USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 937 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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 LYS NZ :NH3+ -125:sc= -0.0544! (180deg=-0.282!) USER MOD Set 2.1: A 37 TYR OH : rot 150:sc= 0.567 USER MOD Set 2.2: A 69 SER OG : rot -147:sc= 0.625 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.064 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 9 LYS NZ :NH3+ -123:sc= 0.142 (180deg=0.0105) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0545 X(o=-0.055,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= -0.217 (180deg=-0.77) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000834) USER MOD Single : A 34 GLN : amide:sc= -0.0701 X(o=-0.07,f=-0.31) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc=-0.00619 X(o=-0.0062,f=-0.0062) USER MOD Single : A 39 ASN : amide:sc= -0.0321 X(o=-0.032,f=-0.23) USER MOD Single : A 43 THR OG1 : rot -170:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= -0.012 (180deg=-0.0319) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0896 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= -0.142 (180deg=-0.421) USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 0.446 (180deg=0.437) USER MOD Single : A 84 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0293) USER MOD Single : A 88 ASN : amide:sc= -1.28 K(o=-1.3,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -150:sc= 0.452 USER MOD Single : A 101 SER OG : rot -160:sc= 0.625 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HE2:sc= 0.0208 K(o=0.021,f=-0.49) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.509 -2.892 21.022 1.00 71.41 N ATOM 2 CA MET A 1 -4.333 -3.063 19.556 1.00 70.12 C ATOM 3 C MET A 1 -3.323 -4.173 19.243 1.00 12.42 C ATOM 4 O MET A 1 -2.550 -4.604 20.109 1.00 10.14 O ATOM 5 CB MET A 1 -3.856 -1.740 18.889 1.00 11.32 C ATOM 6 CG MET A 1 -4.850 -0.582 18.933 1.00 70.43 C ATOM 7 SD MET A 1 -4.239 0.847 18.020 1.00 75.24 S ATOM 8 CE MET A 1 -5.594 2.002 18.187 1.00 13.21 C ATOM 0 H1 MET A 1 -5.477 -3.161 21.289 1.00 71.41 H new ATOM 0 H2 MET A 1 -3.830 -3.497 21.526 1.00 71.41 H new ATOM 0 H3 MET A 1 -4.343 -1.898 21.278 1.00 71.41 H new ATOM 0 HA MET A 1 -5.306 -3.340 19.150 1.00 70.12 H new ATOM 0 HB2 MET A 1 -2.933 -1.422 19.374 1.00 11.32 H new ATOM 0 HB3 MET A 1 -3.613 -1.947 17.847 1.00 11.32 H new ATOM 0 HG2 MET A 1 -5.803 -0.903 18.513 1.00 70.43 H new ATOM 0 HG3 MET A 1 -5.037 -0.300 19.969 1.00 70.43 H new ATOM 0 HE1 MET A 1 -5.348 2.929 17.669 1.00 13.21 H new ATOM 0 HE2 MET A 1 -6.495 1.571 17.752 1.00 13.21 H new ATOM 0 HE3 MET A 1 -5.765 2.212 19.243 1.00 13.21 H new ATOM 20 N LEU A 2 -3.342 -4.623 17.983 1.00 42.41 N ATOM 21 CA LEU A 2 -2.273 -5.424 17.366 1.00 73.15 C ATOM 22 C LEU A 2 -1.668 -4.611 16.211 1.00 31.11 C ATOM 23 O LEU A 2 -2.294 -3.662 15.713 1.00 22.13 O ATOM 24 CB LEU A 2 -2.807 -6.823 16.917 1.00 72.11 C ATOM 25 CG LEU A 2 -4.153 -6.874 16.102 1.00 75.12 C ATOM 26 CD1 LEU A 2 -4.017 -6.370 14.641 1.00 13.12 C ATOM 27 CD2 LEU A 2 -4.758 -8.295 16.130 1.00 62.41 C ATOM 0 H LEU A 2 -4.118 -4.437 17.348 1.00 42.41 H new ATOM 0 HA LEU A 2 -1.485 -5.633 18.090 1.00 73.15 H new ATOM 0 HB2 LEU A 2 -2.033 -7.298 16.314 1.00 72.11 H new ATOM 0 HB3 LEU A 2 -2.934 -7.434 17.810 1.00 72.11 H new ATOM 0 HG LEU A 2 -4.831 -6.182 16.601 1.00 75.12 H new ATOM 0 HD11 LEU A 2 -4.984 -6.435 14.142 1.00 13.12 H new ATOM 0 HD12 LEU A 2 -3.679 -5.334 14.644 1.00 13.12 H new ATOM 0 HD13 LEU A 2 -3.293 -6.987 14.109 1.00 13.12 H new ATOM 0 HD21 LEU A 2 -5.687 -8.306 15.561 1.00 62.41 H new ATOM 0 HD22 LEU A 2 -4.053 -8.999 15.688 1.00 62.41 H new ATOM 0 HD23 LEU A 2 -4.961 -8.584 17.161 1.00 62.41 H new ATOM 39 N THR A 3 -0.439 -4.941 15.820 1.00 72.34 N ATOM 40 CA THR A 3 0.245 -4.278 14.706 1.00 64.23 C ATOM 41 C THR A 3 0.572 -5.321 13.625 1.00 64.31 C ATOM 42 O THR A 3 1.402 -6.209 13.846 1.00 53.23 O ATOM 43 CB THR A 3 1.552 -3.563 15.201 1.00 20.13 C ATOM 44 OG1 THR A 3 1.278 -2.792 16.388 1.00 52.55 O ATOM 45 CG2 THR A 3 2.131 -2.627 14.138 1.00 24.45 C ATOM 0 H THR A 3 0.113 -5.675 16.265 1.00 72.34 H new ATOM 0 HA THR A 3 -0.409 -3.514 14.285 1.00 64.23 H new ATOM 0 HB THR A 3 2.281 -4.345 15.412 1.00 20.13 H new ATOM 0 HG1 THR A 3 2.100 -2.352 16.689 1.00 52.55 H new ATOM 0 HG21 THR A 3 3.034 -2.154 14.523 1.00 24.45 H new ATOM 0 HG22 THR A 3 2.375 -3.199 13.243 1.00 24.45 H new ATOM 0 HG23 THR A 3 1.397 -1.860 13.890 1.00 24.45 H new ATOM 53 N VAL A 4 -0.110 -5.232 12.474 1.00 22.54 N ATOM 54 CA VAL A 4 0.106 -6.145 11.338 1.00 14.41 C ATOM 55 C VAL A 4 1.018 -5.467 10.312 1.00 5.51 C ATOM 56 O VAL A 4 0.920 -4.260 10.074 1.00 41.44 O ATOM 57 CB VAL A 4 -1.248 -6.607 10.675 1.00 34.15 C ATOM 58 CG1 VAL A 4 -2.034 -5.427 10.076 1.00 42.01 C ATOM 59 CG2 VAL A 4 -1.024 -7.724 9.621 1.00 71.05 C ATOM 0 H VAL A 4 -0.826 -4.527 12.303 1.00 22.54 H new ATOM 0 HA VAL A 4 0.587 -7.048 11.713 1.00 14.41 H new ATOM 0 HB VAL A 4 -1.857 -7.027 11.476 1.00 34.15 H new ATOM 0 HG11 VAL A 4 -2.959 -5.794 9.631 1.00 42.01 H new ATOM 0 HG12 VAL A 4 -2.270 -4.710 10.863 1.00 42.01 H new ATOM 0 HG13 VAL A 4 -1.431 -4.940 9.310 1.00 42.01 H new ATOM 0 HG21 VAL A 4 -1.982 -8.013 9.188 1.00 71.05 H new ATOM 0 HG22 VAL A 4 -0.367 -7.355 8.834 1.00 71.05 H new ATOM 0 HG23 VAL A 4 -0.566 -8.589 10.100 1.00 71.05 H new ATOM 69 N GLU A 5 1.944 -6.244 9.742 1.00 0.22 N ATOM 70 CA GLU A 5 2.924 -5.765 8.767 1.00 63.51 C ATOM 71 C GLU A 5 2.913 -6.683 7.541 1.00 32.20 C ATOM 72 O GLU A 5 2.779 -7.914 7.666 1.00 65.44 O ATOM 73 CB GLU A 5 4.341 -5.698 9.404 1.00 42.43 C ATOM 74 CG GLU A 5 4.464 -4.729 10.602 1.00 5.34 C ATOM 75 CD GLU A 5 5.879 -4.665 11.200 1.00 74.34 C ATOM 76 OE1 GLU A 5 6.190 -5.461 12.115 1.00 32.31 O ATOM 77 OE2 GLU A 5 6.683 -3.809 10.767 1.00 22.35 O ATOM 0 H GLU A 5 2.034 -7.239 9.949 1.00 0.22 H new ATOM 0 HA GLU A 5 2.657 -4.756 8.452 1.00 63.51 H new ATOM 0 HB2 GLU A 5 4.625 -6.698 9.732 1.00 42.43 H new ATOM 0 HB3 GLU A 5 5.056 -5.399 8.637 1.00 42.43 H new ATOM 0 HG2 GLU A 5 4.168 -3.730 10.282 1.00 5.34 H new ATOM 0 HG3 GLU A 5 3.764 -5.035 11.379 1.00 5.34 H new ATOM 84 N VAL A 6 3.055 -6.076 6.358 1.00 50.01 N ATOM 85 CA VAL A 6 3.015 -6.792 5.080 1.00 30.34 C ATOM 86 C VAL A 6 3.943 -6.114 4.050 1.00 71.02 C ATOM 87 O VAL A 6 4.035 -4.881 3.989 1.00 42.00 O ATOM 88 CB VAL A 6 1.541 -6.872 4.534 1.00 35.12 C ATOM 89 CG1 VAL A 6 0.957 -5.469 4.293 1.00 50.15 C ATOM 90 CG2 VAL A 6 1.450 -7.746 3.267 1.00 15.20 C ATOM 0 H VAL A 6 3.201 -5.071 6.260 1.00 50.01 H new ATOM 0 HA VAL A 6 3.372 -7.809 5.245 1.00 30.34 H new ATOM 0 HB VAL A 6 0.935 -7.353 5.302 1.00 35.12 H new ATOM 0 HG11 VAL A 6 -0.062 -5.559 3.916 1.00 50.15 H new ATOM 0 HG12 VAL A 6 0.950 -4.912 5.230 1.00 50.15 H new ATOM 0 HG13 VAL A 6 1.569 -4.941 3.562 1.00 50.15 H new ATOM 0 HG21 VAL A 6 0.417 -7.777 2.920 1.00 15.20 H new ATOM 0 HG22 VAL A 6 2.082 -7.323 2.487 1.00 15.20 H new ATOM 0 HG23 VAL A 6 1.786 -8.757 3.498 1.00 15.20 H new ATOM 100 N GLU A 7 4.649 -6.944 3.281 1.00 74.02 N ATOM 101 CA GLU A 7 5.534 -6.522 2.192 1.00 62.12 C ATOM 102 C GLU A 7 4.769 -6.610 0.858 1.00 43.12 C ATOM 103 O GLU A 7 4.383 -7.701 0.438 1.00 14.05 O ATOM 104 CB GLU A 7 6.777 -7.460 2.175 1.00 21.12 C ATOM 105 CG GLU A 7 7.833 -7.142 1.105 1.00 43.13 C ATOM 106 CD GLU A 7 8.965 -8.185 1.042 1.00 3.12 C ATOM 107 OE1 GLU A 7 9.690 -8.357 2.046 1.00 20.12 O ATOM 108 OE2 GLU A 7 9.119 -8.859 -0.002 1.00 43.14 O ATOM 0 H GLU A 7 4.621 -7.957 3.401 1.00 74.02 H new ATOM 0 HA GLU A 7 5.863 -5.493 2.337 1.00 62.12 H new ATOM 0 HB2 GLU A 7 7.254 -7.419 3.154 1.00 21.12 H new ATOM 0 HB3 GLU A 7 6.435 -8.485 2.029 1.00 21.12 H new ATOM 0 HG2 GLU A 7 7.348 -7.083 0.131 1.00 43.13 H new ATOM 0 HG3 GLU A 7 8.262 -6.161 1.308 1.00 43.13 H new ATOM 115 N VAL A 8 4.504 -5.466 0.217 1.00 71.14 N ATOM 116 CA VAL A 8 3.896 -5.424 -1.127 1.00 74.11 C ATOM 117 C VAL A 8 4.990 -4.993 -2.119 1.00 5.12 C ATOM 118 O VAL A 8 5.438 -3.852 -2.087 1.00 15.42 O ATOM 119 CB VAL A 8 2.664 -4.440 -1.190 1.00 21.31 C ATOM 120 CG1 VAL A 8 2.016 -4.444 -2.600 1.00 22.33 C ATOM 121 CG2 VAL A 8 1.626 -4.775 -0.085 1.00 23.34 C ATOM 0 H VAL A 8 4.702 -4.545 0.609 1.00 71.14 H new ATOM 0 HA VAL A 8 3.510 -6.411 -1.382 1.00 74.11 H new ATOM 0 HB VAL A 8 3.030 -3.431 -1.002 1.00 21.31 H new ATOM 0 HG11 VAL A 8 1.170 -3.757 -2.614 1.00 22.33 H new ATOM 0 HG12 VAL A 8 2.752 -4.128 -3.339 1.00 22.33 H new ATOM 0 HG13 VAL A 8 1.670 -5.450 -2.839 1.00 22.33 H new ATOM 0 HG21 VAL A 8 0.787 -4.082 -0.151 1.00 23.34 H new ATOM 0 HG22 VAL A 8 1.266 -5.795 -0.221 1.00 23.34 H new ATOM 0 HG23 VAL A 8 2.095 -4.684 0.895 1.00 23.34 H new ATOM 131 N LYS A 9 5.433 -5.913 -2.976 1.00 42.32 N ATOM 132 CA LYS A 9 6.584 -5.700 -3.863 1.00 31.44 C ATOM 133 C LYS A 9 6.119 -5.369 -5.289 1.00 22.21 C ATOM 134 O LYS A 9 5.566 -6.226 -5.979 1.00 11.13 O ATOM 135 CB LYS A 9 7.481 -6.962 -3.825 1.00 54.20 C ATOM 136 CG LYS A 9 8.788 -6.861 -4.660 1.00 21.20 C ATOM 137 CD LYS A 9 9.879 -7.840 -4.173 1.00 70.13 C ATOM 138 CE LYS A 9 10.314 -7.515 -2.737 1.00 53.05 C ATOM 139 NZ LYS A 9 11.274 -8.497 -2.178 1.00 75.33 N ATOM 0 H LYS A 9 5.003 -6.833 -3.077 1.00 42.32 H new ATOM 0 HA LYS A 9 7.166 -4.845 -3.519 1.00 31.44 H new ATOM 0 HB2 LYS A 9 7.745 -7.172 -2.788 1.00 54.20 H new ATOM 0 HB3 LYS A 9 6.902 -7.813 -4.185 1.00 54.20 H new ATOM 0 HG2 LYS A 9 8.563 -7.065 -5.707 1.00 21.20 H new ATOM 0 HG3 LYS A 9 9.170 -5.841 -4.609 1.00 21.20 H new ATOM 0 HD2 LYS A 9 9.502 -8.862 -4.219 1.00 70.13 H new ATOM 0 HD3 LYS A 9 10.741 -7.788 -4.838 1.00 70.13 H new ATOM 0 HE2 LYS A 9 10.767 -6.524 -2.718 1.00 53.05 H new ATOM 0 HE3 LYS A 9 9.432 -7.475 -2.098 1.00 53.05 H new ATOM 0 HZ1 LYS A 9 10.888 -8.898 -1.299 1.00 75.33 H new ATOM 0 HZ2 LYS A 9 11.431 -9.260 -2.867 1.00 75.33 H new ATOM 0 HZ3 LYS A 9 12.177 -8.023 -1.975 1.00 75.33 H new ATOM 153 N ILE A 10 6.360 -4.121 -5.720 1.00 24.40 N ATOM 154 CA ILE A 10 5.906 -3.614 -7.014 1.00 54.04 C ATOM 155 C ILE A 10 7.042 -3.718 -8.046 1.00 73.40 C ATOM 156 O ILE A 10 8.032 -2.980 -7.964 1.00 61.04 O ATOM 157 CB ILE A 10 5.426 -2.109 -6.964 1.00 15.04 C ATOM 158 CG1 ILE A 10 4.402 -1.829 -5.801 1.00 70.22 C ATOM 159 CG2 ILE A 10 4.831 -1.714 -8.341 1.00 3.43 C ATOM 160 CD1 ILE A 10 5.019 -1.586 -4.423 1.00 63.34 C ATOM 0 H ILE A 10 6.879 -3.435 -5.173 1.00 24.40 H new ATOM 0 HA ILE A 10 5.052 -4.230 -7.296 1.00 54.04 H new ATOM 0 HB ILE A 10 6.296 -1.489 -6.748 1.00 15.04 H new ATOM 0 HG12 ILE A 10 3.803 -0.959 -6.070 1.00 70.22 H new ATOM 0 HG13 ILE A 10 3.720 -2.676 -5.730 1.00 70.22 H new ATOM 0 HG21 ILE A 10 4.499 -0.676 -8.310 1.00 3.43 H new ATOM 0 HG22 ILE A 10 5.592 -1.828 -9.113 1.00 3.43 H new ATOM 0 HG23 ILE A 10 3.983 -2.360 -8.570 1.00 3.43 H new ATOM 0 HD11 ILE A 10 4.227 -1.404 -3.697 1.00 63.34 H new ATOM 0 HD12 ILE A 10 5.593 -2.462 -4.122 1.00 63.34 H new ATOM 0 HD13 ILE A 10 5.678 -0.719 -4.467 1.00 63.34 H new ATOM 172 N THR A 11 6.895 -4.634 -9.003 1.00 2.13 N ATOM 173 CA THR A 11 7.730 -4.674 -10.207 1.00 13.22 C ATOM 174 C THR A 11 6.965 -3.974 -11.355 1.00 44.05 C ATOM 175 O THR A 11 6.009 -4.517 -11.915 1.00 61.13 O ATOM 176 CB THR A 11 8.166 -6.149 -10.575 1.00 72.04 C ATOM 177 OG1 THR A 11 8.872 -6.163 -11.830 1.00 34.33 O ATOM 178 CG2 THR A 11 6.992 -7.148 -10.625 1.00 54.25 C ATOM 0 H THR A 11 6.192 -5.372 -8.967 1.00 2.13 H new ATOM 0 HA THR A 11 8.662 -4.139 -10.026 1.00 13.22 H new ATOM 0 HB THR A 11 8.822 -6.479 -9.770 1.00 72.04 H new ATOM 0 HG1 THR A 11 9.138 -7.081 -12.046 1.00 34.33 H new ATOM 0 HG21 THR A 11 7.368 -8.138 -10.883 1.00 54.25 H new ATOM 0 HG22 THR A 11 6.506 -7.187 -9.650 1.00 54.25 H new ATOM 0 HG23 THR A 11 6.272 -6.826 -11.377 1.00 54.25 H new ATOM 186 N ALA A 12 7.382 -2.732 -11.655 1.00 73.54 N ATOM 187 CA ALA A 12 6.799 -1.878 -12.709 1.00 72.15 C ATOM 188 C ALA A 12 7.833 -1.663 -13.822 1.00 22.35 C ATOM 189 O ALA A 12 8.965 -2.175 -13.745 1.00 41.34 O ATOM 190 CB ALA A 12 6.351 -0.529 -12.100 1.00 61.41 C ATOM 0 H ALA A 12 8.152 -2.282 -11.161 1.00 73.54 H new ATOM 0 HA ALA A 12 5.924 -2.366 -13.138 1.00 72.15 H new ATOM 0 HB1 ALA A 12 5.921 0.098 -12.881 1.00 61.41 H new ATOM 0 HB2 ALA A 12 5.604 -0.709 -11.327 1.00 61.41 H new ATOM 0 HB3 ALA A 12 7.212 -0.024 -11.662 1.00 61.41 H new ATOM 196 N ASP A 13 7.435 -0.892 -14.848 1.00 24.13 N ATOM 197 CA ASP A 13 8.321 -0.512 -15.964 1.00 2.22 C ATOM 198 C ASP A 13 9.375 0.498 -15.481 1.00 22.45 C ATOM 199 O ASP A 13 10.513 0.513 -15.978 1.00 44.11 O ATOM 200 CB ASP A 13 7.488 0.069 -17.132 1.00 33.43 C ATOM 201 CG ASP A 13 6.526 -0.963 -17.754 1.00 32.24 C ATOM 202 OD1 ASP A 13 5.412 -1.167 -17.210 1.00 71.32 O ATOM 203 OD2 ASP A 13 6.885 -1.593 -18.774 1.00 2.44 O ATOM 0 H ASP A 13 6.491 -0.514 -14.928 1.00 24.13 H new ATOM 0 HA ASP A 13 8.840 -1.399 -16.326 1.00 2.22 H new ATOM 0 HB2 ASP A 13 6.914 0.923 -16.773 1.00 33.43 H new ATOM 0 HB3 ASP A 13 8.163 0.440 -17.903 1.00 33.43 H new ATOM 208 N ASP A 14 8.988 1.335 -14.500 1.00 13.21 N ATOM 209 CA ASP A 14 9.907 2.251 -13.804 1.00 52.45 C ATOM 210 C ASP A 14 9.629 2.214 -12.294 1.00 24.43 C ATOM 211 O ASP A 14 8.516 2.521 -11.854 1.00 24.22 O ATOM 212 CB ASP A 14 9.774 3.697 -14.338 1.00 31.41 C ATOM 213 CG ASP A 14 10.346 3.885 -15.755 1.00 65.04 C ATOM 214 OD1 ASP A 14 11.559 4.162 -15.879 1.00 23.05 O ATOM 215 OD2 ASP A 14 9.591 3.772 -16.741 1.00 1.34 O ATOM 0 H ASP A 14 8.025 1.394 -14.168 1.00 13.21 H new ATOM 0 HA ASP A 14 10.928 1.920 -13.993 1.00 52.45 H new ATOM 0 HB2 ASP A 14 8.721 3.980 -14.340 1.00 31.41 H new ATOM 0 HB3 ASP A 14 10.285 4.376 -13.656 1.00 31.41 H new ATOM 220 N GLU A 15 10.658 1.826 -11.516 1.00 23.24 N ATOM 221 CA GLU A 15 10.600 1.746 -10.038 1.00 63.01 C ATOM 222 C GLU A 15 10.521 3.145 -9.387 1.00 23.02 C ATOM 223 O GLU A 15 9.941 3.293 -8.306 1.00 75.52 O ATOM 224 CB GLU A 15 11.812 0.949 -9.464 1.00 70.45 C ATOM 225 CG GLU A 15 13.197 1.620 -9.583 1.00 22.23 C ATOM 226 CD GLU A 15 13.667 1.865 -11.026 1.00 62.22 C ATOM 227 OE1 GLU A 15 14.158 0.915 -11.671 1.00 35.44 O ATOM 228 OE2 GLU A 15 13.522 3.003 -11.532 1.00 64.01 O ATOM 0 H GLU A 15 11.564 1.556 -11.898 1.00 23.24 H new ATOM 0 HA GLU A 15 9.685 1.209 -9.789 1.00 63.01 H new ATOM 0 HB2 GLU A 15 11.620 0.748 -8.410 1.00 70.45 H new ATOM 0 HB3 GLU A 15 11.856 -0.016 -9.969 1.00 70.45 H new ATOM 0 HG2 GLU A 15 13.170 2.574 -9.056 1.00 22.23 H new ATOM 0 HG3 GLU A 15 13.933 0.996 -9.076 1.00 22.23 H new ATOM 235 N ASN A 16 11.119 4.155 -10.047 1.00 2.22 N ATOM 236 CA ASN A 16 11.075 5.557 -9.583 1.00 73.42 C ATOM 237 C ASN A 16 9.620 6.032 -9.542 1.00 14.31 C ATOM 238 O ASN A 16 9.111 6.445 -8.491 1.00 53.20 O ATOM 239 CB ASN A 16 11.919 6.462 -10.515 1.00 43.31 C ATOM 240 CG ASN A 16 12.050 7.897 -9.997 1.00 15.12 C ATOM 241 OD1 ASN A 16 12.978 8.211 -9.257 1.00 54.31 O ATOM 242 ND2 ASN A 16 11.132 8.775 -10.374 1.00 44.40 N ATOM 0 H ASN A 16 11.644 4.025 -10.912 1.00 2.22 H new ATOM 0 HA ASN A 16 11.499 5.618 -8.581 1.00 73.42 H new ATOM 0 HB2 ASN A 16 12.913 6.030 -10.629 1.00 43.31 H new ATOM 0 HB3 ASN A 16 11.464 6.479 -11.505 1.00 43.31 H new ATOM 0 HD21 ASN A 16 11.185 9.740 -10.049 1.00 44.40 H new ATOM 0 HD22 ASN A 16 10.372 8.486 -10.990 1.00 44.40 H new ATOM 249 N LYS A 17 8.960 5.876 -10.698 1.00 40.15 N ATOM 250 CA LYS A 17 7.549 6.221 -10.891 1.00 2.02 C ATOM 251 C LYS A 17 6.657 5.417 -9.952 1.00 65.44 C ATOM 252 O LYS A 17 5.745 5.969 -9.333 1.00 20.23 O ATOM 253 CB LYS A 17 7.143 5.927 -12.347 1.00 71.21 C ATOM 254 CG LYS A 17 7.911 6.737 -13.404 1.00 31.21 C ATOM 255 CD LYS A 17 7.522 8.228 -13.423 1.00 53.34 C ATOM 256 CE LYS A 17 8.064 8.943 -14.662 1.00 71.31 C ATOM 257 NZ LYS A 17 7.630 8.264 -15.914 1.00 12.45 N ATOM 0 H LYS A 17 9.401 5.500 -11.538 1.00 40.15 H new ATOM 0 HA LYS A 17 7.422 7.281 -10.671 1.00 2.02 H new ATOM 0 HB2 LYS A 17 7.292 4.865 -12.544 1.00 71.21 H new ATOM 0 HB3 LYS A 17 6.077 6.126 -12.460 1.00 71.21 H new ATOM 0 HG2 LYS A 17 8.981 6.649 -13.214 1.00 31.21 H new ATOM 0 HG3 LYS A 17 7.726 6.307 -14.388 1.00 31.21 H new ATOM 0 HD2 LYS A 17 6.436 8.320 -13.396 1.00 53.34 H new ATOM 0 HD3 LYS A 17 7.905 8.715 -12.526 1.00 53.34 H new ATOM 0 HE2 LYS A 17 7.718 9.977 -14.668 1.00 71.31 H new ATOM 0 HE3 LYS A 17 9.153 8.972 -14.620 1.00 71.31 H new ATOM 0 HZ1 LYS A 17 7.678 8.935 -16.707 1.00 12.45 H new ATOM 0 HZ2 LYS A 17 8.256 7.456 -16.106 1.00 12.45 H new ATOM 0 HZ3 LYS A 17 6.652 7.926 -15.805 1.00 12.45 H new ATOM 271 N ALA A 18 6.957 4.112 -9.862 1.00 72.12 N ATOM 272 CA ALA A 18 6.204 3.161 -9.050 1.00 64.21 C ATOM 273 C ALA A 18 6.113 3.608 -7.586 1.00 50.24 C ATOM 274 O ALA A 18 5.024 3.636 -7.015 1.00 51.25 O ATOM 275 CB ALA A 18 6.811 1.764 -9.155 1.00 72.20 C ATOM 0 H ALA A 18 7.740 3.689 -10.360 1.00 72.12 H new ATOM 0 HA ALA A 18 5.188 3.128 -9.442 1.00 64.21 H new ATOM 0 HB1 ALA A 18 6.235 1.070 -8.543 1.00 72.20 H new ATOM 0 HB2 ALA A 18 6.789 1.435 -10.194 1.00 72.20 H new ATOM 0 HB3 ALA A 18 7.843 1.788 -8.804 1.00 72.20 H new ATOM 281 N GLU A 19 7.261 4.015 -7.020 1.00 72.22 N ATOM 282 CA GLU A 19 7.330 4.502 -5.636 1.00 13.24 C ATOM 283 C GLU A 19 6.492 5.788 -5.461 1.00 55.55 C ATOM 284 O GLU A 19 5.695 5.884 -4.525 1.00 33.52 O ATOM 285 CB GLU A 19 8.798 4.766 -5.209 1.00 3.34 C ATOM 286 CG GLU A 19 8.936 5.288 -3.760 1.00 25.42 C ATOM 287 CD GLU A 19 10.362 5.686 -3.375 1.00 35.11 C ATOM 288 OE1 GLU A 19 10.893 6.614 -4.010 1.00 21.25 O ATOM 289 OE2 GLU A 19 10.954 5.074 -2.460 1.00 52.15 O ATOM 0 H GLU A 19 8.158 4.015 -7.505 1.00 72.22 H new ATOM 0 HA GLU A 19 6.916 3.724 -4.994 1.00 13.24 H new ATOM 0 HB2 GLU A 19 9.369 3.843 -5.310 1.00 3.34 H new ATOM 0 HB3 GLU A 19 9.241 5.491 -5.891 1.00 3.34 H new ATOM 0 HG2 GLU A 19 8.282 6.150 -3.632 1.00 25.42 H new ATOM 0 HG3 GLU A 19 8.587 4.518 -3.072 1.00 25.42 H new ATOM 296 N GLU A 20 6.667 6.744 -6.396 1.00 51.31 N ATOM 297 CA GLU A 20 6.005 8.075 -6.344 1.00 54.15 C ATOM 298 C GLU A 20 4.468 7.946 -6.301 1.00 12.11 C ATOM 299 O GLU A 20 3.795 8.601 -5.482 1.00 70.34 O ATOM 300 CB GLU A 20 6.409 8.937 -7.573 1.00 5.04 C ATOM 301 CG GLU A 20 7.910 9.271 -7.681 1.00 1.31 C ATOM 302 CD GLU A 20 8.266 10.040 -8.969 1.00 61.10 C ATOM 303 OE1 GLU A 20 8.342 9.408 -10.045 1.00 23.23 O ATOM 304 OE2 GLU A 20 8.442 11.274 -8.912 1.00 3.14 O ATOM 0 H GLU A 20 7.269 6.621 -7.210 1.00 51.31 H new ATOM 0 HA GLU A 20 6.339 8.562 -5.428 1.00 54.15 H new ATOM 0 HB2 GLU A 20 6.105 8.413 -8.479 1.00 5.04 H new ATOM 0 HB3 GLU A 20 5.848 9.871 -7.541 1.00 5.04 H new ATOM 0 HG2 GLU A 20 8.207 9.864 -6.816 1.00 1.31 H new ATOM 0 HG3 GLU A 20 8.486 8.346 -7.646 1.00 1.31 H new ATOM 311 N ILE A 21 3.937 7.089 -7.192 1.00 34.22 N ATOM 312 CA ILE A 21 2.497 6.842 -7.314 1.00 52.21 C ATOM 313 C ILE A 21 1.980 6.112 -6.055 1.00 71.33 C ATOM 314 O ILE A 21 1.014 6.561 -5.455 1.00 74.24 O ATOM 315 CB ILE A 21 2.149 6.027 -8.623 1.00 32.33 C ATOM 316 CG1 ILE A 21 2.659 6.780 -9.903 1.00 44.21 C ATOM 317 CG2 ILE A 21 0.624 5.757 -8.724 1.00 3.53 C ATOM 318 CD1 ILE A 21 2.497 6.006 -11.206 1.00 40.42 C ATOM 0 H ILE A 21 4.501 6.548 -7.848 1.00 34.22 H new ATOM 0 HA ILE A 21 1.995 7.806 -7.397 1.00 52.21 H new ATOM 0 HB ILE A 21 2.661 5.067 -8.562 1.00 32.33 H new ATOM 0 HG12 ILE A 21 2.123 7.725 -9.989 1.00 44.21 H new ATOM 0 HG13 ILE A 21 3.713 7.022 -9.769 1.00 44.21 H new ATOM 0 HG21 ILE A 21 0.413 5.195 -9.634 1.00 3.53 H new ATOM 0 HG22 ILE A 21 0.298 5.181 -7.858 1.00 3.53 H new ATOM 0 HG23 ILE A 21 0.088 6.705 -8.751 1.00 3.53 H new ATOM 0 HD11 ILE A 21 2.876 6.605 -12.034 1.00 40.42 H new ATOM 0 HD12 ILE A 21 3.057 5.073 -11.147 1.00 40.42 H new ATOM 0 HD13 ILE A 21 1.442 5.787 -11.370 1.00 40.42 H new ATOM 330 N VAL A 22 2.674 5.026 -5.630 1.00 31.43 N ATOM 331 CA VAL A 22 2.278 4.236 -4.433 1.00 3.12 C ATOM 332 C VAL A 22 2.154 5.152 -3.189 1.00 23.41 C ATOM 333 O VAL A 22 1.118 5.148 -2.528 1.00 15.04 O ATOM 334 CB VAL A 22 3.265 3.032 -4.146 1.00 63.14 C ATOM 335 CG1 VAL A 22 3.009 2.382 -2.769 1.00 63.43 C ATOM 336 CG2 VAL A 22 3.148 1.961 -5.243 1.00 15.21 C ATOM 0 H VAL A 22 3.510 4.676 -6.097 1.00 31.43 H new ATOM 0 HA VAL A 22 1.302 3.800 -4.649 1.00 3.12 H new ATOM 0 HB VAL A 22 4.273 3.448 -4.143 1.00 63.14 H new ATOM 0 HG11 VAL A 22 3.710 1.561 -2.618 1.00 63.43 H new ATOM 0 HG12 VAL A 22 3.146 3.126 -1.984 1.00 63.43 H new ATOM 0 HG13 VAL A 22 1.989 1.999 -2.731 1.00 63.43 H new ATOM 0 HG21 VAL A 22 3.834 1.142 -5.027 1.00 15.21 H new ATOM 0 HG22 VAL A 22 2.127 1.580 -5.272 1.00 15.21 H new ATOM 0 HG23 VAL A 22 3.399 2.400 -6.208 1.00 15.21 H new ATOM 346 N LYS A 23 3.197 5.970 -2.941 1.00 60.50 N ATOM 347 CA LYS A 23 3.226 6.979 -1.847 1.00 4.32 C ATOM 348 C LYS A 23 1.980 7.891 -1.881 1.00 4.20 C ATOM 349 O LYS A 23 1.207 7.960 -0.904 1.00 41.13 O ATOM 350 CB LYS A 23 4.510 7.853 -1.966 1.00 41.42 C ATOM 351 CG LYS A 23 5.823 7.141 -1.581 1.00 50.42 C ATOM 352 CD LYS A 23 7.084 7.999 -1.859 1.00 11.13 C ATOM 353 CE LYS A 23 7.022 9.407 -1.236 1.00 45.12 C ATOM 354 NZ LYS A 23 6.803 9.372 0.235 1.00 60.31 N ATOM 0 H LYS A 23 4.053 5.954 -3.495 1.00 60.50 H new ATOM 0 HA LYS A 23 3.228 6.440 -0.899 1.00 4.32 H new ATOM 0 HB2 LYS A 23 4.595 8.209 -2.993 1.00 41.42 H new ATOM 0 HB3 LYS A 23 4.392 8.732 -1.333 1.00 41.42 H new ATOM 0 HG2 LYS A 23 5.793 6.883 -0.522 1.00 50.42 H new ATOM 0 HG3 LYS A 23 5.898 6.205 -2.135 1.00 50.42 H new ATOM 0 HD2 LYS A 23 7.960 7.478 -1.473 1.00 11.13 H new ATOM 0 HD3 LYS A 23 7.219 8.093 -2.937 1.00 11.13 H new ATOM 0 HE2 LYS A 23 7.951 9.936 -1.449 1.00 45.12 H new ATOM 0 HE3 LYS A 23 6.218 9.973 -1.706 1.00 45.12 H new ATOM 0 HZ1 LYS A 23 6.786 10.343 0.607 1.00 60.31 H new ATOM 0 HZ2 LYS A 23 5.896 8.907 0.440 1.00 60.31 H new ATOM 0 HZ3 LYS A 23 7.574 8.841 0.688 1.00 60.31 H new ATOM 368 N ARG A 24 1.795 8.546 -3.036 1.00 71.40 N ATOM 369 CA ARG A 24 0.638 9.415 -3.323 1.00 41.12 C ATOM 370 C ARG A 24 -0.702 8.731 -2.966 1.00 31.34 C ATOM 371 O ARG A 24 -1.566 9.318 -2.305 1.00 11.33 O ATOM 372 CB ARG A 24 0.647 9.786 -4.839 1.00 11.11 C ATOM 373 CG ARG A 24 -0.692 10.348 -5.390 1.00 53.11 C ATOM 374 CD ARG A 24 -0.818 10.263 -6.922 1.00 62.10 C ATOM 375 NE ARG A 24 -2.239 10.265 -7.321 1.00 20.43 N ATOM 376 CZ ARG A 24 -2.773 9.580 -8.342 1.00 52.12 C ATOM 377 NH1 ARG A 24 -2.023 8.807 -9.129 1.00 33.43 N ATOM 378 NH2 ARG A 24 -4.075 9.646 -8.532 1.00 2.14 N ATOM 0 H ARG A 24 2.455 8.488 -3.812 1.00 71.40 H new ATOM 0 HA ARG A 24 0.724 10.310 -2.707 1.00 41.12 H new ATOM 0 HB2 ARG A 24 1.431 10.524 -5.011 1.00 11.11 H new ATOM 0 HB3 ARG A 24 0.913 8.898 -5.412 1.00 11.11 H new ATOM 0 HG2 ARG A 24 -1.519 9.802 -4.936 1.00 53.11 H new ATOM 0 HG3 ARG A 24 -0.792 11.389 -5.084 1.00 53.11 H new ATOM 0 HD2 ARG A 24 -0.303 11.106 -7.383 1.00 62.10 H new ATOM 0 HD3 ARG A 24 -0.333 9.356 -7.284 1.00 62.10 H new ATOM 0 HE ARG A 24 -2.874 10.841 -6.768 1.00 20.43 H new ATOM 0 HH11 ARG A 24 -1.020 8.728 -8.960 1.00 33.43 H new ATOM 0 HH12 ARG A 24 -2.452 8.295 -9.900 1.00 33.43 H new ATOM 0 HH21 ARG A 24 -4.653 10.210 -7.909 1.00 2.14 H new ATOM 0 HH22 ARG A 24 -4.505 9.134 -9.302 1.00 2.14 H new ATOM 392 N VAL A 25 -0.839 7.481 -3.408 1.00 3.00 N ATOM 393 CA VAL A 25 -2.112 6.762 -3.393 1.00 73.05 C ATOM 394 C VAL A 25 -2.432 6.171 -2.002 1.00 0.32 C ATOM 395 O VAL A 25 -3.603 6.100 -1.636 1.00 72.10 O ATOM 396 CB VAL A 25 -2.128 5.669 -4.522 1.00 13.33 C ATOM 397 CG1 VAL A 25 -3.404 4.825 -4.483 1.00 61.15 C ATOM 398 CG2 VAL A 25 -1.976 6.329 -5.913 1.00 74.42 C ATOM 0 H VAL A 25 -0.065 6.936 -3.789 1.00 3.00 H new ATOM 0 HA VAL A 25 -2.908 7.476 -3.602 1.00 73.05 H new ATOM 0 HB VAL A 25 -1.283 5.004 -4.341 1.00 13.33 H new ATOM 0 HG11 VAL A 25 -3.373 4.082 -5.280 1.00 61.15 H new ATOM 0 HG12 VAL A 25 -3.477 4.321 -3.520 1.00 61.15 H new ATOM 0 HG13 VAL A 25 -4.271 5.470 -4.621 1.00 61.15 H new ATOM 0 HG21 VAL A 25 -1.989 5.559 -6.684 1.00 74.42 H new ATOM 0 HG22 VAL A 25 -2.800 7.023 -6.079 1.00 74.42 H new ATOM 0 HG23 VAL A 25 -1.031 6.871 -5.957 1.00 74.42 H new ATOM 408 N ILE A 26 -1.408 5.786 -1.208 1.00 15.34 N ATOM 409 CA ILE A 26 -1.638 5.320 0.188 1.00 24.01 C ATOM 410 C ILE A 26 -2.031 6.515 1.073 1.00 4.21 C ATOM 411 O ILE A 26 -2.727 6.353 2.071 1.00 1.53 O ATOM 412 CB ILE A 26 -0.402 4.594 0.835 1.00 54.31 C ATOM 413 CG1 ILE A 26 0.160 3.487 -0.092 1.00 51.11 C ATOM 414 CG2 ILE A 26 -0.791 3.976 2.211 1.00 71.32 C ATOM 415 CD1 ILE A 26 1.469 2.903 0.386 1.00 1.02 C ATOM 0 H ILE A 26 -0.430 5.786 -1.498 1.00 15.34 H new ATOM 0 HA ILE A 26 -2.440 4.584 0.130 1.00 24.01 H new ATOM 0 HB ILE A 26 0.375 5.344 0.981 1.00 54.31 H new ATOM 0 HG12 ILE A 26 -0.576 2.687 -0.176 1.00 51.11 H new ATOM 0 HG13 ILE A 26 0.299 3.898 -1.092 1.00 51.11 H new ATOM 0 HG21 ILE A 26 0.076 3.478 2.644 1.00 71.32 H new ATOM 0 HG22 ILE A 26 -1.129 4.766 2.882 1.00 71.32 H new ATOM 0 HG23 ILE A 26 -1.593 3.252 2.071 1.00 71.32 H new ATOM 0 HD11 ILE A 26 1.801 2.135 -0.312 1.00 1.02 H new ATOM 0 HD12 ILE A 26 2.220 3.691 0.443 1.00 1.02 H new ATOM 0 HD13 ILE A 26 1.331 2.461 1.373 1.00 1.02 H new ATOM 427 N ASP A 27 -1.558 7.712 0.693 1.00 60.40 N ATOM 428 CA ASP A 27 -2.023 8.981 1.289 1.00 13.21 C ATOM 429 C ASP A 27 -3.525 9.199 0.977 1.00 74.24 C ATOM 430 O ASP A 27 -4.285 9.682 1.829 1.00 31.22 O ATOM 431 CB ASP A 27 -1.150 10.157 0.772 1.00 13.31 C ATOM 432 CG ASP A 27 -1.660 11.544 1.199 1.00 73.01 C ATOM 433 OD1 ASP A 27 -1.490 11.919 2.376 1.00 24.41 O ATOM 434 OD2 ASP A 27 -2.232 12.265 0.354 1.00 55.10 O ATOM 0 H ASP A 27 -0.848 7.831 -0.030 1.00 60.40 H new ATOM 0 HA ASP A 27 -1.916 8.936 2.373 1.00 13.21 H new ATOM 0 HB2 ASP A 27 -0.131 10.027 1.135 1.00 13.31 H new ATOM 0 HB3 ASP A 27 -1.108 10.115 -0.316 1.00 13.31 H new ATOM 439 N GLU A 28 -3.939 8.792 -0.236 1.00 53.12 N ATOM 440 CA GLU A 28 -5.347 8.857 -0.672 1.00 63.33 C ATOM 441 C GLU A 28 -6.192 7.735 -0.019 1.00 54.44 C ATOM 442 O GLU A 28 -7.412 7.877 0.112 1.00 20.35 O ATOM 443 CB GLU A 28 -5.459 8.788 -2.219 1.00 72.34 C ATOM 444 CG GLU A 28 -4.790 9.958 -2.973 1.00 24.00 C ATOM 445 CD GLU A 28 -5.145 9.985 -4.469 1.00 72.21 C ATOM 446 OE1 GLU A 28 -6.256 10.457 -4.807 1.00 40.04 O ATOM 447 OE2 GLU A 28 -4.335 9.535 -5.310 1.00 44.13 O ATOM 0 H GLU A 28 -3.309 8.409 -0.941 1.00 53.12 H new ATOM 0 HA GLU A 28 -5.745 9.817 -0.342 1.00 63.33 H new ATOM 0 HB2 GLU A 28 -5.013 7.853 -2.560 1.00 72.34 H new ATOM 0 HB3 GLU A 28 -6.514 8.756 -2.491 1.00 72.34 H new ATOM 0 HG2 GLU A 28 -5.093 10.900 -2.515 1.00 24.00 H new ATOM 0 HG3 GLU A 28 -3.708 9.884 -2.862 1.00 24.00 H new ATOM 454 N VAL A 29 -5.544 6.615 0.366 1.00 12.05 N ATOM 455 CA VAL A 29 -6.201 5.544 1.143 1.00 22.35 C ATOM 456 C VAL A 29 -6.349 6.001 2.602 1.00 33.01 C ATOM 457 O VAL A 29 -7.407 5.834 3.205 1.00 71.43 O ATOM 458 CB VAL A 29 -5.400 4.179 1.090 1.00 63.13 C ATOM 459 CG1 VAL A 29 -6.078 3.073 1.941 1.00 63.53 C ATOM 460 CG2 VAL A 29 -5.213 3.696 -0.361 1.00 53.10 C ATOM 0 H VAL A 29 -4.564 6.429 0.150 1.00 12.05 H new ATOM 0 HA VAL A 29 -7.178 5.360 0.696 1.00 22.35 H new ATOM 0 HB VAL A 29 -4.418 4.376 1.520 1.00 63.13 H new ATOM 0 HG11 VAL A 29 -5.495 2.155 1.875 1.00 63.53 H new ATOM 0 HG12 VAL A 29 -6.131 3.395 2.981 1.00 63.53 H new ATOM 0 HG13 VAL A 29 -7.085 2.891 1.565 1.00 63.53 H new ATOM 0 HG21 VAL A 29 -4.660 2.757 -0.363 1.00 53.10 H new ATOM 0 HG22 VAL A 29 -6.189 3.543 -0.822 1.00 53.10 H new ATOM 0 HG23 VAL A 29 -4.658 4.446 -0.925 1.00 53.10 H new ATOM 470 N GLU A 30 -5.281 6.634 3.129 1.00 31.10 N ATOM 471 CA GLU A 30 -5.171 7.015 4.543 1.00 4.01 C ATOM 472 C GLU A 30 -6.267 8.020 4.923 1.00 41.34 C ATOM 473 O GLU A 30 -6.917 7.849 5.945 1.00 54.34 O ATOM 474 CB GLU A 30 -3.768 7.603 4.861 1.00 32.34 C ATOM 475 CG GLU A 30 -3.596 8.069 6.324 1.00 55.11 C ATOM 476 CD GLU A 30 -2.246 8.734 6.627 1.00 14.25 C ATOM 477 OE1 GLU A 30 -1.777 9.554 5.812 1.00 14.24 O ATOM 478 OE2 GLU A 30 -1.658 8.458 7.694 1.00 1.12 O ATOM 0 H GLU A 30 -4.465 6.895 2.575 1.00 31.10 H new ATOM 0 HA GLU A 30 -5.304 6.112 5.139 1.00 4.01 H new ATOM 0 HB2 GLU A 30 -3.012 6.850 4.640 1.00 32.34 H new ATOM 0 HB3 GLU A 30 -3.581 8.447 4.198 1.00 32.34 H new ATOM 0 HG2 GLU A 30 -4.394 8.771 6.564 1.00 55.11 H new ATOM 0 HG3 GLU A 30 -3.719 7.209 6.982 1.00 55.11 H new ATOM 485 N ARG A 31 -6.494 9.036 4.061 1.00 32.12 N ATOM 486 CA ARG A 31 -7.534 10.072 4.305 1.00 21.32 C ATOM 487 C ARG A 31 -8.945 9.452 4.447 1.00 41.42 C ATOM 488 O ARG A 31 -9.803 10.014 5.134 1.00 70.01 O ATOM 489 CB ARG A 31 -7.532 11.158 3.189 1.00 62.11 C ATOM 490 CG ARG A 31 -7.737 10.633 1.742 1.00 61.02 C ATOM 491 CD ARG A 31 -8.060 11.742 0.713 1.00 15.15 C ATOM 492 NE ARG A 31 -7.847 11.295 -0.688 1.00 54.03 N ATOM 493 CZ ARG A 31 -8.759 10.714 -1.493 1.00 22.23 C ATOM 494 NH1 ARG A 31 -9.996 10.482 -1.073 1.00 53.42 N ATOM 495 NH2 ARG A 31 -8.421 10.389 -2.734 1.00 63.23 N ATOM 0 H ARG A 31 -5.975 9.164 3.192 1.00 32.12 H new ATOM 0 HA ARG A 31 -7.280 10.551 5.251 1.00 21.32 H new ATOM 0 HB2 ARG A 31 -8.318 11.881 3.409 1.00 62.11 H new ATOM 0 HB3 ARG A 31 -6.584 11.695 3.231 1.00 62.11 H new ATOM 0 HG2 ARG A 31 -6.836 10.108 1.425 1.00 61.02 H new ATOM 0 HG3 ARG A 31 -8.547 9.904 1.742 1.00 61.02 H new ATOM 0 HD2 ARG A 31 -9.096 12.058 0.837 1.00 15.15 H new ATOM 0 HD3 ARG A 31 -7.435 12.612 0.913 1.00 15.15 H new ATOM 0 HE ARG A 31 -6.917 11.443 -1.080 1.00 54.03 H new ATOM 0 HH11 ARG A 31 -10.271 10.744 -0.126 1.00 53.42 H new ATOM 0 HH12 ARG A 31 -10.672 10.041 -1.697 1.00 53.42 H new ATOM 0 HH21 ARG A 31 -7.478 10.579 -3.072 1.00 63.23 H new ATOM 0 HH22 ARG A 31 -9.105 9.949 -3.350 1.00 63.23 H new ATOM 509 N GLU A 32 -9.154 8.293 3.796 1.00 73.33 N ATOM 510 CA GLU A 32 -10.429 7.551 3.832 1.00 61.32 C ATOM 511 C GLU A 32 -10.487 6.610 5.048 1.00 52.05 C ATOM 512 O GLU A 32 -11.548 6.445 5.666 1.00 24.14 O ATOM 513 CB GLU A 32 -10.609 6.759 2.508 1.00 23.01 C ATOM 514 CG GLU A 32 -10.561 7.634 1.236 1.00 53.11 C ATOM 515 CD GLU A 32 -11.563 8.802 1.270 1.00 3.10 C ATOM 516 OE1 GLU A 32 -12.768 8.565 1.048 1.00 34.00 O ATOM 517 OE2 GLU A 32 -11.155 9.961 1.523 1.00 11.44 O ATOM 0 H GLU A 32 -8.438 7.842 3.226 1.00 73.33 H new ATOM 0 HA GLU A 32 -11.248 8.264 3.932 1.00 61.32 H new ATOM 0 HB2 GLU A 32 -9.830 6.000 2.443 1.00 23.01 H new ATOM 0 HB3 GLU A 32 -11.564 6.234 2.539 1.00 23.01 H new ATOM 0 HG2 GLU A 32 -9.553 8.031 1.113 1.00 53.11 H new ATOM 0 HG3 GLU A 32 -10.767 7.011 0.366 1.00 53.11 H new ATOM 524 N VAL A 33 -9.337 6.011 5.387 1.00 1.32 N ATOM 525 CA VAL A 33 -9.213 5.083 6.523 1.00 43.10 C ATOM 526 C VAL A 33 -9.310 5.839 7.860 1.00 34.43 C ATOM 527 O VAL A 33 -9.829 5.316 8.827 1.00 25.41 O ATOM 528 CB VAL A 33 -7.873 4.257 6.438 1.00 72.42 C ATOM 529 CG1 VAL A 33 -7.639 3.398 7.698 1.00 2.32 C ATOM 530 CG2 VAL A 33 -7.860 3.363 5.176 1.00 0.11 C ATOM 0 H VAL A 33 -8.463 6.156 4.881 1.00 1.32 H new ATOM 0 HA VAL A 33 -10.042 4.378 6.472 1.00 43.10 H new ATOM 0 HB VAL A 33 -7.058 4.978 6.373 1.00 72.42 H new ATOM 0 HG11 VAL A 33 -6.704 2.847 7.594 1.00 2.32 H new ATOM 0 HG12 VAL A 33 -7.584 4.044 8.574 1.00 2.32 H new ATOM 0 HG13 VAL A 33 -8.463 2.695 7.817 1.00 2.32 H new ATOM 0 HG21 VAL A 33 -6.926 2.802 5.137 1.00 0.11 H new ATOM 0 HG22 VAL A 33 -8.699 2.669 5.213 1.00 0.11 H new ATOM 0 HG23 VAL A 33 -7.945 3.988 4.287 1.00 0.11 H new ATOM 540 N GLN A 34 -8.847 7.098 7.896 1.00 43.04 N ATOM 541 CA GLN A 34 -8.928 7.937 9.112 1.00 55.41 C ATOM 542 C GLN A 34 -10.381 8.370 9.402 1.00 13.32 C ATOM 543 O GLN A 34 -10.676 8.868 10.486 1.00 51.13 O ATOM 544 CB GLN A 34 -7.990 9.173 8.992 1.00 55.35 C ATOM 545 CG GLN A 34 -6.482 8.833 8.884 1.00 14.21 C ATOM 546 CD GLN A 34 -5.934 8.037 10.073 1.00 63.32 C ATOM 547 OE1 GLN A 34 -6.394 8.194 11.199 1.00 11.43 O ATOM 548 NE2 GLN A 34 -4.947 7.181 9.829 1.00 43.12 N ATOM 0 H GLN A 34 -8.412 7.562 7.099 1.00 43.04 H new ATOM 0 HA GLN A 34 -8.591 7.335 9.956 1.00 55.41 H new ATOM 0 HB2 GLN A 34 -8.282 9.750 8.115 1.00 55.35 H new ATOM 0 HB3 GLN A 34 -8.143 9.814 9.860 1.00 55.35 H new ATOM 0 HG2 GLN A 34 -6.313 8.263 7.970 1.00 14.21 H new ATOM 0 HG3 GLN A 34 -5.917 9.760 8.790 1.00 14.21 H new ATOM 0 HE21 GLN A 34 -4.587 7.074 8.881 1.00 43.12 H new ATOM 0 HE22 GLN A 34 -4.549 6.631 10.590 1.00 43.12 H new ATOM 557 N LYS A 35 -11.275 8.193 8.411 1.00 61.44 N ATOM 558 CA LYS A 35 -12.721 8.431 8.563 1.00 54.33 C ATOM 559 C LYS A 35 -13.430 7.164 9.091 1.00 1.20 C ATOM 560 O LYS A 35 -14.310 7.245 9.953 1.00 13.31 O ATOM 561 CB LYS A 35 -13.326 8.852 7.195 1.00 42.15 C ATOM 562 CG LYS A 35 -12.670 10.104 6.569 1.00 31.02 C ATOM 563 CD LYS A 35 -13.247 10.449 5.179 1.00 4.13 C ATOM 564 CE LYS A 35 -14.729 10.846 5.225 1.00 62.22 C ATOM 565 NZ LYS A 35 -15.293 11.050 3.865 1.00 53.34 N ATOM 0 H LYS A 35 -11.012 7.879 7.477 1.00 61.44 H new ATOM 0 HA LYS A 35 -12.871 9.232 9.287 1.00 54.33 H new ATOM 0 HB2 LYS A 35 -13.232 8.020 6.498 1.00 42.15 H new ATOM 0 HB3 LYS A 35 -14.392 9.041 7.325 1.00 42.15 H new ATOM 0 HG2 LYS A 35 -12.810 10.954 7.237 1.00 31.02 H new ATOM 0 HG3 LYS A 35 -11.596 9.941 6.481 1.00 31.02 H new ATOM 0 HD2 LYS A 35 -12.671 11.267 4.746 1.00 4.13 H new ATOM 0 HD3 LYS A 35 -13.127 9.590 4.519 1.00 4.13 H new ATOM 0 HE2 LYS A 35 -15.296 10.071 5.740 1.00 62.22 H new ATOM 0 HE3 LYS A 35 -14.841 11.762 5.805 1.00 62.22 H new ATOM 0 HZ1 LYS A 35 -16.295 11.317 3.941 1.00 53.34 H new ATOM 0 HZ2 LYS A 35 -14.769 11.807 3.382 1.00 53.34 H new ATOM 0 HZ3 LYS A 35 -15.210 10.169 3.319 1.00 53.34 H new ATOM 579 N GLN A 36 -13.023 5.996 8.561 1.00 1.31 N ATOM 580 CA GLN A 36 -13.691 4.705 8.821 1.00 12.03 C ATOM 581 C GLN A 36 -13.132 4.048 10.095 1.00 43.33 C ATOM 582 O GLN A 36 -13.883 3.642 10.991 1.00 62.40 O ATOM 583 CB GLN A 36 -13.500 3.766 7.595 1.00 3.20 C ATOM 584 CG GLN A 36 -13.990 4.340 6.248 1.00 1.24 C ATOM 585 CD GLN A 36 -15.467 4.745 6.262 1.00 44.41 C ATOM 586 OE1 GLN A 36 -15.806 5.898 6.543 1.00 34.10 O ATOM 587 NE2 GLN A 36 -16.350 3.797 5.981 1.00 42.52 N ATOM 0 H GLN A 36 -12.219 5.920 7.938 1.00 1.31 H new ATOM 0 HA GLN A 36 -14.755 4.882 8.975 1.00 12.03 H new ATOM 0 HB2 GLN A 36 -12.441 3.522 7.505 1.00 3.20 H new ATOM 0 HB3 GLN A 36 -14.027 2.831 7.787 1.00 3.20 H new ATOM 0 HG2 GLN A 36 -13.385 5.209 5.990 1.00 1.24 H new ATOM 0 HG3 GLN A 36 -13.832 3.598 5.466 1.00 1.24 H new ATOM 0 HE21 GLN A 36 -16.032 2.855 5.753 1.00 42.52 H new ATOM 0 HE22 GLN A 36 -17.348 4.010 5.993 1.00 42.52 H new ATOM 596 N TYR A 37 -11.802 3.928 10.140 1.00 71.52 N ATOM 597 CA TYR A 37 -11.064 3.301 11.247 1.00 20.44 C ATOM 598 C TYR A 37 -10.251 4.373 12.022 1.00 61.43 C ATOM 599 O TYR A 37 -9.156 4.757 11.583 1.00 24.44 O ATOM 600 CB TYR A 37 -10.113 2.195 10.700 1.00 52.40 C ATOM 601 CG TYR A 37 -10.785 1.167 9.776 1.00 4.40 C ATOM 602 CD1 TYR A 37 -11.410 0.027 10.290 1.00 71.23 C ATOM 603 CD2 TYR A 37 -10.813 1.348 8.388 1.00 43.15 C ATOM 604 CE1 TYR A 37 -12.018 -0.894 9.456 1.00 54.13 C ATOM 605 CE2 TYR A 37 -11.419 0.426 7.554 1.00 44.23 C ATOM 606 CZ TYR A 37 -12.028 -0.683 8.092 1.00 63.22 C ATOM 607 OH TYR A 37 -12.647 -1.592 7.259 1.00 15.13 O ATOM 0 H TYR A 37 -11.194 4.269 9.395 1.00 71.52 H new ATOM 0 HA TYR A 37 -11.778 2.841 11.930 1.00 20.44 H new ATOM 0 HB2 TYR A 37 -9.298 2.673 10.157 1.00 52.40 H new ATOM 0 HB3 TYR A 37 -9.668 1.668 11.544 1.00 52.40 H new ATOM 0 HD1 TYR A 37 -11.418 -0.138 11.357 1.00 71.23 H new ATOM 0 HD2 TYR A 37 -10.352 2.226 7.960 1.00 43.15 H new ATOM 0 HE1 TYR A 37 -12.484 -1.776 9.871 1.00 54.13 H new ATOM 0 HE2 TYR A 37 -11.414 0.577 6.485 1.00 44.23 H new ATOM 0 HH TYR A 37 -12.986 -1.129 6.465 1.00 15.13 H new ATOM 617 N PRO A 38 -10.776 4.896 13.181 1.00 75.04 N ATOM 618 CA PRO A 38 -9.998 5.794 14.087 1.00 13.42 C ATOM 619 C PRO A 38 -8.840 5.041 14.783 1.00 30.13 C ATOM 620 O PRO A 38 -7.887 5.644 15.280 1.00 14.00 O ATOM 621 CB PRO A 38 -11.060 6.278 15.121 1.00 31.01 C ATOM 622 CG PRO A 38 -12.389 5.947 14.504 1.00 44.42 C ATOM 623 CD PRO A 38 -12.158 4.699 13.691 1.00 62.41 C ATOM 0 HA PRO A 38 -9.520 6.615 13.552 1.00 13.42 H new ATOM 0 HB2 PRO A 38 -10.934 5.775 16.080 1.00 31.01 H new ATOM 0 HB3 PRO A 38 -10.968 7.348 15.308 1.00 31.01 H new ATOM 0 HG2 PRO A 38 -13.147 5.781 15.270 1.00 44.42 H new ATOM 0 HG3 PRO A 38 -12.744 6.764 13.876 1.00 44.42 H new ATOM 0 HD2 PRO A 38 -12.241 3.798 14.299 1.00 62.41 H new ATOM 0 HD3 PRO A 38 -12.880 4.604 12.880 1.00 62.41 H new ATOM 631 N ASN A 39 -8.972 3.706 14.802 1.00 2.34 N ATOM 632 CA ASN A 39 -8.007 2.772 15.404 1.00 31.31 C ATOM 633 C ASN A 39 -6.714 2.673 14.564 1.00 74.23 C ATOM 634 O ASN A 39 -5.665 2.287 15.075 1.00 0.24 O ATOM 635 CB ASN A 39 -8.654 1.359 15.525 1.00 3.12 C ATOM 636 CG ASN A 39 -10.034 1.377 16.194 1.00 11.21 C ATOM 637 OD1 ASN A 39 -11.050 1.561 15.524 1.00 12.42 O ATOM 638 ND2 ASN A 39 -10.080 1.190 17.502 1.00 4.43 N ATOM 0 H ASN A 39 -9.775 3.233 14.388 1.00 2.34 H new ATOM 0 HA ASN A 39 -7.743 3.151 16.391 1.00 31.31 H new ATOM 0 HB2 ASN A 39 -8.746 0.923 14.530 1.00 3.12 H new ATOM 0 HB3 ASN A 39 -7.990 0.711 16.097 1.00 3.12 H new ATOM 0 HD21 ASN A 39 -10.977 1.195 17.987 1.00 4.43 H new ATOM 0 HD22 ASN A 39 -9.218 1.040 18.026 1.00 4.43 H new ATOM 645 N ALA A 40 -6.806 3.024 13.274 1.00 40.53 N ATOM 646 CA ALA A 40 -5.754 2.728 12.293 1.00 2.34 C ATOM 647 C ALA A 40 -4.588 3.735 12.323 1.00 53.41 C ATOM 648 O ALA A 40 -4.781 4.932 12.086 1.00 74.12 O ATOM 649 CB ALA A 40 -6.359 2.688 10.894 1.00 72.13 C ATOM 0 H ALA A 40 -7.608 3.519 12.883 1.00 40.53 H new ATOM 0 HA ALA A 40 -5.337 1.758 12.562 1.00 2.34 H new ATOM 0 HB1 ALA A 40 -5.578 2.468 10.166 1.00 72.13 H new ATOM 0 HB2 ALA A 40 -7.124 1.913 10.850 1.00 72.13 H new ATOM 0 HB3 ALA A 40 -6.808 3.654 10.664 1.00 72.13 H new ATOM 655 N THR A 41 -3.381 3.228 12.598 1.00 50.41 N ATOM 656 CA THR A 41 -2.126 3.969 12.466 1.00 21.35 C ATOM 657 C THR A 41 -1.306 3.287 11.350 1.00 42.33 C ATOM 658 O THR A 41 -0.848 2.154 11.523 1.00 51.11 O ATOM 659 CB THR A 41 -1.352 3.933 13.828 1.00 74.44 C ATOM 660 OG1 THR A 41 -2.225 4.339 14.904 1.00 11.25 O ATOM 661 CG2 THR A 41 -0.098 4.824 13.823 1.00 3.53 C ATOM 0 H THR A 41 -3.249 2.271 12.925 1.00 50.41 H new ATOM 0 HA THR A 41 -2.306 5.013 12.212 1.00 21.35 H new ATOM 0 HB THR A 41 -1.022 2.905 13.976 1.00 74.44 H new ATOM 0 HG1 THR A 41 -1.734 4.312 15.752 1.00 11.25 H new ATOM 0 HG21 THR A 41 0.398 4.760 14.792 1.00 3.53 H new ATOM 0 HG22 THR A 41 0.585 4.487 13.043 1.00 3.53 H new ATOM 0 HG23 THR A 41 -0.387 5.857 13.631 1.00 3.53 H new ATOM 669 N ILE A 42 -1.122 3.972 10.210 1.00 64.11 N ATOM 670 CA ILE A 42 -0.529 3.373 8.996 1.00 62.03 C ATOM 671 C ILE A 42 0.877 3.961 8.762 1.00 63.31 C ATOM 672 O ILE A 42 1.011 5.147 8.469 1.00 24.25 O ATOM 673 CB ILE A 42 -1.429 3.623 7.719 1.00 22.12 C ATOM 674 CG1 ILE A 42 -2.938 3.337 8.022 1.00 43.22 C ATOM 675 CG2 ILE A 42 -0.938 2.753 6.525 1.00 22.11 C ATOM 676 CD1 ILE A 42 -3.883 3.737 6.903 1.00 35.20 C ATOM 0 H ILE A 42 -1.378 4.953 10.100 1.00 64.11 H new ATOM 0 HA ILE A 42 -0.463 2.296 9.153 1.00 62.03 H new ATOM 0 HB ILE A 42 -1.336 4.674 7.446 1.00 22.12 H new ATOM 0 HG12 ILE A 42 -3.061 2.273 8.224 1.00 43.22 H new ATOM 0 HG13 ILE A 42 -3.222 3.869 8.930 1.00 43.22 H new ATOM 0 HG21 ILE A 42 -1.569 2.939 5.656 1.00 22.11 H new ATOM 0 HG22 ILE A 42 0.094 3.012 6.286 1.00 22.11 H new ATOM 0 HG23 ILE A 42 -0.994 1.699 6.796 1.00 22.11 H new ATOM 0 HD11 ILE A 42 -4.908 3.506 7.192 1.00 35.20 H new ATOM 0 HD12 ILE A 42 -3.792 4.807 6.715 1.00 35.20 H new ATOM 0 HD13 ILE A 42 -3.629 3.186 5.998 1.00 35.20 H new ATOM 688 N THR A 43 1.915 3.135 8.935 1.00 63.25 N ATOM 689 CA THR A 43 3.306 3.488 8.618 1.00 15.21 C ATOM 690 C THR A 43 3.678 2.907 7.239 1.00 33.12 C ATOM 691 O THR A 43 3.375 1.741 6.949 1.00 71.13 O ATOM 692 CB THR A 43 4.279 2.937 9.716 1.00 34.42 C ATOM 693 OG1 THR A 43 3.849 3.377 11.018 1.00 15.43 O ATOM 694 CG2 THR A 43 5.743 3.364 9.482 1.00 32.42 C ATOM 0 H THR A 43 1.813 2.190 9.304 1.00 63.25 H new ATOM 0 HA THR A 43 3.401 4.574 8.593 1.00 15.21 H new ATOM 0 HB THR A 43 4.245 1.849 9.656 1.00 34.42 H new ATOM 0 HG1 THR A 43 4.541 3.166 11.680 1.00 15.43 H new ATOM 0 HG21 THR A 43 6.372 2.954 10.272 1.00 32.42 H new ATOM 0 HG22 THR A 43 6.082 2.988 8.517 1.00 32.42 H new ATOM 0 HG23 THR A 43 5.811 4.452 9.492 1.00 32.42 H new ATOM 702 N ARG A 44 4.300 3.740 6.387 1.00 62.02 N ATOM 703 CA ARG A 44 4.753 3.354 5.040 1.00 64.45 C ATOM 704 C ARG A 44 6.265 3.584 4.940 1.00 75.42 C ATOM 705 O ARG A 44 6.774 4.623 5.376 1.00 1.40 O ATOM 706 CB ARG A 44 4.008 4.159 3.924 1.00 64.13 C ATOM 707 CG ARG A 44 2.477 3.938 3.864 1.00 25.31 C ATOM 708 CD ARG A 44 1.680 4.754 4.898 1.00 51.12 C ATOM 709 NE ARG A 44 1.491 6.156 4.486 1.00 23.31 N ATOM 710 CZ ARG A 44 0.835 7.092 5.203 1.00 61.02 C ATOM 711 NH1 ARG A 44 0.310 6.792 6.386 1.00 61.14 N ATOM 712 NH2 ARG A 44 0.674 8.318 4.706 1.00 13.13 N ATOM 0 H ARG A 44 4.505 4.712 6.618 1.00 62.02 H new ATOM 0 HA ARG A 44 4.522 2.300 4.885 1.00 64.45 H new ATOM 0 HB2 ARG A 44 4.200 5.221 4.075 1.00 64.13 H new ATOM 0 HB3 ARG A 44 4.436 3.891 2.958 1.00 64.13 H new ATOM 0 HG2 ARG A 44 2.123 4.194 2.865 1.00 25.31 H new ATOM 0 HG3 ARG A 44 2.268 2.879 4.015 1.00 25.31 H new ATOM 0 HD2 ARG A 44 0.706 4.289 5.050 1.00 51.12 H new ATOM 0 HD3 ARG A 44 2.199 4.727 5.856 1.00 51.12 H new ATOM 0 HE ARG A 44 1.886 6.441 3.590 1.00 23.31 H new ATOM 0 HH11 ARG A 44 0.401 5.847 6.760 1.00 61.14 H new ATOM 0 HH12 ARG A 44 -0.184 7.506 6.921 1.00 61.14 H new ATOM 0 HH21 ARG A 44 1.046 8.548 3.785 1.00 13.13 H new ATOM 0 HH22 ARG A 44 0.178 9.027 5.247 1.00 13.13 H new ATOM 726 N THR A 45 6.974 2.595 4.390 1.00 63.05 N ATOM 727 CA THR A 45 8.421 2.637 4.176 1.00 3.24 C ATOM 728 C THR A 45 8.729 1.998 2.811 1.00 22.33 C ATOM 729 O THR A 45 8.573 0.788 2.645 1.00 61.20 O ATOM 730 CB THR A 45 9.159 1.882 5.342 1.00 40.12 C ATOM 731 OG1 THR A 45 8.793 2.458 6.609 1.00 20.14 O ATOM 732 CG2 THR A 45 10.689 1.939 5.189 1.00 22.04 C ATOM 0 H THR A 45 6.548 1.724 4.074 1.00 63.05 H new ATOM 0 HA THR A 45 8.777 3.667 4.176 1.00 3.24 H new ATOM 0 HB THR A 45 8.851 0.838 5.297 1.00 40.12 H new ATOM 0 HG1 THR A 45 9.255 1.982 7.330 1.00 20.14 H new ATOM 0 HG21 THR A 45 11.157 1.405 6.016 1.00 22.04 H new ATOM 0 HG22 THR A 45 10.978 1.474 4.247 1.00 22.04 H new ATOM 0 HG23 THR A 45 11.017 2.978 5.196 1.00 22.04 H new ATOM 740 N LEU A 46 9.123 2.815 1.819 1.00 64.22 N ATOM 741 CA LEU A 46 9.375 2.334 0.446 1.00 4.32 C ATOM 742 C LEU A 46 10.877 2.390 0.139 1.00 71.22 C ATOM 743 O LEU A 46 11.562 3.354 0.506 1.00 63.51 O ATOM 744 CB LEU A 46 8.578 3.145 -0.618 1.00 51.43 C ATOM 745 CG LEU A 46 7.012 3.100 -0.515 1.00 41.31 C ATOM 746 CD1 LEU A 46 6.455 4.035 0.591 1.00 53.11 C ATOM 747 CD2 LEU A 46 6.356 3.397 -1.881 1.00 61.22 C ATOM 0 H LEU A 46 9.275 3.816 1.942 1.00 64.22 H new ATOM 0 HA LEU A 46 9.028 1.302 0.392 1.00 4.32 H new ATOM 0 HB2 LEU A 46 8.893 4.187 -0.557 1.00 51.43 H new ATOM 0 HB3 LEU A 46 8.864 2.783 -1.606 1.00 51.43 H new ATOM 0 HG LEU A 46 6.748 2.084 -0.222 1.00 41.31 H new ATOM 0 HD11 LEU A 46 5.368 3.962 0.616 1.00 53.11 H new ATOM 0 HD12 LEU A 46 6.861 3.737 1.558 1.00 53.11 H new ATOM 0 HD13 LEU A 46 6.745 5.064 0.378 1.00 53.11 H new ATOM 0 HD21 LEU A 46 5.271 3.359 -1.780 1.00 61.22 H new ATOM 0 HD22 LEU A 46 6.654 4.389 -2.220 1.00 61.22 H new ATOM 0 HD23 LEU A 46 6.679 2.653 -2.609 1.00 61.22 H new ATOM 759 N THR A 47 11.372 1.352 -0.539 1.00 21.31 N ATOM 760 CA THR A 47 12.767 1.252 -0.967 1.00 34.21 C ATOM 761 C THR A 47 12.815 0.550 -2.328 1.00 0.12 C ATOM 762 O THR A 47 12.249 -0.535 -2.480 1.00 64.42 O ATOM 763 CB THR A 47 13.633 0.455 0.075 1.00 25.34 C ATOM 764 OG1 THR A 47 13.513 1.054 1.384 1.00 74.11 O ATOM 765 CG2 THR A 47 15.127 0.386 -0.318 1.00 24.42 C ATOM 0 H THR A 47 10.807 0.547 -0.809 1.00 21.31 H new ATOM 0 HA THR A 47 13.183 2.257 -1.042 1.00 34.21 H new ATOM 0 HB THR A 47 13.247 -0.564 0.088 1.00 25.34 H new ATOM 0 HG1 THR A 47 14.055 0.549 2.026 1.00 74.11 H new ATOM 0 HG21 THR A 47 15.676 -0.176 0.437 1.00 24.42 H new ATOM 0 HG22 THR A 47 15.227 -0.110 -1.283 1.00 24.42 H new ATOM 0 HG23 THR A 47 15.532 1.396 -0.386 1.00 24.42 H new ATOM 773 N ARG A 48 13.499 1.161 -3.313 1.00 1.33 N ATOM 774 CA ARG A 48 13.695 0.526 -4.620 1.00 64.01 C ATOM 775 C ARG A 48 14.903 -0.411 -4.480 1.00 22.04 C ATOM 776 O ARG A 48 16.052 0.034 -4.475 1.00 52.24 O ATOM 777 CB ARG A 48 13.931 1.563 -5.769 1.00 5.31 C ATOM 778 CG ARG A 48 12.784 2.576 -6.033 1.00 41.13 C ATOM 779 CD ARG A 48 12.789 3.776 -5.076 1.00 51.35 C ATOM 780 NE ARG A 48 14.108 4.448 -5.036 1.00 54.23 N ATOM 781 CZ ARG A 48 14.340 5.762 -5.222 1.00 4.14 C ATOM 782 NH1 ARG A 48 13.349 6.610 -5.482 1.00 20.41 N ATOM 783 NH2 ARG A 48 15.569 6.223 -5.098 1.00 12.15 N ATOM 0 H ARG A 48 13.920 2.086 -3.226 1.00 1.33 H new ATOM 0 HA ARG A 48 12.793 -0.018 -4.899 1.00 64.01 H new ATOM 0 HB2 ARG A 48 14.837 2.125 -5.541 1.00 5.31 H new ATOM 0 HB3 ARG A 48 14.120 1.014 -6.691 1.00 5.31 H new ATOM 0 HG2 ARG A 48 12.861 2.939 -7.058 1.00 41.13 H new ATOM 0 HG3 ARG A 48 11.828 2.059 -5.949 1.00 41.13 H new ATOM 0 HD2 ARG A 48 12.027 4.491 -5.387 1.00 51.35 H new ATOM 0 HD3 ARG A 48 12.522 3.441 -4.074 1.00 51.35 H new ATOM 0 HE ARG A 48 14.920 3.859 -4.850 1.00 54.23 H new ATOM 0 HH11 ARG A 48 12.390 6.270 -5.544 1.00 20.41 H new ATOM 0 HH12 ARG A 48 13.548 7.601 -5.619 1.00 20.41 H new ATOM 0 HH21 ARG A 48 16.331 5.587 -4.864 1.00 12.15 H new ATOM 0 HH22 ARG A 48 15.758 7.216 -5.236 1.00 12.15 H new ATOM 797 N ASP A 49 14.610 -1.697 -4.285 1.00 34.20 N ATOM 798 CA ASP A 49 15.614 -2.752 -4.112 1.00 20.01 C ATOM 799 C ASP A 49 15.891 -3.424 -5.472 1.00 34.33 C ATOM 800 O ASP A 49 15.047 -4.179 -5.977 1.00 1.10 O ATOM 801 CB ASP A 49 15.102 -3.777 -3.065 1.00 74.24 C ATOM 802 CG ASP A 49 16.143 -4.850 -2.705 1.00 63.05 C ATOM 803 OD1 ASP A 49 16.948 -4.622 -1.771 1.00 21.23 O ATOM 804 OD2 ASP A 49 16.143 -5.936 -3.328 1.00 42.02 O ATOM 0 H ASP A 49 13.651 -2.043 -4.242 1.00 34.20 H new ATOM 0 HA ASP A 49 16.550 -2.329 -3.747 1.00 20.01 H new ATOM 0 HB2 ASP A 49 14.810 -3.246 -2.159 1.00 74.24 H new ATOM 0 HB3 ASP A 49 14.207 -4.264 -3.451 1.00 74.24 H new ATOM 809 N ASP A 50 17.049 -3.074 -6.072 1.00 11.22 N ATOM 810 CA ASP A 50 17.547 -3.644 -7.346 1.00 34.34 C ATOM 811 C ASP A 50 16.554 -3.428 -8.506 1.00 64.22 C ATOM 812 O ASP A 50 16.259 -4.352 -9.277 1.00 61.02 O ATOM 813 CB ASP A 50 17.941 -5.145 -7.180 1.00 13.42 C ATOM 814 CG ASP A 50 19.131 -5.347 -6.233 1.00 62.13 C ATOM 815 OD1 ASP A 50 20.297 -5.238 -6.684 1.00 75.24 O ATOM 816 OD2 ASP A 50 18.913 -5.598 -5.030 1.00 22.25 O ATOM 0 H ASP A 50 17.677 -2.374 -5.678 1.00 11.22 H new ATOM 0 HA ASP A 50 18.453 -3.100 -7.612 1.00 34.34 H new ATOM 0 HB2 ASP A 50 17.083 -5.701 -6.802 1.00 13.42 H new ATOM 0 HB3 ASP A 50 18.185 -5.562 -8.157 1.00 13.42 H new ATOM 821 N GLY A 51 16.042 -2.186 -8.616 1.00 73.11 N ATOM 822 CA GLY A 51 15.163 -1.787 -9.718 1.00 20.45 C ATOM 823 C GLY A 51 13.714 -2.226 -9.542 1.00 74.32 C ATOM 824 O GLY A 51 12.902 -2.073 -10.460 1.00 72.21 O ATOM 0 H GLY A 51 16.228 -1.440 -7.945 1.00 73.11 H new ATOM 0 HA2 GLY A 51 15.194 -0.702 -9.820 1.00 20.45 H new ATOM 0 HA3 GLY A 51 15.549 -2.206 -10.647 1.00 20.45 H new ATOM 828 N THR A 52 13.380 -2.769 -8.363 1.00 11.22 N ATOM 829 CA THR A 52 12.013 -3.163 -8.005 1.00 12.12 C ATOM 830 C THR A 52 11.649 -2.537 -6.650 1.00 60.44 C ATOM 831 O THR A 52 12.457 -2.574 -5.729 1.00 64.45 O ATOM 832 CB THR A 52 11.896 -4.727 -7.943 1.00 62.41 C ATOM 833 OG1 THR A 52 12.230 -5.289 -9.228 1.00 4.22 O ATOM 834 CG2 THR A 52 10.493 -5.209 -7.530 1.00 15.34 C ATOM 0 H THR A 52 14.060 -2.948 -7.624 1.00 11.22 H new ATOM 0 HA THR A 52 11.318 -2.804 -8.764 1.00 12.12 H new ATOM 0 HB THR A 52 12.594 -5.066 -7.178 1.00 62.41 H new ATOM 0 HG1 THR A 52 12.158 -6.265 -9.187 1.00 4.22 H new ATOM 0 HG21 THR A 52 10.475 -6.299 -7.505 1.00 15.34 H new ATOM 0 HG22 THR A 52 10.251 -4.820 -6.541 1.00 15.34 H new ATOM 0 HG23 THR A 52 9.758 -4.851 -8.251 1.00 15.34 H new ATOM 842 N VAL A 53 10.427 -1.985 -6.524 1.00 40.23 N ATOM 843 CA VAL A 53 9.984 -1.300 -5.293 1.00 61.52 C ATOM 844 C VAL A 53 9.510 -2.333 -4.274 1.00 22.43 C ATOM 845 O VAL A 53 8.838 -3.300 -4.624 1.00 40.20 O ATOM 846 CB VAL A 53 8.812 -0.273 -5.566 1.00 21.11 C ATOM 847 CG1 VAL A 53 8.401 0.503 -4.281 1.00 14.45 C ATOM 848 CG2 VAL A 53 9.202 0.697 -6.686 1.00 44.24 C ATOM 0 H VAL A 53 9.725 -2.000 -7.264 1.00 40.23 H new ATOM 0 HA VAL A 53 10.838 -0.742 -4.908 1.00 61.52 H new ATOM 0 HB VAL A 53 7.942 -0.847 -5.884 1.00 21.11 H new ATOM 0 HG11 VAL A 53 7.594 1.196 -4.517 1.00 14.45 H new ATOM 0 HG12 VAL A 53 8.063 -0.203 -3.522 1.00 14.45 H new ATOM 0 HG13 VAL A 53 9.258 1.060 -3.902 1.00 14.45 H new ATOM 0 HG21 VAL A 53 8.385 1.397 -6.862 1.00 44.24 H new ATOM 0 HG22 VAL A 53 10.096 1.248 -6.395 1.00 44.24 H new ATOM 0 HG23 VAL A 53 9.402 0.137 -7.599 1.00 44.24 H new ATOM 858 N GLU A 54 9.896 -2.123 -3.021 1.00 75.12 N ATOM 859 CA GLU A 54 9.425 -2.897 -1.885 1.00 42.45 C ATOM 860 C GLU A 54 8.737 -1.931 -0.920 1.00 13.13 C ATOM 861 O GLU A 54 9.380 -1.047 -0.331 1.00 33.21 O ATOM 862 CB GLU A 54 10.604 -3.631 -1.206 1.00 14.20 C ATOM 863 CG GLU A 54 10.176 -4.570 -0.065 1.00 4.52 C ATOM 864 CD GLU A 54 11.346 -5.351 0.542 1.00 63.14 C ATOM 865 OE1 GLU A 54 11.961 -6.156 -0.178 1.00 73.33 O ATOM 866 OE2 GLU A 54 11.656 -5.174 1.736 1.00 41.42 O ATOM 0 H GLU A 54 10.560 -1.393 -2.764 1.00 75.12 H new ATOM 0 HA GLU A 54 8.718 -3.662 -2.205 1.00 42.45 H new ATOM 0 HB2 GLU A 54 11.141 -4.209 -1.958 1.00 14.20 H new ATOM 0 HB3 GLU A 54 11.302 -2.892 -0.813 1.00 14.20 H new ATOM 0 HG2 GLU A 54 9.693 -3.985 0.717 1.00 4.52 H new ATOM 0 HG3 GLU A 54 9.433 -5.274 -0.441 1.00 4.52 H new ATOM 873 N LEU A 55 7.421 -2.076 -0.824 1.00 72.14 N ATOM 874 CA LEU A 55 6.572 -1.291 0.063 1.00 15.53 C ATOM 875 C LEU A 55 6.399 -2.049 1.383 1.00 51.41 C ATOM 876 O LEU A 55 6.023 -3.226 1.391 1.00 51.50 O ATOM 877 CB LEU A 55 5.197 -1.040 -0.619 1.00 3.01 C ATOM 878 CG LEU A 55 4.060 -0.481 0.283 1.00 71.22 C ATOM 879 CD1 LEU A 55 4.399 0.917 0.844 1.00 64.12 C ATOM 880 CD2 LEU A 55 2.706 -0.503 -0.465 1.00 22.04 C ATOM 0 H LEU A 55 6.902 -2.760 -1.375 1.00 72.14 H new ATOM 0 HA LEU A 55 7.031 -0.324 0.269 1.00 15.53 H new ATOM 0 HB2 LEU A 55 5.349 -0.345 -1.445 1.00 3.01 H new ATOM 0 HB3 LEU A 55 4.856 -1.980 -1.053 1.00 3.01 H new ATOM 0 HG LEU A 55 3.967 -1.138 1.148 1.00 71.22 H new ATOM 0 HD11 LEU A 55 3.577 1.268 1.468 1.00 64.12 H new ATOM 0 HD12 LEU A 55 5.309 0.858 1.442 1.00 64.12 H new ATOM 0 HD13 LEU A 55 4.551 1.613 0.019 1.00 64.12 H new ATOM 0 HD21 LEU A 55 1.925 -0.108 0.185 1.00 22.04 H new ATOM 0 HD22 LEU A 55 2.776 0.111 -1.363 1.00 22.04 H new ATOM 0 HD23 LEU A 55 2.461 -1.528 -0.744 1.00 22.04 H new ATOM 892 N ARG A 56 6.685 -1.366 2.494 1.00 23.32 N ATOM 893 CA ARG A 56 6.529 -1.919 3.842 1.00 1.13 C ATOM 894 C ARG A 56 5.340 -1.218 4.507 1.00 1.43 C ATOM 895 O ARG A 56 5.427 -0.031 4.861 1.00 3.34 O ATOM 896 CB ARG A 56 7.828 -1.725 4.683 1.00 22.54 C ATOM 897 CG ARG A 56 9.143 -2.210 4.018 1.00 43.54 C ATOM 898 CD ARG A 56 9.076 -3.654 3.489 1.00 41.11 C ATOM 899 NE ARG A 56 8.633 -4.611 4.521 1.00 2.11 N ATOM 900 CZ ARG A 56 9.147 -5.829 4.729 1.00 25.13 C ATOM 901 NH1 ARG A 56 10.148 -6.291 3.983 1.00 61.53 N ATOM 902 NH2 ARG A 56 8.628 -6.592 5.676 1.00 1.15 N ATOM 0 H ARG A 56 7.034 -0.407 2.484 1.00 23.32 H new ATOM 0 HA ARG A 56 6.346 -2.992 3.782 1.00 1.13 H new ATOM 0 HB2 ARG A 56 7.931 -0.666 4.918 1.00 22.54 H new ATOM 0 HB3 ARG A 56 7.707 -2.251 5.630 1.00 22.54 H new ATOM 0 HG2 ARG A 56 9.390 -1.542 3.193 1.00 43.54 H new ATOM 0 HG3 ARG A 56 9.954 -2.136 4.742 1.00 43.54 H new ATOM 0 HD2 ARG A 56 8.392 -3.696 2.641 1.00 41.11 H new ATOM 0 HD3 ARG A 56 10.059 -3.949 3.121 1.00 41.11 H new ATOM 0 HE ARG A 56 7.868 -4.319 5.129 1.00 2.11 H new ATOM 0 HH11 ARG A 56 10.537 -5.714 3.237 1.00 61.53 H new ATOM 0 HH12 ARG A 56 10.526 -7.222 4.157 1.00 61.53 H new ATOM 0 HH21 ARG A 56 7.847 -6.250 6.236 1.00 1.15 H new ATOM 0 HH22 ARG A 56 9.009 -7.523 5.847 1.00 1.15 H new ATOM 916 N ILE A 57 4.217 -1.935 4.606 1.00 3.12 N ATOM 917 CA ILE A 57 3.001 -1.450 5.265 1.00 65.33 C ATOM 918 C ILE A 57 2.957 -1.972 6.702 1.00 43.41 C ATOM 919 O ILE A 57 3.288 -3.130 6.964 1.00 24.44 O ATOM 920 CB ILE A 57 1.708 -1.897 4.476 1.00 61.43 C ATOM 921 CG1 ILE A 57 1.628 -1.191 3.095 1.00 3.22 C ATOM 922 CG2 ILE A 57 0.400 -1.663 5.279 1.00 4.12 C ATOM 923 CD1 ILE A 57 1.494 0.329 3.169 1.00 74.15 C ATOM 0 H ILE A 57 4.126 -2.878 4.227 1.00 3.12 H new ATOM 0 HA ILE A 57 3.021 -0.360 5.276 1.00 65.33 H new ATOM 0 HB ILE A 57 1.799 -2.972 4.322 1.00 61.43 H new ATOM 0 HG12 ILE A 57 2.522 -1.437 2.523 1.00 3.22 H new ATOM 0 HG13 ILE A 57 0.777 -1.592 2.545 1.00 3.22 H new ATOM 0 HG21 ILE A 57 -0.454 -1.989 4.686 1.00 4.12 H new ATOM 0 HG22 ILE A 57 0.436 -2.233 6.207 1.00 4.12 H new ATOM 0 HG23 ILE A 57 0.299 -0.602 5.508 1.00 4.12 H new ATOM 0 HD11 ILE A 57 1.445 0.739 2.160 1.00 74.15 H new ATOM 0 HD12 ILE A 57 0.584 0.588 3.711 1.00 74.15 H new ATOM 0 HD13 ILE A 57 2.357 0.745 3.689 1.00 74.15 H new ATOM 935 N LYS A 58 2.591 -1.081 7.618 1.00 30.33 N ATOM 936 CA LYS A 58 2.350 -1.381 9.024 1.00 54.32 C ATOM 937 C LYS A 58 1.013 -0.744 9.413 1.00 34.15 C ATOM 938 O LYS A 58 0.913 0.480 9.483 1.00 63.25 O ATOM 939 CB LYS A 58 3.530 -0.832 9.883 1.00 64.25 C ATOM 940 CG LYS A 58 3.242 -0.700 11.398 1.00 42.32 C ATOM 941 CD LYS A 58 4.395 -0.034 12.185 1.00 62.23 C ATOM 942 CE LYS A 58 5.645 -0.918 12.295 1.00 50.02 C ATOM 943 NZ LYS A 58 5.421 -2.110 13.154 1.00 71.43 N ATOM 0 H LYS A 58 2.449 -0.096 7.393 1.00 30.33 H new ATOM 0 HA LYS A 58 2.296 -2.455 9.200 1.00 54.32 H new ATOM 0 HB2 LYS A 58 4.390 -1.488 9.750 1.00 64.25 H new ATOM 0 HB3 LYS A 58 3.813 0.147 9.497 1.00 64.25 H new ATOM 0 HG2 LYS A 58 2.332 -0.117 11.538 1.00 42.32 H new ATOM 0 HG3 LYS A 58 3.053 -1.690 11.812 1.00 42.32 H new ATOM 0 HD2 LYS A 58 4.663 0.904 11.699 1.00 62.23 H new ATOM 0 HD3 LYS A 58 4.045 0.215 13.187 1.00 62.23 H new ATOM 0 HE2 LYS A 58 5.946 -1.243 11.299 1.00 50.02 H new ATOM 0 HE3 LYS A 58 6.468 -0.330 12.701 1.00 50.02 H new ATOM 0 HZ1 LYS A 58 6.307 -2.648 13.239 1.00 71.43 H new ATOM 0 HZ2 LYS A 58 5.110 -1.804 14.098 1.00 71.43 H new ATOM 0 HZ3 LYS A 58 4.689 -2.713 12.727 1.00 71.43 H new ATOM 957 N VAL A 59 -0.023 -1.558 9.607 1.00 35.25 N ATOM 958 CA VAL A 59 -1.326 -1.083 10.091 1.00 12.54 C ATOM 959 C VAL A 59 -1.506 -1.538 11.546 1.00 35.34 C ATOM 960 O VAL A 59 -1.681 -2.729 11.817 1.00 44.13 O ATOM 961 CB VAL A 59 -2.517 -1.599 9.198 1.00 0.42 C ATOM 962 CG1 VAL A 59 -3.875 -1.111 9.750 1.00 34.20 C ATOM 963 CG2 VAL A 59 -2.329 -1.172 7.723 1.00 11.33 C ATOM 0 H VAL A 59 0.013 -2.563 9.435 1.00 35.25 H new ATOM 0 HA VAL A 59 -1.342 0.005 10.032 1.00 12.54 H new ATOM 0 HB VAL A 59 -2.515 -2.688 9.233 1.00 0.42 H new ATOM 0 HG11 VAL A 59 -4.680 -1.481 9.115 1.00 34.20 H new ATOM 0 HG12 VAL A 59 -4.011 -1.486 10.764 1.00 34.20 H new ATOM 0 HG13 VAL A 59 -3.893 -0.021 9.760 1.00 34.20 H new ATOM 0 HG21 VAL A 59 -3.165 -1.541 7.128 1.00 11.33 H new ATOM 0 HG22 VAL A 59 -2.292 -0.084 7.661 1.00 11.33 H new ATOM 0 HG23 VAL A 59 -1.398 -1.590 7.339 1.00 11.33 H new ATOM 973 N LYS A 60 -1.405 -0.587 12.476 1.00 2.34 N ATOM 974 CA LYS A 60 -1.701 -0.811 13.889 1.00 34.32 C ATOM 975 C LYS A 60 -3.188 -0.507 14.106 1.00 3.01 C ATOM 976 O LYS A 60 -3.601 0.647 14.010 1.00 22.42 O ATOM 977 CB LYS A 60 -0.804 0.106 14.771 1.00 11.24 C ATOM 978 CG LYS A 60 -0.875 -0.172 16.293 1.00 54.44 C ATOM 979 CD LYS A 60 0.031 0.774 17.125 1.00 70.13 C ATOM 980 CE LYS A 60 -0.451 2.234 17.125 1.00 3.22 C ATOM 981 NZ LYS A 60 -1.814 2.379 17.712 1.00 34.12 N ATOM 0 H LYS A 60 -1.113 0.368 12.266 1.00 2.34 H new ATOM 0 HA LYS A 60 -1.492 -1.842 14.173 1.00 34.32 H new ATOM 0 HB2 LYS A 60 0.231 -0.003 14.446 1.00 11.24 H new ATOM 0 HB3 LYS A 60 -1.087 1.144 14.593 1.00 11.24 H new ATOM 0 HG2 LYS A 60 -1.907 -0.066 16.628 1.00 54.44 H new ATOM 0 HG3 LYS A 60 -0.583 -1.205 16.482 1.00 54.44 H new ATOM 0 HD2 LYS A 60 0.074 0.413 18.153 1.00 70.13 H new ATOM 0 HD3 LYS A 60 1.046 0.734 16.730 1.00 70.13 H new ATOM 0 HE2 LYS A 60 0.252 2.847 17.689 1.00 3.22 H new ATOM 0 HE3 LYS A 60 -0.456 2.613 16.103 1.00 3.22 H new ATOM 0 HZ1 LYS A 60 -2.436 2.860 17.031 1.00 34.12 H new ATOM 0 HZ2 LYS A 60 -2.200 1.438 17.929 1.00 34.12 H new ATOM 0 HZ3 LYS A 60 -1.758 2.940 18.586 1.00 34.12 H new ATOM 995 N ALA A 61 -3.979 -1.545 14.373 1.00 52.32 N ATOM 996 CA ALA A 61 -5.436 -1.446 14.551 1.00 61.14 C ATOM 997 C ALA A 61 -5.857 -2.401 15.667 1.00 55.21 C ATOM 998 O ALA A 61 -5.069 -3.254 16.076 1.00 22.24 O ATOM 999 CB ALA A 61 -6.162 -1.757 13.230 1.00 53.21 C ATOM 0 H ALA A 61 -3.625 -2.496 14.474 1.00 52.32 H new ATOM 0 HA ALA A 61 -5.712 -0.430 14.834 1.00 61.14 H new ATOM 0 HB1 ALA A 61 -7.239 -1.679 13.380 1.00 53.21 H new ATOM 0 HB2 ALA A 61 -5.849 -1.045 12.467 1.00 53.21 H new ATOM 0 HB3 ALA A 61 -5.913 -2.768 12.907 1.00 53.21 H new ATOM 1005 N ASP A 62 -7.101 -2.260 16.144 1.00 50.42 N ATOM 1006 CA ASP A 62 -7.609 -3.020 17.301 1.00 0.45 C ATOM 1007 C ASP A 62 -7.596 -4.538 17.010 1.00 43.02 C ATOM 1008 O ASP A 62 -6.883 -5.294 17.680 1.00 15.13 O ATOM 1009 CB ASP A 62 -9.030 -2.534 17.678 1.00 42.43 C ATOM 1010 CG ASP A 62 -9.620 -3.235 18.924 1.00 10.21 C ATOM 1011 OD1 ASP A 62 -9.289 -2.832 20.057 1.00 71.52 O ATOM 1012 OD2 ASP A 62 -10.402 -4.199 18.773 1.00 52.44 O ATOM 0 H ASP A 62 -7.784 -1.618 15.742 1.00 50.42 H new ATOM 0 HA ASP A 62 -6.951 -2.842 18.151 1.00 0.45 H new ATOM 0 HB2 ASP A 62 -9.000 -1.459 17.857 1.00 42.43 H new ATOM 0 HB3 ASP A 62 -9.696 -2.698 16.831 1.00 42.43 H new ATOM 1017 N THR A 63 -8.372 -4.964 15.991 1.00 11.53 N ATOM 1018 CA THR A 63 -8.486 -6.387 15.589 1.00 52.45 C ATOM 1019 C THR A 63 -7.840 -6.648 14.209 1.00 34.22 C ATOM 1020 O THR A 63 -7.722 -5.730 13.372 1.00 52.11 O ATOM 1021 CB THR A 63 -9.985 -6.837 15.560 1.00 4.32 C ATOM 1022 OG1 THR A 63 -10.771 -5.844 14.890 1.00 23.54 O ATOM 1023 CG2 THR A 63 -10.559 -7.083 16.968 1.00 74.01 C ATOM 0 H THR A 63 -8.938 -4.334 15.423 1.00 11.53 H new ATOM 0 HA THR A 63 -7.947 -6.973 16.334 1.00 52.45 H new ATOM 0 HB THR A 63 -10.027 -7.785 15.023 1.00 4.32 H new ATOM 0 HG1 THR A 63 -11.709 -6.127 14.871 1.00 23.54 H new ATOM 0 HG21 THR A 63 -11.601 -7.393 16.887 1.00 74.01 H new ATOM 0 HG22 THR A 63 -9.985 -7.866 17.463 1.00 74.01 H new ATOM 0 HG23 THR A 63 -10.498 -6.164 17.552 1.00 74.01 H new ATOM 1031 N GLU A 64 -7.452 -7.930 13.988 1.00 71.11 N ATOM 1032 CA GLU A 64 -6.777 -8.391 12.757 1.00 74.14 C ATOM 1033 C GLU A 64 -7.613 -8.094 11.488 1.00 13.03 C ATOM 1034 O GLU A 64 -7.092 -7.533 10.534 1.00 14.00 O ATOM 1035 CB GLU A 64 -6.433 -9.909 12.855 1.00 62.32 C ATOM 1036 CG GLU A 64 -7.630 -10.821 13.188 1.00 34.14 C ATOM 1037 CD GLU A 64 -7.368 -12.309 12.929 1.00 32.30 C ATOM 1038 OE1 GLU A 64 -7.544 -12.753 11.781 1.00 72.32 O ATOM 1039 OE2 GLU A 64 -7.007 -13.042 13.858 1.00 25.11 O ATOM 0 H GLU A 64 -7.602 -8.676 14.668 1.00 71.11 H new ATOM 0 HA GLU A 64 -5.848 -7.829 12.666 1.00 74.14 H new ATOM 0 HB2 GLU A 64 -6.001 -10.231 11.908 1.00 62.32 H new ATOM 0 HB3 GLU A 64 -5.667 -10.045 13.618 1.00 62.32 H new ATOM 0 HG2 GLU A 64 -7.896 -10.686 14.236 1.00 34.14 H new ATOM 0 HG3 GLU A 64 -8.490 -10.505 12.597 1.00 34.14 H new ATOM 1046 N GLU A 65 -8.919 -8.417 11.547 1.00 63.21 N ATOM 1047 CA GLU A 65 -9.877 -8.285 10.422 1.00 72.44 C ATOM 1048 C GLU A 65 -9.901 -6.855 9.855 1.00 60.34 C ATOM 1049 O GLU A 65 -9.755 -6.635 8.639 1.00 1.42 O ATOM 1050 CB GLU A 65 -11.287 -8.675 10.933 1.00 21.40 C ATOM 1051 CG GLU A 65 -12.439 -8.492 9.930 1.00 74.44 C ATOM 1052 CD GLU A 65 -13.817 -8.671 10.578 1.00 21.14 C ATOM 1053 OE1 GLU A 65 -14.211 -9.829 10.847 1.00 72.44 O ATOM 1054 OE2 GLU A 65 -14.499 -7.655 10.859 1.00 44.43 O ATOM 0 H GLU A 65 -9.351 -8.785 12.394 1.00 63.21 H new ATOM 0 HA GLU A 65 -9.563 -8.946 9.614 1.00 72.44 H new ATOM 0 HB2 GLU A 65 -11.264 -9.720 11.244 1.00 21.40 H new ATOM 0 HB3 GLU A 65 -11.507 -8.083 11.821 1.00 21.40 H new ATOM 0 HG2 GLU A 65 -12.376 -7.498 9.487 1.00 74.44 H new ATOM 0 HG3 GLU A 65 -12.327 -9.211 9.118 1.00 74.44 H new ATOM 1061 N LYS A 66 -10.047 -5.892 10.770 1.00 15.10 N ATOM 1062 CA LYS A 66 -10.179 -4.473 10.423 1.00 50.43 C ATOM 1063 C LYS A 66 -8.848 -3.942 9.874 1.00 43.14 C ATOM 1064 O LYS A 66 -8.838 -3.141 8.937 1.00 32.11 O ATOM 1065 CB LYS A 66 -10.640 -3.669 11.665 1.00 74.05 C ATOM 1066 CG LYS A 66 -11.920 -4.235 12.326 1.00 21.53 C ATOM 1067 CD LYS A 66 -12.452 -3.375 13.500 1.00 1.45 C ATOM 1068 CE LYS A 66 -13.044 -2.033 13.047 1.00 44.14 C ATOM 1069 NZ LYS A 66 -13.686 -1.298 14.171 1.00 64.12 N ATOM 0 H LYS A 66 -10.077 -6.074 11.773 1.00 15.10 H new ATOM 0 HA LYS A 66 -10.934 -4.356 9.645 1.00 50.43 H new ATOM 0 HB2 LYS A 66 -9.835 -3.658 12.400 1.00 74.05 H new ATOM 0 HB3 LYS A 66 -10.819 -2.634 11.372 1.00 74.05 H new ATOM 0 HG2 LYS A 66 -12.700 -4.322 11.570 1.00 21.53 H new ATOM 0 HG3 LYS A 66 -11.715 -5.242 12.690 1.00 21.53 H new ATOM 0 HD2 LYS A 66 -13.215 -3.938 14.038 1.00 1.45 H new ATOM 0 HD3 LYS A 66 -11.640 -3.188 14.202 1.00 1.45 H new ATOM 0 HE2 LYS A 66 -12.256 -1.417 12.614 1.00 44.14 H new ATOM 0 HE3 LYS A 66 -13.779 -2.208 12.262 1.00 44.14 H new ATOM 0 HZ1 LYS A 66 -14.072 -0.398 13.821 1.00 64.12 H new ATOM 0 HZ2 LYS A 66 -14.455 -1.874 14.568 1.00 64.12 H new ATOM 0 HZ3 LYS A 66 -12.979 -1.108 14.910 1.00 64.12 H new ATOM 1083 N ALA A 67 -7.736 -4.428 10.455 1.00 24.13 N ATOM 1084 CA ALA A 67 -6.374 -4.090 10.012 1.00 5.54 C ATOM 1085 C ALA A 67 -6.090 -4.581 8.570 1.00 4.41 C ATOM 1086 O ALA A 67 -5.469 -3.869 7.771 1.00 75.02 O ATOM 1087 CB ALA A 67 -5.366 -4.678 11.003 1.00 42.24 C ATOM 0 H ALA A 67 -7.759 -5.069 11.248 1.00 24.13 H new ATOM 0 HA ALA A 67 -6.276 -3.005 9.991 1.00 5.54 H new ATOM 0 HB1 ALA A 67 -4.354 -4.432 10.682 1.00 42.24 H new ATOM 0 HB2 ALA A 67 -5.544 -4.260 11.994 1.00 42.24 H new ATOM 0 HB3 ALA A 67 -5.482 -5.761 11.040 1.00 42.24 H new ATOM 1093 N LYS A 68 -6.576 -5.797 8.255 1.00 33.13 N ATOM 1094 CA LYS A 68 -6.397 -6.433 6.932 1.00 61.43 C ATOM 1095 C LYS A 68 -7.216 -5.709 5.854 1.00 12.15 C ATOM 1096 O LYS A 68 -6.789 -5.631 4.695 1.00 44.01 O ATOM 1097 CB LYS A 68 -6.833 -7.921 6.976 1.00 35.43 C ATOM 1098 CG LYS A 68 -6.035 -8.825 7.931 1.00 61.01 C ATOM 1099 CD LYS A 68 -4.556 -8.995 7.548 1.00 23.43 C ATOM 1100 CE LYS A 68 -3.844 -9.983 8.485 1.00 20.33 C ATOM 1101 NZ LYS A 68 -4.536 -11.306 8.543 1.00 14.31 N ATOM 0 H LYS A 68 -7.106 -6.369 8.912 1.00 33.13 H new ATOM 0 HA LYS A 68 -5.338 -6.368 6.682 1.00 61.43 H new ATOM 0 HB2 LYS A 68 -7.885 -7.964 7.260 1.00 35.43 H new ATOM 0 HB3 LYS A 68 -6.758 -8.332 5.969 1.00 35.43 H new ATOM 0 HG2 LYS A 68 -6.093 -8.412 8.938 1.00 61.01 H new ATOM 0 HG3 LYS A 68 -6.506 -9.807 7.962 1.00 61.01 H new ATOM 0 HD2 LYS A 68 -4.483 -9.350 6.520 1.00 23.43 H new ATOM 0 HD3 LYS A 68 -4.055 -8.028 7.588 1.00 23.43 H new ATOM 0 HE2 LYS A 68 -2.818 -10.126 8.147 1.00 20.33 H new ATOM 0 HE3 LYS A 68 -3.793 -9.558 9.487 1.00 20.33 H new ATOM 0 HZ1 LYS A 68 -3.896 -12.015 8.956 1.00 14.31 H new ATOM 0 HZ2 LYS A 68 -5.390 -11.226 9.132 1.00 14.31 H new ATOM 0 HZ3 LYS A 68 -4.804 -11.600 7.582 1.00 14.31 H new ATOM 1115 N SER A 69 -8.410 -5.225 6.241 1.00 1.13 N ATOM 1116 CA SER A 69 -9.308 -4.471 5.345 1.00 3.33 C ATOM 1117 C SER A 69 -8.589 -3.224 4.787 1.00 42.12 C ATOM 1118 O SER A 69 -8.628 -2.946 3.586 1.00 61.31 O ATOM 1119 CB SER A 69 -10.589 -4.069 6.109 1.00 32.24 C ATOM 1120 OG SER A 69 -11.513 -3.396 5.269 1.00 71.12 O ATOM 0 H SER A 69 -8.780 -5.345 7.184 1.00 1.13 H new ATOM 0 HA SER A 69 -9.587 -5.105 4.503 1.00 3.33 H new ATOM 0 HB2 SER A 69 -11.059 -4.960 6.526 1.00 32.24 H new ATOM 0 HB3 SER A 69 -10.325 -3.426 6.948 1.00 32.24 H new ATOM 0 HG SER A 69 -12.003 -2.727 5.792 1.00 71.12 H new ATOM 1126 N ILE A 70 -7.882 -2.539 5.691 1.00 50.02 N ATOM 1127 CA ILE A 70 -7.074 -1.343 5.388 1.00 71.30 C ATOM 1128 C ILE A 70 -5.937 -1.681 4.402 1.00 43.02 C ATOM 1129 O ILE A 70 -5.732 -0.964 3.414 1.00 0.35 O ATOM 1130 CB ILE A 70 -6.492 -0.766 6.727 1.00 52.51 C ATOM 1131 CG1 ILE A 70 -7.667 -0.413 7.696 1.00 2.12 C ATOM 1132 CG2 ILE A 70 -5.565 0.451 6.478 1.00 52.20 C ATOM 1133 CD1 ILE A 70 -7.258 -0.193 9.132 1.00 54.03 C ATOM 0 H ILE A 70 -7.852 -2.802 6.676 1.00 50.02 H new ATOM 0 HA ILE A 70 -7.708 -0.593 4.914 1.00 71.30 H new ATOM 0 HB ILE A 70 -5.870 -1.529 7.194 1.00 52.51 H new ATOM 0 HG12 ILE A 70 -8.162 0.487 7.332 1.00 2.12 H new ATOM 0 HG13 ILE A 70 -8.402 -1.217 7.661 1.00 2.12 H new ATOM 0 HG21 ILE A 70 -5.184 0.819 7.431 1.00 52.20 H new ATOM 0 HG22 ILE A 70 -4.730 0.149 5.846 1.00 52.20 H new ATOM 0 HG23 ILE A 70 -6.128 1.242 5.982 1.00 52.20 H new ATOM 0 HD11 ILE A 70 -8.138 0.046 9.728 1.00 54.03 H new ATOM 0 HD12 ILE A 70 -6.792 -1.099 9.520 1.00 54.03 H new ATOM 0 HD13 ILE A 70 -6.548 0.632 9.186 1.00 54.03 H new ATOM 1145 N ILE A 71 -5.234 -2.800 4.681 1.00 44.14 N ATOM 1146 CA ILE A 71 -4.152 -3.321 3.821 1.00 50.41 C ATOM 1147 C ILE A 71 -4.669 -3.587 2.394 1.00 21.21 C ATOM 1148 O ILE A 71 -4.027 -3.201 1.414 1.00 24.33 O ATOM 1149 CB ILE A 71 -3.537 -4.651 4.406 1.00 23.35 C ATOM 1150 CG1 ILE A 71 -2.866 -4.393 5.791 1.00 62.54 C ATOM 1151 CG2 ILE A 71 -2.538 -5.308 3.415 1.00 51.44 C ATOM 1152 CD1 ILE A 71 -2.293 -5.634 6.452 1.00 21.55 C ATOM 0 H ILE A 71 -5.402 -3.368 5.511 1.00 44.14 H new ATOM 0 HA ILE A 71 -3.373 -2.559 3.790 1.00 50.41 H new ATOM 0 HB ILE A 71 -4.358 -5.354 4.552 1.00 23.35 H new ATOM 0 HG12 ILE A 71 -2.067 -3.663 5.663 1.00 62.54 H new ATOM 0 HG13 ILE A 71 -3.602 -3.947 6.460 1.00 62.54 H new ATOM 0 HG21 ILE A 71 -2.137 -6.221 3.855 1.00 51.44 H new ATOM 0 HG22 ILE A 71 -3.053 -5.549 2.485 1.00 51.44 H new ATOM 0 HG23 ILE A 71 -1.722 -4.616 3.208 1.00 51.44 H new ATOM 0 HD11 ILE A 71 -1.847 -5.363 7.409 1.00 21.55 H new ATOM 0 HD12 ILE A 71 -3.090 -6.360 6.616 1.00 21.55 H new ATOM 0 HD13 ILE A 71 -1.531 -6.071 5.807 1.00 21.55 H new ATOM 1164 N LYS A 72 -5.857 -4.220 2.297 1.00 73.03 N ATOM 1165 CA LYS A 72 -6.431 -4.635 1.007 1.00 41.41 C ATOM 1166 C LYS A 72 -6.818 -3.395 0.181 1.00 21.23 C ATOM 1167 O LYS A 72 -6.650 -3.384 -1.036 1.00 62.24 O ATOM 1168 CB LYS A 72 -7.663 -5.576 1.195 1.00 24.40 C ATOM 1169 CG LYS A 72 -7.861 -6.589 0.031 1.00 74.14 C ATOM 1170 CD LYS A 72 -6.809 -7.731 0.072 1.00 32.01 C ATOM 1171 CE LYS A 72 -6.701 -8.527 -1.238 1.00 23.32 C ATOM 1172 NZ LYS A 72 -6.130 -7.715 -2.347 1.00 21.02 N ATOM 0 H LYS A 72 -6.437 -4.454 3.103 1.00 73.03 H new ATOM 0 HA LYS A 72 -5.671 -5.202 0.469 1.00 41.41 H new ATOM 0 HB2 LYS A 72 -7.549 -6.127 2.129 1.00 24.40 H new ATOM 0 HB3 LYS A 72 -8.562 -4.967 1.292 1.00 24.40 H new ATOM 0 HG2 LYS A 72 -8.862 -7.016 0.087 1.00 74.14 H new ATOM 0 HG3 LYS A 72 -7.791 -6.065 -0.922 1.00 74.14 H new ATOM 0 HD2 LYS A 72 -5.834 -7.305 0.308 1.00 32.01 H new ATOM 0 HD3 LYS A 72 -7.062 -8.416 0.882 1.00 32.01 H new ATOM 0 HE2 LYS A 72 -6.077 -9.406 -1.076 1.00 23.32 H new ATOM 0 HE3 LYS A 72 -7.689 -8.886 -1.525 1.00 23.32 H new ATOM 0 HZ1 LYS A 72 -6.014 -8.312 -3.190 1.00 21.02 H new ATOM 0 HZ2 LYS A 72 -6.772 -6.927 -2.567 1.00 21.02 H new ATOM 0 HZ3 LYS A 72 -5.205 -7.337 -2.060 1.00 21.02 H new ATOM 1186 N LEU A 73 -7.311 -2.346 0.876 1.00 4.34 N ATOM 1187 CA LEU A 73 -7.611 -1.038 0.256 1.00 34.11 C ATOM 1188 C LEU A 73 -6.336 -0.427 -0.371 1.00 63.24 C ATOM 1189 O LEU A 73 -6.373 0.047 -1.510 1.00 34.43 O ATOM 1190 CB LEU A 73 -8.256 -0.048 1.292 1.00 14.21 C ATOM 1191 CG LEU A 73 -9.823 0.004 1.344 1.00 4.03 C ATOM 1192 CD1 LEU A 73 -10.444 -1.383 1.593 1.00 2.01 C ATOM 1193 CD2 LEU A 73 -10.302 1.039 2.398 1.00 34.20 C ATOM 0 H LEU A 73 -7.511 -2.382 1.876 1.00 4.34 H new ATOM 0 HA LEU A 73 -8.339 -1.203 -0.538 1.00 34.11 H new ATOM 0 HB2 LEU A 73 -7.892 -0.312 2.285 1.00 14.21 H new ATOM 0 HB3 LEU A 73 -7.890 0.956 1.075 1.00 14.21 H new ATOM 0 HG LEU A 73 -10.172 0.329 0.364 1.00 4.03 H new ATOM 0 HD11 LEU A 73 -11.530 -1.296 1.621 1.00 2.01 H new ATOM 0 HD12 LEU A 73 -10.155 -2.061 0.790 1.00 2.01 H new ATOM 0 HD13 LEU A 73 -10.087 -1.776 2.545 1.00 2.01 H new ATOM 0 HD21 LEU A 73 -11.392 1.060 2.418 1.00 34.20 H new ATOM 0 HD22 LEU A 73 -9.926 0.757 3.382 1.00 34.20 H new ATOM 0 HD23 LEU A 73 -9.925 2.027 2.135 1.00 34.20 H new ATOM 1205 N ILE A 74 -5.216 -0.488 0.377 1.00 64.24 N ATOM 1206 CA ILE A 74 -3.892 -0.019 -0.085 1.00 41.32 C ATOM 1207 C ILE A 74 -3.470 -0.772 -1.372 1.00 23.41 C ATOM 1208 O ILE A 74 -3.109 -0.140 -2.367 1.00 31.32 O ATOM 1209 CB ILE A 74 -2.811 -0.195 1.059 1.00 73.53 C ATOM 1210 CG1 ILE A 74 -3.179 0.693 2.301 1.00 63.43 C ATOM 1211 CG2 ILE A 74 -1.380 0.104 0.554 1.00 31.33 C ATOM 1212 CD1 ILE A 74 -2.286 0.516 3.520 1.00 72.45 C ATOM 0 H ILE A 74 -5.204 -0.866 1.324 1.00 64.24 H new ATOM 0 HA ILE A 74 -3.961 1.043 -0.322 1.00 41.32 H new ATOM 0 HB ILE A 74 -2.821 -1.240 1.369 1.00 73.53 H new ATOM 0 HG12 ILE A 74 -3.149 1.740 1.999 1.00 63.43 H new ATOM 0 HG13 ILE A 74 -4.207 0.474 2.590 1.00 63.43 H new ATOM 0 HG21 ILE A 74 -0.671 -0.029 1.371 1.00 31.33 H new ATOM 0 HG22 ILE A 74 -1.131 -0.579 -0.258 1.00 31.33 H new ATOM 0 HG23 ILE A 74 -1.329 1.131 0.193 1.00 31.33 H new ATOM 0 HD11 ILE A 74 -2.627 1.174 4.319 1.00 72.45 H new ATOM 0 HD12 ILE A 74 -2.333 -0.519 3.858 1.00 72.45 H new ATOM 0 HD13 ILE A 74 -1.258 0.766 3.257 1.00 72.45 H new ATOM 1224 N GLU A 75 -3.588 -2.111 -1.337 1.00 55.05 N ATOM 1225 CA GLU A 75 -3.224 -3.009 -2.459 1.00 51.24 C ATOM 1226 C GLU A 75 -3.957 -2.640 -3.759 1.00 34.43 C ATOM 1227 O GLU A 75 -3.326 -2.386 -4.788 1.00 71.20 O ATOM 1228 CB GLU A 75 -3.569 -4.472 -2.095 1.00 30.22 C ATOM 1229 CG GLU A 75 -2.764 -5.062 -0.926 1.00 44.21 C ATOM 1230 CD GLU A 75 -3.254 -6.466 -0.546 1.00 24.43 C ATOM 1231 OE1 GLU A 75 -3.273 -7.356 -1.430 1.00 63.21 O ATOM 1232 OE2 GLU A 75 -3.652 -6.683 0.614 1.00 10.21 O ATOM 0 H GLU A 75 -3.942 -2.611 -0.521 1.00 55.05 H new ATOM 0 HA GLU A 75 -2.153 -2.895 -2.625 1.00 51.24 H new ATOM 0 HB2 GLU A 75 -4.630 -4.528 -1.850 1.00 30.22 H new ATOM 0 HB3 GLU A 75 -3.412 -5.096 -2.975 1.00 30.22 H new ATOM 0 HG2 GLU A 75 -1.709 -5.106 -1.197 1.00 44.21 H new ATOM 0 HG3 GLU A 75 -2.843 -4.403 -0.061 1.00 44.21 H new ATOM 1239 N GLU A 76 -5.294 -2.589 -3.676 1.00 44.42 N ATOM 1240 CA GLU A 76 -6.164 -2.389 -4.846 1.00 11.42 C ATOM 1241 C GLU A 76 -5.987 -0.987 -5.451 1.00 60.11 C ATOM 1242 O GLU A 76 -6.032 -0.825 -6.669 1.00 45.40 O ATOM 1243 CB GLU A 76 -7.647 -2.623 -4.467 1.00 3.25 C ATOM 1244 CG GLU A 76 -7.949 -3.989 -3.821 1.00 11.03 C ATOM 1245 CD GLU A 76 -7.461 -5.194 -4.641 1.00 34.11 C ATOM 1246 OE1 GLU A 76 -8.167 -5.604 -5.583 1.00 13.32 O ATOM 1247 OE2 GLU A 76 -6.375 -5.748 -4.341 1.00 24.35 O ATOM 0 H GLU A 76 -5.803 -2.685 -2.797 1.00 44.42 H new ATOM 0 HA GLU A 76 -5.870 -3.119 -5.601 1.00 11.42 H new ATOM 0 HB2 GLU A 76 -7.959 -1.837 -3.780 1.00 3.25 H new ATOM 0 HB3 GLU A 76 -8.256 -2.521 -5.365 1.00 3.25 H new ATOM 0 HG2 GLU A 76 -7.485 -4.023 -2.835 1.00 11.03 H new ATOM 0 HG3 GLU A 76 -9.025 -4.078 -3.671 1.00 11.03 H new ATOM 1254 N ARG A 77 -5.775 0.013 -4.584 1.00 55.14 N ATOM 1255 CA ARG A 77 -5.631 1.418 -5.000 1.00 74.44 C ATOM 1256 C ARG A 77 -4.277 1.669 -5.692 1.00 72.02 C ATOM 1257 O ARG A 77 -4.237 2.304 -6.756 1.00 11.11 O ATOM 1258 CB ARG A 77 -5.803 2.362 -3.781 1.00 64.44 C ATOM 1259 CG ARG A 77 -7.249 2.522 -3.281 1.00 72.42 C ATOM 1260 CD ARG A 77 -8.165 3.200 -4.311 1.00 1.45 C ATOM 1261 NE ARG A 77 -9.539 3.325 -3.811 1.00 52.25 N ATOM 1262 CZ ARG A 77 -10.617 3.636 -4.545 1.00 22.11 C ATOM 1263 NH1 ARG A 77 -10.525 3.857 -5.857 1.00 53.10 N ATOM 1264 NH2 ARG A 77 -11.793 3.711 -3.948 1.00 52.35 N ATOM 0 H ARG A 77 -5.698 -0.127 -3.577 1.00 55.14 H new ATOM 0 HA ARG A 77 -6.416 1.632 -5.725 1.00 74.44 H new ATOM 0 HB2 ARG A 77 -5.190 1.987 -2.961 1.00 64.44 H new ATOM 0 HB3 ARG A 77 -5.415 3.346 -4.045 1.00 64.44 H new ATOM 0 HG2 ARG A 77 -7.653 1.541 -3.033 1.00 72.42 H new ATOM 0 HG3 ARG A 77 -7.248 3.108 -2.362 1.00 72.42 H new ATOM 0 HD2 ARG A 77 -7.774 4.188 -4.552 1.00 1.45 H new ATOM 0 HD3 ARG A 77 -8.165 2.622 -5.235 1.00 1.45 H new ATOM 0 HE ARG A 77 -9.687 3.160 -2.815 1.00 52.25 H new ATOM 0 HH11 ARG A 77 -9.620 3.791 -6.323 1.00 53.10 H new ATOM 0 HH12 ARG A 77 -11.359 4.092 -6.394 1.00 53.10 H new ATOM 0 HH21 ARG A 77 -11.869 3.534 -2.946 1.00 52.35 H new ATOM 0 HH22 ARG A 77 -12.625 3.946 -4.489 1.00 52.35 H new ATOM 1278 N ILE A 78 -3.165 1.189 -5.078 1.00 21.34 N ATOM 1279 CA ILE A 78 -1.810 1.398 -5.643 1.00 74.25 C ATOM 1280 C ILE A 78 -1.687 0.635 -6.975 1.00 1.13 C ATOM 1281 O ILE A 78 -1.125 1.152 -7.932 1.00 53.32 O ATOM 1282 CB ILE A 78 -0.637 1.013 -4.656 1.00 4.04 C ATOM 1283 CG1 ILE A 78 -0.603 -0.520 -4.347 1.00 42.12 C ATOM 1284 CG2 ILE A 78 -0.736 1.838 -3.349 1.00 4.53 C ATOM 1285 CD1 ILE A 78 0.549 -0.980 -3.465 1.00 34.32 C ATOM 0 H ILE A 78 -3.180 0.662 -4.205 1.00 21.34 H new ATOM 0 HA ILE A 78 -1.698 2.469 -5.814 1.00 74.25 H new ATOM 0 HB ILE A 78 0.301 1.257 -5.155 1.00 4.04 H new ATOM 0 HG12 ILE A 78 -1.541 -0.798 -3.866 1.00 42.12 H new ATOM 0 HG13 ILE A 78 -0.556 -1.063 -5.291 1.00 42.12 H new ATOM 0 HG21 ILE A 78 0.079 1.560 -2.681 1.00 4.53 H new ATOM 0 HG22 ILE A 78 -0.667 2.900 -3.583 1.00 4.53 H new ATOM 0 HG23 ILE A 78 -1.690 1.635 -2.862 1.00 4.53 H new ATOM 0 HD11 ILE A 78 0.482 -2.057 -3.311 1.00 34.32 H new ATOM 0 HD12 ILE A 78 1.496 -0.741 -3.949 1.00 34.32 H new ATOM 0 HD13 ILE A 78 0.496 -0.472 -2.502 1.00 34.32 H new ATOM 1297 N GLU A 79 -2.282 -0.575 -7.024 1.00 4.22 N ATOM 1298 CA GLU A 79 -2.398 -1.387 -8.250 1.00 63.41 C ATOM 1299 C GLU A 79 -3.163 -0.612 -9.339 1.00 74.51 C ATOM 1300 O GLU A 79 -2.752 -0.589 -10.500 1.00 24.03 O ATOM 1301 CB GLU A 79 -3.131 -2.723 -7.931 1.00 24.12 C ATOM 1302 CG GLU A 79 -3.505 -3.590 -9.155 1.00 24.43 C ATOM 1303 CD GLU A 79 -4.302 -4.849 -8.775 1.00 45.45 C ATOM 1304 OE1 GLU A 79 -5.350 -4.708 -8.109 1.00 52.13 O ATOM 1305 OE2 GLU A 79 -3.898 -5.977 -9.137 1.00 74.04 O ATOM 0 H GLU A 79 -2.699 -1.018 -6.205 1.00 4.22 H new ATOM 0 HA GLU A 79 -1.397 -1.607 -8.620 1.00 63.41 H new ATOM 0 HB2 GLU A 79 -2.498 -3.315 -7.269 1.00 24.12 H new ATOM 0 HB3 GLU A 79 -4.042 -2.493 -7.379 1.00 24.12 H new ATOM 0 HG2 GLU A 79 -4.091 -2.992 -9.852 1.00 24.43 H new ATOM 0 HG3 GLU A 79 -2.595 -3.886 -9.676 1.00 24.43 H new ATOM 1312 N GLU A 80 -4.267 0.037 -8.922 1.00 32.32 N ATOM 1313 CA GLU A 80 -5.185 0.746 -9.825 1.00 65.51 C ATOM 1314 C GLU A 80 -4.471 1.893 -10.559 1.00 11.12 C ATOM 1315 O GLU A 80 -4.282 1.821 -11.770 1.00 1.45 O ATOM 1316 CB GLU A 80 -6.431 1.242 -9.029 1.00 13.03 C ATOM 1317 CG GLU A 80 -7.566 1.831 -9.882 1.00 1.11 C ATOM 1318 CD GLU A 80 -8.891 1.996 -9.109 1.00 54.41 C ATOM 1319 OE1 GLU A 80 -9.009 2.938 -8.302 1.00 24.53 O ATOM 1320 OE2 GLU A 80 -9.823 1.186 -9.311 1.00 23.43 O ATOM 0 H GLU A 80 -4.546 0.083 -7.942 1.00 32.32 H new ATOM 0 HA GLU A 80 -5.529 0.055 -10.594 1.00 65.51 H new ATOM 0 HB2 GLU A 80 -6.829 0.407 -8.452 1.00 13.03 H new ATOM 0 HB3 GLU A 80 -6.107 1.998 -8.314 1.00 13.03 H new ATOM 0 HG2 GLU A 80 -7.255 2.802 -10.267 1.00 1.11 H new ATOM 0 HG3 GLU A 80 -7.735 1.186 -10.744 1.00 1.11 H new ATOM 1327 N GLU A 81 -3.985 2.876 -9.795 1.00 74.23 N ATOM 1328 CA GLU A 81 -3.384 4.108 -10.354 1.00 72.44 C ATOM 1329 C GLU A 81 -2.057 3.838 -11.081 1.00 23.34 C ATOM 1330 O GLU A 81 -1.809 4.389 -12.163 1.00 2.21 O ATOM 1331 CB GLU A 81 -3.160 5.143 -9.231 1.00 25.31 C ATOM 1332 CG GLU A 81 -4.448 5.611 -8.538 1.00 40.43 C ATOM 1333 CD GLU A 81 -5.437 6.289 -9.500 1.00 74.24 C ATOM 1334 OE1 GLU A 81 -5.198 7.447 -9.894 1.00 75.42 O ATOM 1335 OE2 GLU A 81 -6.461 5.671 -9.867 1.00 25.40 O ATOM 0 H GLU A 81 -3.993 2.848 -8.775 1.00 74.23 H new ATOM 0 HA GLU A 81 -4.086 4.501 -11.090 1.00 72.44 H new ATOM 0 HB2 GLU A 81 -2.495 4.712 -8.483 1.00 25.31 H new ATOM 0 HB3 GLU A 81 -2.650 6.011 -9.649 1.00 25.31 H new ATOM 0 HG2 GLU A 81 -4.934 4.755 -8.071 1.00 40.43 H new ATOM 0 HG3 GLU A 81 -4.192 6.307 -7.739 1.00 40.43 H new ATOM 1342 N LEU A 82 -1.215 2.989 -10.477 1.00 73.34 N ATOM 1343 CA LEU A 82 0.154 2.741 -10.965 1.00 42.12 C ATOM 1344 C LEU A 82 0.123 2.024 -12.322 1.00 33.23 C ATOM 1345 O LEU A 82 0.805 2.433 -13.246 1.00 51.35 O ATOM 1346 CB LEU A 82 0.948 1.905 -9.923 1.00 4.41 C ATOM 1347 CG LEU A 82 2.464 2.220 -9.749 1.00 72.41 C ATOM 1348 CD1 LEU A 82 3.058 1.302 -8.680 1.00 72.32 C ATOM 1349 CD2 LEU A 82 3.266 2.133 -11.063 1.00 34.01 C ATOM 0 H LEU A 82 -1.458 2.457 -9.642 1.00 73.34 H new ATOM 0 HA LEU A 82 0.655 3.699 -11.100 1.00 42.12 H new ATOM 0 HB2 LEU A 82 0.465 2.031 -8.954 1.00 4.41 H new ATOM 0 HB3 LEU A 82 0.852 0.853 -10.193 1.00 4.41 H new ATOM 0 HG LEU A 82 2.542 3.259 -9.429 1.00 72.41 H new ATOM 0 HD11 LEU A 82 4.118 1.523 -8.559 1.00 72.32 H new ATOM 0 HD12 LEU A 82 2.543 1.465 -7.733 1.00 72.32 H new ATOM 0 HD13 LEU A 82 2.937 0.263 -8.985 1.00 72.32 H new ATOM 0 HD21 LEU A 82 4.313 2.364 -10.866 1.00 34.01 H new ATOM 0 HD22 LEU A 82 3.188 1.125 -11.471 1.00 34.01 H new ATOM 0 HD23 LEU A 82 2.865 2.848 -11.782 1.00 34.01 H new ATOM 1361 N ARG A 83 -0.694 0.956 -12.413 1.00 51.53 N ATOM 1362 CA ARG A 83 -0.770 0.088 -13.613 1.00 70.45 C ATOM 1363 C ARG A 83 -1.255 0.862 -14.866 1.00 51.21 C ATOM 1364 O ARG A 83 -0.938 0.494 -16.003 1.00 22.22 O ATOM 1365 CB ARG A 83 -1.681 -1.134 -13.329 1.00 13.43 C ATOM 1366 CG ARG A 83 -1.694 -2.216 -14.430 1.00 53.14 C ATOM 1367 CD ARG A 83 -2.648 -3.380 -14.111 1.00 64.52 C ATOM 1368 NE ARG A 83 -4.052 -2.938 -13.951 1.00 13.40 N ATOM 1369 CZ ARG A 83 -4.961 -2.830 -14.947 1.00 72.04 C ATOM 1370 NH1 ARG A 83 -4.643 -3.118 -16.201 1.00 2.20 N ATOM 1371 NH2 ARG A 83 -6.189 -2.425 -14.672 1.00 33.43 N ATOM 0 H ARG A 83 -1.320 0.668 -11.661 1.00 51.53 H new ATOM 0 HA ARG A 83 0.238 -0.264 -13.832 1.00 70.45 H new ATOM 0 HB2 ARG A 83 -1.363 -1.594 -12.394 1.00 13.43 H new ATOM 0 HB3 ARG A 83 -2.701 -0.779 -13.179 1.00 13.43 H new ATOM 0 HG2 ARG A 83 -1.987 -1.761 -15.376 1.00 53.14 H new ATOM 0 HG3 ARG A 83 -0.685 -2.605 -14.562 1.00 53.14 H new ATOM 0 HD2 ARG A 83 -2.593 -4.120 -14.910 1.00 64.52 H new ATOM 0 HD3 ARG A 83 -2.320 -3.874 -13.196 1.00 64.52 H new ATOM 0 HE ARG A 83 -4.360 -2.694 -13.010 1.00 13.40 H new ATOM 0 HH11 ARG A 83 -3.698 -3.428 -16.429 1.00 2.20 H new ATOM 0 HH12 ARG A 83 -5.343 -3.030 -16.938 1.00 2.20 H new ATOM 0 HH21 ARG A 83 -6.447 -2.196 -13.712 1.00 33.43 H new ATOM 0 HH22 ARG A 83 -6.878 -2.342 -15.419 1.00 33.43 H new ATOM 1385 N LYS A 84 -1.998 1.955 -14.636 1.00 51.34 N ATOM 1386 CA LYS A 84 -2.516 2.825 -15.708 1.00 51.24 C ATOM 1387 C LYS A 84 -1.407 3.717 -16.317 1.00 30.14 C ATOM 1388 O LYS A 84 -1.581 4.250 -17.417 1.00 55.23 O ATOM 1389 CB LYS A 84 -3.674 3.695 -15.147 1.00 42.44 C ATOM 1390 CG LYS A 84 -4.873 2.879 -14.607 1.00 1.01 C ATOM 1391 CD LYS A 84 -5.858 3.729 -13.761 1.00 74.45 C ATOM 1392 CE LYS A 84 -6.608 4.782 -14.580 1.00 60.24 C ATOM 1393 NZ LYS A 84 -7.558 4.165 -15.545 1.00 62.52 N ATOM 0 H LYS A 84 -2.258 2.263 -13.699 1.00 51.34 H new ATOM 0 HA LYS A 84 -2.889 2.192 -16.513 1.00 51.24 H new ATOM 0 HB2 LYS A 84 -3.286 4.324 -14.346 1.00 42.44 H new ATOM 0 HB3 LYS A 84 -4.027 4.362 -15.934 1.00 42.44 H new ATOM 0 HG2 LYS A 84 -5.411 2.438 -15.446 1.00 1.01 H new ATOM 0 HG3 LYS A 84 -4.499 2.055 -13.999 1.00 1.01 H new ATOM 0 HD2 LYS A 84 -6.581 3.067 -13.284 1.00 74.45 H new ATOM 0 HD3 LYS A 84 -5.306 4.225 -12.963 1.00 74.45 H new ATOM 0 HE2 LYS A 84 -7.153 5.444 -13.907 1.00 60.24 H new ATOM 0 HE3 LYS A 84 -5.891 5.399 -15.121 1.00 60.24 H new ATOM 0 HZ1 LYS A 84 -8.105 4.912 -16.019 1.00 62.52 H new ATOM 0 HZ2 LYS A 84 -7.027 3.621 -16.255 1.00 62.52 H new ATOM 0 HZ3 LYS A 84 -8.206 3.530 -15.036 1.00 62.52 H new ATOM 1407 N ARG A 85 -0.273 3.901 -15.593 1.00 61.24 N ATOM 1408 CA ARG A 85 0.886 4.681 -16.103 1.00 60.14 C ATOM 1409 C ARG A 85 2.079 3.764 -16.452 1.00 43.45 C ATOM 1410 O ARG A 85 2.798 4.008 -17.424 1.00 53.25 O ATOM 1411 CB ARG A 85 1.326 5.740 -15.058 1.00 35.41 C ATOM 1412 CG ARG A 85 0.290 6.833 -14.688 1.00 63.21 C ATOM 1413 CD ARG A 85 -0.108 7.771 -15.854 1.00 31.11 C ATOM 1414 NE ARG A 85 -0.943 7.102 -16.875 1.00 54.03 N ATOM 1415 CZ ARG A 85 -1.510 7.692 -17.946 1.00 74.33 C ATOM 1416 NH1 ARG A 85 -1.363 8.996 -18.175 1.00 31.21 N ATOM 1417 NH2 ARG A 85 -2.205 6.956 -18.811 1.00 12.13 N ATOM 0 H ARG A 85 -0.136 3.521 -14.656 1.00 61.24 H new ATOM 0 HA ARG A 85 0.567 5.184 -17.016 1.00 60.14 H new ATOM 0 HB2 ARG A 85 1.609 5.218 -14.144 1.00 35.41 H new ATOM 0 HB3 ARG A 85 2.222 6.235 -15.433 1.00 35.41 H new ATOM 0 HG2 ARG A 85 -0.609 6.348 -14.307 1.00 63.21 H new ATOM 0 HG3 ARG A 85 0.694 7.437 -13.876 1.00 63.21 H new ATOM 0 HD2 ARG A 85 -0.650 8.628 -15.455 1.00 31.11 H new ATOM 0 HD3 ARG A 85 0.795 8.157 -16.327 1.00 31.11 H new ATOM 0 HE ARG A 85 -1.105 6.102 -16.758 1.00 54.03 H new ATOM 0 HH11 ARG A 85 -0.813 9.568 -17.534 1.00 31.21 H new ATOM 0 HH12 ARG A 85 -1.800 9.423 -18.992 1.00 31.21 H new ATOM 0 HH21 ARG A 85 -2.306 5.952 -18.661 1.00 12.13 H new ATOM 0 HH22 ARG A 85 -2.637 7.396 -19.624 1.00 12.13 H new ATOM 1431 N ASP A 86 2.242 2.698 -15.669 1.00 64.21 N ATOM 1432 CA ASP A 86 3.236 1.638 -15.901 1.00 20.21 C ATOM 1433 C ASP A 86 2.437 0.363 -16.202 1.00 1.00 C ATOM 1434 O ASP A 86 1.982 -0.304 -15.271 1.00 65.23 O ATOM 1435 CB ASP A 86 4.170 1.450 -14.664 1.00 71.24 C ATOM 1436 CG ASP A 86 5.095 2.660 -14.404 1.00 74.22 C ATOM 1437 OD1 ASP A 86 4.615 3.685 -13.870 1.00 5.30 O ATOM 1438 OD2 ASP A 86 6.301 2.591 -14.737 1.00 61.34 O ATOM 0 H ASP A 86 1.676 2.539 -14.835 1.00 64.21 H new ATOM 0 HA ASP A 86 3.895 1.892 -16.731 1.00 20.21 H new ATOM 0 HB2 ASP A 86 3.558 1.273 -13.780 1.00 71.24 H new ATOM 0 HB3 ASP A 86 4.781 0.560 -14.812 1.00 71.24 H new ATOM 1443 N PRO A 87 2.202 0.028 -17.516 1.00 1.32 N ATOM 1444 CA PRO A 87 1.230 -1.022 -17.939 1.00 35.32 C ATOM 1445 C PRO A 87 1.446 -2.397 -17.269 1.00 14.11 C ATOM 1446 O PRO A 87 0.489 -3.145 -17.060 1.00 32.43 O ATOM 1447 CB PRO A 87 1.404 -1.084 -19.484 1.00 51.53 C ATOM 1448 CG PRO A 87 2.702 -0.381 -19.771 1.00 41.31 C ATOM 1449 CD PRO A 87 2.860 0.653 -18.693 1.00 11.11 C ATOM 0 HA PRO A 87 0.216 -0.768 -17.630 1.00 35.32 H new ATOM 0 HB2 PRO A 87 1.431 -2.116 -19.835 1.00 51.53 H new ATOM 0 HB3 PRO A 87 0.573 -0.596 -19.992 1.00 51.53 H new ATOM 0 HG2 PRO A 87 3.536 -1.083 -19.764 1.00 41.31 H new ATOM 0 HG3 PRO A 87 2.685 0.083 -20.757 1.00 41.31 H new ATOM 0 HD2 PRO A 87 3.910 0.872 -18.497 1.00 11.11 H new ATOM 0 HD3 PRO A 87 2.384 1.594 -18.967 1.00 11.11 H new ATOM 1457 N ASN A 88 2.705 -2.707 -16.926 1.00 0.44 N ATOM 1458 CA ASN A 88 3.078 -3.963 -16.233 1.00 65.41 C ATOM 1459 C ASN A 88 3.574 -3.661 -14.801 1.00 50.14 C ATOM 1460 O ASN A 88 4.630 -4.137 -14.382 1.00 34.03 O ATOM 1461 CB ASN A 88 4.149 -4.735 -17.073 1.00 33.02 C ATOM 1462 CG ASN A 88 3.609 -5.545 -18.272 1.00 63.12 C ATOM 1463 OD1 ASN A 88 4.252 -6.489 -18.714 1.00 62.45 O ATOM 1464 ND2 ASN A 88 2.441 -5.202 -18.801 1.00 51.14 N ATOM 0 H ASN A 88 3.499 -2.097 -17.119 1.00 0.44 H new ATOM 0 HA ASN A 88 2.200 -4.603 -16.143 1.00 65.41 H new ATOM 0 HB2 ASN A 88 4.879 -4.016 -17.444 1.00 33.02 H new ATOM 0 HB3 ASN A 88 4.682 -5.416 -16.409 1.00 33.02 H new ATOM 0 HD21 ASN A 88 2.064 -5.728 -19.590 1.00 51.14 H new ATOM 0 HD22 ASN A 88 1.920 -4.413 -18.419 1.00 51.14 H new ATOM 1471 N ALA A 89 2.799 -2.852 -14.056 1.00 62.13 N ATOM 1472 CA ALA A 89 3.015 -2.637 -12.612 1.00 22.23 C ATOM 1473 C ALA A 89 2.393 -3.799 -11.809 1.00 22.01 C ATOM 1474 O ALA A 89 1.262 -3.708 -11.310 1.00 42.21 O ATOM 1475 CB ALA A 89 2.449 -1.275 -12.175 1.00 62.21 C ATOM 0 H ALA A 89 2.009 -2.331 -14.435 1.00 62.13 H new ATOM 0 HA ALA A 89 4.086 -2.622 -12.409 1.00 22.23 H new ATOM 0 HB1 ALA A 89 2.619 -1.136 -11.107 1.00 62.21 H new ATOM 0 HB2 ALA A 89 2.948 -0.479 -12.728 1.00 62.21 H new ATOM 0 HB3 ALA A 89 1.379 -1.243 -12.380 1.00 62.21 H new ATOM 1481 N THR A 90 3.119 -4.928 -11.776 1.00 53.35 N ATOM 1482 CA THR A 90 2.709 -6.156 -11.080 1.00 32.01 C ATOM 1483 C THR A 90 3.130 -6.082 -9.596 1.00 3.35 C ATOM 1484 O THR A 90 4.217 -5.591 -9.286 1.00 31.24 O ATOM 1485 CB THR A 90 3.372 -7.383 -11.790 1.00 1.30 C ATOM 1486 OG1 THR A 90 3.164 -7.288 -13.211 1.00 35.40 O ATOM 1487 CG2 THR A 90 2.827 -8.732 -11.293 1.00 61.05 C ATOM 0 H THR A 90 4.023 -5.013 -12.241 1.00 53.35 H new ATOM 0 HA THR A 90 1.625 -6.266 -11.117 1.00 32.01 H new ATOM 0 HB THR A 90 4.434 -7.351 -11.548 1.00 1.30 H new ATOM 0 HG1 THR A 90 3.581 -8.056 -13.655 1.00 35.40 H new ATOM 0 HG21 THR A 90 3.326 -9.543 -11.823 1.00 61.05 H new ATOM 0 HG22 THR A 90 3.014 -8.828 -10.223 1.00 61.05 H new ATOM 0 HG23 THR A 90 1.754 -8.782 -11.480 1.00 61.05 H new ATOM 1495 N ILE A 91 2.262 -6.558 -8.683 1.00 32.05 N ATOM 1496 CA ILE A 91 2.467 -6.462 -7.221 1.00 23.42 C ATOM 1497 C ILE A 91 2.406 -7.867 -6.590 1.00 51.11 C ATOM 1498 O ILE A 91 1.509 -8.668 -6.898 1.00 42.42 O ATOM 1499 CB ILE A 91 1.438 -5.478 -6.511 1.00 63.13 C ATOM 1500 CG1 ILE A 91 -0.064 -5.880 -6.740 1.00 74.53 C ATOM 1501 CG2 ILE A 91 1.677 -4.011 -6.950 1.00 44.42 C ATOM 1502 CD1 ILE A 91 -0.624 -5.569 -8.121 1.00 15.21 C ATOM 0 H ILE A 91 1.391 -7.024 -8.939 1.00 32.05 H new ATOM 0 HA ILE A 91 3.456 -6.033 -7.062 1.00 23.42 H new ATOM 0 HB ILE A 91 1.627 -5.566 -5.441 1.00 63.13 H new ATOM 0 HG12 ILE A 91 -0.167 -6.950 -6.558 1.00 74.53 H new ATOM 0 HG13 ILE A 91 -0.676 -5.370 -5.996 1.00 74.53 H new ATOM 0 HG21 ILE A 91 0.960 -3.360 -6.450 1.00 44.42 H new ATOM 0 HG22 ILE A 91 2.689 -3.711 -6.680 1.00 44.42 H new ATOM 0 HG23 ILE A 91 1.550 -3.929 -8.029 1.00 44.42 H new ATOM 0 HD11 ILE A 91 -1.666 -5.886 -8.171 1.00 15.21 H new ATOM 0 HD12 ILE A 91 -0.562 -4.497 -8.306 1.00 15.21 H new ATOM 0 HD13 ILE A 91 -0.046 -6.101 -8.876 1.00 15.21 H new ATOM 1514 N THR A 92 3.379 -8.170 -5.720 1.00 33.31 N ATOM 1515 CA THR A 92 3.513 -9.469 -5.051 1.00 54.13 C ATOM 1516 C THR A 92 3.413 -9.267 -3.534 1.00 63.35 C ATOM 1517 O THR A 92 4.295 -8.644 -2.927 1.00 61.12 O ATOM 1518 CB THR A 92 4.879 -10.145 -5.421 1.00 44.54 C ATOM 1519 OG1 THR A 92 5.032 -10.169 -6.851 1.00 50.24 O ATOM 1520 CG2 THR A 92 4.993 -11.580 -4.874 1.00 40.32 C ATOM 0 H THR A 92 4.108 -7.506 -5.457 1.00 33.31 H new ATOM 0 HA THR A 92 2.711 -10.127 -5.385 1.00 54.13 H new ATOM 0 HB THR A 92 5.669 -9.553 -4.960 1.00 44.54 H new ATOM 0 HG1 THR A 92 5.886 -10.590 -7.082 1.00 50.24 H new ATOM 0 HG21 THR A 92 5.957 -12.002 -5.158 1.00 40.32 H new ATOM 0 HG22 THR A 92 4.911 -11.563 -3.787 1.00 40.32 H new ATOM 0 HG23 THR A 92 4.192 -12.192 -5.289 1.00 40.32 H new ATOM 1528 N ARG A 93 2.330 -9.771 -2.927 1.00 42.44 N ATOM 1529 CA ARG A 93 2.086 -9.616 -1.489 1.00 74.41 C ATOM 1530 C ARG A 93 2.696 -10.796 -0.711 1.00 72.15 C ATOM 1531 O ARG A 93 2.458 -11.963 -1.038 1.00 71.11 O ATOM 1532 CB ARG A 93 0.567 -9.487 -1.173 1.00 23.42 C ATOM 1533 CG ARG A 93 0.285 -9.191 0.313 1.00 2.50 C ATOM 1534 CD ARG A 93 -1.201 -9.084 0.663 1.00 75.20 C ATOM 1535 NE ARG A 93 -1.928 -10.358 0.541 1.00 4.42 N ATOM 1536 CZ ARG A 93 -3.236 -10.527 0.803 1.00 63.41 C ATOM 1537 NH1 ARG A 93 -4.003 -9.510 1.209 1.00 11.50 N ATOM 1538 NH2 ARG A 93 -3.775 -11.728 0.665 1.00 72.11 N ATOM 0 H ARG A 93 1.604 -10.294 -3.416 1.00 42.44 H new ATOM 0 HA ARG A 93 2.569 -8.692 -1.171 1.00 74.41 H new ATOM 0 HB2 ARG A 93 0.141 -8.691 -1.784 1.00 23.42 H new ATOM 0 HB3 ARG A 93 0.063 -10.411 -1.456 1.00 23.42 H new ATOM 0 HG2 ARG A 93 0.733 -9.978 0.920 1.00 2.50 H new ATOM 0 HG3 ARG A 93 0.779 -8.258 0.586 1.00 2.50 H new ATOM 0 HD2 ARG A 93 -1.300 -8.715 1.684 1.00 75.20 H new ATOM 0 HD3 ARG A 93 -1.667 -8.345 0.011 1.00 75.20 H new ATOM 0 HE ARG A 93 -1.399 -11.175 0.234 1.00 4.42 H new ATOM 0 HH11 ARG A 93 -3.598 -8.581 1.326 1.00 11.50 H new ATOM 0 HH12 ARG A 93 -4.993 -9.663 1.402 1.00 11.50 H new ATOM 0 HH21 ARG A 93 -3.199 -12.514 0.363 1.00 72.11 H new ATOM 0 HH22 ARG A 93 -4.766 -11.868 0.861 1.00 72.11 H new ATOM 1552 N THR A 94 3.499 -10.471 0.305 1.00 71.11 N ATOM 1553 CA THR A 94 4.029 -11.422 1.275 1.00 25.33 C ATOM 1554 C THR A 94 3.758 -10.873 2.685 1.00 71.34 C ATOM 1555 O THR A 94 4.328 -9.846 3.071 1.00 12.42 O ATOM 1556 CB THR A 94 5.563 -11.646 1.058 1.00 31.11 C ATOM 1557 OG1 THR A 94 5.816 -12.072 -0.298 1.00 64.21 O ATOM 1558 CG2 THR A 94 6.134 -12.686 2.042 1.00 50.44 C ATOM 0 H THR A 94 3.804 -9.513 0.477 1.00 71.11 H new ATOM 0 HA THR A 94 3.539 -12.387 1.149 1.00 25.33 H new ATOM 0 HB THR A 94 6.062 -10.695 1.245 1.00 31.11 H new ATOM 0 HG1 THR A 94 6.778 -12.208 -0.424 1.00 64.21 H new ATOM 0 HG21 THR A 94 7.201 -12.813 1.859 1.00 50.44 H new ATOM 0 HG22 THR A 94 5.980 -12.342 3.065 1.00 50.44 H new ATOM 0 HG23 THR A 94 5.626 -13.640 1.899 1.00 50.44 H new ATOM 1566 N VAL A 95 2.865 -11.530 3.438 1.00 32.10 N ATOM 1567 CA VAL A 95 2.486 -11.089 4.788 1.00 0.23 C ATOM 1568 C VAL A 95 3.602 -11.461 5.803 1.00 23.20 C ATOM 1569 O VAL A 95 4.053 -12.611 5.847 1.00 3.24 O ATOM 1570 CB VAL A 95 1.071 -11.662 5.205 1.00 52.11 C ATOM 1571 CG1 VAL A 95 1.030 -13.207 5.198 1.00 44.01 C ATOM 1572 CG2 VAL A 95 0.615 -11.076 6.564 1.00 43.03 C ATOM 0 H VAL A 95 2.387 -12.377 3.131 1.00 32.10 H new ATOM 0 HA VAL A 95 2.387 -10.003 4.790 1.00 0.23 H new ATOM 0 HB VAL A 95 0.358 -11.339 4.446 1.00 52.11 H new ATOM 0 HG11 VAL A 95 0.037 -13.546 5.492 1.00 44.01 H new ATOM 0 HG12 VAL A 95 1.257 -13.572 4.196 1.00 44.01 H new ATOM 0 HG13 VAL A 95 1.768 -13.594 5.901 1.00 44.01 H new ATOM 0 HG21 VAL A 95 -0.360 -11.485 6.828 1.00 43.03 H new ATOM 0 HG22 VAL A 95 1.340 -11.338 7.335 1.00 43.03 H new ATOM 0 HG23 VAL A 95 0.544 -9.991 6.487 1.00 43.03 H new ATOM 1582 N ARG A 96 4.087 -10.455 6.564 1.00 14.33 N ATOM 1583 CA ARG A 96 5.165 -10.641 7.558 1.00 64.44 C ATOM 1584 C ARG A 96 4.578 -11.141 8.889 1.00 73.14 C ATOM 1585 O ARG A 96 5.045 -12.138 9.450 1.00 53.12 O ATOM 1586 CB ARG A 96 5.947 -9.308 7.770 1.00 21.44 C ATOM 1587 CG ARG A 96 7.042 -9.323 8.875 1.00 73.42 C ATOM 1588 CD ARG A 96 8.228 -10.274 8.584 1.00 24.33 C ATOM 1589 NE ARG A 96 7.891 -11.708 8.694 1.00 44.31 N ATOM 1590 CZ ARG A 96 8.514 -12.709 8.039 1.00 23.45 C ATOM 1591 NH1 ARG A 96 9.533 -12.464 7.211 1.00 31.14 N ATOM 1592 NH2 ARG A 96 8.107 -13.956 8.220 1.00 3.43 N ATOM 0 H ARG A 96 3.744 -9.496 6.506 1.00 14.33 H new ATOM 0 HA ARG A 96 5.862 -11.390 7.182 1.00 64.44 H new ATOM 0 HB2 ARG A 96 6.417 -9.032 6.826 1.00 21.44 H new ATOM 0 HB3 ARG A 96 5.229 -8.524 8.010 1.00 21.44 H new ATOM 0 HG2 ARG A 96 7.426 -8.311 9.003 1.00 73.42 H new ATOM 0 HG3 ARG A 96 6.583 -9.612 9.821 1.00 73.42 H new ATOM 0 HD2 ARG A 96 8.601 -10.075 7.579 1.00 24.33 H new ATOM 0 HD3 ARG A 96 9.039 -10.048 9.276 1.00 24.33 H new ATOM 0 HE ARG A 96 7.124 -11.962 9.317 1.00 44.31 H new ATOM 0 HH11 ARG A 96 9.853 -11.506 7.065 1.00 31.14 H new ATOM 0 HH12 ARG A 96 9.991 -13.234 6.725 1.00 31.14 H new ATOM 0 HH21 ARG A 96 7.329 -14.152 8.850 1.00 3.43 H new ATOM 0 HH22 ARG A 96 8.571 -14.720 7.729 1.00 3.43 H new ATOM 1606 N THR A 97 3.563 -10.426 9.377 1.00 73.52 N ATOM 1607 CA THR A 97 2.906 -10.738 10.649 1.00 11.41 C ATOM 1608 C THR A 97 2.011 -11.986 10.502 1.00 44.22 C ATOM 1609 O THR A 97 1.151 -12.043 9.615 1.00 50.24 O ATOM 1610 CB THR A 97 2.067 -9.517 11.140 1.00 34.22 C ATOM 1611 OG1 THR A 97 2.934 -8.386 11.329 1.00 54.53 O ATOM 1612 CG2 THR A 97 1.306 -9.777 12.450 1.00 42.22 C ATOM 0 H THR A 97 3.172 -9.613 8.901 1.00 73.52 H new ATOM 0 HA THR A 97 3.673 -10.952 11.393 1.00 11.41 H new ATOM 0 HB THR A 97 1.322 -9.327 10.368 1.00 34.22 H new ATOM 0 HG1 THR A 97 2.575 -7.814 12.039 1.00 54.53 H new ATOM 0 HG21 THR A 97 0.746 -8.884 12.729 1.00 42.22 H new ATOM 0 HG22 THR A 97 0.616 -10.609 12.311 1.00 42.22 H new ATOM 0 HG23 THR A 97 2.015 -10.022 13.240 1.00 42.22 H new ATOM 1620 N GLU A 98 2.251 -12.979 11.361 1.00 1.44 N ATOM 1621 CA GLU A 98 1.416 -14.191 11.480 1.00 51.22 C ATOM 1622 C GLU A 98 0.283 -13.930 12.493 1.00 54.22 C ATOM 1623 O GLU A 98 0.271 -12.884 13.160 1.00 73.33 O ATOM 1624 CB GLU A 98 2.308 -15.399 11.897 1.00 11.22 C ATOM 1625 CG GLU A 98 3.110 -15.197 13.205 1.00 24.41 C ATOM 1626 CD GLU A 98 4.120 -16.318 13.489 1.00 11.12 C ATOM 1627 OE1 GLU A 98 5.038 -16.518 12.662 1.00 70.32 O ATOM 1628 OE2 GLU A 98 4.024 -16.985 14.544 1.00 54.31 O ATOM 0 H GLU A 98 3.041 -12.970 12.006 1.00 1.44 H new ATOM 0 HA GLU A 98 0.958 -14.435 10.521 1.00 51.22 H new ATOM 0 HB2 GLU A 98 1.674 -16.278 12.009 1.00 11.22 H new ATOM 0 HB3 GLU A 98 3.007 -15.611 11.088 1.00 11.22 H new ATOM 0 HG2 GLU A 98 3.641 -14.247 13.152 1.00 24.41 H new ATOM 0 HG3 GLU A 98 2.414 -15.127 14.041 1.00 24.41 H new ATOM 1635 N VAL A 99 -0.670 -14.867 12.606 1.00 44.42 N ATOM 1636 CA VAL A 99 -1.853 -14.692 13.471 1.00 14.51 C ATOM 1637 C VAL A 99 -1.444 -14.874 14.950 1.00 12.21 C ATOM 1638 O VAL A 99 -1.260 -16.002 15.422 1.00 12.52 O ATOM 1639 CB VAL A 99 -3.019 -15.683 13.082 1.00 53.41 C ATOM 1640 CG1 VAL A 99 -4.296 -15.413 13.915 1.00 33.02 C ATOM 1641 CG2 VAL A 99 -3.319 -15.608 11.567 1.00 25.23 C ATOM 0 H VAL A 99 -0.647 -15.757 12.109 1.00 44.42 H new ATOM 0 HA VAL A 99 -2.236 -13.682 13.325 1.00 14.51 H new ATOM 0 HB VAL A 99 -2.686 -16.694 13.314 1.00 53.41 H new ATOM 0 HG11 VAL A 99 -5.077 -16.114 13.620 1.00 33.02 H new ATOM 0 HG12 VAL A 99 -4.073 -15.542 14.974 1.00 33.02 H new ATOM 0 HG13 VAL A 99 -4.637 -14.393 13.738 1.00 33.02 H new ATOM 0 HG21 VAL A 99 -4.125 -16.299 11.321 1.00 25.23 H new ATOM 0 HG22 VAL A 99 -3.618 -14.593 11.305 1.00 25.23 H new ATOM 0 HG23 VAL A 99 -2.425 -15.879 11.005 1.00 25.23 H new ATOM 1651 N GLY A 100 -1.234 -13.739 15.640 1.00 54.24 N ATOM 1652 CA GLY A 100 -0.857 -13.726 17.055 1.00 21.14 C ATOM 1653 C GLY A 100 -1.863 -12.994 17.918 1.00 33.33 C ATOM 1654 O GLY A 100 -1.511 -12.433 18.964 1.00 72.34 O ATOM 0 H GLY A 100 -1.322 -12.810 15.229 1.00 54.24 H new ATOM 0 HA2 GLY A 100 -0.757 -14.752 17.410 1.00 21.14 H new ATOM 0 HA3 GLY A 100 0.120 -13.255 17.163 1.00 21.14 H new ATOM 1658 N SER A 101 -3.126 -12.989 17.479 1.00 12.11 N ATOM 1659 CA SER A 101 -4.233 -12.378 18.214 1.00 22.42 C ATOM 1660 C SER A 101 -4.756 -13.367 19.267 1.00 2.43 C ATOM 1661 O SER A 101 -5.594 -14.232 18.973 1.00 1.13 O ATOM 1662 CB SER A 101 -5.332 -11.937 17.226 1.00 73.42 C ATOM 1663 OG SER A 101 -5.721 -13.003 16.386 1.00 43.45 O ATOM 0 H SER A 101 -3.409 -13.413 16.596 1.00 12.11 H new ATOM 0 HA SER A 101 -3.893 -11.486 18.740 1.00 22.42 H new ATOM 0 HB2 SER A 101 -6.197 -11.572 17.780 1.00 73.42 H new ATOM 0 HB3 SER A 101 -4.968 -11.107 16.620 1.00 73.42 H new ATOM 0 HG SER A 101 -6.161 -12.646 15.586 1.00 43.45 H new ATOM 1669 N SER A 102 -4.197 -13.279 20.480 1.00 25.11 N ATOM 1670 CA SER A 102 -4.627 -14.086 21.625 1.00 14.20 C ATOM 1671 C SER A 102 -5.630 -13.293 22.473 1.00 44.12 C ATOM 1672 O SER A 102 -5.466 -12.075 22.655 1.00 64.30 O ATOM 1673 CB SER A 102 -3.395 -14.501 22.460 1.00 22.42 C ATOM 1674 OG SER A 102 -2.688 -13.375 22.950 1.00 51.02 O ATOM 0 H SER A 102 -3.430 -12.642 20.694 1.00 25.11 H new ATOM 0 HA SER A 102 -5.122 -14.991 21.272 1.00 14.20 H new ATOM 0 HB2 SER A 102 -3.715 -15.121 23.297 1.00 22.42 H new ATOM 0 HB3 SER A 102 -2.730 -15.110 21.848 1.00 22.42 H new ATOM 0 HG SER A 102 -1.917 -13.676 23.475 1.00 51.02 H new ATOM 1680 N TRP A 103 -6.671 -13.982 22.966 1.00 62.22 N ATOM 1681 CA TRP A 103 -7.672 -13.405 23.874 1.00 3.10 C ATOM 1682 C TRP A 103 -8.453 -14.544 24.547 1.00 20.42 C ATOM 1683 O TRP A 103 -9.185 -15.280 23.879 1.00 14.42 O ATOM 1684 CB TRP A 103 -8.625 -12.417 23.123 1.00 41.25 C ATOM 1685 CG TRP A 103 -9.540 -11.589 24.016 1.00 75.22 C ATOM 1686 CD1 TRP A 103 -9.333 -11.237 25.325 1.00 3.10 C ATOM 1687 CD2 TRP A 103 -10.780 -10.971 23.640 1.00 32.24 C ATOM 1688 NE1 TRP A 103 -10.376 -10.474 25.780 1.00 33.51 N ATOM 1689 CE2 TRP A 103 -11.273 -10.293 24.767 1.00 44.43 C ATOM 1690 CE3 TRP A 103 -11.529 -10.938 22.460 1.00 63.23 C ATOM 1691 CZ2 TRP A 103 -12.473 -9.587 24.750 1.00 1.45 C ATOM 1692 CZ3 TRP A 103 -12.722 -10.238 22.444 1.00 54.00 C ATOM 1693 CH2 TRP A 103 -13.183 -9.570 23.582 1.00 45.33 C ATOM 0 H TRP A 103 -6.842 -14.963 22.743 1.00 62.22 H new ATOM 0 HA TRP A 103 -7.165 -12.820 24.641 1.00 3.10 H new ATOM 0 HB2 TRP A 103 -8.018 -11.738 22.524 1.00 41.25 H new ATOM 0 HB3 TRP A 103 -9.242 -12.989 22.430 1.00 41.25 H new ATOM 0 HD1 TRP A 103 -8.472 -11.520 25.912 1.00 3.10 H new ATOM 0 HE1 TRP A 103 -10.468 -10.101 26.725 1.00 33.51 H new ATOM 0 HE3 TRP A 103 -11.182 -11.451 21.575 1.00 63.23 H new ATOM 0 HZ2 TRP A 103 -12.830 -9.071 25.629 1.00 1.45 H new ATOM 0 HZ3 TRP A 103 -13.307 -10.207 21.537 1.00 54.00 H new ATOM 0 HH2 TRP A 103 -14.117 -9.030 23.538 1.00 45.33 H new ATOM 1704 N SER A 104 -8.253 -14.710 25.862 1.00 70.33 N ATOM 1705 CA SER A 104 -8.948 -15.718 26.671 1.00 34.03 C ATOM 1706 C SER A 104 -9.777 -15.014 27.760 1.00 1.35 C ATOM 1707 O SER A 104 -9.212 -14.445 28.702 1.00 41.05 O ATOM 1708 CB SER A 104 -7.918 -16.691 27.296 1.00 42.22 C ATOM 1709 OG SER A 104 -7.144 -17.347 26.296 1.00 43.22 O ATOM 0 H SER A 104 -7.597 -14.142 26.398 1.00 70.33 H new ATOM 0 HA SER A 104 -9.623 -16.298 26.041 1.00 34.03 H new ATOM 0 HB2 SER A 104 -7.257 -16.141 27.966 1.00 42.22 H new ATOM 0 HB3 SER A 104 -8.438 -17.434 27.900 1.00 42.22 H new ATOM 0 HG SER A 104 -6.503 -17.952 26.723 1.00 43.22 H new ATOM 1715 N LEU A 105 -11.113 -15.030 27.612 1.00 74.35 N ATOM 1716 CA LEU A 105 -12.038 -14.365 28.556 1.00 42.14 C ATOM 1717 C LEU A 105 -12.344 -15.276 29.757 1.00 51.20 C ATOM 1718 O LEU A 105 -12.504 -16.494 29.595 1.00 72.31 O ATOM 1719 CB LEU A 105 -13.376 -13.949 27.872 1.00 72.32 C ATOM 1720 CG LEU A 105 -13.278 -12.906 26.709 1.00 42.03 C ATOM 1721 CD1 LEU A 105 -12.807 -13.557 25.394 1.00 12.41 C ATOM 1722 CD2 LEU A 105 -14.616 -12.158 26.516 1.00 51.13 C ATOM 0 H LEU A 105 -11.584 -15.501 26.839 1.00 74.35 H new ATOM 0 HA LEU A 105 -11.535 -13.462 28.901 1.00 42.14 H new ATOM 0 HB2 LEU A 105 -13.853 -14.849 27.483 1.00 72.32 H new ATOM 0 HB3 LEU A 105 -14.037 -13.543 28.638 1.00 72.32 H new ATOM 0 HG LEU A 105 -12.523 -12.173 26.994 1.00 42.03 H new ATOM 0 HD11 LEU A 105 -12.752 -12.799 24.612 1.00 12.41 H new ATOM 0 HD12 LEU A 105 -11.822 -14.000 25.540 1.00 12.41 H new ATOM 0 HD13 LEU A 105 -13.513 -14.333 25.099 1.00 12.41 H new ATOM 0 HD21 LEU A 105 -14.517 -11.440 25.702 1.00 51.13 H new ATOM 0 HD22 LEU A 105 -15.402 -12.874 26.275 1.00 51.13 H new ATOM 0 HD23 LEU A 105 -14.874 -11.631 27.435 1.00 51.13 H new ATOM 1734 N GLU A 106 -12.426 -14.668 30.952 1.00 35.30 N ATOM 1735 CA GLU A 106 -12.840 -15.345 32.188 1.00 44.33 C ATOM 1736 C GLU A 106 -13.643 -14.373 33.068 1.00 72.24 C ATOM 1737 O GLU A 106 -13.380 -13.165 33.068 1.00 10.13 O ATOM 1738 CB GLU A 106 -11.610 -15.915 32.946 1.00 64.01 C ATOM 1739 CG GLU A 106 -10.553 -14.882 33.386 1.00 21.43 C ATOM 1740 CD GLU A 106 -9.402 -15.526 34.180 1.00 4.41 C ATOM 1741 OE1 GLU A 106 -9.634 -15.958 35.327 1.00 22.52 O ATOM 1742 OE2 GLU A 106 -8.266 -15.623 33.660 1.00 70.25 O ATOM 0 H GLU A 106 -12.204 -13.682 31.086 1.00 35.30 H new ATOM 0 HA GLU A 106 -13.481 -16.189 31.934 1.00 44.33 H new ATOM 0 HB2 GLU A 106 -11.965 -16.442 33.831 1.00 64.01 H new ATOM 0 HB3 GLU A 106 -11.125 -16.654 32.308 1.00 64.01 H new ATOM 0 HG2 GLU A 106 -10.149 -14.382 32.506 1.00 21.43 H new ATOM 0 HG3 GLU A 106 -11.029 -14.116 33.998 1.00 21.43 H new ATOM 1749 N HIS A 107 -14.632 -14.912 33.804 1.00 62.31 N ATOM 1750 CA HIS A 107 -15.500 -14.127 34.701 1.00 40.52 C ATOM 1751 C HIS A 107 -16.118 -15.034 35.780 1.00 33.34 C ATOM 1752 O HIS A 107 -17.242 -14.794 36.255 1.00 75.44 O ATOM 1753 CB HIS A 107 -16.588 -13.358 33.886 1.00 51.01 C ATOM 1754 CG HIS A 107 -17.420 -14.215 32.969 1.00 52.22 C ATOM 1755 ND1 HIS A 107 -18.469 -14.987 33.408 1.00 10.20 N ATOM 1756 CD2 HIS A 107 -17.337 -14.429 31.634 1.00 65.41 C ATOM 1757 CE1 HIS A 107 -18.996 -15.634 32.387 1.00 72.14 C ATOM 1758 NE2 HIS A 107 -18.326 -15.315 31.303 1.00 53.21 N ATOM 0 H HIS A 107 -14.852 -15.908 33.793 1.00 62.31 H new ATOM 0 HA HIS A 107 -14.894 -13.378 35.211 1.00 40.52 H new ATOM 0 HB2 HIS A 107 -17.252 -12.849 34.585 1.00 51.01 H new ATOM 0 HB3 HIS A 107 -16.098 -12.586 33.292 1.00 51.01 H new ATOM 0 HD2 HIS A 107 -16.623 -13.983 30.957 1.00 65.41 H new ATOM 0 HE1 HIS A 107 -19.836 -16.311 32.434 1.00 72.14 H new ATOM 0 HE2 HIS A 107 -18.513 -15.671 30.365 1.00 53.21 H new ATOM 1767 N HIS A 108 -15.355 -16.067 36.191 1.00 51.43 N ATOM 1768 CA HIS A 108 -15.754 -16.973 37.284 1.00 31.45 C ATOM 1769 C HIS A 108 -15.622 -16.248 38.640 1.00 74.45 C ATOM 1770 O HIS A 108 -14.514 -16.091 39.177 1.00 71.34 O ATOM 1771 CB HIS A 108 -14.909 -18.270 37.267 1.00 54.01 C ATOM 1772 CG HIS A 108 -15.210 -19.238 38.399 1.00 73.41 C ATOM 1773 ND1 HIS A 108 -14.388 -19.386 39.497 1.00 54.32 N ATOM 1774 CD2 HIS A 108 -16.247 -20.094 38.601 1.00 2.12 C ATOM 1775 CE1 HIS A 108 -14.902 -20.284 40.317 1.00 22.23 C ATOM 1776 NE2 HIS A 108 -16.029 -20.731 39.799 1.00 72.03 N ATOM 0 H HIS A 108 -14.451 -16.295 35.777 1.00 51.43 H new ATOM 0 HA HIS A 108 -16.796 -17.258 37.138 1.00 31.45 H new ATOM 0 HB2 HIS A 108 -15.071 -18.781 36.318 1.00 54.01 H new ATOM 0 HB3 HIS A 108 -13.854 -18.001 37.308 1.00 54.01 H new ATOM 0 HD2 HIS A 108 -17.088 -20.246 37.941 1.00 2.12 H new ATOM 0 HE1 HIS A 108 -14.471 -20.600 41.256 1.00 22.23 H new ATOM 0 HE2 HIS A 108 -16.638 -21.433 40.218 1.00 72.03 H new ATOM 1785 N HIS A 109 -16.765 -15.780 39.147 1.00 64.20 N ATOM 1786 CA HIS A 109 -16.888 -15.079 40.433 1.00 50.21 C ATOM 1787 C HIS A 109 -17.705 -15.946 41.401 1.00 13.34 C ATOM 1788 O HIS A 109 -18.867 -16.239 41.130 1.00 74.14 O ATOM 1789 CB HIS A 109 -17.572 -13.706 40.196 1.00 52.31 C ATOM 1790 CG HIS A 109 -17.915 -12.930 41.450 1.00 2.41 C ATOM 1791 ND1 HIS A 109 -17.009 -12.134 42.120 1.00 51.42 N ATOM 1792 CD2 HIS A 109 -19.084 -12.819 42.138 1.00 50.53 C ATOM 1793 CE1 HIS A 109 -17.597 -11.578 43.164 1.00 11.10 C ATOM 1794 NE2 HIS A 109 -18.851 -11.978 43.193 1.00 75.14 N ATOM 0 H HIS A 109 -17.657 -15.880 38.663 1.00 64.20 H new ATOM 0 HA HIS A 109 -15.905 -14.905 40.872 1.00 50.21 H new ATOM 0 HB2 HIS A 109 -16.916 -13.094 39.577 1.00 52.31 H new ATOM 0 HB3 HIS A 109 -18.487 -13.868 39.627 1.00 52.31 H new ATOM 0 HD2 HIS A 109 -20.019 -13.303 41.897 1.00 50.53 H new ATOM 0 HE1 HIS A 109 -17.129 -10.910 43.872 1.00 11.10 H new ATOM 0 HE2 HIS A 109 -19.541 -11.704 43.892 1.00 75.14 H new ATOM 1803 N HIS A 110 -17.085 -16.354 42.512 1.00 42.01 N ATOM 1804 CA HIS A 110 -17.740 -17.141 43.571 1.00 44.23 C ATOM 1805 C HIS A 110 -18.527 -16.194 44.491 1.00 43.02 C ATOM 1806 O HIS A 110 -17.930 -15.353 45.183 1.00 41.02 O ATOM 1807 CB HIS A 110 -16.682 -17.962 44.359 1.00 53.12 C ATOM 1808 CG HIS A 110 -17.212 -18.754 45.534 1.00 4.21 C ATOM 1809 ND1 HIS A 110 -17.982 -19.895 45.403 1.00 64.44 N ATOM 1810 CD2 HIS A 110 -17.069 -18.563 46.868 1.00 75.33 C ATOM 1811 CE1 HIS A 110 -18.275 -20.366 46.600 1.00 1.20 C ATOM 1812 NE2 HIS A 110 -17.738 -19.577 47.502 1.00 42.14 N ATOM 0 H HIS A 110 -16.105 -16.148 42.707 1.00 42.01 H new ATOM 0 HA HIS A 110 -18.440 -17.851 43.130 1.00 44.23 H new ATOM 0 HB2 HIS A 110 -16.196 -18.651 43.669 1.00 53.12 H new ATOM 0 HB3 HIS A 110 -15.914 -17.279 44.721 1.00 53.12 H new ATOM 0 HD2 HIS A 110 -16.527 -17.759 47.344 1.00 75.33 H new ATOM 0 HE1 HIS A 110 -18.858 -21.252 46.804 1.00 1.20 H new ATOM 0 HE2 HIS A 110 -17.808 -19.699 48.512 1.00 42.14 H new ATOM 1821 N HIS A 111 -19.870 -16.319 44.471 1.00 15.32 N ATOM 1822 CA HIS A 111 -20.768 -15.437 45.247 1.00 64.35 C ATOM 1823 C HIS A 111 -20.884 -15.919 46.711 1.00 70.13 C ATOM 1824 O HIS A 111 -20.354 -16.978 47.077 1.00 74.13 O ATOM 1825 CB HIS A 111 -22.175 -15.322 44.574 1.00 45.41 C ATOM 1826 CG HIS A 111 -23.134 -16.462 44.840 1.00 75.33 C ATOM 1827 ND1 HIS A 111 -23.953 -16.507 45.953 1.00 24.12 N ATOM 1828 CD2 HIS A 111 -23.426 -17.576 44.128 1.00 74.21 C ATOM 1829 CE1 HIS A 111 -24.693 -17.596 45.910 1.00 1.23 C ATOM 1830 NE2 HIS A 111 -24.394 -18.261 44.815 1.00 63.42 N ATOM 0 H HIS A 111 -20.359 -17.026 43.923 1.00 15.32 H new ATOM 0 HA HIS A 111 -20.329 -14.439 45.257 1.00 64.35 H new ATOM 0 HB2 HIS A 111 -22.641 -14.396 44.909 1.00 45.41 H new ATOM 0 HB3 HIS A 111 -22.034 -15.236 43.497 1.00 45.41 H new ATOM 0 HD1 HIS A 111 -23.980 -15.805 46.693 1.00 24.12 H new ATOM 0 HD2 HIS A 111 -22.978 -17.871 43.190 1.00 74.21 H new ATOM 0 HE1 HIS A 111 -25.422 -17.893 46.649 1.00 1.23 H new ATOM 1839 N HIS A 112 -21.585 -15.124 47.538 1.00 12.45 N ATOM 1840 CA HIS A 112 -21.899 -15.482 48.934 1.00 0.45 C ATOM 1841 C HIS A 112 -23.361 -15.070 49.232 1.00 2.10 C ATOM 1842 O HIS A 112 -24.269 -15.899 49.002 1.00 24.12 O ATOM 1843 CB HIS A 112 -20.885 -14.832 49.918 1.00 72.34 C ATOM 1844 CG HIS A 112 -21.145 -15.151 51.370 1.00 3.32 C ATOM 1845 ND1 HIS A 112 -21.829 -14.301 52.208 1.00 10.41 N ATOM 1846 CD2 HIS A 112 -20.851 -16.250 52.116 1.00 41.12 C ATOM 1847 CE1 HIS A 112 -21.930 -14.847 53.401 1.00 50.04 C ATOM 1848 NE2 HIS A 112 -21.352 -16.029 53.376 1.00 44.13 N ATOM 1849 OXT HIS A 112 -23.607 -13.914 49.646 1.00 38.17 O ATOM 0 H HIS A 112 -21.951 -14.214 47.258 1.00 12.45 H new ATOM 0 HA HIS A 112 -21.806 -16.559 49.075 1.00 0.45 H new ATOM 0 HB2 HIS A 112 -19.880 -15.164 49.659 1.00 72.34 H new ATOM 0 HB3 HIS A 112 -20.908 -13.750 49.785 1.00 72.34 H new ATOM 0 HD2 HIS A 112 -20.323 -17.131 51.781 1.00 41.12 H new ATOM 0 HE1 HIS A 112 -22.408 -14.399 54.259 1.00 50.04 H new ATOM 0 HE2 HIS A 112 -21.287 -16.675 54.163 1.00 44.13 H new TER 1858 HIS A 112