USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 44 SER OG : rot -152:sc= -0.36 USER MOD Set 2.2: A 57 THR OG1 : rot -84:sc= 0.729 USER MOD Set 3.1: A 33 LYS NZ :NH3+ 170:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 47 ASN : amide:sc= 1.07 K(o=2.3,f=-7.6!) USER MOD Set 4.1: A 16 SER OG : rot -42:sc= 0.853 USER MOD Set 4.2: A 21 ASN : amide:sc= 0.982 K(o=1.8,f=-4.1!) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.0701 (180deg=-0.602) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.319 K(o=-0.32,f=-3.3!) USER MOD Single : A 10 SER OG : rot -69:sc= 0.872 USER MOD Single : A 13 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.4) USER MOD Single : A 20 THR OG1 : rot 125:sc= 0.593 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.0069 K(o=-0.0069,f=-1) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0825 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 41 SER OG : rot -51:sc= 0.343 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.2) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 141:sc= 0.029 (180deg=-0.326) USER MOD Single : A 65 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=-0.042) USER MOD Single : A 66 HIS : no HD1:sc= -1.2 K(o=-1.2,f=0.33) USER MOD Single : A 67 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.795 19.091 -23.445 1.00 34.01 N ATOM 2 CA MET A 1 -10.245 19.117 -23.739 1.00 50.15 C ATOM 3 C MET A 1 -10.719 17.749 -24.211 1.00 25.35 C ATOM 4 O MET A 1 -10.234 17.243 -25.222 1.00 50.22 O ATOM 5 CB MET A 1 -10.546 20.176 -24.806 1.00 11.51 C ATOM 6 CG MET A 1 -12.007 20.223 -25.230 1.00 32.00 C ATOM 7 SD MET A 1 -12.328 21.487 -26.471 1.00 65.34 S ATOM 8 CE MET A 1 -11.974 22.968 -25.529 1.00 54.51 C ATOM 0 H1 MET A 1 -8.489 20.032 -23.125 1.00 34.01 H new ATOM 0 H2 MET A 1 -8.605 18.392 -22.699 1.00 34.01 H new ATOM 0 H3 MET A 1 -8.271 18.831 -24.305 1.00 34.01 H new ATOM 0 HA MET A 1 -10.780 19.372 -22.824 1.00 50.15 H new ATOM 0 HB2 MET A 1 -10.256 21.155 -24.425 1.00 11.51 H new ATOM 0 HB3 MET A 1 -9.929 19.980 -25.683 1.00 11.51 H new ATOM 0 HG2 MET A 1 -12.298 19.250 -25.625 1.00 32.00 H new ATOM 0 HG3 MET A 1 -12.629 20.412 -24.355 1.00 32.00 H new ATOM 0 HE1 MET A 1 -12.463 23.822 -25.997 1.00 54.51 H new ATOM 0 HE2 MET A 1 -12.346 22.849 -24.511 1.00 54.51 H new ATOM 0 HE3 MET A 1 -10.897 23.135 -25.505 1.00 54.51 H new ATOM 20 N ILE A 2 -11.652 17.163 -23.449 1.00 20.34 N ATOM 21 CA ILE A 2 -12.275 15.867 -23.755 1.00 22.32 C ATOM 22 C ILE A 2 -11.254 14.823 -24.230 1.00 41.41 C ATOM 23 O ILE A 2 -11.014 14.635 -25.425 1.00 0.02 O ATOM 24 CB ILE A 2 -13.480 15.979 -24.742 1.00 53.21 C ATOM 25 CG1 ILE A 2 -14.118 14.603 -24.962 1.00 74.41 C ATOM 26 CG2 ILE A 2 -13.091 16.608 -26.076 1.00 3.21 C ATOM 27 CD1 ILE A 2 -14.704 13.997 -23.705 1.00 15.44 C ATOM 0 H ILE A 2 -12.001 17.583 -22.588 1.00 20.34 H new ATOM 0 HA ILE A 2 -12.684 15.514 -22.808 1.00 22.32 H new ATOM 0 HB ILE A 2 -14.209 16.645 -24.281 1.00 53.21 H new ATOM 0 HG12 ILE A 2 -14.904 14.692 -25.712 1.00 74.41 H new ATOM 0 HG13 ILE A 2 -13.367 13.924 -25.366 1.00 74.41 H new ATOM 0 HG21 ILE A 2 -13.967 16.661 -26.723 1.00 3.21 H new ATOM 0 HG22 ILE A 2 -12.705 17.613 -25.906 1.00 3.21 H new ATOM 0 HG23 ILE A 2 -12.323 16.000 -26.555 1.00 3.21 H new ATOM 0 HD11 ILE A 2 -15.138 13.024 -23.938 1.00 15.44 H new ATOM 0 HD12 ILE A 2 -13.918 13.875 -22.959 1.00 15.44 H new ATOM 0 HD13 ILE A 2 -15.479 14.655 -23.311 1.00 15.44 H new ATOM 39 N GLY A 3 -10.649 14.145 -23.274 1.00 43.35 N ATOM 40 CA GLY A 3 -9.641 13.159 -23.589 1.00 52.14 C ATOM 41 C GLY A 3 -8.912 12.695 -22.354 1.00 71.24 C ATOM 42 O GLY A 3 -7.690 12.536 -22.360 1.00 52.42 O ATOM 0 H GLY A 3 -10.839 14.260 -22.278 1.00 43.35 H new ATOM 0 HA2 GLY A 3 -10.108 12.305 -24.079 1.00 52.14 H new ATOM 0 HA3 GLY A 3 -8.927 13.581 -24.296 1.00 52.14 H new ATOM 46 N ASP A 4 -9.659 12.496 -21.283 1.00 72.12 N ATOM 47 CA ASP A 4 -9.080 12.058 -20.027 1.00 20.33 C ATOM 48 C ASP A 4 -9.604 10.686 -19.642 1.00 51.21 C ATOM 49 O ASP A 4 -10.812 10.476 -19.517 1.00 13.31 O ATOM 50 CB ASP A 4 -9.379 13.060 -18.911 1.00 3.32 C ATOM 51 CG ASP A 4 -8.860 12.587 -17.568 1.00 64.22 C ATOM 52 OD1 ASP A 4 -7.667 12.810 -17.276 1.00 15.50 O ATOM 53 OD2 ASP A 4 -9.646 11.994 -16.800 1.00 23.04 O ATOM 0 H ASP A 4 -10.670 12.631 -21.259 1.00 72.12 H new ATOM 0 HA ASP A 4 -8.000 11.997 -20.162 1.00 20.33 H new ATOM 0 HB2 ASP A 4 -8.927 14.021 -19.156 1.00 3.32 H new ATOM 0 HB3 ASP A 4 -10.455 13.221 -18.847 1.00 3.32 H new ATOM 58 N TYR A 5 -8.686 9.750 -19.484 1.00 51.13 N ATOM 59 CA TYR A 5 -9.017 8.414 -19.020 1.00 65.41 C ATOM 60 C TYR A 5 -7.841 7.851 -18.230 1.00 72.42 C ATOM 61 O TYR A 5 -7.808 6.667 -17.886 1.00 22.11 O ATOM 62 CB TYR A 5 -9.358 7.495 -20.205 1.00 51.34 C ATOM 63 CG TYR A 5 -8.200 7.243 -21.153 1.00 63.32 C ATOM 64 CD1 TYR A 5 -7.898 8.136 -22.176 1.00 53.52 C ATOM 65 CD2 TYR A 5 -7.407 6.109 -21.021 1.00 14.52 C ATOM 66 CE1 TYR A 5 -6.841 7.904 -23.037 1.00 65.20 C ATOM 67 CE2 TYR A 5 -6.348 5.873 -21.878 1.00 14.12 C ATOM 68 CZ TYR A 5 -6.069 6.772 -22.883 1.00 35.34 C ATOM 69 OH TYR A 5 -5.015 6.541 -23.738 1.00 23.50 O ATOM 0 H TYR A 5 -7.694 9.893 -19.673 1.00 51.13 H new ATOM 0 HA TYR A 5 -9.894 8.467 -18.375 1.00 65.41 H new ATOM 0 HB2 TYR A 5 -9.711 6.539 -19.818 1.00 51.34 H new ATOM 0 HB3 TYR A 5 -10.182 7.936 -20.766 1.00 51.34 H new ATOM 0 HD1 TYR A 5 -8.499 9.025 -22.300 1.00 53.52 H new ATOM 0 HD2 TYR A 5 -7.622 5.400 -20.235 1.00 14.52 H new ATOM 0 HE1 TYR A 5 -6.621 8.607 -23.827 1.00 65.20 H new ATOM 0 HE2 TYR A 5 -5.742 4.987 -21.760 1.00 14.12 H new ATOM 0 HH TYR A 5 -4.573 5.701 -23.493 1.00 23.50 H new ATOM 79 N TYR A 6 -6.882 8.720 -17.935 1.00 41.00 N ATOM 80 CA TYR A 6 -5.655 8.307 -17.279 1.00 43.13 C ATOM 81 C TYR A 6 -5.630 8.824 -15.847 1.00 31.23 C ATOM 82 O TYR A 6 -4.973 9.823 -15.542 1.00 25.41 O ATOM 83 CB TYR A 6 -4.446 8.816 -18.067 1.00 22.03 C ATOM 84 CG TYR A 6 -3.247 7.894 -18.017 1.00 65.11 C ATOM 85 CD1 TYR A 6 -3.316 6.614 -18.554 1.00 53.15 C ATOM 86 CD2 TYR A 6 -2.046 8.306 -17.456 1.00 44.42 C ATOM 87 CE1 TYR A 6 -2.223 5.772 -18.535 1.00 63.25 C ATOM 88 CE2 TYR A 6 -0.947 7.467 -17.431 1.00 41.24 C ATOM 89 CZ TYR A 6 -1.043 6.202 -17.972 1.00 3.21 C ATOM 90 OH TYR A 6 0.051 5.366 -17.962 1.00 52.40 O ATOM 0 H TYR A 6 -6.934 9.717 -18.142 1.00 41.00 H new ATOM 0 HA TYR A 6 -5.611 7.218 -17.249 1.00 43.13 H new ATOM 0 HB2 TYR A 6 -4.738 8.960 -19.107 1.00 22.03 H new ATOM 0 HB3 TYR A 6 -4.157 9.793 -17.679 1.00 22.03 H new ATOM 0 HD1 TYR A 6 -4.241 6.272 -18.994 1.00 53.15 H new ATOM 0 HD2 TYR A 6 -1.969 9.297 -17.033 1.00 44.42 H new ATOM 0 HE1 TYR A 6 -2.293 4.781 -18.959 1.00 63.25 H new ATOM 0 HE2 TYR A 6 -0.019 7.800 -16.990 1.00 41.24 H new ATOM 0 HH TYR A 6 0.805 5.819 -17.530 1.00 52.40 H new ATOM 100 N ILE A 7 -6.402 8.157 -14.998 1.00 61.22 N ATOM 101 CA ILE A 7 -6.523 8.504 -13.590 1.00 35.50 C ATOM 102 C ILE A 7 -7.540 7.574 -12.929 1.00 44.10 C ATOM 103 O ILE A 7 -8.583 7.280 -13.518 1.00 13.54 O ATOM 104 CB ILE A 7 -6.946 9.985 -13.384 1.00 61.54 C ATOM 105 CG1 ILE A 7 -6.961 10.343 -11.893 1.00 43.02 C ATOM 106 CG2 ILE A 7 -8.303 10.262 -14.021 1.00 33.03 C ATOM 107 CD1 ILE A 7 -7.296 11.794 -11.617 1.00 60.00 C ATOM 0 H ILE A 7 -6.966 7.353 -15.271 1.00 61.22 H new ATOM 0 HA ILE A 7 -5.543 8.382 -13.128 1.00 35.50 H new ATOM 0 HB ILE A 7 -6.209 10.617 -13.879 1.00 61.54 H new ATOM 0 HG12 ILE A 7 -7.687 9.709 -11.384 1.00 43.02 H new ATOM 0 HG13 ILE A 7 -5.984 10.117 -11.465 1.00 43.02 H new ATOM 0 HG21 ILE A 7 -8.574 11.306 -13.861 1.00 33.03 H new ATOM 0 HG22 ILE A 7 -8.251 10.060 -15.091 1.00 33.03 H new ATOM 0 HG23 ILE A 7 -9.056 9.618 -13.567 1.00 33.03 H new ATOM 0 HD11 ILE A 7 -7.287 11.971 -10.542 1.00 60.00 H new ATOM 0 HD12 ILE A 7 -6.557 12.436 -12.096 1.00 60.00 H new ATOM 0 HD13 ILE A 7 -8.285 12.021 -12.014 1.00 60.00 H new ATOM 119 N ASN A 8 -7.218 7.097 -11.725 1.00 24.10 N ATOM 120 CA ASN A 8 -8.079 6.165 -10.984 1.00 3.32 C ATOM 121 C ASN A 8 -8.269 4.844 -11.733 1.00 3.22 C ATOM 122 O ASN A 8 -7.530 3.881 -11.518 1.00 73.44 O ATOM 123 CB ASN A 8 -9.450 6.791 -10.683 1.00 3.44 C ATOM 124 CG ASN A 8 -9.432 7.746 -9.506 1.00 52.01 C ATOM 125 OD1 ASN A 8 -9.124 8.931 -9.649 1.00 73.50 O ATOM 126 ND2 ASN A 8 -9.796 7.245 -8.337 1.00 12.01 N ATOM 0 H ASN A 8 -6.358 7.343 -11.235 1.00 24.10 H new ATOM 0 HA ASN A 8 -7.571 5.954 -10.043 1.00 3.32 H new ATOM 0 HB2 ASN A 8 -9.800 7.323 -11.568 1.00 3.44 H new ATOM 0 HB3 ASN A 8 -10.168 5.996 -10.485 1.00 3.44 H new ATOM 0 HD21 ASN A 8 -9.829 7.845 -7.513 1.00 12.01 H new ATOM 0 HD22 ASN A 8 -10.044 6.259 -8.260 1.00 12.01 H new ATOM 133 N ALA A 9 -9.241 4.809 -12.637 1.00 44.33 N ATOM 134 CA ALA A 9 -9.588 3.584 -13.340 1.00 63.42 C ATOM 135 C ALA A 9 -8.958 3.553 -14.727 1.00 45.52 C ATOM 136 O ALA A 9 -9.576 3.948 -15.719 1.00 60.43 O ATOM 137 CB ALA A 9 -11.099 3.429 -13.428 1.00 63.03 C ATOM 0 H ALA A 9 -9.803 5.619 -12.900 1.00 44.33 H new ATOM 0 HA ALA A 9 -9.189 2.742 -12.773 1.00 63.42 H new ATOM 0 HB1 ALA A 9 -11.340 2.507 -13.957 1.00 63.03 H new ATOM 0 HB2 ALA A 9 -11.520 3.391 -12.423 1.00 63.03 H new ATOM 0 HB3 ALA A 9 -11.521 4.277 -13.967 1.00 63.03 H new ATOM 143 N SER A 10 -7.714 3.110 -14.782 1.00 42.14 N ATOM 144 CA SER A 10 -7.007 2.976 -16.042 1.00 11.12 C ATOM 145 C SER A 10 -6.481 1.553 -16.201 1.00 3.43 C ATOM 146 O SER A 10 -6.771 0.890 -17.196 1.00 65.33 O ATOM 147 CB SER A 10 -5.863 3.988 -16.121 1.00 44.31 C ATOM 148 OG SER A 10 -6.347 5.310 -15.952 1.00 73.12 O ATOM 0 H SER A 10 -7.171 2.836 -13.963 1.00 42.14 H new ATOM 0 HA SER A 10 -7.700 3.181 -16.858 1.00 11.12 H new ATOM 0 HB2 SER A 10 -5.122 3.766 -15.353 1.00 44.31 H new ATOM 0 HB3 SER A 10 -5.360 3.900 -17.084 1.00 44.31 H new ATOM 0 HG SER A 10 -6.885 5.563 -16.731 1.00 73.12 H new ATOM 154 N ALA A 11 -5.721 1.087 -15.210 1.00 24.13 N ATOM 155 CA ALA A 11 -5.201 -0.275 -15.210 1.00 14.22 C ATOM 156 C ALA A 11 -4.589 -0.620 -13.858 1.00 13.44 C ATOM 157 O ALA A 11 -5.258 -1.159 -12.979 1.00 73.32 O ATOM 158 CB ALA A 11 -4.173 -0.466 -16.320 1.00 22.33 C ATOM 0 H ALA A 11 -5.452 1.638 -14.395 1.00 24.13 H new ATOM 0 HA ALA A 11 -6.036 -0.951 -15.395 1.00 14.22 H new ATOM 0 HB1 ALA A 11 -3.800 -1.490 -16.299 1.00 22.33 H new ATOM 0 HB2 ALA A 11 -4.639 -0.270 -17.285 1.00 22.33 H new ATOM 0 HB3 ALA A 11 -3.343 0.225 -16.170 1.00 22.33 H new ATOM 164 N LEU A 12 -3.325 -0.262 -13.680 1.00 53.44 N ATOM 165 CA LEU A 12 -2.599 -0.587 -12.463 1.00 1.51 C ATOM 166 C LEU A 12 -2.795 0.507 -11.418 1.00 54.44 C ATOM 167 O LEU A 12 -2.690 1.693 -11.728 1.00 21.45 O ATOM 168 CB LEU A 12 -1.115 -0.761 -12.782 1.00 53.11 C ATOM 169 CG LEU A 12 -0.796 -1.851 -13.811 1.00 64.32 C ATOM 170 CD1 LEU A 12 0.656 -1.766 -14.248 1.00 14.30 C ATOM 171 CD2 LEU A 12 -1.099 -3.230 -13.238 1.00 35.32 C ATOM 0 H LEU A 12 -2.779 0.257 -14.368 1.00 53.44 H new ATOM 0 HA LEU A 12 -2.987 -1.521 -12.056 1.00 1.51 H new ATOM 0 HB2 LEU A 12 -0.724 0.188 -13.148 1.00 53.11 H new ATOM 0 HB3 LEU A 12 -0.585 -0.989 -11.857 1.00 53.11 H new ATOM 0 HG LEU A 12 -1.428 -1.692 -14.685 1.00 64.32 H new ATOM 0 HD11 LEU A 12 0.862 -2.548 -14.979 1.00 14.30 H new ATOM 0 HD12 LEU A 12 0.844 -0.791 -14.697 1.00 14.30 H new ATOM 0 HD13 LEU A 12 1.305 -1.898 -13.382 1.00 14.30 H new ATOM 0 HD21 LEU A 12 -0.867 -3.992 -13.982 1.00 35.32 H new ATOM 0 HD22 LEU A 12 -0.492 -3.395 -12.348 1.00 35.32 H new ATOM 0 HD23 LEU A 12 -2.155 -3.290 -12.974 1.00 35.32 H new ATOM 183 N ASN A 13 -3.094 0.111 -10.188 1.00 32.04 N ATOM 184 CA ASN A 13 -3.351 1.079 -9.125 1.00 0.51 C ATOM 185 C ASN A 13 -2.343 0.960 -7.990 1.00 43.25 C ATOM 186 O ASN A 13 -1.594 1.895 -7.718 1.00 31.34 O ATOM 187 CB ASN A 13 -4.763 0.883 -8.569 1.00 44.34 C ATOM 188 CG ASN A 13 -5.849 1.285 -9.547 1.00 1.21 C ATOM 189 OD1 ASN A 13 -6.903 0.656 -9.608 1.00 3.00 O ATOM 190 ND2 ASN A 13 -5.606 2.341 -10.309 1.00 61.33 N ATOM 0 H ASN A 13 -3.165 -0.865 -9.901 1.00 32.04 H new ATOM 0 HA ASN A 13 -3.254 2.073 -9.561 1.00 0.51 H new ATOM 0 HB2 ASN A 13 -4.897 -0.164 -8.296 1.00 44.34 H new ATOM 0 HB3 ASN A 13 -4.871 1.467 -7.655 1.00 44.34 H new ATOM 0 HD21 ASN A 13 -6.307 2.660 -10.978 1.00 61.33 H new ATOM 0 HD22 ASN A 13 -4.718 2.835 -10.227 1.00 61.33 H new ATOM 197 N VAL A 14 -2.298 -0.210 -7.361 1.00 52.00 N ATOM 198 CA VAL A 14 -1.494 -0.405 -6.159 1.00 24.45 C ATOM 199 C VAL A 14 -0.004 -0.494 -6.493 1.00 42.12 C ATOM 200 O VAL A 14 0.776 0.369 -6.093 1.00 54.24 O ATOM 201 CB VAL A 14 -1.932 -1.676 -5.401 1.00 73.51 C ATOM 202 CG1 VAL A 14 -1.367 -1.681 -3.993 1.00 61.24 C ATOM 203 CG2 VAL A 14 -3.452 -1.791 -5.369 1.00 33.21 C ATOM 0 H VAL A 14 -2.810 -1.039 -7.664 1.00 52.00 H new ATOM 0 HA VAL A 14 -1.656 0.463 -5.520 1.00 24.45 H new ATOM 0 HB VAL A 14 -1.536 -2.541 -5.933 1.00 73.51 H new ATOM 0 HG11 VAL A 14 -1.687 -2.585 -3.476 1.00 61.24 H new ATOM 0 HG12 VAL A 14 -0.278 -1.655 -4.038 1.00 61.24 H new ATOM 0 HG13 VAL A 14 -1.729 -0.806 -3.453 1.00 61.24 H new ATOM 0 HG21 VAL A 14 -3.737 -2.694 -4.830 1.00 33.21 H new ATOM 0 HG22 VAL A 14 -3.872 -0.920 -4.866 1.00 33.21 H new ATOM 0 HG23 VAL A 14 -3.835 -1.841 -6.388 1.00 33.21 H new ATOM 213 N ARG A 15 0.378 -1.551 -7.213 1.00 22.23 N ATOM 214 CA ARG A 15 1.749 -1.716 -7.727 1.00 15.05 C ATOM 215 C ARG A 15 2.808 -1.713 -6.617 1.00 42.01 C ATOM 216 O ARG A 15 3.995 -1.513 -6.893 1.00 40.21 O ATOM 217 CB ARG A 15 2.071 -0.603 -8.729 1.00 42.43 C ATOM 218 CG ARG A 15 1.095 -0.521 -9.890 1.00 42.15 C ATOM 219 CD ARG A 15 0.513 0.877 -10.029 1.00 13.21 C ATOM 220 NE ARG A 15 1.516 1.870 -10.404 1.00 33.34 N ATOM 221 CZ ARG A 15 1.535 3.122 -9.944 1.00 11.31 C ATOM 222 NH1 ARG A 15 0.662 3.512 -9.019 1.00 4.04 N ATOM 223 NH2 ARG A 15 2.451 3.972 -10.391 1.00 22.03 N ATOM 0 H ARG A 15 -0.249 -2.317 -7.458 1.00 22.23 H new ATOM 0 HA ARG A 15 1.784 -2.691 -8.212 1.00 15.05 H new ATOM 0 HB2 ARG A 15 2.079 0.353 -8.205 1.00 42.43 H new ATOM 0 HB3 ARG A 15 3.076 -0.760 -9.122 1.00 42.43 H new ATOM 0 HG2 ARG A 15 1.602 -0.799 -10.814 1.00 42.15 H new ATOM 0 HG3 ARG A 15 0.289 -1.239 -9.741 1.00 42.15 H new ATOM 0 HD2 ARG A 15 -0.278 0.864 -10.779 1.00 13.21 H new ATOM 0 HD3 ARG A 15 0.053 1.170 -9.085 1.00 13.21 H new ATOM 0 HE ARG A 15 2.247 1.589 -11.058 1.00 33.34 H new ATOM 0 HH11 ARG A 15 -0.027 2.852 -8.658 1.00 4.04 H new ATOM 0 HH12 ARG A 15 0.682 4.471 -8.671 1.00 4.04 H new ATOM 0 HH21 ARG A 15 3.136 3.667 -11.083 1.00 22.03 H new ATOM 0 HH22 ARG A 15 2.470 4.931 -10.043 1.00 22.03 H new ATOM 237 N SER A 16 2.382 -1.937 -5.374 1.00 1.02 N ATOM 238 CA SER A 16 3.290 -1.935 -4.227 1.00 63.42 C ATOM 239 C SER A 16 3.933 -0.549 -4.062 1.00 52.31 C ATOM 240 O SER A 16 5.017 -0.411 -3.488 1.00 43.12 O ATOM 241 CB SER A 16 4.366 -3.018 -4.402 1.00 33.23 C ATOM 242 OG SER A 16 5.240 -3.078 -3.287 1.00 3.30 O ATOM 0 H SER A 16 1.408 -2.123 -5.135 1.00 1.02 H new ATOM 0 HA SER A 16 2.721 -2.159 -3.324 1.00 63.42 H new ATOM 0 HB2 SER A 16 3.887 -3.987 -4.541 1.00 33.23 H new ATOM 0 HB3 SER A 16 4.942 -2.815 -5.305 1.00 33.23 H new ATOM 0 HG SER A 16 5.465 -2.169 -2.999 1.00 3.30 H new ATOM 248 N GLY A 17 3.244 0.474 -4.557 1.00 70.10 N ATOM 249 CA GLY A 17 3.768 1.822 -4.517 1.00 45.24 C ATOM 250 C GLY A 17 3.541 2.534 -5.832 1.00 22.33 C ATOM 251 O GLY A 17 2.411 2.882 -6.169 1.00 74.52 O ATOM 0 H GLY A 17 2.324 0.389 -4.988 1.00 70.10 H new ATOM 0 HA2 GLY A 17 3.288 2.378 -3.711 1.00 45.24 H new ATOM 0 HA3 GLY A 17 4.835 1.794 -4.294 1.00 45.24 H new ATOM 255 N GLU A 18 4.612 2.745 -6.583 1.00 12.20 N ATOM 256 CA GLU A 18 4.503 3.310 -7.923 1.00 23.41 C ATOM 257 C GLU A 18 5.025 2.320 -8.955 1.00 71.04 C ATOM 258 O GLU A 18 5.260 2.670 -10.112 1.00 64.13 O ATOM 259 CB GLU A 18 5.274 4.623 -8.030 1.00 41.24 C ATOM 260 CG GLU A 18 4.666 5.770 -7.238 1.00 71.23 C ATOM 261 CD GLU A 18 5.331 7.096 -7.548 1.00 61.32 C ATOM 262 OE1 GLU A 18 5.003 7.696 -8.593 1.00 61.22 O ATOM 263 OE2 GLU A 18 6.192 7.536 -6.758 1.00 31.51 O ATOM 0 H GLU A 18 5.566 2.534 -6.289 1.00 12.20 H new ATOM 0 HA GLU A 18 3.450 3.513 -8.118 1.00 23.41 H new ATOM 0 HB2 GLU A 18 6.296 4.460 -7.686 1.00 41.24 H new ATOM 0 HB3 GLU A 18 5.333 4.912 -9.079 1.00 41.24 H new ATOM 0 HG2 GLU A 18 3.601 5.839 -7.461 1.00 71.23 H new ATOM 0 HG3 GLU A 18 4.756 5.561 -6.172 1.00 71.23 H new ATOM 270 N GLY A 19 5.183 1.079 -8.527 1.00 60.12 N ATOM 271 CA GLY A 19 5.723 0.052 -9.393 1.00 43.33 C ATOM 272 C GLY A 19 6.891 -0.656 -8.749 1.00 24.31 C ATOM 273 O GLY A 19 7.946 -0.818 -9.358 1.00 73.20 O ATOM 0 H GLY A 19 4.945 0.762 -7.587 1.00 60.12 H new ATOM 0 HA2 GLY A 19 4.944 -0.672 -9.631 1.00 43.33 H new ATOM 0 HA3 GLY A 19 6.041 0.499 -10.335 1.00 43.33 H new ATOM 277 N THR A 20 6.703 -1.070 -7.508 1.00 4.45 N ATOM 278 CA THR A 20 7.763 -1.705 -6.748 1.00 34.24 C ATOM 279 C THR A 20 7.663 -3.218 -6.883 1.00 74.03 C ATOM 280 O THR A 20 8.669 -3.926 -6.921 1.00 52.53 O ATOM 281 CB THR A 20 7.673 -1.315 -5.261 1.00 53.33 C ATOM 282 OG1 THR A 20 7.346 0.077 -5.145 1.00 1.13 O ATOM 283 CG2 THR A 20 8.986 -1.592 -4.539 1.00 44.43 C ATOM 0 H THR A 20 5.821 -0.977 -7.004 1.00 4.45 H new ATOM 0 HA THR A 20 8.720 -1.366 -7.143 1.00 34.24 H new ATOM 0 HB THR A 20 6.893 -1.919 -4.798 1.00 53.33 H new ATOM 0 HG1 THR A 20 6.541 0.179 -4.596 1.00 1.13 H new ATOM 0 HG21 THR A 20 8.892 -1.307 -3.491 1.00 44.43 H new ATOM 0 HG22 THR A 20 9.221 -2.654 -4.606 1.00 44.43 H new ATOM 0 HG23 THR A 20 9.785 -1.013 -5.002 1.00 44.43 H new ATOM 291 N ASN A 21 6.433 -3.696 -6.960 1.00 62.01 N ATOM 292 CA ASN A 21 6.162 -5.106 -7.164 1.00 24.21 C ATOM 293 C ASN A 21 4.998 -5.266 -8.115 1.00 30.32 C ATOM 294 O ASN A 21 4.059 -4.474 -8.091 1.00 2.54 O ATOM 295 CB ASN A 21 5.843 -5.817 -5.844 1.00 72.31 C ATOM 296 CG ASN A 21 7.079 -6.303 -5.116 1.00 14.21 C ATOM 297 OD1 ASN A 21 7.547 -7.417 -5.349 1.00 73.24 O ATOM 298 ND2 ASN A 21 7.599 -5.487 -4.214 1.00 43.24 N ATOM 0 H ASN A 21 5.596 -3.118 -6.883 1.00 62.01 H new ATOM 0 HA ASN A 21 7.058 -5.562 -7.586 1.00 24.21 H new ATOM 0 HB2 ASN A 21 5.291 -5.136 -5.196 1.00 72.31 H new ATOM 0 HB3 ASN A 21 5.190 -6.666 -6.044 1.00 72.31 H new ATOM 0 HD21 ASN A 21 8.420 -5.773 -3.680 1.00 43.24 H new ATOM 0 HD22 ASN A 21 7.179 -4.572 -4.052 1.00 43.24 H new ATOM 305 N TYR A 22 5.088 -6.264 -8.971 1.00 61.53 N ATOM 306 CA TYR A 22 4.014 -6.591 -9.890 1.00 71.41 C ATOM 307 C TYR A 22 3.686 -8.074 -9.811 1.00 43.31 C ATOM 308 O TYR A 22 2.656 -8.534 -10.308 1.00 15.12 O ATOM 309 CB TYR A 22 4.412 -6.196 -11.307 1.00 61.11 C ATOM 310 CG TYR A 22 4.326 -4.710 -11.543 1.00 61.53 C ATOM 311 CD1 TYR A 22 3.099 -4.125 -11.782 1.00 42.25 C ATOM 312 CD2 TYR A 22 5.456 -3.894 -11.522 1.00 44.21 C ATOM 313 CE1 TYR A 22 2.984 -2.769 -12.000 1.00 30.43 C ATOM 314 CE2 TYR A 22 5.349 -2.534 -11.738 1.00 75.14 C ATOM 315 CZ TYR A 22 4.109 -1.976 -11.977 1.00 54.32 C ATOM 316 OH TYR A 22 3.993 -0.624 -12.194 1.00 34.12 O ATOM 0 H TYR A 22 5.905 -6.870 -9.050 1.00 61.53 H new ATOM 0 HA TYR A 22 3.120 -6.033 -9.612 1.00 71.41 H new ATOM 0 HB2 TYR A 22 5.431 -6.532 -11.501 1.00 61.11 H new ATOM 0 HB3 TYR A 22 3.766 -6.711 -12.018 1.00 61.11 H new ATOM 0 HD1 TYR A 22 2.212 -4.741 -11.799 1.00 42.25 H new ATOM 0 HD2 TYR A 22 6.426 -4.330 -11.335 1.00 44.21 H new ATOM 0 HE1 TYR A 22 2.015 -2.330 -12.188 1.00 30.43 H new ATOM 0 HE2 TYR A 22 6.231 -1.910 -11.720 1.00 75.14 H new ATOM 0 HH TYR A 22 4.879 -0.207 -12.144 1.00 34.12 H new ATOM 326 N ARG A 23 4.586 -8.811 -9.181 1.00 73.21 N ATOM 327 CA ARG A 23 4.413 -10.243 -8.948 1.00 50.54 C ATOM 328 C ARG A 23 3.343 -10.503 -7.887 1.00 53.43 C ATOM 329 O ARG A 23 2.426 -11.293 -8.099 1.00 33.42 O ATOM 330 CB ARG A 23 5.750 -10.873 -8.529 1.00 41.05 C ATOM 331 CG ARG A 23 6.451 -10.125 -7.402 1.00 32.05 C ATOM 332 CD ARG A 23 7.842 -10.672 -7.126 1.00 12.54 C ATOM 333 NE ARG A 23 8.595 -9.803 -6.221 1.00 24.30 N ATOM 334 CZ ARG A 23 9.860 -10.014 -5.859 1.00 62.32 C ATOM 335 NH1 ARG A 23 10.511 -11.090 -6.285 1.00 2.32 N ATOM 336 NH2 ARG A 23 10.473 -9.140 -5.068 1.00 4.51 N ATOM 0 H ARG A 23 5.461 -8.436 -8.814 1.00 73.21 H new ATOM 0 HA ARG A 23 4.080 -10.704 -9.878 1.00 50.54 H new ATOM 0 HB2 ARG A 23 5.575 -11.902 -8.216 1.00 41.05 H new ATOM 0 HB3 ARG A 23 6.411 -10.911 -9.395 1.00 41.05 H new ATOM 0 HG2 ARG A 23 6.523 -9.068 -7.660 1.00 32.05 H new ATOM 0 HG3 ARG A 23 5.850 -10.192 -6.495 1.00 32.05 H new ATOM 0 HD2 ARG A 23 7.762 -11.668 -6.691 1.00 12.54 H new ATOM 0 HD3 ARG A 23 8.385 -10.777 -8.065 1.00 12.54 H new ATOM 0 HE ARG A 23 8.121 -8.983 -5.843 1.00 24.30 H new ATOM 0 HH11 ARG A 23 10.043 -11.762 -6.893 1.00 2.32 H new ATOM 0 HH12 ARG A 23 11.479 -11.245 -6.004 1.00 2.32 H new ATOM 0 HH21 ARG A 23 9.975 -8.312 -4.741 1.00 4.51 H new ATOM 0 HH22 ARG A 23 11.441 -9.297 -4.788 1.00 4.51 H new ATOM 350 N ILE A 24 3.457 -9.820 -6.754 1.00 71.31 N ATOM 351 CA ILE A 24 2.521 -10.005 -5.651 1.00 72.13 C ATOM 352 C ILE A 24 1.425 -8.942 -5.662 1.00 15.13 C ATOM 353 O ILE A 24 0.235 -9.258 -5.690 1.00 72.41 O ATOM 354 CB ILE A 24 3.249 -9.999 -4.279 1.00 0.34 C ATOM 355 CG1 ILE A 24 2.242 -9.807 -3.138 1.00 4.22 C ATOM 356 CG2 ILE A 24 4.331 -8.924 -4.237 1.00 1.02 C ATOM 357 CD1 ILE A 24 2.850 -9.904 -1.758 1.00 60.23 C ATOM 0 H ILE A 24 4.189 -9.132 -6.575 1.00 71.31 H new ATOM 0 HA ILE A 24 2.057 -10.981 -5.792 1.00 72.13 H new ATOM 0 HB ILE A 24 3.736 -10.965 -4.148 1.00 0.34 H new ATOM 0 HG12 ILE A 24 1.767 -8.832 -3.247 1.00 4.22 H new ATOM 0 HG13 ILE A 24 1.456 -10.557 -3.231 1.00 4.22 H new ATOM 0 HG21 ILE A 24 4.824 -8.942 -3.265 1.00 1.02 H new ATOM 0 HG22 ILE A 24 5.065 -9.115 -5.020 1.00 1.02 H new ATOM 0 HG23 ILE A 24 3.878 -7.945 -4.396 1.00 1.02 H new ATOM 0 HD11 ILE A 24 2.074 -9.757 -1.007 1.00 60.23 H new ATOM 0 HD12 ILE A 24 3.300 -10.888 -1.627 1.00 60.23 H new ATOM 0 HD13 ILE A 24 3.616 -9.137 -1.643 1.00 60.23 H new ATOM 369 N ILE A 25 1.832 -7.685 -5.653 1.00 31.33 N ATOM 370 CA ILE A 25 0.895 -6.585 -5.582 1.00 33.13 C ATOM 371 C ILE A 25 0.706 -5.981 -6.967 1.00 4.24 C ATOM 372 O ILE A 25 1.675 -5.642 -7.634 1.00 34.42 O ATOM 373 CB ILE A 25 1.387 -5.502 -4.594 1.00 0.23 C ATOM 374 CG1 ILE A 25 1.620 -6.098 -3.202 1.00 13.12 C ATOM 375 CG2 ILE A 25 0.396 -4.361 -4.528 1.00 42.15 C ATOM 376 CD1 ILE A 25 2.136 -5.098 -2.183 1.00 33.14 C ATOM 0 H ILE A 25 2.811 -7.403 -5.694 1.00 31.33 H new ATOM 0 HA ILE A 25 -0.059 -6.967 -5.220 1.00 33.13 H new ATOM 0 HB ILE A 25 2.339 -5.114 -4.957 1.00 0.23 H new ATOM 0 HG12 ILE A 25 0.684 -6.523 -2.838 1.00 13.12 H new ATOM 0 HG13 ILE A 25 2.332 -6.919 -3.284 1.00 13.12 H new ATOM 0 HG21 ILE A 25 0.756 -3.606 -3.829 1.00 42.15 H new ATOM 0 HG22 ILE A 25 0.287 -3.916 -5.517 1.00 42.15 H new ATOM 0 HG23 ILE A 25 -0.570 -4.737 -4.191 1.00 42.15 H new ATOM 0 HD11 ILE A 25 2.276 -5.596 -1.223 1.00 33.14 H new ATOM 0 HD12 ILE A 25 3.088 -4.691 -2.523 1.00 33.14 H new ATOM 0 HD13 ILE A 25 1.415 -4.288 -2.070 1.00 33.14 H new ATOM 388 N GLY A 26 -0.537 -5.867 -7.405 1.00 0.44 N ATOM 389 CA GLY A 26 -0.809 -5.303 -8.714 1.00 5.34 C ATOM 390 C GLY A 26 -1.936 -4.300 -8.668 1.00 31.31 C ATOM 391 O GLY A 26 -1.775 -3.198 -8.141 1.00 22.24 O ATOM 0 H GLY A 26 -1.363 -6.154 -6.880 1.00 0.44 H new ATOM 0 HA2 GLY A 26 0.091 -4.822 -9.097 1.00 5.34 H new ATOM 0 HA3 GLY A 26 -1.063 -6.103 -9.409 1.00 5.34 H new ATOM 395 N ALA A 27 -3.076 -4.675 -9.221 1.00 15.14 N ATOM 396 CA ALA A 27 -4.262 -3.845 -9.142 1.00 41.33 C ATOM 397 C ALA A 27 -5.459 -4.681 -8.727 1.00 42.20 C ATOM 398 O ALA A 27 -6.129 -5.288 -9.562 1.00 55.00 O ATOM 399 CB ALA A 27 -4.528 -3.156 -10.470 1.00 23.53 C ATOM 0 H ALA A 27 -3.204 -5.550 -9.730 1.00 15.14 H new ATOM 0 HA ALA A 27 -4.095 -3.075 -8.389 1.00 41.33 H new ATOM 0 HB1 ALA A 27 -5.423 -2.539 -10.387 1.00 23.53 H new ATOM 0 HB2 ALA A 27 -3.676 -2.528 -10.731 1.00 23.53 H new ATOM 0 HB3 ALA A 27 -4.676 -3.907 -11.246 1.00 23.53 H new ATOM 405 N LEU A 28 -5.696 -4.725 -7.424 1.00 43.40 N ATOM 406 CA LEU A 28 -6.821 -5.456 -6.855 1.00 24.35 C ATOM 407 C LEU A 28 -6.914 -5.179 -5.355 1.00 22.01 C ATOM 408 O LEU A 28 -6.326 -5.891 -4.542 1.00 72.12 O ATOM 409 CB LEU A 28 -6.737 -6.980 -7.120 1.00 4.40 C ATOM 410 CG LEU A 28 -5.507 -7.717 -6.569 1.00 23.03 C ATOM 411 CD1 LEU A 28 -5.809 -9.198 -6.415 1.00 31.14 C ATOM 412 CD2 LEU A 28 -4.302 -7.532 -7.478 1.00 50.02 C ATOM 0 H LEU A 28 -5.114 -4.255 -6.730 1.00 43.40 H new ATOM 0 HA LEU A 28 -7.724 -5.101 -7.351 1.00 24.35 H new ATOM 0 HB2 LEU A 28 -7.628 -7.447 -6.700 1.00 4.40 H new ATOM 0 HB3 LEU A 28 -6.772 -7.139 -8.198 1.00 4.40 H new ATOM 0 HG LEU A 28 -5.271 -7.291 -5.594 1.00 23.03 H new ATOM 0 HD11 LEU A 28 -4.930 -9.710 -6.024 1.00 31.14 H new ATOM 0 HD12 LEU A 28 -6.642 -9.330 -5.725 1.00 31.14 H new ATOM 0 HD13 LEU A 28 -6.072 -9.619 -7.386 1.00 31.14 H new ATOM 0 HD21 LEU A 28 -3.447 -8.065 -7.062 1.00 50.02 H new ATOM 0 HD22 LEU A 28 -4.529 -7.927 -8.468 1.00 50.02 H new ATOM 0 HD23 LEU A 28 -4.065 -6.471 -7.556 1.00 50.02 H new ATOM 424 N PRO A 29 -7.605 -4.094 -4.974 1.00 62.11 N ATOM 425 CA PRO A 29 -7.801 -3.735 -3.570 1.00 24.23 C ATOM 426 C PRO A 29 -8.816 -4.665 -2.908 1.00 12.52 C ATOM 427 O PRO A 29 -9.951 -4.281 -2.618 1.00 42.25 O ATOM 428 CB PRO A 29 -8.321 -2.288 -3.621 1.00 14.23 C ATOM 429 CG PRO A 29 -8.246 -1.872 -5.057 1.00 45.24 C ATOM 430 CD PRO A 29 -8.260 -3.135 -5.867 1.00 34.34 C ATOM 0 HA PRO A 29 -6.888 -3.826 -2.981 1.00 24.23 H new ATOM 0 HB2 PRO A 29 -9.344 -2.228 -3.251 1.00 14.23 H new ATOM 0 HB3 PRO A 29 -7.716 -1.634 -2.993 1.00 14.23 H new ATOM 0 HG2 PRO A 29 -9.089 -1.233 -5.320 1.00 45.24 H new ATOM 0 HG3 PRO A 29 -7.339 -1.299 -5.248 1.00 45.24 H new ATOM 0 HD2 PRO A 29 -9.274 -3.444 -6.119 1.00 34.34 H new ATOM 0 HD3 PRO A 29 -7.719 -3.020 -6.806 1.00 34.34 H new ATOM 438 N GLN A 30 -8.393 -5.900 -2.697 1.00 64.24 N ATOM 439 CA GLN A 30 -9.261 -6.948 -2.191 1.00 33.55 C ATOM 440 C GLN A 30 -9.201 -7.023 -0.668 1.00 45.44 C ATOM 441 O GLN A 30 -8.138 -6.858 -0.065 1.00 13.00 O ATOM 442 CB GLN A 30 -8.847 -8.287 -2.808 1.00 23.44 C ATOM 443 CG GLN A 30 -9.740 -9.454 -2.428 1.00 22.21 C ATOM 444 CD GLN A 30 -9.222 -10.768 -2.972 1.00 62.13 C ATOM 445 OE1 GLN A 30 -9.575 -11.184 -4.074 1.00 52.14 O ATOM 446 NE2 GLN A 30 -8.382 -11.428 -2.199 1.00 30.14 N ATOM 0 H GLN A 30 -7.435 -6.204 -2.872 1.00 64.24 H new ATOM 0 HA GLN A 30 -10.289 -6.719 -2.470 1.00 33.55 H new ATOM 0 HB2 GLN A 30 -8.842 -8.187 -3.893 1.00 23.44 H new ATOM 0 HB3 GLN A 30 -7.825 -8.513 -2.504 1.00 23.44 H new ATOM 0 HG2 GLN A 30 -9.813 -9.515 -1.342 1.00 22.21 H new ATOM 0 HG3 GLN A 30 -10.747 -9.277 -2.806 1.00 22.21 H new ATOM 0 HE21 GLN A 30 -8.116 -11.046 -1.292 1.00 30.14 H new ATOM 0 HE22 GLN A 30 -7.998 -12.321 -2.509 1.00 30.14 H new ATOM 455 N GLY A 31 -10.350 -7.259 -0.053 1.00 61.02 N ATOM 456 CA GLY A 31 -10.406 -7.372 1.384 1.00 75.44 C ATOM 457 C GLY A 31 -10.936 -6.114 2.034 1.00 1.04 C ATOM 458 O GLY A 31 -11.216 -5.125 1.354 1.00 43.22 O ATOM 0 H GLY A 31 -11.245 -7.374 -0.528 1.00 61.02 H new ATOM 0 HA2 GLY A 31 -11.041 -8.215 1.656 1.00 75.44 H new ATOM 0 HA3 GLY A 31 -9.409 -7.586 1.769 1.00 75.44 H new ATOM 462 N GLN A 32 -11.071 -6.152 3.346 1.00 12.05 N ATOM 463 CA GLN A 32 -11.564 -5.012 4.104 1.00 54.01 C ATOM 464 C GLN A 32 -10.397 -4.135 4.548 1.00 21.04 C ATOM 465 O GLN A 32 -10.265 -3.798 5.728 1.00 64.32 O ATOM 466 CB GLN A 32 -12.359 -5.512 5.311 1.00 71.50 C ATOM 467 CG GLN A 32 -13.572 -6.340 4.920 1.00 34.11 C ATOM 468 CD GLN A 32 -14.104 -7.186 6.061 1.00 31.45 C ATOM 469 OE1 GLN A 32 -14.957 -6.746 6.832 1.00 72.12 O ATOM 470 NE2 GLN A 32 -13.611 -8.410 6.166 1.00 31.21 N ATOM 0 H GLN A 32 -10.844 -6.967 3.916 1.00 12.05 H new ATOM 0 HA GLN A 32 -12.220 -4.410 3.475 1.00 54.01 H new ATOM 0 HB2 GLN A 32 -11.706 -6.111 5.946 1.00 71.50 H new ATOM 0 HB3 GLN A 32 -12.685 -4.657 5.904 1.00 71.50 H new ATOM 0 HG2 GLN A 32 -14.361 -5.675 4.569 1.00 34.11 H new ATOM 0 HG3 GLN A 32 -13.308 -6.990 4.085 1.00 34.11 H new ATOM 0 HE21 GLN A 32 -12.905 -8.734 5.505 1.00 31.21 H new ATOM 0 HE22 GLN A 32 -13.937 -9.029 6.908 1.00 31.21 H new ATOM 479 N LYS A 33 -9.551 -3.787 3.585 1.00 22.04 N ATOM 480 CA LYS A 33 -8.357 -2.984 3.824 1.00 13.14 C ATOM 481 C LYS A 33 -7.681 -2.676 2.493 1.00 4.54 C ATOM 482 O LYS A 33 -8.339 -2.684 1.454 1.00 2.31 O ATOM 483 CB LYS A 33 -7.384 -3.718 4.760 1.00 33.21 C ATOM 484 CG LYS A 33 -7.072 -5.147 4.340 1.00 23.30 C ATOM 485 CD LYS A 33 -6.094 -5.800 5.304 1.00 11.12 C ATOM 486 CE LYS A 33 -5.962 -7.293 5.052 1.00 25.44 C ATOM 487 NZ LYS A 33 -5.017 -7.932 6.002 1.00 42.14 N ATOM 0 H LYS A 33 -9.675 -4.056 2.609 1.00 22.04 H new ATOM 0 HA LYS A 33 -8.648 -2.051 4.307 1.00 13.14 H new ATOM 0 HB2 LYS A 33 -6.452 -3.155 4.811 1.00 33.21 H new ATOM 0 HB3 LYS A 33 -7.805 -3.730 5.766 1.00 33.21 H new ATOM 0 HG2 LYS A 33 -7.994 -5.728 4.303 1.00 23.30 H new ATOM 0 HG3 LYS A 33 -6.653 -5.150 3.334 1.00 23.30 H new ATOM 0 HD2 LYS A 33 -5.117 -5.327 5.206 1.00 11.12 H new ATOM 0 HD3 LYS A 33 -6.427 -5.633 6.328 1.00 11.12 H new ATOM 0 HE2 LYS A 33 -6.941 -7.764 5.141 1.00 25.44 H new ATOM 0 HE3 LYS A 33 -5.619 -7.460 4.031 1.00 25.44 H new ATOM 0 HZ1 LYS A 33 -5.080 -8.966 5.912 1.00 42.14 H new ATOM 0 HZ2 LYS A 33 -4.047 -7.624 5.787 1.00 42.14 H new ATOM 0 HZ3 LYS A 33 -5.261 -7.654 6.974 1.00 42.14 H new ATOM 501 N VAL A 34 -6.375 -2.392 2.537 1.00 11.20 N ATOM 502 CA VAL A 34 -5.564 -2.138 1.336 1.00 23.31 C ATOM 503 C VAL A 34 -5.821 -0.741 0.750 1.00 41.04 C ATOM 504 O VAL A 34 -4.934 -0.154 0.129 1.00 61.44 O ATOM 505 CB VAL A 34 -5.786 -3.222 0.247 1.00 4.35 C ATOM 506 CG1 VAL A 34 -4.956 -2.931 -0.999 1.00 65.14 C ATOM 507 CG2 VAL A 34 -5.449 -4.605 0.792 1.00 52.53 C ATOM 0 H VAL A 34 -5.847 -2.331 3.408 1.00 11.20 H new ATOM 0 HA VAL A 34 -4.524 -2.184 1.658 1.00 23.31 H new ATOM 0 HB VAL A 34 -6.839 -3.201 -0.034 1.00 4.35 H new ATOM 0 HG11 VAL A 34 -5.133 -3.707 -1.743 1.00 65.14 H new ATOM 0 HG12 VAL A 34 -5.243 -1.963 -1.409 1.00 65.14 H new ATOM 0 HG13 VAL A 34 -3.898 -2.915 -0.736 1.00 65.14 H new ATOM 0 HG21 VAL A 34 -5.611 -5.352 0.015 1.00 52.53 H new ATOM 0 HG22 VAL A 34 -4.405 -4.628 1.106 1.00 52.53 H new ATOM 0 HG23 VAL A 34 -6.090 -4.826 1.646 1.00 52.53 H new ATOM 517 N GLN A 35 -7.023 -0.213 0.963 1.00 75.40 N ATOM 518 CA GLN A 35 -7.382 1.112 0.469 1.00 2.23 C ATOM 519 C GLN A 35 -6.453 2.179 1.046 1.00 24.55 C ATOM 520 O GLN A 35 -5.675 2.790 0.318 1.00 34.14 O ATOM 521 CB GLN A 35 -8.837 1.436 0.817 1.00 13.44 C ATOM 522 CG GLN A 35 -9.840 0.451 0.233 1.00 5.10 C ATOM 523 CD GLN A 35 -11.277 0.829 0.533 1.00 60.11 C ATOM 524 OE1 GLN A 35 -11.616 2.007 0.655 1.00 4.21 O ATOM 525 NE2 GLN A 35 -12.134 -0.171 0.659 1.00 24.54 N ATOM 0 H GLN A 35 -7.767 -0.685 1.477 1.00 75.40 H new ATOM 0 HA GLN A 35 -7.271 1.110 -0.615 1.00 2.23 H new ATOM 0 HB2 GLN A 35 -8.947 1.453 1.901 1.00 13.44 H new ATOM 0 HB3 GLN A 35 -9.073 2.437 0.457 1.00 13.44 H new ATOM 0 HG2 GLN A 35 -9.701 0.396 -0.847 1.00 5.10 H new ATOM 0 HG3 GLN A 35 -9.640 -0.544 0.632 1.00 5.10 H new ATOM 0 HE21 GLN A 35 -11.814 -1.133 0.551 1.00 24.54 H new ATOM 0 HE22 GLN A 35 -13.115 0.021 0.864 1.00 24.54 H new ATOM 534 N VAL A 36 -6.538 2.395 2.356 1.00 72.50 N ATOM 535 CA VAL A 36 -5.674 3.350 3.032 1.00 71.34 C ATOM 536 C VAL A 36 -5.890 3.296 4.544 1.00 24.52 C ATOM 537 O VAL A 36 -7.017 3.390 5.029 1.00 22.50 O ATOM 538 CB VAL A 36 -5.891 4.797 2.512 1.00 13.24 C ATOM 539 CG1 VAL A 36 -7.331 5.256 2.706 1.00 44.53 C ATOM 540 CG2 VAL A 36 -4.926 5.762 3.183 1.00 10.44 C ATOM 0 H VAL A 36 -7.199 1.919 2.969 1.00 72.50 H new ATOM 0 HA VAL A 36 -4.645 3.068 2.809 1.00 71.34 H new ATOM 0 HB VAL A 36 -5.689 4.792 1.441 1.00 13.24 H new ATOM 0 HG11 VAL A 36 -7.443 6.273 2.330 1.00 44.53 H new ATOM 0 HG12 VAL A 36 -8.001 4.592 2.160 1.00 44.53 H new ATOM 0 HG13 VAL A 36 -7.581 5.232 3.767 1.00 44.53 H new ATOM 0 HG21 VAL A 36 -5.096 6.769 2.803 1.00 10.44 H new ATOM 0 HG22 VAL A 36 -5.088 5.748 4.261 1.00 10.44 H new ATOM 0 HG23 VAL A 36 -3.901 5.461 2.966 1.00 10.44 H new ATOM 550 N ILE A 37 -4.808 3.093 5.284 1.00 24.02 N ATOM 551 CA ILE A 37 -4.864 3.094 6.740 1.00 51.23 C ATOM 552 C ILE A 37 -4.080 4.280 7.293 1.00 41.10 C ATOM 553 O ILE A 37 -4.599 5.082 8.068 1.00 43.03 O ATOM 554 CB ILE A 37 -4.311 1.778 7.334 1.00 3.44 C ATOM 555 CG1 ILE A 37 -5.059 0.577 6.748 1.00 14.04 C ATOM 556 CG2 ILE A 37 -4.425 1.784 8.853 1.00 23.41 C ATOM 557 CD1 ILE A 37 -4.158 -0.581 6.375 1.00 73.55 C ATOM 0 H ILE A 37 -3.879 2.925 4.899 1.00 24.02 H new ATOM 0 HA ILE A 37 -5.911 3.180 7.031 1.00 51.23 H new ATOM 0 HB ILE A 37 -3.257 1.697 7.070 1.00 3.44 H new ATOM 0 HG12 ILE A 37 -5.797 0.232 7.472 1.00 14.04 H new ATOM 0 HG13 ILE A 37 -5.607 0.899 5.862 1.00 14.04 H new ATOM 0 HG21 ILE A 37 -4.030 0.849 9.251 1.00 23.41 H new ATOM 0 HG22 ILE A 37 -3.855 2.620 9.257 1.00 23.41 H new ATOM 0 HG23 ILE A 37 -5.472 1.887 9.139 1.00 23.41 H new ATOM 0 HD11 ILE A 37 -4.760 -1.393 5.967 1.00 73.55 H new ATOM 0 HD12 ILE A 37 -3.436 -0.254 5.627 1.00 73.55 H new ATOM 0 HD13 ILE A 37 -3.629 -0.931 7.262 1.00 73.55 H new ATOM 569 N SER A 38 -2.829 4.382 6.881 1.00 62.05 N ATOM 570 CA SER A 38 -1.978 5.495 7.267 1.00 25.23 C ATOM 571 C SER A 38 -1.088 5.873 6.092 1.00 23.33 C ATOM 572 O SER A 38 -1.070 5.173 5.082 1.00 24.30 O ATOM 573 CB SER A 38 -1.139 5.126 8.497 1.00 73.35 C ATOM 574 OG SER A 38 -0.387 6.236 8.963 1.00 43.02 O ATOM 0 H SER A 38 -2.376 3.700 6.273 1.00 62.05 H new ATOM 0 HA SER A 38 -2.596 6.352 7.534 1.00 25.23 H new ATOM 0 HB2 SER A 38 -1.794 4.769 9.292 1.00 73.35 H new ATOM 0 HB3 SER A 38 -0.465 4.307 8.247 1.00 73.35 H new ATOM 0 HG SER A 38 0.136 5.970 9.748 1.00 43.02 H new ATOM 580 N GLU A 39 -0.367 6.975 6.214 1.00 62.50 N ATOM 581 CA GLU A 39 0.469 7.472 5.129 1.00 40.33 C ATOM 582 C GLU A 39 1.806 7.949 5.677 1.00 11.50 C ATOM 583 O GLU A 39 1.880 8.398 6.818 1.00 40.33 O ATOM 584 CB GLU A 39 -0.232 8.626 4.416 1.00 35.44 C ATOM 585 CG GLU A 39 -1.567 8.252 3.798 1.00 11.42 C ATOM 586 CD GLU A 39 -2.281 9.446 3.206 1.00 23.20 C ATOM 587 OE1 GLU A 39 -1.915 9.865 2.090 1.00 2.44 O ATOM 588 OE2 GLU A 39 -3.195 9.981 3.867 1.00 54.50 O ATOM 0 H GLU A 39 -0.343 7.547 7.058 1.00 62.50 H new ATOM 0 HA GLU A 39 0.640 6.662 4.420 1.00 40.33 H new ATOM 0 HB2 GLU A 39 -0.387 9.438 5.127 1.00 35.44 H new ATOM 0 HB3 GLU A 39 0.424 9.008 3.634 1.00 35.44 H new ATOM 0 HG2 GLU A 39 -1.408 7.505 3.021 1.00 11.42 H new ATOM 0 HG3 GLU A 39 -2.200 7.793 4.557 1.00 11.42 H new ATOM 595 N ASN A 40 2.860 7.846 4.875 1.00 61.42 N ATOM 596 CA ASN A 40 4.175 8.315 5.294 1.00 65.43 C ATOM 597 C ASN A 40 5.116 8.487 4.105 1.00 63.03 C ATOM 598 O ASN A 40 5.421 7.526 3.397 1.00 52.23 O ATOM 599 CB ASN A 40 4.810 7.356 6.306 1.00 23.13 C ATOM 600 CG ASN A 40 6.142 7.875 6.818 1.00 35.22 C ATOM 601 OD1 ASN A 40 6.346 9.082 6.935 1.00 24.42 O ATOM 602 ND2 ASN A 40 7.061 6.971 7.122 1.00 52.43 N ATOM 0 H ASN A 40 2.830 7.445 3.938 1.00 61.42 H new ATOM 0 HA ASN A 40 4.025 9.286 5.766 1.00 65.43 H new ATOM 0 HB2 ASN A 40 4.130 7.211 7.145 1.00 23.13 H new ATOM 0 HB3 ASN A 40 4.955 6.381 5.841 1.00 23.13 H new ATOM 0 HD21 ASN A 40 7.974 7.268 7.466 1.00 52.43 H new ATOM 0 HD22 ASN A 40 6.856 5.978 7.012 1.00 52.43 H new ATOM 609 N SER A 41 5.550 9.727 3.890 1.00 21.14 N ATOM 610 CA SER A 41 6.611 10.041 2.936 1.00 34.44 C ATOM 611 C SER A 41 6.222 9.696 1.492 1.00 30.42 C ATOM 612 O SER A 41 7.078 9.332 0.677 1.00 63.30 O ATOM 613 CB SER A 41 7.889 9.300 3.341 1.00 75.43 C ATOM 614 OG SER A 41 9.019 9.785 2.634 1.00 4.52 O ATOM 0 H SER A 41 5.175 10.543 4.373 1.00 21.14 H new ATOM 0 HA SER A 41 6.780 11.117 2.963 1.00 34.44 H new ATOM 0 HB2 SER A 41 8.053 9.414 4.413 1.00 75.43 H new ATOM 0 HB3 SER A 41 7.769 8.234 3.149 1.00 75.43 H new ATOM 0 HG SER A 41 8.824 9.795 1.674 1.00 4.52 H new ATOM 620 N GLY A 42 4.944 9.831 1.167 1.00 2.10 N ATOM 621 CA GLY A 42 4.502 9.626 -0.201 1.00 73.23 C ATOM 622 C GLY A 42 3.746 8.328 -0.389 1.00 31.14 C ATOM 623 O GLY A 42 2.838 8.242 -1.221 1.00 31.25 O ATOM 0 H GLY A 42 4.204 10.079 1.824 1.00 2.10 H new ATOM 0 HA2 GLY A 42 3.865 10.458 -0.500 1.00 73.23 H new ATOM 0 HA3 GLY A 42 5.368 9.635 -0.862 1.00 73.23 H new ATOM 627 N TRP A 43 4.124 7.314 0.372 1.00 51.40 N ATOM 628 CA TRP A 43 3.455 6.024 0.307 1.00 33.01 C ATOM 629 C TRP A 43 2.508 5.861 1.485 1.00 74.04 C ATOM 630 O TRP A 43 2.686 6.483 2.532 1.00 43.02 O ATOM 631 CB TRP A 43 4.469 4.876 0.293 1.00 32.42 C ATOM 632 CG TRP A 43 5.162 4.684 -1.024 1.00 3.34 C ATOM 633 CD1 TRP A 43 4.947 5.377 -2.183 1.00 15.12 C ATOM 634 CD2 TRP A 43 6.172 3.715 -1.321 1.00 74.33 C ATOM 635 NE1 TRP A 43 5.775 4.908 -3.174 1.00 22.33 N ATOM 636 CE2 TRP A 43 6.534 3.884 -2.670 1.00 64.31 C ATOM 637 CE3 TRP A 43 6.808 2.720 -0.575 1.00 74.43 C ATOM 638 CZ2 TRP A 43 7.506 3.098 -3.286 1.00 52.40 C ATOM 639 CZ3 TRP A 43 7.772 1.939 -1.186 1.00 51.54 C ATOM 640 CH2 TRP A 43 8.112 2.132 -2.531 1.00 13.34 C ATOM 0 H TRP A 43 4.891 7.359 1.043 1.00 51.40 H new ATOM 0 HA TRP A 43 2.884 5.989 -0.621 1.00 33.01 H new ATOM 0 HB2 TRP A 43 5.219 5.059 1.062 1.00 32.42 H new ATOM 0 HB3 TRP A 43 3.958 3.951 0.560 1.00 32.42 H new ATOM 0 HD1 TRP A 43 4.231 6.176 -2.302 1.00 15.12 H new ATOM 0 HE1 TRP A 43 5.818 5.264 -4.129 1.00 22.33 H new ATOM 0 HE3 TRP A 43 6.551 2.563 0.462 1.00 74.43 H new ATOM 0 HZ2 TRP A 43 7.771 3.246 -4.322 1.00 52.40 H new ATOM 0 HZ3 TRP A 43 8.271 1.168 -0.617 1.00 51.54 H new ATOM 0 HH2 TRP A 43 8.868 1.505 -2.981 1.00 13.34 H new ATOM 651 N SER A 44 1.500 5.030 1.309 1.00 64.45 N ATOM 652 CA SER A 44 0.546 4.769 2.366 1.00 42.54 C ATOM 653 C SER A 44 0.774 3.388 2.968 1.00 60.21 C ATOM 654 O SER A 44 1.128 2.440 2.264 1.00 51.43 O ATOM 655 CB SER A 44 -0.879 4.903 1.837 1.00 51.01 C ATOM 656 OG SER A 44 -1.077 6.178 1.242 1.00 32.34 O ATOM 0 H SER A 44 1.321 4.524 0.442 1.00 64.45 H new ATOM 0 HA SER A 44 0.691 5.507 3.155 1.00 42.54 H new ATOM 0 HB2 SER A 44 -1.075 4.120 1.104 1.00 51.01 H new ATOM 0 HB3 SER A 44 -1.589 4.762 2.652 1.00 51.01 H new ATOM 0 HG SER A 44 -2.022 6.429 1.313 1.00 32.34 H new ATOM 662 N LYS A 45 0.578 3.296 4.273 1.00 14.23 N ATOM 663 CA LYS A 45 0.804 2.080 5.022 1.00 63.42 C ATOM 664 C LYS A 45 -0.406 1.160 4.917 1.00 52.21 C ATOM 665 O LYS A 45 -1.501 1.525 5.352 1.00 40.40 O ATOM 666 CB LYS A 45 1.033 2.447 6.485 1.00 73.01 C ATOM 667 CG LYS A 45 2.446 2.898 6.805 1.00 3.02 C ATOM 668 CD LYS A 45 3.429 1.740 6.846 1.00 4.43 C ATOM 669 CE LYS A 45 3.087 0.749 7.949 1.00 70.54 C ATOM 670 NZ LYS A 45 4.261 -0.073 8.335 1.00 1.14 N ATOM 0 H LYS A 45 0.253 4.076 4.845 1.00 14.23 H new ATOM 0 HA LYS A 45 1.673 1.561 4.618 1.00 63.42 H new ATOM 0 HB2 LYS A 45 0.340 3.242 6.760 1.00 73.01 H new ATOM 0 HB3 LYS A 45 0.791 1.584 7.105 1.00 73.01 H new ATOM 0 HG2 LYS A 45 2.772 3.621 6.057 1.00 3.02 H new ATOM 0 HG3 LYS A 45 2.452 3.410 7.767 1.00 3.02 H new ATOM 0 HD2 LYS A 45 3.428 1.228 5.884 1.00 4.43 H new ATOM 0 HD3 LYS A 45 4.437 2.124 7.002 1.00 4.43 H new ATOM 0 HE2 LYS A 45 2.719 1.289 8.821 1.00 70.54 H new ATOM 0 HE3 LYS A 45 2.281 0.096 7.614 1.00 70.54 H new ATOM 0 HZ1 LYS A 45 3.988 -0.736 9.089 1.00 1.14 H new ATOM 0 HZ2 LYS A 45 4.597 -0.608 7.509 1.00 1.14 H new ATOM 0 HZ3 LYS A 45 5.022 0.548 8.678 1.00 1.14 H new ATOM 684 N ILE A 46 -0.213 -0.019 4.338 1.00 23.15 N ATOM 685 CA ILE A 46 -1.291 -0.994 4.219 1.00 63.13 C ATOM 686 C ILE A 46 -0.793 -2.397 4.536 1.00 1.54 C ATOM 687 O ILE A 46 0.408 -2.621 4.705 1.00 22.21 O ATOM 688 CB ILE A 46 -1.917 -1.026 2.804 1.00 2.44 C ATOM 689 CG1 ILE A 46 -0.865 -1.405 1.761 1.00 3.14 C ATOM 690 CG2 ILE A 46 -2.556 0.314 2.463 1.00 54.53 C ATOM 691 CD1 ILE A 46 -1.450 -1.833 0.433 1.00 73.34 C ATOM 0 H ILE A 46 0.678 -0.323 3.944 1.00 23.15 H new ATOM 0 HA ILE A 46 -2.050 -0.680 4.935 1.00 63.13 H new ATOM 0 HB ILE A 46 -2.700 -1.785 2.794 1.00 2.44 H new ATOM 0 HG12 ILE A 46 -0.204 -0.554 1.599 1.00 3.14 H new ATOM 0 HG13 ILE A 46 -0.251 -2.215 2.155 1.00 3.14 H new ATOM 0 HG21 ILE A 46 -2.989 0.267 1.464 1.00 54.53 H new ATOM 0 HG22 ILE A 46 -3.339 0.539 3.188 1.00 54.53 H new ATOM 0 HG23 ILE A 46 -1.798 1.097 2.493 1.00 54.53 H new ATOM 0 HD11 ILE A 46 -0.644 -2.086 -0.255 1.00 73.34 H new ATOM 0 HD12 ILE A 46 -2.088 -2.704 0.580 1.00 73.34 H new ATOM 0 HD13 ILE A 46 -2.040 -1.017 0.016 1.00 73.34 H new ATOM 703 N ASN A 47 -1.723 -3.333 4.626 1.00 45.25 N ATOM 704 CA ASN A 47 -1.388 -4.744 4.743 1.00 34.10 C ATOM 705 C ASN A 47 -1.879 -5.475 3.505 1.00 22.03 C ATOM 706 O ASN A 47 -3.083 -5.551 3.260 1.00 72.34 O ATOM 707 CB ASN A 47 -2.015 -5.357 5.998 1.00 53.25 C ATOM 708 CG ASN A 47 -1.669 -6.827 6.162 1.00 40.31 C ATOM 709 OD1 ASN A 47 -2.359 -7.704 5.641 1.00 20.53 O ATOM 710 ND2 ASN A 47 -0.606 -7.108 6.896 1.00 41.44 N ATOM 0 H ASN A 47 -2.724 -3.139 4.620 1.00 45.25 H new ATOM 0 HA ASN A 47 -0.306 -4.843 4.828 1.00 34.10 H new ATOM 0 HB2 ASN A 47 -1.675 -4.807 6.876 1.00 53.25 H new ATOM 0 HB3 ASN A 47 -3.098 -5.245 5.951 1.00 53.25 H new ATOM 0 HD21 ASN A 47 -0.333 -8.079 7.047 1.00 41.44 H new ATOM 0 HD22 ASN A 47 -0.059 -6.354 7.311 1.00 41.44 H new ATOM 717 N TYR A 48 -0.951 -5.999 2.724 1.00 63.05 N ATOM 718 CA TYR A 48 -1.291 -6.632 1.464 1.00 54.35 C ATOM 719 C TYR A 48 -1.055 -8.131 1.545 1.00 42.14 C ATOM 720 O TYR A 48 0.084 -8.578 1.687 1.00 64.45 O ATOM 721 CB TYR A 48 -0.456 -6.041 0.326 1.00 60.12 C ATOM 722 CG TYR A 48 -1.103 -6.180 -1.042 1.00 60.24 C ATOM 723 CD1 TYR A 48 -1.087 -7.389 -1.730 1.00 42.33 C ATOM 724 CD2 TYR A 48 -1.743 -5.101 -1.638 1.00 41.31 C ATOM 725 CE1 TYR A 48 -1.683 -7.514 -2.970 1.00 13.42 C ATOM 726 CE2 TYR A 48 -2.343 -5.219 -2.876 1.00 13.00 C ATOM 727 CZ TYR A 48 -2.312 -6.427 -3.536 1.00 30.34 C ATOM 728 OH TYR A 48 -2.903 -6.547 -4.772 1.00 55.22 O ATOM 0 H TYR A 48 0.046 -5.998 2.942 1.00 63.05 H new ATOM 0 HA TYR A 48 -2.346 -6.447 1.263 1.00 54.35 H new ATOM 0 HB2 TYR A 48 -0.278 -4.985 0.528 1.00 60.12 H new ATOM 0 HB3 TYR A 48 0.518 -6.531 0.309 1.00 60.12 H new ATOM 0 HD1 TYR A 48 -0.600 -8.245 -1.287 1.00 42.33 H new ATOM 0 HD2 TYR A 48 -1.772 -4.152 -1.123 1.00 41.31 H new ATOM 0 HE1 TYR A 48 -1.656 -8.459 -3.493 1.00 13.42 H new ATOM 0 HE2 TYR A 48 -2.834 -4.368 -3.324 1.00 13.00 H new ATOM 0 HH TYR A 48 -3.303 -5.690 -5.028 1.00 55.22 H new ATOM 738 N ASN A 49 -2.138 -8.894 1.483 1.00 53.33 N ATOM 739 CA ASN A 49 -2.071 -10.355 1.435 1.00 53.24 C ATOM 740 C ASN A 49 -1.305 -10.912 2.639 1.00 23.51 C ATOM 741 O ASN A 49 -0.587 -11.907 2.535 1.00 72.11 O ATOM 742 CB ASN A 49 -1.421 -10.806 0.117 1.00 35.50 C ATOM 743 CG ASN A 49 -1.624 -12.287 -0.166 1.00 43.13 C ATOM 744 OD1 ASN A 49 -2.625 -12.878 0.241 1.00 21.34 O ATOM 745 ND2 ASN A 49 -0.686 -12.892 -0.878 1.00 74.30 N ATOM 0 H ASN A 49 -3.088 -8.522 1.464 1.00 53.33 H new ATOM 0 HA ASN A 49 -3.086 -10.750 1.480 1.00 53.24 H new ATOM 0 HB2 ASN A 49 -1.837 -10.224 -0.705 1.00 35.50 H new ATOM 0 HB3 ASN A 49 -0.353 -10.591 0.152 1.00 35.50 H new ATOM 0 HD21 ASN A 49 -0.778 -13.882 -1.107 1.00 74.30 H new ATOM 0 HD22 ASN A 49 0.129 -12.368 -1.197 1.00 74.30 H new ATOM 752 N GLY A 50 -1.456 -10.257 3.783 1.00 32.14 N ATOM 753 CA GLY A 50 -0.897 -10.784 5.012 1.00 3.20 C ATOM 754 C GLY A 50 0.486 -10.249 5.342 1.00 34.15 C ATOM 755 O GLY A 50 1.093 -10.674 6.324 1.00 63.43 O ATOM 0 H GLY A 50 -1.954 -9.372 3.881 1.00 32.14 H new ATOM 0 HA2 GLY A 50 -1.572 -10.550 5.835 1.00 3.20 H new ATOM 0 HA3 GLY A 50 -0.847 -11.870 4.940 1.00 3.20 H new ATOM 759 N GLN A 51 0.999 -9.330 4.532 1.00 32.55 N ATOM 760 CA GLN A 51 2.284 -8.714 4.826 1.00 54.43 C ATOM 761 C GLN A 51 2.194 -7.199 4.717 1.00 54.34 C ATOM 762 O GLN A 51 1.210 -6.661 4.206 1.00 34.21 O ATOM 763 CB GLN A 51 3.373 -9.244 3.893 1.00 14.53 C ATOM 764 CG GLN A 51 3.198 -8.859 2.435 1.00 5.43 C ATOM 765 CD GLN A 51 4.388 -9.277 1.593 1.00 31.21 C ATOM 766 OE1 GLN A 51 5.339 -8.514 1.420 1.00 41.51 O ATOM 767 NE2 GLN A 51 4.350 -10.492 1.070 1.00 61.12 N ATOM 0 H GLN A 51 0.551 -8.999 3.678 1.00 32.55 H new ATOM 0 HA GLN A 51 2.550 -8.975 5.850 1.00 54.43 H new ATOM 0 HB2 GLN A 51 4.339 -8.877 4.239 1.00 14.53 H new ATOM 0 HB3 GLN A 51 3.400 -10.331 3.968 1.00 14.53 H new ATOM 0 HG2 GLN A 51 2.294 -9.325 2.043 1.00 5.43 H new ATOM 0 HG3 GLN A 51 3.060 -7.780 2.358 1.00 5.43 H new ATOM 0 HE21 GLN A 51 3.544 -11.094 1.237 1.00 61.12 H new ATOM 0 HE22 GLN A 51 5.127 -10.826 0.500 1.00 61.12 H new ATOM 776 N THR A 52 3.218 -6.516 5.204 1.00 51.41 N ATOM 777 CA THR A 52 3.260 -5.066 5.160 1.00 63.03 C ATOM 778 C THR A 52 3.449 -4.571 3.728 1.00 1.33 C ATOM 779 O THR A 52 4.445 -4.892 3.073 1.00 30.11 O ATOM 780 CB THR A 52 4.393 -4.530 6.052 1.00 20.25 C ATOM 781 OG1 THR A 52 4.283 -5.109 7.357 1.00 64.13 O ATOM 782 CG2 THR A 52 4.329 -3.013 6.162 1.00 34.41 C ATOM 0 H THR A 52 4.035 -6.947 5.636 1.00 51.41 H new ATOM 0 HA THR A 52 2.308 -4.692 5.535 1.00 63.03 H new ATOM 0 HB THR A 52 5.348 -4.802 5.601 1.00 20.25 H new ATOM 0 HG1 THR A 52 5.005 -4.771 7.927 1.00 64.13 H new ATOM 0 HG21 THR A 52 5.141 -2.660 6.798 1.00 34.41 H new ATOM 0 HG22 THR A 52 4.427 -2.572 5.170 1.00 34.41 H new ATOM 0 HG23 THR A 52 3.374 -2.720 6.597 1.00 34.41 H new ATOM 790 N GLY A 53 2.488 -3.795 3.252 1.00 31.24 N ATOM 791 CA GLY A 53 2.550 -3.284 1.903 1.00 34.34 C ATOM 792 C GLY A 53 2.469 -1.774 1.873 1.00 43.30 C ATOM 793 O GLY A 53 2.168 -1.141 2.889 1.00 70.52 O ATOM 0 H GLY A 53 1.663 -3.510 3.780 1.00 31.24 H new ATOM 0 HA2 GLY A 53 3.479 -3.608 1.433 1.00 34.34 H new ATOM 0 HA3 GLY A 53 1.733 -3.704 1.317 1.00 34.34 H new ATOM 797 N TYR A 54 2.736 -1.196 0.715 1.00 54.03 N ATOM 798 CA TYR A 54 2.714 0.247 0.552 1.00 14.14 C ATOM 799 C TYR A 54 2.065 0.601 -0.775 1.00 24.43 C ATOM 800 O TYR A 54 2.121 -0.187 -1.718 1.00 23.40 O ATOM 801 CB TYR A 54 4.137 0.818 0.613 1.00 10.54 C ATOM 802 CG TYR A 54 4.811 0.608 1.953 1.00 62.42 C ATOM 803 CD1 TYR A 54 4.692 1.552 2.963 1.00 72.32 C ATOM 804 CD2 TYR A 54 5.550 -0.541 2.213 1.00 13.21 C ATOM 805 CE1 TYR A 54 5.281 1.353 4.195 1.00 64.21 C ATOM 806 CE2 TYR A 54 6.147 -0.744 3.442 1.00 24.04 C ATOM 807 CZ TYR A 54 6.008 0.208 4.428 1.00 73.35 C ATOM 808 OH TYR A 54 6.573 0.007 5.665 1.00 61.42 O ATOM 0 H TYR A 54 2.973 -1.710 -0.134 1.00 54.03 H new ATOM 0 HA TYR A 54 2.134 0.684 1.365 1.00 14.14 H new ATOM 0 HB2 TYR A 54 4.741 0.353 -0.166 1.00 10.54 H new ATOM 0 HB3 TYR A 54 4.102 1.885 0.395 1.00 10.54 H new ATOM 0 HD1 TYR A 54 4.130 2.456 2.782 1.00 72.32 H new ATOM 0 HD2 TYR A 54 5.659 -1.288 1.440 1.00 13.21 H new ATOM 0 HE1 TYR A 54 5.172 2.093 4.974 1.00 64.21 H new ATOM 0 HE2 TYR A 54 6.718 -1.642 3.628 1.00 24.04 H new ATOM 0 HH TYR A 54 7.053 -0.848 5.671 1.00 61.42 H new ATOM 818 N ILE A 55 1.431 1.764 -0.840 1.00 72.20 N ATOM 819 CA ILE A 55 0.812 2.220 -2.081 1.00 41.13 C ATOM 820 C ILE A 55 1.232 3.646 -2.398 1.00 12.40 C ATOM 821 O ILE A 55 1.591 4.408 -1.500 1.00 31.24 O ATOM 822 CB ILE A 55 -0.739 2.141 -2.027 1.00 4.52 C ATOM 823 CG1 ILE A 55 -1.323 3.060 -0.953 1.00 42.34 C ATOM 824 CG2 ILE A 55 -1.194 0.719 -1.782 1.00 2.33 C ATOM 825 CD1 ILE A 55 -1.757 4.411 -1.474 1.00 21.22 C ATOM 0 H ILE A 55 1.331 2.407 -0.054 1.00 72.20 H new ATOM 0 HA ILE A 55 1.159 1.551 -2.868 1.00 41.13 H new ATOM 0 HB ILE A 55 -1.108 2.478 -2.996 1.00 4.52 H new ATOM 0 HG12 ILE A 55 -2.179 2.567 -0.493 1.00 42.34 H new ATOM 0 HG13 ILE A 55 -0.580 3.205 -0.169 1.00 42.34 H new ATOM 0 HG21 ILE A 55 -2.283 0.686 -1.748 1.00 2.33 H new ATOM 0 HG22 ILE A 55 -0.837 0.079 -2.589 1.00 2.33 H new ATOM 0 HG23 ILE A 55 -0.790 0.366 -0.833 1.00 2.33 H new ATOM 0 HD11 ILE A 55 -2.160 5.005 -0.654 1.00 21.22 H new ATOM 0 HD12 ILE A 55 -0.900 4.926 -1.908 1.00 21.22 H new ATOM 0 HD13 ILE A 55 -2.524 4.278 -2.236 1.00 21.22 H new ATOM 837 N GLY A 56 1.206 3.993 -3.674 1.00 1.13 N ATOM 838 CA GLY A 56 1.440 5.362 -4.070 1.00 13.41 C ATOM 839 C GLY A 56 0.141 6.132 -4.124 1.00 74.12 C ATOM 840 O GLY A 56 -0.672 5.915 -5.020 1.00 73.32 O ATOM 0 H GLY A 56 1.026 3.348 -4.444 1.00 1.13 H new ATOM 0 HA2 GLY A 56 2.122 5.838 -3.365 1.00 13.41 H new ATOM 0 HA3 GLY A 56 1.923 5.386 -5.047 1.00 13.41 H new ATOM 844 N THR A 57 -0.047 7.038 -3.170 1.00 11.13 N ATOM 845 CA THR A 57 -1.316 7.735 -2.976 1.00 33.25 C ATOM 846 C THR A 57 -1.746 8.536 -4.213 1.00 2.41 C ATOM 847 O THR A 57 -2.901 8.946 -4.322 1.00 60.34 O ATOM 848 CB THR A 57 -1.210 8.679 -1.765 1.00 34.12 C ATOM 849 OG1 THR A 57 -0.416 8.055 -0.745 1.00 54.23 O ATOM 850 CG2 THR A 57 -2.586 9.006 -1.204 1.00 51.21 C ATOM 0 H THR A 57 0.678 7.311 -2.507 1.00 11.13 H new ATOM 0 HA THR A 57 -2.076 6.974 -2.800 1.00 33.25 H new ATOM 0 HB THR A 57 -0.742 9.608 -2.091 1.00 34.12 H new ATOM 0 HG1 THR A 57 -0.980 7.458 -0.211 1.00 54.23 H new ATOM 0 HG21 THR A 57 -2.481 9.674 -0.349 1.00 51.21 H new ATOM 0 HG22 THR A 57 -3.186 9.492 -1.973 1.00 51.21 H new ATOM 0 HG23 THR A 57 -3.078 8.086 -0.887 1.00 51.21 H new ATOM 858 N ARG A 58 -0.821 8.754 -5.142 1.00 73.43 N ATOM 859 CA ARG A 58 -1.112 9.511 -6.348 1.00 21.15 C ATOM 860 C ARG A 58 -1.975 8.703 -7.324 1.00 2.40 C ATOM 861 O ARG A 58 -2.570 9.261 -8.248 1.00 11.11 O ATOM 862 CB ARG A 58 0.193 9.951 -7.010 1.00 31.21 C ATOM 863 CG ARG A 58 1.055 8.806 -7.517 1.00 11.15 C ATOM 864 CD ARG A 58 2.427 9.294 -7.958 1.00 2.00 C ATOM 865 NE ARG A 58 2.351 10.363 -8.955 1.00 5.41 N ATOM 866 CZ ARG A 58 3.375 10.748 -9.721 1.00 55.33 C ATOM 867 NH1 ARG A 58 4.532 10.095 -9.676 1.00 3.41 N ATOM 868 NH2 ARG A 58 3.227 11.773 -10.556 1.00 75.42 N ATOM 0 H ARG A 58 0.139 8.415 -5.080 1.00 73.43 H new ATOM 0 HA ARG A 58 -1.684 10.396 -6.069 1.00 21.15 H new ATOM 0 HB2 ARG A 58 -0.042 10.611 -7.845 1.00 31.21 H new ATOM 0 HB3 ARG A 58 0.771 10.536 -6.294 1.00 31.21 H new ATOM 0 HG2 ARG A 58 1.169 8.059 -6.731 1.00 11.15 H new ATOM 0 HG3 ARG A 58 0.556 8.316 -8.353 1.00 11.15 H new ATOM 0 HD2 ARG A 58 2.978 9.652 -7.088 1.00 2.00 H new ATOM 0 HD3 ARG A 58 2.991 8.457 -8.370 1.00 2.00 H new ATOM 0 HE ARG A 58 1.459 10.844 -9.072 1.00 5.41 H new ATOM 0 HH11 ARG A 58 4.642 9.294 -9.054 1.00 3.41 H new ATOM 0 HH12 ARG A 58 5.310 10.395 -10.264 1.00 3.41 H new ATOM 0 HH21 ARG A 58 2.334 12.262 -10.610 1.00 75.42 H new ATOM 0 HH22 ARG A 58 4.007 12.070 -11.142 1.00 75.42 H new ATOM 882 N TYR A 59 -2.042 7.394 -7.122 1.00 52.44 N ATOM 883 CA TYR A 59 -2.891 6.540 -7.940 1.00 54.23 C ATOM 884 C TYR A 59 -3.627 5.535 -7.067 1.00 34.22 C ATOM 885 O TYR A 59 -3.003 4.703 -6.417 1.00 33.20 O ATOM 886 CB TYR A 59 -2.063 5.799 -8.990 1.00 22.22 C ATOM 887 CG TYR A 59 -2.305 6.269 -10.406 1.00 51.52 C ATOM 888 CD1 TYR A 59 -1.606 7.346 -10.932 1.00 73.33 C ATOM 889 CD2 TYR A 59 -3.233 5.630 -11.217 1.00 34.24 C ATOM 890 CE1 TYR A 59 -1.826 7.777 -12.226 1.00 63.13 C ATOM 891 CE2 TYR A 59 -3.459 6.053 -12.513 1.00 52.35 C ATOM 892 CZ TYR A 59 -2.752 7.127 -13.014 1.00 55.13 C ATOM 893 OH TYR A 59 -2.972 7.554 -14.305 1.00 23.42 O ATOM 0 H TYR A 59 -1.519 6.901 -6.399 1.00 52.44 H new ATOM 0 HA TYR A 59 -3.618 7.173 -8.449 1.00 54.23 H new ATOM 0 HB2 TYR A 59 -1.005 5.918 -8.754 1.00 22.22 H new ATOM 0 HB3 TYR A 59 -2.286 4.734 -8.928 1.00 22.22 H new ATOM 0 HD1 TYR A 59 -0.877 7.856 -10.319 1.00 73.33 H new ATOM 0 HD2 TYR A 59 -3.787 4.788 -10.829 1.00 34.24 H new ATOM 0 HE1 TYR A 59 -1.275 8.619 -12.618 1.00 63.13 H new ATOM 0 HE2 TYR A 59 -4.185 5.546 -13.131 1.00 52.35 H new ATOM 0 HH TYR A 59 -3.654 6.989 -14.725 1.00 23.42 H new ATOM 903 N LEU A 60 -4.952 5.606 -7.080 1.00 43.11 N ATOM 904 CA LEU A 60 -5.782 4.720 -6.272 1.00 45.32 C ATOM 905 C LEU A 60 -7.149 4.539 -6.911 1.00 1.50 C ATOM 906 O LEU A 60 -7.596 5.380 -7.691 1.00 40.21 O ATOM 907 CB LEU A 60 -5.957 5.274 -4.852 1.00 33.52 C ATOM 908 CG LEU A 60 -4.770 5.071 -3.910 1.00 33.11 C ATOM 909 CD1 LEU A 60 -5.024 5.772 -2.584 1.00 74.33 C ATOM 910 CD2 LEU A 60 -4.520 3.585 -3.688 1.00 24.43 C ATOM 0 H LEU A 60 -5.478 6.273 -7.645 1.00 43.11 H new ATOM 0 HA LEU A 60 -5.277 3.755 -6.216 1.00 45.32 H new ATOM 0 HB2 LEU A 60 -6.164 6.342 -4.921 1.00 33.52 H new ATOM 0 HB3 LEU A 60 -6.835 4.808 -4.406 1.00 33.52 H new ATOM 0 HG LEU A 60 -3.882 5.507 -4.367 1.00 33.11 H new ATOM 0 HD11 LEU A 60 -4.171 5.619 -1.923 1.00 74.33 H new ATOM 0 HD12 LEU A 60 -5.163 6.839 -2.757 1.00 74.33 H new ATOM 0 HD13 LEU A 60 -5.921 5.360 -2.121 1.00 74.33 H new ATOM 0 HD21 LEU A 60 -3.672 3.455 -3.015 1.00 24.43 H new ATOM 0 HD22 LEU A 60 -5.406 3.129 -3.247 1.00 24.43 H new ATOM 0 HD23 LEU A 60 -4.302 3.106 -4.643 1.00 24.43 H new ATOM 922 N SER A 61 -7.798 3.434 -6.586 1.00 35.22 N ATOM 923 CA SER A 61 -9.155 3.179 -7.025 1.00 11.21 C ATOM 924 C SER A 61 -9.821 2.217 -6.055 1.00 4.43 C ATOM 925 O SER A 61 -9.320 1.120 -5.816 1.00 12.10 O ATOM 926 CB SER A 61 -9.170 2.602 -8.443 1.00 72.24 C ATOM 927 OG SER A 61 -10.495 2.466 -8.933 1.00 64.15 O ATOM 0 H SER A 61 -7.399 2.692 -6.012 1.00 35.22 H new ATOM 0 HA SER A 61 -9.706 4.119 -7.042 1.00 11.21 H new ATOM 0 HB2 SER A 61 -8.600 3.251 -9.108 1.00 72.24 H new ATOM 0 HB3 SER A 61 -8.677 1.630 -8.447 1.00 72.24 H new ATOM 0 HG SER A 61 -10.472 2.097 -9.841 1.00 64.15 H new ATOM 933 N LYS A 62 -10.925 2.650 -5.474 1.00 35.35 N ATOM 934 CA LYS A 62 -11.681 1.816 -4.555 1.00 23.53 C ATOM 935 C LYS A 62 -12.710 0.996 -5.324 1.00 51.44 C ATOM 936 O LYS A 62 -12.626 0.866 -6.546 1.00 63.22 O ATOM 937 CB LYS A 62 -12.387 2.686 -3.523 1.00 51.21 C ATOM 938 CG LYS A 62 -11.461 3.643 -2.798 1.00 41.22 C ATOM 939 CD LYS A 62 -12.219 4.442 -1.762 1.00 54.33 C ATOM 940 CE LYS A 62 -11.411 5.623 -1.256 1.00 72.12 C ATOM 941 NZ LYS A 62 -11.195 6.645 -2.316 1.00 32.35 N ATOM 0 H LYS A 62 -11.320 3.579 -5.623 1.00 35.35 H new ATOM 0 HA LYS A 62 -10.994 1.141 -4.044 1.00 23.53 H new ATOM 0 HB2 LYS A 62 -13.171 3.258 -4.018 1.00 51.21 H new ATOM 0 HB3 LYS A 62 -12.876 2.043 -2.791 1.00 51.21 H new ATOM 0 HG2 LYS A 62 -10.658 3.085 -2.317 1.00 41.22 H new ATOM 0 HG3 LYS A 62 -10.995 4.319 -3.515 1.00 41.22 H new ATOM 0 HD2 LYS A 62 -13.154 4.800 -2.192 1.00 54.33 H new ATOM 0 HD3 LYS A 62 -12.480 3.795 -0.924 1.00 54.33 H new ATOM 0 HE2 LYS A 62 -11.927 6.080 -0.411 1.00 72.12 H new ATOM 0 HE3 LYS A 62 -10.447 5.272 -0.889 1.00 72.12 H new ATOM 0 HZ1 LYS A 62 -11.273 7.596 -1.902 1.00 32.35 H new ATOM 0 HZ2 LYS A 62 -10.248 6.523 -2.728 1.00 32.35 H new ATOM 0 HZ3 LYS A 62 -11.913 6.531 -3.060 1.00 32.35 H new ATOM 955 N LEU A 63 -13.691 0.460 -4.613 1.00 10.31 N ATOM 956 CA LEU A 63 -14.788 -0.251 -5.256 1.00 32.23 C ATOM 957 C LEU A 63 -15.865 0.738 -5.689 1.00 41.12 C ATOM 958 O LEU A 63 -17.053 0.420 -5.706 1.00 71.23 O ATOM 959 CB LEU A 63 -15.387 -1.311 -4.323 1.00 52.51 C ATOM 960 CG LEU A 63 -14.544 -2.577 -4.128 1.00 3.43 C ATOM 961 CD1 LEU A 63 -13.369 -2.317 -3.193 1.00 0.32 C ATOM 962 CD2 LEU A 63 -15.407 -3.715 -3.604 1.00 71.34 C ATOM 0 H LEU A 63 -13.751 0.503 -3.596 1.00 10.31 H new ATOM 0 HA LEU A 63 -14.394 -0.762 -6.134 1.00 32.23 H new ATOM 0 HB2 LEU A 63 -15.557 -0.856 -3.347 1.00 52.51 H new ATOM 0 HB3 LEU A 63 -16.362 -1.602 -4.713 1.00 52.51 H new ATOM 0 HG LEU A 63 -14.140 -2.867 -5.098 1.00 3.43 H new ATOM 0 HD11 LEU A 63 -12.789 -3.232 -3.074 1.00 0.32 H new ATOM 0 HD12 LEU A 63 -12.734 -1.538 -3.615 1.00 0.32 H new ATOM 0 HD13 LEU A 63 -13.742 -1.994 -2.221 1.00 0.32 H new ATOM 0 HD21 LEU A 63 -14.793 -4.606 -3.471 1.00 71.34 H new ATOM 0 HD22 LEU A 63 -15.844 -3.429 -2.647 1.00 71.34 H new ATOM 0 HD23 LEU A 63 -16.203 -3.926 -4.318 1.00 71.34 H new ATOM 974 N GLU A 64 -15.428 1.939 -6.042 1.00 44.21 N ATOM 975 CA GLU A 64 -16.316 2.974 -6.532 1.00 42.14 C ATOM 976 C GLU A 64 -16.608 2.734 -8.006 1.00 52.24 C ATOM 977 O GLU A 64 -15.842 2.037 -8.681 1.00 31.30 O ATOM 978 CB GLU A 64 -15.686 4.349 -6.329 1.00 74.43 C ATOM 979 CG GLU A 64 -15.352 4.645 -4.876 1.00 31.25 C ATOM 980 CD GLU A 64 -14.787 6.033 -4.674 1.00 43.41 C ATOM 981 OE1 GLU A 64 -15.581 6.994 -4.600 1.00 70.41 O ATOM 982 OE2 GLU A 64 -13.551 6.171 -4.580 1.00 4.43 O ATOM 0 H GLU A 64 -14.448 2.219 -5.995 1.00 44.21 H new ATOM 0 HA GLU A 64 -17.252 2.941 -5.974 1.00 42.14 H new ATOM 0 HB2 GLU A 64 -14.776 4.416 -6.925 1.00 74.43 H new ATOM 0 HB3 GLU A 64 -16.369 5.113 -6.701 1.00 74.43 H new ATOM 0 HG2 GLU A 64 -16.252 4.533 -4.271 1.00 31.25 H new ATOM 0 HG3 GLU A 64 -14.633 3.909 -4.516 1.00 31.25 H new ATOM 989 N HIS A 65 -17.715 3.294 -8.492 1.00 13.44 N ATOM 990 CA HIS A 65 -18.174 3.056 -9.861 1.00 41.32 C ATOM 991 C HIS A 65 -18.465 1.563 -10.030 1.00 73.12 C ATOM 992 O HIS A 65 -18.466 1.019 -11.133 1.00 32.43 O ATOM 993 CB HIS A 65 -17.112 3.536 -10.862 1.00 1.33 C ATOM 994 CG HIS A 65 -17.608 3.688 -12.264 1.00 2.20 C ATOM 995 ND1 HIS A 65 -17.131 2.939 -13.314 1.00 31.35 N ATOM 996 CD2 HIS A 65 -18.524 4.533 -12.792 1.00 43.24 C ATOM 997 CE1 HIS A 65 -17.727 3.315 -14.426 1.00 24.55 C ATOM 998 NE2 HIS A 65 -18.578 4.281 -14.139 1.00 13.12 N ATOM 0 H HIS A 65 -18.315 3.920 -7.954 1.00 13.44 H new ATOM 0 HA HIS A 65 -19.088 3.617 -10.056 1.00 41.32 H new ATOM 0 HB2 HIS A 65 -16.718 4.494 -10.523 1.00 1.33 H new ATOM 0 HB3 HIS A 65 -16.281 2.830 -10.858 1.00 1.33 H new ATOM 0 HD2 HIS A 65 -19.104 5.268 -12.253 1.00 43.24 H new ATOM 0 HE1 HIS A 65 -17.549 2.902 -15.408 1.00 24.55 H new ATOM 0 HE2 HIS A 65 -19.178 4.762 -14.809 1.00 13.12 H new ATOM 1007 N HIS A 66 -18.749 0.925 -8.902 1.00 42.25 N ATOM 1008 CA HIS A 66 -18.845 -0.520 -8.814 1.00 54.31 C ATOM 1009 C HIS A 66 -19.828 -0.879 -7.703 1.00 15.44 C ATOM 1010 O HIS A 66 -19.757 -0.319 -6.609 1.00 64.45 O ATOM 1011 CB HIS A 66 -17.447 -1.071 -8.497 1.00 11.03 C ATOM 1012 CG HIS A 66 -17.258 -2.548 -8.684 1.00 63.33 C ATOM 1013 ND1 HIS A 66 -16.153 -3.077 -9.319 1.00 72.22 N ATOM 1014 CD2 HIS A 66 -17.992 -3.608 -8.272 1.00 14.33 C ATOM 1015 CE1 HIS A 66 -16.218 -4.395 -9.291 1.00 34.20 C ATOM 1016 NE2 HIS A 66 -17.323 -4.741 -8.660 1.00 51.45 N ATOM 0 H HIS A 66 -18.920 1.403 -8.017 1.00 42.25 H new ATOM 0 HA HIS A 66 -19.201 -0.951 -9.750 1.00 54.31 H new ATOM 0 HB2 HIS A 66 -16.724 -0.551 -9.125 1.00 11.03 H new ATOM 0 HB3 HIS A 66 -17.208 -0.823 -7.463 1.00 11.03 H new ATOM 0 HD2 HIS A 66 -18.930 -3.569 -7.737 1.00 14.33 H new ATOM 0 HE1 HIS A 66 -15.491 -5.073 -9.712 1.00 34.20 H new ATOM 0 HE2 HIS A 66 -17.631 -5.698 -8.488 1.00 51.45 H new ATOM 1025 N HIS A 67 -20.762 -1.777 -7.984 1.00 40.23 N ATOM 1026 CA HIS A 67 -21.730 -2.181 -6.973 1.00 35.15 C ATOM 1027 C HIS A 67 -21.027 -2.947 -5.856 1.00 71.12 C ATOM 1028 O HIS A 67 -20.123 -3.740 -6.111 1.00 12.12 O ATOM 1029 CB HIS A 67 -22.877 -3.020 -7.586 1.00 12.43 C ATOM 1030 CG HIS A 67 -22.536 -4.456 -7.888 1.00 22.33 C ATOM 1031 ND1 HIS A 67 -22.198 -4.909 -9.146 1.00 44.25 N ATOM 1032 CD2 HIS A 67 -22.503 -5.543 -7.082 1.00 44.42 C ATOM 1033 CE1 HIS A 67 -21.972 -6.211 -9.097 1.00 25.42 C ATOM 1034 NE2 HIS A 67 -22.150 -6.618 -7.856 1.00 60.21 N ATOM 0 H HIS A 67 -20.870 -2.234 -8.889 1.00 40.23 H new ATOM 0 HA HIS A 67 -22.180 -1.282 -6.553 1.00 35.15 H new ATOM 0 HB2 HIS A 67 -23.724 -3.002 -6.901 1.00 12.43 H new ATOM 0 HB3 HIS A 67 -23.203 -2.540 -8.509 1.00 12.43 H new ATOM 0 HD2 HIS A 67 -22.716 -5.560 -6.023 1.00 44.42 H new ATOM 0 HE1 HIS A 67 -21.690 -6.835 -9.932 1.00 25.42 H new ATOM 0 HE2 HIS A 67 -22.043 -7.577 -7.525 1.00 60.21 H new ATOM 1043 N HIS A 68 -21.427 -2.694 -4.627 1.00 44.23 N ATOM 1044 CA HIS A 68 -20.849 -3.386 -3.485 1.00 33.43 C ATOM 1045 C HIS A 68 -21.679 -4.612 -3.154 1.00 74.21 C ATOM 1046 O HIS A 68 -22.884 -4.642 -3.416 1.00 43.52 O ATOM 1047 CB HIS A 68 -20.800 -2.487 -2.246 1.00 55.43 C ATOM 1048 CG HIS A 68 -19.918 -1.287 -2.369 1.00 15.44 C ATOM 1049 ND1 HIS A 68 -20.027 -0.199 -1.534 1.00 42.11 N ATOM 1050 CD2 HIS A 68 -18.900 -1.004 -3.218 1.00 50.11 C ATOM 1051 CE1 HIS A 68 -19.123 0.699 -1.863 1.00 25.55 C ATOM 1052 NE2 HIS A 68 -18.425 0.237 -2.881 1.00 31.42 N ATOM 0 H HIS A 68 -22.150 -2.015 -4.389 1.00 44.23 H new ATOM 0 HA HIS A 68 -19.832 -3.670 -3.755 1.00 33.43 H new ATOM 0 HB2 HIS A 68 -21.812 -2.153 -2.018 1.00 55.43 H new ATOM 0 HB3 HIS A 68 -20.462 -3.082 -1.397 1.00 55.43 H new ATOM 0 HD2 HIS A 68 -18.532 -1.638 -4.011 1.00 50.11 H new ATOM 0 HE1 HIS A 68 -18.978 1.654 -1.380 1.00 25.55 H new ATOM 0 HE2 HIS A 68 -17.657 0.724 -3.343 1.00 31.42 H new ATOM 1061 N HIS A 69 -21.041 -5.624 -2.604 1.00 73.11 N ATOM 1062 CA HIS A 69 -21.765 -6.751 -2.054 1.00 72.54 C ATOM 1063 C HIS A 69 -21.911 -6.527 -0.557 1.00 3.25 C ATOM 1064 O HIS A 69 -21.009 -6.857 0.215 1.00 23.54 O ATOM 1065 CB HIS A 69 -21.036 -8.064 -2.344 1.00 54.23 C ATOM 1066 CG HIS A 69 -21.934 -9.264 -2.321 1.00 21.22 C ATOM 1067 ND1 HIS A 69 -22.012 -10.130 -1.255 1.00 25.41 N ATOM 1068 CD2 HIS A 69 -22.790 -9.747 -3.254 1.00 74.12 C ATOM 1069 CE1 HIS A 69 -22.872 -11.091 -1.532 1.00 33.04 C ATOM 1070 NE2 HIS A 69 -23.359 -10.884 -2.740 1.00 31.34 N ATOM 0 H HIS A 69 -20.026 -5.690 -2.526 1.00 73.11 H new ATOM 0 HA HIS A 69 -22.749 -6.826 -2.518 1.00 72.54 H new ATOM 0 HB2 HIS A 69 -20.558 -7.997 -3.321 1.00 54.23 H new ATOM 0 HB3 HIS A 69 -20.242 -8.200 -1.609 1.00 54.23 H new ATOM 0 HD2 HIS A 69 -22.988 -9.316 -4.224 1.00 74.12 H new ATOM 0 HE1 HIS A 69 -23.134 -11.910 -0.879 1.00 33.04 H new ATOM 0 HE2 HIS A 69 -24.045 -11.472 -3.213 1.00 31.34 H new ATOM 1079 N HIS A 70 -23.044 -5.941 -0.171 1.00 23.44 N ATOM 1080 CA HIS A 70 -23.256 -5.429 1.182 1.00 65.33 C ATOM 1081 C HIS A 70 -22.371 -4.207 1.410 1.00 10.41 C ATOM 1082 O HIS A 70 -21.279 -4.357 1.998 1.00 38.03 O ATOM 1083 CB HIS A 70 -22.985 -6.488 2.263 1.00 42.34 C ATOM 1084 CG HIS A 70 -23.890 -7.679 2.201 1.00 41.34 C ATOM 1085 ND1 HIS A 70 -25.264 -7.588 2.213 1.00 43.40 N ATOM 1086 CD2 HIS A 70 -23.605 -9.000 2.134 1.00 61.22 C ATOM 1087 CE1 HIS A 70 -25.784 -8.799 2.162 1.00 52.32 C ATOM 1088 NE2 HIS A 70 -24.799 -9.673 2.113 1.00 1.44 N ATOM 1089 OXT HIS A 70 -22.761 -3.105 0.968 1.00 38.03 O ATOM 0 H HIS A 70 -23.843 -5.808 -0.790 1.00 23.44 H new ATOM 0 HA HIS A 70 -24.307 -5.151 1.267 1.00 65.33 H new ATOM 0 HB2 HIS A 70 -21.953 -6.826 2.173 1.00 42.34 H new ATOM 0 HB3 HIS A 70 -23.084 -6.022 3.244 1.00 42.34 H new ATOM 0 HD2 HIS A 70 -22.620 -9.442 2.103 1.00 61.22 H new ATOM 0 HE1 HIS A 70 -26.838 -9.034 2.161 1.00 52.32 H new ATOM 0 HE2 HIS A 70 -24.907 -10.686 2.067 1.00 1.44 H new TER 1098 HIS A 70