USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 539 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 36 SER OG : rot -109:sc= -3.07! USER MOD Set 1.2: A 37 MET CE :methyl 168:sc= -1.97 (180deg=-2.35!) USER MOD Set 2.1: A 28 MET CE :methyl -153:sc= -2.01 (180deg=-0.752) USER MOD Set 2.2: A 45 CYS SG : rot 73:sc= -1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0202 (180deg=-0.0069) USER MOD Single : A 2 LYS NZ :NH3+ -149:sc= -0.783 (180deg=-1.99!) USER MOD Single : A 4 THR OG1 : rot -170:sc= -1.75! USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= 0.82 (180deg=0.785) USER MOD Single : A 7 MET CE :methyl 174:sc= -0.305 (180deg=-0.364) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -83:sc= -1.17! USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 26 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.45) USER MOD Single : A 29 HIS : no HD1:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.127 USER MOD Single : A 33 CYS SG : rot 180:sc= 0.0163 USER MOD Single : A 35 SER OG : rot -23:sc= 1.22 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 1.12 (180deg=0.895) USER MOD Single : A 57 LYS NZ :NH3+ -126:sc= 1.15 (180deg=-0.326) USER MOD Single : A 60 ASN : amide:sc= 0.7 K(o=0.7,f=-6.8!) USER MOD Single : A 62 TYR OH : rot -177:sc= 0.0083 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= 1.24 (180deg=0.956) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.841 3.033 6.277 1.00 22.52 N ATOM 2 CA MET A 1 11.071 1.561 6.366 1.00 71.25 C ATOM 3 C MET A 1 11.056 0.896 4.983 1.00 65.51 C ATOM 4 O MET A 1 10.381 1.362 4.066 1.00 3.13 O ATOM 5 CB MET A 1 10.000 0.901 7.254 1.00 41.42 C ATOM 6 CG MET A 1 10.124 1.236 8.733 1.00 15.32 C ATOM 7 SD MET A 1 11.671 0.632 9.437 1.00 0.22 S ATOM 8 CE MET A 1 11.501 1.154 11.142 1.00 44.12 C ATOM 0 H1 MET A 1 11.720 3.537 6.514 1.00 22.52 H new ATOM 0 H2 MET A 1 10.550 3.281 5.310 1.00 22.52 H new ATOM 0 H3 MET A 1 10.093 3.309 6.945 1.00 22.52 H new ATOM 0 HA MET A 1 12.058 1.418 6.807 1.00 71.25 H new ATOM 0 HB2 MET A 1 9.014 1.208 6.905 1.00 41.42 H new ATOM 0 HB3 MET A 1 10.059 -0.181 7.132 1.00 41.42 H new ATOM 0 HG2 MET A 1 10.063 2.316 8.866 1.00 15.32 H new ATOM 0 HG3 MET A 1 9.285 0.800 9.275 1.00 15.32 H new ATOM 0 HE1 MET A 1 12.384 0.851 11.705 1.00 44.12 H new ATOM 0 HE2 MET A 1 11.400 2.239 11.182 1.00 44.12 H new ATOM 0 HE3 MET A 1 10.616 0.691 11.578 1.00 44.12 H new ATOM 20 N LYS A 2 11.814 -0.192 4.838 1.00 15.52 N ATOM 21 CA LYS A 2 11.748 -1.022 3.631 1.00 44.24 C ATOM 22 C LYS A 2 10.442 -1.834 3.622 1.00 43.32 C ATOM 23 O LYS A 2 10.330 -2.855 4.301 1.00 10.14 O ATOM 24 CB LYS A 2 12.968 -1.960 3.551 1.00 51.01 C ATOM 25 CG LYS A 2 12.898 -2.988 2.418 1.00 53.20 C ATOM 26 CD LYS A 2 12.988 -2.354 1.025 1.00 55.34 C ATOM 27 CE LYS A 2 14.430 -2.112 0.576 1.00 43.04 C ATOM 28 NZ LYS A 2 15.121 -1.055 1.365 1.00 41.35 N ATOM 0 H LYS A 2 12.479 -0.520 5.538 1.00 15.52 H new ATOM 0 HA LYS A 2 11.762 -0.371 2.757 1.00 44.24 H new ATOM 0 HB2 LYS A 2 13.867 -1.357 3.424 1.00 51.01 H new ATOM 0 HB3 LYS A 2 13.069 -2.488 4.499 1.00 51.01 H new ATOM 0 HG2 LYS A 2 13.709 -3.707 2.537 1.00 53.20 H new ATOM 0 HG3 LYS A 2 11.964 -3.545 2.498 1.00 53.20 H new ATOM 0 HD2 LYS A 2 12.491 -3.002 0.303 1.00 55.34 H new ATOM 0 HD3 LYS A 2 12.449 -1.407 1.026 1.00 55.34 H new ATOM 0 HE2 LYS A 2 14.991 -3.043 0.659 1.00 43.04 H new ATOM 0 HE3 LYS A 2 14.433 -1.831 -0.477 1.00 43.04 H new ATOM 0 HZ1 LYS A 2 15.816 -0.570 0.762 1.00 41.35 H new ATOM 0 HZ2 LYS A 2 14.422 -0.366 1.710 1.00 41.35 H new ATOM 0 HZ3 LYS A 2 15.608 -1.489 2.175 1.00 41.35 H new ATOM 42 N ILE A 3 9.457 -1.356 2.867 1.00 14.11 N ATOM 43 CA ILE A 3 8.133 -1.989 2.815 1.00 3.12 C ATOM 44 C ILE A 3 8.190 -3.357 2.118 1.00 70.30 C ATOM 45 O ILE A 3 8.845 -3.510 1.085 1.00 43.02 O ATOM 46 CB ILE A 3 7.113 -1.089 2.071 1.00 31.50 C ATOM 47 CG1 ILE A 3 7.072 0.314 2.699 1.00 22.43 C ATOM 48 CG2 ILE A 3 5.720 -1.724 2.073 1.00 5.24 C ATOM 49 CD1 ILE A 3 6.662 0.326 4.160 1.00 73.35 C ATOM 0 H ILE A 3 9.547 -0.528 2.278 1.00 14.11 H new ATOM 0 HA ILE A 3 7.810 -2.128 3.847 1.00 3.12 H new ATOM 0 HB ILE A 3 7.438 -0.993 1.035 1.00 31.50 H new ATOM 0 HG12 ILE A 3 8.057 0.771 2.605 1.00 22.43 H new ATOM 0 HG13 ILE A 3 6.377 0.934 2.132 1.00 22.43 H new ATOM 0 HG21 ILE A 3 5.023 -1.073 1.545 1.00 5.24 H new ATOM 0 HG22 ILE A 3 5.761 -2.692 1.575 1.00 5.24 H new ATOM 0 HG23 ILE A 3 5.383 -1.859 3.101 1.00 5.24 H new ATOM 0 HD11 ILE A 3 6.658 1.352 4.528 1.00 73.35 H new ATOM 0 HD12 ILE A 3 5.664 -0.100 4.261 1.00 73.35 H new ATOM 0 HD13 ILE A 3 7.370 -0.265 4.741 1.00 73.35 H new ATOM 61 N THR A 4 7.504 -4.346 2.688 1.00 62.53 N ATOM 62 CA THR A 4 7.423 -5.686 2.088 1.00 20.40 C ATOM 63 C THR A 4 5.970 -6.053 1.766 1.00 22.12 C ATOM 64 O THR A 4 5.040 -5.537 2.386 1.00 74.34 O ATOM 65 CB THR A 4 7.997 -6.777 3.028 1.00 72.44 C ATOM 66 OG1 THR A 4 7.114 -6.981 4.140 1.00 4.01 O ATOM 67 CG2 THR A 4 9.382 -6.391 3.545 1.00 62.35 C ATOM 0 H THR A 4 6.994 -4.249 3.566 1.00 62.53 H new ATOM 0 HA THR A 4 8.017 -5.650 1.174 1.00 20.40 H new ATOM 0 HB THR A 4 8.087 -7.699 2.454 1.00 72.44 H new ATOM 0 HG1 THR A 4 7.553 -7.550 4.806 1.00 4.01 H new ATOM 0 HG21 THR A 4 9.757 -7.176 4.201 1.00 62.35 H new ATOM 0 HG22 THR A 4 10.063 -6.266 2.703 1.00 62.35 H new ATOM 0 HG23 THR A 4 9.315 -5.455 4.100 1.00 62.35 H new ATOM 75 N LYS A 5 5.777 -6.951 0.804 1.00 25.33 N ATOM 76 CA LYS A 5 4.434 -7.437 0.456 1.00 11.22 C ATOM 77 C LYS A 5 3.798 -8.217 1.623 1.00 35.51 C ATOM 78 O LYS A 5 2.589 -8.456 1.647 1.00 12.05 O ATOM 79 CB LYS A 5 4.506 -8.305 -0.813 1.00 70.31 C ATOM 80 CG LYS A 5 5.440 -9.508 -0.696 1.00 52.45 C ATOM 81 CD LYS A 5 5.636 -10.218 -2.037 1.00 2.14 C ATOM 82 CE LYS A 5 6.329 -9.322 -3.065 1.00 21.51 C ATOM 83 NZ LYS A 5 6.611 -10.040 -4.340 1.00 71.01 N ATOM 0 H LYS A 5 6.529 -7.360 0.249 1.00 25.33 H new ATOM 0 HA LYS A 5 3.796 -6.576 0.259 1.00 11.22 H new ATOM 0 HB2 LYS A 5 3.504 -8.659 -1.055 1.00 70.31 H new ATOM 0 HB3 LYS A 5 4.834 -7.684 -1.646 1.00 70.31 H new ATOM 0 HG2 LYS A 5 6.407 -9.180 -0.316 1.00 52.45 H new ATOM 0 HG3 LYS A 5 5.034 -10.212 0.030 1.00 52.45 H new ATOM 0 HD2 LYS A 5 6.228 -11.121 -1.886 1.00 2.14 H new ATOM 0 HD3 LYS A 5 4.667 -10.533 -2.425 1.00 2.14 H new ATOM 0 HE2 LYS A 5 5.701 -8.455 -3.270 1.00 21.51 H new ATOM 0 HE3 LYS A 5 7.263 -8.948 -2.647 1.00 21.51 H new ATOM 0 HZ1 LYS A 5 7.184 -9.433 -4.961 1.00 71.01 H new ATOM 0 HZ2 LYS A 5 7.131 -10.917 -4.137 1.00 71.01 H new ATOM 0 HZ3 LYS A 5 5.715 -10.271 -4.814 1.00 71.01 H new ATOM 97 N ASP A 6 4.632 -8.585 2.594 1.00 24.04 N ATOM 98 CA ASP A 6 4.199 -9.322 3.784 1.00 13.10 C ATOM 99 C ASP A 6 3.568 -8.384 4.838 1.00 65.11 C ATOM 100 O ASP A 6 2.882 -8.838 5.756 1.00 1.51 O ATOM 101 CB ASP A 6 5.412 -10.062 4.368 1.00 73.20 C ATOM 102 CG ASP A 6 5.086 -10.869 5.609 1.00 31.53 C ATOM 103 OD1 ASP A 6 4.365 -11.882 5.491 1.00 5.43 O ATOM 104 OD2 ASP A 6 5.564 -10.506 6.707 1.00 4.41 O ATOM 0 H ASP A 6 5.631 -8.381 2.579 1.00 24.04 H new ATOM 0 HA ASP A 6 3.428 -10.038 3.499 1.00 13.10 H new ATOM 0 HB2 ASP A 6 5.822 -10.728 3.608 1.00 73.20 H new ATOM 0 HB3 ASP A 6 6.189 -9.337 4.609 1.00 73.20 H new ATOM 109 N MET A 7 3.798 -7.080 4.693 1.00 1.11 N ATOM 110 CA MET A 7 3.281 -6.083 5.646 1.00 72.20 C ATOM 111 C MET A 7 1.770 -5.825 5.472 1.00 21.42 C ATOM 112 O MET A 7 1.169 -6.180 4.457 1.00 62.13 O ATOM 113 CB MET A 7 4.046 -4.760 5.497 1.00 73.10 C ATOM 114 CG MET A 7 5.512 -4.843 5.901 1.00 51.44 C ATOM 115 SD MET A 7 6.385 -3.289 5.633 1.00 71.41 S ATOM 116 CE MET A 7 7.990 -3.678 6.329 1.00 13.23 C ATOM 0 H MET A 7 4.339 -6.683 3.925 1.00 1.11 H new ATOM 0 HA MET A 7 3.433 -6.493 6.644 1.00 72.20 H new ATOM 0 HB2 MET A 7 3.984 -4.431 4.460 1.00 73.10 H new ATOM 0 HB3 MET A 7 3.555 -3.998 6.103 1.00 73.10 H new ATOM 0 HG2 MET A 7 5.581 -5.119 6.953 1.00 51.44 H new ATOM 0 HG3 MET A 7 5.999 -5.634 5.331 1.00 51.44 H new ATOM 0 HE1 MET A 7 8.677 -2.852 6.143 1.00 13.23 H new ATOM 0 HE2 MET A 7 7.893 -3.834 7.403 1.00 13.23 H new ATOM 0 HE3 MET A 7 8.378 -4.584 5.864 1.00 13.23 H new ATOM 126 N ILE A 8 1.175 -5.187 6.481 1.00 72.44 N ATOM 127 CA ILE A 8 -0.261 -4.879 6.488 1.00 1.32 C ATOM 128 C ILE A 8 -0.551 -3.519 5.821 1.00 53.04 C ATOM 129 O ILE A 8 0.165 -2.544 6.054 1.00 74.52 O ATOM 130 CB ILE A 8 -0.805 -4.848 7.943 1.00 4.25 C ATOM 131 CG1 ILE A 8 -0.538 -6.188 8.656 1.00 43.40 C ATOM 132 CG2 ILE A 8 -2.295 -4.507 7.963 1.00 73.11 C ATOM 133 CD1 ILE A 8 -1.178 -7.386 7.985 1.00 45.41 C ATOM 0 H ILE A 8 1.670 -4.869 7.314 1.00 72.44 H new ATOM 0 HA ILE A 8 -0.760 -5.665 5.921 1.00 1.32 H new ATOM 0 HB ILE A 8 -0.275 -4.065 8.485 1.00 4.25 H new ATOM 0 HG12 ILE A 8 0.539 -6.349 8.712 1.00 43.40 H new ATOM 0 HG13 ILE A 8 -0.904 -6.121 9.681 1.00 43.40 H new ATOM 0 HG21 ILE A 8 -2.651 -4.492 8.993 1.00 73.11 H new ATOM 0 HG22 ILE A 8 -2.450 -3.527 7.511 1.00 73.11 H new ATOM 0 HG23 ILE A 8 -2.848 -5.258 7.399 1.00 73.11 H new ATOM 0 HD11 ILE A 8 -0.942 -8.288 8.549 1.00 45.41 H new ATOM 0 HD12 ILE A 8 -2.259 -7.251 7.953 1.00 45.41 H new ATOM 0 HD13 ILE A 8 -0.794 -7.482 6.969 1.00 45.41 H new ATOM 145 N ILE A 9 -1.613 -3.454 5.009 1.00 60.24 N ATOM 146 CA ILE A 9 -1.997 -2.209 4.325 1.00 43.54 C ATOM 147 C ILE A 9 -2.178 -1.044 5.320 1.00 33.22 C ATOM 148 O ILE A 9 -1.572 0.021 5.169 1.00 44.53 O ATOM 149 CB ILE A 9 -3.304 -2.392 3.506 1.00 55.34 C ATOM 150 CG1 ILE A 9 -3.122 -3.488 2.441 1.00 70.22 C ATOM 151 CG2 ILE A 9 -3.726 -1.073 2.858 1.00 15.53 C ATOM 152 CD1 ILE A 9 -4.354 -3.729 1.587 1.00 22.34 C ATOM 0 H ILE A 9 -2.222 -4.247 4.808 1.00 60.24 H new ATOM 0 HA ILE A 9 -1.181 -1.965 3.644 1.00 43.54 H new ATOM 0 HB ILE A 9 -4.096 -2.703 4.188 1.00 55.34 H new ATOM 0 HG12 ILE A 9 -2.290 -3.215 1.792 1.00 70.22 H new ATOM 0 HG13 ILE A 9 -2.848 -4.420 2.936 1.00 70.22 H new ATOM 0 HG21 ILE A 9 -4.644 -1.224 2.289 1.00 15.53 H new ATOM 0 HG22 ILE A 9 -3.898 -0.326 3.633 1.00 15.53 H new ATOM 0 HG23 ILE A 9 -2.938 -0.727 2.189 1.00 15.53 H new ATOM 0 HD11 ILE A 9 -4.146 -4.515 0.861 1.00 22.34 H new ATOM 0 HD12 ILE A 9 -5.184 -4.034 2.224 1.00 22.34 H new ATOM 0 HD13 ILE A 9 -4.618 -2.811 1.062 1.00 22.34 H new ATOM 164 N ALA A 10 -3.005 -1.261 6.345 1.00 10.44 N ATOM 165 CA ALA A 10 -3.253 -0.244 7.377 1.00 2.34 C ATOM 166 C ALA A 10 -1.955 0.184 8.080 1.00 53.11 C ATOM 167 O ALA A 10 -1.769 1.357 8.401 1.00 74.33 O ATOM 168 CB ALA A 10 -4.259 -0.761 8.400 1.00 1.05 C ATOM 0 H ALA A 10 -3.516 -2.132 6.485 1.00 10.44 H new ATOM 0 HA ALA A 10 -3.666 0.634 6.880 1.00 2.34 H new ATOM 0 HB1 ALA A 10 -4.433 0.003 9.158 1.00 1.05 H new ATOM 0 HB2 ALA A 10 -5.199 -0.996 7.900 1.00 1.05 H new ATOM 0 HB3 ALA A 10 -3.866 -1.660 8.875 1.00 1.05 H new ATOM 174 N ASP A 11 -1.059 -0.773 8.310 1.00 0.43 N ATOM 175 CA ASP A 11 0.219 -0.491 8.974 1.00 2.32 C ATOM 176 C ASP A 11 1.082 0.464 8.122 1.00 70.24 C ATOM 177 O ASP A 11 1.733 1.369 8.651 1.00 64.11 O ATOM 178 CB ASP A 11 0.969 -1.802 9.246 1.00 14.41 C ATOM 179 CG ASP A 11 2.066 -1.650 10.285 1.00 52.41 C ATOM 180 OD1 ASP A 11 3.177 -1.212 9.930 1.00 30.25 O ATOM 181 OD2 ASP A 11 1.818 -1.976 11.468 1.00 75.44 O ATOM 0 H ASP A 11 -1.191 -1.750 8.048 1.00 0.43 H new ATOM 0 HA ASP A 11 0.016 0.001 9.925 1.00 2.32 H new ATOM 0 HB2 ASP A 11 0.259 -2.558 9.582 1.00 14.41 H new ATOM 0 HB3 ASP A 11 1.405 -2.165 8.315 1.00 14.41 H new ATOM 186 N VAL A 12 1.067 0.260 6.801 1.00 42.13 N ATOM 187 CA VAL A 12 1.764 1.155 5.866 1.00 44.44 C ATOM 188 C VAL A 12 1.147 2.566 5.895 1.00 50.00 C ATOM 189 O VAL A 12 1.859 3.573 5.850 1.00 60.34 O ATOM 190 CB VAL A 12 1.726 0.599 4.417 1.00 30.03 C ATOM 191 CG1 VAL A 12 2.444 1.538 3.444 1.00 13.21 C ATOM 192 CG2 VAL A 12 2.329 -0.806 4.363 1.00 34.55 C ATOM 0 H VAL A 12 0.580 -0.516 6.353 1.00 42.13 H new ATOM 0 HA VAL A 12 2.804 1.214 6.188 1.00 44.44 H new ATOM 0 HB VAL A 12 0.682 0.537 4.108 1.00 30.03 H new ATOM 0 HG11 VAL A 12 2.401 1.122 2.438 1.00 13.21 H new ATOM 0 HG12 VAL A 12 1.958 2.514 3.454 1.00 13.21 H new ATOM 0 HG13 VAL A 12 3.485 1.648 3.746 1.00 13.21 H new ATOM 0 HG21 VAL A 12 2.293 -1.178 3.339 1.00 34.55 H new ATOM 0 HG22 VAL A 12 3.365 -0.771 4.700 1.00 34.55 H new ATOM 0 HG23 VAL A 12 1.759 -1.472 5.011 1.00 34.55 H new ATOM 202 N LEU A 13 -0.183 2.631 5.984 1.00 14.34 N ATOM 203 CA LEU A 13 -0.894 3.911 6.134 1.00 43.34 C ATOM 204 C LEU A 13 -0.484 4.622 7.431 1.00 23.53 C ATOM 205 O LEU A 13 -0.422 5.853 7.492 1.00 1.13 O ATOM 206 CB LEU A 13 -2.411 3.688 6.129 1.00 72.20 C ATOM 207 CG LEU A 13 -2.984 3.062 4.848 1.00 23.12 C ATOM 208 CD1 LEU A 13 -4.485 2.834 4.988 1.00 74.43 C ATOM 209 CD2 LEU A 13 -2.685 3.941 3.637 1.00 13.35 C ATOM 0 H LEU A 13 -0.793 1.814 5.955 1.00 14.34 H new ATOM 0 HA LEU A 13 -0.621 4.542 5.288 1.00 43.34 H new ATOM 0 HB2 LEU A 13 -2.669 3.047 6.972 1.00 72.20 H new ATOM 0 HB3 LEU A 13 -2.902 4.647 6.295 1.00 72.20 H new ATOM 0 HG LEU A 13 -2.503 2.096 4.695 1.00 23.12 H new ATOM 0 HD11 LEU A 13 -4.873 2.390 4.071 1.00 74.43 H new ATOM 0 HD12 LEU A 13 -4.674 2.162 5.825 1.00 74.43 H new ATOM 0 HD13 LEU A 13 -4.983 3.787 5.168 1.00 74.43 H new ATOM 0 HD21 LEU A 13 -3.100 3.479 2.741 1.00 13.35 H new ATOM 0 HD22 LEU A 13 -3.135 4.923 3.780 1.00 13.35 H new ATOM 0 HD23 LEU A 13 -1.606 4.049 3.523 1.00 13.35 H new ATOM 221 N GLN A 14 -0.216 3.835 8.469 1.00 43.13 N ATOM 222 CA GLN A 14 0.246 4.366 9.755 1.00 23.10 C ATOM 223 C GLN A 14 1.671 4.940 9.649 1.00 22.41 C ATOM 224 O GLN A 14 2.099 5.721 10.499 1.00 51.20 O ATOM 225 CB GLN A 14 0.161 3.274 10.831 1.00 31.43 C ATOM 226 CG GLN A 14 -1.278 2.880 11.164 1.00 40.32 C ATOM 227 CD GLN A 14 -1.389 1.685 12.097 1.00 23.42 C ATOM 228 OE1 GLN A 14 -0.507 1.419 12.907 1.00 35.32 O ATOM 229 NE2 GLN A 14 -2.487 0.960 11.998 1.00 50.35 N ATOM 0 H GLN A 14 -0.311 2.820 8.447 1.00 43.13 H new ATOM 0 HA GLN A 14 -0.407 5.190 10.043 1.00 23.10 H new ATOM 0 HB2 GLN A 14 0.705 2.393 10.491 1.00 31.43 H new ATOM 0 HB3 GLN A 14 0.656 3.624 11.737 1.00 31.43 H new ATOM 0 HG2 GLN A 14 -1.782 3.732 11.620 1.00 40.32 H new ATOM 0 HG3 GLN A 14 -1.807 2.656 10.238 1.00 40.32 H new ATOM 0 HE21 GLN A 14 -3.202 1.208 11.314 1.00 50.35 H new ATOM 0 HE22 GLN A 14 -2.621 0.152 12.606 1.00 50.35 H new ATOM 238 N MET A 15 2.402 4.548 8.604 1.00 71.54 N ATOM 239 CA MET A 15 3.691 5.178 8.286 1.00 62.32 C ATOM 240 C MET A 15 3.455 6.486 7.522 1.00 73.10 C ATOM 241 O MET A 15 3.996 7.541 7.870 1.00 1.03 O ATOM 242 CB MET A 15 4.564 4.240 7.442 1.00 24.44 C ATOM 243 CG MET A 15 4.592 2.811 7.948 1.00 4.51 C ATOM 244 SD MET A 15 5.821 1.798 7.103 1.00 64.43 S ATOM 245 CE MET A 15 5.548 0.210 7.890 1.00 21.24 C ATOM 0 H MET A 15 2.128 3.802 7.965 1.00 71.54 H new ATOM 0 HA MET A 15 4.210 5.388 9.221 1.00 62.32 H new ATOM 0 HB2 MET A 15 4.199 4.245 6.415 1.00 24.44 H new ATOM 0 HB3 MET A 15 5.582 4.628 7.420 1.00 24.44 H new ATOM 0 HG2 MET A 15 4.802 2.813 9.018 1.00 4.51 H new ATOM 0 HG3 MET A 15 3.606 2.364 7.817 1.00 4.51 H new ATOM 0 HE1 MET A 15 6.236 -0.526 7.473 1.00 21.24 H new ATOM 0 HE2 MET A 15 5.720 0.301 8.962 1.00 21.24 H new ATOM 0 HE3 MET A 15 4.522 -0.112 7.714 1.00 21.24 H new ATOM 255 N ASP A 16 2.639 6.409 6.472 1.00 60.21 N ATOM 256 CA ASP A 16 2.254 7.600 5.708 1.00 31.54 C ATOM 257 C ASP A 16 0.864 7.438 5.061 1.00 54.52 C ATOM 258 O ASP A 16 0.574 6.423 4.422 1.00 41.23 O ATOM 259 CB ASP A 16 3.301 7.914 4.635 1.00 70.34 C ATOM 260 CG ASP A 16 3.137 9.319 4.088 1.00 24.25 C ATOM 261 OD1 ASP A 16 3.667 10.262 4.712 1.00 60.44 O ATOM 262 OD2 ASP A 16 2.465 9.493 3.058 1.00 70.05 O ATOM 0 H ASP A 16 2.232 5.539 6.130 1.00 60.21 H new ATOM 0 HA ASP A 16 2.202 8.433 6.409 1.00 31.54 H new ATOM 0 HB2 ASP A 16 4.300 7.802 5.057 1.00 70.34 H new ATOM 0 HB3 ASP A 16 3.216 7.194 3.821 1.00 70.34 H new ATOM 267 N ARG A 17 0.019 8.458 5.217 1.00 4.21 N ATOM 268 CA ARG A 17 -1.354 8.431 4.688 1.00 63.45 C ATOM 269 C ARG A 17 -1.403 8.610 3.159 1.00 72.25 C ATOM 270 O ARG A 17 -2.419 8.313 2.524 1.00 13.15 O ATOM 271 CB ARG A 17 -2.197 9.516 5.374 1.00 14.01 C ATOM 272 CG ARG A 17 -2.502 9.220 6.840 1.00 50.41 C ATOM 273 CD ARG A 17 -3.393 7.989 6.989 1.00 5.22 C ATOM 274 NE ARG A 17 -3.710 7.693 8.387 1.00 12.41 N ATOM 275 CZ ARG A 17 -4.898 7.827 8.918 1.00 35.14 C ATOM 276 NH1 ARG A 17 -5.870 8.356 8.252 1.00 63.21 N ATOM 277 NH2 ARG A 17 -5.105 7.445 10.133 1.00 64.12 N ATOM 0 H ARG A 17 0.259 9.320 5.708 1.00 4.21 H new ATOM 0 HA ARG A 17 -1.767 7.446 4.906 1.00 63.45 H new ATOM 0 HB2 ARG A 17 -1.672 10.469 5.306 1.00 14.01 H new ATOM 0 HB3 ARG A 17 -3.136 9.631 4.833 1.00 14.01 H new ATOM 0 HG2 ARG A 17 -1.570 9.063 7.382 1.00 50.41 H new ATOM 0 HG3 ARG A 17 -2.992 10.082 7.292 1.00 50.41 H new ATOM 0 HD2 ARG A 17 -4.319 8.145 6.435 1.00 5.22 H new ATOM 0 HD3 ARG A 17 -2.896 7.128 6.542 1.00 5.22 H new ATOM 0 HE ARG A 17 -2.955 7.360 8.987 1.00 12.41 H new ATOM 0 HH11 ARG A 17 -5.718 8.677 7.296 1.00 63.21 H new ATOM 0 HH12 ARG A 17 -6.790 8.453 8.682 1.00 63.21 H new ATOM 0 HH21 ARG A 17 -4.343 7.040 10.677 1.00 64.12 H new ATOM 0 HH22 ARG A 17 -6.030 7.548 10.549 1.00 64.12 H new ATOM 291 N GLY A 18 -0.307 9.087 2.572 1.00 35.30 N ATOM 292 CA GLY A 18 -0.256 9.302 1.127 1.00 71.12 C ATOM 293 C GLY A 18 -0.056 8.016 0.329 1.00 61.11 C ATOM 294 O GLY A 18 -0.037 8.037 -0.904 1.00 2.10 O ATOM 0 H GLY A 18 0.550 9.330 3.069 1.00 35.30 H new ATOM 0 HA2 GLY A 18 -1.181 9.780 0.805 1.00 71.12 H new ATOM 0 HA3 GLY A 18 0.556 9.993 0.898 1.00 71.12 H new ATOM 298 N THR A 19 0.090 6.894 1.029 1.00 74.41 N ATOM 299 CA THR A 19 0.268 5.589 0.380 1.00 43.15 C ATOM 300 C THR A 19 -1.066 4.992 -0.094 1.00 74.33 C ATOM 301 O THR A 19 -1.091 4.153 -0.994 1.00 12.43 O ATOM 302 CB THR A 19 0.954 4.579 1.327 1.00 74.42 C ATOM 303 OG1 THR A 19 0.154 4.393 2.503 1.00 51.42 O ATOM 304 CG2 THR A 19 2.345 5.062 1.723 1.00 44.43 C ATOM 0 H THR A 19 0.089 6.858 2.048 1.00 74.41 H new ATOM 0 HA THR A 19 0.902 5.767 -0.488 1.00 43.15 H new ATOM 0 HB THR A 19 1.055 3.630 0.800 1.00 74.42 H new ATOM 0 HG1 THR A 19 0.345 5.108 3.145 1.00 51.42 H new ATOM 0 HG21 THR A 19 2.807 4.334 2.390 1.00 44.43 H new ATOM 0 HG22 THR A 19 2.959 5.176 0.829 1.00 44.43 H new ATOM 0 HG23 THR A 19 2.265 6.022 2.233 1.00 44.43 H new ATOM 312 N ALA A 20 -2.175 5.439 0.505 1.00 11.33 N ATOM 313 CA ALA A 20 -3.514 4.933 0.151 1.00 23.55 C ATOM 314 C ALA A 20 -3.821 5.061 -1.360 1.00 11.42 C ATOM 315 O ALA A 20 -4.244 4.083 -1.986 1.00 13.43 O ATOM 316 CB ALA A 20 -4.589 5.624 0.990 1.00 31.11 C ATOM 0 H ALA A 20 -2.176 6.149 1.237 1.00 11.33 H new ATOM 0 HA ALA A 20 -3.522 3.867 0.379 1.00 23.55 H new ATOM 0 HB1 ALA A 20 -5.570 5.237 0.714 1.00 31.11 H new ATOM 0 HB2 ALA A 20 -4.406 5.430 2.047 1.00 31.11 H new ATOM 0 HB3 ALA A 20 -4.558 6.698 0.808 1.00 31.11 H new ATOM 322 N PRO A 21 -3.626 6.259 -1.974 1.00 53.24 N ATOM 323 CA PRO A 21 -3.777 6.429 -3.431 1.00 55.33 C ATOM 324 C PRO A 21 -3.003 5.371 -4.234 1.00 24.32 C ATOM 325 O PRO A 21 -3.499 4.842 -5.224 1.00 53.22 O ATOM 326 CB PRO A 21 -3.187 7.821 -3.692 1.00 15.32 C ATOM 327 CG PRO A 21 -3.361 8.560 -2.409 1.00 72.30 C ATOM 328 CD PRO A 21 -3.277 7.533 -1.308 1.00 61.35 C ATOM 0 HA PRO A 21 -4.816 6.320 -3.741 1.00 55.33 H new ATOM 0 HB2 PRO A 21 -2.135 7.758 -3.972 1.00 15.32 H new ATOM 0 HB3 PRO A 21 -3.705 8.322 -4.510 1.00 15.32 H new ATOM 0 HG2 PRO A 21 -2.588 9.319 -2.291 1.00 72.30 H new ATOM 0 HG3 PRO A 21 -4.321 9.076 -2.386 1.00 72.30 H new ATOM 0 HD2 PRO A 21 -2.278 7.495 -0.874 1.00 61.35 H new ATOM 0 HD3 PRO A 21 -3.968 7.761 -0.497 1.00 61.35 H new ATOM 336 N ILE A 22 -1.784 5.066 -3.784 1.00 14.23 N ATOM 337 CA ILE A 22 -0.927 4.072 -4.446 1.00 64.31 C ATOM 338 C ILE A 22 -1.578 2.679 -4.448 1.00 11.23 C ATOM 339 O ILE A 22 -1.578 1.978 -5.466 1.00 43.01 O ATOM 340 CB ILE A 22 0.456 3.983 -3.757 1.00 53.33 C ATOM 341 CG1 ILE A 22 1.102 5.377 -3.686 1.00 60.42 C ATOM 342 CG2 ILE A 22 1.367 3.004 -4.498 1.00 64.34 C ATOM 343 CD1 ILE A 22 2.405 5.410 -2.919 1.00 20.44 C ATOM 0 H ILE A 22 -1.364 5.494 -2.959 1.00 14.23 H new ATOM 0 HA ILE A 22 -0.797 4.403 -5.476 1.00 64.31 H new ATOM 0 HB ILE A 22 0.316 3.611 -2.742 1.00 53.33 H new ATOM 0 HG12 ILE A 22 1.279 5.737 -4.700 1.00 60.42 H new ATOM 0 HG13 ILE A 22 0.400 6.069 -3.220 1.00 60.42 H new ATOM 0 HG21 ILE A 22 2.334 2.957 -3.997 1.00 64.34 H new ATOM 0 HG22 ILE A 22 0.911 2.014 -4.501 1.00 64.34 H new ATOM 0 HG23 ILE A 22 1.506 3.343 -5.525 1.00 64.34 H new ATOM 0 HD11 ILE A 22 2.798 6.427 -2.913 1.00 20.44 H new ATOM 0 HD12 ILE A 22 2.232 5.082 -1.894 1.00 20.44 H new ATOM 0 HD13 ILE A 22 3.125 4.745 -3.396 1.00 20.44 H new ATOM 355 N PHE A 23 -2.131 2.278 -3.302 1.00 12.52 N ATOM 356 CA PHE A 23 -2.865 1.013 -3.204 1.00 34.31 C ATOM 357 C PHE A 23 -4.041 0.981 -4.197 1.00 52.31 C ATOM 358 O PHE A 23 -4.187 0.037 -4.981 1.00 3.14 O ATOM 359 CB PHE A 23 -3.379 0.786 -1.771 1.00 30.42 C ATOM 360 CG PHE A 23 -2.294 0.494 -0.758 1.00 54.35 C ATOM 361 CD1 PHE A 23 -1.605 -0.711 -0.791 1.00 23.12 C ATOM 362 CD2 PHE A 23 -1.970 1.415 0.231 1.00 51.41 C ATOM 363 CE1 PHE A 23 -0.620 -0.990 0.135 1.00 12.23 C ATOM 364 CE2 PHE A 23 -0.984 1.138 1.162 1.00 23.14 C ATOM 365 CZ PHE A 23 -0.309 -0.067 1.112 1.00 13.34 C ATOM 0 H PHE A 23 -2.086 2.808 -2.431 1.00 12.52 H new ATOM 0 HA PHE A 23 -2.174 0.209 -3.458 1.00 34.31 H new ATOM 0 HB2 PHE A 23 -3.930 1.671 -1.451 1.00 30.42 H new ATOM 0 HB3 PHE A 23 -4.085 -0.044 -1.778 1.00 30.42 H new ATOM 0 HD1 PHE A 23 -1.843 -1.440 -1.552 1.00 23.12 H new ATOM 0 HD2 PHE A 23 -2.494 2.358 0.274 1.00 51.41 H new ATOM 0 HE1 PHE A 23 -0.092 -1.932 0.095 1.00 12.23 H new ATOM 0 HE2 PHE A 23 -0.743 1.862 1.926 1.00 23.14 H new ATOM 0 HZ PHE A 23 0.461 -0.286 1.837 1.00 13.34 H new ATOM 375 N ILE A 24 -4.872 2.025 -4.165 1.00 14.33 N ATOM 376 CA ILE A 24 -6.030 2.132 -5.065 1.00 5.13 C ATOM 377 C ILE A 24 -5.587 2.142 -6.540 1.00 33.23 C ATOM 378 O ILE A 24 -6.225 1.526 -7.398 1.00 75.22 O ATOM 379 CB ILE A 24 -6.858 3.410 -4.760 1.00 20.00 C ATOM 380 CG1 ILE A 24 -7.304 3.420 -3.285 1.00 64.41 C ATOM 381 CG2 ILE A 24 -8.071 3.509 -5.690 1.00 42.43 C ATOM 382 CD1 ILE A 24 -8.065 4.666 -2.877 1.00 33.23 C ATOM 0 H ILE A 24 -4.767 2.812 -3.525 1.00 14.33 H new ATOM 0 HA ILE A 24 -6.657 1.257 -4.892 1.00 5.13 H new ATOM 0 HB ILE A 24 -6.224 4.279 -4.938 1.00 20.00 H new ATOM 0 HG12 ILE A 24 -7.931 2.548 -3.100 1.00 64.41 H new ATOM 0 HG13 ILE A 24 -6.424 3.320 -2.650 1.00 64.41 H new ATOM 0 HG21 ILE A 24 -8.635 4.412 -5.457 1.00 42.43 H new ATOM 0 HG22 ILE A 24 -7.733 3.549 -6.726 1.00 42.43 H new ATOM 0 HG23 ILE A 24 -8.709 2.636 -5.550 1.00 42.43 H new ATOM 0 HD11 ILE A 24 -8.343 4.595 -1.825 1.00 33.23 H new ATOM 0 HD12 ILE A 24 -7.435 5.543 -3.027 1.00 33.23 H new ATOM 0 HD13 ILE A 24 -8.965 4.758 -3.485 1.00 33.23 H new ATOM 394 N ASN A 25 -4.478 2.826 -6.811 1.00 13.32 N ATOM 395 CA ASN A 25 -3.890 2.893 -8.155 1.00 64.12 C ATOM 396 C ASN A 25 -3.694 1.491 -8.756 1.00 31.32 C ATOM 397 O ASN A 25 -3.966 1.260 -9.935 1.00 71.43 O ATOM 398 CB ASN A 25 -2.540 3.618 -8.083 1.00 14.12 C ATOM 399 CG ASN A 25 -1.870 3.777 -9.437 1.00 54.34 C ATOM 400 OD1 ASN A 25 -2.522 3.980 -10.456 1.00 35.22 O ATOM 401 ND2 ASN A 25 -0.557 3.676 -9.459 1.00 4.14 N ATOM 0 H ASN A 25 -3.958 3.351 -6.108 1.00 13.32 H new ATOM 0 HA ASN A 25 -4.576 3.441 -8.801 1.00 64.12 H new ATOM 0 HB2 ASN A 25 -2.688 4.603 -7.641 1.00 14.12 H new ATOM 0 HB3 ASN A 25 -1.874 3.067 -7.419 1.00 14.12 H new ATOM 0 HD21 ASN A 25 -0.053 3.767 -10.341 1.00 4.14 H new ATOM 0 HD22 ASN A 25 -0.044 3.507 -8.594 1.00 4.14 H new ATOM 408 N ASN A 26 -3.227 0.558 -7.930 1.00 62.14 N ATOM 409 CA ASN A 26 -2.970 -0.815 -8.375 1.00 50.33 C ATOM 410 C ASN A 26 -4.233 -1.696 -8.311 1.00 73.11 C ATOM 411 O ASN A 26 -4.211 -2.850 -8.743 1.00 3.14 O ATOM 412 CB ASN A 26 -1.830 -1.425 -7.554 1.00 31.01 C ATOM 413 CG ASN A 26 -0.486 -0.813 -7.918 1.00 40.54 C ATOM 414 OD1 ASN A 26 0.225 -1.317 -8.779 1.00 70.11 O ATOM 415 ND2 ASN A 26 -0.137 0.284 -7.280 1.00 61.44 N ATOM 0 H ASN A 26 -3.017 0.725 -6.946 1.00 62.14 H new ATOM 0 HA ASN A 26 -2.672 -0.775 -9.423 1.00 50.33 H new ATOM 0 HB2 ASN A 26 -2.024 -1.273 -6.492 1.00 31.01 H new ATOM 0 HB3 ASN A 26 -1.797 -2.502 -7.721 1.00 31.01 H new ATOM 0 HD21 ASN A 26 0.749 0.740 -7.497 1.00 61.44 H new ATOM 0 HD22 ASN A 26 -0.752 0.678 -6.568 1.00 61.44 H new ATOM 422 N GLY A 27 -5.338 -1.151 -7.795 1.00 62.55 N ATOM 423 CA GLY A 27 -6.607 -1.882 -7.807 1.00 62.54 C ATOM 424 C GLY A 27 -7.255 -2.074 -6.434 1.00 55.43 C ATOM 425 O GLY A 27 -8.366 -2.597 -6.348 1.00 12.51 O ATOM 0 H GLY A 27 -5.381 -0.224 -7.371 1.00 62.55 H new ATOM 0 HA2 GLY A 27 -7.308 -1.353 -8.452 1.00 62.54 H new ATOM 0 HA3 GLY A 27 -6.440 -2.862 -8.254 1.00 62.54 H new ATOM 429 N MET A 28 -6.579 -1.671 -5.355 1.00 30.34 N ATOM 430 CA MET A 28 -7.141 -1.824 -4.002 1.00 74.35 C ATOM 431 C MET A 28 -8.394 -0.962 -3.804 1.00 23.22 C ATOM 432 O MET A 28 -8.478 0.163 -4.299 1.00 2.12 O ATOM 433 CB MET A 28 -6.110 -1.472 -2.930 1.00 44.34 C ATOM 434 CG MET A 28 -4.928 -2.424 -2.879 1.00 31.32 C ATOM 435 SD MET A 28 -5.413 -4.097 -2.419 1.00 31.34 S ATOM 436 CE MET A 28 -3.811 -4.889 -2.305 1.00 23.03 C ATOM 0 H MET A 28 -5.654 -1.242 -5.385 1.00 30.34 H new ATOM 0 HA MET A 28 -7.421 -2.872 -3.899 1.00 74.35 H new ATOM 0 HB2 MET A 28 -5.743 -0.462 -3.110 1.00 44.34 H new ATOM 0 HB3 MET A 28 -6.600 -1.464 -1.957 1.00 44.34 H new ATOM 0 HG2 MET A 28 -4.440 -2.445 -3.853 1.00 31.32 H new ATOM 0 HG3 MET A 28 -4.195 -2.051 -2.163 1.00 31.32 H new ATOM 0 HE1 MET A 28 -3.917 -5.955 -2.506 1.00 23.03 H new ATOM 0 HE2 MET A 28 -3.134 -4.447 -3.036 1.00 23.03 H new ATOM 0 HE3 MET A 28 -3.406 -4.747 -1.303 1.00 23.03 H new ATOM 446 N HIS A 29 -9.360 -1.493 -3.065 1.00 4.20 N ATOM 447 CA HIS A 29 -10.620 -0.789 -2.809 1.00 61.43 C ATOM 448 C HIS A 29 -10.695 -0.336 -1.342 1.00 74.45 C ATOM 449 O HIS A 29 -11.269 -1.023 -0.495 1.00 74.11 O ATOM 450 CB HIS A 29 -11.816 -1.691 -3.159 1.00 2.41 C ATOM 451 CG HIS A 29 -11.772 -2.236 -4.556 1.00 52.33 C ATOM 452 ND1 HIS A 29 -12.584 -1.780 -5.571 1.00 40.01 N ATOM 453 CD2 HIS A 29 -11.008 -3.210 -5.106 1.00 13.33 C ATOM 454 CE1 HIS A 29 -12.318 -2.438 -6.679 1.00 51.04 C ATOM 455 NE2 HIS A 29 -11.364 -3.312 -6.427 1.00 14.44 N ATOM 0 H HIS A 29 -9.299 -2.413 -2.629 1.00 4.20 H new ATOM 0 HA HIS A 29 -10.658 0.097 -3.443 1.00 61.43 H new ATOM 0 HB2 HIS A 29 -11.851 -2.522 -2.455 1.00 2.41 H new ATOM 0 HB3 HIS A 29 -12.738 -1.124 -3.029 1.00 2.41 H new ATOM 0 HD2 HIS A 29 -10.257 -3.798 -4.598 1.00 13.33 H new ATOM 0 HE1 HIS A 29 -12.800 -2.287 -7.634 1.00 51.04 H new ATOM 0 HE2 HIS A 29 -10.957 -3.958 -7.103 1.00 14.44 H new ATOM 464 N CYS A 30 -10.090 0.815 -1.049 1.00 0.12 N ATOM 465 CA CYS A 30 -9.997 1.320 0.331 1.00 42.23 C ATOM 466 C CYS A 30 -11.368 1.697 0.909 1.00 51.03 C ATOM 467 O CYS A 30 -11.894 2.771 0.619 1.00 3.25 O ATOM 468 CB CYS A 30 -9.058 2.532 0.393 1.00 42.03 C ATOM 469 SG CYS A 30 -7.360 2.175 -0.118 1.00 13.20 S ATOM 0 H CYS A 30 -9.655 1.420 -1.746 1.00 0.12 H new ATOM 0 HA CYS A 30 -9.594 0.510 0.939 1.00 42.23 H new ATOM 0 HB2 CYS A 30 -9.459 3.322 -0.242 1.00 42.03 H new ATOM 0 HB3 CYS A 30 -9.046 2.918 1.412 1.00 42.03 H new ATOM 0 HG CYS A 30 -6.645 3.257 -0.034 1.00 13.20 H new ATOM 475 N LEU A 31 -11.942 0.811 1.730 1.00 64.04 N ATOM 476 CA LEU A 31 -13.249 1.075 2.352 1.00 13.23 C ATOM 477 C LEU A 31 -13.589 0.034 3.441 1.00 24.32 C ATOM 478 O LEU A 31 -14.269 -0.954 3.174 1.00 60.31 O ATOM 479 CB LEU A 31 -14.360 1.112 1.273 1.00 71.25 C ATOM 480 CG LEU A 31 -15.657 1.877 1.634 1.00 10.34 C ATOM 481 CD1 LEU A 31 -16.485 1.143 2.690 1.00 14.32 C ATOM 482 CD2 LEU A 31 -15.329 3.297 2.096 1.00 0.22 C ATOM 0 H LEU A 31 -11.529 -0.088 1.979 1.00 64.04 H new ATOM 0 HA LEU A 31 -13.191 2.049 2.838 1.00 13.23 H new ATOM 0 HB2 LEU A 31 -13.942 1.558 0.370 1.00 71.25 H new ATOM 0 HB3 LEU A 31 -14.629 0.085 1.026 1.00 71.25 H new ATOM 0 HG LEU A 31 -16.265 1.931 0.731 1.00 10.34 H new ATOM 0 HD11 LEU A 31 -17.385 1.717 2.911 1.00 14.32 H new ATOM 0 HD12 LEU A 31 -16.766 0.159 2.313 1.00 14.32 H new ATOM 0 HD13 LEU A 31 -15.895 1.028 3.600 1.00 14.32 H new ATOM 0 HD21 LEU A 31 -16.252 3.821 2.346 1.00 0.22 H new ATOM 0 HD22 LEU A 31 -14.687 3.254 2.976 1.00 0.22 H new ATOM 0 HD23 LEU A 31 -14.814 3.830 1.296 1.00 0.22 H new ATOM 494 N GLY A 32 -13.072 0.251 4.653 1.00 30.33 N ATOM 495 CA GLY A 32 -13.506 -0.511 5.831 1.00 15.44 C ATOM 496 C GLY A 32 -13.019 -1.963 5.901 1.00 62.45 C ATOM 497 O GLY A 32 -12.294 -2.336 6.827 1.00 51.01 O ATOM 0 H GLY A 32 -12.352 0.948 4.846 1.00 30.33 H new ATOM 0 HA2 GLY A 32 -13.164 0.011 6.725 1.00 15.44 H new ATOM 0 HA3 GLY A 32 -14.596 -0.511 5.859 1.00 15.44 H new ATOM 501 N CYS A 33 -13.436 -2.779 4.936 1.00 35.50 N ATOM 502 CA CYS A 33 -13.190 -4.234 4.944 1.00 61.24 C ATOM 503 C CYS A 33 -11.721 -4.611 5.230 1.00 23.12 C ATOM 504 O CYS A 33 -10.794 -3.894 4.845 1.00 41.13 O ATOM 505 CB CYS A 33 -13.616 -4.835 3.601 1.00 5.04 C ATOM 506 SG CYS A 33 -15.365 -4.590 3.205 1.00 53.01 S ATOM 0 H CYS A 33 -13.956 -2.457 4.120 1.00 35.50 H new ATOM 0 HA CYS A 33 -13.784 -4.644 5.761 1.00 61.24 H new ATOM 0 HB2 CYS A 33 -13.010 -4.395 2.809 1.00 5.04 H new ATOM 0 HB3 CYS A 33 -13.402 -5.904 3.609 1.00 5.04 H new ATOM 0 HG CYS A 33 -15.629 -5.130 2.052 1.00 53.01 H new ATOM 512 N PRO A 34 -11.496 -5.762 5.906 1.00 42.41 N ATOM 513 CA PRO A 34 -10.142 -6.247 6.251 1.00 63.01 C ATOM 514 C PRO A 34 -9.176 -6.288 5.050 1.00 31.24 C ATOM 515 O PRO A 34 -8.037 -5.831 5.154 1.00 24.50 O ATOM 516 CB PRO A 34 -10.402 -7.661 6.787 1.00 21.53 C ATOM 517 CG PRO A 34 -11.789 -7.605 7.326 1.00 63.20 C ATOM 518 CD PRO A 34 -12.544 -6.677 6.411 1.00 55.41 C ATOM 0 HA PRO A 34 -9.651 -5.582 6.961 1.00 63.01 H new ATOM 0 HB2 PRO A 34 -10.312 -8.408 5.998 1.00 21.53 H new ATOM 0 HB3 PRO A 34 -9.685 -7.930 7.563 1.00 21.53 H new ATOM 0 HG2 PRO A 34 -12.244 -8.596 7.341 1.00 63.20 H new ATOM 0 HG3 PRO A 34 -11.796 -7.235 8.351 1.00 63.20 H new ATOM 0 HD2 PRO A 34 -13.028 -7.220 5.599 1.00 55.41 H new ATOM 0 HD3 PRO A 34 -13.326 -6.136 6.944 1.00 55.41 H new ATOM 526 N SER A 35 -9.642 -6.815 3.909 1.00 73.42 N ATOM 527 CA SER A 35 -8.817 -6.899 2.681 1.00 52.25 C ATOM 528 C SER A 35 -8.403 -5.508 2.179 1.00 34.13 C ATOM 529 O SER A 35 -7.591 -5.379 1.264 1.00 1.13 O ATOM 530 CB SER A 35 -9.575 -7.634 1.560 1.00 72.40 C ATOM 531 OG SER A 35 -9.982 -8.933 1.967 1.00 12.21 O ATOM 0 H SER A 35 -10.584 -7.191 3.804 1.00 73.42 H new ATOM 0 HA SER A 35 -7.919 -7.458 2.942 1.00 52.25 H new ATOM 0 HB2 SER A 35 -10.450 -7.052 1.270 1.00 72.40 H new ATOM 0 HB3 SER A 35 -8.937 -7.711 0.679 1.00 72.40 H new ATOM 0 HG SER A 35 -9.410 -9.240 2.701 1.00 12.21 H new ATOM 537 N SER A 36 -8.996 -4.476 2.762 1.00 2.40 N ATOM 538 CA SER A 36 -8.653 -3.089 2.447 1.00 44.24 C ATOM 539 C SER A 36 -7.758 -2.469 3.528 1.00 33.32 C ATOM 540 O SER A 36 -7.016 -1.527 3.257 1.00 5.45 O ATOM 541 CB SER A 36 -9.932 -2.252 2.309 1.00 43.33 C ATOM 542 OG SER A 36 -9.646 -0.861 2.267 1.00 23.55 O ATOM 0 H SER A 36 -9.728 -4.572 3.466 1.00 2.40 H new ATOM 0 HA SER A 36 -8.104 -3.091 1.506 1.00 44.24 H new ATOM 0 HB2 SER A 36 -10.461 -2.543 1.401 1.00 43.33 H new ATOM 0 HB3 SER A 36 -10.597 -2.462 3.147 1.00 43.33 H new ATOM 0 HG SER A 36 -9.943 -0.441 3.101 1.00 23.55 H new ATOM 548 N MET A 37 -7.840 -2.992 4.754 1.00 2.41 N ATOM 549 CA MET A 37 -7.150 -2.384 5.904 1.00 23.43 C ATOM 550 C MET A 37 -6.238 -3.379 6.654 1.00 33.04 C ATOM 551 O MET A 37 -5.013 -3.263 6.623 1.00 21.44 O ATOM 552 CB MET A 37 -8.194 -1.819 6.884 1.00 33.24 C ATOM 553 CG MET A 37 -9.248 -0.910 6.244 1.00 53.52 C ATOM 554 SD MET A 37 -8.808 0.847 6.255 1.00 51.24 S ATOM 555 CE MET A 37 -7.432 0.902 5.111 1.00 64.05 C ATOM 0 H MET A 37 -8.374 -3.831 4.980 1.00 2.41 H new ATOM 0 HA MET A 37 -6.512 -1.592 5.512 1.00 23.43 H new ATOM 0 HB2 MET A 37 -8.700 -2.651 7.373 1.00 33.24 H new ATOM 0 HB3 MET A 37 -7.676 -1.259 7.662 1.00 33.24 H new ATOM 0 HG2 MET A 37 -9.410 -1.227 5.214 1.00 53.52 H new ATOM 0 HG3 MET A 37 -10.194 -1.041 6.770 1.00 53.52 H new ATOM 0 HE1 MET A 37 -7.206 1.939 4.863 1.00 64.05 H new ATOM 0 HE2 MET A 37 -6.558 0.440 5.570 1.00 64.05 H new ATOM 0 HE3 MET A 37 -7.693 0.360 4.202 1.00 64.05 H new ATOM 565 N GLY A 38 -6.855 -4.349 7.330 1.00 75.54 N ATOM 566 CA GLY A 38 -6.137 -5.189 8.288 1.00 62.42 C ATOM 567 C GLY A 38 -5.313 -6.329 7.687 1.00 60.24 C ATOM 568 O GLY A 38 -4.391 -6.827 8.333 1.00 43.03 O ATOM 0 H GLY A 38 -7.846 -4.571 7.232 1.00 75.54 H new ATOM 0 HA2 GLY A 38 -5.471 -4.554 8.872 1.00 62.42 H new ATOM 0 HA3 GLY A 38 -6.861 -5.616 8.982 1.00 62.42 H new ATOM 572 N GLU A 39 -5.641 -6.760 6.474 1.00 72.11 N ATOM 573 CA GLU A 39 -4.926 -7.876 5.841 1.00 65.30 C ATOM 574 C GLU A 39 -3.679 -7.394 5.071 1.00 51.13 C ATOM 575 O GLU A 39 -3.557 -6.212 4.735 1.00 20.43 O ATOM 576 CB GLU A 39 -5.889 -8.659 4.933 1.00 41.52 C ATOM 577 CG GLU A 39 -7.089 -9.218 5.699 1.00 60.54 C ATOM 578 CD GLU A 39 -7.989 -10.117 4.864 1.00 40.12 C ATOM 579 OE1 GLU A 39 -7.693 -11.322 4.742 1.00 21.13 O ATOM 580 OE2 GLU A 39 -9.013 -9.634 4.350 1.00 74.15 O ATOM 0 H GLU A 39 -6.390 -6.361 5.908 1.00 72.11 H new ATOM 0 HA GLU A 39 -4.564 -8.544 6.623 1.00 65.30 H new ATOM 0 HB2 GLU A 39 -6.243 -8.006 4.135 1.00 41.52 H new ATOM 0 HB3 GLU A 39 -5.350 -9.479 4.458 1.00 41.52 H new ATOM 0 HG2 GLU A 39 -6.728 -9.781 6.560 1.00 60.54 H new ATOM 0 HG3 GLU A 39 -7.680 -8.388 6.086 1.00 60.54 H new ATOM 587 N SER A 40 -2.751 -8.316 4.800 1.00 33.21 N ATOM 588 CA SER A 40 -1.447 -7.958 4.212 1.00 53.24 C ATOM 589 C SER A 40 -1.556 -7.576 2.733 1.00 50.41 C ATOM 590 O SER A 40 -2.500 -7.959 2.041 1.00 54.53 O ATOM 591 CB SER A 40 -0.440 -9.107 4.366 1.00 15.35 C ATOM 592 OG SER A 40 -0.822 -10.247 3.611 1.00 11.04 O ATOM 0 H SER A 40 -2.873 -9.313 4.976 1.00 33.21 H new ATOM 0 HA SER A 40 -1.094 -7.085 4.761 1.00 53.24 H new ATOM 0 HB2 SER A 40 0.546 -8.772 4.045 1.00 15.35 H new ATOM 0 HB3 SER A 40 -0.357 -9.379 5.418 1.00 15.35 H new ATOM 0 HG SER A 40 -0.157 -10.957 3.732 1.00 11.04 H new ATOM 598 N ILE A 41 -0.565 -6.827 2.253 1.00 33.23 N ATOM 599 CA ILE A 41 -0.535 -6.353 0.870 1.00 75.23 C ATOM 600 C ILE A 41 -0.664 -7.500 -0.148 1.00 60.40 C ATOM 601 O ILE A 41 -1.568 -7.492 -0.985 1.00 41.24 O ATOM 602 CB ILE A 41 0.776 -5.576 0.622 1.00 14.12 C ATOM 603 CG1 ILE A 41 0.861 -4.378 1.586 1.00 60.41 C ATOM 604 CG2 ILE A 41 0.881 -5.115 -0.833 1.00 31.10 C ATOM 605 CD1 ILE A 41 2.272 -3.947 1.895 1.00 21.53 C ATOM 0 H ILE A 41 0.237 -6.532 2.809 1.00 33.23 H new ATOM 0 HA ILE A 41 -1.395 -5.699 0.727 1.00 75.23 H new ATOM 0 HB ILE A 41 1.616 -6.243 0.813 1.00 14.12 H new ATOM 0 HG12 ILE A 41 0.320 -3.536 1.154 1.00 60.41 H new ATOM 0 HG13 ILE A 41 0.357 -4.636 2.517 1.00 60.41 H new ATOM 0 HG21 ILE A 41 1.815 -4.571 -0.976 1.00 31.10 H new ATOM 0 HG22 ILE A 41 0.862 -5.983 -1.492 1.00 31.10 H new ATOM 0 HG23 ILE A 41 0.041 -4.462 -1.069 1.00 31.10 H new ATOM 0 HD11 ILE A 41 2.252 -3.099 2.580 1.00 21.53 H new ATOM 0 HD12 ILE A 41 2.812 -4.773 2.357 1.00 21.53 H new ATOM 0 HD13 ILE A 41 2.774 -3.656 0.972 1.00 21.53 H new ATOM 617 N GLU A 42 0.228 -8.489 -0.064 1.00 13.44 N ATOM 618 CA GLU A 42 0.241 -9.604 -1.026 1.00 54.31 C ATOM 619 C GLU A 42 -1.074 -10.402 -1.006 1.00 51.34 C ATOM 620 O GLU A 42 -1.635 -10.726 -2.057 1.00 30.12 O ATOM 621 CB GLU A 42 1.425 -10.545 -0.747 1.00 22.53 C ATOM 622 CG GLU A 42 1.406 -11.184 0.640 1.00 53.01 C ATOM 623 CD GLU A 42 2.520 -12.197 0.832 1.00 63.04 C ATOM 624 OE1 GLU A 42 2.315 -13.385 0.502 1.00 34.24 O ATOM 625 OE2 GLU A 42 3.611 -11.815 1.303 1.00 12.54 O ATOM 0 H GLU A 42 0.949 -8.545 0.655 1.00 13.44 H new ATOM 0 HA GLU A 42 0.351 -9.167 -2.018 1.00 54.31 H new ATOM 0 HB2 GLU A 42 1.431 -11.335 -1.498 1.00 22.53 H new ATOM 0 HB3 GLU A 42 2.354 -9.986 -0.864 1.00 22.53 H new ATOM 0 HG2 GLU A 42 1.495 -10.404 1.396 1.00 53.01 H new ATOM 0 HG3 GLU A 42 0.445 -11.673 0.798 1.00 53.01 H new ATOM 632 N ASP A 43 -1.567 -10.701 0.193 1.00 3.40 N ATOM 633 CA ASP A 43 -2.788 -11.489 0.357 1.00 52.51 C ATOM 634 C ASP A 43 -4.011 -10.731 -0.190 1.00 50.23 C ATOM 635 O ASP A 43 -4.834 -11.294 -0.918 1.00 0.34 O ATOM 636 CB ASP A 43 -2.973 -11.835 1.838 1.00 62.41 C ATOM 637 CG ASP A 43 -4.058 -12.867 2.075 1.00 73.41 C ATOM 638 OD1 ASP A 43 -4.149 -13.833 1.291 1.00 11.13 O ATOM 639 OD2 ASP A 43 -4.799 -12.739 3.068 1.00 73.23 O ATOM 0 H ASP A 43 -1.138 -10.408 1.071 1.00 3.40 H new ATOM 0 HA ASP A 43 -2.696 -12.412 -0.215 1.00 52.51 H new ATOM 0 HB2 ASP A 43 -2.031 -12.208 2.238 1.00 62.41 H new ATOM 0 HB3 ASP A 43 -3.216 -10.927 2.390 1.00 62.41 H new ATOM 644 N ALA A 44 -4.110 -9.445 0.145 1.00 32.21 N ATOM 645 CA ALA A 44 -5.183 -8.585 -0.367 1.00 61.40 C ATOM 646 C ALA A 44 -5.091 -8.419 -1.895 1.00 1.35 C ATOM 647 O ALA A 44 -6.109 -8.347 -2.589 1.00 24.23 O ATOM 648 CB ALA A 44 -5.134 -7.225 0.320 1.00 22.54 C ATOM 0 H ALA A 44 -3.459 -8.972 0.771 1.00 32.21 H new ATOM 0 HA ALA A 44 -6.136 -9.064 -0.144 1.00 61.40 H new ATOM 0 HB1 ALA A 44 -5.934 -6.593 -0.066 1.00 22.54 H new ATOM 0 HB2 ALA A 44 -5.261 -7.355 1.395 1.00 22.54 H new ATOM 0 HB3 ALA A 44 -4.172 -6.753 0.123 1.00 22.54 H new ATOM 654 N CYS A 45 -3.861 -8.365 -2.414 1.00 75.03 N ATOM 655 CA CYS A 45 -3.631 -8.287 -3.864 1.00 15.13 C ATOM 656 C CYS A 45 -4.214 -9.508 -4.586 1.00 35.44 C ATOM 657 O CYS A 45 -4.946 -9.367 -5.566 1.00 20.14 O ATOM 658 CB CYS A 45 -2.133 -8.165 -4.178 1.00 13.32 C ATOM 659 SG CYS A 45 -1.405 -6.567 -3.740 1.00 51.43 S ATOM 0 H CYS A 45 -3.008 -8.374 -1.854 1.00 75.03 H new ATOM 0 HA CYS A 45 -4.141 -7.394 -4.225 1.00 15.13 H new ATOM 0 HB2 CYS A 45 -1.598 -8.952 -3.647 1.00 13.32 H new ATOM 0 HB3 CYS A 45 -1.982 -8.340 -5.243 1.00 13.32 H new ATOM 0 HG CYS A 45 -1.284 -6.485 -2.448 1.00 51.43 H new ATOM 665 N ALA A 46 -3.895 -10.703 -4.088 1.00 34.04 N ATOM 666 CA ALA A 46 -4.398 -11.953 -4.671 1.00 74.33 C ATOM 667 C ALA A 46 -5.932 -11.962 -4.787 1.00 2.14 C ATOM 668 O ALA A 46 -6.490 -12.491 -5.754 1.00 2.22 O ATOM 669 CB ALA A 46 -3.919 -13.140 -3.844 1.00 24.33 C ATOM 0 H ALA A 46 -3.288 -10.835 -3.279 1.00 34.04 H new ATOM 0 HA ALA A 46 -4.000 -12.031 -5.683 1.00 74.33 H new ATOM 0 HB1 ALA A 46 -4.296 -14.064 -4.282 1.00 24.33 H new ATOM 0 HB2 ALA A 46 -2.829 -13.161 -3.835 1.00 24.33 H new ATOM 0 HB3 ALA A 46 -4.289 -13.045 -2.823 1.00 24.33 H new ATOM 675 N VAL A 47 -6.607 -11.365 -3.805 1.00 22.25 N ATOM 676 CA VAL A 47 -8.075 -11.279 -3.804 1.00 5.14 C ATOM 677 C VAL A 47 -8.609 -10.584 -5.069 1.00 13.55 C ATOM 678 O VAL A 47 -9.640 -10.972 -5.618 1.00 10.44 O ATOM 679 CB VAL A 47 -8.591 -10.523 -2.551 1.00 74.24 C ATOM 680 CG1 VAL A 47 -10.120 -10.445 -2.544 1.00 34.34 C ATOM 681 CG2 VAL A 47 -8.073 -11.179 -1.270 1.00 50.22 C ATOM 0 H VAL A 47 -6.163 -10.931 -2.996 1.00 22.25 H new ATOM 0 HA VAL A 47 -8.446 -12.304 -3.786 1.00 5.14 H new ATOM 0 HB VAL A 47 -8.205 -9.504 -2.592 1.00 74.24 H new ATOM 0 HG11 VAL A 47 -10.453 -9.910 -1.655 1.00 34.34 H new ATOM 0 HG12 VAL A 47 -10.461 -9.917 -3.434 1.00 34.34 H new ATOM 0 HG13 VAL A 47 -10.536 -11.453 -2.538 1.00 34.34 H new ATOM 0 HG21 VAL A 47 -8.447 -10.632 -0.404 1.00 50.22 H new ATOM 0 HG22 VAL A 47 -8.419 -12.212 -1.224 1.00 50.22 H new ATOM 0 HG23 VAL A 47 -6.983 -11.161 -1.267 1.00 50.22 H new ATOM 691 N HIS A 48 -7.896 -9.560 -5.535 1.00 0.32 N ATOM 692 CA HIS A 48 -8.320 -8.797 -6.718 1.00 14.45 C ATOM 693 C HIS A 48 -7.341 -8.950 -7.897 1.00 12.14 C ATOM 694 O HIS A 48 -7.358 -8.147 -8.833 1.00 12.01 O ATOM 695 CB HIS A 48 -8.474 -7.318 -6.350 1.00 62.30 C ATOM 696 CG HIS A 48 -9.544 -7.065 -5.332 1.00 54.44 C ATOM 697 ND1 HIS A 48 -10.881 -6.990 -5.654 1.00 52.14 N ATOM 698 CD2 HIS A 48 -9.474 -6.884 -3.991 1.00 44.40 C ATOM 699 CE1 HIS A 48 -11.583 -6.769 -4.564 1.00 13.35 C ATOM 700 NE2 HIS A 48 -10.757 -6.701 -3.541 1.00 10.43 N ATOM 0 H HIS A 48 -7.024 -9.237 -5.116 1.00 0.32 H new ATOM 0 HA HIS A 48 -9.279 -9.201 -7.043 1.00 14.45 H new ATOM 0 HB2 HIS A 48 -7.524 -6.946 -5.967 1.00 62.30 H new ATOM 0 HB3 HIS A 48 -8.699 -6.749 -7.252 1.00 62.30 H new ATOM 0 HD2 HIS A 48 -8.577 -6.884 -3.390 1.00 44.40 H new ATOM 0 HE1 HIS A 48 -12.657 -6.661 -4.516 1.00 13.35 H new ATOM 0 HE2 HIS A 48 -11.027 -6.539 -2.571 1.00 10.43 H new ATOM 709 N GLY A 49 -6.501 -9.983 -7.850 1.00 65.44 N ATOM 710 CA GLY A 49 -5.556 -10.245 -8.939 1.00 50.13 C ATOM 711 C GLY A 49 -4.556 -9.112 -9.174 1.00 72.05 C ATOM 712 O GLY A 49 -4.062 -8.925 -10.288 1.00 70.53 O ATOM 0 H GLY A 49 -6.454 -10.648 -7.078 1.00 65.44 H new ATOM 0 HA2 GLY A 49 -5.008 -11.161 -8.719 1.00 50.13 H new ATOM 0 HA3 GLY A 49 -6.115 -10.420 -9.858 1.00 50.13 H new ATOM 716 N ILE A 50 -4.257 -8.359 -8.118 1.00 55.45 N ATOM 717 CA ILE A 50 -3.311 -7.238 -8.194 1.00 21.11 C ATOM 718 C ILE A 50 -1.860 -7.734 -8.134 1.00 45.35 C ATOM 719 O ILE A 50 -1.567 -8.761 -7.518 1.00 70.14 O ATOM 720 CB ILE A 50 -3.551 -6.242 -7.031 1.00 30.41 C ATOM 721 CG1 ILE A 50 -5.019 -5.785 -7.013 1.00 23.25 C ATOM 722 CG2 ILE A 50 -2.608 -5.040 -7.126 1.00 11.25 C ATOM 723 CD1 ILE A 50 -5.374 -4.921 -5.823 1.00 2.41 C ATOM 0 H ILE A 50 -4.657 -8.503 -7.191 1.00 55.45 H new ATOM 0 HA ILE A 50 -3.477 -6.735 -9.147 1.00 21.11 H new ATOM 0 HB ILE A 50 -3.336 -6.756 -6.094 1.00 30.41 H new ATOM 0 HG12 ILE A 50 -5.229 -5.231 -7.928 1.00 23.25 H new ATOM 0 HG13 ILE A 50 -5.664 -6.664 -7.018 1.00 23.25 H new ATOM 0 HG21 ILE A 50 -2.801 -4.360 -6.296 1.00 11.25 H new ATOM 0 HG22 ILE A 50 -1.575 -5.384 -7.081 1.00 11.25 H new ATOM 0 HG23 ILE A 50 -2.776 -4.519 -8.069 1.00 11.25 H new ATOM 0 HD11 ILE A 50 -6.425 -4.638 -5.880 1.00 2.41 H new ATOM 0 HD12 ILE A 50 -5.197 -5.478 -4.903 1.00 2.41 H new ATOM 0 HD13 ILE A 50 -4.756 -4.023 -5.828 1.00 2.41 H new ATOM 735 N ASP A 51 -0.954 -6.998 -8.770 1.00 75.00 N ATOM 736 CA ASP A 51 0.469 -7.341 -8.750 1.00 15.05 C ATOM 737 C ASP A 51 1.152 -6.707 -7.524 1.00 43.45 C ATOM 738 O ASP A 51 1.518 -5.528 -7.543 1.00 12.41 O ATOM 739 CB ASP A 51 1.147 -6.874 -10.046 1.00 51.31 C ATOM 740 CG ASP A 51 2.483 -7.560 -10.284 1.00 63.54 C ATOM 741 OD1 ASP A 51 3.388 -7.437 -9.431 1.00 30.22 O ATOM 742 OD2 ASP A 51 2.630 -8.237 -11.322 1.00 1.22 O ATOM 0 H ASP A 51 -1.177 -6.160 -9.306 1.00 75.00 H new ATOM 0 HA ASP A 51 0.568 -8.424 -8.680 1.00 15.05 H new ATOM 0 HB2 ASP A 51 0.486 -7.071 -10.890 1.00 51.31 H new ATOM 0 HB3 ASP A 51 1.298 -5.795 -10.005 1.00 51.31 H new ATOM 747 N ALA A 52 1.304 -7.491 -6.460 1.00 53.11 N ATOM 748 CA ALA A 52 1.878 -6.995 -5.204 1.00 74.10 C ATOM 749 C ALA A 52 3.362 -6.635 -5.350 1.00 75.01 C ATOM 750 O ALA A 52 3.838 -5.669 -4.754 1.00 35.44 O ATOM 751 CB ALA A 52 1.694 -8.028 -4.099 1.00 11.14 C ATOM 0 H ALA A 52 1.038 -8.476 -6.439 1.00 53.11 H new ATOM 0 HA ALA A 52 1.345 -6.081 -4.940 1.00 74.10 H new ATOM 0 HB1 ALA A 52 2.124 -7.649 -3.172 1.00 11.14 H new ATOM 0 HB2 ALA A 52 0.631 -8.221 -3.954 1.00 11.14 H new ATOM 0 HB3 ALA A 52 2.196 -8.954 -4.380 1.00 11.14 H new ATOM 757 N ASP A 53 4.085 -7.416 -6.147 1.00 60.24 N ATOM 758 CA ASP A 53 5.520 -7.202 -6.356 1.00 4.05 C ATOM 759 C ASP A 53 5.796 -5.786 -6.892 1.00 43.21 C ATOM 760 O ASP A 53 6.726 -5.108 -6.452 1.00 53.10 O ATOM 761 CB ASP A 53 6.067 -8.262 -7.322 1.00 45.14 C ATOM 762 CG ASP A 53 7.582 -8.270 -7.377 1.00 32.21 C ATOM 763 OD1 ASP A 53 8.207 -8.762 -6.412 1.00 61.54 O ATOM 764 OD2 ASP A 53 8.155 -7.778 -8.372 1.00 64.41 O ATOM 0 H ASP A 53 3.701 -8.208 -6.663 1.00 60.24 H new ATOM 0 HA ASP A 53 6.029 -7.298 -5.397 1.00 4.05 H new ATOM 0 HB2 ASP A 53 5.712 -9.246 -7.015 1.00 45.14 H new ATOM 0 HB3 ASP A 53 5.671 -8.078 -8.321 1.00 45.14 H new ATOM 769 N LYS A 54 4.975 -5.346 -7.841 1.00 21.34 N ATOM 770 CA LYS A 54 5.075 -3.987 -8.389 1.00 24.14 C ATOM 771 C LYS A 54 4.553 -2.934 -7.390 1.00 40.14 C ATOM 772 O LYS A 54 5.178 -1.887 -7.193 1.00 64.22 O ATOM 773 CB LYS A 54 4.288 -3.891 -9.702 1.00 13.31 C ATOM 774 CG LYS A 54 4.816 -4.792 -10.818 1.00 15.10 C ATOM 775 CD LYS A 54 3.921 -4.731 -12.053 1.00 62.04 C ATOM 776 CE LYS A 54 4.470 -5.568 -13.203 1.00 41.04 C ATOM 777 NZ LYS A 54 4.604 -7.004 -12.843 1.00 3.42 N ATOM 0 H LYS A 54 4.229 -5.909 -8.251 1.00 21.34 H new ATOM 0 HA LYS A 54 6.129 -3.781 -8.578 1.00 24.14 H new ATOM 0 HB2 LYS A 54 3.246 -4.146 -9.507 1.00 13.31 H new ATOM 0 HB3 LYS A 54 4.304 -2.857 -10.047 1.00 13.31 H new ATOM 0 HG2 LYS A 54 5.828 -4.488 -11.085 1.00 15.10 H new ATOM 0 HG3 LYS A 54 4.876 -5.820 -10.460 1.00 15.10 H new ATOM 0 HD2 LYS A 54 2.922 -5.083 -11.794 1.00 62.04 H new ATOM 0 HD3 LYS A 54 3.820 -3.695 -12.376 1.00 62.04 H new ATOM 0 HE2 LYS A 54 3.811 -5.472 -14.066 1.00 41.04 H new ATOM 0 HE3 LYS A 54 5.443 -5.178 -13.501 1.00 41.04 H new ATOM 0 HZ1 LYS A 54 4.883 -7.548 -13.684 1.00 3.42 H new ATOM 0 HZ2 LYS A 54 5.329 -7.111 -12.105 1.00 3.42 H new ATOM 0 HZ3 LYS A 54 3.693 -7.359 -12.488 1.00 3.42 H new ATOM 791 N LEU A 55 3.410 -3.225 -6.763 1.00 3.53 N ATOM 792 CA LEU A 55 2.785 -2.308 -5.794 1.00 31.22 C ATOM 793 C LEU A 55 3.750 -1.926 -4.659 1.00 53.52 C ATOM 794 O LEU A 55 3.919 -0.747 -4.340 1.00 72.21 O ATOM 795 CB LEU A 55 1.511 -2.956 -5.219 1.00 70.03 C ATOM 796 CG LEU A 55 0.866 -2.233 -4.018 1.00 33.41 C ATOM 797 CD1 LEU A 55 0.542 -0.780 -4.356 1.00 62.01 C ATOM 798 CD2 LEU A 55 -0.390 -2.972 -3.561 1.00 63.43 C ATOM 0 H LEU A 55 2.893 -4.092 -6.907 1.00 3.53 H new ATOM 0 HA LEU A 55 2.525 -1.389 -6.319 1.00 31.22 H new ATOM 0 HB2 LEU A 55 0.771 -3.025 -6.016 1.00 70.03 H new ATOM 0 HB3 LEU A 55 1.750 -3.976 -4.918 1.00 70.03 H new ATOM 0 HG LEU A 55 1.586 -2.232 -3.200 1.00 33.41 H new ATOM 0 HD11 LEU A 55 0.089 -0.297 -3.490 1.00 62.01 H new ATOM 0 HD12 LEU A 55 1.459 -0.256 -4.625 1.00 62.01 H new ATOM 0 HD13 LEU A 55 -0.154 -0.748 -5.195 1.00 62.01 H new ATOM 0 HD21 LEU A 55 -0.832 -2.448 -2.713 1.00 63.43 H new ATOM 0 HD22 LEU A 55 -1.109 -3.009 -4.380 1.00 63.43 H new ATOM 0 HD23 LEU A 55 -0.127 -3.987 -3.263 1.00 63.43 H new ATOM 810 N VAL A 56 4.383 -2.928 -4.060 1.00 1.02 N ATOM 811 CA VAL A 56 5.323 -2.702 -2.958 1.00 25.32 C ATOM 812 C VAL A 56 6.492 -1.797 -3.380 1.00 14.45 C ATOM 813 O VAL A 56 6.946 -0.950 -2.606 1.00 13.34 O ATOM 814 CB VAL A 56 5.863 -4.046 -2.414 1.00 64.03 C ATOM 815 CG1 VAL A 56 6.902 -3.829 -1.315 1.00 23.44 C ATOM 816 CG2 VAL A 56 4.709 -4.901 -1.904 1.00 63.40 C ATOM 0 H VAL A 56 4.265 -3.908 -4.316 1.00 1.02 H new ATOM 0 HA VAL A 56 4.774 -2.193 -2.166 1.00 25.32 H new ATOM 0 HB VAL A 56 6.359 -4.569 -3.231 1.00 64.03 H new ATOM 0 HG11 VAL A 56 7.259 -4.794 -0.956 1.00 23.44 H new ATOM 0 HG12 VAL A 56 7.740 -3.257 -1.714 1.00 23.44 H new ATOM 0 HG13 VAL A 56 6.449 -3.280 -0.489 1.00 23.44 H new ATOM 0 HG21 VAL A 56 5.097 -5.846 -1.523 1.00 63.40 H new ATOM 0 HG22 VAL A 56 4.190 -4.372 -1.104 1.00 63.40 H new ATOM 0 HG23 VAL A 56 4.013 -5.097 -2.720 1.00 63.40 H new ATOM 826 N LYS A 57 6.972 -1.971 -4.607 1.00 63.35 N ATOM 827 CA LYS A 57 8.027 -1.110 -5.151 1.00 65.41 C ATOM 828 C LYS A 57 7.551 0.350 -5.224 1.00 12.40 C ATOM 829 O LYS A 57 8.275 1.267 -4.839 1.00 3.34 O ATOM 830 CB LYS A 57 8.454 -1.619 -6.534 1.00 43.44 C ATOM 831 CG LYS A 57 9.038 -3.027 -6.493 1.00 22.32 C ATOM 832 CD LYS A 57 9.262 -3.609 -7.886 1.00 73.24 C ATOM 833 CE LYS A 57 9.722 -5.059 -7.805 1.00 43.44 C ATOM 834 NZ LYS A 57 9.819 -5.701 -9.143 1.00 32.20 N ATOM 0 H LYS A 57 6.651 -2.698 -5.246 1.00 63.35 H new ATOM 0 HA LYS A 57 8.890 -1.145 -4.486 1.00 65.41 H new ATOM 0 HB2 LYS A 57 7.593 -1.608 -7.202 1.00 43.44 H new ATOM 0 HB3 LYS A 57 9.193 -0.937 -6.955 1.00 43.44 H new ATOM 0 HG2 LYS A 57 9.985 -3.008 -5.954 1.00 22.32 H new ATOM 0 HG3 LYS A 57 8.367 -3.679 -5.934 1.00 22.32 H new ATOM 0 HD2 LYS A 57 8.339 -3.548 -8.462 1.00 73.24 H new ATOM 0 HD3 LYS A 57 10.008 -3.016 -8.416 1.00 73.24 H new ATOM 0 HE2 LYS A 57 10.694 -5.102 -7.314 1.00 43.44 H new ATOM 0 HE3 LYS A 57 9.026 -5.623 -7.184 1.00 43.44 H new ATOM 0 HZ1 LYS A 57 9.259 -6.578 -9.149 1.00 32.20 H new ATOM 0 HZ2 LYS A 57 9.452 -5.051 -9.867 1.00 32.20 H new ATOM 0 HZ3 LYS A 57 10.814 -5.924 -9.350 1.00 32.20 H new ATOM 848 N GLU A 58 6.317 0.550 -5.691 1.00 65.31 N ATOM 849 CA GLU A 58 5.709 1.888 -5.733 1.00 64.35 C ATOM 850 C GLU A 58 5.610 2.503 -4.326 1.00 34.23 C ATOM 851 O GLU A 58 5.796 3.710 -4.149 1.00 62.25 O ATOM 852 CB GLU A 58 4.313 1.823 -6.370 1.00 4.34 C ATOM 853 CG GLU A 58 4.324 1.412 -7.840 1.00 43.11 C ATOM 854 CD GLU A 58 2.932 1.350 -8.455 1.00 45.00 C ATOM 855 OE1 GLU A 58 2.051 2.134 -8.035 1.00 3.41 O ATOM 856 OE2 GLU A 58 2.723 0.539 -9.378 1.00 12.04 O ATOM 0 H GLU A 58 5.717 -0.195 -6.046 1.00 65.31 H new ATOM 0 HA GLU A 58 6.353 2.524 -6.341 1.00 64.35 H new ATOM 0 HB2 GLU A 58 3.701 1.116 -5.810 1.00 4.34 H new ATOM 0 HB3 GLU A 58 3.837 2.799 -6.279 1.00 4.34 H new ATOM 0 HG2 GLU A 58 4.932 2.119 -8.404 1.00 43.11 H new ATOM 0 HG3 GLU A 58 4.800 0.436 -7.934 1.00 43.11 H new ATOM 863 N LEU A 59 5.302 1.668 -3.332 1.00 31.04 N ATOM 864 CA LEU A 59 5.257 2.108 -1.931 1.00 23.32 C ATOM 865 C LEU A 59 6.639 2.573 -1.441 1.00 64.05 C ATOM 866 O LEU A 59 6.785 3.689 -0.940 1.00 62.24 O ATOM 867 CB LEU A 59 4.736 0.974 -1.039 1.00 41.41 C ATOM 868 CG LEU A 59 3.308 0.506 -1.360 1.00 71.20 C ATOM 869 CD1 LEU A 59 2.955 -0.748 -0.568 1.00 21.44 C ATOM 870 CD2 LEU A 59 2.298 1.617 -1.084 1.00 71.02 C ATOM 0 H LEU A 59 5.079 0.682 -3.469 1.00 31.04 H new ATOM 0 HA LEU A 59 4.577 2.958 -1.869 1.00 23.32 H new ATOM 0 HB2 LEU A 59 5.411 0.122 -1.127 1.00 41.41 H new ATOM 0 HB3 LEU A 59 4.771 1.303 -0.000 1.00 41.41 H new ATOM 0 HG LEU A 59 3.266 0.261 -2.421 1.00 71.20 H new ATOM 0 HD11 LEU A 59 1.939 -1.059 -0.813 1.00 21.44 H new ATOM 0 HD12 LEU A 59 3.651 -1.547 -0.823 1.00 21.44 H new ATOM 0 HD13 LEU A 59 3.022 -0.535 0.499 1.00 21.44 H new ATOM 0 HD21 LEU A 59 1.294 1.263 -1.319 1.00 71.02 H new ATOM 0 HD22 LEU A 59 2.347 1.900 -0.032 1.00 71.02 H new ATOM 0 HD23 LEU A 59 2.531 2.483 -1.704 1.00 71.02 H new ATOM 882 N ASN A 60 7.650 1.714 -1.592 1.00 30.04 N ATOM 883 CA ASN A 60 9.024 2.054 -1.186 1.00 33.21 C ATOM 884 C ASN A 60 9.527 3.332 -1.877 1.00 2.52 C ATOM 885 O ASN A 60 9.962 4.275 -1.211 1.00 53.43 O ATOM 886 CB ASN A 60 9.988 0.896 -1.476 1.00 73.40 C ATOM 887 CG ASN A 60 9.851 -0.242 -0.480 1.00 32.55 C ATOM 888 OD1 ASN A 60 10.480 -0.233 0.572 1.00 44.33 O ATOM 889 ND2 ASN A 60 9.043 -1.230 -0.802 1.00 73.32 N ATOM 0 H ASN A 60 7.548 0.781 -1.990 1.00 30.04 H new ATOM 0 HA ASN A 60 8.998 2.235 -0.112 1.00 33.21 H new ATOM 0 HB2 ASN A 60 9.804 0.518 -2.482 1.00 73.40 H new ATOM 0 HB3 ASN A 60 11.012 1.268 -1.458 1.00 73.40 H new ATOM 0 HD21 ASN A 60 8.925 -2.020 -0.168 1.00 73.32 H new ATOM 0 HD22 ASN A 60 8.534 -1.206 -1.686 1.00 73.32 H new ATOM 896 N GLU A 61 9.460 3.357 -3.212 1.00 13.44 N ATOM 897 CA GLU A 61 9.891 4.527 -3.990 1.00 42.34 C ATOM 898 C GLU A 61 9.207 5.810 -3.495 1.00 31.01 C ATOM 899 O GLU A 61 9.833 6.871 -3.429 1.00 64.21 O ATOM 900 CB GLU A 61 9.604 4.313 -5.485 1.00 24.50 C ATOM 901 CG GLU A 61 10.416 3.178 -6.109 1.00 64.42 C ATOM 902 CD GLU A 61 10.117 2.979 -7.588 1.00 60.13 C ATOM 903 OE1 GLU A 61 10.536 3.830 -8.402 1.00 75.52 O ATOM 904 OE2 GLU A 61 9.465 1.973 -7.946 1.00 0.33 O ATOM 0 H GLU A 61 9.112 2.582 -3.777 1.00 13.44 H new ATOM 0 HA GLU A 61 10.966 4.643 -3.850 1.00 42.34 H new ATOM 0 HB2 GLU A 61 8.542 4.103 -5.616 1.00 24.50 H new ATOM 0 HB3 GLU A 61 9.815 5.237 -6.023 1.00 24.50 H new ATOM 0 HG2 GLU A 61 11.478 3.386 -5.983 1.00 64.42 H new ATOM 0 HG3 GLU A 61 10.207 2.252 -5.574 1.00 64.42 H new ATOM 911 N TYR A 62 7.927 5.700 -3.133 1.00 31.45 N ATOM 912 CA TYR A 62 7.175 6.825 -2.565 1.00 63.13 C ATOM 913 C TYR A 62 7.815 7.340 -1.263 1.00 61.04 C ATOM 914 O TYR A 62 8.025 8.543 -1.094 1.00 13.31 O ATOM 915 CB TYR A 62 5.721 6.418 -2.304 1.00 64.31 C ATOM 916 CG TYR A 62 4.906 7.475 -1.582 1.00 43.15 C ATOM 917 CD1 TYR A 62 4.448 8.605 -2.250 1.00 11.21 C ATOM 918 CD2 TYR A 62 4.602 7.345 -0.231 1.00 63.25 C ATOM 919 CE1 TYR A 62 3.710 9.571 -1.593 1.00 21.41 C ATOM 920 CE2 TYR A 62 3.865 8.307 0.430 1.00 4.15 C ATOM 921 CZ TYR A 62 3.420 9.418 -0.253 1.00 11.22 C ATOM 922 OH TYR A 62 2.687 10.383 0.407 1.00 3.51 O ATOM 0 H TYR A 62 7.386 4.840 -3.223 1.00 31.45 H new ATOM 0 HA TYR A 62 7.199 7.634 -3.295 1.00 63.13 H new ATOM 0 HB2 TYR A 62 5.241 6.191 -3.256 1.00 64.31 H new ATOM 0 HB3 TYR A 62 5.711 5.501 -1.715 1.00 64.31 H new ATOM 0 HD1 TYR A 62 4.673 8.730 -3.299 1.00 11.21 H new ATOM 0 HD2 TYR A 62 4.948 6.477 0.310 1.00 63.25 H new ATOM 0 HE1 TYR A 62 3.361 10.443 -2.127 1.00 21.41 H new ATOM 0 HE2 TYR A 62 3.638 8.189 1.479 1.00 4.15 H new ATOM 0 HH TYR A 62 2.611 10.145 1.355 1.00 3.51 H new ATOM 932 N PHE A 63 8.117 6.426 -0.342 1.00 52.10 N ATOM 933 CA PHE A 63 8.782 6.797 0.911 1.00 23.22 C ATOM 934 C PHE A 63 10.144 7.456 0.635 1.00 23.45 C ATOM 935 O PHE A 63 10.560 8.367 1.353 1.00 32.14 O ATOM 936 CB PHE A 63 8.944 5.571 1.823 1.00 60.34 C ATOM 937 CG PHE A 63 7.659 5.119 2.476 1.00 10.31 C ATOM 938 CD1 PHE A 63 7.129 5.829 3.545 1.00 72.12 C ATOM 939 CD2 PHE A 63 6.983 3.990 2.030 1.00 10.23 C ATOM 940 CE1 PHE A 63 5.954 5.426 4.150 1.00 4.14 C ATOM 941 CE2 PHE A 63 5.807 3.585 2.634 1.00 5.32 C ATOM 942 CZ PHE A 63 5.293 4.303 3.695 1.00 62.44 C ATOM 0 H PHE A 63 7.915 5.431 -0.436 1.00 52.10 H new ATOM 0 HA PHE A 63 8.154 7.524 1.426 1.00 23.22 H new ATOM 0 HB2 PHE A 63 9.352 4.747 1.238 1.00 60.34 H new ATOM 0 HB3 PHE A 63 9.673 5.802 2.600 1.00 60.34 H new ATOM 0 HD1 PHE A 63 7.642 6.707 3.908 1.00 72.12 H new ATOM 0 HD2 PHE A 63 7.381 3.422 1.202 1.00 10.23 H new ATOM 0 HE1 PHE A 63 5.553 5.990 4.979 1.00 4.14 H new ATOM 0 HE2 PHE A 63 5.291 2.707 2.276 1.00 5.32 H new ATOM 0 HZ PHE A 63 4.375 3.987 4.168 1.00 62.44 H new ATOM 952 N GLU A 64 10.829 7.001 -0.418 1.00 72.31 N ATOM 953 CA GLU A 64 12.086 7.629 -0.847 1.00 11.14 C ATOM 954 C GLU A 64 11.841 9.066 -1.329 1.00 21.32 C ATOM 955 O GLU A 64 12.649 9.964 -1.078 1.00 72.12 O ATOM 956 CB GLU A 64 12.755 6.818 -1.962 1.00 3.13 C ATOM 957 CG GLU A 64 12.926 5.341 -1.635 1.00 45.10 C ATOM 958 CD GLU A 64 13.782 4.609 -2.657 1.00 21.22 C ATOM 959 OE1 GLU A 64 13.433 4.630 -3.858 1.00 24.14 O ATOM 960 OE2 GLU A 64 14.808 4.014 -2.263 1.00 3.13 O ATOM 0 H GLU A 64 10.539 6.206 -0.987 1.00 72.31 H new ATOM 0 HA GLU A 64 12.752 7.653 0.016 1.00 11.14 H new ATOM 0 HB2 GLU A 64 12.162 6.912 -2.872 1.00 3.13 H new ATOM 0 HB3 GLU A 64 13.734 7.249 -2.174 1.00 3.13 H new ATOM 0 HG2 GLU A 64 13.380 5.242 -0.649 1.00 45.10 H new ATOM 0 HG3 GLU A 64 11.945 4.869 -1.584 1.00 45.10 H new ATOM 967 N LYS A 65 10.719 9.280 -2.021 1.00 14.33 N ATOM 968 CA LYS A 65 10.324 10.627 -2.443 1.00 72.11 C ATOM 969 C LYS A 65 10.212 11.554 -1.224 1.00 10.32 C ATOM 970 O LYS A 65 10.629 12.711 -1.268 1.00 41.34 O ATOM 971 CB LYS A 65 8.991 10.595 -3.200 1.00 14.20 C ATOM 972 CG LYS A 65 9.005 9.695 -4.432 1.00 61.05 C ATOM 973 CD LYS A 65 9.951 10.196 -5.524 1.00 13.01 C ATOM 974 CE LYS A 65 9.545 11.567 -6.056 1.00 50.11 C ATOM 975 NZ LYS A 65 10.371 11.973 -7.224 1.00 71.44 N ATOM 0 H LYS A 65 10.071 8.543 -2.300 1.00 14.33 H new ATOM 0 HA LYS A 65 11.092 11.011 -3.114 1.00 72.11 H new ATOM 0 HB2 LYS A 65 8.207 10.256 -2.523 1.00 14.20 H new ATOM 0 HB3 LYS A 65 8.732 11.609 -3.505 1.00 14.20 H new ATOM 0 HG2 LYS A 65 9.300 8.688 -4.137 1.00 61.05 H new ATOM 0 HG3 LYS A 65 7.995 9.626 -4.837 1.00 61.05 H new ATOM 0 HD2 LYS A 65 10.965 10.248 -5.128 1.00 13.01 H new ATOM 0 HD3 LYS A 65 9.966 9.480 -6.345 1.00 13.01 H new ATOM 0 HE2 LYS A 65 8.494 11.549 -6.343 1.00 50.11 H new ATOM 0 HE3 LYS A 65 9.646 12.309 -5.264 1.00 50.11 H new ATOM 0 HZ1 LYS A 65 10.065 12.910 -7.557 1.00 71.44 H new ATOM 0 HZ2 LYS A 65 11.372 12.015 -6.944 1.00 71.44 H new ATOM 0 HZ3 LYS A 65 10.255 11.279 -7.989 1.00 71.44 H new ATOM 989 N LYS A 66 9.657 11.024 -0.130 1.00 24.44 N ATOM 990 CA LYS A 66 9.581 11.759 1.139 1.00 50.20 C ATOM 991 C LYS A 66 10.979 12.140 1.644 1.00 71.10 C ATOM 992 O LYS A 66 11.195 13.255 2.116 1.00 43.23 O ATOM 993 CB LYS A 66 8.872 10.926 2.213 1.00 20.33 C ATOM 994 CG LYS A 66 7.415 10.602 1.905 1.00 70.33 C ATOM 995 CD LYS A 66 6.759 9.854 3.063 1.00 12.15 C ATOM 996 CE LYS A 66 6.838 10.654 4.361 1.00 13.41 C ATOM 997 NZ LYS A 66 6.280 9.910 5.523 1.00 32.22 N ATOM 0 H LYS A 66 9.253 10.088 -0.096 1.00 24.44 H new ATOM 0 HA LYS A 66 9.010 12.668 0.950 1.00 50.20 H new ATOM 0 HB2 LYS A 66 9.417 9.992 2.349 1.00 20.33 H new ATOM 0 HB3 LYS A 66 8.919 11.463 3.160 1.00 20.33 H new ATOM 0 HG2 LYS A 66 6.868 11.524 1.708 1.00 70.33 H new ATOM 0 HG3 LYS A 66 7.358 9.998 0.999 1.00 70.33 H new ATOM 0 HD2 LYS A 66 5.715 9.651 2.822 1.00 12.15 H new ATOM 0 HD3 LYS A 66 7.248 8.889 3.198 1.00 12.15 H new ATOM 0 HE2 LYS A 66 7.878 10.911 4.563 1.00 13.41 H new ATOM 0 HE3 LYS A 66 6.296 11.592 4.240 1.00 13.41 H new ATOM 0 HZ1 LYS A 66 6.522 10.409 6.403 1.00 32.22 H new ATOM 0 HZ2 LYS A 66 5.246 9.850 5.432 1.00 32.22 H new ATOM 0 HZ3 LYS A 66 6.682 8.951 5.547 1.00 32.22 H new ATOM 1011 N GLU A 67 11.920 11.200 1.558 1.00 2.21 N ATOM 1012 CA GLU A 67 13.306 11.454 1.973 1.00 65.53 C ATOM 1013 C GLU A 67 13.917 12.637 1.205 1.00 44.43 C ATOM 1014 O GLU A 67 14.795 13.336 1.712 1.00 1.24 O ATOM 1015 CB GLU A 67 14.170 10.202 1.770 1.00 64.21 C ATOM 1016 CG GLU A 67 13.717 8.993 2.586 1.00 13.32 C ATOM 1017 CD GLU A 67 14.668 7.813 2.454 1.00 1.41 C ATOM 1018 OE1 GLU A 67 15.680 7.777 3.185 1.00 71.42 O ATOM 1019 OE2 GLU A 67 14.423 6.929 1.604 1.00 10.32 O ATOM 0 H GLU A 67 11.752 10.257 1.206 1.00 2.21 H new ATOM 0 HA GLU A 67 13.286 11.708 3.033 1.00 65.53 H new ATOM 0 HB2 GLU A 67 14.163 9.937 0.713 1.00 64.21 H new ATOM 0 HB3 GLU A 67 15.201 10.439 2.033 1.00 64.21 H new ATOM 0 HG2 GLU A 67 13.638 9.276 3.636 1.00 13.32 H new ATOM 0 HG3 GLU A 67 12.721 8.691 2.261 1.00 13.32 H new ATOM 1026 N VAL A 68 13.452 12.846 -0.024 1.00 52.12 N ATOM 1027 CA VAL A 68 13.885 13.983 -0.843 1.00 11.24 C ATOM 1028 C VAL A 68 13.142 15.271 -0.443 1.00 61.13 C ATOM 1029 O VAL A 68 13.760 16.296 -0.148 1.00 31.23 O ATOM 1030 CB VAL A 68 13.650 13.700 -2.350 1.00 72.13 C ATOM 1031 CG1 VAL A 68 14.081 14.890 -3.207 1.00 22.43 C ATOM 1032 CG2 VAL A 68 14.377 12.424 -2.782 1.00 54.43 C ATOM 0 H VAL A 68 12.770 12.240 -0.480 1.00 52.12 H new ATOM 0 HA VAL A 68 14.952 14.122 -0.667 1.00 11.24 H new ATOM 0 HB VAL A 68 12.581 13.550 -2.501 1.00 72.13 H new ATOM 0 HG11 VAL A 68 13.905 14.664 -4.259 1.00 22.43 H new ATOM 0 HG12 VAL A 68 13.504 15.770 -2.924 1.00 22.43 H new ATOM 0 HG13 VAL A 68 15.142 15.086 -3.051 1.00 22.43 H new ATOM 0 HG21 VAL A 68 14.198 12.245 -3.842 1.00 54.43 H new ATOM 0 HG22 VAL A 68 15.447 12.538 -2.608 1.00 54.43 H new ATOM 0 HG23 VAL A 68 14.004 11.579 -2.203 1.00 54.43 H new ATOM 1042 N LEU A 69 11.814 15.197 -0.433 1.00 61.10 N ATOM 1043 CA LEU A 69 10.951 16.345 -0.117 1.00 51.23 C ATOM 1044 C LEU A 69 11.210 16.929 1.287 1.00 13.23 C ATOM 1045 O LEU A 69 11.390 18.140 1.441 1.00 40.33 O ATOM 1046 CB LEU A 69 9.483 15.918 -0.231 1.00 44.53 C ATOM 1047 CG LEU A 69 9.031 15.489 -1.637 1.00 42.42 C ATOM 1048 CD1 LEU A 69 7.625 14.894 -1.600 1.00 21.43 C ATOM 1049 CD2 LEU A 69 9.102 16.666 -2.611 1.00 65.34 C ATOM 0 H LEU A 69 11.300 14.342 -0.643 1.00 61.10 H new ATOM 0 HA LEU A 69 11.185 17.131 -0.834 1.00 51.23 H new ATOM 0 HB2 LEU A 69 9.308 15.091 0.457 1.00 44.53 H new ATOM 0 HB3 LEU A 69 8.854 16.745 0.098 1.00 44.53 H new ATOM 0 HG LEU A 69 9.712 14.715 -1.991 1.00 42.42 H new ATOM 0 HD11 LEU A 69 7.328 14.598 -2.606 1.00 21.43 H new ATOM 0 HD12 LEU A 69 7.617 14.021 -0.948 1.00 21.43 H new ATOM 0 HD13 LEU A 69 6.925 15.638 -1.219 1.00 21.43 H new ATOM 0 HD21 LEU A 69 8.778 16.340 -3.599 1.00 65.34 H new ATOM 0 HD22 LEU A 69 8.451 17.467 -2.261 1.00 65.34 H new ATOM 0 HD23 LEU A 69 10.128 17.030 -2.667 1.00 65.34 H new ATOM 1061 N GLU A 70 11.187 16.072 2.305 1.00 61.12 N ATOM 1062 CA GLU A 70 11.373 16.504 3.703 1.00 74.52 C ATOM 1063 C GLU A 70 12.867 16.569 4.104 1.00 1.41 C ATOM 1064 O GLU A 70 13.487 17.651 3.957 1.00 38.03 O ATOM 1065 CB GLU A 70 10.620 15.547 4.642 1.00 5.44 C ATOM 1066 CG GLU A 70 9.232 15.160 4.145 1.00 35.31 C ATOM 1067 CD GLU A 70 8.443 14.362 5.171 1.00 44.44 C ATOM 1068 OE1 GLU A 70 8.854 13.224 5.491 1.00 63.22 O ATOM 1069 OE2 GLU A 70 7.414 14.867 5.667 1.00 23.23 O ATOM 0 H GLU A 70 11.041 15.068 2.195 1.00 61.12 H new ATOM 0 HA GLU A 70 10.970 17.513 3.793 1.00 74.52 H new ATOM 0 HB2 GLU A 70 11.213 14.642 4.775 1.00 5.44 H new ATOM 0 HB3 GLU A 70 10.527 16.014 5.623 1.00 5.44 H new ATOM 0 HG2 GLU A 70 8.678 16.063 3.888 1.00 35.31 H new ATOM 0 HG3 GLU A 70 9.328 14.574 3.231 1.00 35.31 H new TER 1076 GLU A 70