USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 766 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 20 LYS NZ :NH3+ -179:sc= 1.78 (180deg=1.13) USER MOD Set 1.2: A 88 THR OG1 : rot -87:sc= 1.81 USER MOD Set 2.1: A 78 HIS : no HE2:sc= -0.239 K(o=1,f=-6.4!) USER MOD Set 2.2: B 208 THR OG1 : rot 112:sc= 1.24 USER MOD Single : A 8 MET CE :methyl 160:sc= -0.0666 (180deg=-0.622) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -39:sc= 0.836 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 34 ASN : amide:sc= -0.0329 K(o=-0.033,f=-1.3) USER MOD Single : A 35 THR OG1 : rot 136:sc= 1.26 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0644 X(o=-0.064,f=-0.014) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.01 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -48:sc= 0.0344 USER MOD Single : A 60 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.22) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.857 K(o=0.86,f=-3.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0.00769 USER MOD Single : A 77 THR OG1 : rot -160:sc= -0.163 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 98:sc= 1.22 USER MOD Single : A 87 ASN : amide:sc= 0.333 X(o=0.33,f=0) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 93 HIS : no HD1:sc= -0.193 K(o=-0.19,f=-0.87) USER MOD Single : A 98 LYS NZ :NH3+ 137:sc= 1.59 (180deg=-0.233) USER MOD Single : A 100 GLN : amide:sc= 0.0888 K(o=0.089,f=-5!) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 SER OG : rot 29:sc= 0.0684 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -12.365 -10.295 -1.034 1.00 0.00 N ATOM 2 CA MET A 8 -12.637 -11.177 0.058 1.00 0.00 C ATOM 3 C MET A 8 -12.528 -12.604 -0.358 1.00 0.00 C ATOM 4 O MET A 8 -12.524 -13.510 0.475 1.00 0.00 O ATOM 5 CB MET A 8 -14.005 -10.910 0.709 1.00 0.00 C ATOM 6 CG MET A 8 -14.032 -9.590 1.482 1.00 0.00 C ATOM 7 SD MET A 8 -15.588 -9.287 2.374 1.00 0.00 S ATOM 8 CE MET A 8 -15.456 -10.619 3.600 1.00 0.00 C ATOM 0 HA MET A 8 -11.876 -10.974 0.811 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.775 -10.893 -0.062 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.249 -11.729 1.385 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.208 -9.582 2.196 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.858 -8.769 0.786 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.107 -10.400 4.446 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.756 -11.563 3.145 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.425 -10.695 3.946 1.00 0.00 H new ATOM 18 N LYS A 9 -12.404 -12.867 -1.671 1.00 0.00 N ATOM 19 CA LYS A 9 -12.011 -14.149 -2.169 1.00 0.00 C ATOM 20 C LYS A 9 -10.574 -14.059 -2.552 1.00 0.00 C ATOM 21 O LYS A 9 -10.213 -13.033 -3.126 1.00 0.00 O ATOM 22 CB LYS A 9 -12.804 -14.564 -3.421 1.00 0.00 C ATOM 23 CG LYS A 9 -14.292 -14.816 -3.169 1.00 0.00 C ATOM 24 CD LYS A 9 -14.946 -15.576 -4.325 1.00 0.00 C ATOM 25 CE LYS A 9 -14.940 -14.819 -5.655 1.00 0.00 C ATOM 26 NZ LYS A 9 -15.310 -15.730 -6.761 1.00 0.00 N ATOM 0 H LYS A 9 -12.580 -12.176 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.199 -14.889 -1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.702 -13.785 -4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.359 -15.469 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.413 -15.384 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.802 -13.864 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.430 -16.527 -4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.977 -15.808 -4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.641 -13.985 -5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.952 -14.396 -5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.303 -15.206 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.626 -16.512 -6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.262 -16.113 -6.591 1.00 0.00 H new ATOM 40 N PRO A 10 -9.708 -14.998 -2.312 1.00 0.00 N ATOM 41 CA PRO A 10 -8.314 -14.842 -2.610 1.00 0.00 C ATOM 42 C PRO A 10 -7.957 -14.556 -4.029 1.00 0.00 C ATOM 43 O PRO A 10 -8.179 -15.397 -4.899 1.00 0.00 O ATOM 44 CB PRO A 10 -7.660 -16.134 -2.126 1.00 0.00 C ATOM 45 CG PRO A 10 -8.466 -16.380 -0.841 1.00 0.00 C ATOM 46 CD PRO A 10 -9.891 -16.005 -1.278 1.00 0.00 C ATOM 0 HA PRO A 10 -7.956 -13.944 -2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.764 -16.947 -2.844 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.594 -16.014 -1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.400 -17.417 -0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.116 -15.760 -0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.429 -16.872 -1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.471 -15.614 -0.442 1.00 0.00 H new ATOM 54 N GLY A 11 -7.388 -13.367 -4.289 1.00 0.00 N ATOM 55 CA GLY A 11 -6.996 -12.930 -5.594 1.00 0.00 C ATOM 56 C GLY A 11 -7.537 -11.597 -5.980 1.00 0.00 C ATOM 57 O GLY A 11 -7.295 -11.160 -7.105 1.00 0.00 O ATOM 0 H GLY A 11 -7.192 -12.680 -3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.908 -12.895 -5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.324 -13.668 -6.326 1.00 0.00 H new ATOM 61 N ASP A 12 -8.280 -10.893 -5.108 1.00 0.00 N ATOM 62 CA ASP A 12 -8.802 -9.595 -5.408 1.00 0.00 C ATOM 63 C ASP A 12 -7.825 -8.545 -5.008 1.00 0.00 C ATOM 64 O ASP A 12 -7.592 -8.304 -3.824 1.00 0.00 O ATOM 65 CB ASP A 12 -10.158 -9.368 -4.718 1.00 0.00 C ATOM 66 CG ASP A 12 -11.320 -10.084 -5.392 1.00 0.00 C ATOM 67 OD1 ASP A 12 -11.157 -10.625 -6.518 1.00 0.00 O ATOM 68 OD2 ASP A 12 -12.440 -10.066 -4.815 1.00 0.00 O ATOM 0 H ASP A 12 -8.523 -11.231 -4.177 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.964 -9.532 -6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.089 -9.703 -3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.368 -8.299 -4.694 1.00 0.00 H new ATOM 73 N THR A 13 -7.201 -7.868 -5.988 1.00 0.00 N ATOM 74 CA THR A 13 -6.367 -6.729 -5.762 1.00 0.00 C ATOM 75 C THR A 13 -7.114 -5.455 -5.960 1.00 0.00 C ATOM 76 O THR A 13 -8.103 -5.379 -6.688 1.00 0.00 O ATOM 77 CB THR A 13 -5.137 -6.644 -6.616 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.421 -6.897 -7.985 1.00 0.00 O ATOM 79 CG2 THR A 13 -4.108 -7.687 -6.147 1.00 0.00 C ATOM 0 H THR A 13 -7.280 -8.123 -6.973 1.00 0.00 H new ATOM 0 HA THR A 13 -6.049 -6.867 -4.729 1.00 0.00 H new ATOM 0 HB THR A 13 -4.747 -5.631 -6.517 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.595 -6.831 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.215 -7.623 -6.769 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.841 -7.493 -5.108 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.538 -8.685 -6.231 1.00 0.00 H new ATOM 87 N PHE A 14 -6.632 -4.377 -5.317 1.00 0.00 N ATOM 88 CA PHE A 14 -7.159 -3.053 -5.436 1.00 0.00 C ATOM 89 C PHE A 14 -6.001 -2.134 -5.625 1.00 0.00 C ATOM 90 O PHE A 14 -4.983 -2.247 -4.944 1.00 0.00 O ATOM 91 CB PHE A 14 -8.113 -2.578 -4.327 1.00 0.00 C ATOM 92 CG PHE A 14 -7.855 -3.030 -2.932 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.728 -4.349 -2.566 1.00 0.00 C ATOM 94 CD2 PHE A 14 -7.845 -2.090 -1.928 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.453 -4.715 -1.269 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.577 -2.436 -0.624 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.372 -3.754 -0.289 1.00 0.00 C ATOM 0 H PHE A 14 -5.835 -4.432 -4.683 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.827 -3.052 -6.297 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.109 -1.488 -4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.121 -2.894 -4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.847 -5.117 -3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.052 -1.058 -2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.301 -5.755 -1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.528 -1.672 0.138 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.150 -4.031 0.731 1.00 0.00 H new ATOM 107 N GLU A 15 -6.103 -1.218 -6.604 1.00 0.00 N ATOM 108 CA GLU A 15 -5.079 -0.288 -6.966 1.00 0.00 C ATOM 109 C GLU A 15 -5.520 1.086 -6.594 1.00 0.00 C ATOM 110 O GLU A 15 -5.955 1.881 -7.426 1.00 0.00 O ATOM 111 CB GLU A 15 -4.735 -0.354 -8.464 1.00 0.00 C ATOM 112 CG GLU A 15 -4.453 -1.746 -9.030 1.00 0.00 C ATOM 113 CD GLU A 15 -4.187 -1.672 -10.527 1.00 0.00 C ATOM 114 OE1 GLU A 15 -3.215 -0.997 -10.960 1.00 0.00 O ATOM 115 OE2 GLU A 15 -4.948 -2.304 -11.308 1.00 0.00 O ATOM 0 H GLU A 15 -6.944 -1.121 -7.173 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.171 -0.551 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.561 0.083 -9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.861 0.272 -8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.592 -2.183 -8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.302 -2.401 -8.838 1.00 0.00 H new ATOM 122 N VAL A 16 -5.462 1.413 -5.290 1.00 0.00 N ATOM 123 CA VAL A 16 -6.027 2.584 -4.698 1.00 0.00 C ATOM 124 C VAL A 16 -5.133 3.776 -4.709 1.00 0.00 C ATOM 125 O VAL A 16 -4.071 3.739 -4.090 1.00 0.00 O ATOM 126 CB VAL A 16 -6.328 2.350 -3.247 1.00 0.00 C ATOM 127 CG1 VAL A 16 -7.364 3.402 -2.818 1.00 0.00 C ATOM 128 CG2 VAL A 16 -6.846 0.920 -3.016 1.00 0.00 C ATOM 0 H VAL A 16 -4.990 0.820 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.911 2.779 -5.305 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.424 2.450 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.609 3.263 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.952 4.400 -2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.267 3.289 -3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.057 0.776 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.759 0.766 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.090 0.203 -3.336 1.00 0.00 H new ATOM 138 N GLU A 17 -5.484 4.903 -5.354 1.00 0.00 N ATOM 139 CA GLU A 17 -4.705 6.099 -5.263 1.00 0.00 C ATOM 140 C GLU A 17 -5.280 7.066 -4.286 1.00 0.00 C ATOM 141 O GLU A 17 -6.460 7.411 -4.322 1.00 0.00 O ATOM 142 CB GLU A 17 -4.320 6.713 -6.619 1.00 0.00 C ATOM 143 CG GLU A 17 -5.167 7.849 -7.198 1.00 0.00 C ATOM 144 CD GLU A 17 -6.496 7.462 -7.829 1.00 0.00 C ATOM 145 OE1 GLU A 17 -6.892 6.266 -7.844 1.00 0.00 O ATOM 146 OE2 GLU A 17 -7.158 8.382 -8.379 1.00 0.00 O ATOM 0 H GLU A 17 -6.313 4.986 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.741 5.798 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.297 7.079 -6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.310 5.906 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.366 8.565 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.572 8.367 -7.950 1.00 0.00 H new ATOM 153 N LEU A 18 -4.450 7.513 -3.326 1.00 0.00 N ATOM 154 CA LEU A 18 -4.854 8.443 -2.318 1.00 0.00 C ATOM 155 C LEU A 18 -3.686 9.298 -1.965 1.00 0.00 C ATOM 156 O LEU A 18 -2.555 9.044 -2.375 1.00 0.00 O ATOM 157 CB LEU A 18 -5.401 7.783 -1.040 1.00 0.00 C ATOM 158 CG LEU A 18 -4.627 6.554 -0.536 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.694 6.480 0.999 1.00 0.00 C ATOM 160 CD2 LEU A 18 -5.231 5.255 -1.097 1.00 0.00 C ATOM 0 H LEU A 18 -3.476 7.221 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.674 9.026 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.416 8.530 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.435 7.489 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.595 6.656 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.143 5.606 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.253 7.380 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.734 6.401 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.665 4.401 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.270 5.169 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.187 5.274 -2.186 1.00 0.00 H new ATOM 172 N ALA A 19 -3.924 10.369 -1.187 1.00 0.00 N ATOM 173 CA ALA A 19 -2.918 11.274 -0.724 1.00 0.00 C ATOM 174 C ALA A 19 -2.736 11.150 0.750 1.00 0.00 C ATOM 175 O ALA A 19 -3.667 10.834 1.489 1.00 0.00 O ATOM 176 CB ALA A 19 -3.278 12.719 -1.108 1.00 0.00 C ATOM 0 H ALA A 19 -4.860 10.615 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.975 11.015 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.502 13.395 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.355 12.799 -2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.232 12.989 -0.656 1.00 0.00 H new ATOM 182 N LYS A 20 -1.507 11.374 1.246 1.00 0.00 N ATOM 183 CA LYS A 20 -1.193 11.281 2.637 1.00 0.00 C ATOM 184 C LYS A 20 -1.542 12.543 3.349 1.00 0.00 C ATOM 185 O LYS A 20 -1.406 13.632 2.793 1.00 0.00 O ATOM 186 CB LYS A 20 0.294 10.986 2.902 1.00 0.00 C ATOM 187 CG LYS A 20 0.989 10.081 1.882 1.00 0.00 C ATOM 188 CD LYS A 20 2.119 10.781 1.125 1.00 0.00 C ATOM 189 CE LYS A 20 3.462 10.697 1.853 1.00 0.00 C ATOM 190 NZ LYS A 20 4.530 11.308 1.030 1.00 0.00 N ATOM 0 H LYS A 20 -0.709 11.627 0.663 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.786 10.447 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.831 11.934 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.383 10.527 3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.391 9.208 2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.251 9.718 1.166 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.219 10.334 0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.856 11.828 0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.396 11.208 2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.706 9.655 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.440 11.229 1.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.591 10.813 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.311 12.311 0.866 1.00 0.00 H new ATOM 204 N THR A 21 -1.963 12.475 4.625 1.00 0.00 N ATOM 205 CA THR A 21 -2.139 13.634 5.443 1.00 0.00 C ATOM 206 C THR A 21 -0.891 13.844 6.229 1.00 0.00 C ATOM 207 O THR A 21 -0.674 13.267 7.293 1.00 0.00 O ATOM 208 CB THR A 21 -3.412 13.654 6.236 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.531 14.770 7.106 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.662 12.387 7.072 1.00 0.00 C ATOM 0 H THR A 21 -2.185 11.598 5.097 1.00 0.00 H new ATOM 0 HA THR A 21 -2.287 14.503 4.802 1.00 0.00 H new ATOM 0 HB THR A 21 -4.166 13.718 5.451 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.382 14.719 7.589 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.603 12.488 7.612 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.713 11.520 6.413 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.847 12.254 7.784 1.00 0.00 H new ATOM 218 N ASP A 22 0.008 14.674 5.669 1.00 0.00 N ATOM 219 CA ASP A 22 1.313 15.017 6.144 1.00 0.00 C ATOM 220 C ASP A 22 2.156 13.879 6.607 1.00 0.00 C ATOM 221 O ASP A 22 2.470 13.739 7.788 1.00 0.00 O ATOM 222 CB ASP A 22 1.256 16.176 7.154 1.00 0.00 C ATOM 223 CG ASP A 22 0.818 17.439 6.425 1.00 0.00 C ATOM 224 OD1 ASP A 22 1.497 17.807 5.430 1.00 0.00 O ATOM 225 OD2 ASP A 22 -0.206 18.054 6.824 1.00 0.00 O ATOM 0 H ASP A 22 -0.204 15.152 4.794 1.00 0.00 H new ATOM 0 HA ASP A 22 1.847 15.365 5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.558 15.943 7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.233 16.325 7.614 1.00 0.00 H new ATOM 230 N GLY A 23 2.564 13.012 5.664 1.00 0.00 N ATOM 231 CA GLY A 23 3.363 11.859 5.941 1.00 0.00 C ATOM 232 C GLY A 23 2.650 10.803 6.712 1.00 0.00 C ATOM 233 O GLY A 23 3.215 10.228 7.641 1.00 0.00 O ATOM 0 H GLY A 23 2.330 13.116 4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.711 11.435 4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.248 12.167 6.498 1.00 0.00 H new ATOM 237 N SER A 24 1.383 10.523 6.356 1.00 0.00 N ATOM 238 CA SER A 24 0.582 9.529 6.999 1.00 0.00 C ATOM 239 C SER A 24 -0.632 9.290 6.168 1.00 0.00 C ATOM 240 O SER A 24 -1.574 10.076 6.090 1.00 0.00 O ATOM 241 CB SER A 24 0.239 9.771 8.479 1.00 0.00 C ATOM 242 OG SER A 24 -0.689 10.820 8.716 1.00 0.00 O ATOM 0 H SER A 24 0.901 11.004 5.596 1.00 0.00 H new ATOM 0 HA SER A 24 1.200 8.633 7.058 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.163 8.849 8.899 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.160 9.992 9.018 1.00 0.00 H new ATOM 0 HG SER A 24 -0.507 11.562 8.102 1.00 0.00 H new ATOM 248 N LEU A 25 -0.658 8.136 5.478 1.00 0.00 N ATOM 249 CA LEU A 25 -1.829 7.536 4.916 1.00 0.00 C ATOM 250 C LEU A 25 -2.628 7.027 6.067 1.00 0.00 C ATOM 251 O LEU A 25 -3.826 7.259 6.224 1.00 0.00 O ATOM 252 CB LEU A 25 -1.398 6.325 4.071 1.00 0.00 C ATOM 253 CG LEU A 25 -0.353 6.632 2.985 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.431 5.360 2.620 1.00 0.00 C ATOM 255 CD2 LEU A 25 -1.024 7.301 1.774 1.00 0.00 C ATOM 0 H LEU A 25 0.186 7.591 5.302 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.389 8.242 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.996 5.561 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.281 5.900 3.595 1.00 0.00 H new ATOM 0 HG LEU A 25 0.377 7.344 3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.166 5.594 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.941 4.980 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.258 4.603 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.273 7.513 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.780 6.633 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.495 8.232 2.088 1.00 0.00 H new ATOM 267 N GLY A 26 -1.921 6.329 6.973 1.00 0.00 N ATOM 268 CA GLY A 26 -2.470 5.873 8.213 1.00 0.00 C ATOM 269 C GLY A 26 -2.363 4.393 8.337 1.00 0.00 C ATOM 270 O GLY A 26 -3.164 3.757 9.021 1.00 0.00 O ATOM 0 H GLY A 26 -0.942 6.075 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.947 6.349 9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.516 6.172 8.283 1.00 0.00 H new ATOM 274 N ILE A 27 -1.349 3.807 7.674 1.00 0.00 N ATOM 275 CA ILE A 27 -1.075 2.411 7.809 1.00 0.00 C ATOM 276 C ILE A 27 0.186 2.223 8.579 1.00 0.00 C ATOM 277 O ILE A 27 1.254 2.737 8.251 1.00 0.00 O ATOM 278 CB ILE A 27 -1.132 1.671 6.506 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.232 2.294 5.425 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.615 1.670 6.099 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.283 1.506 4.117 1.00 0.00 C ATOM 0 H ILE A 27 -0.718 4.302 7.043 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.874 1.948 8.388 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.747 0.657 6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.544 3.322 5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.796 2.332 5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.732 1.144 5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.203 1.168 6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.963 2.697 5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.367 1.980 3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.054 0.485 4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.306 1.490 3.741 1.00 0.00 H new ATOM 293 N SER A 28 0.052 1.471 9.687 1.00 0.00 N ATOM 294 CA SER A 28 1.131 1.001 10.499 1.00 0.00 C ATOM 295 C SER A 28 1.669 -0.261 9.917 1.00 0.00 C ATOM 296 O SER A 28 1.006 -1.296 9.924 1.00 0.00 O ATOM 297 CB SER A 28 0.734 0.669 11.947 1.00 0.00 C ATOM 298 OG SER A 28 0.269 1.824 12.629 1.00 0.00 O ATOM 0 H SER A 28 -0.860 1.175 10.034 1.00 0.00 H new ATOM 0 HA SER A 28 1.855 1.816 10.518 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.044 -0.095 11.948 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.591 0.252 12.475 1.00 0.00 H new ATOM 0 HG SER A 28 0.022 1.585 13.547 1.00 0.00 H new ATOM 304 N VAL A 29 2.896 -0.216 9.368 1.00 0.00 N ATOM 305 CA VAL A 29 3.431 -1.312 8.621 1.00 0.00 C ATOM 306 C VAL A 29 4.012 -2.427 9.422 1.00 0.00 C ATOM 307 O VAL A 29 4.704 -2.240 10.421 1.00 0.00 O ATOM 308 CB VAL A 29 4.390 -0.823 7.577 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.643 0.200 6.705 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.637 -0.193 8.222 1.00 0.00 C ATOM 0 H VAL A 29 3.522 0.586 9.442 1.00 0.00 H new ATOM 0 HA VAL A 29 2.565 -1.767 8.141 1.00 0.00 H new ATOM 0 HB VAL A 29 4.740 -1.656 6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.313 0.578 5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.783 -0.280 6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.303 1.028 7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.315 0.153 7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.338 0.651 8.843 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.143 -0.936 8.839 1.00 0.00 H new ATOM 320 N THR A 30 3.738 -3.676 9.004 1.00 0.00 N ATOM 321 CA THR A 30 4.351 -4.876 9.482 1.00 0.00 C ATOM 322 C THR A 30 4.727 -5.709 8.306 1.00 0.00 C ATOM 323 O THR A 30 4.372 -5.414 7.165 1.00 0.00 O ATOM 324 CB THR A 30 3.524 -5.665 10.453 1.00 0.00 C ATOM 325 OG1 THR A 30 4.196 -6.806 10.967 1.00 0.00 O ATOM 326 CG2 THR A 30 2.201 -6.138 9.827 1.00 0.00 C ATOM 0 H THR A 30 3.040 -3.858 8.283 1.00 0.00 H new ATOM 0 HA THR A 30 5.228 -4.579 10.057 1.00 0.00 H new ATOM 0 HB THR A 30 3.329 -4.973 11.272 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.608 -7.277 11.594 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.632 -6.706 10.564 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.620 -5.273 9.508 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.412 -6.771 8.965 1.00 0.00 H new ATOM 334 N GLY A 31 5.474 -6.805 8.533 1.00 0.00 N ATOM 335 CA GLY A 31 5.905 -7.727 7.527 1.00 0.00 C ATOM 336 C GLY A 31 7.202 -7.347 6.901 1.00 0.00 C ATOM 337 O GLY A 31 8.109 -6.834 7.556 1.00 0.00 O ATOM 0 H GLY A 31 5.794 -7.061 9.467 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.999 -8.719 7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.141 -7.794 6.753 1.00 0.00 H new ATOM 341 N GLY A 32 7.339 -7.601 5.588 1.00 0.00 N ATOM 342 CA GLY A 32 8.513 -7.269 4.840 1.00 0.00 C ATOM 343 C GLY A 32 9.402 -8.450 4.652 1.00 0.00 C ATOM 344 O GLY A 32 9.354 -9.417 5.412 1.00 0.00 O ATOM 0 H GLY A 32 6.613 -8.050 5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.224 -6.873 3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.061 -6.480 5.355 1.00 0.00 H new ATOM 348 N VAL A 33 10.284 -8.383 3.640 1.00 0.00 N ATOM 349 CA VAL A 33 11.155 -9.433 3.212 1.00 0.00 C ATOM 350 C VAL A 33 12.014 -10.001 4.289 1.00 0.00 C ATOM 351 O VAL A 33 12.297 -11.198 4.324 1.00 0.00 O ATOM 352 CB VAL A 33 11.959 -9.015 2.017 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.113 -8.054 2.348 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.479 -10.256 1.272 1.00 0.00 C ATOM 0 H VAL A 33 10.396 -7.536 3.083 1.00 0.00 H new ATOM 0 HA VAL A 33 10.501 -10.254 2.919 1.00 0.00 H new ATOM 0 HB VAL A 33 11.284 -8.452 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.647 -7.798 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.713 -7.147 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.799 -8.535 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.062 -9.943 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.109 -10.844 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.635 -10.862 0.942 1.00 0.00 H new ATOM 364 N ASN A 34 12.425 -9.174 5.266 1.00 0.00 N ATOM 365 CA ASN A 34 13.310 -9.616 6.298 1.00 0.00 C ATOM 366 C ASN A 34 12.600 -10.175 7.482 1.00 0.00 C ATOM 367 O ASN A 34 13.231 -10.797 8.334 1.00 0.00 O ATOM 368 CB ASN A 34 14.268 -8.512 6.776 1.00 0.00 C ATOM 369 CG ASN A 34 15.287 -8.170 5.699 1.00 0.00 C ATOM 370 OD1 ASN A 34 15.632 -8.974 4.833 1.00 0.00 O ATOM 371 ND2 ASN A 34 15.848 -6.934 5.772 1.00 0.00 N ATOM 0 H ASN A 34 12.144 -8.196 5.341 1.00 0.00 H new ATOM 0 HA ASN A 34 13.888 -10.412 5.829 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.699 -7.621 7.039 1.00 0.00 H new ATOM 0 HB3 ASN A 34 14.784 -8.839 7.679 1.00 0.00 H new ATOM 0 HD21 ASN A 34 16.567 -6.660 5.102 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.550 -6.281 6.496 1.00 0.00 H new ATOM 378 N THR A 35 11.269 -10.009 7.591 1.00 0.00 N ATOM 379 CA THR A 35 10.510 -10.418 8.731 1.00 0.00 C ATOM 380 C THR A 35 10.059 -11.828 8.564 1.00 0.00 C ATOM 381 O THR A 35 10.816 -12.754 8.853 1.00 0.00 O ATOM 382 CB THR A 35 9.377 -9.488 9.054 1.00 0.00 C ATOM 383 OG1 THR A 35 9.857 -8.155 9.150 1.00 0.00 O ATOM 384 CG2 THR A 35 8.752 -9.811 10.421 1.00 0.00 C ATOM 0 H THR A 35 10.703 -9.576 6.861 1.00 0.00 H new ATOM 0 HA THR A 35 11.168 -10.367 9.599 1.00 0.00 H new ATOM 0 HB THR A 35 8.641 -9.605 8.259 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.243 -7.552 8.682 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.935 -9.117 10.621 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.368 -10.831 10.414 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.509 -9.714 11.199 1.00 0.00 H new ATOM 392 N SER A 36 8.829 -12.095 8.089 1.00 0.00 N ATOM 393 CA SER A 36 8.385 -13.428 7.820 1.00 0.00 C ATOM 394 C SER A 36 7.230 -13.388 6.879 1.00 0.00 C ATOM 395 O SER A 36 6.071 -13.459 7.284 1.00 0.00 O ATOM 396 CB SER A 36 7.971 -14.182 9.095 1.00 0.00 C ATOM 397 OG SER A 36 7.639 -15.542 8.860 1.00 0.00 O ATOM 0 H SER A 36 8.133 -11.376 7.889 1.00 0.00 H new ATOM 0 HA SER A 36 9.225 -13.964 7.379 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.785 -14.134 9.818 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.115 -13.679 9.545 1.00 0.00 H new ATOM 0 HG SER A 36 7.386 -15.968 9.706 1.00 0.00 H new ATOM 403 N VAL A 37 7.494 -13.244 5.568 1.00 0.00 N ATOM 404 CA VAL A 37 6.481 -13.170 4.561 1.00 0.00 C ATOM 405 C VAL A 37 6.665 -14.301 3.610 1.00 0.00 C ATOM 406 O VAL A 37 7.420 -15.233 3.882 1.00 0.00 O ATOM 407 CB VAL A 37 6.515 -11.833 3.880 1.00 0.00 C ATOM 408 CG1 VAL A 37 6.225 -10.739 4.920 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.856 -11.554 3.180 1.00 0.00 C ATOM 0 H VAL A 37 8.442 -13.177 5.197 1.00 0.00 H new ATOM 0 HA VAL A 37 5.492 -13.262 5.010 1.00 0.00 H new ATOM 0 HB VAL A 37 5.753 -11.836 3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.247 -9.762 4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.241 -10.905 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.981 -10.773 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.822 -10.573 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.661 -11.573 3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.037 -12.317 2.423 1.00 0.00 H new ATOM 419 N ARG A 38 5.977 -14.273 2.454 1.00 0.00 N ATOM 420 CA ARG A 38 6.143 -15.200 1.378 1.00 0.00 C ATOM 421 C ARG A 38 7.424 -14.953 0.657 1.00 0.00 C ATOM 422 O ARG A 38 8.347 -15.758 0.766 1.00 0.00 O ATOM 423 CB ARG A 38 4.901 -15.167 0.472 1.00 0.00 C ATOM 424 CG ARG A 38 4.980 -15.898 -0.870 1.00 0.00 C ATOM 425 CD ARG A 38 5.250 -17.403 -0.812 1.00 0.00 C ATOM 426 NE ARG A 38 5.307 -17.832 -2.238 1.00 0.00 N ATOM 427 CZ ARG A 38 6.137 -18.804 -2.717 1.00 0.00 C ATOM 428 NH1 ARG A 38 6.767 -19.716 -1.921 1.00 0.00 N ATOM 429 NH2 ARG A 38 6.371 -18.860 -4.060 1.00 0.00 N ATOM 0 H ARG A 38 5.268 -13.566 2.261 1.00 0.00 H new ATOM 0 HA ARG A 38 6.221 -16.215 1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.065 -15.585 1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.660 -14.123 0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.041 -15.740 -1.401 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.765 -15.433 -1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.186 -17.618 -0.296 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.461 -17.926 -0.272 1.00 0.00 H new ATOM 0 HE ARG A 38 4.685 -17.369 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.628 -19.693 -0.911 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.377 -20.420 -2.336 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.929 -18.184 -4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.988 -19.578 -4.441 1.00 0.00 H new ATOM 443 N HIS A 39 7.579 -13.839 -0.082 1.00 0.00 N ATOM 444 CA HIS A 39 8.878 -13.436 -0.524 1.00 0.00 C ATOM 445 C HIS A 39 9.021 -11.971 -0.750 1.00 0.00 C ATOM 446 O HIS A 39 10.091 -11.482 -1.110 1.00 0.00 O ATOM 447 CB HIS A 39 9.318 -14.183 -1.794 1.00 0.00 C ATOM 448 CG HIS A 39 10.783 -14.499 -1.831 1.00 0.00 C ATOM 449 ND1 HIS A 39 11.497 -14.339 -3.002 1.00 0.00 N ATOM 450 CD2 HIS A 39 11.546 -15.126 -0.896 1.00 0.00 C ATOM 451 CE1 HIS A 39 12.689 -14.852 -2.754 1.00 0.00 C ATOM 452 NE2 HIS A 39 12.769 -15.354 -1.493 1.00 0.00 N ATOM 0 H HIS A 39 6.817 -13.225 -0.370 1.00 0.00 H new ATOM 0 HA HIS A 39 9.531 -13.704 0.306 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.753 -15.112 -1.872 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.063 -13.580 -2.666 1.00 0.00 H new ATOM 0 HD2 HIS A 39 11.254 -15.391 0.109 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.501 -14.870 -3.466 1.00 0.00 H new ATOM 0 HE2 HIS A 39 13.577 -15.811 -1.070 1.00 0.00 H new ATOM 460 N GLY A 40 7.956 -11.172 -0.564 1.00 0.00 N ATOM 461 CA GLY A 40 7.996 -9.774 -0.862 1.00 0.00 C ATOM 462 C GLY A 40 6.640 -9.184 -0.682 1.00 0.00 C ATOM 463 O GLY A 40 5.665 -9.542 -1.341 1.00 0.00 O ATOM 0 H GLY A 40 7.059 -11.498 -0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.711 -9.273 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.337 -9.620 -1.886 1.00 0.00 H new ATOM 467 N GLY A 41 6.534 -8.238 0.268 1.00 0.00 N ATOM 468 CA GLY A 41 5.334 -7.506 0.529 1.00 0.00 C ATOM 469 C GLY A 41 5.414 -6.902 1.889 1.00 0.00 C ATOM 470 O GLY A 41 5.971 -7.503 2.807 1.00 0.00 O ATOM 0 H GLY A 41 7.310 -7.974 0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.199 -6.726 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.469 -8.166 0.462 1.00 0.00 H new ATOM 474 N ILE A 42 4.837 -5.701 2.067 1.00 0.00 N ATOM 475 CA ILE A 42 4.621 -5.140 3.364 1.00 0.00 C ATOM 476 C ILE A 42 3.171 -5.337 3.647 1.00 0.00 C ATOM 477 O ILE A 42 2.384 -5.609 2.742 1.00 0.00 O ATOM 478 CB ILE A 42 5.136 -3.741 3.528 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.555 -3.426 4.974 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.140 -2.636 3.137 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.833 -4.142 5.411 1.00 0.00 C ATOM 0 H ILE A 42 4.516 -5.111 1.300 1.00 0.00 H new ATOM 0 HA ILE A 42 5.217 -5.649 4.122 1.00 0.00 H new ATOM 0 HB ILE A 42 5.986 -3.730 2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.698 -2.350 5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.744 -3.705 5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.601 -1.660 3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.866 -2.748 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.247 -2.716 3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.067 -3.872 6.441 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.688 -5.220 5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.657 -3.845 4.762 1.00 0.00 H new ATOM 493 N TYR A 43 2.737 -5.315 4.920 1.00 0.00 N ATOM 494 CA TYR A 43 1.402 -5.677 5.284 1.00 0.00 C ATOM 495 C TYR A 43 0.934 -4.620 6.224 1.00 0.00 C ATOM 496 O TYR A 43 1.736 -3.902 6.819 1.00 0.00 O ATOM 497 CB TYR A 43 1.378 -7.021 6.030 1.00 0.00 C ATOM 498 CG TYR A 43 1.713 -8.191 5.171 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.986 -8.409 4.698 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.733 -9.112 4.883 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.254 -9.490 3.892 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.010 -10.231 4.134 1.00 0.00 C ATOM 503 CZ TYR A 43 2.276 -10.420 3.630 1.00 0.00 C ATOM 504 OH TYR A 43 2.600 -11.551 2.853 1.00 0.00 O ATOM 0 H TYR A 43 3.322 -5.042 5.709 1.00 0.00 H new ATOM 0 HA TYR A 43 0.779 -5.768 4.394 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.083 -6.978 6.860 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.388 -7.170 6.460 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.780 -7.726 4.962 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.270 -8.954 5.251 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.238 -9.609 3.463 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.236 -10.959 3.942 1.00 0.00 H new ATOM 0 HH TYR A 43 1.807 -12.118 2.754 1.00 0.00 H new ATOM 514 N VAL A 44 -0.386 -4.434 6.406 1.00 0.00 N ATOM 515 CA VAL A 44 -0.877 -3.506 7.377 1.00 0.00 C ATOM 516 C VAL A 44 -1.054 -4.191 8.688 1.00 0.00 C ATOM 517 O VAL A 44 -1.592 -5.295 8.768 1.00 0.00 O ATOM 518 CB VAL A 44 -2.188 -2.900 6.971 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.398 -1.641 7.830 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.209 -2.536 5.477 1.00 0.00 C ATOM 0 H VAL A 44 -1.111 -4.925 5.883 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.140 -2.706 7.456 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.990 -3.621 7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.345 -1.172 7.562 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.416 -1.918 8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.582 -0.940 7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.175 -2.100 5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.419 -1.815 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.048 -3.435 4.881 1.00 0.00 H new ATOM 530 N LYS A 45 -0.603 -3.573 9.794 1.00 0.00 N ATOM 531 CA LYS A 45 -0.822 -4.062 11.120 1.00 0.00 C ATOM 532 C LYS A 45 -2.014 -3.414 11.736 1.00 0.00 C ATOM 533 O LYS A 45 -2.792 -4.058 12.437 1.00 0.00 O ATOM 534 CB LYS A 45 0.423 -3.818 11.988 1.00 0.00 C ATOM 535 CG LYS A 45 0.746 -4.936 12.982 1.00 0.00 C ATOM 536 CD LYS A 45 -0.031 -4.935 14.300 1.00 0.00 C ATOM 537 CE LYS A 45 0.409 -3.859 15.295 1.00 0.00 C ATOM 538 NZ LYS A 45 -0.045 -4.180 16.667 1.00 0.00 N ATOM 0 H LYS A 45 -0.069 -2.705 9.765 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.009 -5.134 11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.282 -3.675 11.333 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.286 -2.889 12.541 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.573 -5.891 12.487 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.810 -4.886 13.215 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.090 -4.799 14.082 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.075 -5.912 14.771 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.495 -3.769 15.280 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.005 -2.893 14.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.268 -3.433 17.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.083 -4.242 16.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.361 -5.091 16.963 1.00 0.00 H new ATOM 552 N ALA A 46 -2.203 -2.104 11.495 1.00 0.00 N ATOM 553 CA ALA A 46 -3.298 -1.354 12.027 1.00 0.00 C ATOM 554 C ALA A 46 -3.694 -0.250 11.108 1.00 0.00 C ATOM 555 O ALA A 46 -2.850 0.435 10.534 1.00 0.00 O ATOM 556 CB ALA A 46 -2.942 -0.814 13.422 1.00 0.00 C ATOM 0 H ALA A 46 -1.575 -1.550 10.912 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.156 -2.020 12.123 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.783 -0.245 13.817 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.722 -1.647 14.089 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.068 -0.167 13.349 1.00 0.00 H new ATOM 562 N ILE A 47 -5.013 -0.056 10.933 1.00 0.00 N ATOM 563 CA ILE A 47 -5.630 1.032 10.241 1.00 0.00 C ATOM 564 C ILE A 47 -6.073 2.016 11.268 1.00 0.00 C ATOM 565 O ILE A 47 -6.643 1.641 12.290 1.00 0.00 O ATOM 566 CB ILE A 47 -6.840 0.631 9.448 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.570 -0.547 8.498 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.444 1.814 8.674 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.574 -0.208 7.389 1.00 0.00 C ATOM 0 H ILE A 47 -5.700 -0.712 11.305 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.899 1.432 9.539 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.571 0.296 10.184 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.190 -1.391 9.074 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.510 -0.866 8.048 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.317 1.476 8.115 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.742 2.594 9.375 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.702 2.213 7.982 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.427 -1.081 6.753 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.963 0.616 6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.622 0.083 7.832 1.00 0.00 H new ATOM 581 N ILE A 48 -5.822 3.320 11.049 1.00 0.00 N ATOM 582 CA ILE A 48 -6.241 4.351 11.946 1.00 0.00 C ATOM 583 C ILE A 48 -7.470 5.068 11.502 1.00 0.00 C ATOM 584 O ILE A 48 -7.660 5.255 10.301 1.00 0.00 O ATOM 585 CB ILE A 48 -5.172 5.374 12.188 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.780 6.118 10.900 1.00 0.00 C ATOM 587 CG2 ILE A 48 -4.018 4.668 12.919 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.534 6.992 11.038 1.00 0.00 C ATOM 0 H ILE A 48 -5.318 3.664 10.232 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.461 3.816 12.870 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.530 6.180 12.829 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.612 5.388 10.108 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.616 6.743 10.586 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.219 5.383 13.113 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.380 4.263 13.864 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.637 3.857 12.299 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.326 7.481 10.087 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.703 7.747 11.805 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.684 6.371 11.321 1.00 0.00 H new ATOM 600 N PRO A 49 -8.316 5.533 12.373 1.00 0.00 N ATOM 601 CA PRO A 49 -9.412 6.388 12.021 1.00 0.00 C ATOM 602 C PRO A 49 -9.008 7.809 11.824 1.00 0.00 C ATOM 603 O PRO A 49 -9.323 8.665 12.649 1.00 0.00 O ATOM 604 CB PRO A 49 -10.372 6.217 13.195 1.00 0.00 C ATOM 605 CG PRO A 49 -9.448 6.026 14.407 1.00 0.00 C ATOM 606 CD PRO A 49 -8.293 5.219 13.793 1.00 0.00 C ATOM 0 HA PRO A 49 -9.854 6.121 11.061 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.014 7.090 13.316 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.027 5.357 13.053 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.110 6.977 14.818 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.940 5.486 15.216 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.339 5.495 14.241 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.427 4.150 13.962 1.00 0.00 H new ATOM 614 N LYS A 50 -8.318 8.133 10.718 1.00 0.00 N ATOM 615 CA LYS A 50 -8.054 9.481 10.320 1.00 0.00 C ATOM 616 C LYS A 50 -8.821 9.856 9.098 1.00 0.00 C ATOM 617 O LYS A 50 -9.903 10.436 9.190 1.00 0.00 O ATOM 618 CB LYS A 50 -6.559 9.817 10.187 1.00 0.00 C ATOM 619 CG LYS A 50 -5.996 10.389 11.491 1.00 0.00 C ATOM 620 CD LYS A 50 -4.575 10.938 11.359 1.00 0.00 C ATOM 621 CE LYS A 50 -4.274 12.099 12.308 1.00 0.00 C ATOM 622 NZ LYS A 50 -4.885 13.348 11.803 1.00 0.00 N ATOM 0 H LYS A 50 -7.932 7.437 10.080 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.412 10.100 11.143 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.006 8.919 9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.417 10.537 9.381 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.653 11.185 11.841 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.006 9.610 12.253 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.865 10.133 11.547 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.417 11.269 10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.660 11.874 13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.196 12.227 12.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.672 14.128 12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.497 13.569 10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.915 13.227 11.732 1.00 0.00 H new ATOM 636 N GLY A 51 -8.304 9.572 7.890 1.00 0.00 N ATOM 637 CA GLY A 51 -8.943 10.047 6.703 1.00 0.00 C ATOM 638 C GLY A 51 -8.050 10.111 5.511 1.00 0.00 C ATOM 639 O GLY A 51 -8.145 11.028 4.697 1.00 0.00 O ATOM 0 H GLY A 51 -7.458 9.023 7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.789 9.398 6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.347 11.041 6.894 1.00 0.00 H new ATOM 643 N ALA A 52 -7.161 9.114 5.356 1.00 0.00 N ATOM 644 CA ALA A 52 -6.477 8.878 4.122 1.00 0.00 C ATOM 645 C ALA A 52 -6.587 7.429 3.790 1.00 0.00 C ATOM 646 O ALA A 52 -7.403 7.047 2.952 1.00 0.00 O ATOM 647 CB ALA A 52 -5.035 9.412 4.156 1.00 0.00 C ATOM 0 H ALA A 52 -6.913 8.461 6.099 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.947 9.439 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.551 9.213 3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.049 10.486 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.482 8.916 4.953 1.00 0.00 H new ATOM 653 N ALA A 53 -5.832 6.536 4.453 1.00 0.00 N ATOM 654 CA ALA A 53 -5.869 5.126 4.215 1.00 0.00 C ATOM 655 C ALA A 53 -7.146 4.455 4.588 1.00 0.00 C ATOM 656 O ALA A 53 -7.623 3.578 3.872 1.00 0.00 O ATOM 657 CB ALA A 53 -4.717 4.421 4.952 1.00 0.00 C ATOM 0 H ALA A 53 -5.171 6.805 5.182 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.769 5.033 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.763 3.349 4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.764 4.813 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.807 4.600 6.023 1.00 0.00 H new ATOM 663 N GLU A 54 -7.805 4.876 5.683 1.00 0.00 N ATOM 664 CA GLU A 54 -9.130 4.432 5.988 1.00 0.00 C ATOM 665 C GLU A 54 -10.101 4.840 4.934 1.00 0.00 C ATOM 666 O GLU A 54 -11.084 4.162 4.638 1.00 0.00 O ATOM 667 CB GLU A 54 -9.621 4.964 7.344 1.00 0.00 C ATOM 668 CG GLU A 54 -10.987 4.380 7.714 1.00 0.00 C ATOM 669 CD GLU A 54 -11.634 4.972 8.958 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.926 6.197 8.949 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.973 4.200 9.896 1.00 0.00 O ATOM 0 H GLU A 54 -7.416 5.530 6.362 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.078 3.344 6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.896 4.714 8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.687 6.051 7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.664 4.520 6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.877 3.305 7.859 1.00 0.00 H new ATOM 678 N SER A 55 -9.822 5.977 4.272 1.00 0.00 N ATOM 679 CA SER A 55 -10.663 6.519 3.252 1.00 0.00 C ATOM 680 C SER A 55 -10.641 5.791 1.951 1.00 0.00 C ATOM 681 O SER A 55 -11.389 6.132 1.037 1.00 0.00 O ATOM 682 CB SER A 55 -10.389 8.006 2.972 1.00 0.00 C ATOM 683 OG SER A 55 -11.573 8.687 2.581 1.00 0.00 O ATOM 0 H SER A 55 -8.987 6.535 4.452 1.00 0.00 H new ATOM 0 HA SER A 55 -11.655 6.393 3.685 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.975 8.476 3.864 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.639 8.098 2.187 1.00 0.00 H new ATOM 0 HG SER A 55 -12.035 8.169 1.890 1.00 0.00 H new ATOM 689 N ASP A 56 -9.850 4.714 1.799 1.00 0.00 N ATOM 690 CA ASP A 56 -10.056 3.711 0.800 1.00 0.00 C ATOM 691 C ASP A 56 -11.322 2.990 1.110 1.00 0.00 C ATOM 692 O ASP A 56 -12.406 3.306 0.621 1.00 0.00 O ATOM 693 CB ASP A 56 -8.841 2.769 0.780 1.00 0.00 C ATOM 694 CG ASP A 56 -9.108 1.553 -0.096 1.00 0.00 C ATOM 695 OD1 ASP A 56 -9.421 1.756 -1.299 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.168 0.426 0.463 1.00 0.00 O ATOM 0 H ASP A 56 -9.039 4.535 2.392 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.150 4.151 -0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.967 3.304 0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.610 2.447 1.795 1.00 0.00 H new ATOM 701 N GLY A 57 -11.233 1.974 1.988 1.00 0.00 N ATOM 702 CA GLY A 57 -12.361 1.331 2.586 1.00 0.00 C ATOM 703 C GLY A 57 -12.458 -0.119 2.256 1.00 0.00 C ATOM 704 O GLY A 57 -13.362 -0.814 2.718 1.00 0.00 O ATOM 0 H GLY A 57 -10.340 1.586 2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.305 1.447 3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.272 1.832 2.259 1.00 0.00 H new ATOM 708 N ARG A 58 -11.530 -0.644 1.436 1.00 0.00 N ATOM 709 CA ARG A 58 -11.359 -2.041 1.187 1.00 0.00 C ATOM 710 C ARG A 58 -10.309 -2.600 2.085 1.00 0.00 C ATOM 711 O ARG A 58 -10.395 -3.756 2.497 1.00 0.00 O ATOM 712 CB ARG A 58 -11.002 -2.282 -0.290 1.00 0.00 C ATOM 713 CG ARG A 58 -11.966 -1.656 -1.298 1.00 0.00 C ATOM 714 CD ARG A 58 -11.420 -0.356 -1.893 1.00 0.00 C ATOM 715 NE ARG A 58 -12.202 0.038 -3.099 1.00 0.00 N ATOM 716 CZ ARG A 58 -11.811 1.087 -3.882 1.00 0.00 C ATOM 717 NH1 ARG A 58 -10.719 1.853 -3.593 1.00 0.00 N ATOM 718 NH2 ARG A 58 -12.520 1.436 -4.994 1.00 0.00 N ATOM 0 H ARG A 58 -10.866 -0.065 0.922 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.298 -2.553 1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.002 -1.890 -0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.961 -3.357 -0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.161 -2.367 -2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.920 -1.457 -0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.465 0.438 -1.148 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.371 -0.484 -2.159 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.043 -0.484 -3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.159 1.651 -2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.463 2.627 -4.205 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.356 0.911 -5.252 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.214 2.222 -5.568 1.00 0.00 H new ATOM 732 N ILE A 59 -9.280 -1.823 2.465 1.00 0.00 N ATOM 733 CA ILE A 59 -8.289 -2.243 3.408 1.00 0.00 C ATOM 734 C ILE A 59 -8.815 -2.537 4.771 1.00 0.00 C ATOM 735 O ILE A 59 -9.651 -1.821 5.319 1.00 0.00 O ATOM 736 CB ILE A 59 -7.104 -1.342 3.587 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.136 -0.075 2.717 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.836 -2.179 3.350 1.00 0.00 C ATOM 739 CD1 ILE A 59 -5.979 0.887 2.984 1.00 0.00 C ATOM 0 H ILE A 59 -9.132 -0.879 2.108 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.955 -3.157 2.917 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.120 -0.953 4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.119 -0.366 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.077 0.448 2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.955 -1.549 3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.800 -2.997 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.852 -2.585 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.071 1.756 2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.007 1.209 4.025 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.033 0.383 2.785 1.00 0.00 H new ATOM 751 N HIS A 60 -8.300 -3.612 5.393 1.00 0.00 N ATOM 752 CA HIS A 60 -8.387 -3.807 6.807 1.00 0.00 C ATOM 753 C HIS A 60 -7.025 -4.074 7.350 1.00 0.00 C ATOM 754 O HIS A 60 -6.036 -4.142 6.623 1.00 0.00 O ATOM 755 CB HIS A 60 -9.370 -4.925 7.194 1.00 0.00 C ATOM 756 CG HIS A 60 -8.908 -6.321 6.894 1.00 0.00 C ATOM 757 ND1 HIS A 60 -9.239 -6.929 5.700 1.00 0.00 N ATOM 758 CD2 HIS A 60 -8.101 -7.129 7.633 1.00 0.00 C ATOM 759 CE1 HIS A 60 -8.578 -8.071 5.700 1.00 0.00 C ATOM 760 NE2 HIS A 60 -7.890 -8.251 6.859 1.00 0.00 N ATOM 0 H HIS A 60 -7.812 -4.362 4.903 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.785 -2.894 7.249 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.577 -4.850 8.262 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.312 -4.753 6.674 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.708 -6.933 8.620 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.583 -8.775 4.881 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.325 -9.062 7.109 1.00 0.00 H new ATOM 768 N LYS A 61 -6.901 -4.232 8.679 1.00 0.00 N ATOM 769 CA LYS A 61 -5.664 -4.421 9.371 1.00 0.00 C ATOM 770 C LYS A 61 -5.041 -5.768 9.237 1.00 0.00 C ATOM 771 O LYS A 61 -4.637 -6.421 10.198 1.00 0.00 O ATOM 772 CB LYS A 61 -5.846 -3.992 10.836 1.00 0.00 C ATOM 773 CG LYS A 61 -6.774 -4.841 11.709 1.00 0.00 C ATOM 774 CD LYS A 61 -6.982 -4.284 13.118 1.00 0.00 C ATOM 775 CE LYS A 61 -8.059 -3.200 13.196 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.474 -2.963 14.597 1.00 0.00 N ATOM 0 H LYS A 61 -7.707 -4.228 9.304 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.931 -3.782 8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.863 -3.975 11.307 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.220 -2.968 10.843 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.742 -4.926 11.216 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.365 -5.848 11.784 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.252 -5.101 13.786 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.039 -3.874 13.480 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.680 -2.274 12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.923 -3.498 12.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.205 -2.224 14.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.857 -3.842 14.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.652 -2.656 15.155 1.00 0.00 H new ATOM 790 N GLY A 62 -4.890 -6.266 7.996 1.00 0.00 N ATOM 791 CA GLY A 62 -4.286 -7.539 7.753 1.00 0.00 C ATOM 792 C GLY A 62 -3.923 -7.821 6.336 1.00 0.00 C ATOM 793 O GLY A 62 -3.369 -8.880 6.047 1.00 0.00 O ATOM 0 H GLY A 62 -5.191 -5.779 7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.385 -7.615 8.362 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.969 -8.316 8.096 1.00 0.00 H new ATOM 797 N ASP A 63 -4.210 -6.896 5.402 1.00 0.00 N ATOM 798 CA ASP A 63 -3.962 -7.066 4.003 1.00 0.00 C ATOM 799 C ASP A 63 -2.532 -6.914 3.614 1.00 0.00 C ATOM 800 O ASP A 63 -1.717 -6.350 4.342 1.00 0.00 O ATOM 801 CB ASP A 63 -4.809 -6.057 3.210 1.00 0.00 C ATOM 802 CG ASP A 63 -6.292 -6.368 3.357 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.699 -7.547 3.177 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.088 -5.422 3.600 1.00 0.00 O ATOM 0 H ASP A 63 -4.631 -5.995 5.630 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.238 -8.094 3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.607 -5.046 3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.528 -6.087 2.157 1.00 0.00 H new ATOM 809 N ARG A 64 -2.176 -7.423 2.421 1.00 0.00 N ATOM 810 CA ARG A 64 -0.863 -7.343 1.860 1.00 0.00 C ATOM 811 C ARG A 64 -0.780 -6.183 0.929 1.00 0.00 C ATOM 812 O ARG A 64 -1.620 -5.985 0.053 1.00 0.00 O ATOM 813 CB ARG A 64 -0.468 -8.634 1.123 1.00 0.00 C ATOM 814 CG ARG A 64 0.863 -8.574 0.373 1.00 0.00 C ATOM 815 CD ARG A 64 1.349 -9.934 -0.130 1.00 0.00 C ATOM 816 NE ARG A 64 2.445 -9.712 -1.114 1.00 0.00 N ATOM 817 CZ ARG A 64 2.362 -10.022 -2.441 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.241 -10.518 -3.041 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.438 -9.813 -3.256 1.00 0.00 N ATOM 0 H ARG A 64 -2.836 -7.914 1.818 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.162 -7.208 2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.422 -9.447 1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.256 -8.884 0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.761 -7.898 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.621 -8.148 1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.705 -10.540 0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.529 -10.481 -0.594 1.00 0.00 H new ATOM 0 HE ARG A 64 3.315 -9.301 -0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.397 -10.678 -2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.247 -10.729 -4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.301 -9.426 -2.873 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.379 -10.044 -4.248 1.00 0.00 H new ATOM 833 N VAL A 65 0.276 -5.362 1.070 1.00 0.00 N ATOM 834 CA VAL A 65 0.651 -4.341 0.143 1.00 0.00 C ATOM 835 C VAL A 65 1.703 -4.942 -0.726 1.00 0.00 C ATOM 836 O VAL A 65 2.775 -5.319 -0.255 1.00 0.00 O ATOM 837 CB VAL A 65 1.195 -3.106 0.797 1.00 0.00 C ATOM 838 CG1 VAL A 65 0.986 -1.905 -0.141 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.540 -2.880 2.170 1.00 0.00 C ATOM 0 H VAL A 65 0.901 -5.414 1.874 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.233 -4.019 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 65 2.264 -3.226 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.379 -1.004 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.509 -2.082 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.079 -1.777 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.951 -1.979 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.537 -2.765 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.741 -3.736 2.814 1.00 0.00 H new ATOM 849 N LEU A 66 1.444 -5.107 -2.036 1.00 0.00 N ATOM 850 CA LEU A 66 2.401 -5.668 -2.938 1.00 0.00 C ATOM 851 C LEU A 66 3.202 -4.615 -3.625 1.00 0.00 C ATOM 852 O LEU A 66 4.395 -4.813 -3.852 1.00 0.00 O ATOM 853 CB LEU A 66 1.805 -6.668 -3.944 1.00 0.00 C ATOM 854 CG LEU A 66 0.538 -6.265 -4.718 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.498 -6.988 -6.074 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.721 -6.626 -3.912 1.00 0.00 C ATOM 0 H LEU A 66 0.560 -4.848 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 66 3.075 -6.250 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.579 -6.904 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.585 -7.589 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 66 0.562 -5.187 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.402 -6.697 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.377 -6.715 -6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.491 -8.066 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.609 -6.334 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.742 -7.701 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.706 -6.099 -2.958 1.00 0.00 H new ATOM 868 N ALA A 67 2.606 -3.458 -3.961 1.00 0.00 N ATOM 869 CA ALA A 67 3.345 -2.436 -4.637 1.00 0.00 C ATOM 870 C ALA A 67 2.829 -1.074 -4.329 1.00 0.00 C ATOM 871 O ALA A 67 1.679 -0.903 -3.927 1.00 0.00 O ATOM 872 CB ALA A 67 3.328 -2.683 -6.154 1.00 0.00 C ATOM 0 H ALA A 67 1.630 -3.231 -3.770 1.00 0.00 H new ATOM 0 HA ALA A 67 4.372 -2.483 -4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.894 -1.899 -6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.780 -3.651 -6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.299 -2.675 -6.512 1.00 0.00 H new ATOM 878 N VAL A 68 3.670 -0.036 -4.485 1.00 0.00 N ATOM 879 CA VAL A 68 3.315 1.313 -4.166 1.00 0.00 C ATOM 880 C VAL A 68 3.738 2.224 -5.267 1.00 0.00 C ATOM 881 O VAL A 68 4.927 2.297 -5.572 1.00 0.00 O ATOM 882 CB VAL A 68 3.964 1.771 -2.894 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.440 3.167 -2.517 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.678 0.793 -1.742 1.00 0.00 C ATOM 0 H VAL A 68 4.620 -0.136 -4.842 1.00 0.00 H new ATOM 0 HA VAL A 68 2.233 1.342 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 68 5.041 1.809 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.914 3.496 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.674 3.871 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.360 3.124 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.161 1.151 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.602 0.727 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.068 -0.193 -1.996 1.00 0.00 H new ATOM 894 N ASN A 69 2.826 2.963 -5.924 1.00 0.00 N ATOM 895 CA ASN A 69 3.075 3.682 -7.136 1.00 0.00 C ATOM 896 C ASN A 69 3.538 2.830 -8.267 1.00 0.00 C ATOM 897 O ASN A 69 4.257 3.259 -9.168 1.00 0.00 O ATOM 898 CB ASN A 69 3.950 4.931 -6.934 1.00 0.00 C ATOM 899 CG ASN A 69 3.274 5.854 -5.931 1.00 0.00 C ATOM 900 OD1 ASN A 69 2.103 6.207 -6.071 1.00 0.00 O ATOM 901 ND2 ASN A 69 4.013 6.264 -4.865 1.00 0.00 N ATOM 0 H ASN A 69 1.866 3.064 -5.593 1.00 0.00 H new ATOM 0 HA ASN A 69 2.094 4.047 -7.441 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.938 4.644 -6.575 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.094 5.447 -7.883 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.598 6.876 -4.162 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.982 5.959 -4.769 1.00 0.00 H new ATOM 908 N GLY A 70 3.126 1.550 -8.248 1.00 0.00 N ATOM 909 CA GLY A 70 3.566 0.532 -9.152 1.00 0.00 C ATOM 910 C GLY A 70 4.861 -0.092 -8.759 1.00 0.00 C ATOM 911 O GLY A 70 5.363 -0.973 -9.454 1.00 0.00 O ATOM 0 H GLY A 70 2.450 1.207 -7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.802 -0.243 -9.214 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.666 0.961 -10.149 1.00 0.00 H new ATOM 915 N VAL A 71 5.461 0.332 -7.632 1.00 0.00 N ATOM 916 CA VAL A 71 6.770 -0.076 -7.224 1.00 0.00 C ATOM 917 C VAL A 71 6.651 -1.188 -6.239 1.00 0.00 C ATOM 918 O VAL A 71 6.271 -0.997 -5.084 1.00 0.00 O ATOM 919 CB VAL A 71 7.626 1.011 -6.647 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.064 0.504 -6.450 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.633 2.210 -7.611 1.00 0.00 C ATOM 0 H VAL A 71 5.019 0.982 -6.982 1.00 0.00 H new ATOM 0 HA VAL A 71 7.278 -0.392 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 71 7.222 1.313 -5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.677 1.302 -6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.060 -0.347 -5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.476 0.197 -7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.254 3.005 -7.198 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.035 1.899 -8.575 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.615 2.576 -7.744 1.00 0.00 H new ATOM 931 N SER A 72 6.946 -2.416 -6.701 1.00 0.00 N ATOM 932 CA SER A 72 6.938 -3.644 -5.968 1.00 0.00 C ATOM 933 C SER A 72 7.745 -3.654 -4.715 1.00 0.00 C ATOM 934 O SER A 72 8.889 -3.205 -4.667 1.00 0.00 O ATOM 935 CB SER A 72 7.462 -4.804 -6.830 1.00 0.00 C ATOM 936 OG SER A 72 6.792 -4.838 -8.083 1.00 0.00 O ATOM 0 H SER A 72 7.214 -2.560 -7.675 1.00 0.00 H new ATOM 0 HA SER A 72 5.889 -3.759 -5.693 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.535 -4.691 -6.988 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.314 -5.749 -6.307 1.00 0.00 H new ATOM 0 HG SER A 72 7.139 -5.581 -8.619 1.00 0.00 H new ATOM 942 N LEU A 73 7.190 -4.238 -3.638 1.00 0.00 N ATOM 943 CA LEU A 73 7.839 -4.401 -2.374 1.00 0.00 C ATOM 944 C LEU A 73 8.623 -5.666 -2.292 1.00 0.00 C ATOM 945 O LEU A 73 8.920 -6.192 -1.221 1.00 0.00 O ATOM 946 CB LEU A 73 6.782 -4.313 -1.260 1.00 0.00 C ATOM 947 CG LEU A 73 6.244 -2.887 -1.048 1.00 0.00 C ATOM 948 CD1 LEU A 73 4.813 -2.927 -0.487 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.121 -2.064 -0.088 1.00 0.00 C ATOM 0 H LEU A 73 6.242 -4.615 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 73 8.567 -3.599 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.951 -4.976 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.215 -4.674 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 73 6.257 -2.407 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.450 -1.909 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.162 -3.449 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.811 -3.451 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.697 -1.066 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.158 -2.557 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.130 -1.985 -0.494 1.00 0.00 H new ATOM 961 N GLU A 74 9.069 -6.192 -3.446 1.00 0.00 N ATOM 962 CA GLU A 74 9.949 -7.314 -3.563 1.00 0.00 C ATOM 963 C GLU A 74 11.347 -6.920 -3.230 1.00 0.00 C ATOM 964 O GLU A 74 11.972 -6.122 -3.926 1.00 0.00 O ATOM 965 CB GLU A 74 9.896 -7.881 -4.992 1.00 0.00 C ATOM 966 CG GLU A 74 8.530 -8.484 -5.326 1.00 0.00 C ATOM 967 CD GLU A 74 8.425 -8.825 -6.805 1.00 0.00 C ATOM 968 OE1 GLU A 74 9.352 -9.478 -7.354 1.00 0.00 O ATOM 969 OE2 GLU A 74 7.402 -8.451 -7.438 1.00 0.00 O ATOM 0 H GLU A 74 8.799 -5.811 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 74 9.624 -8.081 -2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.125 -7.088 -5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.666 -8.644 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.371 -9.383 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.743 -7.780 -5.056 1.00 0.00 H new ATOM 976 N GLY A 75 11.865 -7.430 -2.098 1.00 0.00 N ATOM 977 CA GLY A 75 13.103 -6.990 -1.535 1.00 0.00 C ATOM 978 C GLY A 75 12.933 -5.904 -0.530 1.00 0.00 C ATOM 979 O GLY A 75 13.905 -5.457 0.076 1.00 0.00 O ATOM 0 H GLY A 75 11.410 -8.168 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.603 -7.837 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.755 -6.638 -2.335 1.00 0.00 H new ATOM 983 N ALA A 76 11.696 -5.436 -0.283 1.00 0.00 N ATOM 984 CA ALA A 76 11.431 -4.434 0.704 1.00 0.00 C ATOM 985 C ALA A 76 11.071 -5.039 2.016 1.00 0.00 C ATOM 986 O ALA A 76 10.355 -6.032 2.133 1.00 0.00 O ATOM 987 CB ALA A 76 10.363 -3.427 0.243 1.00 0.00 C ATOM 0 H ALA A 76 10.864 -5.759 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 76 12.358 -3.876 0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.198 -2.688 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.703 -2.926 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.431 -3.953 0.039 1.00 0.00 H new ATOM 993 N THR A 77 11.612 -4.442 3.092 1.00 0.00 N ATOM 994 CA THR A 77 11.472 -4.820 4.464 1.00 0.00 C ATOM 995 C THR A 77 10.795 -3.661 5.112 1.00 0.00 C ATOM 996 O THR A 77 10.383 -2.737 4.413 1.00 0.00 O ATOM 997 CB THR A 77 12.793 -5.165 5.086 1.00 0.00 C ATOM 998 OG1 THR A 77 12.754 -5.417 6.482 1.00 0.00 O ATOM 999 CG2 THR A 77 13.884 -4.127 4.770 1.00 0.00 C ATOM 0 H THR A 77 12.203 -3.617 2.990 1.00 0.00 H new ATOM 0 HA THR A 77 10.885 -5.730 4.587 1.00 0.00 H new ATOM 0 HB THR A 77 13.052 -6.112 4.612 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.654 -5.319 6.857 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.819 -4.426 5.244 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.028 -4.067 3.691 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.580 -3.152 5.150 1.00 0.00 H new ATOM 1007 N HIS A 78 10.658 -3.616 6.449 1.00 0.00 N ATOM 1008 CA HIS A 78 10.083 -2.541 7.196 1.00 0.00 C ATOM 1009 C HIS A 78 10.603 -1.189 6.849 1.00 0.00 C ATOM 1010 O HIS A 78 9.811 -0.299 6.545 1.00 0.00 O ATOM 1011 CB HIS A 78 10.232 -2.770 8.710 1.00 0.00 C ATOM 1012 CG HIS A 78 9.828 -1.650 9.622 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.253 -1.624 10.924 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.149 -0.489 9.419 1.00 0.00 C ATOM 1015 CE1 HIS A 78 9.891 -0.483 11.478 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.200 0.213 10.594 1.00 0.00 N ATOM 0 H HIS A 78 10.970 -4.381 7.047 1.00 0.00 H new ATOM 0 HA HIS A 78 9.031 -2.550 6.912 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.646 -3.649 8.977 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.276 -3.009 8.913 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.768 -2.370 11.392 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.663 -0.180 8.506 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.121 -0.170 12.486 1.00 0.00 H new ATOM 1025 N LYS A 79 11.929 -0.963 6.851 1.00 0.00 N ATOM 1026 CA LYS A 79 12.479 0.338 6.623 1.00 0.00 C ATOM 1027 C LYS A 79 12.324 0.802 5.216 1.00 0.00 C ATOM 1028 O LYS A 79 11.842 1.903 4.957 1.00 0.00 O ATOM 1029 CB LYS A 79 13.938 0.392 7.105 1.00 0.00 C ATOM 1030 CG LYS A 79 14.519 1.800 7.253 1.00 0.00 C ATOM 1031 CD LYS A 79 15.199 2.385 6.014 1.00 0.00 C ATOM 1032 CE LYS A 79 16.464 1.617 5.625 1.00 0.00 C ATOM 1033 NZ LYS A 79 17.180 2.263 4.502 1.00 0.00 N ATOM 0 H LYS A 79 12.627 -1.689 7.012 1.00 0.00 H new ATOM 0 HA LYS A 79 11.900 1.046 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.006 -0.116 8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.557 -0.168 6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.715 2.472 7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.243 1.788 8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.499 2.373 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.454 3.428 6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.127 1.550 6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.198 0.597 5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.031 1.712 4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.556 2.304 3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.457 3.227 4.776 1.00 0.00 H new ATOM 1047 N GLN A 80 12.665 -0.055 4.237 1.00 0.00 N ATOM 1048 CA GLN A 80 12.370 0.110 2.847 1.00 0.00 C ATOM 1049 C GLN A 80 10.942 0.414 2.551 1.00 0.00 C ATOM 1050 O GLN A 80 10.649 1.358 1.818 1.00 0.00 O ATOM 1051 CB GLN A 80 12.750 -1.165 2.073 1.00 0.00 C ATOM 1052 CG GLN A 80 14.160 -1.171 1.479 1.00 0.00 C ATOM 1053 CD GLN A 80 14.248 -0.342 0.205 1.00 0.00 C ATOM 1054 OE1 GLN A 80 14.534 0.855 0.221 1.00 0.00 O ATOM 1055 NE2 GLN A 80 13.990 -1.001 -0.956 1.00 0.00 N ATOM 0 H GLN A 80 13.178 -0.916 4.428 1.00 0.00 H new ATOM 0 HA GLN A 80 12.959 0.972 2.532 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.651 -2.020 2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.032 -1.308 1.265 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.864 -0.781 2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.458 -2.197 1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.756 -1.994 -0.938 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.031 -0.503 -1.845 1.00 0.00 H new ATOM 1064 N ALA A 81 9.979 -0.347 3.099 1.00 0.00 N ATOM 1065 CA ALA A 81 8.582 -0.140 2.872 1.00 0.00 C ATOM 1066 C ALA A 81 8.070 1.182 3.333 1.00 0.00 C ATOM 1067 O ALA A 81 7.252 1.816 2.668 1.00 0.00 O ATOM 1068 CB ALA A 81 7.774 -1.241 3.579 1.00 0.00 C ATOM 0 H ALA A 81 10.178 -1.131 3.720 1.00 0.00 H new ATOM 0 HA ALA A 81 8.456 -0.170 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.710 -1.081 3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.064 -2.215 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.975 -1.209 4.650 1.00 0.00 H new ATOM 1074 N VAL A 82 8.576 1.677 4.476 1.00 0.00 N ATOM 1075 CA VAL A 82 8.254 2.973 4.987 1.00 0.00 C ATOM 1076 C VAL A 82 8.690 4.052 4.055 1.00 0.00 C ATOM 1077 O VAL A 82 7.894 4.924 3.708 1.00 0.00 O ATOM 1078 CB VAL A 82 8.827 3.208 6.353 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.673 4.662 6.831 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.082 2.312 7.356 1.00 0.00 C ATOM 0 H VAL A 82 9.230 1.159 5.063 1.00 0.00 H new ATOM 0 HA VAL A 82 7.168 3.004 5.074 1.00 0.00 H new ATOM 0 HB VAL A 82 9.892 2.981 6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.107 4.766 7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.187 5.329 6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.615 4.923 6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.487 2.470 8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.021 2.563 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.209 1.267 7.075 1.00 0.00 H new ATOM 1090 N GLU A 83 9.935 4.032 3.548 1.00 0.00 N ATOM 1091 CA GLU A 83 10.403 4.947 2.554 1.00 0.00 C ATOM 1092 C GLU A 83 9.602 4.924 1.298 1.00 0.00 C ATOM 1093 O GLU A 83 9.310 5.967 0.716 1.00 0.00 O ATOM 1094 CB GLU A 83 11.877 4.712 2.183 1.00 0.00 C ATOM 1095 CG GLU A 83 12.877 5.062 3.287 1.00 0.00 C ATOM 1096 CD GLU A 83 14.318 5.059 2.800 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.618 4.517 1.702 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.190 5.629 3.510 1.00 0.00 O ATOM 0 H GLU A 83 10.640 3.356 3.840 1.00 0.00 H new ATOM 0 HA GLU A 83 10.290 5.924 3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.007 3.664 1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.113 5.302 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.637 6.046 3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.773 4.349 4.104 1.00 0.00 H new ATOM 1105 N THR A 84 9.177 3.721 0.871 1.00 0.00 N ATOM 1106 CA THR A 84 8.404 3.435 -0.297 1.00 0.00 C ATOM 1107 C THR A 84 7.034 4.020 -0.267 1.00 0.00 C ATOM 1108 O THR A 84 6.482 4.363 -1.312 1.00 0.00 O ATOM 1109 CB THR A 84 8.399 1.954 -0.541 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.733 1.484 -0.668 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.706 1.489 -1.832 1.00 0.00 C ATOM 0 H THR A 84 9.396 2.873 1.393 1.00 0.00 H new ATOM 0 HA THR A 84 8.883 3.929 -1.143 1.00 0.00 H new ATOM 0 HB THR A 84 7.850 1.560 0.314 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.032 1.113 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.763 0.403 -1.905 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.661 1.797 -1.815 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.202 1.937 -2.693 1.00 0.00 H new ATOM 1119 N LEU A 85 6.451 4.243 0.924 1.00 0.00 N ATOM 1120 CA LEU A 85 5.240 4.975 1.128 1.00 0.00 C ATOM 1121 C LEU A 85 5.444 6.429 1.385 1.00 0.00 C ATOM 1122 O LEU A 85 4.746 7.277 0.831 1.00 0.00 O ATOM 1123 CB LEU A 85 4.537 4.476 2.402 1.00 0.00 C ATOM 1124 CG LEU A 85 4.152 2.988 2.341 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.031 2.444 3.774 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.873 2.768 1.516 1.00 0.00 C ATOM 0 H LEU A 85 6.849 3.892 1.795 1.00 0.00 H new ATOM 0 HA LEU A 85 4.675 4.826 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.192 4.640 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.639 5.070 2.569 1.00 0.00 H new ATOM 0 HG LEU A 85 4.934 2.431 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.758 1.389 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.986 2.556 4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.263 3.001 4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.632 1.705 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.048 3.318 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.031 3.124 0.498 1.00 0.00 H new ATOM 1138 N ARG A 86 6.380 6.784 2.283 1.00 0.00 N ATOM 1139 CA ARG A 86 6.531 8.115 2.787 1.00 0.00 C ATOM 1140 C ARG A 86 7.256 9.037 1.868 1.00 0.00 C ATOM 1141 O ARG A 86 6.892 10.208 1.772 1.00 0.00 O ATOM 1142 CB ARG A 86 7.007 8.070 4.248 1.00 0.00 C ATOM 1143 CG ARG A 86 7.838 9.244 4.770 1.00 0.00 C ATOM 1144 CD ARG A 86 9.317 9.018 4.450 1.00 0.00 C ATOM 1145 NE ARG A 86 10.090 10.240 4.810 1.00 0.00 N ATOM 1146 CZ ARG A 86 11.451 10.257 4.715 1.00 0.00 C ATOM 1147 NH1 ARG A 86 12.166 9.095 4.672 1.00 0.00 N ATOM 1148 NH2 ARG A 86 12.127 11.442 4.664 1.00 0.00 N ATOM 0 H ARG A 86 7.054 6.124 2.671 1.00 0.00 H new ATOM 0 HA ARG A 86 5.554 8.597 2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.126 7.976 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.594 7.161 4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.496 10.174 4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.701 9.347 5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.694 8.159 5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.442 8.793 3.391 1.00 0.00 H new ATOM 0 HE ARG A 86 9.596 11.073 5.131 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.683 8.197 4.711 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.183 9.124 4.601 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.615 12.323 4.697 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.145 11.446 4.593 1.00 0.00 H new ATOM 1162 N ASN A 87 8.265 8.593 1.097 1.00 0.00 N ATOM 1163 CA ASN A 87 9.057 9.451 0.273 1.00 0.00 C ATOM 1164 C ASN A 87 8.499 9.557 -1.105 1.00 0.00 C ATOM 1165 O ASN A 87 9.194 9.565 -2.119 1.00 0.00 O ATOM 1166 CB ASN A 87 10.520 8.976 0.280 1.00 0.00 C ATOM 1167 CG ASN A 87 11.496 10.137 0.153 1.00 0.00 C ATOM 1168 OD1 ASN A 87 12.106 10.567 1.130 1.00 0.00 O ATOM 1169 ND2 ASN A 87 11.641 10.697 -1.078 1.00 0.00 N ATOM 0 H ASN A 87 8.537 7.611 1.046 1.00 0.00 H new ATOM 0 HA ASN A 87 9.030 10.459 0.686 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.721 8.433 1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.678 8.277 -0.542 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.267 11.492 -1.206 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.124 10.322 -1.873 1.00 0.00 H new ATOM 1176 N THR A 88 7.159 9.642 -1.188 1.00 0.00 N ATOM 1177 CA THR A 88 6.359 9.734 -2.370 1.00 0.00 C ATOM 1178 C THR A 88 5.912 11.132 -2.624 1.00 0.00 C ATOM 1179 O THR A 88 5.842 11.957 -1.714 1.00 0.00 O ATOM 1180 CB THR A 88 5.146 8.868 -2.201 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.468 9.191 -0.996 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.624 7.411 -2.086 1.00 0.00 C ATOM 0 H THR A 88 6.583 9.647 -0.346 1.00 0.00 H new ATOM 0 HA THR A 88 6.964 9.407 -3.216 1.00 0.00 H new ATOM 0 HB THR A 88 4.476 9.017 -3.048 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.855 8.679 -0.255 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.763 6.754 -1.962 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.165 7.133 -2.991 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.284 7.311 -1.224 1.00 0.00 H new ATOM 1190 N GLY A 89 5.539 11.445 -3.877 1.00 0.00 N ATOM 1191 CA GLY A 89 5.120 12.749 -4.291 1.00 0.00 C ATOM 1192 C GLY A 89 3.676 12.988 -4.014 1.00 0.00 C ATOM 1193 O GLY A 89 2.866 13.139 -4.928 1.00 0.00 O ATOM 0 H GLY A 89 5.529 10.761 -4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.717 13.502 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.309 12.868 -5.358 1.00 0.00 H new ATOM 1197 N GLN A 90 3.327 13.010 -2.715 1.00 0.00 N ATOM 1198 CA GLN A 90 2.036 13.183 -2.127 1.00 0.00 C ATOM 1199 C GLN A 90 1.059 12.079 -2.351 1.00 0.00 C ATOM 1200 O GLN A 90 0.426 11.605 -1.409 1.00 0.00 O ATOM 1201 CB GLN A 90 1.446 14.568 -2.440 1.00 0.00 C ATOM 1202 CG GLN A 90 0.268 14.951 -1.542 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.208 16.360 -1.867 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.170 16.796 -3.017 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.685 17.098 -0.829 1.00 0.00 N ATOM 0 H GLN A 90 4.039 12.892 -1.994 1.00 0.00 H new ATOM 0 HA GLN A 90 2.226 13.128 -1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.229 15.319 -2.337 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.120 14.588 -3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.549 14.243 -1.681 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.566 14.893 -0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.702 16.704 0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.026 18.045 -0.991 1.00 0.00 H new ATOM 1214 N VAL A 91 0.904 11.613 -3.603 1.00 0.00 N ATOM 1215 CA VAL A 91 0.078 10.502 -3.961 1.00 0.00 C ATOM 1216 C VAL A 91 0.774 9.214 -3.689 1.00 0.00 C ATOM 1217 O VAL A 91 1.915 8.978 -4.082 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.384 10.536 -5.388 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.028 9.216 -5.846 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.385 11.696 -5.513 1.00 0.00 C ATOM 0 H VAL A 91 1.377 12.031 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.811 10.581 -3.336 1.00 0.00 H new ATOM 0 HB VAL A 91 0.480 10.679 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.341 9.305 -6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.304 8.406 -5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.896 9.000 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.747 11.756 -6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.226 11.525 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.893 12.631 -5.247 1.00 0.00 H new ATOM 1230 N VAL A 92 0.047 8.303 -3.018 1.00 0.00 N ATOM 1231 CA VAL A 92 0.423 6.933 -2.845 1.00 0.00 C ATOM 1232 C VAL A 92 -0.624 6.109 -3.511 1.00 0.00 C ATOM 1233 O VAL A 92 -1.765 6.011 -3.064 1.00 0.00 O ATOM 1234 CB VAL A 92 0.540 6.586 -1.391 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.974 5.123 -1.205 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.616 7.494 -0.769 1.00 0.00 C ATOM 0 H VAL A 92 -0.843 8.531 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 92 1.401 6.743 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.430 6.726 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.051 4.899 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.236 4.464 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.943 4.968 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.721 7.261 0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.568 7.328 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.322 8.537 -0.884 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.271 5.484 -4.648 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.086 4.521 -5.323 1.00 0.00 C ATOM 1248 C HIS A 93 -0.797 3.166 -4.775 1.00 0.00 C ATOM 1249 O HIS A 93 0.230 2.574 -5.101 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.817 4.615 -6.836 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.748 3.873 -7.749 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -1.459 3.831 -9.097 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.946 3.279 -7.501 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -2.478 3.200 -9.650 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -3.414 2.850 -8.727 1.00 0.00 N ATOM 0 H HIS A 93 0.618 5.656 -5.117 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.146 4.719 -5.161 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.837 5.668 -7.117 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.195 4.255 -7.021 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.431 3.166 -6.543 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.559 2.988 -10.706 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -4.293 2.364 -8.906 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.651 2.628 -3.885 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.404 1.400 -3.195 1.00 0.00 C ATOM 1265 C LEU A 94 -1.940 0.231 -3.946 1.00 0.00 C ATOM 1266 O LEU A 94 -3.135 0.135 -4.221 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.016 1.326 -1.786 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.419 2.313 -0.767 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.419 2.656 0.348 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.090 1.777 -0.206 1.00 0.00 C ATOM 0 H LEU A 94 -2.541 3.061 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.318 1.370 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.088 1.508 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.891 0.313 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.206 3.246 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.959 3.355 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.308 3.111 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.700 1.746 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.315 2.490 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.263 0.821 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.620 1.640 -1.021 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.065 -0.738 -4.272 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.451 -1.998 -4.825 1.00 0.00 C ATOM 1284 C LEU A 95 -1.565 -2.975 -3.706 1.00 0.00 C ATOM 1285 O LEU A 95 -0.566 -3.446 -3.165 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.400 -2.442 -5.858 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.998 -3.010 -7.156 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.146 -3.598 -7.998 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.114 -4.042 -6.920 1.00 0.00 C ATOM 0 H LEU A 95 -0.057 -0.641 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.411 -1.929 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.234 -1.590 -6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.243 -3.197 -5.405 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.484 -2.195 -7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.257 -4.007 -8.925 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.867 -2.814 -8.231 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.641 -4.391 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.488 -4.399 -7.879 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.718 -4.882 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.928 -3.577 -6.363 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.817 -3.264 -3.307 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.188 -4.032 -2.160 1.00 0.00 C ATOM 1303 C LEU A 96 -3.818 -5.318 -2.572 1.00 0.00 C ATOM 1304 O LEU A 96 -4.553 -5.373 -3.557 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.170 -3.217 -1.302 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.544 -2.002 -0.597 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.531 -0.836 -0.414 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -2.950 -2.413 0.761 1.00 0.00 C ATOM 0 H LEU A 96 -3.630 -2.935 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.294 -4.260 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.987 -2.872 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.606 -3.873 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.748 -1.642 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.029 -0.010 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.887 -0.504 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.377 -1.167 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.511 -1.541 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.738 -2.822 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.179 -3.168 0.607 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.544 -6.412 -1.840 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.086 -7.724 -2.010 1.00 0.00 C ATOM 1322 C GLU A 97 -4.763 -8.124 -0.744 1.00 0.00 C ATOM 1323 O GLU A 97 -4.294 -7.836 0.355 1.00 0.00 O ATOM 1324 CB GLU A 97 -2.989 -8.753 -2.333 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.374 -10.233 -2.321 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.231 -11.165 -2.698 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.165 -11.150 -2.026 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.406 -11.980 -3.642 1.00 0.00 O ATOM 0 H GLU A 97 -2.886 -6.373 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.787 -7.702 -2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.590 -8.519 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.177 -8.612 -1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.734 -10.498 -1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.202 -10.390 -3.012 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.905 -8.826 -0.855 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.670 -9.276 0.266 1.00 0.00 C ATOM 1337 C LYS A 98 -6.003 -10.326 1.085 1.00 0.00 C ATOM 1338 O LYS A 98 -5.594 -11.380 0.601 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.052 -9.788 -0.170 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.071 -8.703 -0.524 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.698 -8.043 0.706 1.00 0.00 C ATOM 1342 CE LYS A 98 -9.086 -6.701 1.106 1.00 0.00 C ATOM 1343 NZ LYS A 98 -9.398 -6.332 2.506 1.00 0.00 N ATOM 0 H LYS A 98 -6.309 -9.089 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.772 -8.394 0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.924 -10.438 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.463 -10.401 0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.584 -7.939 -1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.860 -9.140 -1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.762 -7.898 0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.614 -8.729 1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.005 -6.745 0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.455 -5.923 0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.545 -5.952 2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.147 -5.611 2.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.722 -7.174 3.023 1.00 0.00 H new ATOM 1357 N GLY A 99 -5.915 -10.075 2.404 1.00 0.00 N ATOM 1358 CA GLY A 99 -5.408 -10.985 3.383 1.00 0.00 C ATOM 1359 C GLY A 99 -6.498 -11.792 4.001 1.00 0.00 C ATOM 1360 O GLY A 99 -6.836 -11.618 5.170 1.00 0.00 O ATOM 0 H GLY A 99 -6.214 -9.188 2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.680 -11.651 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.882 -10.429 4.159 1.00 0.00 H new ATOM 1364 N GLN A 100 -7.089 -12.708 3.214 1.00 0.00 N ATOM 1365 CA GLN A 100 -8.143 -13.584 3.625 1.00 0.00 C ATOM 1366 C GLN A 100 -7.821 -14.989 3.245 1.00 0.00 C ATOM 1367 O GLN A 100 -6.913 -15.258 2.460 1.00 0.00 O ATOM 1368 CB GLN A 100 -9.492 -13.166 3.018 1.00 0.00 C ATOM 1369 CG GLN A 100 -10.337 -12.266 3.923 1.00 0.00 C ATOM 1370 CD GLN A 100 -10.969 -13.049 5.065 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -10.624 -14.193 5.357 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -11.952 -12.412 5.757 1.00 0.00 N ATOM 0 H GLN A 100 -6.818 -12.845 2.240 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.230 -13.516 4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.309 -12.647 2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.064 -14.063 2.781 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.713 -11.470 4.329 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.119 -11.788 3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.224 -11.463 5.500 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.417 -12.883 6.533 1.00 0.00 H new ATOM 1381 N VAL A 101 -8.571 -15.949 3.812 1.00 0.00 N ATOM 1382 CA VAL A 101 -8.470 -17.349 3.537 1.00 0.00 C ATOM 1383 C VAL A 101 -9.361 -17.723 2.404 1.00 0.00 C ATOM 1384 O VAL A 101 -10.274 -16.952 2.108 1.00 0.00 O ATOM 1385 CB VAL A 101 -8.779 -18.175 4.749 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -7.704 -17.911 5.816 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -10.187 -17.898 5.302 1.00 0.00 C ATOM 0 H VAL A 101 -9.290 -15.736 4.503 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.438 -17.557 3.254 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.767 -19.227 4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.918 -18.507 6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.725 -18.185 5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.705 -16.853 6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.362 -18.521 6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.268 -16.847 5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.930 -18.129 4.539 1.00 0.00 H new ATOM 1397 N PRO A 102 -9.190 -18.817 1.722 1.00 0.00 N ATOM 1398 CA PRO A 102 -10.087 -19.211 0.675 1.00 0.00 C ATOM 1399 C PRO A 102 -11.438 -19.614 1.154 1.00 0.00 C ATOM 1400 O PRO A 102 -12.445 -19.008 0.701 1.00 0.00 O ATOM 1401 CB PRO A 102 -9.405 -20.393 -0.012 1.00 0.00 C ATOM 1402 CG PRO A 102 -7.907 -20.169 0.250 1.00 0.00 C ATOM 1403 CD PRO A 102 -7.930 -19.541 1.652 1.00 0.00 C ATOM 1404 OXT PRO A 102 -11.560 -20.566 1.971 1.00 0.00 O ATOM 0 HA PRO A 102 -10.268 -18.365 0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.744 -21.343 0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.624 -20.413 -1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.343 -21.102 0.228 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.456 -19.506 -0.489 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.871 -20.305 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.082 -18.872 1.798 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 11.357 -1.801 15.796 1.00 0.00 N ATOM 1414 CA TYR B 205 10.556 -2.568 16.698 1.00 0.00 C ATOM 1415 C TYR B 205 9.159 -2.593 16.178 1.00 0.00 C ATOM 1416 O TYR B 205 8.189 -2.733 16.921 1.00 0.00 O ATOM 1417 CB TYR B 205 10.676 -1.980 18.114 1.00 0.00 C ATOM 1418 CG TYR B 205 10.411 -2.899 19.258 1.00 0.00 C ATOM 1419 CD1 TYR B 205 10.046 -4.220 19.158 1.00 0.00 C ATOM 1420 CD2 TYR B 205 10.589 -2.356 20.509 1.00 0.00 C ATOM 1421 CE1 TYR B 205 9.855 -4.990 20.281 1.00 0.00 C ATOM 1422 CE2 TYR B 205 10.413 -3.116 21.641 1.00 0.00 C ATOM 1423 CZ TYR B 205 10.040 -4.435 21.526 1.00 0.00 C ATOM 1424 OH TYR B 205 9.853 -5.175 22.712 1.00 0.00 O ATOM 0 HA TYR B 205 10.898 -3.601 16.766 1.00 0.00 H new ATOM 0 HB2 TYR B 205 11.683 -1.579 18.229 1.00 0.00 H new ATOM 0 HB3 TYR B 205 9.987 -1.139 18.190 1.00 0.00 H new ATOM 0 HD1 TYR B 205 9.907 -4.660 18.182 1.00 0.00 H new ATOM 0 HD2 TYR B 205 10.871 -1.318 20.603 1.00 0.00 H new ATOM 0 HE1 TYR B 205 9.561 -6.025 20.186 1.00 0.00 H new ATOM 0 HE2 TYR B 205 10.567 -2.679 22.617 1.00 0.00 H new ATOM 0 HH TYR B 205 10.034 -4.603 23.487 1.00 0.00 H new ATOM 1434 N LEU B 206 9.050 -2.461 14.844 1.00 0.00 N ATOM 1435 CA LEU B 206 7.869 -2.531 14.040 1.00 0.00 C ATOM 1436 C LEU B 206 7.024 -1.305 14.088 1.00 0.00 C ATOM 1437 O LEU B 206 7.278 -0.367 14.843 1.00 0.00 O ATOM 1438 CB LEU B 206 7.033 -3.785 14.338 1.00 0.00 C ATOM 1439 CG LEU B 206 6.172 -4.397 13.220 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.055 -4.870 12.054 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.418 -5.578 13.856 1.00 0.00 C ATOM 0 H LEU B 206 9.876 -2.287 14.272 1.00 0.00 H new ATOM 0 HA LEU B 206 8.240 -2.603 13.017 1.00 0.00 H new ATOM 0 HB2 LEU B 206 7.716 -4.559 14.687 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.370 -3.547 15.170 1.00 0.00 H new ATOM 0 HG LEU B 206 5.477 -3.666 12.808 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.427 -5.300 11.273 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.608 -4.022 11.649 1.00 0.00 H new ATOM 0 HD13 LEU B 206 7.757 -5.624 12.411 1.00 0.00 H new ATOM 0 HD21 LEU B 206 4.787 -6.054 13.105 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.135 -6.303 14.240 1.00 0.00 H new ATOM 0 HD23 LEU B 206 4.797 -5.215 14.674 1.00 0.00 H new ATOM 1453 N VAL B 207 5.983 -1.291 13.237 1.00 0.00 N ATOM 1454 CA VAL B 207 4.868 -0.396 13.190 1.00 0.00 C ATOM 1455 C VAL B 207 5.151 1.066 13.151 1.00 0.00 C ATOM 1456 O VAL B 207 5.447 1.744 14.133 1.00 0.00 O ATOM 1457 CB VAL B 207 3.671 -0.773 14.010 1.00 0.00 C ATOM 1458 CG1 VAL B 207 2.946 -1.930 13.302 1.00 0.00 C ATOM 1459 CG2 VAL B 207 4.031 -1.168 15.453 1.00 0.00 C ATOM 0 H VAL B 207 5.919 -1.990 12.497 1.00 0.00 H new ATOM 0 HA VAL B 207 4.552 -0.589 12.165 1.00 0.00 H new ATOM 0 HB VAL B 207 3.024 0.101 14.090 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.071 -2.220 13.883 1.00 0.00 H new ATOM 0 HG12 VAL B 207 2.632 -1.609 12.309 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.621 -2.781 13.212 1.00 0.00 H new ATOM 0 HG21 VAL B 207 3.123 -1.430 15.996 1.00 0.00 H new ATOM 0 HG22 VAL B 207 4.705 -2.024 15.438 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.521 -0.330 15.948 1.00 0.00 H new ATOM 1469 N THR B 208 5.062 1.605 11.921 1.00 0.00 N ATOM 1470 CA THR B 208 5.361 2.967 11.606 1.00 0.00 C ATOM 1471 C THR B 208 4.170 3.398 10.823 1.00 0.00 C ATOM 1472 O THR B 208 3.887 2.783 9.796 1.00 0.00 O ATOM 1473 CB THR B 208 6.578 3.121 10.742 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.712 2.496 11.328 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.932 4.601 10.526 1.00 0.00 C ATOM 0 H THR B 208 4.767 1.064 11.108 1.00 0.00 H new ATOM 0 HA THR B 208 5.564 3.542 12.510 1.00 0.00 H new ATOM 0 HB THR B 208 6.334 2.649 9.790 1.00 0.00 H new ATOM 0 HG1 THR B 208 7.973 1.721 10.789 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.818 4.675 9.896 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.098 5.107 10.040 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.131 5.072 11.489 1.00 0.00 H new ATOM 1483 N SER B 209 3.423 4.409 11.302 1.00 0.00 N ATOM 1484 CA SER B 209 2.317 4.998 10.613 1.00 0.00 C ATOM 1485 C SER B 209 2.829 5.918 9.558 1.00 0.00 C ATOM 1486 O SER B 209 3.611 6.824 9.840 1.00 0.00 O ATOM 1487 CB SER B 209 1.322 5.736 11.525 1.00 0.00 C ATOM 1488 OG SER B 209 1.907 6.786 12.281 1.00 0.00 O ATOM 0 H SER B 209 3.599 4.835 12.212 1.00 0.00 H new ATOM 0 HA SER B 209 1.753 4.176 10.173 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.518 6.146 10.913 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.869 5.018 12.208 1.00 0.00 H new ATOM 0 HG SER B 209 2.675 7.151 11.794 1.00 0.00 H new ATOM 1494 N VAL B 210 2.446 5.694 8.289 1.00 0.00 N ATOM 1495 CA VAL B 210 2.932 6.436 7.167 1.00 0.00 C ATOM 1496 C VAL B 210 1.795 6.363 6.158 1.00 0.00 C ATOM 1497 O VAL B 210 0.754 5.702 6.417 1.00 0.00 O ATOM 1498 CB VAL B 210 4.213 5.960 6.549 1.00 0.00 C ATOM 1499 CG1 VAL B 210 5.393 6.676 7.227 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.348 4.430 6.646 1.00 0.00 C ATOM 1501 OXT VAL B 210 1.906 7.093 5.136 1.00 0.00 O ATOM 0 H VAL B 210 1.774 4.970 8.034 1.00 0.00 H new ATOM 0 HA VAL B 210 3.196 7.441 7.497 1.00 0.00 H new ATOM 0 HB VAL B 210 4.212 6.205 5.487 1.00 0.00 H new ATOM 0 HG11 VAL B 210 6.329 6.336 6.783 1.00 0.00 H new ATOM 0 HG12 VAL B 210 5.295 7.752 7.086 1.00 0.00 H new ATOM 0 HG13 VAL B 210 5.393 6.448 8.293 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.287 4.118 6.189 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.337 4.129 7.694 1.00 0.00 H new ATOM 0 HG23 VAL B 210 3.516 3.958 6.124 1.00 0.00 H new TER 1511 VAL B 210