303 -5.328 1.00 2.71 H new ATOM 0 HH11 ARG A 27 3.248 -10.838 -1.837 1.00 3.89 H new ATOM 0 HH12 ARG A 27 1.805 -11.850 -1.716 1.00 3.89 H new ATOM 0 HH21 ARG A 27 1.702 -12.597 -5.159 1.00 4.34 H new ATOM 0 HH22 ARG A 27 0.934 -12.841 -3.586 1.00 4.34 H new ATOM 452 N LEU A 28 6.198 -7.188 0.106 1.00 0.14 N ATOM 453 CA LEU A 28 7.004 -6.137 0.704 1.00 0.14 C ATOM 454 C LEU A 28 6.844 -6.113 2.211 1.00 0.13 C ATOM 455 O LEU A 28 7.082 -5.086 2.847 1.00 0.13 O ATOM 456 CB LEU A 28 6.629 -4.776 0.110 1.00 0.16 C ATOM 457 CG LEU A 28 6.968 -4.613 -1.371 1.00 0.21 C ATOM 458 CD1 LEU A 28 6.048 -3.593 -2.019 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.424 -4.210 -1.546 1.00 0.67 C ATOM 0 H LEU A 28 5.228 -6.925 -0.069 1.00 0.14 H new ATOM 0 HA LEU A 28 8.050 -6.346 0.479 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.559 -4.618 0.244 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.139 -3.995 0.674 1.00 0.16 H new ATOM 0 HG LEU A 28 6.818 -5.573 -1.865 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.304 -3.490 -3.073 1.00 0.67 H new ATOM 0 HD12 LEU A 28 5.014 -3.926 -1.928 1.00 0.67 H new ATOM 0 HD13 LEU A 28 6.165 -2.630 -1.522 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.646 -4.099 -2.607 1.00 0.67 H new ATOM 0 HD22 LEU A 28 8.603 -3.263 -1.037 1.00 0.67 H new ATOM 0 HD23 LEU A 28 9.068 -4.979 -1.119 1.00 0.67 H new ATOM 471 N HIS A 29 6.421 -7.237 2.790 1.00 0.13 N ATOM 472 CA HIS A 29 6.298 -7.318 4.238 1.00 0.13 C ATOM 473 C HIS A 29 7.672 -7.053 4.826 1.00 0.12 C ATOM 474 O HIS A 29 7.838 -6.840 6.025 1.00 0.13 O ATOM 475 CB HIS A 29 5.780 -8.685 4.676 1.00 0.14 C ATOM 476 CG HIS A 29 6.533 -9.828 4.071 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.499 -10.117 2.722 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.347 -10.754 4.632 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.258 -11.169 2.479 1.00 0.20 C ATOM 480 NE2 HIS A 29 7.785 -11.576 3.620 1.00 0.24 N ATOM 0 H HIS A 29 6.163 -8.086 2.287 1.00 0.13 H new ATOM 0 HA HIS A 29 5.578 -6.581 4.593 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.838 -8.756 5.762 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.727 -8.770 4.406 1.00 0.14 H new ATOM 0 HD2 HIS A 29 7.604 -10.832 5.678 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.421 -11.621 1.512 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.414 -12.371 3.732 1.00 0.24 H new ATOM 489 N LYS A 30 8.656 -7.100 3.938 1.00 0.12 N ATOM 490 CA LYS A 30 10.034 -6.823 4.278 1.00 0.12 C ATOM 491 C LYS A 30 10.127 -5.410 4.831 1.00 0.11 C ATOM 492 O LYS A 30 10.834 -5.140 5.801 1.00 0.17 O ATOM 493 CB LYS A 30 10.888 -6.950 3.014 1.00 0.15 C ATOM 494 CG LYS A 30 10.238 -6.368 1.777 1.00 0.28 C ATOM 495 CD LYS A 30 10.433 -7.272 0.580 1.00 0.59 C ATOM 496 CE LYS A 30 11.534 -6.743 -0.303 1.00 0.65 C ATOM 497 NZ LYS A 30 11.631 -7.487 -1.589 1.00 0.72 N ATOM 0 H LYS A 30 8.513 -7.334 2.955 1.00 0.12 H new ATOM 0 HA LYS A 30 10.393 -7.528 5.028 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.843 -6.451 3.180 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.105 -8.004 2.838 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.173 -6.223 1.957 1.00 0.28 H new ATOM 0 HG3 LYS A 30 10.663 -5.386 1.568 1.00 0.28 H new ATOM 0 HD2 LYS A 30 10.678 -8.280 0.914 1.00 0.59 H new ATOM 0 HD3 LYS A 30 9.505 -7.341 0.013 1.00 0.59 H new ATOM 0 HE2 LYS A 30 11.357 -5.687 -0.509 1.00 0.65 H new ATOM 0 HE3 LYS A 30 12.485 -6.809 0.226 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 12.401 -7.089 -2.163 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 11.826 -8.490 -1.396 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 10.733 -7.403 -2.107 1.00 0.72 H new ATOM 511 N TYR A 31 9.389 -4.520 4.182 1.00 0.10 N ATOM 512 CA TYR A 31 9.325 -3.121 4.563 1.00 0.10 C ATOM 513 C TYR A 31 8.058 -2.846 5.351 1.00 0.11 C ATOM 514 O TYR A 31 7.526 -1.737 5.334 1.00 0.16 O ATOM 515 CB TYR A 31 9.391 -2.259 3.308 1.00 0.12 C ATOM 516 CG TYR A 31 10.596 -2.587 2.457 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.858 -2.707 3.030 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.471 -2.808 1.094 1.00 0.16 C ATOM 519 CE1 TYR A 31 12.961 -3.029 2.265 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.571 -3.137 0.324 1.00 0.20 C ATOM 521 CZ TYR A 31 12.812 -3.244 0.913 1.00 0.23 C ATOM 522 OH TYR A 31 13.907 -3.572 0.147 1.00 0.28 O ATOM 0 H TYR A 31 8.815 -4.753 3.371 1.00 0.10 H new ATOM 0 HA TYR A 31 10.171 -2.875 5.204 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.483 -2.403 2.722 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.424 -1.207 3.592 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.977 -2.546 4.091 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.501 -2.722 0.627 1.00 0.16 H new ATOM 0 HE1 TYR A 31 13.935 -3.112 2.724 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.458 -3.310 -0.736 1.00 0.20 H new ATOM 0 HH TYR A 31 13.630 -3.691 -0.786 1.00 0.28 H new ATOM 532 N SER A 32 7.578 -3.875 6.041 1.00 0.10 N ATOM 533 CA SER A 32 6.381 -3.757 6.852 1.00 0.12 C ATOM 534 C SER A 32 6.645 -2.855 8.040 1.00 0.13 C ATOM 535 O SER A 32 5.873 -1.952 8.324 1.00 0.16 O ATOM 536 CB SER A 32 5.921 -5.131 7.339 1.00 0.13 C ATOM 537 OG SER A 32 6.895 -5.726 8.180 1.00 1.30 O ATOM 0 H SER A 32 8.004 -4.802 6.052 1.00 0.10 H new ATOM 0 HA SER A 32 5.592 -3.323 6.238 1.00 0.12 H new ATOM 0 HB2 SER A 32 4.980 -5.032 7.880 1.00 0.13 H new ATOM 0 HB3 SER A 32 5.730 -5.779 6.483 1.00 0.13 H new ATOM 0 HG SER A 32 7.618 -6.097 7.632 1.00 1.30 H new ATOM 543 N ASP A 33 7.748 -3.110 8.726 1.00 0.12 N ATOM 544 CA ASP A 33 8.129 -2.315 9.890 1.00 0.14 C ATOM 545 C ASP A 33 8.248 -0.840 9.520 1.00 0.14 C ATOM 546 O ASP A 33 7.895 0.043 10.303 1.00 0.20 O ATOM 547 CB ASP A 33 9.461 -2.814 10.448 1.00 0.17 C ATOM 548 CG ASP A 33 9.703 -2.352 11.872 1.00 1.10 C ATOM 549 OD1 ASP A 33 10.290 -1.265 12.051 1.00 2.21 O ATOM 550 OD2 ASP A 33 9.303 -3.078 12.806 1.00 1.00 O ATOM 0 H ASP A 33 8.398 -3.862 8.499 1.00 0.12 H new ATOM 0 HA ASP A 33 7.354 -2.423 10.649 1.00 0.14 H new ATOM 0 HB2 ASP A 33 9.480 -3.903 10.415 1.00 0.17 H new ATOM 0 HB3 ASP A 33 10.273 -2.461 9.812 1.00 0.17 H new ATOM 555 N ALA A 34 8.752 -0.591 8.318 1.00 0.12 N ATOM 556 CA ALA A 34 8.941 0.767 7.817 1.00 0.13 C ATOM 557 C ALA A 34 7.638 1.408 7.363 1.00 0.12 C ATOM 558 O ALA A 34 7.403 2.593 7.594 1.00 0.15 O ATOM 559 CB ALA A 34 9.927 0.753 6.664 1.00 0.15 C ATOM 0 H ALA A 34 9.040 -1.320 7.665 1.00 0.12 H new ATOM 0 HA ALA A 34 9.329 1.365 8.642 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.066 1.768 6.292 1.00 0.15 H new ATOM 0 HB2 ALA A 34 10.883 0.358 7.008 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.541 0.123 5.863 1.00 0.15 H new ATOM 565 N LEU A 35 6.792 0.617 6.726 1.00 0.10 N ATOM 566 CA LEU A 35 5.529 1.114 6.202 1.00 0.09 C ATOM 567 C LEU A 35 4.371 0.928 7.184 1.00 0.09 C ATOM 568 O LEU A 35 3.281 1.455 6.967 1.00 0.12 O ATOM 569 CB LEU A 35 5.219 0.400 4.884 1.00 0.09 C ATOM 570 CG LEU A 35 5.869 0.991 3.618 1.00 0.19 C ATOM 571 CD1 LEU A 35 7.022 1.944 3.940 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.342 -0.128 2.690 1.00 0.14 C ATOM 0 H LEU A 35 6.957 -0.376 6.558 1.00 0.10 H new ATOM 0 HA LEU A 35 5.635 2.187 6.039 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.533 -0.640 4.976 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.138 0.395 4.743 1.00 0.09 H new ATOM 0 HG LEU A 35 5.104 1.579 3.111 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.444 2.331 3.013 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.652 2.772 4.544 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.793 1.408 4.493 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.799 0.306 1.800 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.074 -0.746 3.209 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.491 -0.743 2.398 1.00 0.14 H new ATOM 584 N SER A 36 4.609 0.198 8.270 1.00 0.10 N ATOM 585 CA SER A 36 3.563 -0.057 9.258 1.00 0.10 C ATOM 586 C SER A 36 3.167 1.223 9.981 1.00 0.10 C ATOM 587 O SER A 36 1.982 1.494 10.180 1.00 0.11 O ATOM 588 CB SER A 36 4.021 -1.099 10.281 1.00 0.13 C ATOM 589 OG SER A 36 5.192 -0.672 10.956 1.00 0.95 O ATOM 0 H SER A 36 5.511 -0.226 8.488 1.00 0.10 H new ATOM 0 HA SER A 36 2.696 -0.441 8.721 1.00 0.10 H new ATOM 0 HB2 SER A 36 3.225 -1.277 11.004 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.213 -2.047 9.778 1.00 0.13 H new ATOM 0 HG SER A 36 5.463 -1.355 11.605 1.00 0.95 H new ATOM 595 N GLY A 37 4.168 2.006 10.376 1.00 0.12 N ATOM 596 CA GLY A 37 3.906 3.252 11.072 1.00 0.13 C ATOM 597 C GLY A 37 2.996 4.170 10.283 1.00 0.12 C ATOM 598 O GLY A 37 2.488 5.159 10.810 1.00 0.15 O ATOM 0 H GLY A 37 5.155 1.799 10.226 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.452 3.037 12.039 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.850 3.761 11.269 1.00 0.13 H new ATOM 602 N THR A 38 2.792 3.835 9.013 1.00 0.08 N ATOM 603 CA THR A 38 1.941 4.623 8.140 1.00 0.08 C ATOM 604 C THR A 38 0.739 3.799 7.670 1.00 0.07 C ATOM 605 O THR A 38 0.909 2.683 7.194 1.00 0.08 O ATOM 606 CB THR A 38 2.727 5.120 6.910 1.00 0.09 C ATOM 607 OG1 THR A 38 3.893 5.834 7.336 1.00 0.11 O ATOM 608 CG2 THR A 38 1.865 6.025 6.049 1.00 0.11 C ATOM 0 H THR A 38 3.209 3.018 8.567 1.00 0.08 H new ATOM 0 HA THR A 38 1.589 5.483 8.710 1.00 0.08 H new ATOM 0 HB THR A 38 3.022 4.254 6.318 1.00 0.09 H new ATOM 0 HG1 THR A 38 3.855 6.753 6.998 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.440 6.363 5.187 1.00 0.11 H new ATOM 0 HG22 THR A 38 0.989 5.475 5.707 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.546 6.888 6.634 1.00 0.11 H new ATOM 616 N PRO A 39 -0.493 4.332 7.814 1.00 0.07 N ATOM 617 CA PRO A 39 -1.721 3.637 7.388 1.00 0.08 C ATOM 618 C PRO A 39 -1.809 3.518 5.877 1.00 0.07 C ATOM 619 O PRO A 39 -0.912 3.971 5.174 1.00 0.07 O ATOM 620 CB PRO A 39 -2.834 4.552 7.894 1.00 0.09 C ATOM 621 CG PRO A 39 -2.199 5.892 7.915 1.00 0.09 C ATOM 622 CD PRO A 39 -0.801 5.648 8.399 1.00 0.09 C ATOM 0 HA PRO A 39 -1.769 2.618 7.773 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.702 4.530 7.235 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.178 4.255 8.885 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.201 6.346 6.924 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.734 6.572 8.578 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.111 6.418 8.054 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.744 5.633 9.487 1.00 0.09 H new ATOM 630 N TRP A 40 -2.882 2.913 5.375 1.00 0.07 N ATOM 631 CA TRP A 40 -3.050 2.781 3.934 1.00 0.07 C ATOM 632 C TRP A 40 -3.390 4.127 3.323 1.00 0.07 C ATOM 633 O TRP A 40 -2.756 4.550 2.366 1.00 0.07 O ATOM 634 CB TRP A 40 -4.125 1.751 3.570 1.00 0.08 C ATOM 635 CG TRP A 40 -5.527 2.165 3.915 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.136 2.066 5.133 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.503 2.729 3.024 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.428 2.528 5.053 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.675 2.945 3.774 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.502 3.075 1.666 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.830 3.487 3.216 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.650 3.617 1.115 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.798 3.819 1.890 1.00 0.21 C ATOM 0 H TRP A 40 -3.635 2.513 5.935 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.104 2.424 3.527 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.072 1.552 2.500 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.900 0.814 4.080 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.671 1.681 6.028 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.096 2.555 5.824 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.621 2.921 1.060 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.719 3.640 3.809 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.660 3.889 0.070 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.677 4.246 1.431 1.00 0.21 H new ATOM 654 N ILE A 41 -4.374 4.812 3.902 1.00 0.08 N ATOM 655 CA ILE A 41 -4.796 6.111 3.399 1.00 0.09 C ATOM 656 C ILE A 41 -3.597 7.032 3.204 1.00 0.07 C ATOM 657 O ILE A 41 -3.639 7.960 2.397 1.00 0.08 O ATOM 658 CB ILE A 41 -5.810 6.787 4.345 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.641 7.817 3.577 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.099 7.443 5.522 1.00 0.12 C ATOM 661 CD1 ILE A 41 -8.107 7.458 3.490 1.00 0.45 C ATOM 0 H ILE A 41 -4.891 4.487 4.719 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.281 5.938 2.438 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.478 6.021 4.739 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.540 8.789 4.061 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.239 7.919 2.569 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.834 7.913 6.175 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.548 6.687 6.081 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.406 8.199 5.153 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.638 8.230 2.933 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -8.218 6.501 2.980 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.524 7.384 4.494 1.00 0.45 H new ATOM 673 N GLU A 42 -2.530 6.768 3.953 1.00 0.07 N ATOM 674 CA GLU A 42 -1.316 7.563 3.852 1.00 0.06 C ATOM 675 C GLU A 42 -0.311 6.846 2.959 1.00 0.06 C ATOM 676 O GLU A 42 0.404 7.473 2.180 1.00 0.07 O ATOM 677 CB GLU A 42 -0.722 7.821 5.236 1.00 0.07 C ATOM 678 CG GLU A 42 -1.537 8.789 6.079 1.00 0.09 C ATOM 679 CD GLU A 42 -1.571 10.187 5.492 1.00 1.13 C ATOM 680 OE1 GLU A 42 -2.460 10.458 4.659 1.00 2.15 O ATOM 681 OE2 GLU A 42 -0.708 11.009 5.866 1.00 1.02 O ATOM 0 H GLU A 42 -2.484 6.011 4.635 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.559 8.529 3.409 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.636 6.873 5.767 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.288 8.214 5.121 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -2.556 8.414 6.174 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -1.118 8.831 7.084 1.00 0.09 H new ATOM 688 N LEU A 43 -0.277 5.522 3.085 1.00 0.06 N ATOM 689 CA LEU A 43 0.605 4.686 2.280 1.00 0.07 C ATOM 690 C LEU A 43 0.329 4.943 0.811 1.00 0.08 C ATOM 691 O LEU A 43 1.207 5.343 0.048 1.00 0.10 O ATOM 692 CB LEU A 43 0.347 3.212 2.590 1.00 0.08 C ATOM 693 CG LEU A 43 1.541 2.412 3.120 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.693 2.443 2.133 1.00 0.11 C ATOM 695 CD2 LEU A 43 1.990 2.942 4.469 1.00 0.09 C ATOM 0 H LEU A 43 -0.857 5.002 3.744 1.00 0.06 H new ATOM 0 HA LEU A 43 1.643 4.927 2.512 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.458 3.152 3.323 1.00 0.08 H new ATOM 0 HB3 LEU A 43 -0.013 2.729 1.681 1.00 0.08 H new ATOM 0 HG LEU A 43 1.221 1.377 3.245 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.529 1.868 2.531 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.373 2.009 1.186 1.00 0.11 H new ATOM 0 HD13 LEU A 43 3.006 3.474 1.972 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.839 2.358 4.825 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.284 3.987 4.370 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.170 2.862 5.183 1.00 0.09 H new ATOM 707 N ILE A 44 -0.919 4.703 0.440 1.00 0.09 N ATOM 708 CA ILE A 44 -1.393 4.903 -0.913 1.00 0.10 C ATOM 709 C ILE A 44 -1.194 6.349 -1.364 1.00 0.10 C ATOM 710 O ILE A 44 -1.363 6.672 -2.538 1.00 0.15 O ATOM 711 CB ILE A 44 -2.884 4.533 -1.007 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.744 5.536 -0.229 1.00 0.14 C ATOM 713 CG2 ILE A 44 -3.089 3.134 -0.454 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.213 5.497 -0.588 1.00 0.20 C ATOM 0 H ILE A 44 -1.636 4.360 1.080 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.812 4.257 -1.571 1.00 0.10 H new ATOM 0 HB ILE A 44 -3.190 4.563 -2.053 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.636 5.340 0.838 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.363 6.541 -0.409 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -4.144 2.868 -0.519 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.500 2.424 -1.034 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.771 3.104 0.588 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.752 6.235 0.005 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.335 5.723 -1.647 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.612 4.504 -0.381 1.00 0.20 H new ATOM 726 N TYR A 45 -0.839 7.215 -0.419 1.00 0.08 N ATOM 727 CA TYR A 45 -0.622 8.625 -0.722 1.00 0.08 C ATOM 728 C TYR A 45 0.866 8.979 -0.703 1.00 0.08 C ATOM 729 O TYR A 45 1.256 10.058 -1.150 1.00 0.10 O ATOM 730 CB TYR A 45 -1.387 9.505 0.271 1.00 0.10 C ATOM 731 CG TYR A 45 -2.836 9.773 -0.106 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.537 8.927 -0.965 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.503 10.876 0.410 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.858 9.179 -1.293 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.821 11.133 0.085 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.494 10.282 -0.766 1.00 0.16 C ATOM 737 OH TYR A 45 -6.807 10.535 -1.090 1.00 0.19 O ATOM 0 H TYR A 45 -0.696 6.966 0.560 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.998 8.811 -1.728 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.362 9.029 1.251 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.868 10.459 0.366 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -3.042 8.062 -1.381 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.982 11.546 1.078 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.388 8.514 -1.959 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.322 11.997 0.496 1.00 0.18 H new ATOM 0 HH TYR A 45 -7.105 11.350 -0.634 1.00 0.19 H new ATOM 747 N LEU A 46 1.694 8.072 -0.183 1.00 0.08 N ATOM 748 CA LEU A 46 3.135 8.302 -0.126 1.00 0.09 C ATOM 749 C LEU A 46 3.719 8.409 -1.525 1.00 0.09 C ATOM 750 O LEU A 46 2.999 8.580 -2.509 1.00 0.11 O ATOM 751 CB LEU A 46 3.856 7.162 0.595 1.00 0.10 C ATOM 752 CG LEU A 46 3.358 6.813 1.996 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.249 5.744 2.609 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.328 8.043 2.889 1.00 0.12 C ATOM 0 H LEU A 46 1.392 7.177 0.202 1.00 0.08 H new ATOM 0 HA LEU A 46 3.282 9.234 0.420 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.784 6.268 -0.024 1.00 0.10 H new ATOM 0 HB3 LEU A 46 4.913 7.418 0.664 1.00 0.10 H new ATOM 0 HG LEU A 46 2.340 6.431 1.913 1.00 0.11 H new ATOM 0 HD11 LEU A 46 3.889 5.499 3.608 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.226 4.850 1.986 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.272 6.116 2.673 1.00 0.14 H new ATOM 0 HD21 LEU A 46 2.969 7.765 3.880 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.332 8.458 2.970 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.660 8.789 2.458 1.00 0.12 H new ATOM 766 N ASP A 47 5.038 8.295 -1.597 1.00 0.09 N ATOM 767 CA ASP A 47 5.746 8.352 -2.864 1.00 0.10 C ATOM 768 C ASP A 47 7.060 7.594 -2.761 1.00 0.10 C ATOM 769 O ASP A 47 7.437 7.138 -1.683 1.00 0.16 O ATOM 770 CB ASP A 47 6.015 9.804 -3.272 1.00 0.11 C ATOM 771 CG ASP A 47 4.742 10.572 -3.572 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.270 10.511 -4.725 1.00 1.31 O ATOM 773 OD2 ASP A 47 4.218 11.233 -2.651 1.00 0.96 O ATOM 0 H ASP A 47 5.641 8.162 -0.785 1.00 0.09 H new ATOM 0 HA ASP A 47 5.121 7.888 -3.627 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.558 10.307 -2.472 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.658 9.817 -4.152 1.00 0.11 H new ATOM 778 N ASP A 48 7.742 7.457 -3.887 1.00 0.12 N ATOM 779 CA ASP A 48 9.027 6.768 -3.926 1.00 0.14 C ATOM 780 C ASP A 48 9.928 7.279 -2.807 1.00 0.14 C ATOM 781 O ASP A 48 10.470 6.504 -2.022 1.00 0.21 O ATOM 782 CB ASP A 48 9.694 6.988 -5.287 1.00 0.17 C ATOM 783 CG ASP A 48 11.209 6.972 -5.212 1.00 1.06 C ATOM 784 OD1 ASP A 48 11.800 8.032 -4.913 1.00 1.73 O ATOM 785 OD2 ASP A 48 11.804 5.904 -5.455 1.00 1.65 O ATOM 0 H ASP A 48 7.428 7.814 -4.789 1.00 0.12 H new ATOM 0 HA ASP A 48 8.864 5.700 -3.782 1.00 0.14 H new ATOM 0 HB2 ASP A 48 9.361 6.214 -5.978 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.366 7.943 -5.697 1.00 0.17 H new ATOM 790 N GLU A 49 10.064 8.596 -2.740 1.00 0.14 N ATOM 791 CA GLU A 49 10.893 9.236 -1.721 1.00 0.16 C ATOM 792 C GLU A 49 10.484 8.815 -0.313 1.00 0.13 C ATOM 793 O GLU A 49 11.290 8.254 0.428 1.00 0.19 O ATOM 794 CB GLU A 49 10.812 10.760 -1.834 1.00 0.23 C ATOM 795 CG GLU A 49 11.633 11.494 -0.780 1.00 0.37 C ATOM 796 CD GLU A 49 11.482 12.999 -0.870 1.00 0.46 C ATOM 797 OE1 GLU A 49 10.562 13.543 -0.223 1.00 0.52 O ATOM 798 OE2 GLU A 49 12.284 13.635 -1.586 1.00 0.51 O ATOM 0 H GLU A 49 9.610 9.247 -3.381 1.00 0.14 H new ATOM 0 HA GLU A 49 11.918 8.911 -1.896 1.00 0.16 H new ATOM 0 HB2 GLU A 49 11.154 11.061 -2.824 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.770 11.067 -1.750 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.327 11.160 0.211 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.684 11.230 -0.895 1.00 0.37 H new ATOM 805 N THR A 50 9.229 9.083 0.050 1.00 0.11 N ATOM 806 CA THR A 50 8.731 8.752 1.381 1.00 0.10 C ATOM 807 C THR A 50 9.060 7.316 1.760 1.00 0.09 C ATOM 808 O THR A 50 9.593 7.066 2.837 1.00 0.13 O ATOM 809 CB THR A 50 7.213 8.960 1.492 1.00 0.12 C ATOM 810 OG1 THR A 50 6.868 10.295 1.104 1.00 0.19 O ATOM 811 CG2 THR A 50 6.747 8.704 2.918 1.00 0.14 C ATOM 0 H THR A 50 8.542 9.527 -0.559 1.00 0.11 H new ATOM 0 HA THR A 50 9.233 9.431 2.070 1.00 0.10 H new ATOM 0 HB THR A 50 6.718 8.254 0.825 1.00 0.12 H new ATOM 0 HG1 THR A 50 5.898 10.417 1.177 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.669 8.855 2.981 1.00 0.14 H new ATOM 0 HG22 THR A 50 6.987 7.679 3.201 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.251 9.394 3.595 1.00 0.14 H new ATOM 819 N LEU A 51 8.748 6.384 0.865 1.00 0.09 N ATOM 820 CA LEU A 51 9.007 4.967 1.104 1.00 0.11 C ATOM 821 C LEU A 51 10.449 4.751 1.545 1.00 0.11 C ATOM 822 O LEU A 51 10.728 3.908 2.396 1.00 0.14 O ATOM 823 CB LEU A 51 8.705 4.175 -0.161 1.00 0.12 C ATOM 824 CG LEU A 51 7.217 3.931 -0.412 1.00 0.16 C ATOM 825 CD1 LEU A 51 6.957 3.665 -1.884 1.00 0.89 C ATOM 826 CD2 LEU A 51 6.725 2.769 0.439 1.00 0.74 C ATOM 0 H LEU A 51 8.314 6.585 -0.036 1.00 0.09 H new ATOM 0 HA LEU A 51 8.358 4.616 1.906 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.123 4.706 -1.016 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.214 3.213 -0.103 1.00 0.12 H new ATOM 0 HG LEU A 51 6.666 4.828 -0.129 1.00 0.16 H new ATOM 0 HD11 LEU A 51 5.892 3.494 -2.040 1.00 0.89 H new ATOM 0 HD12 LEU A 51 7.276 4.526 -2.471 1.00 0.89 H new ATOM 0 HD13 LEU A 51 7.516 2.784 -2.199 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.664 2.605 0.252 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.283 1.868 0.182 1.00 0.74 H new ATOM 0 HD23 LEU A 51 6.876 3.001 1.493 1.00 0.74 H new ATOM 838 N GLU A 52 11.358 5.521 0.963 1.00 0.10 N ATOM 839 CA GLU A 52 12.766 5.439 1.323 1.00 0.13 C ATOM 840 C GLU A 52 12.945 5.989 2.726 1.00 0.13 C ATOM 841 O GLU A 52 13.719 5.470 3.530 1.00 0.16 O ATOM 842 CB GLU A 52 13.604 6.252 0.343 1.00 0.16 C ATOM 843 CG GLU A 52 15.048 5.789 0.246 1.00 0.33 C ATOM 844 CD GLU A 52 15.874 6.640 -0.698 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.165 7.804 -0.349 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.231 6.142 -1.787 1.00 0.52 O ATOM 0 H GLU A 52 11.146 6.209 0.240 1.00 0.10 H new ATOM 0 HA GLU A 52 13.093 4.400 1.286 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.147 6.198 -0.645 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.587 7.299 0.645 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.500 5.811 1.238 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.071 4.753 -0.091 1.00 0.33 H new ATOM 853 N LYS A 53 12.207 7.055 2.994 1.00 0.13 N ATOM 854 CA LYS A 53 12.236 7.718 4.290 1.00 0.16 C ATOM 855 C LYS A 53 11.726 6.786 5.390 1.00 0.18 C ATOM 856 O LYS A 53 12.090 6.932 6.557 1.00 0.25 O ATOM 857 CB LYS A 53 11.396 8.992 4.236 1.00 0.17 C ATOM 858 CG LYS A 53 11.729 9.867 3.038 1.00 0.42 C ATOM 859 CD LYS A 53 12.984 10.689 3.277 1.00 0.60 C ATOM 860 CE LYS A 53 12.717 11.810 4.259 1.00 1.54 C ATOM 861 NZ LYS A 53 12.495 13.113 3.572 1.00 2.19 N ATOM 0 H LYS A 53 11.572 7.485 2.321 1.00 0.13 H new ATOM 0 HA LYS A 53 13.267 7.981 4.525 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.340 8.724 4.202 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.551 9.563 5.151 1.00 0.17 H new ATOM 0 HG2 LYS A 53 11.866 9.241 2.156 1.00 0.42 H new ATOM 0 HG3 LYS A 53 10.892 10.533 2.829 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.777 10.046 3.659 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.337 11.104 2.333 1.00 0.60 H new ATOM 0 HE2 LYS A 53 11.842 11.564 4.861 1.00 1.54 H new ATOM 0 HE3 LYS A 53 13.560 11.900 4.944 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 12.316 13.853 4.281 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 13.339 13.361 3.018 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 11.675 13.036 2.937 1.00 2.19 H new ATOM 875 N LYS A 54 10.878 5.829 5.008 1.00 0.13 N ATOM 876 CA LYS A 54 10.330 4.867 5.961 1.00 0.16 C ATOM 877 C LYS A 54 11.392 3.844 6.322 1.00 0.17 C ATOM 878 O LYS A 54 11.844 3.761 7.464 1.00 0.21 O ATOM 879 CB LYS A 54 9.127 4.135 5.357 1.00 0.16 C ATOM 880 CG LYS A 54 8.310 4.980 4.389 1.00 0.25 C ATOM 881 CD LYS A 54 7.654 6.177 5.055 1.00 0.39 C ATOM 882 CE LYS A 54 6.619 5.757 6.077 1.00 0.30 C ATOM 883 NZ LYS A 54 7.226 5.436 7.400 1.00 1.20 N ATOM 0 H LYS A 54 10.558 5.701 4.048 1.00 0.13 H new ATOM 0 HA LYS A 54 10.011 5.410 6.851 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.480 3.245 4.837 1.00 0.16 H new ATOM 0 HB3 LYS A 54 8.478 3.796 6.165 1.00 0.16 H new ATOM 0 HG2 LYS A 54 8.957 5.328 3.584 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.540 4.358 3.933 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.417 6.786 5.540 1.00 0.39 H new ATOM 0 HD3 LYS A 54 7.182 6.802 4.296 1.00 0.39 H new ATOM 0 HE2 LYS A 54 5.888 6.556 6.200 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.079 4.885 5.707 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 6.683 5.903 8.154 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 7.210 4.407 7.549 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 8.209 5.773 7.422 1.00 1.20 H new ATOM 897 N GLY A 55 11.779 3.069 5.319 1.00 0.19 N ATOM 898 CA GLY A 55 12.787 2.048 5.501 1.00 0.23 C ATOM 899 C GLY A 55 12.860 1.090 4.325 1.00 0.25 C ATOM 900 O GLY A 55 13.458 0.018 4.427 1.00 0.38 O ATOM 0 H GLY A 55 11.407 3.132 4.372 1.00 0.19 H new ATOM 0 HA2 GLY A 55 13.759 2.522 5.641 1.00 0.23 H new ATOM 0 HA3 GLY A 55 12.572 1.487 6.410 1.00 0.23 H new ATOM 904 N VAL A 56 12.244 1.472 3.208 1.00 0.17 N ATOM 905 CA VAL A 56 12.251 0.651 2.006 1.00 0.21 C ATOM 906 C VAL A 56 13.670 0.551 1.457 1.00 0.40 C ATOM 907 O VAL A 56 14.287 -0.514 1.468 1.00 0.89 O ATOM 908 CB VAL A 56 11.283 1.225 0.944 1.00 0.18 C ATOM 909 CG1 VAL A 56 11.488 0.547 -0.401 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.826 1.075 1.398 1.00 0.17 C ATOM 0 H VAL A 56 11.732 2.349 3.114 1.00 0.17 H new ATOM 0 HA VAL A 56 11.905 -0.351 2.260 1.00 0.21 H new ATOM 0 HB VAL A 56 11.503 2.287 0.831 1.00 0.18 H new ATOM 0 HG11 VAL A 56 10.796 0.968 -1.130 1.00 0.28 H new ATOM 0 HG12 VAL A 56 12.512 0.708 -0.738 1.00 0.28 H new ATOM 0 HG13 VAL A 56 11.303 -0.523 -0.301 1.00 0.28 H new ATOM 0 HG21 VAL A 56 9.163 1.485 0.636 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.598 0.020 1.547 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.679 1.613 2.334 1.00 0.17 H new ATOM 920 N LEU A 57 14.157 1.671 0.973 1.00 0.21 N ATOM 921 CA LEU A 57 15.521 1.791 0.449 1.00 0.26 C ATOM 922 C LEU A 57 15.736 0.969 -0.817 1.00 0.36 C ATOM 923 O LEU A 57 16.858 0.555 -1.111 1.00 0.83 O ATOM 924 CB LEU A 57 16.530 1.352 1.516 1.00 0.34 C ATOM 925 CG LEU A 57 16.644 2.228 2.773 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.743 3.447 2.693 1.00 0.24 C ATOM 927 CD2 LEU A 57 16.299 1.409 4.003 1.00 0.55 C ATOM 0 H LEU A 57 13.622 2.538 0.926 1.00 0.21 H new ATOM 0 HA LEU A 57 15.672 2.839 0.191 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.272 0.341 1.830 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.514 1.299 1.050 1.00 0.34 H new ATOM 0 HG LEU A 57 17.673 2.581 2.842 1.00 0.37 H new ATOM 0 HD11 LEU A 57 15.853 4.041 3.601 1.00 0.24 H new ATOM 0 HD12 LEU A 57 16.023 4.050 1.829 1.00 0.24 H new ATOM 0 HD13 LEU A 57 14.706 3.127 2.592 1.00 0.24 H new ATOM 0 HD21 LEU A 57 16.381 2.035 4.892 1.00 0.55 H new ATOM 0 HD22 LEU A 57 15.279 1.034 3.916 1.00 0.55 H new ATOM 0 HD23 LEU A 57 16.988 0.569 4.086 1.00 0.55 H new ATOM 939 N ALA A 58 14.669 0.731 -1.563 1.00 0.21 N ATOM 940 CA ALA A 58 14.771 -0.035 -2.795 1.00 0.17 C ATOM 941 C ALA A 58 14.071 0.668 -3.937 1.00 0.13 C ATOM 942 O ALA A 58 12.846 0.668 -4.013 1.00 0.12 O ATOM 943 CB ALA A 58 14.174 -1.409 -2.607 1.00 0.18 C ATOM 0 H ALA A 58 13.728 1.055 -1.339 1.00 0.21 H new ATOM 0 HA ALA A 58 15.829 -0.128 -3.042 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.257 -1.972 -3.537 1.00 0.18 H new ATOM 0 HB2 ALA A 58 14.710 -1.934 -1.816 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.123 -1.315 -2.332 1.00 0.18 H new ATOM 949 N LEU A 59 14.855 1.263 -4.827 1.00 0.14 N ATOM 950 CA LEU A 59 14.295 1.947 -5.981 1.00 0.13 C ATOM 951 C LEU A 59 13.304 1.024 -6.666 1.00 0.12 C ATOM 952 O LEU A 59 12.343 1.468 -7.291 1.00 0.14 O ATOM 953 CB LEU A 59 15.401 2.355 -6.963 1.00 0.15 C ATOM 954 CG LEU A 59 16.032 3.726 -6.711 1.00 0.19 C ATOM 955 CD1 LEU A 59 15.005 4.826 -6.929 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.613 3.804 -5.306 1.00 0.27 C ATOM 0 H LEU A 59 15.873 1.285 -4.771 1.00 0.14 H new ATOM 0 HA LEU A 59 13.789 2.854 -5.649 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.187 1.601 -6.931 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.989 2.344 -7.972 1.00 0.15 H new ATOM 0 HG LEU A 59 16.847 3.866 -7.421 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.467 5.796 -6.746 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.640 4.785 -7.955 1.00 0.24 H new ATOM 0 HD13 LEU A 59 14.171 4.686 -6.242 1.00 0.24 H new ATOM 0 HD21 LEU A 59 17.056 4.788 -5.150 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.821 3.643 -4.575 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.379 3.038 -5.186 1.00 0.27 H new ATOM 968 N GLY A 60 13.565 -0.271 -6.542 1.00 0.12 N ATOM 969 CA GLY A 60 12.694 -1.262 -7.119 1.00 0.12 C ATOM 970 C GLY A 60 11.415 -1.438 -6.326 1.00 0.11 C ATOM 971 O GLY A 60 10.339 -1.561 -6.901 1.00 0.14 O ATOM 0 H GLY A 60 14.373 -0.649 -6.047 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.448 -0.975 -8.141 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.219 -2.216 -7.173 1.00 0.12 H new ATOM 975 N ALA A 61 11.539 -1.456 -5.000 1.00 0.10 N ATOM 976 CA ALA A 61 10.391 -1.637 -4.115 1.00 0.10 C ATOM 977 C ALA A 61 9.505 -0.400 -4.009 1.00 0.11 C ATOM 978 O ALA A 61 8.300 -0.474 -4.240 1.00 0.16 O ATOM 979 CB ALA A 61 10.856 -2.040 -2.726 1.00 0.13 C ATOM 0 H ALA A 61 12.429 -1.347 -4.513 1.00 0.10 H new ATOM 0 HA ALA A 61 9.788 -2.428 -4.561 1.00 0.10 H new ATOM 0 HB1 ALA A 61 9.991 -2.172 -2.077 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.411 -2.976 -2.785 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.501 -1.262 -2.318 1.00 0.13 H new ATOM 985 N ARG A 62 10.100 0.733 -3.649 1.00 0.14 N ATOM 986 CA ARG A 62 9.339 1.959 -3.462 1.00 0.16 C ATOM 987 C ARG A 62 8.673 2.438 -4.739 1.00 0.11 C ATOM 988 O ARG A 62 7.448 2.546 -4.798 1.00 0.11 O ATOM 989 CB ARG A 62 10.221 3.053 -2.867 1.00 0.23 C ATOM 990 CG ARG A 62 11.433 3.430 -3.699 1.00 0.32 C ATOM 991 CD ARG A 62 12.415 4.247 -2.876 1.00 0.23 C ATOM 992 NE ARG A 62 13.495 4.805 -3.683 1.00 0.21 N ATOM 993 CZ ARG A 62 13.941 6.053 -3.552 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.362 6.883 -2.695 1.00 0.81 N ATOM 995 NH2 ARG A 62 14.962 6.475 -4.285 1.00 0.48 N ATOM 0 H ARG A 62 11.102 0.826 -3.482 1.00 0.14 H new ATOM 0 HA ARG A 62 8.537 1.729 -2.760 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.613 3.945 -2.715 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.562 2.728 -1.884 1.00 0.23 H new ATOM 0 HG2 ARG A 62 11.922 2.528 -4.068 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.118 4.002 -4.572 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.881 5.057 -2.380 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.839 3.618 -2.093 1.00 0.23 H new ATOM 0 HE ARG A 62 13.932 4.207 -4.385 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.572 6.566 -2.133 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.707 7.838 -2.598 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.407 5.843 -4.951 1.00 0.48 H new ATOM 0 HH22 ARG A 62 15.302 7.431 -4.183 1.00 0.48 H new ATOM 1009 N ARG A 63 9.470 2.739 -5.750 1.00 0.12 N ATOM 1010 CA ARG A 63 8.926 3.196 -7.021 1.00 0.13 C ATOM 1011 C ARG A 63 7.819 2.248 -7.475 1.00 0.12 C ATOM 1012 O ARG A 63 6.918 2.629 -8.221 1.00 0.14 O ATOM 1013 CB ARG A 63 10.016 3.268 -8.087 1.00 0.16 C ATOM 1014 CG ARG A 63 11.046 4.357 -7.841 1.00 0.79 C ATOM 1015 CD ARG A 63 12.101 4.380 -8.935 1.00 0.75 C ATOM 1016 NE ARG A 63 11.504 4.498 -10.262 1.00 1.33 N ATOM 1017 CZ ARG A 63 12.124 4.146 -11.383 1.00 1.56 C ATOM 1018 NH1 ARG A 63 13.358 3.661 -11.338 1.00 1.33 N ATOM 1019 NH2 ARG A 63 11.510 4.277 -12.551 1.00 2.47 N ATOM 0 H ARG A 63 10.488 2.677 -5.719 1.00 0.12 H new ATOM 0 HA ARG A 63 8.517 4.197 -6.882 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.525 2.305 -8.138 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.550 3.435 -9.058 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.549 5.326 -7.792 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.525 4.196 -6.875 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.781 5.215 -8.767 1.00 0.75 H new ATOM 0 HD3 ARG A 63 12.697 3.469 -8.884 1.00 0.75 H new ATOM 0 HE ARG A 63 10.558 4.872 -10.332 1.00 1.33 H new ATOM 0 HH11 ARG A 63 13.833 3.558 -10.441 1.00 1.33 H new ATOM 0 HH12 ARG A 63 13.832 3.391 -12.200 1.00 1.33 H new ATOM 0 HH21 ARG A 63 10.561 4.648 -12.589 1.00 2.47 H new ATOM 0 HH22 ARG A 63 11.987 4.006 -13.411 1.00 2.47 H new ATOM 1033 N LYS A 64 7.908 1.001 -7.010 1.00 0.10 N ATOM 1034 CA LYS A 64 6.925 -0.026 -7.340 1.00 0.13 C ATOM 1035 C LYS A 64 5.674 0.124 -6.491 1.00 0.11 C ATOM 1036 O LYS A 64 4.560 -0.025 -6.985 1.00 0.12 O ATOM 1037 CB LYS A 64 7.523 -1.412 -7.120 1.00 0.18 C ATOM 1038 CG LYS A 64 6.607 -2.551 -7.541 1.00 0.76 C ATOM 1039 CD LYS A 64 6.703 -2.816 -9.035 1.00 1.33 C ATOM 1040 CE LYS A 64 7.992 -3.539 -9.391 1.00 1.80 C ATOM 1041 NZ LYS A 64 8.193 -3.628 -10.864 1.00 2.52 N ATOM 0 H LYS A 64 8.658 0.678 -6.399 1.00 0.10 H new ATOM 0 HA LYS A 64 6.652 0.094 -8.388 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.458 -1.486 -7.675 1.00 0.18 H new ATOM 0 HB3 LYS A 64 7.769 -1.528 -6.064 1.00 0.18 H new ATOM 0 HG2 LYS A 64 6.871 -3.455 -6.992 1.00 0.76 H new ATOM 0 HG3 LYS A 64 5.577 -2.308 -7.278 1.00 0.76 H new ATOM 0 HD2 LYS A 64 5.849 -3.413 -9.355 1.00 1.33 H new ATOM 0 HD3 LYS A 64 6.653 -1.872 -9.577 1.00 1.33 H new ATOM 0 HE2 LYS A 64 8.837 -3.017 -8.941 1.00 1.80 H new ATOM 0 HE3 LYS A 64 7.974 -4.543 -8.966 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 9.083 -4.128 -11.063 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 7.400 -4.148 -11.292 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 8.236 -2.670 -11.267 1.00 2.52 H new ATOM 1055 N LEU A 65 5.865 0.396 -5.203 1.00 0.11 N ATOM 1056 CA LEU A 65 4.748 0.573 -4.289 1.00 0.11 C ATOM 1057 C LEU A 65 3.817 1.662 -4.793 1.00 0.08 C ATOM 1058 O LEU A 65 2.632 1.683 -4.464 1.00 0.09 O ATOM 1059 CB LEU A 65 5.252 0.916 -2.891 1.00 0.13 C ATOM 1060 CG LEU A 65 5.437 -0.290 -1.976 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.803 -0.259 -1.316 1.00 0.22 C ATOM 1062 CD2 LEU A 65 4.335 -0.339 -0.931 1.00 0.23 C ATOM 0 H LEU A 65 6.784 0.498 -4.772 1.00 0.11 H new ATOM 0 HA LEU A 65 4.193 -0.364 -4.239 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.204 1.440 -2.979 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.550 1.607 -2.424 1.00 0.13 H new ATOM 0 HG LEU A 65 5.375 -1.194 -2.582 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.914 -1.128 -0.668 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.578 -0.277 -2.082 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.900 0.650 -0.723 1.00 0.22 H new ATOM 0 HD21 LEU A 65 4.483 -1.206 -0.287 1.00 0.23 H new ATOM 0 HD22 LEU A 65 4.364 0.569 -0.329 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.367 -0.416 -1.426 1.00 0.23 H new ATOM 1074 N LEU A 66 4.366 2.566 -5.597 1.00 0.08 N ATOM 1075 CA LEU A 66 3.585 3.656 -6.162 1.00 0.09 C ATOM 1076 C LEU A 66 2.475 3.102 -7.042 1.00 0.11 C ATOM 1077 O LEU A 66 1.485 3.782 -7.314 1.00 0.14 O ATOM 1078 CB LEU A 66 4.487 4.605 -6.954 1.00 0.11 C ATOM 1079 CG LEU A 66 5.193 5.668 -6.108 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.570 5.978 -6.671 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.350 6.932 -6.033 1.00 0.14 C ATOM 0 H LEU A 66 5.349 2.564 -5.871 1.00 0.08 H new ATOM 0 HA LEU A 66 3.130 4.222 -5.349 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.241 4.017 -7.477 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.887 5.104 -7.715 1.00 0.11 H new ATOM 0 HG LEU A 66 5.319 5.275 -5.099 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.053 6.736 -6.054 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.175 5.071 -6.672 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.471 6.350 -7.691 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.866 7.678 -5.428 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.193 7.325 -7.038 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.386 6.700 -5.579 1.00 0.14 H new ATOM 1093 N LYS A 67 2.646 1.858 -7.488 1.00 0.12 N ATOM 1094 CA LYS A 67 1.639 1.205 -8.311 1.00 0.16 C ATOM 1095 C LYS A 67 0.504 0.735 -7.424 1.00 0.14 C ATOM 1096 O LYS A 67 -0.669 0.811 -7.790 1.00 0.16 O ATOM 1097 CB LYS A 67 2.221 0.014 -9.062 1.00 0.22 C ATOM 1098 CG LYS A 67 1.277 -0.526 -10.121 1.00 0.84 C ATOM 1099 CD LYS A 67 1.971 -1.518 -11.021 1.00 1.26 C ATOM 1100 CE LYS A 67 2.218 -2.836 -10.307 1.00 1.56 C ATOM 1101 NZ LYS A 67 2.690 -3.897 -11.240 1.00 2.20 N ATOM 0 H LYS A 67 3.469 1.288 -7.293 1.00 0.12 H new ATOM 0 HA LYS A 67 1.276 1.923 -9.046 1.00 0.16 H new ATOM 0 HB2 LYS A 67 3.159 0.309 -9.533 1.00 0.22 H new ATOM 0 HB3 LYS A 67 2.456 -0.779 -8.352 1.00 0.22 H new ATOM 0 HG2 LYS A 67 0.423 -1.003 -9.640 1.00 0.84 H new ATOM 0 HG3 LYS A 67 0.887 0.299 -10.718 1.00 0.84 H new ATOM 0 HD2 LYS A 67 1.364 -1.692 -11.910 1.00 1.26 H new ATOM 0 HD3 LYS A 67 2.920 -1.102 -11.360 1.00 1.26 H new ATOM 0 HE2 LYS A 67 2.959 -2.689 -9.521 1.00 1.56 H new ATOM 0 HE3 LYS A 67 1.298 -3.163 -9.822 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 2.846 -4.779 -10.712 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 1.973 -4.056 -11.976 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 3.581 -3.597 -11.684 1.00 2.20 H new ATOM 1115 N ALA A 68 0.874 0.249 -6.243 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.097 -0.232 -5.276 1.00 0.14 C ATOM 1117 C ALA A 68 -0.863 0.936 -4.683 1.00 0.13 C ATOM 1118 O ALA A 68 -2.051 0.833 -4.391 1.00 0.23 O ATOM 1119 CB ALA A 68 0.594 -1.030 -4.178 1.00 0.17 C ATOM 0 H ALA A 68 1.844 0.179 -5.935 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.801 -0.890 -5.785 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.149 -1.383 -3.462 1.00 0.17 H new ATOM 0 HB2 ALA A 68 1.108 -1.884 -4.618 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.317 -0.395 -3.667 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.167 2.054 -4.519 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.766 3.254 -3.967 1.00 0.11 C ATOM 1127 C PHE A 69 -1.948 3.704 -4.820 1.00 0.10 C ATOM 1128 O PHE A 69 -2.971 4.145 -4.298 1.00 0.12 O ATOM 1129 CB PHE A 69 0.280 4.373 -3.896 1.00 0.11 C ATOM 1130 CG PHE A 69 1.413 4.132 -2.920 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.390 3.068 -2.026 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.504 4.990 -2.899 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.432 2.870 -1.135 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.546 4.793 -2.010 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.510 3.732 -1.126 1.00 0.12 C ATOM 0 H PHE A 69 0.819 2.151 -4.763 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.126 3.032 -2.962 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.702 4.518 -4.890 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.222 5.302 -3.624 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.551 2.388 -2.026 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.540 5.823 -3.586 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.401 2.039 -0.446 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.388 5.469 -2.007 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.322 3.578 -0.431 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.798 3.580 -6.137 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.850 3.987 -7.052 1.00 0.13 C ATOM 1147 C GLY A 70 -4.024 3.032 -7.098 1.00 0.13 C ATOM 1148 O GLY A 70 -5.173 3.458 -6.989 1.00 0.13 O ATOM 0 H GLY A 70 -0.964 3.204 -6.587 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.208 4.975 -6.762 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.431 4.081 -8.054 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.746 1.745 -7.263 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.804 0.743 -7.328 1.00 0.15 C ATOM 1154 C ILE A 71 -5.708 0.842 -6.108 1.00 0.13 C ATOM 1155 O ILE A 71 -6.919 0.654 -6.204 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.218 -0.679 -7.431 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.233 -0.744 -8.600 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.326 -1.709 -7.614 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.169 -1.803 -8.438 1.00 0.25 C ATOM 0 H ILE A 71 -2.801 1.371 -7.354 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.392 0.939 -8.225 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.693 -0.910 -6.504 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -3.786 -0.935 -9.520 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.752 0.228 -8.713 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -4.889 -2.705 -7.684 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.004 -1.670 -6.761 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -5.879 -1.490 -8.528 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.508 -1.790 -9.304 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.590 -1.602 -7.537 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.640 -2.783 -8.356 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.114 1.150 -4.961 1.00 0.11 N ATOM 1172 CA VAL A 72 -5.882 1.293 -3.728 1.00 0.11 C ATOM 1173 C VAL A 72 -6.717 2.565 -3.778 1.00 0.12 C ATOM 1174 O VAL A 72 -7.896 2.562 -3.435 1.00 0.15 O ATOM 1175 CB VAL A 72 -4.978 1.345 -2.483 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.814 1.495 -1.216 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.089 0.114 -2.401 1.00 0.12 C ATOM 0 H VAL A 72 -4.111 1.305 -4.858 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.524 0.416 -3.650 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.332 2.219 -2.572 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.156 1.530 -0.348 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.393 2.417 -1.269 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.491 0.646 -1.124 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.461 0.177 -1.512 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.710 -0.780 -2.344 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.458 0.061 -3.288 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.080 3.652 -4.207 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.732 4.952 -4.310 1.00 0.16 C ATOM 1189 C ILE A 73 -7.976 4.894 -5.193 1.00 0.19 C ATOM 1190 O ILE A 73 -9.065 5.250 -4.758 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.756 6.013 -4.870 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.805 6.488 -3.772 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.519 7.187 -5.464 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.674 7.361 -4.274 1.00 0.16 C ATOM 0 H ILE A 73 -5.101 3.655 -4.492 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.037 5.234 -3.302 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.168 5.556 -5.665 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.375 7.042 -3.026 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.383 5.618 -3.269 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -5.813 7.921 -5.852 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.157 6.834 -6.274 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.135 7.649 -4.692 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -3.043 7.657 -3.436 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.078 6.804 -4.997 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -4.085 8.251 -4.751 1.00 0.16 H new ATOM 1206 N ASP A 74 -7.799 4.470 -6.438 1.00 0.18 N ATOM 1207 CA ASP A 74 -8.907 4.369 -7.386 1.00 0.21 C ATOM 1208 C ASP A 74 -10.070 3.577 -6.792 1.00 0.19 C ATOM 1209 O ASP A 74 -11.199 4.061 -6.752 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.434 3.705 -8.681 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.377 3.955 -9.840 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -10.474 3.356 -9.854 1.00 0.55 O ATOM 1213 OD2 ASP A 74 -9.021 4.750 -10.735 1.00 0.61 O ATOM 0 H ASP A 74 -6.895 4.189 -6.818 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.256 5.378 -7.604 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.443 4.079 -8.936 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.338 2.631 -8.521 1.00 0.26 H new ATOM 1218 N TYR A 75 -9.796 2.352 -6.347 1.00 0.20 N ATOM 1219 CA TYR A 75 -10.828 1.517 -5.745 1.00 0.25 C ATOM 1220 C TYR A 75 -11.395 2.210 -4.517 1.00 0.27 C ATOM 1221 O TYR A 75 -12.569 2.056 -4.188 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.264 0.135 -5.421 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.047 -0.702 -6.666 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.023 -0.765 -7.653 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -8.874 -1.418 -6.863 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -10.841 -1.515 -8.796 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -8.683 -2.172 -8.007 1.00 1.41 C ATOM 1228 CZ TYR A 75 -9.669 -2.217 -8.969 1.00 0.99 C ATOM 1229 OH TYR A 75 -9.481 -2.966 -10.108 1.00 1.24 O ATOM 0 H TYR A 75 -8.873 1.920 -6.392 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.646 1.373 -6.451 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.318 0.246 -4.891 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -10.947 -0.386 -4.750 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -11.943 -0.215 -7.522 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -8.099 -1.386 -6.112 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.613 -1.552 -9.551 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -7.765 -2.723 -8.146 1.00 1.41 H new ATOM 0 HH TYR A 75 -8.602 -3.398 -10.074 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.549 2.976 -3.843 1.00 0.24 N ATOM 1240 CA LYS A 76 -10.968 3.743 -2.681 1.00 0.30 C ATOM 1241 C LYS A 76 -11.897 4.857 -3.150 1.00 0.37 C ATOM 1242 O LYS A 76 -12.839 5.246 -2.460 1.00 0.51 O ATOM 1243 CB LYS A 76 -9.734 4.320 -1.971 1.00 0.29 C ATOM 1244 CG LYS A 76 -10.003 5.556 -1.127 1.00 0.40 C ATOM 1245 CD LYS A 76 -9.154 6.725 -1.595 1.00 0.43 C ATOM 1246 CE LYS A 76 -8.310 7.292 -0.467 1.00 0.75 C ATOM 1247 NZ LYS A 76 -9.153 7.832 0.635 1.00 1.66 N ATOM 0 H LYS A 76 -9.563 3.082 -4.083 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.498 3.107 -1.972 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.306 3.548 -1.332 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -8.983 4.566 -2.721 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -11.059 5.820 -1.188 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -9.788 5.341 -0.080 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -8.505 6.401 -2.408 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.800 7.507 -1.995 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.655 6.513 -0.076 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.668 8.083 -0.855 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -8.633 8.581 1.135 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -10.031 8.224 0.240 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -9.384 7.068 1.301 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.611 5.353 -4.348 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.383 6.410 -4.974 1.00 0.36 C ATOM 1263 C GLU A 77 -13.713 5.874 -5.499 1.00 0.34 C ATOM 1264 O GLU A 77 -14.697 6.608 -5.594 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.562 7.012 -6.115 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.471 7.958 -5.646 1.00 0.49 C ATOM 1267 CD GLU A 77 -10.773 9.408 -5.970 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -11.451 10.070 -5.157 1.00 1.09 O ATOM 1269 OE2 GLU A 77 -10.332 9.882 -7.039 1.00 1.16 O ATOM 0 H GLU A 77 -10.828 5.027 -4.915 1.00 0.31 H new ATOM 0 HA GLU A 77 -12.605 7.180 -4.235 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -11.109 6.205 -6.690 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.230 7.548 -6.789 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -10.341 7.850 -4.569 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.526 7.675 -6.111 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.728 4.587 -5.840 1.00 0.31 N ATOM 1277 CA ARG A 78 -14.927 3.943 -6.359 1.00 0.33 C ATOM 1278 C ARG A 78 -15.760 3.339 -5.234 1.00 0.36 C ATOM 1279 O ARG A 78 -16.670 2.547 -5.479 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.542 2.849 -7.355 1.00 0.34 C ATOM 1281 CG ARG A 78 -14.116 3.381 -8.712 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.923 2.255 -9.715 1.00 0.42 C ATOM 1283 NE ARG A 78 -15.173 1.550 -9.993 1.00 1.15 N ATOM 1284 CZ ARG A 78 -15.590 1.243 -11.217 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -14.864 1.586 -12.274 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -16.735 0.595 -11.388 1.00 2.37 N ATOM 0 H ARG A 78 -12.919 3.970 -5.765 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.526 4.702 -6.861 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.729 2.257 -6.935 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.389 2.177 -7.488 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.868 4.076 -9.084 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -13.187 3.942 -8.609 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -13.521 2.661 -10.643 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -13.186 1.549 -9.331 1.00 0.42 H new ATOM 0 HE ARG A 78 -15.758 1.278 -9.203 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -13.984 2.086 -12.148 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -15.186 1.349 -13.212 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -17.297 0.331 -10.579 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -17.053 0.361 -12.328 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.440 3.719 -4.001 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.150 3.211 -2.832 1.00 0.43 C ATOM 1302 C ASP A 79 -16.064 1.688 -2.779 1.00 0.40 C ATOM 1303 O ASP A 79 -16.915 1.023 -2.189 1.00 0.47 O ATOM 1304 CB ASP A 79 -17.615 3.662 -2.859 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.334 3.386 -1.551 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -18.124 4.151 -0.585 1.00 2.13 O ATOM 1307 OD2 ASP A 79 -19.108 2.408 -1.493 1.00 2.00 O ATOM 0 H ASP A 79 -14.692 4.378 -3.785 1.00 0.38 H new ATOM 0 HA ASP A 79 -15.679 3.617 -1.937 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -17.659 4.729 -3.075 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.134 3.151 -3.670 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.023 1.146 -3.403 1.00 0.32 N ATOM 1313 CA LEU A 80 -14.808 -0.294 -3.435 1.00 0.32 C ATOM 1314 C LEU A 80 -14.155 -0.766 -2.142 1.00 0.31 C ATOM 1315 O LEU A 80 -14.061 -1.966 -1.878 1.00 0.50 O ATOM 1316 CB LEU A 80 -13.949 -0.676 -4.642 1.00 0.29 C ATOM 1317 CG LEU A 80 -14.677 -1.490 -5.708 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.289 -0.569 -6.746 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -13.726 -2.469 -6.366 1.00 0.39 C ATOM 0 H LEU A 80 -14.312 1.687 -3.896 1.00 0.32 H new ATOM 0 HA LEU A 80 -15.776 -0.787 -3.529 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.563 0.235 -5.100 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.088 -1.246 -4.293 1.00 0.29 H new ATOM 0 HG LEU A 80 -15.477 -2.054 -5.229 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -15.805 -1.163 -7.500 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.000 0.102 -6.263 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.502 0.017 -7.221 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.260 -3.042 -7.124 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -12.908 -1.922 -6.835 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -13.325 -3.148 -5.614 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.707 0.194 -1.341 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.075 -0.096 -0.060 1.00 0.14 C ATOM 1333 C ILE A 81 -13.982 0.340 1.082 1.00 0.13 C ATOM 1334 O ILE A 81 -14.538 1.438 1.057 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.717 0.621 0.067 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.755 0.112 -1.009 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.129 0.411 1.459 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.431 0.846 -1.044 1.00 0.17 C ATOM 0 H ILE A 81 -13.771 1.188 -1.559 1.00 0.18 H new ATOM 0 HA ILE A 81 -12.907 -1.172 -0.008 1.00 0.14 H new ATOM 0 HB ILE A 81 -11.869 1.691 -0.078 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.567 -0.949 -0.842 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.235 0.201 -1.984 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.170 0.924 1.530 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.812 0.813 2.207 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -10.984 -0.655 1.636 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.804 0.428 -1.832 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.606 1.903 -1.242 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -8.928 0.735 -0.083 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.128 -0.522 2.078 1.00 0.13 N ATOM 1351 CA ASP A 82 -14.973 -0.222 3.221 1.00 0.13 C ATOM 1352 C ASP A 82 -14.511 1.052 3.910 1.00 0.13 C ATOM 1353 O ASP A 82 -13.317 1.250 4.137 1.00 0.13 O ATOM 1354 CB ASP A 82 -14.954 -1.381 4.215 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.196 -1.418 5.082 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.325 -0.555 5.975 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -17.042 -2.312 4.868 1.00 0.47 O ATOM 0 H ASP A 82 -13.672 -1.434 2.116 1.00 0.13 H new ATOM 0 HA ASP A 82 -15.992 -0.077 2.861 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.866 -2.321 3.671 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.073 -1.297 4.851 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.464 1.912 4.241 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.161 3.168 4.906 1.00 0.16 C ATOM 1364 C ARG A 83 -14.532 2.912 6.267 1.00 0.18 C ATOM 1365 O ARG A 83 -13.992 3.824 6.893 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.422 4.024 5.040 1.00 0.19 C ATOM 1367 CG ARG A 83 -16.888 4.619 3.719 1.00 0.33 C ATOM 1368 CD ARG A 83 -15.884 5.626 3.175 1.00 0.63 C ATOM 1369 NE ARG A 83 -16.151 5.978 1.783 1.00 0.52 N ATOM 1370 CZ ARG A 83 -17.073 6.858 1.406 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.823 7.470 2.313 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -17.247 7.127 0.119 1.00 1.48 N ATOM 0 H ARG A 83 -16.456 1.761 4.058 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.443 3.717 4.297 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.223 3.415 5.459 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.231 4.831 5.747 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -17.035 3.821 2.991 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.853 5.105 3.858 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -15.909 6.528 3.787 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -14.878 5.214 3.257 1.00 0.63 H new ATOM 0 HE ARG A 83 -15.598 5.522 1.058 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -17.693 7.266 3.304 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.529 8.145 2.019 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -16.673 6.658 -0.582 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -17.955 7.802 -0.170 1.00 1.48 H new ATOM 1386 N SER A 84 -14.612 1.666 6.724 1.00 0.17 N ATOM 1387 CA SER A 84 -14.030 1.290 8.003 1.00 0.20 C ATOM 1388 C SER A 84 -12.517 1.439 7.943 1.00 0.19 C ATOM 1389 O SER A 84 -11.889 1.908 8.891 1.00 0.23 O ATOM 1390 CB SER A 84 -14.406 -0.150 8.364 1.00 0.22 C ATOM 1391 OG SER A 84 -15.803 -0.279 8.559 1.00 1.09 O ATOM 0 H SER A 84 -15.073 0.903 6.228 1.00 0.17 H new ATOM 0 HA SER A 84 -14.424 1.950 8.775 1.00 0.20 H new ATOM 0 HB2 SER A 84 -14.083 -0.823 7.570 1.00 0.22 H new ATOM 0 HB3 SER A 84 -13.880 -0.450 9.270 1.00 0.22 H new ATOM 0 HG SER A 84 -16.222 -0.586 7.728 1.00 1.09 H new ATOM 1397 N ALA A 85 -11.940 1.040 6.812 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.499 1.141 6.612 1.00 0.16 C ATOM 1399 C ALA A 85 -10.056 2.589 6.734 1.00 0.19 C ATOM 1400 O ALA A 85 -9.064 2.895 7.398 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.107 0.589 5.248 1.00 0.14 C ATOM 0 H ALA A 85 -12.449 0.644 6.021 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.001 0.550 7.381 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.028 0.673 5.118 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.400 -0.459 5.182 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.612 1.157 4.467 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.809 3.470 6.084 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.521 4.905 6.102 1.00 0.25 C ATOM 1409 C TYR A 86 -10.156 5.377 7.507 1.00 0.31 C ATOM 1410 O TYR A 86 -11.081 5.566 8.327 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.728 5.700 5.594 1.00 0.28 C ATOM 1412 CG TYR A 86 -11.997 5.547 4.114 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.207 4.297 3.554 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -12.055 6.656 3.280 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.467 4.150 2.206 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.312 6.519 1.930 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.518 5.264 1.398 1.00 0.34 C ATOM 1418 OH TYR A 86 -12.780 5.121 0.058 1.00 0.40 O ATOM 1419 OXT TYR A 86 -8.949 5.554 7.776 1.00 1.02 O ATOM 0 H TYR A 86 -11.629 3.216 5.534 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.670 5.079 5.444 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.614 5.386 6.146 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.572 6.756 5.816 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -12.167 3.421 4.184 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -11.897 7.641 3.694 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.629 3.168 1.788 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -12.351 7.391 1.294 1.00 0.44 H new ATOM 0 HH TYR A 86 -12.909 6.004 -0.346 1.00 0.40 H new TER 1429 TYR A 86