USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 699 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 62 ASN :FLIP amide:sc= -1.01 F(o=-12!,f=-8.4) USER MOD Set 1.2: A 63 HIS : +bothHN:sc= -7.37! C(o=-8.4!,f=-13!) USER MOD Set 2.1: A 34 GLN : amide:sc= -4.61! C(o=-4.6!,f=-11!) USER MOD Set 2.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 20 THR OG1 : rot -170:sc= -2.79! USER MOD Set 3.2: A 23 GLN : amide:sc= -5! C(o=-7.8!,f=-18!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0135 (180deg=-0.0135) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0348 USER MOD Single : A 3 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.17) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.87) USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= -0.0249 (180deg=-0.545) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -37:sc= -1.04 USER MOD Single : A 25 TYR OH : rot -124:sc= 1.14 USER MOD Single : A 33 GLN : amide:sc= -0.246 K(o=-0.25,f=-3.1!) USER MOD Single : A 38 SER OG : rot 160:sc= -0.259 USER MOD Single : A 44 HIS : no HD1:sc= -0.236 X(o=-0.24,f=0) USER MOD Single : A 46 THR OG1 : rot 41:sc= -5.81! USER MOD Single : A 47 SER OG : rot 180:sc= -0.106 USER MOD Single : A 52 THR OG1 : rot 170:sc= -4.68! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.687 X(o=-0.69,f=-0.76) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= -0.307 (180deg=-0.307) USER MOD Single : A 61 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -125:sc= -1.37 (180deg=-1.64!) USER MOD Single : A 67 THR OG1 : rot -14:sc= -3.36! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 72 ASN : amide:sc= -0.0431 X(o=-0.043,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 158:sc= -0.0164 (180deg=-0.236) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= 0.113 K(o=0.11,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.086 4.124 -21.708 1.00 0.00 N ATOM 2 CA GLY A 1 21.460 4.616 -20.310 1.00 0.00 C ATOM 3 C GLY A 1 22.862 4.460 -19.831 1.00 0.00 C ATOM 4 O GLY A 1 23.157 4.655 -18.668 1.00 0.00 O ATOM 0 H1 GLY A 1 20.077 4.308 -21.882 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.657 4.626 -22.417 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.269 3.103 -21.777 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.213 5.676 -20.259 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.812 4.104 -19.599 1.00 0.00 H new ATOM 10 N SER A 2 23.762 4.106 -20.708 1.00 0.00 N ATOM 11 CA SER A 2 25.182 3.934 -20.289 1.00 0.00 C ATOM 12 C SER A 2 25.760 5.290 -19.880 1.00 0.00 C ATOM 13 O SER A 2 26.364 5.428 -18.835 1.00 0.00 O ATOM 14 CB SER A 2 25.992 3.364 -21.454 1.00 0.00 C ATOM 15 OG SER A 2 25.760 4.150 -22.615 1.00 0.00 O ATOM 0 H SER A 2 23.576 3.929 -21.695 1.00 0.00 H new ATOM 0 HA SER A 2 25.231 3.248 -19.443 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.054 3.363 -21.208 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.706 2.328 -21.639 1.00 0.00 H new ATOM 0 HG SER A 2 26.279 3.789 -23.364 1.00 0.00 H new ATOM 21 N HIS A 3 25.582 6.293 -20.697 1.00 0.00 N ATOM 22 CA HIS A 3 26.122 7.639 -20.353 1.00 0.00 C ATOM 23 C HIS A 3 25.317 8.715 -21.084 1.00 0.00 C ATOM 24 O HIS A 3 24.482 8.422 -21.917 1.00 0.00 O ATOM 25 CB HIS A 3 27.591 7.722 -20.777 1.00 0.00 C ATOM 26 CG HIS A 3 28.471 7.631 -19.560 1.00 0.00 C ATOM 27 ND1 HIS A 3 29.671 6.936 -19.566 1.00 0.00 N ATOM 28 CD2 HIS A 3 28.341 8.141 -18.292 1.00 0.00 C ATOM 29 CE1 HIS A 3 30.210 7.045 -18.339 1.00 0.00 C ATOM 30 NE2 HIS A 3 29.440 7.769 -17.522 1.00 0.00 N ATOM 0 H HIS A 3 25.086 6.238 -21.587 1.00 0.00 H new ATOM 0 HA HIS A 3 26.045 7.798 -19.277 1.00 0.00 H new ATOM 0 HB2 HIS A 3 27.827 6.915 -21.470 1.00 0.00 H new ATOM 0 HB3 HIS A 3 27.776 8.658 -21.303 1.00 0.00 H new ATOM 0 HD2 HIS A 3 27.512 8.740 -17.944 1.00 0.00 H new ATOM 0 HE1 HIS A 3 31.151 6.601 -18.049 1.00 0.00 H new ATOM 0 HE2 HIS A 3 29.619 8.000 -16.545 1.00 0.00 H new ATOM 38 N MET A 4 25.559 9.961 -20.779 1.00 0.00 N ATOM 39 CA MET A 4 24.807 11.055 -21.454 1.00 0.00 C ATOM 40 C MET A 4 23.320 10.938 -21.110 1.00 0.00 C ATOM 41 O MET A 4 22.620 10.087 -21.620 1.00 0.00 O ATOM 42 CB MET A 4 24.988 10.946 -22.970 1.00 0.00 C ATOM 43 CG MET A 4 26.393 10.425 -23.282 1.00 0.00 C ATOM 44 SD MET A 4 26.902 11.012 -24.917 1.00 0.00 S ATOM 45 CE MET A 4 26.702 9.441 -25.792 1.00 0.00 C ATOM 0 H MET A 4 26.246 10.268 -20.091 1.00 0.00 H new ATOM 0 HA MET A 4 25.187 12.018 -21.113 1.00 0.00 H new ATOM 0 HB2 MET A 4 24.239 10.274 -23.389 1.00 0.00 H new ATOM 0 HB3 MET A 4 24.839 11.920 -23.435 1.00 0.00 H new ATOM 0 HG2 MET A 4 27.097 10.769 -22.524 1.00 0.00 H new ATOM 0 HG3 MET A 4 26.403 9.335 -23.255 1.00 0.00 H new ATOM 0 HE1 MET A 4 26.967 9.572 -26.841 1.00 0.00 H new ATOM 0 HE2 MET A 4 27.353 8.690 -25.345 1.00 0.00 H new ATOM 0 HE3 MET A 4 25.665 9.113 -25.718 1.00 0.00 H new ATOM 55 N SER A 5 22.833 11.789 -20.248 1.00 0.00 N ATOM 56 CA SER A 5 21.392 11.725 -19.871 1.00 0.00 C ATOM 57 C SER A 5 20.758 13.107 -20.045 1.00 0.00 C ATOM 58 O SER A 5 20.447 13.524 -21.143 1.00 0.00 O ATOM 59 CB SER A 5 21.268 11.287 -18.411 1.00 0.00 C ATOM 60 OG SER A 5 21.743 9.953 -18.281 1.00 0.00 O ATOM 0 H SER A 5 23.370 12.525 -19.789 1.00 0.00 H new ATOM 0 HA SER A 5 20.879 11.007 -20.511 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.842 11.954 -17.769 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.229 11.349 -18.087 1.00 0.00 H new ATOM 0 HG SER A 5 21.667 9.668 -17.346 1.00 0.00 H new ATOM 66 N ASP A 6 20.564 13.823 -18.971 1.00 0.00 N ATOM 67 CA ASP A 6 19.950 15.178 -19.076 1.00 0.00 C ATOM 68 C ASP A 6 20.576 16.105 -18.032 1.00 0.00 C ATOM 69 O ASP A 6 21.630 15.829 -17.494 1.00 0.00 O ATOM 70 CB ASP A 6 18.443 15.076 -18.830 1.00 0.00 C ATOM 71 CG ASP A 6 17.746 14.609 -20.110 1.00 0.00 C ATOM 72 OD1 ASP A 6 17.940 15.246 -21.132 1.00 0.00 O ATOM 73 OD2 ASP A 6 17.031 13.623 -20.045 1.00 0.00 O ATOM 0 H ASP A 6 20.804 13.528 -18.025 1.00 0.00 H new ATOM 0 HA ASP A 6 20.129 15.581 -20.073 1.00 0.00 H new ATOM 0 HB2 ASP A 6 18.243 14.376 -18.019 1.00 0.00 H new ATOM 0 HB3 ASP A 6 18.048 16.044 -18.521 1.00 0.00 H new ATOM 78 N GLY A 7 19.935 17.205 -17.741 1.00 0.00 N ATOM 79 CA GLY A 7 20.497 18.148 -16.732 1.00 0.00 C ATOM 80 C GLY A 7 19.926 17.822 -15.352 1.00 0.00 C ATOM 81 O GLY A 7 18.802 17.379 -15.222 1.00 0.00 O ATOM 0 H GLY A 7 19.049 17.491 -18.157 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.584 18.072 -16.714 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.254 19.175 -17.004 1.00 0.00 H new ATOM 85 N LEU A 8 20.695 18.035 -14.319 1.00 0.00 N ATOM 86 CA LEU A 8 20.201 17.736 -12.948 1.00 0.00 C ATOM 87 C LEU A 8 18.872 18.462 -12.696 1.00 0.00 C ATOM 88 O LEU A 8 17.935 17.868 -12.202 1.00 0.00 O ATOM 89 CB LEU A 8 21.244 18.183 -11.926 1.00 0.00 C ATOM 90 CG LEU A 8 22.074 16.976 -11.492 1.00 0.00 C ATOM 91 CD1 LEU A 8 21.229 16.074 -10.588 1.00 0.00 C ATOM 92 CD2 LEU A 8 22.511 16.189 -12.731 1.00 0.00 C ATOM 0 H LEU A 8 21.645 18.404 -14.367 1.00 0.00 H new ATOM 0 HA LEU A 8 20.035 16.663 -12.850 1.00 0.00 H new ATOM 0 HB2 LEU A 8 21.890 18.947 -12.359 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.754 18.632 -11.062 1.00 0.00 H new ATOM 0 HG LEU A 8 22.954 17.316 -10.946 1.00 0.00 H new ATOM 0 HD11 LEU A 8 21.821 15.213 -10.278 1.00 0.00 H new ATOM 0 HD12 LEU A 8 20.914 16.634 -9.707 1.00 0.00 H new ATOM 0 HD13 LEU A 8 20.350 15.733 -11.134 1.00 0.00 H new ATOM 0 HD21 LEU A 8 23.104 15.327 -12.424 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.630 15.849 -13.275 1.00 0.00 H new ATOM 0 HD23 LEU A 8 23.111 16.830 -13.377 1.00 0.00 H new ATOM 104 N PRO A 9 18.826 19.724 -13.043 1.00 0.00 N ATOM 105 CA PRO A 9 17.558 20.456 -12.817 1.00 0.00 C ATOM 106 C PRO A 9 16.436 19.821 -13.642 1.00 0.00 C ATOM 107 O PRO A 9 15.268 20.071 -13.418 1.00 0.00 O ATOM 108 CB PRO A 9 17.812 21.894 -13.282 1.00 0.00 C ATOM 109 CG PRO A 9 19.264 21.969 -13.793 1.00 0.00 C ATOM 110 CD PRO A 9 19.896 20.585 -13.600 1.00 0.00 C ATOM 0 HA PRO A 9 17.254 20.425 -11.771 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.113 22.170 -14.072 1.00 0.00 H new ATOM 0 HB3 PRO A 9 17.658 22.595 -12.461 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.286 22.256 -14.844 1.00 0.00 H new ATOM 0 HG3 PRO A 9 19.824 22.726 -13.244 1.00 0.00 H new ATOM 0 HD2 PRO A 9 20.264 20.188 -14.546 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.749 20.636 -12.923 1.00 0.00 H new ATOM 118 N ASN A 10 16.783 19.003 -14.596 1.00 0.00 N ATOM 119 CA ASN A 10 15.741 18.351 -15.439 1.00 0.00 C ATOM 120 C ASN A 10 15.191 17.118 -14.716 1.00 0.00 C ATOM 121 O ASN A 10 14.484 16.315 -15.291 1.00 0.00 O ATOM 122 CB ASN A 10 16.362 17.925 -16.770 1.00 0.00 C ATOM 123 CG ASN A 10 15.451 18.355 -17.922 1.00 0.00 C ATOM 124 OD1 ASN A 10 14.250 18.435 -17.765 1.00 0.00 O ATOM 125 ND2 ASN A 10 15.978 18.639 -19.083 1.00 0.00 N ATOM 0 H ASN A 10 17.745 18.757 -14.829 1.00 0.00 H new ATOM 0 HA ASN A 10 14.929 19.055 -15.621 1.00 0.00 H new ATOM 0 HB2 ASN A 10 17.347 18.377 -16.884 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.503 16.844 -16.788 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.380 18.928 -19.857 1.00 0.00 H new ATOM 0 HD22 ASN A 10 16.987 18.572 -19.215 1.00 0.00 H new ATOM 132 N LYS A 11 15.508 16.960 -13.460 1.00 0.00 N ATOM 133 CA LYS A 11 15.001 15.775 -12.711 1.00 0.00 C ATOM 134 C LYS A 11 14.558 16.203 -11.309 1.00 0.00 C ATOM 135 O LYS A 11 15.319 16.775 -10.554 1.00 0.00 O ATOM 136 CB LYS A 11 16.111 14.729 -12.598 1.00 0.00 C ATOM 137 CG LYS A 11 15.498 13.327 -12.612 1.00 0.00 C ATOM 138 CD LYS A 11 15.371 12.837 -14.056 1.00 0.00 C ATOM 139 CE LYS A 11 15.092 11.332 -14.063 1.00 0.00 C ATOM 140 NZ LYS A 11 13.978 11.028 -13.120 1.00 0.00 N ATOM 0 H LYS A 11 16.094 17.598 -12.921 1.00 0.00 H new ATOM 0 HA LYS A 11 14.151 15.348 -13.244 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.813 14.838 -13.425 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.676 14.881 -11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.121 12.641 -12.038 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.518 13.343 -12.135 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.565 13.369 -14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.288 13.050 -14.605 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.830 11.005 -15.069 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.988 10.784 -13.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.541 10.121 -13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.350 10.967 -12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.265 11.783 -13.170 1.00 0.00 H new ATOM 154 N LYS A 12 13.333 15.925 -10.955 1.00 0.00 N ATOM 155 CA LYS A 12 12.837 16.310 -9.604 1.00 0.00 C ATOM 156 C LYS A 12 11.698 15.373 -9.197 1.00 0.00 C ATOM 157 O LYS A 12 11.101 14.713 -10.024 1.00 0.00 O ATOM 158 CB LYS A 12 12.323 17.751 -9.638 1.00 0.00 C ATOM 159 CG LYS A 12 11.675 18.029 -10.996 1.00 0.00 C ATOM 160 CD LYS A 12 11.048 19.426 -10.990 1.00 0.00 C ATOM 161 CE LYS A 12 9.526 19.305 -11.093 1.00 0.00 C ATOM 162 NZ LYS A 12 8.935 20.658 -11.291 1.00 0.00 N ATOM 0 H LYS A 12 12.653 15.446 -11.545 1.00 0.00 H new ATOM 0 HA LYS A 12 13.650 16.233 -8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.599 17.909 -8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.145 18.446 -9.466 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.421 17.958 -11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.913 17.278 -11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.320 19.954 -10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.434 20.013 -11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.257 18.653 -11.924 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.124 18.849 -10.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.900 20.578 -11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.181 21.266 -10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.310 21.076 -12.166 1.00 0.00 H new ATOM 176 N ARG A 13 11.391 15.305 -7.930 1.00 0.00 N ATOM 177 CA ARG A 13 10.290 14.406 -7.480 1.00 0.00 C ATOM 178 C ARG A 13 10.527 13.001 -8.040 1.00 0.00 C ATOM 179 O ARG A 13 9.784 12.518 -8.871 1.00 0.00 O ATOM 180 CB ARG A 13 8.953 14.943 -7.994 1.00 0.00 C ATOM 181 CG ARG A 13 8.782 16.396 -7.546 1.00 0.00 C ATOM 182 CD ARG A 13 8.250 16.429 -6.113 1.00 0.00 C ATOM 183 NE ARG A 13 6.778 16.661 -6.134 1.00 0.00 N ATOM 184 CZ ARG A 13 6.064 16.433 -5.066 1.00 0.00 C ATOM 185 NH1 ARG A 13 6.638 16.000 -3.977 1.00 0.00 N ATOM 186 NH2 ARG A 13 4.776 16.638 -5.087 1.00 0.00 N ATOM 0 H ARG A 13 11.853 15.831 -7.189 1.00 0.00 H new ATOM 0 HA ARG A 13 10.269 14.367 -6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.917 14.880 -9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.133 14.334 -7.612 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.736 16.920 -7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.093 16.915 -8.213 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.473 15.489 -5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.745 17.219 -5.548 1.00 0.00 H new ATOM 0 HE ARG A 13 6.328 16.999 -6.985 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.645 15.840 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.079 15.822 -3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.327 16.976 -5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.218 16.460 -4.252 1.00 0.00 H new ATOM 200 N LYS A 14 11.562 12.346 -7.592 1.00 0.00 N ATOM 201 CA LYS A 14 11.861 10.976 -8.096 1.00 0.00 C ATOM 202 C LYS A 14 10.622 10.088 -7.960 1.00 0.00 C ATOM 203 O LYS A 14 10.404 9.190 -8.748 1.00 0.00 O ATOM 204 CB LYS A 14 13.007 10.376 -7.279 1.00 0.00 C ATOM 205 CG LYS A 14 14.337 10.967 -7.753 1.00 0.00 C ATOM 206 CD LYS A 14 15.426 10.674 -6.719 1.00 0.00 C ATOM 207 CE LYS A 14 16.712 11.408 -7.107 1.00 0.00 C ATOM 208 NZ LYS A 14 17.846 10.441 -7.135 1.00 0.00 N ATOM 0 H LYS A 14 12.216 12.702 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 14 12.146 11.034 -9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.861 10.586 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.018 9.292 -7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.613 10.541 -8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.238 12.043 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.098 10.993 -5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.610 9.601 -6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.595 11.877 -8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.918 12.206 -6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.720 10.939 -7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.961 10.014 -6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.649 9.695 -7.832 1.00 0.00 H new ATOM 222 N ARG A 15 9.810 10.325 -6.966 1.00 0.00 N ATOM 223 CA ARG A 15 8.594 9.483 -6.788 1.00 0.00 C ATOM 224 C ARG A 15 8.969 8.013 -6.973 1.00 0.00 C ATOM 225 O ARG A 15 9.039 7.519 -8.081 1.00 0.00 O ATOM 226 CB ARG A 15 7.540 9.867 -7.830 1.00 0.00 C ATOM 227 CG ARG A 15 6.329 8.934 -7.705 1.00 0.00 C ATOM 228 CD ARG A 15 5.589 9.222 -6.397 1.00 0.00 C ATOM 229 NE ARG A 15 4.135 9.452 -6.673 1.00 0.00 N ATOM 230 CZ ARG A 15 3.748 10.270 -7.616 1.00 0.00 C ATOM 231 NH1 ARG A 15 4.622 10.991 -8.264 1.00 0.00 N ATOM 232 NH2 ARG A 15 2.477 10.389 -7.890 1.00 0.00 N ATOM 0 H ARG A 15 9.935 11.062 -6.272 1.00 0.00 H new ATOM 0 HA ARG A 15 8.189 9.641 -5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.231 10.902 -7.685 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.963 9.798 -8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.659 9.077 -8.552 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.655 7.894 -7.728 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.709 8.385 -5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.019 10.098 -5.911 1.00 0.00 H new ATOM 0 HE ARG A 15 3.435 8.962 -6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.613 10.918 -8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.314 11.628 -8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.790 9.845 -7.369 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.171 11.026 -8.625 1.00 0.00 H new ATOM 246 N ARG A 16 9.201 7.305 -5.905 1.00 0.00 N ATOM 247 CA ARG A 16 9.558 5.873 -6.037 1.00 0.00 C ATOM 248 C ARG A 16 8.375 5.025 -5.571 1.00 0.00 C ATOM 249 O ARG A 16 7.446 5.519 -4.964 1.00 0.00 O ATOM 250 CB ARG A 16 10.792 5.582 -5.183 1.00 0.00 C ATOM 251 CG ARG A 16 10.722 4.156 -4.635 1.00 0.00 C ATOM 252 CD ARG A 16 12.024 3.822 -3.902 1.00 0.00 C ATOM 253 NE ARG A 16 11.722 3.280 -2.538 1.00 0.00 N ATOM 254 CZ ARG A 16 10.889 3.888 -1.735 1.00 0.00 C ATOM 255 NH1 ARG A 16 10.384 5.047 -2.061 1.00 0.00 N ATOM 256 NH2 ARG A 16 10.587 3.348 -0.586 1.00 0.00 N ATOM 0 H ARG A 16 9.158 7.658 -4.949 1.00 0.00 H new ATOM 0 HA ARG A 16 9.784 5.632 -7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.696 5.708 -5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.852 6.294 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.875 4.058 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.560 3.450 -5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.595 3.091 -4.474 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.643 4.715 -3.818 1.00 0.00 H new ATOM 0 HE ARG A 16 12.175 2.420 -2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.639 5.483 -2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.734 5.516 -1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.001 2.455 -0.318 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.937 3.819 0.044 1.00 0.00 H new ATOM 270 N VAL A 17 8.392 3.758 -5.868 1.00 0.00 N ATOM 271 CA VAL A 17 7.265 2.892 -5.465 1.00 0.00 C ATOM 272 C VAL A 17 7.561 1.442 -5.854 1.00 0.00 C ATOM 273 O VAL A 17 8.419 1.169 -6.670 1.00 0.00 O ATOM 274 CB VAL A 17 6.037 3.390 -6.196 1.00 0.00 C ATOM 275 CG1 VAL A 17 6.375 3.564 -7.677 1.00 0.00 C ATOM 276 CG2 VAL A 17 4.890 2.394 -6.028 1.00 0.00 C ATOM 0 H VAL A 17 9.142 3.288 -6.374 1.00 0.00 H new ATOM 0 HA VAL A 17 7.110 2.927 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 17 5.725 4.348 -5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.495 3.923 -8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.184 4.287 -7.783 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.687 2.606 -8.094 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.010 2.760 -6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.184 1.428 -6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.657 2.283 -4.969 1.00 0.00 H new ATOM 286 N LEU A 18 6.862 0.506 -5.270 1.00 0.00 N ATOM 287 CA LEU A 18 7.110 -0.925 -5.601 1.00 0.00 C ATOM 288 C LEU A 18 5.922 -1.779 -5.168 1.00 0.00 C ATOM 289 O LEU A 18 4.835 -1.667 -5.697 1.00 0.00 O ATOM 290 CB LEU A 18 8.391 -1.417 -4.910 1.00 0.00 C ATOM 291 CG LEU A 18 8.554 -0.772 -3.526 1.00 0.00 C ATOM 292 CD1 LEU A 18 8.103 -1.745 -2.436 1.00 0.00 C ATOM 293 CD2 LEU A 18 10.028 -0.427 -3.320 1.00 0.00 C ATOM 0 H LEU A 18 6.131 0.671 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 18 7.236 -1.016 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.359 -2.502 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.256 -1.180 -5.529 1.00 0.00 H new ATOM 0 HG LEU A 18 7.943 0.129 -3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.223 -1.277 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.055 -2.002 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.709 -2.650 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.161 0.032 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.626 -1.336 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.350 0.269 -4.094 1.00 0.00 H new ATOM 305 N PHE A 19 6.140 -2.639 -4.224 1.00 0.00 N ATOM 306 CA PHE A 19 5.050 -3.543 -3.731 1.00 0.00 C ATOM 307 C PHE A 19 4.622 -4.490 -4.849 1.00 0.00 C ATOM 308 O PHE A 19 4.541 -4.117 -6.003 1.00 0.00 O ATOM 309 CB PHE A 19 3.829 -2.729 -3.273 1.00 0.00 C ATOM 310 CG PHE A 19 4.195 -1.842 -2.104 1.00 0.00 C ATOM 311 CD1 PHE A 19 4.809 -2.386 -0.968 1.00 0.00 C ATOM 312 CD2 PHE A 19 3.908 -0.472 -2.157 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.139 -1.559 0.113 1.00 0.00 C ATOM 314 CE2 PHE A 19 4.238 0.354 -1.074 1.00 0.00 C ATOM 315 CZ PHE A 19 4.854 -0.190 0.059 1.00 0.00 C ATOM 0 H PHE A 19 7.039 -2.764 -3.759 1.00 0.00 H new ATOM 0 HA PHE A 19 5.436 -4.111 -2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.460 -2.120 -4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.021 -3.403 -2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.028 -3.443 -0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.433 -0.053 -3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.613 -1.978 0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.017 1.410 -1.114 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.110 0.447 0.892 1.00 0.00 H new ATOM 325 N THR A 20 4.341 -5.717 -4.508 1.00 0.00 N ATOM 326 CA THR A 20 3.906 -6.702 -5.539 1.00 0.00 C ATOM 327 C THR A 20 2.563 -6.238 -6.136 1.00 0.00 C ATOM 328 O THR A 20 1.643 -5.961 -5.392 1.00 0.00 O ATOM 329 CB THR A 20 3.703 -8.063 -4.869 1.00 0.00 C ATOM 330 OG1 THR A 20 2.559 -8.008 -4.030 1.00 0.00 O ATOM 331 CG2 THR A 20 4.936 -8.413 -4.037 1.00 0.00 C ATOM 0 H THR A 20 4.394 -6.082 -3.557 1.00 0.00 H new ATOM 0 HA THR A 20 4.659 -6.779 -6.323 1.00 0.00 H new ATOM 0 HB THR A 20 3.557 -8.827 -5.632 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.516 -8.819 -3.482 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.790 -9.382 -3.560 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.812 -8.455 -4.684 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.087 -7.652 -3.272 1.00 0.00 H new ATOM 339 N LYS A 21 2.394 -6.153 -7.448 1.00 0.00 N ATOM 340 CA LYS A 21 1.067 -5.722 -7.958 1.00 0.00 C ATOM 341 C LYS A 21 0.020 -6.475 -7.149 1.00 0.00 C ATOM 342 O LYS A 21 -1.135 -6.110 -7.092 1.00 0.00 O ATOM 343 CB LYS A 21 0.932 -6.076 -9.442 1.00 0.00 C ATOM 344 CG LYS A 21 2.258 -5.812 -10.156 1.00 0.00 C ATOM 345 CD LYS A 21 3.063 -7.110 -10.237 1.00 0.00 C ATOM 346 CE LYS A 21 4.558 -6.787 -10.208 1.00 0.00 C ATOM 347 NZ LYS A 21 5.342 -8.045 -10.369 1.00 0.00 N ATOM 0 H LYS A 21 3.100 -6.359 -8.154 1.00 0.00 H new ATOM 0 HA LYS A 21 0.942 -4.644 -7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.651 -7.123 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.138 -5.483 -9.897 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.073 -5.424 -11.158 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.827 -5.052 -9.620 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.805 -7.763 -9.403 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.814 -7.648 -11.152 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.805 -6.087 -11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.818 -6.302 -9.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.358 -7.826 -10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.114 -8.698 -9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.102 -8.490 -11.278 1.00 0.00 H new ATOM 361 N ALA A 22 0.456 -7.521 -6.505 1.00 0.00 N ATOM 362 CA ALA A 22 -0.441 -8.340 -5.653 1.00 0.00 C ATOM 363 C ALA A 22 -0.716 -7.571 -4.359 1.00 0.00 C ATOM 364 O ALA A 22 -1.823 -7.155 -4.089 1.00 0.00 O ATOM 365 CB ALA A 22 0.282 -9.645 -5.330 1.00 0.00 C ATOM 0 H ALA A 22 1.422 -7.848 -6.537 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.383 -8.549 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.355 -10.269 -4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.509 -10.174 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.209 -9.426 -4.800 1.00 0.00 H new ATOM 371 N GLN A 23 0.292 -7.354 -3.566 1.00 0.00 N ATOM 372 CA GLN A 23 0.085 -6.577 -2.317 1.00 0.00 C ATOM 373 C GLN A 23 -0.776 -5.378 -2.659 1.00 0.00 C ATOM 374 O GLN A 23 -1.973 -5.358 -2.462 1.00 0.00 O ATOM 375 CB GLN A 23 1.428 -6.053 -1.827 1.00 0.00 C ATOM 376 CG GLN A 23 2.276 -7.210 -1.297 1.00 0.00 C ATOM 377 CD GLN A 23 3.757 -6.841 -1.392 1.00 0.00 C ATOM 378 OE1 GLN A 23 4.161 -6.122 -2.284 1.00 0.00 O ATOM 379 NE2 GLN A 23 4.591 -7.306 -0.502 1.00 0.00 N ATOM 0 H GLN A 23 1.245 -7.679 -3.727 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.379 -7.204 -1.555 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.951 -5.550 -2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.275 -5.313 -1.041 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.010 -7.426 -0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.078 -8.114 -1.873 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.253 -7.910 0.247 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.581 -7.066 -0.556 1.00 0.00 H new ATOM 388 N THR A 24 -0.140 -4.386 -3.196 1.00 0.00 N ATOM 389 CA THR A 24 -0.840 -3.154 -3.602 1.00 0.00 C ATOM 390 C THR A 24 -2.245 -3.484 -4.108 1.00 0.00 C ATOM 391 O THR A 24 -3.147 -2.682 -3.992 1.00 0.00 O ATOM 392 CB THR A 24 -0.028 -2.519 -4.719 1.00 0.00 C ATOM 393 OG1 THR A 24 1.184 -2.004 -4.184 1.00 0.00 O ATOM 394 CG2 THR A 24 -0.823 -1.390 -5.370 1.00 0.00 C ATOM 0 H THR A 24 0.864 -4.381 -3.374 1.00 0.00 H new ATOM 0 HA THR A 24 -0.937 -2.475 -2.755 1.00 0.00 H new ATOM 0 HB THR A 24 0.195 -3.273 -5.474 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.017 -1.635 -3.292 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.232 -0.942 -6.169 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.749 -1.789 -5.784 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.057 -0.632 -4.623 1.00 0.00 H new ATOM 402 N TYR A 25 -2.451 -4.652 -4.669 1.00 0.00 N ATOM 403 CA TYR A 25 -3.809 -4.984 -5.165 1.00 0.00 C ATOM 404 C TYR A 25 -4.718 -5.244 -3.957 1.00 0.00 C ATOM 405 O TYR A 25 -5.468 -4.380 -3.548 1.00 0.00 O ATOM 406 CB TYR A 25 -3.734 -6.204 -6.089 1.00 0.00 C ATOM 407 CG TYR A 25 -4.850 -7.090 -5.893 1.00 0.00 C ATOM 408 CD1 TYR A 25 -6.080 -6.729 -6.372 1.00 0.00 C ATOM 409 CD2 TYR A 25 -4.627 -8.303 -5.306 1.00 0.00 C ATOM 410 CE1 TYR A 25 -7.128 -7.595 -6.250 1.00 0.00 C ATOM 411 CE2 TYR A 25 -5.660 -9.190 -5.183 1.00 0.00 C ATOM 412 CZ TYR A 25 -6.935 -8.848 -5.653 1.00 0.00 C ATOM 413 OH TYR A 25 -7.985 -9.736 -5.533 1.00 0.00 O ATOM 0 H TYR A 25 -1.744 -5.375 -4.800 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.223 -4.158 -5.743 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.710 -5.873 -7.127 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.805 -6.743 -5.905 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.220 -5.767 -6.843 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.643 -8.559 -4.942 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.106 -7.315 -6.613 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.494 -10.153 -4.724 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.098 -9.983 -4.592 1.00 0.00 H new ATOM 423 N GLU A 26 -4.640 -6.400 -3.349 1.00 0.00 N ATOM 424 CA GLU A 26 -5.489 -6.636 -2.144 1.00 0.00 C ATOM 425 C GLU A 26 -5.411 -5.379 -1.290 1.00 0.00 C ATOM 426 O GLU A 26 -6.404 -4.835 -0.848 1.00 0.00 O ATOM 427 CB GLU A 26 -4.931 -7.796 -1.327 1.00 0.00 C ATOM 428 CG GLU A 26 -5.200 -9.122 -2.037 1.00 0.00 C ATOM 429 CD GLU A 26 -6.702 -9.268 -2.294 1.00 0.00 C ATOM 430 OE1 GLU A 26 -7.469 -8.687 -1.544 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.060 -9.959 -3.233 1.00 0.00 O ATOM 0 H GLU A 26 -4.039 -7.175 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.511 -6.867 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.859 -7.665 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.388 -7.806 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.654 -9.159 -2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.842 -9.952 -1.428 1.00 0.00 H new ATOM 438 N LEU A 27 -4.212 -4.917 -1.072 1.00 0.00 N ATOM 439 CA LEU A 27 -3.998 -3.700 -0.269 1.00 0.00 C ATOM 440 C LEU A 27 -4.800 -2.553 -0.890 1.00 0.00 C ATOM 441 O LEU A 27 -5.245 -1.651 -0.208 1.00 0.00 O ATOM 442 CB LEU A 27 -2.498 -3.415 -0.290 1.00 0.00 C ATOM 443 CG LEU A 27 -2.197 -2.012 0.229 1.00 0.00 C ATOM 444 CD1 LEU A 27 -2.439 -1.962 1.737 1.00 0.00 C ATOM 445 CD2 LEU A 27 -0.732 -1.680 -0.069 1.00 0.00 C ATOM 0 H LEU A 27 -3.358 -5.347 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.333 -3.817 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.976 -4.152 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.119 -3.519 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.847 -1.287 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.224 -0.960 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.479 -2.211 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.787 -2.680 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.504 -0.679 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.086 -2.404 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.561 -1.720 -1.145 1.00 0.00 H new ATOM 457 N GLU A 28 -5.014 -2.601 -2.181 1.00 0.00 N ATOM 458 CA GLU A 28 -5.814 -1.544 -2.847 1.00 0.00 C ATOM 459 C GLU A 28 -7.288 -1.901 -2.686 1.00 0.00 C ATOM 460 O GLU A 28 -8.125 -1.058 -2.426 1.00 0.00 O ATOM 461 CB GLU A 28 -5.467 -1.506 -4.334 1.00 0.00 C ATOM 462 CG GLU A 28 -4.287 -0.562 -4.565 1.00 0.00 C ATOM 463 CD GLU A 28 -4.808 0.824 -4.945 1.00 0.00 C ATOM 464 OE1 GLU A 28 -5.837 1.214 -4.417 1.00 0.00 O ATOM 465 OE2 GLU A 28 -4.172 1.473 -5.760 1.00 0.00 O ATOM 0 H GLU A 28 -4.665 -3.333 -2.800 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.603 -0.571 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.218 -2.508 -4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.330 -1.172 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.677 -0.498 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.646 -0.951 -5.357 1.00 0.00 H new ATOM 472 N ARG A 29 -7.603 -3.159 -2.830 1.00 0.00 N ATOM 473 CA ARG A 29 -9.012 -3.607 -2.678 1.00 0.00 C ATOM 474 C ARG A 29 -9.527 -3.154 -1.314 1.00 0.00 C ATOM 475 O ARG A 29 -10.606 -2.607 -1.197 1.00 0.00 O ATOM 476 CB ARG A 29 -9.059 -5.136 -2.762 1.00 0.00 C ATOM 477 CG ARG A 29 -9.053 -5.588 -4.228 1.00 0.00 C ATOM 478 CD ARG A 29 -10.124 -6.661 -4.430 1.00 0.00 C ATOM 479 NE ARG A 29 -11.450 -6.009 -4.622 1.00 0.00 N ATOM 480 CZ ARG A 29 -12.456 -6.700 -5.084 1.00 0.00 C ATOM 481 NH1 ARG A 29 -12.299 -7.960 -5.379 1.00 0.00 N ATOM 482 NH2 ARG A 29 -13.617 -6.129 -5.250 1.00 0.00 N ATOM 0 H ARG A 29 -6.937 -3.900 -3.048 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.632 -3.179 -3.466 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.203 -5.562 -2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.954 -5.507 -2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.245 -4.738 -4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.072 -5.982 -4.495 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.880 -7.275 -5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.155 -7.326 -3.567 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.571 -5.023 -4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.390 -8.405 -5.249 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.085 -8.501 -5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.738 -5.143 -5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.404 -6.669 -5.611 1.00 0.00 H new ATOM 496 N ARG A 30 -8.759 -3.372 -0.282 1.00 0.00 N ATOM 497 CA ARG A 30 -9.203 -2.945 1.072 1.00 0.00 C ATOM 498 C ARG A 30 -9.747 -1.516 0.974 1.00 0.00 C ATOM 499 O ARG A 30 -10.757 -1.179 1.558 1.00 0.00 O ATOM 500 CB ARG A 30 -8.002 -2.967 2.036 1.00 0.00 C ATOM 501 CG ARG A 30 -8.278 -3.844 3.274 1.00 0.00 C ATOM 502 CD ARG A 30 -9.723 -3.684 3.755 1.00 0.00 C ATOM 503 NE ARG A 30 -10.550 -4.804 3.228 1.00 0.00 N ATOM 504 CZ ARG A 30 -11.711 -5.067 3.764 1.00 0.00 C ATOM 505 NH1 ARG A 30 -12.137 -4.365 4.779 1.00 0.00 N ATOM 506 NH2 ARG A 30 -12.439 -6.040 3.293 1.00 0.00 N ATOM 0 H ARG A 30 -7.846 -3.826 -0.319 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.975 -3.619 1.444 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.123 -3.343 1.513 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.773 -1.950 2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.086 -4.889 3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.593 -3.571 4.076 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.756 -3.675 4.844 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.126 -2.730 3.416 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.209 -5.366 2.448 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.563 -3.610 5.154 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.044 -4.571 5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.101 -6.595 2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.346 -6.247 3.711 1.00 0.00 H new ATOM 520 N PHE A 31 -9.071 -0.678 0.233 1.00 0.00 N ATOM 521 CA PHE A 31 -9.522 0.735 0.078 1.00 0.00 C ATOM 522 C PHE A 31 -11.037 0.778 -0.146 1.00 0.00 C ATOM 523 O PHE A 31 -11.738 1.582 0.439 1.00 0.00 O ATOM 524 CB PHE A 31 -8.812 1.361 -1.125 1.00 0.00 C ATOM 525 CG PHE A 31 -8.835 2.867 -1.004 1.00 0.00 C ATOM 526 CD1 PHE A 31 -10.054 3.555 -1.027 1.00 0.00 C ATOM 527 CD2 PHE A 31 -7.634 3.575 -0.873 1.00 0.00 C ATOM 528 CE1 PHE A 31 -10.073 4.950 -0.918 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.653 4.971 -0.763 1.00 0.00 C ATOM 530 CZ PHE A 31 -8.872 5.658 -0.785 1.00 0.00 C ATOM 0 H PHE A 31 -8.219 -0.915 -0.275 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.279 1.293 0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.783 1.007 -1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.302 1.053 -2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -10.980 3.009 -1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.693 3.045 -0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.014 5.480 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.727 5.517 -0.661 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.887 6.735 -0.699 1.00 0.00 H new ATOM 540 N ARG A 32 -11.546 -0.073 -0.994 1.00 0.00 N ATOM 541 CA ARG A 32 -13.013 -0.074 -1.265 1.00 0.00 C ATOM 542 C ARG A 32 -13.772 -0.522 -0.013 1.00 0.00 C ATOM 543 O ARG A 32 -14.301 0.284 0.725 1.00 0.00 O ATOM 544 CB ARG A 32 -13.316 -1.038 -2.420 1.00 0.00 C ATOM 545 CG ARG A 32 -13.006 -0.366 -3.764 1.00 0.00 C ATOM 546 CD ARG A 32 -11.754 -0.996 -4.379 1.00 0.00 C ATOM 547 NE ARG A 32 -11.116 -0.023 -5.313 1.00 0.00 N ATOM 548 CZ ARG A 32 -9.891 -0.214 -5.720 1.00 0.00 C ATOM 549 NH1 ARG A 32 -9.222 -1.259 -5.314 1.00 0.00 N ATOM 550 NH2 ARG A 32 -9.333 0.639 -6.536 1.00 0.00 N ATOM 0 H ARG A 32 -11.009 -0.769 -1.512 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.331 0.933 -1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.721 -1.945 -2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.363 -1.338 -2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.852 -0.479 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.853 0.704 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.052 -1.277 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.018 -1.909 -4.912 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.638 0.792 -5.634 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.657 -1.927 -4.678 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.265 -1.407 -5.633 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.855 1.455 -6.856 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.375 0.489 -6.854 1.00 0.00 H new ATOM 564 N GLN A 33 -13.836 -1.803 0.228 1.00 0.00 N ATOM 565 CA GLN A 33 -14.566 -2.301 1.429 1.00 0.00 C ATOM 566 C GLN A 33 -14.132 -1.501 2.660 1.00 0.00 C ATOM 567 O GLN A 33 -14.865 -1.371 3.620 1.00 0.00 O ATOM 568 CB GLN A 33 -14.251 -3.784 1.641 1.00 0.00 C ATOM 569 CG GLN A 33 -14.230 -4.501 0.290 1.00 0.00 C ATOM 570 CD GLN A 33 -14.536 -5.987 0.494 1.00 0.00 C ATOM 571 OE1 GLN A 33 -14.708 -6.435 1.611 1.00 0.00 O ATOM 572 NE2 GLN A 33 -14.612 -6.775 -0.543 1.00 0.00 N ATOM 0 H GLN A 33 -13.415 -2.526 -0.355 1.00 0.00 H new ATOM 0 HA GLN A 33 -15.639 -2.178 1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -13.287 -3.894 2.138 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -14.999 -4.236 2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -14.965 -4.056 -0.381 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.255 -4.381 -0.182 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -14.468 -6.400 -1.480 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.816 -7.766 -0.416 1.00 0.00 H new ATOM 581 N GLN A 34 -12.945 -0.963 2.637 1.00 0.00 N ATOM 582 CA GLN A 34 -12.455 -0.167 3.800 1.00 0.00 C ATOM 583 C GLN A 34 -11.593 0.984 3.284 1.00 0.00 C ATOM 584 O GLN A 34 -10.620 0.774 2.593 1.00 0.00 O ATOM 585 CB GLN A 34 -11.598 -1.053 4.702 1.00 0.00 C ATOM 586 CG GLN A 34 -11.833 -0.708 6.171 1.00 0.00 C ATOM 587 CD GLN A 34 -12.889 -1.654 6.745 1.00 0.00 C ATOM 588 OE1 GLN A 34 -12.694 -2.853 6.776 1.00 0.00 O ATOM 589 NE2 GLN A 34 -14.007 -1.164 7.205 1.00 0.00 N ATOM 0 H GLN A 34 -12.289 -1.040 1.860 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.306 0.218 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.838 -2.102 4.526 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.544 -0.922 4.456 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.903 -0.798 6.732 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.163 0.326 6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.172 -0.158 7.179 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.717 -1.787 7.590 1.00 0.00 H new ATOM 598 N ARG A 35 -11.933 2.193 3.619 1.00 0.00 N ATOM 599 CA ARG A 35 -11.122 3.347 3.148 1.00 0.00 C ATOM 600 C ARG A 35 -10.437 3.980 4.359 1.00 0.00 C ATOM 601 O ARG A 35 -9.685 4.928 4.254 1.00 0.00 O ATOM 602 CB ARG A 35 -12.054 4.344 2.437 1.00 0.00 C ATOM 603 CG ARG A 35 -12.130 5.683 3.183 1.00 0.00 C ATOM 604 CD ARG A 35 -12.967 6.675 2.371 1.00 0.00 C ATOM 605 NE ARG A 35 -14.025 7.285 3.238 1.00 0.00 N ATOM 606 CZ ARG A 35 -14.811 6.541 3.969 1.00 0.00 C ATOM 607 NH1 ARG A 35 -14.758 5.242 3.878 1.00 0.00 N ATOM 608 NH2 ARG A 35 -15.675 7.101 4.771 1.00 0.00 N ATOM 0 H ARG A 35 -12.737 2.433 4.199 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.354 3.034 2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.698 4.514 1.421 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.053 3.915 2.357 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.574 5.538 4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.127 6.081 3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.325 7.456 1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.428 6.166 1.524 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.134 8.299 3.258 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.101 4.802 3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.374 4.665 4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.735 8.118 4.826 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.290 6.522 5.343 1.00 0.00 H new ATOM 622 N TYR A 36 -10.687 3.437 5.513 1.00 0.00 N ATOM 623 CA TYR A 36 -10.061 3.987 6.750 1.00 0.00 C ATOM 624 C TYR A 36 -9.385 2.864 7.539 1.00 0.00 C ATOM 625 O TYR A 36 -9.511 2.782 8.745 1.00 0.00 O ATOM 626 CB TYR A 36 -11.149 4.624 7.617 1.00 0.00 C ATOM 627 CG TYR A 36 -12.421 3.820 7.480 1.00 0.00 C ATOM 628 CD1 TYR A 36 -12.551 2.594 8.145 1.00 0.00 C ATOM 629 CD2 TYR A 36 -13.464 4.294 6.678 1.00 0.00 C ATOM 630 CE1 TYR A 36 -13.726 1.846 8.009 1.00 0.00 C ATOM 631 CE2 TYR A 36 -14.638 3.545 6.539 1.00 0.00 C ATOM 632 CZ TYR A 36 -14.769 2.321 7.205 1.00 0.00 C ATOM 633 OH TYR A 36 -15.926 1.582 7.068 1.00 0.00 O ATOM 0 H TYR A 36 -11.299 2.634 5.657 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.314 4.732 6.476 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.832 4.652 8.659 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.320 5.655 7.309 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.745 2.226 8.762 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.363 5.239 6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.828 0.902 8.524 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.442 3.911 5.918 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.548 2.055 6.477 1.00 0.00 H new ATOM 643 N LEU A 37 -8.669 1.996 6.879 1.00 0.00 N ATOM 644 CA LEU A 37 -7.996 0.889 7.614 1.00 0.00 C ATOM 645 C LEU A 37 -7.389 1.442 8.908 1.00 0.00 C ATOM 646 O LEU A 37 -6.691 2.435 8.901 1.00 0.00 O ATOM 647 CB LEU A 37 -6.898 0.273 6.739 1.00 0.00 C ATOM 648 CG LEU A 37 -7.279 -1.172 6.377 1.00 0.00 C ATOM 649 CD1 LEU A 37 -8.449 -1.143 5.423 1.00 0.00 C ATOM 650 CD2 LEU A 37 -6.101 -1.888 5.698 1.00 0.00 C ATOM 0 H LEU A 37 -8.522 2.005 5.870 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.724 0.115 7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.767 0.864 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.946 0.287 7.269 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.540 -1.709 7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.728 -2.163 5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.295 -0.647 5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.170 -0.598 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.390 -2.909 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.828 -1.356 4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.248 -1.907 6.376 1.00 0.00 H new ATOM 662 N SER A 38 -7.657 0.811 10.024 1.00 0.00 N ATOM 663 CA SER A 38 -7.112 1.301 11.308 1.00 0.00 C ATOM 664 C SER A 38 -6.354 0.173 11.996 1.00 0.00 C ATOM 665 O SER A 38 -5.701 -0.630 11.374 1.00 0.00 O ATOM 666 CB SER A 38 -8.261 1.760 12.205 1.00 0.00 C ATOM 667 OG SER A 38 -9.148 0.671 12.426 1.00 0.00 O ATOM 0 H SER A 38 -8.234 -0.027 10.092 1.00 0.00 H new ATOM 0 HA SER A 38 -6.437 2.137 11.124 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.872 2.126 13.155 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.793 2.589 11.738 1.00 0.00 H new ATOM 0 HG SER A 38 -9.687 0.845 13.226 1.00 0.00 H new ATOM 673 N ALA A 39 -6.450 0.106 13.276 1.00 0.00 N ATOM 674 CA ALA A 39 -5.735 -0.965 14.025 1.00 0.00 C ATOM 675 C ALA A 39 -6.555 -2.258 13.994 1.00 0.00 C ATOM 676 O ALA A 39 -6.006 -3.342 14.017 1.00 0.00 O ATOM 677 CB ALA A 39 -5.525 -0.514 15.470 1.00 0.00 C ATOM 0 H ALA A 39 -6.995 0.747 13.852 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.767 -1.152 13.559 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.002 -1.295 16.022 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.931 0.400 15.483 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.492 -0.325 15.936 1.00 0.00 H new ATOM 683 N PRO A 40 -7.849 -2.100 13.935 1.00 0.00 N ATOM 684 CA PRO A 40 -8.712 -3.291 13.892 1.00 0.00 C ATOM 685 C PRO A 40 -9.041 -3.703 12.461 1.00 0.00 C ATOM 686 O PRO A 40 -9.317 -4.853 12.182 1.00 0.00 O ATOM 687 CB PRO A 40 -9.966 -2.952 14.648 1.00 0.00 C ATOM 688 CG PRO A 40 -9.789 -1.528 15.098 1.00 0.00 C ATOM 689 CD PRO A 40 -8.344 -1.123 14.897 1.00 0.00 C ATOM 0 HA PRO A 40 -8.198 -4.140 14.343 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.847 -3.057 14.015 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.104 -3.619 15.499 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.447 -0.869 14.531 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.065 -1.428 16.148 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.262 -0.106 14.515 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.783 -1.159 15.831 1.00 0.00 H new ATOM 697 N GLU A 41 -9.016 -2.771 11.552 1.00 0.00 N ATOM 698 CA GLU A 41 -9.329 -3.096 10.140 1.00 0.00 C ATOM 699 C GLU A 41 -8.061 -3.548 9.440 1.00 0.00 C ATOM 700 O GLU A 41 -8.014 -4.579 8.800 1.00 0.00 O ATOM 701 CB GLU A 41 -9.833 -1.843 9.443 1.00 0.00 C ATOM 702 CG GLU A 41 -11.333 -1.919 9.263 1.00 0.00 C ATOM 703 CD GLU A 41 -12.018 -1.999 10.628 1.00 0.00 C ATOM 704 OE1 GLU A 41 -11.415 -2.539 11.542 1.00 0.00 O ATOM 705 OE2 GLU A 41 -13.134 -1.517 10.739 1.00 0.00 O ATOM 0 H GLU A 41 -8.790 -1.792 11.730 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.083 -3.882 10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.573 -0.961 10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.347 -1.736 8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.688 -1.043 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.592 -2.792 8.665 1.00 0.00 H new ATOM 712 N ARG A 42 -7.029 -2.769 9.562 1.00 0.00 N ATOM 713 CA ARG A 42 -5.757 -3.133 8.910 1.00 0.00 C ATOM 714 C ARG A 42 -5.515 -4.614 9.158 1.00 0.00 C ATOM 715 O ARG A 42 -5.262 -5.383 8.252 1.00 0.00 O ATOM 716 CB ARG A 42 -4.612 -2.356 9.534 1.00 0.00 C ATOM 717 CG ARG A 42 -4.545 -0.896 9.056 1.00 0.00 C ATOM 718 CD ARG A 42 -3.406 -0.185 9.790 1.00 0.00 C ATOM 719 NE ARG A 42 -3.944 0.612 10.926 1.00 0.00 N ATOM 720 CZ ARG A 42 -3.158 0.954 11.910 1.00 0.00 C ATOM 721 NH1 ARG A 42 -1.911 0.568 11.913 1.00 0.00 N ATOM 722 NH2 ARG A 42 -3.622 1.674 12.895 1.00 0.00 N ATOM 0 H ARG A 42 -7.016 -1.895 10.087 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.810 -2.908 7.845 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.718 -2.373 10.619 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.671 -2.853 9.298 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.380 -0.859 7.979 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.492 -0.392 9.251 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.688 -0.918 10.158 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.870 0.467 9.100 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.925 0.890 10.935 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.551 -0.001 11.146 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.296 0.835 12.682 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.598 1.969 12.895 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.008 1.942 13.664 1.00 0.00 H new ATOM 736 N GLU A 43 -5.603 -5.008 10.395 1.00 0.00 N ATOM 737 CA GLU A 43 -5.397 -6.432 10.752 1.00 0.00 C ATOM 738 C GLU A 43 -5.906 -7.319 9.613 1.00 0.00 C ATOM 739 O GLU A 43 -5.247 -8.250 9.196 1.00 0.00 O ATOM 740 CB GLU A 43 -6.187 -6.713 12.023 1.00 0.00 C ATOM 741 CG GLU A 43 -5.219 -6.865 13.196 1.00 0.00 C ATOM 742 CD GLU A 43 -4.399 -8.143 13.019 1.00 0.00 C ATOM 743 OE1 GLU A 43 -4.971 -9.138 12.606 1.00 0.00 O ATOM 744 OE2 GLU A 43 -3.212 -8.105 13.301 1.00 0.00 O ATOM 0 H GLU A 43 -5.812 -4.394 11.182 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.339 -6.642 10.912 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.887 -5.900 12.217 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.778 -7.621 11.904 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.557 -6.000 13.250 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.772 -6.902 14.135 1.00 0.00 H new ATOM 751 N HIS A 44 -7.074 -7.030 9.102 1.00 0.00 N ATOM 752 CA HIS A 44 -7.620 -7.849 7.983 1.00 0.00 C ATOM 753 C HIS A 44 -6.587 -7.892 6.856 1.00 0.00 C ATOM 754 O HIS A 44 -6.189 -8.947 6.402 1.00 0.00 O ATOM 755 CB HIS A 44 -8.916 -7.216 7.472 1.00 0.00 C ATOM 756 CG HIS A 44 -9.613 -8.174 6.547 1.00 0.00 C ATOM 757 ND1 HIS A 44 -10.775 -8.837 6.907 1.00 0.00 N ATOM 758 CD2 HIS A 44 -9.323 -8.591 5.271 1.00 0.00 C ATOM 759 CE1 HIS A 44 -11.140 -9.610 5.869 1.00 0.00 C ATOM 760 NE2 HIS A 44 -10.290 -9.498 4.845 1.00 0.00 N ATOM 0 H HIS A 44 -7.672 -6.263 9.411 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.831 -8.861 8.329 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.566 -6.966 8.311 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -8.697 -6.285 6.950 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.475 -8.265 4.687 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.014 -10.244 5.864 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.339 -9.974 3.944 1.00 0.00 H new ATOM 768 N LEU A 45 -6.130 -6.750 6.420 1.00 0.00 N ATOM 769 CA LEU A 45 -5.101 -6.713 5.345 1.00 0.00 C ATOM 770 C LEU A 45 -3.870 -7.431 5.852 1.00 0.00 C ATOM 771 O LEU A 45 -3.396 -8.393 5.281 1.00 0.00 O ATOM 772 CB LEU A 45 -4.723 -5.242 5.058 1.00 0.00 C ATOM 773 CG LEU A 45 -3.618 -5.129 4.058 1.00 0.00 C ATOM 774 CD1 LEU A 45 -2.321 -5.669 4.676 1.00 0.00 C ATOM 775 CD2 LEU A 45 -4.110 -5.875 2.813 1.00 0.00 C ATOM 0 H LEU A 45 -6.427 -5.837 6.765 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.483 -7.183 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.599 -4.708 4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.421 -4.758 5.987 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.377 -4.106 3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.511 -5.589 3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.072 -5.088 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.458 -6.714 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.346 -5.832 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.310 -6.916 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.025 -5.409 2.447 1.00 0.00 H new ATOM 787 N THR A 46 -3.333 -6.919 6.907 1.00 0.00 N ATOM 788 CA THR A 46 -2.101 -7.474 7.486 1.00 0.00 C ATOM 789 C THR A 46 -2.162 -8.998 7.470 1.00 0.00 C ATOM 790 O THR A 46 -1.158 -9.673 7.577 1.00 0.00 O ATOM 791 CB THR A 46 -2.025 -6.899 8.875 1.00 0.00 C ATOM 792 OG1 THR A 46 -3.315 -6.948 9.425 1.00 0.00 O ATOM 793 CG2 THR A 46 -1.570 -5.446 8.762 1.00 0.00 C ATOM 0 H THR A 46 -3.710 -6.114 7.407 1.00 0.00 H new ATOM 0 HA THR A 46 -1.204 -7.214 6.924 1.00 0.00 H new ATOM 0 HB THR A 46 -1.328 -7.454 9.503 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.742 -7.796 9.182 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.507 -5.006 9.757 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.590 -5.407 8.286 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.287 -4.886 8.162 1.00 0.00 H new ATOM 801 N SER A 47 -3.329 -9.543 7.279 1.00 0.00 N ATOM 802 CA SER A 47 -3.451 -11.019 7.189 1.00 0.00 C ATOM 803 C SER A 47 -3.213 -11.404 5.727 1.00 0.00 C ATOM 804 O SER A 47 -2.566 -12.386 5.421 1.00 0.00 O ATOM 805 CB SER A 47 -4.854 -11.451 7.620 1.00 0.00 C ATOM 806 OG SER A 47 -5.517 -12.057 6.519 1.00 0.00 O ATOM 0 H SER A 47 -4.204 -9.028 7.181 1.00 0.00 H new ATOM 0 HA SER A 47 -2.728 -11.509 7.841 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.792 -12.152 8.452 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.421 -10.589 7.971 1.00 0.00 H new ATOM 0 HG SER A 47 -6.416 -12.336 6.792 1.00 0.00 H new ATOM 812 N LEU A 48 -3.747 -10.621 4.825 1.00 0.00 N ATOM 813 CA LEU A 48 -3.592 -10.885 3.378 1.00 0.00 C ATOM 814 C LEU A 48 -2.149 -10.719 2.914 1.00 0.00 C ATOM 815 O LEU A 48 -1.376 -11.654 2.858 1.00 0.00 O ATOM 816 CB LEU A 48 -4.406 -9.846 2.647 1.00 0.00 C ATOM 817 CG LEU A 48 -5.769 -10.388 2.330 1.00 0.00 C ATOM 818 CD1 LEU A 48 -5.651 -11.603 1.405 1.00 0.00 C ATOM 819 CD2 LEU A 48 -6.485 -10.783 3.623 1.00 0.00 C ATOM 0 H LEU A 48 -4.297 -9.790 5.045 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.909 -11.909 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.496 -8.948 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.898 -9.556 1.727 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.348 -9.616 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.646 -11.988 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.159 -11.308 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.064 -12.379 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.474 -11.176 3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.906 -11.547 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.586 -9.908 4.265 1.00 0.00 H new ATOM 831 N ILE A 49 -1.820 -9.520 2.509 1.00 0.00 N ATOM 832 CA ILE A 49 -0.467 -9.253 1.957 1.00 0.00 C ATOM 833 C ILE A 49 0.482 -8.722 3.046 1.00 0.00 C ATOM 834 O ILE A 49 1.540 -8.190 2.781 1.00 0.00 O ATOM 835 CB ILE A 49 -0.640 -8.337 0.727 1.00 0.00 C ATOM 836 CG1 ILE A 49 -0.573 -6.836 1.043 1.00 0.00 C ATOM 837 CG2 ILE A 49 -2.022 -8.622 0.140 1.00 0.00 C ATOM 838 CD1 ILE A 49 -1.332 -6.535 2.314 1.00 0.00 C ATOM 0 H ILE A 49 -2.439 -8.710 2.539 1.00 0.00 H new ATOM 0 HA ILE A 49 0.022 -10.166 1.617 1.00 0.00 H new ATOM 0 HB ILE A 49 0.183 -8.554 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.466 -6.526 1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.993 -6.264 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.183 -7.992 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.084 -9.670 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.786 -8.407 0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.277 -5.467 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.375 -6.827 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.893 -7.093 3.141 1.00 0.00 H new ATOM 850 N ARG A 50 0.116 -8.971 4.278 1.00 0.00 N ATOM 851 CA ARG A 50 0.963 -8.623 5.469 1.00 0.00 C ATOM 852 C ARG A 50 1.688 -7.289 5.342 1.00 0.00 C ATOM 853 O ARG A 50 2.730 -7.090 5.936 1.00 0.00 O ATOM 854 CB ARG A 50 1.994 -9.723 5.640 1.00 0.00 C ATOM 855 CG ARG A 50 1.369 -11.039 5.175 1.00 0.00 C ATOM 856 CD ARG A 50 1.683 -12.156 6.171 1.00 0.00 C ATOM 857 NE ARG A 50 2.106 -13.390 5.441 1.00 0.00 N ATOM 858 CZ ARG A 50 1.483 -13.774 4.357 1.00 0.00 C ATOM 859 NH1 ARG A 50 0.428 -13.134 3.938 1.00 0.00 N ATOM 860 NH2 ARG A 50 1.909 -14.820 3.703 1.00 0.00 N ATOM 0 H ARG A 50 -0.768 -9.418 4.519 1.00 0.00 H new ATOM 0 HA ARG A 50 0.298 -8.532 6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.888 -9.500 5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.303 -9.796 6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.290 -10.922 5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.752 -11.303 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.473 -11.837 6.850 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.805 -12.368 6.781 1.00 0.00 H new ATOM 0 HE ARG A 50 2.890 -13.939 5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.082 -12.327 4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.052 -13.440 3.092 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.724 -15.334 4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.427 -15.124 2.857 1.00 0.00 H new ATOM 874 N LEU A 51 1.166 -6.372 4.608 1.00 0.00 N ATOM 875 CA LEU A 51 1.851 -5.056 4.489 1.00 0.00 C ATOM 876 C LEU A 51 1.895 -4.365 5.857 1.00 0.00 C ATOM 877 O LEU A 51 1.941 -3.159 5.954 1.00 0.00 O ATOM 878 CB LEU A 51 1.117 -4.184 3.469 1.00 0.00 C ATOM 879 CG LEU A 51 1.966 -3.994 2.215 1.00 0.00 C ATOM 880 CD1 LEU A 51 3.039 -2.940 2.482 1.00 0.00 C ATOM 881 CD2 LEU A 51 2.629 -5.317 1.807 1.00 0.00 C ATOM 0 H LEU A 51 0.297 -6.465 4.082 1.00 0.00 H new ATOM 0 HA LEU A 51 2.874 -5.209 4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.166 -4.647 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.888 -3.214 3.910 1.00 0.00 H new ATOM 0 HG LEU A 51 1.322 -3.664 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.646 -2.804 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.563 -1.995 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.674 -3.268 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.230 -5.162 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.269 -5.668 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.860 -6.062 1.603 1.00 0.00 H new ATOM 893 N THR A 52 1.922 -5.144 6.907 1.00 0.00 N ATOM 894 CA THR A 52 2.005 -4.597 8.292 1.00 0.00 C ATOM 895 C THR A 52 0.962 -3.491 8.537 1.00 0.00 C ATOM 896 O THR A 52 0.776 -2.617 7.720 1.00 0.00 O ATOM 897 CB THR A 52 3.401 -4.046 8.524 1.00 0.00 C ATOM 898 OG1 THR A 52 3.933 -3.564 7.296 1.00 0.00 O ATOM 899 CG2 THR A 52 4.299 -5.160 9.052 1.00 0.00 C ATOM 0 H THR A 52 1.889 -6.162 6.859 1.00 0.00 H new ATOM 0 HA THR A 52 1.794 -5.406 8.991 1.00 0.00 H new ATOM 0 HB THR A 52 3.354 -3.232 9.247 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.759 -3.066 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.303 -4.769 9.220 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.895 -5.539 9.991 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.342 -5.969 8.323 1.00 0.00 H new ATOM 907 N PRO A 53 0.306 -3.590 9.673 1.00 0.00 N ATOM 908 CA PRO A 53 -0.746 -2.601 10.014 1.00 0.00 C ATOM 909 C PRO A 53 -0.324 -1.159 9.721 1.00 0.00 C ATOM 910 O PRO A 53 -0.509 -0.670 8.624 1.00 0.00 O ATOM 911 CB PRO A 53 -1.036 -2.791 11.506 1.00 0.00 C ATOM 912 CG PRO A 53 -0.064 -3.861 12.032 1.00 0.00 C ATOM 913 CD PRO A 53 0.720 -4.409 10.835 1.00 0.00 C ATOM 0 HA PRO A 53 -1.630 -2.769 9.399 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.903 -1.853 12.045 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.069 -3.103 11.659 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.615 -3.432 12.769 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.610 -4.662 12.530 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.794 -4.334 11.004 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.496 -5.463 10.670 1.00 0.00 H new ATOM 921 N THR A 54 0.208 -0.459 10.689 1.00 0.00 N ATOM 922 CA THR A 54 0.593 0.947 10.454 1.00 0.00 C ATOM 923 C THR A 54 1.118 1.087 9.029 1.00 0.00 C ATOM 924 O THR A 54 0.641 1.897 8.259 1.00 0.00 O ATOM 925 CB THR A 54 1.664 1.338 11.462 1.00 0.00 C ATOM 926 OG1 THR A 54 1.107 1.318 12.769 1.00 0.00 O ATOM 927 CG2 THR A 54 2.162 2.737 11.141 1.00 0.00 C ATOM 0 H THR A 54 0.389 -0.808 11.630 1.00 0.00 H new ATOM 0 HA THR A 54 -0.267 1.606 10.577 1.00 0.00 H new ATOM 0 HB THR A 54 2.495 0.635 11.412 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.794 1.568 13.421 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.930 3.024 11.860 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.582 2.752 10.135 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.331 3.441 11.197 1.00 0.00 H new ATOM 935 N GLN A 55 2.073 0.284 8.659 1.00 0.00 N ATOM 936 CA GLN A 55 2.599 0.357 7.274 1.00 0.00 C ATOM 937 C GLN A 55 1.416 0.458 6.314 1.00 0.00 C ATOM 938 O GLN A 55 1.366 1.320 5.459 1.00 0.00 O ATOM 939 CB GLN A 55 3.384 -0.915 6.973 1.00 0.00 C ATOM 940 CG GLN A 55 3.576 -1.063 5.463 1.00 0.00 C ATOM 941 CD GLN A 55 4.243 0.197 4.907 1.00 0.00 C ATOM 942 OE1 GLN A 55 3.614 0.983 4.227 1.00 0.00 O ATOM 943 NE2 GLN A 55 5.502 0.423 5.169 1.00 0.00 N ATOM 0 H GLN A 55 2.510 -0.418 9.256 1.00 0.00 H new ATOM 0 HA GLN A 55 3.250 1.223 7.160 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.353 -0.881 7.470 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.854 -1.782 7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.190 -1.937 5.248 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.613 -1.222 4.977 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.031 -0.237 5.740 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.957 1.259 4.803 1.00 0.00 H new ATOM 952 N VAL A 56 0.457 -0.418 6.456 1.00 0.00 N ATOM 953 CA VAL A 56 -0.728 -0.371 5.560 1.00 0.00 C ATOM 954 C VAL A 56 -1.324 1.033 5.589 1.00 0.00 C ATOM 955 O VAL A 56 -1.573 1.640 4.566 1.00 0.00 O ATOM 956 CB VAL A 56 -1.797 -1.358 6.039 1.00 0.00 C ATOM 957 CG1 VAL A 56 -2.946 -1.348 5.038 1.00 0.00 C ATOM 958 CG2 VAL A 56 -1.220 -2.774 6.133 1.00 0.00 C ATOM 0 H VAL A 56 0.446 -1.162 7.154 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.413 -0.635 4.550 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.146 -1.060 7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.718 -2.046 5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.367 -0.344 4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.577 -1.647 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.995 -3.461 6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.864 -3.088 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.390 -2.783 6.839 1.00 0.00 H new ATOM 968 N LYS A 57 -1.564 1.547 6.761 1.00 0.00 N ATOM 969 CA LYS A 57 -2.158 2.902 6.876 1.00 0.00 C ATOM 970 C LYS A 57 -1.218 3.936 6.257 1.00 0.00 C ATOM 971 O LYS A 57 -1.637 4.795 5.507 1.00 0.00 O ATOM 972 CB LYS A 57 -2.379 3.214 8.351 1.00 0.00 C ATOM 973 CG LYS A 57 -2.721 4.692 8.529 1.00 0.00 C ATOM 974 CD LYS A 57 -3.218 4.920 9.958 1.00 0.00 C ATOM 975 CE LYS A 57 -2.407 4.053 10.924 1.00 0.00 C ATOM 976 NZ LYS A 57 -2.755 4.418 12.327 1.00 0.00 N ATOM 0 H LYS A 57 -1.372 1.082 7.649 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.109 2.937 6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.186 2.596 8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.483 2.969 8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.843 5.308 8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.486 4.990 7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.119 5.972 10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.277 4.671 10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.618 2.998 10.748 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.340 4.198 10.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.205 3.830 12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.533 5.421 12.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.770 4.258 12.486 1.00 0.00 H new ATOM 990 N ILE A 58 0.050 3.864 6.559 1.00 0.00 N ATOM 991 CA ILE A 58 1.003 4.850 5.977 1.00 0.00 C ATOM 992 C ILE A 58 0.948 4.749 4.450 1.00 0.00 C ATOM 993 O ILE A 58 1.021 5.740 3.752 1.00 0.00 O ATOM 994 CB ILE A 58 2.426 4.554 6.463 1.00 0.00 C ATOM 995 CG1 ILE A 58 2.445 4.438 7.994 1.00 0.00 C ATOM 996 CG2 ILE A 58 3.359 5.688 6.031 1.00 0.00 C ATOM 997 CD1 ILE A 58 1.435 5.413 8.613 1.00 0.00 C ATOM 0 H ILE A 58 0.465 3.169 7.180 1.00 0.00 H new ATOM 0 HA ILE A 58 0.727 5.856 6.293 1.00 0.00 H new ATOM 0 HB ILE A 58 2.762 3.613 6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.205 3.417 8.291 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.445 4.653 8.370 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.371 5.478 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.356 5.768 4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.015 6.627 6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.459 5.321 9.699 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.694 6.433 8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.434 5.179 8.251 1.00 0.00 H new ATOM 1009 N TRP A 59 0.805 3.559 3.927 1.00 0.00 N ATOM 1010 CA TRP A 59 0.727 3.401 2.447 1.00 0.00 C ATOM 1011 C TRP A 59 -0.423 4.257 1.920 1.00 0.00 C ATOM 1012 O TRP A 59 -0.244 5.089 1.053 1.00 0.00 O ATOM 1013 CB TRP A 59 0.468 1.934 2.100 1.00 0.00 C ATOM 1014 CG TRP A 59 -0.083 1.838 0.712 1.00 0.00 C ATOM 1015 CD1 TRP A 59 0.661 1.747 -0.413 1.00 0.00 C ATOM 1016 CD2 TRP A 59 -1.477 1.820 0.283 1.00 0.00 C ATOM 1017 NE1 TRP A 59 -0.185 1.673 -1.505 1.00 0.00 N ATOM 1018 CE2 TRP A 59 -1.513 1.715 -1.127 1.00 0.00 C ATOM 1019 CE3 TRP A 59 -2.700 1.883 0.974 1.00 0.00 C ATOM 1020 CZ2 TRP A 59 -2.718 1.674 -1.828 1.00 0.00 C ATOM 1021 CZ3 TRP A 59 -3.917 1.843 0.272 1.00 0.00 C ATOM 1022 CH2 TRP A 59 -3.926 1.739 -1.127 1.00 0.00 C ATOM 0 H TRP A 59 0.739 2.692 4.461 1.00 0.00 H new ATOM 0 HA TRP A 59 1.666 3.717 1.992 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.393 1.363 2.175 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.234 1.499 2.812 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.740 1.734 -0.453 1.00 0.00 H new ATOM 0 HE1 TRP A 59 0.133 1.597 -2.471 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.704 1.963 2.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.718 1.593 -2.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -4.851 1.893 0.813 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.864 1.709 -1.661 1.00 0.00 H new ATOM 1033 N PHE A 60 -1.603 4.064 2.445 1.00 0.00 N ATOM 1034 CA PHE A 60 -2.766 4.871 1.983 1.00 0.00 C ATOM 1035 C PHE A 60 -2.294 6.290 1.653 1.00 0.00 C ATOM 1036 O PHE A 60 -2.477 6.777 0.556 1.00 0.00 O ATOM 1037 CB PHE A 60 -3.820 4.930 3.092 1.00 0.00 C ATOM 1038 CG PHE A 60 -4.754 3.751 2.971 1.00 0.00 C ATOM 1039 CD1 PHE A 60 -5.904 3.846 2.179 1.00 0.00 C ATOM 1040 CD2 PHE A 60 -4.471 2.561 3.652 1.00 0.00 C ATOM 1041 CE1 PHE A 60 -6.770 2.753 2.068 1.00 0.00 C ATOM 1042 CE2 PHE A 60 -5.338 1.466 3.541 1.00 0.00 C ATOM 1043 CZ PHE A 60 -6.488 1.563 2.748 1.00 0.00 C ATOM 0 H PHE A 60 -1.811 3.382 3.174 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.201 4.412 1.095 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.335 4.923 4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.383 5.861 3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.123 4.764 1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.584 2.487 4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.657 2.828 1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.120 0.548 4.067 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.157 0.720 2.661 1.00 0.00 H new ATOM 1053 N GLN A 61 -1.681 6.953 2.597 1.00 0.00 N ATOM 1054 CA GLN A 61 -1.189 8.336 2.340 1.00 0.00 C ATOM 1055 C GLN A 61 -0.697 8.439 0.897 1.00 0.00 C ATOM 1056 O GLN A 61 -1.072 9.331 0.163 1.00 0.00 O ATOM 1057 CB GLN A 61 -0.035 8.651 3.294 1.00 0.00 C ATOM 1058 CG GLN A 61 0.443 10.086 3.065 1.00 0.00 C ATOM 1059 CD GLN A 61 0.856 10.705 4.401 1.00 0.00 C ATOM 1060 OE1 GLN A 61 1.993 11.097 4.576 1.00 0.00 O ATOM 1061 NE2 GLN A 61 -0.025 10.810 5.358 1.00 0.00 N ATOM 0 H GLN A 61 -1.500 6.596 3.535 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.999 9.047 2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.359 8.525 4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.786 7.953 3.131 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.285 10.094 2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.351 10.677 2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.979 10.481 5.211 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.241 11.221 6.253 1.00 0.00 H new ATOM 1070 N ASN A 62 0.139 7.527 0.482 1.00 0.00 N ATOM 1071 CA ASN A 62 0.654 7.567 -0.913 1.00 0.00 C ATOM 1072 C ASN A 62 -0.524 7.538 -1.887 1.00 0.00 C ATOM 1073 O ASN A 62 -0.672 8.405 -2.725 1.00 0.00 O ATOM 1074 CB ASN A 62 1.550 6.352 -1.161 1.00 0.00 C ATOM 1075 CG ASN A 62 1.765 6.175 -2.665 1.00 0.00 C ATOM 1076 OD1 ASN A 62 0.786 5.731 -3.405 1.00 0.00 O flip ATOM 1077 ND2 ASN A 62 2.835 6.445 -3.172 1.00 0.00 N flip ATOM 0 H ASN A 62 0.487 6.755 1.051 1.00 0.00 H new ATOM 0 HA ASN A 62 1.231 8.479 -1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.508 6.485 -0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.092 5.457 -0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.600 6.792 -2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.968 6.325 -4.176 1.00 0.00 H new ATOM 1084 N HIS A 63 -1.369 6.549 -1.778 1.00 0.00 N ATOM 1085 CA HIS A 63 -2.540 6.469 -2.694 1.00 0.00 C ATOM 1086 C HIS A 63 -3.543 7.556 -2.317 1.00 0.00 C ATOM 1087 O HIS A 63 -4.096 8.226 -3.165 1.00 0.00 O ATOM 1088 CB HIS A 63 -3.202 5.095 -2.563 1.00 0.00 C ATOM 1089 CG HIS A 63 -2.686 4.185 -3.644 1.00 0.00 C ATOM 1090 ND1 HIS A 63 -1.441 3.583 -3.571 1.00 0.00 N ATOM 1091 CD2 HIS A 63 -3.238 3.768 -4.828 1.00 0.00 C ATOM 1092 CE1 HIS A 63 -1.284 2.842 -4.684 1.00 0.00 C ATOM 1093 NE2 HIS A 63 -2.350 2.920 -5.485 1.00 0.00 N ATOM 0 H HIS A 63 -1.298 5.795 -1.095 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.211 6.612 -3.723 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.990 4.669 -1.582 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.285 5.192 -2.641 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -0.766 3.683 -2.813 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.213 4.054 -5.195 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.404 2.256 -4.903 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.485 2.458 -6.384 1.00 0.00 H new ATOM 1101 N ARG A 64 -3.776 7.740 -1.045 1.00 0.00 N ATOM 1102 CA ARG A 64 -4.738 8.788 -0.607 1.00 0.00 C ATOM 1103 C ARG A 64 -4.638 9.989 -1.545 1.00 0.00 C ATOM 1104 O ARG A 64 -5.624 10.458 -2.074 1.00 0.00 O ATOM 1105 CB ARG A 64 -4.397 9.224 0.819 1.00 0.00 C ATOM 1106 CG ARG A 64 -5.602 9.930 1.447 1.00 0.00 C ATOM 1107 CD ARG A 64 -5.692 11.370 0.932 1.00 0.00 C ATOM 1108 NE ARG A 64 -4.336 12.007 0.950 1.00 0.00 N ATOM 1109 CZ ARG A 64 -3.592 11.990 2.024 1.00 0.00 C ATOM 1110 NH1 ARG A 64 -4.079 11.572 3.160 1.00 0.00 N ATOM 1111 NH2 ARG A 64 -2.369 12.443 1.973 1.00 0.00 N ATOM 0 H ARG A 64 -3.341 7.209 -0.291 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.752 8.389 -0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.119 8.357 1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.537 9.893 0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.517 9.390 1.204 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.510 9.928 2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.093 11.378 -0.082 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.381 11.944 1.552 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.987 12.463 0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.047 11.255 3.214 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.492 11.562 3.994 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.997 12.809 1.097 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.785 12.431 2.810 1.00 0.00 H new ATOM 1125 N TYR A 65 -3.452 10.493 -1.749 1.00 0.00 N ATOM 1126 CA TYR A 65 -3.274 11.672 -2.650 1.00 0.00 C ATOM 1127 C TYR A 65 -3.566 11.284 -4.105 1.00 0.00 C ATOM 1128 O TYR A 65 -4.216 12.014 -4.827 1.00 0.00 O ATOM 1129 CB TYR A 65 -1.835 12.178 -2.541 1.00 0.00 C ATOM 1130 CG TYR A 65 -1.832 13.686 -2.471 1.00 0.00 C ATOM 1131 CD1 TYR A 65 -1.812 14.440 -3.649 1.00 0.00 C ATOM 1132 CD2 TYR A 65 -1.847 14.327 -1.228 1.00 0.00 C ATOM 1133 CE1 TYR A 65 -1.809 15.839 -3.583 1.00 0.00 C ATOM 1134 CE2 TYR A 65 -1.843 15.725 -1.162 1.00 0.00 C ATOM 1135 CZ TYR A 65 -1.824 16.481 -2.339 1.00 0.00 C ATOM 1136 OH TYR A 65 -1.821 17.860 -2.274 1.00 0.00 O ATOM 0 H TYR A 65 -2.593 10.138 -1.329 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.969 12.455 -2.348 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.359 11.762 -1.653 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.255 11.843 -3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.799 13.944 -4.608 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.862 13.743 -0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.795 16.422 -4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.855 16.220 -0.202 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.834 18.143 -1.336 1.00 0.00 H new ATOM 1146 N LYS A 66 -3.081 10.158 -4.556 1.00 0.00 N ATOM 1147 CA LYS A 66 -3.333 9.760 -5.969 1.00 0.00 C ATOM 1148 C LYS A 66 -4.741 9.177 -6.108 1.00 0.00 C ATOM 1149 O LYS A 66 -5.451 9.482 -7.046 1.00 0.00 O ATOM 1150 CB LYS A 66 -2.302 8.718 -6.403 1.00 0.00 C ATOM 1151 CG LYS A 66 -0.930 9.382 -6.539 1.00 0.00 C ATOM 1152 CD LYS A 66 0.137 8.490 -5.902 1.00 0.00 C ATOM 1153 CE LYS A 66 0.347 7.247 -6.767 1.00 0.00 C ATOM 1154 NZ LYS A 66 0.756 7.660 -8.140 1.00 0.00 N ATOM 0 H LYS A 66 -2.524 9.501 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.248 10.641 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.256 7.910 -5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.598 8.272 -7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.698 9.549 -7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.938 10.359 -6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.073 9.039 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.170 8.199 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.112 6.608 -6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.571 6.662 -6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.107 7.241 -8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.722 8.697 -8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.725 7.331 -8.327 1.00 0.00 H new ATOM 1168 N THR A 67 -5.161 8.344 -5.192 1.00 0.00 N ATOM 1169 CA THR A 67 -6.530 7.770 -5.305 1.00 0.00 C ATOM 1170 C THR A 67 -7.485 8.886 -5.724 1.00 0.00 C ATOM 1171 O THR A 67 -8.590 8.647 -6.166 1.00 0.00 O ATOM 1172 CB THR A 67 -6.969 7.197 -3.955 1.00 0.00 C ATOM 1173 OG1 THR A 67 -6.256 7.844 -2.911 1.00 0.00 O ATOM 1174 CG2 THR A 67 -6.684 5.695 -3.921 1.00 0.00 C ATOM 0 H THR A 67 -4.622 8.041 -4.381 1.00 0.00 H new ATOM 0 HA THR A 67 -6.538 6.968 -6.043 1.00 0.00 H new ATOM 0 HB THR A 67 -8.037 7.364 -3.819 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.495 8.333 -3.289 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.997 5.287 -2.960 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.236 5.202 -4.721 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.616 5.524 -4.058 1.00 0.00 H new ATOM 1182 N LYS A 68 -7.050 10.108 -5.590 1.00 0.00 N ATOM 1183 CA LYS A 68 -7.903 11.262 -5.980 1.00 0.00 C ATOM 1184 C LYS A 68 -7.697 11.554 -7.466 1.00 0.00 C ATOM 1185 O LYS A 68 -8.615 11.913 -8.176 1.00 0.00 O ATOM 1186 CB LYS A 68 -7.500 12.481 -5.150 1.00 0.00 C ATOM 1187 CG LYS A 68 -6.961 12.002 -3.807 1.00 0.00 C ATOM 1188 CD LYS A 68 -6.545 13.204 -2.956 1.00 0.00 C ATOM 1189 CE LYS A 68 -7.778 14.048 -2.625 1.00 0.00 C ATOM 1190 NZ LYS A 68 -7.573 14.748 -1.324 1.00 0.00 N ATOM 0 H LYS A 68 -6.131 10.357 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.953 11.033 -5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.742 13.062 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.358 13.137 -5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.722 11.422 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.108 11.342 -3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.067 12.864 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.812 13.807 -3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.956 14.776 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.662 13.413 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.412 15.321 -1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.424 14.046 -0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.740 15.367 -1.390 1.00 0.00 H new ATOM 1204 N ARG A 69 -6.492 11.394 -7.942 1.00 0.00 N ATOM 1205 CA ARG A 69 -6.212 11.650 -9.381 1.00 0.00 C ATOM 1206 C ARG A 69 -6.764 10.492 -10.214 1.00 0.00 C ATOM 1207 O ARG A 69 -7.158 10.662 -11.350 1.00 0.00 O ATOM 1208 CB ARG A 69 -4.700 11.753 -9.585 1.00 0.00 C ATOM 1209 CG ARG A 69 -4.149 12.916 -8.759 1.00 0.00 C ATOM 1210 CD ARG A 69 -3.229 13.772 -9.630 1.00 0.00 C ATOM 1211 NE ARG A 69 -2.895 15.031 -8.907 1.00 0.00 N ATOM 1212 CZ ARG A 69 -1.909 15.778 -9.320 1.00 0.00 C ATOM 1213 NH1 ARG A 69 -1.217 15.425 -10.368 1.00 0.00 N ATOM 1214 NH2 ARG A 69 -1.617 16.880 -8.685 1.00 0.00 N ATOM 0 H ARG A 69 -5.687 11.095 -7.392 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.687 12.580 -9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.218 10.822 -9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.475 11.905 -10.641 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.969 13.522 -8.373 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.601 12.536 -7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.318 13.222 -9.866 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.717 14.002 -10.577 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.437 15.309 -8.089 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.447 14.564 -10.865 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.446 16.010 -10.691 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.160 17.156 -7.867 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.846 17.465 -9.007 1.00 0.00 H new ATOM 1228 N ALA A 70 -6.793 9.313 -9.654 1.00 0.00 N ATOM 1229 CA ALA A 70 -7.316 8.141 -10.407 1.00 0.00 C ATOM 1230 C ALA A 70 -8.746 8.430 -10.867 1.00 0.00 C ATOM 1231 O ALA A 70 -9.074 8.295 -12.029 1.00 0.00 O ATOM 1232 CB ALA A 70 -7.313 6.908 -9.500 1.00 0.00 C ATOM 0 H ALA A 70 -6.476 9.112 -8.706 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.684 7.955 -11.275 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.696 6.050 -10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.295 6.702 -9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.946 7.093 -8.632 1.00 0.00 H new ATOM 1238 N GLN A 71 -9.597 8.831 -9.964 1.00 0.00 N ATOM 1239 CA GLN A 71 -11.003 9.132 -10.350 1.00 0.00 C ATOM 1240 C GLN A 71 -11.023 9.781 -11.736 1.00 0.00 C ATOM 1241 O GLN A 71 -11.958 9.619 -12.494 1.00 0.00 O ATOM 1242 CB GLN A 71 -11.614 10.093 -9.328 1.00 0.00 C ATOM 1243 CG GLN A 71 -12.504 9.311 -8.361 1.00 0.00 C ATOM 1244 CD GLN A 71 -13.013 10.249 -7.265 1.00 0.00 C ATOM 1245 OE1 GLN A 71 -13.162 11.434 -7.486 1.00 0.00 O ATOM 1246 NE2 GLN A 71 -13.284 9.766 -6.084 1.00 0.00 N ATOM 0 H GLN A 71 -9.380 8.963 -8.976 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.581 8.208 -10.374 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.825 10.606 -8.778 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.198 10.859 -9.838 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.345 8.872 -8.898 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.943 8.488 -7.919 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.159 8.771 -5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.621 10.384 -5.346 1.00 0.00 H new ATOM 1255 N ASN A 72 -9.998 10.515 -12.069 1.00 0.00 N ATOM 1256 CA ASN A 72 -9.956 11.178 -13.404 1.00 0.00 C ATOM 1257 C ASN A 72 -9.624 10.144 -14.484 1.00 0.00 C ATOM 1258 O ASN A 72 -10.168 10.172 -15.570 1.00 0.00 O ATOM 1259 CB ASN A 72 -8.880 12.266 -13.396 1.00 0.00 C ATOM 1260 CG ASN A 72 -8.849 12.967 -14.756 1.00 0.00 C ATOM 1261 OD1 ASN A 72 -7.815 13.046 -15.389 1.00 0.00 O ATOM 1262 ND2 ASN A 72 -9.948 13.484 -15.236 1.00 0.00 N ATOM 0 H ASN A 72 -9.187 10.685 -11.475 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.928 11.623 -13.617 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.086 12.990 -12.607 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.906 11.827 -13.180 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.938 13.954 -16.141 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.817 13.418 -14.705 1.00 0.00 H new ATOM 1269 N GLU A 73 -8.756 9.215 -14.186 1.00 0.00 N ATOM 1270 CA GLU A 73 -8.415 8.167 -15.186 1.00 0.00 C ATOM 1271 C GLU A 73 -9.425 7.051 -15.011 1.00 0.00 C ATOM 1272 O GLU A 73 -9.166 5.895 -15.282 1.00 0.00 O ATOM 1273 CB GLU A 73 -7.000 7.641 -14.923 1.00 0.00 C ATOM 1274 CG GLU A 73 -6.013 8.810 -14.933 1.00 0.00 C ATOM 1275 CD GLU A 73 -5.242 8.821 -16.255 1.00 0.00 C ATOM 1276 OE1 GLU A 73 -5.777 8.325 -17.234 1.00 0.00 O ATOM 1277 OE2 GLU A 73 -4.131 9.324 -16.266 1.00 0.00 O ATOM 0 H GLU A 73 -8.269 9.138 -13.293 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.444 8.564 -16.201 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.964 7.128 -13.962 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.724 6.911 -15.684 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.547 9.751 -14.804 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.319 8.721 -14.097 1.00 0.00 H new ATOM 1284 N LYS A 74 -10.566 7.403 -14.501 1.00 0.00 N ATOM 1285 CA LYS A 74 -11.607 6.393 -14.228 1.00 0.00 C ATOM 1286 C LYS A 74 -12.969 6.914 -14.696 1.00 0.00 C ATOM 1287 O LYS A 74 -13.072 7.598 -15.695 1.00 0.00 O ATOM 1288 CB LYS A 74 -11.612 6.172 -12.720 1.00 0.00 C ATOM 1289 CG LYS A 74 -11.529 4.673 -12.416 1.00 0.00 C ATOM 1290 CD LYS A 74 -10.068 4.220 -12.454 1.00 0.00 C ATOM 1291 CE LYS A 74 -10.002 2.747 -12.868 1.00 0.00 C ATOM 1292 NZ LYS A 74 -10.270 2.628 -14.330 1.00 0.00 N ATOM 0 H LYS A 74 -10.821 8.361 -14.260 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.408 5.461 -14.757 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.770 6.692 -12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.519 6.591 -12.285 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.959 4.466 -11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.113 4.111 -13.145 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.504 4.832 -13.158 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.609 4.355 -11.475 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.020 2.336 -12.633 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.733 2.167 -12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.874 1.734 -14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.296 2.642 -14.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.827 3.425 -14.830 1.00 0.00 H new ATOM 1306 N GLY A 75 -14.017 6.596 -13.987 1.00 0.00 N ATOM 1307 CA GLY A 75 -15.367 7.077 -14.397 1.00 0.00 C ATOM 1308 C GLY A 75 -16.419 6.034 -14.015 1.00 0.00 C ATOM 1309 O GLY A 75 -16.199 4.845 -14.133 1.00 0.00 O ATOM 0 H GLY A 75 -13.997 6.025 -13.142 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.589 8.027 -13.911 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.390 7.255 -15.472 1.00 0.00 H new ATOM 1313 N TYR A 76 -17.560 6.469 -13.555 1.00 0.00 N ATOM 1314 CA TYR A 76 -18.623 5.500 -13.166 1.00 0.00 C ATOM 1315 C TYR A 76 -19.971 5.964 -13.721 1.00 0.00 C ATOM 1316 O TYR A 76 -20.947 6.064 -13.004 1.00 0.00 O ATOM 1317 CB TYR A 76 -18.703 5.415 -11.641 1.00 0.00 C ATOM 1318 CG TYR A 76 -17.679 4.429 -11.138 1.00 0.00 C ATOM 1319 CD1 TYR A 76 -17.898 3.055 -11.291 1.00 0.00 C ATOM 1320 CD2 TYR A 76 -16.510 4.887 -10.518 1.00 0.00 C ATOM 1321 CE1 TYR A 76 -16.949 2.139 -10.825 1.00 0.00 C ATOM 1322 CE2 TYR A 76 -15.562 3.971 -10.051 1.00 0.00 C ATOM 1323 CZ TYR A 76 -15.781 2.596 -10.205 1.00 0.00 C ATOM 1324 OH TYR A 76 -14.845 1.692 -9.744 1.00 0.00 O ATOM 0 H TYR A 76 -17.802 7.452 -13.432 1.00 0.00 H new ATOM 0 HA TYR A 76 -18.382 4.518 -13.574 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.525 6.396 -11.202 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -19.702 5.105 -11.335 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.800 2.702 -11.769 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -16.341 5.947 -10.400 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -17.118 1.079 -10.944 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -14.661 4.324 -9.572 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.094 2.176 -9.341 1.00 0.00 H new ATOM 1334 N GLU A 77 -20.033 6.246 -14.993 1.00 0.00 N ATOM 1335 CA GLU A 77 -21.318 6.702 -15.590 1.00 0.00 C ATOM 1336 C GLU A 77 -22.432 5.719 -15.220 1.00 0.00 C ATOM 1337 O GLU A 77 -23.584 5.922 -15.547 1.00 0.00 O ATOM 1338 CB GLU A 77 -21.175 6.762 -17.112 1.00 0.00 C ATOM 1339 CG GLU A 77 -20.703 5.402 -17.631 1.00 0.00 C ATOM 1340 CD GLU A 77 -20.227 5.545 -19.077 1.00 0.00 C ATOM 1341 OE1 GLU A 77 -20.016 6.668 -19.502 1.00 0.00 O ATOM 1342 OE2 GLU A 77 -20.082 4.528 -19.735 1.00 0.00 O ATOM 0 H GLU A 77 -19.250 6.180 -15.644 1.00 0.00 H new ATOM 0 HA GLU A 77 -21.567 7.691 -15.207 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -22.129 7.027 -17.568 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -20.462 7.538 -17.391 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -19.894 5.023 -17.006 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -21.515 4.677 -17.574 1.00 0.00 H new ATOM 1349 N GLY A 78 -22.098 4.657 -14.541 1.00 0.00 N ATOM 1350 CA GLY A 78 -23.138 3.662 -14.150 1.00 0.00 C ATOM 1351 C GLY A 78 -23.849 3.140 -15.401 1.00 0.00 C ATOM 1352 O GLY A 78 -23.537 2.080 -15.906 1.00 0.00 O ATOM 0 H GLY A 78 -21.149 4.434 -14.239 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.678 2.835 -13.609 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -23.860 4.122 -13.475 1.00 0.00 H new ATOM 1356 N HIS A 79 -24.803 3.876 -15.905 1.00 0.00 N ATOM 1357 CA HIS A 79 -25.533 3.419 -17.121 1.00 0.00 C ATOM 1358 C HIS A 79 -26.656 2.462 -16.713 1.00 0.00 C ATOM 1359 O HIS A 79 -26.801 1.397 -17.280 1.00 0.00 O ATOM 1360 CB HIS A 79 -24.559 2.697 -18.056 1.00 0.00 C ATOM 1361 CG HIS A 79 -24.985 2.898 -19.485 1.00 0.00 C ATOM 1362 ND1 HIS A 79 -26.206 2.449 -19.963 1.00 0.00 N ATOM 1363 CD2 HIS A 79 -24.361 3.495 -20.552 1.00 0.00 C ATOM 1364 CE1 HIS A 79 -26.277 2.779 -21.266 1.00 0.00 C ATOM 1365 NE2 HIS A 79 -25.179 3.418 -21.676 1.00 0.00 N ATOM 0 H HIS A 79 -25.108 4.773 -15.527 1.00 0.00 H new ATOM 0 HA HIS A 79 -25.961 4.280 -17.635 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -23.549 3.080 -17.910 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -24.534 1.633 -17.820 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -26.920 1.958 -19.425 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -23.384 3.955 -20.524 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -27.120 2.554 -21.903 1.00 0.00 H new ATOM 1373 N PRO A 80 -27.415 2.879 -15.736 1.00 0.00 N ATOM 1374 CA PRO A 80 -28.528 2.022 -15.272 1.00 0.00 C ATOM 1375 C PRO A 80 -29.185 1.319 -16.464 1.00 0.00 C ATOM 1376 O PRO A 80 -29.221 0.100 -16.460 1.00 0.00 O ATOM 1377 CB PRO A 80 -29.525 2.969 -14.595 1.00 0.00 C ATOM 1378 CG PRO A 80 -28.947 4.397 -14.685 1.00 0.00 C ATOM 1379 CD PRO A 80 -27.603 4.310 -15.419 1.00 0.00 C ATOM 1380 OXT PRO A 80 -29.640 2.013 -17.357 1.00 0.00 O ATOM 0 HA PRO A 80 -28.184 1.246 -14.588 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -30.496 2.917 -15.087 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -29.679 2.683 -13.554 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -29.633 5.054 -15.219 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -28.812 4.819 -13.689 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -27.612 4.914 -16.326 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -26.791 4.683 -14.795 1.00 0.00 H new TER 1388 PRO A 80