USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 624 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 27 HIS : no HD1:sc= -0.637 K(o=-5.7,f=-6.5) USER MOD Set 1.2: A 31 HIS : no HD1:sc= -5.07! C(o=-5.7!,f=-6.1!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= -0.417 USER MOD Set 2.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.233 (180deg=0.144) USER MOD Single : A 3 LYS NZ :NH3+ -124:sc= -0.0933 (180deg=-0.391) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -134:sc= -0.0119 (180deg=-0.193) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00309 USER MOD Single : A 23 SER OG : rot 114:sc= 1.31 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.202 USER MOD Single : A 35 SER OG : rot 8:sc= 0.191 USER MOD Single : A 37 ASN : amide:sc= -0.398 X(o=-0.4,f=-0.44) USER MOD Single : A 42 SER OG : rot 170:sc= -1.45 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot -27:sc= -2.17 USER MOD Single : A 46 SER OG : rot 180:sc= -0.688 USER MOD Single : A 50 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0501) USER MOD Single : A 51 THR OG1 : rot -32:sc= 0.701 USER MOD Single : A 52 MET CE :methyl 167:sc= -0.955 (180deg=-1.39) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0.459 (180deg=0.443) USER MOD Single : A 58 SER OG : rot -99:sc= 1.26 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -144:sc= -0.328 (180deg=-1.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 152:sc= -0.0218 (180deg=-0.157) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.519 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.761 17.335 3.844 1.00 0.00 N ATOM 2 CA MET A 1 -24.623 16.393 3.635 1.00 0.00 C ATOM 3 C MET A 1 -23.836 16.787 2.383 1.00 0.00 C ATOM 4 O MET A 1 -24.131 17.777 1.739 1.00 0.00 O ATOM 5 CB MET A 1 -25.273 15.021 3.452 1.00 0.00 C ATOM 6 CG MET A 1 -25.222 14.246 4.770 1.00 0.00 C ATOM 7 SD MET A 1 -26.623 14.729 5.809 1.00 0.00 S ATOM 8 CE MET A 1 -27.693 13.323 5.418 1.00 0.00 C ATOM 0 H1 MET A 1 -26.446 16.912 4.502 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.404 18.227 4.242 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.227 17.524 2.934 1.00 0.00 H new ATOM 0 HA MET A 1 -23.920 16.402 4.468 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.307 15.138 3.128 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.755 14.464 2.671 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.253 13.174 4.575 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.285 14.449 5.288 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.633 13.418 5.962 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.894 13.306 4.347 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.198 12.397 5.709 1.00 0.00 H new ATOM 20 N GLY A 2 -22.836 16.017 2.034 1.00 0.00 N ATOM 21 CA GLY A 2 -22.022 16.337 0.825 1.00 0.00 C ATOM 22 C GLY A 2 -20.891 17.293 1.208 1.00 0.00 C ATOM 23 O GLY A 2 -19.795 16.873 1.529 1.00 0.00 O ATOM 0 H GLY A 2 -22.549 15.178 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -21.610 15.422 0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -22.652 16.790 0.059 1.00 0.00 H new ATOM 27 N LYS A 3 -21.151 18.575 1.177 1.00 0.00 N ATOM 28 CA LYS A 3 -20.096 19.569 1.539 1.00 0.00 C ATOM 29 C LYS A 3 -20.389 20.174 2.915 1.00 0.00 C ATOM 30 O LYS A 3 -21.326 20.932 3.081 1.00 0.00 O ATOM 31 CB LYS A 3 -20.174 20.642 0.453 1.00 0.00 C ATOM 32 CG LYS A 3 -18.890 21.474 0.464 1.00 0.00 C ATOM 33 CD LYS A 3 -19.170 22.854 -0.136 1.00 0.00 C ATOM 34 CE LYS A 3 -18.956 22.806 -1.651 1.00 0.00 C ATOM 35 NZ LYS A 3 -20.303 22.524 -2.220 1.00 0.00 N ATOM 0 H LYS A 3 -22.051 18.977 0.916 1.00 0.00 H new ATOM 0 HA LYS A 3 -19.105 19.118 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -20.310 20.177 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -21.038 21.285 0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.520 21.578 1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.112 20.968 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -20.192 23.159 0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.510 23.597 0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -18.559 23.750 -2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.241 22.030 -1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.258 21.670 -2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -20.982 22.374 -1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.611 23.331 -2.799 1.00 0.00 H new ATOM 49 N GLY A 4 -19.593 19.841 3.900 1.00 0.00 N ATOM 50 CA GLY A 4 -19.817 20.391 5.269 1.00 0.00 C ATOM 51 C GLY A 4 -18.970 21.651 5.460 1.00 0.00 C ATOM 52 O GLY A 4 -19.346 22.558 6.178 1.00 0.00 O ATOM 0 H GLY A 4 -18.796 19.210 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.872 20.625 5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.553 19.646 6.019 1.00 0.00 H new ATOM 56 N ASP A 5 -17.829 21.711 4.821 1.00 0.00 N ATOM 57 CA ASP A 5 -16.950 22.910 4.958 1.00 0.00 C ATOM 58 C ASP A 5 -17.354 23.985 3.938 1.00 0.00 C ATOM 59 O ASP A 5 -18.070 23.699 3.000 1.00 0.00 O ATOM 60 CB ASP A 5 -15.537 22.399 4.667 1.00 0.00 C ATOM 61 CG ASP A 5 -14.915 21.856 5.954 1.00 0.00 C ATOM 62 OD1 ASP A 5 -14.607 22.655 6.823 1.00 0.00 O ATOM 63 OD2 ASP A 5 -14.758 20.650 6.050 1.00 0.00 O ATOM 0 H ASP A 5 -17.468 20.979 4.209 1.00 0.00 H new ATOM 0 HA ASP A 5 -17.025 23.366 5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.571 21.617 3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.923 23.205 4.266 1.00 0.00 H new ATOM 68 N PRO A 6 -16.884 25.198 4.147 1.00 0.00 N ATOM 69 CA PRO A 6 -17.219 26.306 3.215 1.00 0.00 C ATOM 70 C PRO A 6 -16.458 26.135 1.904 1.00 0.00 C ATOM 71 O PRO A 6 -16.991 26.331 0.829 1.00 0.00 O ATOM 72 CB PRO A 6 -16.717 27.550 3.940 1.00 0.00 C ATOM 73 CG PRO A 6 -15.631 27.052 4.838 1.00 0.00 C ATOM 74 CD PRO A 6 -16.012 25.654 5.244 1.00 0.00 C ATOM 0 HA PRO A 6 -18.280 26.348 2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -16.340 28.293 3.237 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -17.515 28.026 4.510 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.670 27.057 4.323 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.527 27.694 5.713 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -15.135 25.015 5.351 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.533 25.643 6.201 1.00 0.00 H new ATOM 82 N ASN A 7 -15.202 25.789 1.998 1.00 0.00 N ATOM 83 CA ASN A 7 -14.368 25.618 0.777 1.00 0.00 C ATOM 84 C ASN A 7 -13.599 24.294 0.842 1.00 0.00 C ATOM 85 O ASN A 7 -12.480 24.240 1.318 1.00 0.00 O ATOM 86 CB ASN A 7 -13.403 26.810 0.807 1.00 0.00 C ATOM 87 CG ASN A 7 -13.772 27.805 -0.296 1.00 0.00 C ATOM 88 OD1 ASN A 7 -13.131 27.855 -1.326 1.00 0.00 O ATOM 89 ND2 ASN A 7 -14.790 28.603 -0.121 1.00 0.00 N ATOM 0 H ASN A 7 -14.715 25.616 2.878 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.960 25.589 -0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -13.446 27.300 1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.379 26.464 0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.047 29.269 -0.850 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.328 28.561 0.744 1.00 0.00 H new ATOM 96 N LYS A 8 -14.193 23.230 0.365 1.00 0.00 N ATOM 97 CA LYS A 8 -13.504 21.905 0.393 1.00 0.00 C ATOM 98 C LYS A 8 -14.154 20.947 -0.620 1.00 0.00 C ATOM 99 O LYS A 8 -15.357 20.970 -0.794 1.00 0.00 O ATOM 100 CB LYS A 8 -13.699 21.390 1.820 1.00 0.00 C ATOM 101 CG LYS A 8 -12.820 20.159 2.044 1.00 0.00 C ATOM 102 CD LYS A 8 -13.140 19.543 3.408 1.00 0.00 C ATOM 103 CE LYS A 8 -12.034 18.560 3.797 1.00 0.00 C ATOM 104 NZ LYS A 8 -12.634 17.708 4.861 1.00 0.00 N ATOM 0 H LYS A 8 -15.128 23.222 -0.044 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.450 21.980 0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.441 22.169 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.746 21.137 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.992 19.428 1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.767 20.438 1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.226 20.326 4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.101 19.030 3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.719 17.961 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.150 19.084 4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.935 17.007 5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.918 18.304 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.469 17.217 4.483 1.00 0.00 H new ATOM 118 N PRO A 9 -13.345 20.128 -1.263 1.00 0.00 N ATOM 119 CA PRO A 9 -13.889 19.172 -2.260 1.00 0.00 C ATOM 120 C PRO A 9 -14.617 18.023 -1.555 1.00 0.00 C ATOM 121 O PRO A 9 -14.377 17.744 -0.397 1.00 0.00 O ATOM 122 CB PRO A 9 -12.648 18.661 -2.986 1.00 0.00 C ATOM 123 CG PRO A 9 -11.524 18.844 -2.016 1.00 0.00 C ATOM 124 CD PRO A 9 -11.882 20.012 -1.135 1.00 0.00 C ATOM 0 HA PRO A 9 -14.614 19.626 -2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.759 17.614 -3.267 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.471 19.220 -3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.379 17.943 -1.420 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.588 19.032 -2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.586 19.836 -0.101 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.381 20.924 -1.460 1.00 0.00 H new ATOM 132 N ARG A 10 -15.505 17.358 -2.252 1.00 0.00 N ATOM 133 CA ARG A 10 -16.255 16.222 -1.629 1.00 0.00 C ATOM 134 C ARG A 10 -15.295 15.077 -1.289 1.00 0.00 C ATOM 135 O ARG A 10 -14.102 15.175 -1.500 1.00 0.00 O ATOM 136 CB ARG A 10 -17.280 15.781 -2.683 1.00 0.00 C ATOM 137 CG ARG A 10 -16.565 15.373 -3.976 1.00 0.00 C ATOM 138 CD ARG A 10 -17.509 14.527 -4.834 1.00 0.00 C ATOM 139 NE ARG A 10 -18.353 15.514 -5.564 1.00 0.00 N ATOM 140 CZ ARG A 10 -19.481 15.917 -5.046 1.00 0.00 C ATOM 141 NH1 ARG A 10 -20.522 15.130 -5.054 1.00 0.00 N ATOM 142 NH2 ARG A 10 -19.568 17.109 -4.520 1.00 0.00 N ATOM 0 H ARG A 10 -15.743 17.552 -3.225 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.741 16.513 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -17.866 14.944 -2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.978 16.594 -2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.252 16.260 -4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.663 14.808 -3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.953 13.894 -5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.118 13.866 -4.217 1.00 0.00 H new ATOM 0 HE ARG A 10 -18.049 15.875 -6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -20.454 14.199 -5.465 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -21.403 15.446 -4.649 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.755 17.724 -4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.449 17.425 -4.115 1.00 0.00 H new ATOM 156 N GLY A 11 -15.813 13.996 -0.765 1.00 0.00 N ATOM 157 CA GLY A 11 -14.940 12.839 -0.407 1.00 0.00 C ATOM 158 C GLY A 11 -14.690 11.981 -1.648 1.00 0.00 C ATOM 159 O GLY A 11 -15.210 12.250 -2.713 1.00 0.00 O ATOM 0 H GLY A 11 -16.805 13.865 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.993 13.197 -0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -15.413 12.241 0.372 1.00 0.00 H new ATOM 163 N LYS A 12 -13.895 10.949 -1.514 1.00 0.00 N ATOM 164 CA LYS A 12 -13.603 10.064 -2.681 1.00 0.00 C ATOM 165 C LYS A 12 -14.448 8.789 -2.601 1.00 0.00 C ATOM 166 O LYS A 12 -15.356 8.687 -1.798 1.00 0.00 O ATOM 167 CB LYS A 12 -12.114 9.729 -2.564 1.00 0.00 C ATOM 168 CG LYS A 12 -11.278 10.840 -3.213 1.00 0.00 C ATOM 169 CD LYS A 12 -10.734 10.361 -4.562 1.00 0.00 C ATOM 170 CE LYS A 12 -11.748 10.675 -5.664 1.00 0.00 C ATOM 171 NZ LYS A 12 -11.551 12.119 -5.969 1.00 0.00 N ATOM 0 H LYS A 12 -13.435 10.681 -0.644 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.839 10.543 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.838 9.619 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.907 8.775 -3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.889 11.732 -3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.454 11.118 -2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.784 10.851 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.539 9.289 -4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.576 10.058 -6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.767 10.477 -5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.476 12.592 -6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.980 12.558 -5.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.060 12.217 -6.880 1.00 0.00 H new ATOM 185 N MET A 13 -14.152 7.819 -3.428 1.00 0.00 N ATOM 186 CA MET A 13 -14.931 6.546 -3.407 1.00 0.00 C ATOM 187 C MET A 13 -14.131 5.449 -2.698 1.00 0.00 C ATOM 188 O MET A 13 -13.125 5.715 -2.067 1.00 0.00 O ATOM 189 CB MET A 13 -15.146 6.189 -4.878 1.00 0.00 C ATOM 190 CG MET A 13 -16.223 7.100 -5.472 1.00 0.00 C ATOM 191 SD MET A 13 -16.420 6.733 -7.233 1.00 0.00 S ATOM 192 CE MET A 13 -17.735 7.930 -7.568 1.00 0.00 C ATOM 0 H MET A 13 -13.402 7.855 -4.118 1.00 0.00 H new ATOM 0 HA MET A 13 -15.875 6.647 -2.871 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.213 6.302 -5.431 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.446 5.145 -4.970 1.00 0.00 H new ATOM 0 HG2 MET A 13 -17.169 6.951 -4.951 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.946 8.145 -5.336 1.00 0.00 H new ATOM 0 HE1 MET A 13 -18.018 7.875 -8.619 1.00 0.00 H new ATOM 0 HE2 MET A 13 -18.601 7.702 -6.947 1.00 0.00 H new ATOM 0 HE3 MET A 13 -17.379 8.935 -7.340 1.00 0.00 H new ATOM 202 N SER A 14 -14.574 4.221 -2.798 1.00 0.00 N ATOM 203 CA SER A 14 -13.846 3.101 -2.132 1.00 0.00 C ATOM 204 C SER A 14 -14.284 1.759 -2.724 1.00 0.00 C ATOM 205 O SER A 14 -15.130 1.704 -3.597 1.00 0.00 O ATOM 206 CB SER A 14 -14.241 3.194 -0.659 1.00 0.00 C ATOM 207 OG SER A 14 -13.946 1.963 -0.012 1.00 0.00 O ATOM 0 H SER A 14 -15.410 3.946 -3.313 1.00 0.00 H new ATOM 0 HA SER A 14 -12.767 3.169 -2.269 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.701 4.009 -0.177 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.304 3.419 -0.570 1.00 0.00 H new ATOM 0 HG SER A 14 -14.197 2.022 0.933 1.00 0.00 H new ATOM 213 N SER A 15 -13.713 0.679 -2.255 1.00 0.00 N ATOM 214 CA SER A 15 -14.090 -0.668 -2.788 1.00 0.00 C ATOM 215 C SER A 15 -15.563 -0.961 -2.492 1.00 0.00 C ATOM 216 O SER A 15 -16.219 -1.680 -3.222 1.00 0.00 O ATOM 217 CB SER A 15 -13.189 -1.660 -2.051 1.00 0.00 C ATOM 218 OG SER A 15 -13.477 -1.611 -0.659 1.00 0.00 O ATOM 0 H SER A 15 -13.001 0.670 -1.525 1.00 0.00 H new ATOM 0 HA SER A 15 -13.963 -0.731 -3.869 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.350 -2.668 -2.432 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.141 -1.417 -2.226 1.00 0.00 H new ATOM 0 HG SER A 15 -12.903 -2.247 -0.184 1.00 0.00 H new ATOM 224 N TYR A 16 -16.085 -0.409 -1.425 1.00 0.00 N ATOM 225 CA TYR A 16 -17.517 -0.652 -1.075 1.00 0.00 C ATOM 226 C TYR A 16 -18.431 0.179 -1.980 1.00 0.00 C ATOM 227 O TYR A 16 -19.542 -0.216 -2.283 1.00 0.00 O ATOM 228 CB TYR A 16 -17.656 -0.206 0.382 1.00 0.00 C ATOM 229 CG TYR A 16 -18.976 -0.688 0.933 1.00 0.00 C ATOM 230 CD1 TYR A 16 -19.062 -1.944 1.547 1.00 0.00 C ATOM 231 CD2 TYR A 16 -20.115 0.120 0.831 1.00 0.00 C ATOM 232 CE1 TYR A 16 -20.286 -2.392 2.058 1.00 0.00 C ATOM 233 CE2 TYR A 16 -21.338 -0.327 1.344 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.424 -1.582 1.957 1.00 0.00 C ATOM 235 OH TYR A 16 -22.631 -2.023 2.461 1.00 0.00 O ATOM 0 H TYR A 16 -15.580 0.200 -0.781 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.801 -1.696 -1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.834 -0.606 0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.597 0.880 0.448 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -18.184 -2.567 1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.050 1.088 0.357 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.353 -3.361 2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -22.216 0.297 1.267 1.00 0.00 H new ATOM 0 HH TYR A 16 -23.318 -1.340 2.310 1.00 0.00 H new ATOM 245 N ALA A 17 -17.969 1.324 -2.414 1.00 0.00 N ATOM 246 CA ALA A 17 -18.805 2.185 -3.304 1.00 0.00 C ATOM 247 C ALA A 17 -18.743 1.671 -4.744 1.00 0.00 C ATOM 248 O ALA A 17 -19.677 1.825 -5.508 1.00 0.00 O ATOM 249 CB ALA A 17 -18.185 3.580 -3.206 1.00 0.00 C ATOM 0 H ALA A 17 -17.048 1.700 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.855 2.185 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.745 4.272 -3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.218 3.921 -2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.149 3.542 -3.542 1.00 0.00 H new ATOM 255 N PHE A 18 -17.648 1.057 -5.115 1.00 0.00 N ATOM 256 CA PHE A 18 -17.515 0.524 -6.504 1.00 0.00 C ATOM 257 C PHE A 18 -18.226 -0.828 -6.620 1.00 0.00 C ATOM 258 O PHE A 18 -18.709 -1.195 -7.674 1.00 0.00 O ATOM 259 CB PHE A 18 -16.011 0.361 -6.727 1.00 0.00 C ATOM 260 CG PHE A 18 -15.433 1.664 -7.227 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.898 2.222 -8.424 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.433 2.313 -6.494 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.363 3.429 -8.888 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.898 3.521 -6.958 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.364 4.080 -8.155 1.00 0.00 C ATOM 0 H PHE A 18 -16.839 0.902 -4.514 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.965 1.185 -7.245 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.524 0.068 -5.797 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.823 -0.434 -7.449 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.670 1.721 -8.989 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.074 1.882 -5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.721 3.858 -9.812 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.126 4.022 -6.393 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.953 5.013 -8.512 1.00 0.00 H new ATOM 275 N PHE A 19 -18.293 -1.566 -5.540 1.00 0.00 N ATOM 276 CA PHE A 19 -18.975 -2.897 -5.578 1.00 0.00 C ATOM 277 C PHE A 19 -20.455 -2.716 -5.931 1.00 0.00 C ATOM 278 O PHE A 19 -20.986 -3.404 -6.783 1.00 0.00 O ATOM 279 CB PHE A 19 -18.826 -3.470 -4.168 1.00 0.00 C ATOM 280 CG PHE A 19 -19.189 -4.936 -4.180 1.00 0.00 C ATOM 281 CD1 PHE A 19 -20.521 -5.328 -4.000 1.00 0.00 C ATOM 282 CD2 PHE A 19 -18.194 -5.902 -4.371 1.00 0.00 C ATOM 283 CE1 PHE A 19 -20.858 -6.687 -4.011 1.00 0.00 C ATOM 284 CE2 PHE A 19 -18.531 -7.261 -4.382 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.863 -7.652 -4.201 1.00 0.00 C ATOM 0 H PHE A 19 -17.905 -1.305 -4.634 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.543 -3.559 -6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.802 -3.341 -3.818 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.471 -2.930 -3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -21.288 -4.582 -3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.167 -5.599 -4.510 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -21.885 -6.990 -3.873 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -17.764 -8.007 -4.530 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.123 -8.700 -4.208 1.00 0.00 H new ATOM 295 N VAL A 20 -21.119 -1.792 -5.284 1.00 0.00 N ATOM 296 CA VAL A 20 -22.568 -1.556 -5.581 1.00 0.00 C ATOM 297 C VAL A 20 -22.735 -1.125 -7.042 1.00 0.00 C ATOM 298 O VAL A 20 -23.705 -1.467 -7.691 1.00 0.00 O ATOM 299 CB VAL A 20 -22.997 -0.436 -4.625 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.462 -0.060 -4.877 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.842 -0.916 -3.180 1.00 0.00 C ATOM 0 H VAL A 20 -20.722 -1.190 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.175 -2.451 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.368 0.438 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.756 0.736 -4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.578 0.284 -5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.095 -0.932 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.146 -0.122 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.469 -1.793 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.800 -1.176 -2.993 1.00 0.00 H new ATOM 311 N GLN A 21 -21.791 -0.379 -7.562 1.00 0.00 N ATOM 312 CA GLN A 21 -21.887 0.074 -8.983 1.00 0.00 C ATOM 313 C GLN A 21 -21.785 -1.129 -9.923 1.00 0.00 C ATOM 314 O GLN A 21 -22.678 -1.393 -10.706 1.00 0.00 O ATOM 315 CB GLN A 21 -20.699 1.017 -9.189 1.00 0.00 C ATOM 316 CG GLN A 21 -21.040 2.036 -10.281 1.00 0.00 C ATOM 317 CD GLN A 21 -19.778 2.369 -11.081 1.00 0.00 C ATOM 318 OE1 GLN A 21 -18.852 2.957 -10.560 1.00 0.00 O ATOM 319 NE2 GLN A 21 -19.705 2.017 -12.335 1.00 0.00 N ATOM 0 H GLN A 21 -20.959 -0.065 -7.063 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.835 0.569 -9.194 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.463 1.531 -8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.814 0.448 -9.472 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.807 1.633 -10.942 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -21.449 2.942 -9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -20.483 1.523 -12.772 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.870 2.236 -12.878 1.00 0.00 H new ATOM 328 N THR A 22 -20.702 -1.862 -9.847 1.00 0.00 N ATOM 329 CA THR A 22 -20.537 -3.056 -10.731 1.00 0.00 C ATOM 330 C THR A 22 -21.620 -4.092 -10.419 1.00 0.00 C ATOM 331 O THR A 22 -22.036 -4.846 -11.279 1.00 0.00 O ATOM 332 CB THR A 22 -19.150 -3.616 -10.402 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.184 -2.581 -10.524 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.812 -4.750 -11.371 1.00 0.00 C ATOM 0 H THR A 22 -19.925 -1.685 -9.211 1.00 0.00 H new ATOM 0 HA THR A 22 -20.629 -2.801 -11.787 1.00 0.00 H new ATOM 0 HB THR A 22 -19.145 -4.001 -9.382 1.00 0.00 H new ATOM 0 HG1 THR A 22 -17.296 -2.936 -10.312 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.825 -5.148 -11.136 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.554 -5.543 -11.277 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.816 -4.369 -12.392 1.00 0.00 H new ATOM 342 N SER A 23 -22.079 -4.129 -9.193 1.00 0.00 N ATOM 343 CA SER A 23 -23.139 -5.111 -8.815 1.00 0.00 C ATOM 344 C SER A 23 -24.497 -4.651 -9.350 1.00 0.00 C ATOM 345 O SER A 23 -25.358 -5.454 -9.656 1.00 0.00 O ATOM 346 CB SER A 23 -23.143 -5.128 -7.286 1.00 0.00 C ATOM 347 OG SER A 23 -21.959 -5.762 -6.820 1.00 0.00 O ATOM 0 H SER A 23 -21.764 -3.520 -8.437 1.00 0.00 H new ATOM 0 HA SER A 23 -22.951 -6.101 -9.230 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.200 -4.110 -6.900 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.022 -5.658 -6.919 1.00 0.00 H new ATOM 0 HG SER A 23 -21.401 -5.108 -6.350 1.00 0.00 H new ATOM 353 N ARG A 24 -24.689 -3.361 -9.469 1.00 0.00 N ATOM 354 CA ARG A 24 -25.987 -2.836 -9.990 1.00 0.00 C ATOM 355 C ARG A 24 -26.034 -2.971 -11.514 1.00 0.00 C ATOM 356 O ARG A 24 -27.073 -3.237 -12.089 1.00 0.00 O ATOM 357 CB ARG A 24 -26.016 -1.362 -9.581 1.00 0.00 C ATOM 358 CG ARG A 24 -27.411 -0.788 -9.836 1.00 0.00 C ATOM 359 CD ARG A 24 -27.391 0.724 -9.605 1.00 0.00 C ATOM 360 NE ARG A 24 -26.986 1.307 -10.915 1.00 0.00 N ATOM 361 CZ ARG A 24 -26.310 2.423 -10.951 1.00 0.00 C ATOM 362 NH1 ARG A 24 -26.909 3.557 -10.709 1.00 0.00 N ATOM 363 NH2 ARG A 24 -25.035 2.405 -11.229 1.00 0.00 N ATOM 0 H ARG A 24 -24.001 -2.648 -9.227 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.842 -3.383 -9.594 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.757 -1.261 -8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.272 -0.802 -10.147 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -27.725 -1.006 -10.857 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -28.136 -1.258 -9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -28.370 1.089 -9.296 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -26.687 0.994 -8.818 1.00 0.00 H new ATOM 0 HE ARG A 24 -27.237 0.834 -11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -27.905 3.571 -10.492 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -26.381 4.429 -10.737 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -24.567 1.519 -11.418 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -24.507 3.277 -11.257 1.00 0.00 H new ATOM 377 N GLU A 25 -24.914 -2.794 -12.168 1.00 0.00 N ATOM 378 CA GLU A 25 -24.882 -2.915 -13.658 1.00 0.00 C ATOM 379 C GLU A 25 -25.278 -4.334 -14.074 1.00 0.00 C ATOM 380 O GLU A 25 -26.134 -4.527 -14.917 1.00 0.00 O ATOM 381 CB GLU A 25 -23.436 -2.623 -14.059 1.00 0.00 C ATOM 382 CG GLU A 25 -23.158 -1.126 -13.910 1.00 0.00 C ATOM 383 CD GLU A 25 -22.008 -0.726 -14.836 1.00 0.00 C ATOM 384 OE1 GLU A 25 -22.131 -0.943 -16.030 1.00 0.00 O ATOM 385 OE2 GLU A 25 -21.024 -0.207 -14.336 1.00 0.00 O ATOM 0 H GLU A 25 -24.018 -2.570 -11.734 1.00 0.00 H new ATOM 0 HA GLU A 25 -25.578 -2.230 -14.142 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -22.751 -3.195 -13.433 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.263 -2.935 -15.089 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.052 -0.553 -14.155 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -22.904 -0.894 -12.876 1.00 0.00 H new ATOM 392 N GLU A 26 -24.662 -5.324 -13.481 1.00 0.00 N ATOM 393 CA GLU A 26 -25.000 -6.739 -13.830 1.00 0.00 C ATOM 394 C GLU A 26 -26.469 -7.025 -13.505 1.00 0.00 C ATOM 395 O GLU A 26 -27.094 -7.873 -14.113 1.00 0.00 O ATOM 396 CB GLU A 26 -24.081 -7.600 -12.961 1.00 0.00 C ATOM 397 CG GLU A 26 -24.268 -9.075 -13.322 1.00 0.00 C ATOM 398 CD GLU A 26 -23.191 -9.911 -12.629 1.00 0.00 C ATOM 399 OE1 GLU A 26 -23.368 -10.223 -11.463 1.00 0.00 O ATOM 400 OE2 GLU A 26 -22.205 -10.225 -13.276 1.00 0.00 O ATOM 0 H GLU A 26 -23.939 -5.215 -12.770 1.00 0.00 H new ATOM 0 HA GLU A 26 -24.861 -6.945 -14.891 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.042 -7.307 -13.112 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.307 -7.442 -11.907 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -25.258 -9.412 -13.016 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.206 -9.207 -14.402 1.00 0.00 H new ATOM 407 N HIS A 27 -27.024 -6.319 -12.550 1.00 0.00 N ATOM 408 CA HIS A 27 -28.456 -6.541 -12.181 1.00 0.00 C ATOM 409 C HIS A 27 -29.371 -6.074 -13.318 1.00 0.00 C ATOM 410 O HIS A 27 -30.458 -6.589 -13.501 1.00 0.00 O ATOM 411 CB HIS A 27 -28.687 -5.693 -10.927 1.00 0.00 C ATOM 412 CG HIS A 27 -29.991 -6.087 -10.289 1.00 0.00 C ATOM 413 ND1 HIS A 27 -30.139 -7.265 -9.577 1.00 0.00 N ATOM 414 CD2 HIS A 27 -31.215 -5.468 -10.250 1.00 0.00 C ATOM 415 CE1 HIS A 27 -31.412 -7.319 -9.141 1.00 0.00 C ATOM 416 NE2 HIS A 27 -32.112 -6.247 -9.524 1.00 0.00 N ATOM 0 H HIS A 27 -26.546 -5.598 -12.010 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.675 -7.594 -12.003 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.867 -5.835 -10.223 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.703 -4.635 -11.188 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -31.447 -4.520 -10.712 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -31.818 -8.130 -8.554 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -33.092 -6.043 -9.327 1.00 0.00 H new ATOM 424 N LYS A 28 -28.936 -5.103 -14.079 1.00 0.00 N ATOM 425 CA LYS A 28 -29.772 -4.593 -15.209 1.00 0.00 C ATOM 426 C LYS A 28 -29.637 -5.517 -16.425 1.00 0.00 C ATOM 427 O LYS A 28 -29.208 -5.104 -17.486 1.00 0.00 O ATOM 428 CB LYS A 28 -29.217 -3.202 -15.520 1.00 0.00 C ATOM 429 CG LYS A 28 -29.731 -2.203 -14.483 1.00 0.00 C ATOM 430 CD LYS A 28 -29.528 -0.778 -15.001 1.00 0.00 C ATOM 431 CE LYS A 28 -30.344 0.196 -14.148 1.00 0.00 C ATOM 432 NZ LYS A 28 -29.972 1.549 -14.649 1.00 0.00 N ATOM 0 H LYS A 28 -28.035 -4.639 -13.967 1.00 0.00 H new ATOM 0 HA LYS A 28 -30.832 -4.557 -14.956 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -28.127 -3.223 -15.511 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -29.521 -2.893 -16.520 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -30.788 -2.381 -14.283 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -29.201 -2.337 -13.540 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -28.471 -0.513 -14.964 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -29.837 -0.711 -16.044 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -31.413 0.015 -14.256 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -30.107 0.088 -13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -30.491 2.273 -14.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -28.950 1.695 -14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -30.215 1.625 -15.657 1.00 0.00 H new ATOM 446 N LYS A 29 -30.002 -6.762 -16.272 1.00 0.00 N ATOM 447 CA LYS A 29 -29.903 -7.727 -17.408 1.00 0.00 C ATOM 448 C LYS A 29 -30.943 -8.839 -17.244 1.00 0.00 C ATOM 449 O LYS A 29 -31.622 -9.211 -18.183 1.00 0.00 O ATOM 450 CB LYS A 29 -28.488 -8.300 -17.319 1.00 0.00 C ATOM 451 CG LYS A 29 -27.485 -7.273 -17.847 1.00 0.00 C ATOM 452 CD LYS A 29 -26.104 -7.921 -17.965 1.00 0.00 C ATOM 453 CE LYS A 29 -26.116 -8.945 -19.102 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.695 -9.358 -19.261 1.00 0.00 N ATOM 0 H LYS A 29 -30.367 -7.155 -15.404 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.090 -7.253 -18.372 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.253 -8.556 -16.286 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.420 -9.221 -17.898 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.808 -6.901 -18.819 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.440 -6.415 -17.176 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.348 -7.159 -18.156 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -25.837 -8.407 -17.027 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -26.750 -9.798 -18.859 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -26.506 -8.509 -20.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -24.621 -10.061 -20.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -24.116 -8.527 -19.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.353 -9.775 -18.372 1.00 0.00 H new ATOM 468 N LYS A 30 -31.070 -9.365 -16.054 1.00 0.00 N ATOM 469 CA LYS A 30 -32.067 -10.455 -15.808 1.00 0.00 C ATOM 470 C LYS A 30 -33.083 -10.015 -14.750 1.00 0.00 C ATOM 471 O LYS A 30 -33.599 -10.824 -14.004 1.00 0.00 O ATOM 472 CB LYS A 30 -31.266 -11.680 -15.322 1.00 0.00 C ATOM 473 CG LYS A 30 -30.219 -11.282 -14.273 1.00 0.00 C ATOM 474 CD LYS A 30 -29.830 -12.509 -13.448 1.00 0.00 C ATOM 475 CE LYS A 30 -28.847 -13.370 -14.245 1.00 0.00 C ATOM 476 NZ LYS A 30 -28.467 -14.475 -13.320 1.00 0.00 N ATOM 0 H LYS A 30 -30.525 -9.087 -15.238 1.00 0.00 H new ATOM 0 HA LYS A 30 -32.627 -10.692 -16.712 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.947 -12.417 -14.897 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.772 -12.154 -16.170 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -29.338 -10.866 -14.763 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.619 -10.505 -13.622 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -29.377 -12.199 -12.506 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -30.718 -13.089 -13.198 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -29.308 -13.757 -15.154 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -27.974 -12.793 -14.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.794 -15.109 -13.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -28.025 -14.077 -12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -29.317 -15.011 -13.052 1.00 0.00 H new ATOM 490 N HIS A 31 -33.380 -8.740 -14.694 1.00 0.00 N ATOM 491 CA HIS A 31 -34.371 -8.237 -13.693 1.00 0.00 C ATOM 492 C HIS A 31 -35.165 -7.058 -14.284 1.00 0.00 C ATOM 493 O HIS A 31 -35.131 -5.965 -13.752 1.00 0.00 O ATOM 494 CB HIS A 31 -33.536 -7.779 -12.492 1.00 0.00 C ATOM 495 CG HIS A 31 -32.758 -8.945 -11.948 1.00 0.00 C ATOM 496 ND1 HIS A 31 -33.373 -10.117 -11.538 1.00 0.00 N ATOM 497 CD2 HIS A 31 -31.413 -9.146 -11.768 1.00 0.00 C ATOM 498 CE1 HIS A 31 -32.407 -10.962 -11.140 1.00 0.00 C ATOM 499 NE2 HIS A 31 -31.194 -10.419 -11.256 1.00 0.00 N ATOM 0 H HIS A 31 -32.978 -8.025 -15.300 1.00 0.00 H new ATOM 0 HA HIS A 31 -35.096 -9.000 -13.410 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.855 -6.982 -12.792 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.186 -7.369 -11.719 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -30.641 -8.424 -11.991 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -32.590 -11.960 -10.771 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -30.298 -10.846 -11.020 1.00 0.00 H new ATOM 507 N PRO A 32 -35.862 -7.311 -15.373 1.00 0.00 N ATOM 508 CA PRO A 32 -36.660 -6.238 -16.019 1.00 0.00 C ATOM 509 C PRO A 32 -37.903 -5.916 -15.184 1.00 0.00 C ATOM 510 O PRO A 32 -38.200 -4.767 -14.916 1.00 0.00 O ATOM 511 CB PRO A 32 -37.052 -6.839 -17.366 1.00 0.00 C ATOM 512 CG PRO A 32 -37.013 -8.319 -17.157 1.00 0.00 C ATOM 513 CD PRO A 32 -35.977 -8.589 -16.098 1.00 0.00 C ATOM 0 HA PRO A 32 -36.111 -5.302 -16.120 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -38.045 -6.510 -17.671 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -36.360 -6.533 -18.151 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.989 -8.690 -16.844 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -36.759 -8.832 -18.084 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.286 -9.397 -15.435 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -35.025 -8.885 -16.538 1.00 0.00 H new ATOM 521 N ASP A 33 -38.629 -6.924 -14.775 1.00 0.00 N ATOM 522 CA ASP A 33 -39.857 -6.688 -13.958 1.00 0.00 C ATOM 523 C ASP A 33 -39.530 -6.799 -12.465 1.00 0.00 C ATOM 524 O ASP A 33 -40.083 -7.622 -11.758 1.00 0.00 O ATOM 525 CB ASP A 33 -40.831 -7.788 -14.382 1.00 0.00 C ATOM 526 CG ASP A 33 -42.256 -7.384 -14.003 1.00 0.00 C ATOM 527 OD1 ASP A 33 -42.721 -6.378 -14.513 1.00 0.00 O ATOM 528 OD2 ASP A 33 -42.860 -8.086 -13.207 1.00 0.00 O ATOM 0 H ASP A 33 -38.424 -7.903 -14.972 1.00 0.00 H new ATOM 0 HA ASP A 33 -40.274 -5.693 -14.115 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.763 -7.954 -15.457 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.567 -8.728 -13.897 1.00 0.00 H new ATOM 533 N SER A 34 -38.637 -5.973 -11.984 1.00 0.00 N ATOM 534 CA SER A 34 -38.265 -6.020 -10.538 1.00 0.00 C ATOM 535 C SER A 34 -37.795 -4.641 -10.067 1.00 0.00 C ATOM 536 O SER A 34 -38.100 -3.632 -10.674 1.00 0.00 O ATOM 537 CB SER A 34 -37.125 -7.034 -10.455 1.00 0.00 C ATOM 538 OG SER A 34 -36.956 -7.441 -9.105 1.00 0.00 O ATOM 0 H SER A 34 -38.148 -5.266 -12.532 1.00 0.00 H new ATOM 0 HA SER A 34 -39.106 -6.301 -9.904 1.00 0.00 H new ATOM 0 HB2 SER A 34 -37.345 -7.898 -11.082 1.00 0.00 H new ATOM 0 HB3 SER A 34 -36.202 -6.593 -10.832 1.00 0.00 H new ATOM 0 HG SER A 34 -36.226 -8.093 -9.049 1.00 0.00 H new ATOM 544 N SER A 35 -37.051 -4.596 -8.991 1.00 0.00 N ATOM 545 CA SER A 35 -36.552 -3.290 -8.471 1.00 0.00 C ATOM 546 C SER A 35 -35.268 -3.503 -7.665 1.00 0.00 C ATOM 547 O SER A 35 -34.972 -4.601 -7.235 1.00 0.00 O ATOM 548 CB SER A 35 -37.672 -2.766 -7.572 1.00 0.00 C ATOM 549 OG SER A 35 -38.766 -2.352 -8.378 1.00 0.00 O ATOM 0 H SER A 35 -36.767 -5.412 -8.449 1.00 0.00 H new ATOM 0 HA SER A 35 -36.314 -2.589 -9.271 1.00 0.00 H new ATOM 0 HB2 SER A 35 -37.991 -3.544 -6.878 1.00 0.00 H new ATOM 0 HB3 SER A 35 -37.311 -1.931 -6.971 1.00 0.00 H new ATOM 0 HG SER A 35 -38.606 -2.617 -9.308 1.00 0.00 H new ATOM 555 N VAL A 36 -34.505 -2.458 -7.461 1.00 0.00 N ATOM 556 CA VAL A 36 -33.236 -2.594 -6.685 1.00 0.00 C ATOM 557 C VAL A 36 -32.804 -1.234 -6.122 1.00 0.00 C ATOM 558 O VAL A 36 -31.805 -0.674 -6.532 1.00 0.00 O ATOM 559 CB VAL A 36 -32.209 -3.128 -7.693 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.041 -2.137 -8.850 1.00 0.00 C ATOM 561 CG2 VAL A 36 -30.861 -3.326 -6.996 1.00 0.00 C ATOM 0 H VAL A 36 -34.707 -1.517 -7.799 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.343 -3.260 -5.829 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.563 -4.081 -8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.310 -2.526 -9.559 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -32.998 -2.000 -9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.695 -1.179 -8.461 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.133 -3.705 -7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.514 -2.373 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -30.974 -4.041 -6.181 1.00 0.00 H new ATOM 571 N ASN A 37 -33.546 -0.707 -5.178 1.00 0.00 N ATOM 572 CA ASN A 37 -33.175 0.612 -4.576 1.00 0.00 C ATOM 573 C ASN A 37 -31.793 0.510 -3.927 1.00 0.00 C ATOM 574 O ASN A 37 -31.200 -0.554 -3.894 1.00 0.00 O ATOM 575 CB ASN A 37 -34.246 0.890 -3.517 1.00 0.00 C ATOM 576 CG ASN A 37 -34.242 2.378 -3.165 1.00 0.00 C ATOM 577 OD1 ASN A 37 -34.452 3.218 -4.017 1.00 0.00 O ATOM 578 ND2 ASN A 37 -34.009 2.742 -1.933 1.00 0.00 N ATOM 0 H ASN A 37 -34.392 -1.133 -4.799 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.129 1.409 -5.318 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -35.227 0.597 -3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -34.054 0.294 -2.625 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -34.003 3.732 -1.686 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -33.833 2.037 -1.218 1.00 0.00 H new ATOM 585 N PHE A 38 -31.270 1.597 -3.413 1.00 0.00 N ATOM 586 CA PHE A 38 -29.922 1.537 -2.775 1.00 0.00 C ATOM 587 C PHE A 38 -29.972 0.688 -1.510 1.00 0.00 C ATOM 588 O PHE A 38 -29.089 -0.091 -1.264 1.00 0.00 O ATOM 589 CB PHE A 38 -29.547 2.976 -2.429 1.00 0.00 C ATOM 590 CG PHE A 38 -29.436 3.783 -3.699 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.348 3.582 -4.556 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.417 4.728 -4.022 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.238 4.325 -5.736 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.307 5.472 -5.203 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.217 5.269 -6.060 1.00 0.00 C ATOM 0 H PHE A 38 -31.715 2.515 -3.408 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.189 1.085 -3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.300 3.412 -1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.601 2.997 -1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.592 2.852 -4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.257 4.883 -3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.398 4.170 -6.396 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.062 6.202 -5.453 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.133 5.842 -6.971 1.00 0.00 H new ATOM 605 N ALA A 39 -30.991 0.836 -0.703 1.00 0.00 N ATOM 606 CA ALA A 39 -31.065 0.025 0.553 1.00 0.00 C ATOM 607 C ALA A 39 -31.339 -1.439 0.234 1.00 0.00 C ATOM 608 O ALA A 39 -30.724 -2.323 0.800 1.00 0.00 O ATOM 609 CB ALA A 39 -32.209 0.631 1.367 1.00 0.00 C ATOM 0 H ALA A 39 -31.770 1.477 -0.856 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.125 0.050 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.319 0.084 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.989 1.677 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.136 0.565 0.797 1.00 0.00 H new ATOM 615 N GLU A 40 -32.241 -1.705 -0.669 1.00 0.00 N ATOM 616 CA GLU A 40 -32.531 -3.125 -1.025 1.00 0.00 C ATOM 617 C GLU A 40 -31.286 -3.783 -1.632 1.00 0.00 C ATOM 618 O GLU A 40 -31.203 -4.994 -1.720 1.00 0.00 O ATOM 619 CB GLU A 40 -33.668 -3.063 -2.048 1.00 0.00 C ATOM 620 CG GLU A 40 -34.925 -2.503 -1.381 1.00 0.00 C ATOM 621 CD GLU A 40 -35.656 -3.626 -0.643 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.194 -4.495 -1.311 1.00 0.00 O ATOM 623 OE2 GLU A 40 -35.666 -3.599 0.577 1.00 0.00 O ATOM 0 H GLU A 40 -32.787 -1.007 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 40 -32.809 -3.719 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.380 -2.434 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -33.867 -4.058 -2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -34.656 -1.710 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.580 -2.060 -2.131 1.00 0.00 H new ATOM 630 N PHE A 41 -30.315 -2.999 -2.053 1.00 0.00 N ATOM 631 CA PHE A 41 -29.085 -3.593 -2.651 1.00 0.00 C ATOM 632 C PHE A 41 -27.874 -3.366 -1.742 1.00 0.00 C ATOM 633 O PHE A 41 -27.081 -4.261 -1.517 1.00 0.00 O ATOM 634 CB PHE A 41 -28.907 -2.878 -3.991 1.00 0.00 C ATOM 635 CG PHE A 41 -28.080 -3.739 -4.914 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.558 -4.991 -5.319 1.00 0.00 C ATOM 637 CD2 PHE A 41 -26.835 -3.287 -5.366 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.793 -5.791 -6.175 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.068 -4.087 -6.223 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.548 -5.338 -6.627 1.00 0.00 C ATOM 0 H PHE A 41 -30.327 -1.980 -2.006 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.173 -4.672 -2.777 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -29.880 -2.675 -4.439 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.419 -1.915 -3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.519 -5.340 -4.970 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.465 -2.321 -5.054 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.163 -6.757 -6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.107 -3.739 -6.572 1.00 0.00 H new ATOM 0 HZ PHE A 41 -25.957 -5.955 -7.288 1.00 0.00 H new ATOM 650 N SER A 42 -27.733 -2.181 -1.210 1.00 0.00 N ATOM 651 CA SER A 42 -26.583 -1.882 -0.296 1.00 0.00 C ATOM 652 C SER A 42 -26.567 -2.879 0.870 1.00 0.00 C ATOM 653 O SER A 42 -25.543 -3.118 1.482 1.00 0.00 O ATOM 654 CB SER A 42 -26.834 -0.457 0.209 1.00 0.00 C ATOM 655 OG SER A 42 -27.979 -0.452 1.050 1.00 0.00 O ATOM 0 H SER A 42 -28.368 -1.399 -1.369 1.00 0.00 H new ATOM 0 HA SER A 42 -25.619 -1.966 -0.798 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.964 -0.095 0.757 1.00 0.00 H new ATOM 0 HB3 SER A 42 -26.984 0.218 -0.633 1.00 0.00 H new ATOM 0 HG SER A 42 -28.050 0.415 1.501 1.00 0.00 H new ATOM 661 N LYS A 43 -27.701 -3.469 1.173 1.00 0.00 N ATOM 662 CA LYS A 43 -27.772 -4.458 2.284 1.00 0.00 C ATOM 663 C LYS A 43 -27.410 -5.857 1.771 1.00 0.00 C ATOM 664 O LYS A 43 -26.949 -6.700 2.518 1.00 0.00 O ATOM 665 CB LYS A 43 -29.231 -4.422 2.742 1.00 0.00 C ATOM 666 CG LYS A 43 -29.360 -3.534 3.981 1.00 0.00 C ATOM 667 CD LYS A 43 -28.877 -4.303 5.213 1.00 0.00 C ATOM 668 CE LYS A 43 -28.324 -3.318 6.245 1.00 0.00 C ATOM 669 NZ LYS A 43 -29.521 -2.803 6.966 1.00 0.00 N ATOM 0 H LYS A 43 -28.584 -3.302 0.691 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.079 -4.226 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -29.864 -4.040 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.576 -5.431 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -28.772 -2.625 3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -30.397 -3.226 4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -29.699 -4.874 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -28.106 -5.019 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -27.632 -3.810 6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -27.775 -2.509 5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -29.222 -2.120 7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -30.158 -2.334 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -30.020 -3.595 7.420 1.00 0.00 H new ATOM 683 N LYS A 44 -27.628 -6.111 0.503 1.00 0.00 N ATOM 684 CA LYS A 44 -27.311 -7.457 -0.065 1.00 0.00 C ATOM 685 C LYS A 44 -25.834 -7.545 -0.461 1.00 0.00 C ATOM 686 O LYS A 44 -25.189 -8.554 -0.248 1.00 0.00 O ATOM 687 CB LYS A 44 -28.204 -7.583 -1.300 1.00 0.00 C ATOM 688 CG LYS A 44 -28.176 -9.027 -1.805 1.00 0.00 C ATOM 689 CD LYS A 44 -27.017 -9.203 -2.788 1.00 0.00 C ATOM 690 CE LYS A 44 -27.343 -10.334 -3.766 1.00 0.00 C ATOM 691 NZ LYS A 44 -26.518 -10.047 -4.973 1.00 0.00 N ATOM 0 H LYS A 44 -28.013 -5.442 -0.164 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.488 -8.256 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.225 -7.292 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.859 -6.906 -2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.063 -9.714 -0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.120 -9.271 -2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.845 -8.275 -3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.099 -9.430 -2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -27.096 -11.307 -3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.405 -10.352 -4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -26.686 -10.780 -5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -26.780 -9.118 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -25.511 -10.043 -4.712 1.00 0.00 H new ATOM 705 N CYS A 45 -25.295 -6.499 -1.040 1.00 0.00 N ATOM 706 CA CYS A 45 -23.856 -6.526 -1.457 1.00 0.00 C ATOM 707 C CYS A 45 -22.955 -6.811 -0.246 1.00 0.00 C ATOM 708 O CYS A 45 -21.899 -7.404 -0.372 1.00 0.00 O ATOM 709 CB CYS A 45 -23.575 -5.133 -2.044 1.00 0.00 C ATOM 710 SG CYS A 45 -23.837 -3.855 -0.784 1.00 0.00 S ATOM 0 H CYS A 45 -25.788 -5.629 -1.242 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.653 -7.311 -2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -22.550 -5.086 -2.412 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -24.229 -4.952 -2.897 1.00 0.00 H new ATOM 0 HG CYS A 45 -24.706 -4.276 0.087 1.00 0.00 H new ATOM 716 N SER A 46 -23.375 -6.395 0.922 1.00 0.00 N ATOM 717 CA SER A 46 -22.558 -6.643 2.150 1.00 0.00 C ATOM 718 C SER A 46 -22.593 -8.129 2.508 1.00 0.00 C ATOM 719 O SER A 46 -21.613 -8.689 2.958 1.00 0.00 O ATOM 720 CB SER A 46 -23.220 -5.810 3.249 1.00 0.00 C ATOM 721 OG SER A 46 -24.611 -6.104 3.287 1.00 0.00 O ATOM 0 H SER A 46 -24.249 -5.894 1.079 1.00 0.00 H new ATOM 0 HA SER A 46 -21.512 -6.370 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.763 -6.031 4.214 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.066 -4.748 3.059 1.00 0.00 H new ATOM 0 HG SER A 46 -25.038 -5.573 3.991 1.00 0.00 H new ATOM 727 N GLU A 47 -23.716 -8.770 2.301 1.00 0.00 N ATOM 728 CA GLU A 47 -23.823 -10.229 2.621 1.00 0.00 C ATOM 729 C GLU A 47 -22.789 -11.025 1.816 1.00 0.00 C ATOM 730 O GLU A 47 -22.378 -12.100 2.212 1.00 0.00 O ATOM 731 CB GLU A 47 -25.243 -10.630 2.211 1.00 0.00 C ATOM 732 CG GLU A 47 -26.251 -9.986 3.165 1.00 0.00 C ATOM 733 CD GLU A 47 -27.561 -10.777 3.132 1.00 0.00 C ATOM 734 OE1 GLU A 47 -28.219 -10.752 2.106 1.00 0.00 O ATOM 735 OE2 GLU A 47 -27.882 -11.395 4.134 1.00 0.00 O ATOM 0 H GLU A 47 -24.564 -8.347 1.924 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.633 -10.431 3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.441 -10.312 1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -25.347 -11.715 2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.849 -9.969 4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.431 -8.951 2.876 1.00 0.00 H new ATOM 742 N ARG A 48 -22.366 -10.502 0.691 1.00 0.00 N ATOM 743 CA ARG A 48 -21.358 -11.219 -0.143 1.00 0.00 C ATOM 744 C ARG A 48 -19.976 -10.585 0.043 1.00 0.00 C ATOM 745 O ARG A 48 -18.962 -11.254 -0.033 1.00 0.00 O ATOM 746 CB ARG A 48 -21.841 -11.041 -1.584 1.00 0.00 C ATOM 747 CG ARG A 48 -21.305 -12.184 -2.448 1.00 0.00 C ATOM 748 CD ARG A 48 -21.432 -11.810 -3.927 1.00 0.00 C ATOM 749 NE ARG A 48 -20.181 -11.068 -4.243 1.00 0.00 N ATOM 750 CZ ARG A 48 -19.684 -11.110 -5.449 1.00 0.00 C ATOM 751 NH1 ARG A 48 -20.257 -10.443 -6.414 1.00 0.00 N ATOM 752 NH2 ARG A 48 -18.616 -11.820 -5.690 1.00 0.00 N ATOM 0 H ARG A 48 -22.678 -9.606 0.315 1.00 0.00 H new ATOM 0 HA ARG A 48 -21.265 -12.270 0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.931 -11.028 -1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.500 -10.083 -1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.262 -12.383 -2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -21.861 -13.099 -2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -21.533 -12.697 -4.552 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -22.313 -11.193 -4.104 1.00 0.00 H new ATOM 0 HE ARG A 48 -19.712 -10.527 -3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -21.093 -9.889 -6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -19.869 -10.475 -7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.170 -12.342 -4.936 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.227 -11.853 -6.633 1.00 0.00 H new ATOM 766 N TRP A 49 -19.934 -9.300 0.289 1.00 0.00 N ATOM 767 CA TRP A 49 -18.620 -8.611 0.484 1.00 0.00 C ATOM 768 C TRP A 49 -18.010 -9.012 1.831 1.00 0.00 C ATOM 769 O TRP A 49 -16.804 -9.041 1.990 1.00 0.00 O ATOM 770 CB TRP A 49 -18.945 -7.114 0.464 1.00 0.00 C ATOM 771 CG TRP A 49 -17.681 -6.322 0.587 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.274 -5.680 1.706 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.657 -6.080 -0.420 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.066 -5.058 1.449 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.644 -5.274 0.153 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.510 -6.475 -1.762 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.525 -4.876 -0.579 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.385 -6.075 -2.501 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.394 -5.278 -1.912 1.00 0.00 C ATOM 0 H TRP A 49 -20.753 -8.697 0.363 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.896 -8.878 -0.286 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.459 -6.856 -0.462 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.621 -6.868 1.283 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -17.805 -5.657 2.646 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.550 -4.506 2.134 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.267 -7.090 -2.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.765 -4.262 -0.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.283 -6.384 -3.531 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.531 -4.975 -2.486 1.00 0.00 H new ATOM 790 N LYS A 50 -18.836 -9.321 2.798 1.00 0.00 N ATOM 791 CA LYS A 50 -18.310 -9.720 4.138 1.00 0.00 C ATOM 792 C LYS A 50 -17.705 -11.125 4.071 1.00 0.00 C ATOM 793 O LYS A 50 -16.814 -11.461 4.829 1.00 0.00 O ATOM 794 CB LYS A 50 -19.524 -9.701 5.070 1.00 0.00 C ATOM 795 CG LYS A 50 -19.564 -8.372 5.833 1.00 0.00 C ATOM 796 CD LYS A 50 -20.578 -7.430 5.177 1.00 0.00 C ATOM 797 CE LYS A 50 -20.704 -6.154 6.011 1.00 0.00 C ATOM 798 NZ LYS A 50 -19.538 -5.317 5.614 1.00 0.00 N ATOM 0 H LYS A 50 -19.853 -9.314 2.717 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.523 -9.051 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.440 -9.829 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.470 -10.534 5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.836 -8.547 6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.575 -7.913 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.260 -7.185 4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.548 -7.922 5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -21.645 -5.642 5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.685 -6.376 7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.091 -4.918 6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -18.848 -5.903 5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -19.860 -4.544 4.997 1.00 0.00 H new ATOM 812 N THR A 51 -18.179 -11.945 3.168 1.00 0.00 N ATOM 813 CA THR A 51 -17.632 -13.331 3.043 1.00 0.00 C ATOM 814 C THR A 51 -16.869 -13.510 1.718 1.00 0.00 C ATOM 815 O THR A 51 -16.415 -14.595 1.406 1.00 0.00 O ATOM 816 CB THR A 51 -18.859 -14.250 3.088 1.00 0.00 C ATOM 817 OG1 THR A 51 -18.438 -15.602 2.969 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.814 -13.910 1.939 1.00 0.00 C ATOM 0 H THR A 51 -18.923 -11.714 2.510 1.00 0.00 H new ATOM 0 HA THR A 51 -16.920 -13.556 3.837 1.00 0.00 H new ATOM 0 HB THR A 51 -19.378 -14.107 4.036 1.00 0.00 H new ATOM 0 HG1 THR A 51 -17.637 -15.647 2.407 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.682 -14.568 1.980 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.140 -12.874 2.031 1.00 0.00 H new ATOM 0 HG23 THR A 51 -19.301 -14.046 0.987 1.00 0.00 H new ATOM 826 N MET A 52 -16.723 -12.461 0.939 1.00 0.00 N ATOM 827 CA MET A 52 -15.989 -12.585 -0.359 1.00 0.00 C ATOM 828 C MET A 52 -14.546 -13.037 -0.115 1.00 0.00 C ATOM 829 O MET A 52 -14.189 -13.437 0.978 1.00 0.00 O ATOM 830 CB MET A 52 -16.021 -11.181 -0.979 1.00 0.00 C ATOM 831 CG MET A 52 -15.347 -10.173 -0.040 1.00 0.00 C ATOM 832 SD MET A 52 -13.594 -10.023 -0.466 1.00 0.00 S ATOM 833 CE MET A 52 -12.956 -9.894 1.222 1.00 0.00 C ATOM 0 H MET A 52 -17.080 -11.528 1.147 1.00 0.00 H new ATOM 0 HA MET A 52 -16.444 -13.326 -1.016 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.511 -11.189 -1.942 1.00 0.00 H new ATOM 0 HB3 MET A 52 -17.052 -10.882 -1.167 1.00 0.00 H new ATOM 0 HG2 MET A 52 -15.836 -9.202 -0.121 1.00 0.00 H new ATOM 0 HG3 MET A 52 -15.453 -10.498 0.995 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.874 -10.024 1.213 1.00 0.00 H new ATOM 0 HE2 MET A 52 -13.201 -8.913 1.629 1.00 0.00 H new ATOM 0 HE3 MET A 52 -13.409 -10.668 1.842 1.00 0.00 H new ATOM 843 N SER A 53 -13.718 -12.972 -1.125 1.00 0.00 N ATOM 844 CA SER A 53 -12.294 -13.392 -0.963 1.00 0.00 C ATOM 845 C SER A 53 -11.356 -12.291 -1.468 1.00 0.00 C ATOM 846 O SER A 53 -11.706 -11.517 -2.338 1.00 0.00 O ATOM 847 CB SER A 53 -12.152 -14.650 -1.818 1.00 0.00 C ATOM 848 OG SER A 53 -12.854 -15.720 -1.199 1.00 0.00 O ATOM 0 H SER A 53 -13.968 -12.645 -2.058 1.00 0.00 H new ATOM 0 HA SER A 53 -12.035 -13.576 0.080 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.547 -14.471 -2.818 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.099 -14.909 -1.933 1.00 0.00 H new ATOM 0 HG SER A 53 -12.766 -16.528 -1.746 1.00 0.00 H new ATOM 854 N ALA A 54 -10.167 -12.220 -0.924 1.00 0.00 N ATOM 855 CA ALA A 54 -9.184 -11.172 -1.358 1.00 0.00 C ATOM 856 C ALA A 54 -9.012 -11.179 -2.883 1.00 0.00 C ATOM 857 O ALA A 54 -8.670 -10.177 -3.481 1.00 0.00 O ATOM 858 CB ALA A 54 -7.869 -11.550 -0.676 1.00 0.00 C ATOM 0 H ALA A 54 -9.830 -12.846 -0.193 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.518 -10.171 -1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.098 -10.828 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.006 -11.547 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.564 -12.545 -1.001 1.00 0.00 H new ATOM 864 N LYS A 55 -9.251 -12.304 -3.511 1.00 0.00 N ATOM 865 CA LYS A 55 -9.107 -12.384 -4.996 1.00 0.00 C ATOM 866 C LYS A 55 -10.308 -11.722 -5.677 1.00 0.00 C ATOM 867 O LYS A 55 -10.199 -11.192 -6.767 1.00 0.00 O ATOM 868 CB LYS A 55 -9.064 -13.879 -5.315 1.00 0.00 C ATOM 869 CG LYS A 55 -7.667 -14.425 -5.019 1.00 0.00 C ATOM 870 CD LYS A 55 -7.542 -15.843 -5.579 1.00 0.00 C ATOM 871 CE LYS A 55 -8.287 -16.820 -4.667 1.00 0.00 C ATOM 872 NZ LYS A 55 -7.668 -18.147 -4.939 1.00 0.00 N ATOM 0 H LYS A 55 -9.540 -13.171 -3.058 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.215 -11.869 -5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.807 -14.410 -4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.316 -14.045 -6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.911 -13.779 -5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.488 -14.430 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.954 -15.885 -6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.492 -16.125 -5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.180 -16.542 -3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.355 -16.830 -4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.126 -18.871 -4.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.791 -18.388 -5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.653 -18.109 -4.714 1.00 0.00 H new ATOM 886 N GLU A 56 -11.450 -11.751 -5.040 1.00 0.00 N ATOM 887 CA GLU A 56 -12.666 -11.125 -5.640 1.00 0.00 C ATOM 888 C GLU A 56 -12.655 -9.613 -5.400 1.00 0.00 C ATOM 889 O GLU A 56 -13.199 -8.850 -6.177 1.00 0.00 O ATOM 890 CB GLU A 56 -13.847 -11.774 -4.917 1.00 0.00 C ATOM 891 CG GLU A 56 -14.043 -13.199 -5.436 1.00 0.00 C ATOM 892 CD GLU A 56 -15.431 -13.703 -5.036 1.00 0.00 C ATOM 893 OE1 GLU A 56 -15.686 -13.797 -3.846 1.00 0.00 O ATOM 894 OE2 GLU A 56 -16.216 -13.985 -5.926 1.00 0.00 O ATOM 0 H GLU A 56 -11.593 -12.183 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.717 -11.276 -6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.665 -11.789 -3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.752 -11.189 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.936 -13.220 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.275 -13.855 -5.027 1.00 0.00 H new ATOM 901 N LYS A 57 -12.039 -9.179 -4.330 1.00 0.00 N ATOM 902 CA LYS A 57 -11.986 -7.716 -4.031 1.00 0.00 C ATOM 903 C LYS A 57 -10.659 -7.100 -4.508 1.00 0.00 C ATOM 904 O LYS A 57 -10.401 -5.932 -4.285 1.00 0.00 O ATOM 905 CB LYS A 57 -12.119 -7.616 -2.506 1.00 0.00 C ATOM 906 CG LYS A 57 -10.957 -8.341 -1.819 1.00 0.00 C ATOM 907 CD LYS A 57 -10.864 -7.888 -0.361 1.00 0.00 C ATOM 908 CE LYS A 57 -10.234 -6.495 -0.297 1.00 0.00 C ATOM 909 NZ LYS A 57 -10.543 -5.998 1.073 1.00 0.00 N ATOM 0 H LYS A 57 -11.570 -9.776 -3.649 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.775 -7.169 -4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.132 -6.569 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.066 -8.051 -2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.108 -9.419 -1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.023 -8.126 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.857 -7.871 0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.266 -8.596 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.158 -6.539 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.651 -5.837 -1.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.086 -5.075 1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.572 -5.896 1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.186 -6.676 1.777 1.00 0.00 H new ATOM 923 N SER A 58 -9.817 -7.869 -5.162 1.00 0.00 N ATOM 924 CA SER A 58 -8.514 -7.316 -5.646 1.00 0.00 C ATOM 925 C SER A 58 -8.761 -6.254 -6.721 1.00 0.00 C ATOM 926 O SER A 58 -7.983 -5.331 -6.883 1.00 0.00 O ATOM 927 CB SER A 58 -7.761 -8.508 -6.236 1.00 0.00 C ATOM 928 OG SER A 58 -8.540 -9.090 -7.273 1.00 0.00 O ATOM 0 H SER A 58 -9.977 -8.852 -5.380 1.00 0.00 H new ATOM 0 HA SER A 58 -7.949 -6.839 -4.845 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.796 -8.186 -6.628 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.559 -9.246 -5.459 1.00 0.00 H new ATOM 0 HG SER A 58 -9.009 -9.878 -6.927 1.00 0.00 H new ATOM 934 N LYS A 59 -9.839 -6.378 -7.454 1.00 0.00 N ATOM 935 CA LYS A 59 -10.146 -5.379 -8.521 1.00 0.00 C ATOM 936 C LYS A 59 -10.732 -4.108 -7.899 1.00 0.00 C ATOM 937 O LYS A 59 -10.571 -3.021 -8.421 1.00 0.00 O ATOM 938 CB LYS A 59 -11.175 -6.060 -9.423 1.00 0.00 C ATOM 939 CG LYS A 59 -11.433 -5.190 -10.654 1.00 0.00 C ATOM 940 CD LYS A 59 -12.838 -5.467 -11.191 1.00 0.00 C ATOM 941 CE LYS A 59 -13.072 -4.644 -12.461 1.00 0.00 C ATOM 942 NZ LYS A 59 -12.577 -5.504 -13.572 1.00 0.00 N ATOM 0 H LYS A 59 -10.521 -7.130 -7.359 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.256 -5.081 -9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.813 -7.042 -9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.104 -6.219 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.333 -4.136 -10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.690 -5.401 -11.423 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.953 -6.529 -11.407 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.583 -5.212 -10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.128 -4.404 -12.587 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.532 -3.698 -12.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.703 -5.008 -14.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.568 -5.710 -13.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.114 -6.395 -13.587 1.00 0.00 H new ATOM 956 N PHE A 60 -11.411 -4.241 -6.788 1.00 0.00 N ATOM 957 CA PHE A 60 -12.013 -3.048 -6.124 1.00 0.00 C ATOM 958 C PHE A 60 -10.979 -2.371 -5.218 1.00 0.00 C ATOM 959 O PHE A 60 -11.006 -1.170 -5.023 1.00 0.00 O ATOM 960 CB PHE A 60 -13.172 -3.599 -5.293 1.00 0.00 C ATOM 961 CG PHE A 60 -14.304 -3.998 -6.210 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.052 -3.013 -6.865 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.604 -5.351 -6.404 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.101 -3.383 -7.716 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.654 -5.720 -7.254 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.402 -4.736 -7.910 1.00 0.00 C ATOM 0 H PHE A 60 -11.574 -5.128 -6.312 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.347 -2.300 -6.843 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.840 -4.459 -4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.514 -2.847 -4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.821 -1.969 -6.714 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.026 -6.110 -5.898 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.678 -2.624 -8.223 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.886 -6.764 -7.403 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.211 -5.021 -8.566 1.00 0.00 H new ATOM 976 N GLU A 61 -10.069 -3.135 -4.670 1.00 0.00 N ATOM 977 CA GLU A 61 -9.026 -2.544 -3.776 1.00 0.00 C ATOM 978 C GLU A 61 -8.037 -1.713 -4.598 1.00 0.00 C ATOM 979 O GLU A 61 -7.463 -0.756 -4.111 1.00 0.00 O ATOM 980 CB GLU A 61 -8.318 -3.740 -3.135 1.00 0.00 C ATOM 981 CG GLU A 61 -7.598 -3.287 -1.863 1.00 0.00 C ATOM 982 CD GLU A 61 -8.616 -3.111 -0.735 1.00 0.00 C ATOM 983 OE1 GLU A 61 -8.895 -4.086 -0.058 1.00 0.00 O ATOM 984 OE2 GLU A 61 -9.100 -2.004 -0.569 1.00 0.00 O ATOM 0 H GLU A 61 -10.003 -4.144 -4.803 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.456 -1.880 -3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.042 -4.520 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.603 -4.171 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.846 -4.022 -1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.074 -2.349 -2.044 1.00 0.00 H new ATOM 991 N ASP A 62 -7.838 -2.073 -5.841 1.00 0.00 N ATOM 992 CA ASP A 62 -6.888 -1.310 -6.705 1.00 0.00 C ATOM 993 C ASP A 62 -7.591 -0.098 -7.323 1.00 0.00 C ATOM 994 O ASP A 62 -6.971 0.908 -7.612 1.00 0.00 O ATOM 995 CB ASP A 62 -6.463 -2.297 -7.791 1.00 0.00 C ATOM 996 CG ASP A 62 -5.196 -1.785 -8.480 1.00 0.00 C ATOM 997 OD1 ASP A 62 -5.241 -0.695 -9.024 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.203 -2.492 -8.450 1.00 0.00 O ATOM 0 H ASP A 62 -8.294 -2.864 -6.295 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.034 -0.928 -6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.280 -3.279 -7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.263 -2.417 -8.521 1.00 0.00 H new ATOM 1003 N MET A 63 -8.881 -0.190 -7.525 1.00 0.00 N ATOM 1004 CA MET A 63 -9.634 0.954 -8.125 1.00 0.00 C ATOM 1005 C MET A 63 -9.876 2.038 -7.072 1.00 0.00 C ATOM 1006 O MET A 63 -9.980 3.208 -7.386 1.00 0.00 O ATOM 1007 CB MET A 63 -10.963 0.357 -8.595 1.00 0.00 C ATOM 1008 CG MET A 63 -10.733 -0.462 -9.866 1.00 0.00 C ATOM 1009 SD MET A 63 -10.575 0.654 -11.282 1.00 0.00 S ATOM 1010 CE MET A 63 -12.305 1.177 -11.354 1.00 0.00 C ATOM 0 H MET A 63 -9.446 -1.009 -7.300 1.00 0.00 H new ATOM 0 HA MET A 63 -9.087 1.422 -8.944 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.386 -0.275 -7.814 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.683 1.152 -8.787 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.832 -1.067 -9.764 1.00 0.00 H new ATOM 0 HG3 MET A 63 -11.563 -1.151 -10.023 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.602 1.311 -12.394 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.935 0.417 -10.892 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.423 2.119 -10.819 1.00 0.00 H new ATOM 1020 N ALA A 64 -9.966 1.653 -5.823 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.200 2.656 -4.740 1.00 0.00 C ATOM 1022 C ALA A 64 -8.890 3.360 -4.379 1.00 0.00 C ATOM 1023 O ALA A 64 -8.885 4.501 -3.955 1.00 0.00 O ATOM 1024 CB ALA A 64 -10.719 1.846 -3.551 1.00 0.00 C ATOM 0 H ALA A 64 -9.887 0.686 -5.507 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.904 3.431 -5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.915 2.515 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.641 1.337 -3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.972 1.108 -3.259 1.00 0.00 H new ATOM 1030 N LYS A 65 -7.780 2.687 -4.546 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.462 3.309 -4.217 1.00 0.00 C ATOM 1032 C LYS A 65 -5.999 4.208 -5.366 1.00 0.00 C ATOM 1033 O LYS A 65 -5.287 5.173 -5.161 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.501 2.133 -4.035 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.212 2.623 -3.372 1.00 0.00 C ATOM 1036 CD LYS A 65 -4.435 2.764 -1.865 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.100 3.050 -1.175 1.00 0.00 C ATOM 1038 NZ LYS A 65 -3.467 3.622 0.150 1.00 0.00 N ATOM 0 H LYS A 65 -7.730 1.731 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.513 3.934 -3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.967 1.361 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.276 1.681 -5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.401 1.921 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.913 3.581 -3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.140 3.571 -1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.875 1.850 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.511 2.140 -1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.498 3.750 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.602 3.844 0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.022 4.491 0.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.034 2.931 0.682 1.00 0.00 H new ATOM 1052 N SER A 66 -6.401 3.896 -6.573 1.00 0.00 N ATOM 1053 CA SER A 66 -5.988 4.730 -7.744 1.00 0.00 C ATOM 1054 C SER A 66 -6.767 6.048 -7.753 1.00 0.00 C ATOM 1055 O SER A 66 -6.280 7.062 -8.218 1.00 0.00 O ATOM 1056 CB SER A 66 -6.337 3.894 -8.975 1.00 0.00 C ATOM 1057 OG SER A 66 -5.783 4.508 -10.131 1.00 0.00 O ATOM 0 H SER A 66 -6.997 3.100 -6.798 1.00 0.00 H new ATOM 0 HA SER A 66 -4.929 4.985 -7.714 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.947 2.882 -8.864 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.419 3.810 -9.077 1.00 0.00 H new ATOM 0 HG SER A 66 -6.003 3.974 -10.923 1.00 0.00 H new ATOM 1063 N ASP A 67 -7.971 6.038 -7.240 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.790 7.286 -7.212 1.00 0.00 C ATOM 1065 C ASP A 67 -8.439 8.121 -5.977 1.00 0.00 C ATOM 1066 O ASP A 67 -8.501 9.337 -6.001 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.240 6.807 -7.139 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.656 6.235 -8.496 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.029 5.285 -8.933 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.597 6.756 -9.073 1.00 0.00 O ATOM 0 H ASP A 67 -8.423 5.216 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.612 7.916 -8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.345 6.047 -6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.894 7.634 -6.865 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.068 7.474 -4.901 1.00 0.00 N ATOM 1076 CA LYS A 68 -7.709 8.222 -3.657 1.00 0.00 C ATOM 1077 C LYS A 68 -6.439 9.048 -3.884 1.00 0.00 C ATOM 1078 O LYS A 68 -6.242 10.078 -3.268 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.465 7.147 -2.596 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.888 7.676 -1.224 1.00 0.00 C ATOM 1081 CD LYS A 68 -6.858 8.694 -0.730 1.00 0.00 C ATOM 1082 CE LYS A 68 -6.976 8.845 0.789 1.00 0.00 C ATOM 1083 NZ LYS A 68 -6.221 7.690 1.349 1.00 0.00 N ATOM 0 H LYS A 68 -7.998 6.459 -4.830 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.493 8.917 -3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.029 6.246 -2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.411 6.869 -2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.872 8.141 -1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.971 6.853 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.853 8.368 -0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.021 9.656 -1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.555 9.793 1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.018 8.828 1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.847 7.941 2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.855 6.871 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.433 7.450 0.715 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.580 8.600 -4.764 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.318 9.355 -5.039 1.00 0.00 C ATOM 1099 C ALA A 69 -4.633 10.666 -5.763 1.00 0.00 C ATOM 1100 O ALA A 69 -3.920 11.644 -5.632 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.484 8.436 -5.932 1.00 0.00 C ATOM 0 H ALA A 69 -5.697 7.743 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.789 9.616 -4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.540 8.924 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.284 7.502 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.032 8.226 -6.851 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.696 10.691 -6.526 1.00 0.00 N ATOM 1108 CA ARG A 70 -6.065 11.939 -7.265 1.00 0.00 C ATOM 1109 C ARG A 70 -6.452 13.042 -6.276 1.00 0.00 C ATOM 1110 O ARG A 70 -6.255 14.214 -6.534 1.00 0.00 O ATOM 1111 CB ARG A 70 -7.266 11.554 -8.133 1.00 0.00 C ATOM 1112 CG ARG A 70 -7.571 12.689 -9.112 1.00 0.00 C ATOM 1113 CD ARG A 70 -8.743 12.288 -10.010 1.00 0.00 C ATOM 1114 NE ARG A 70 -8.601 13.132 -11.228 1.00 0.00 N ATOM 1115 CZ ARG A 70 -8.149 12.609 -12.335 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -6.865 12.579 -12.566 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -8.982 12.117 -13.212 1.00 0.00 N ATOM 0 H ARG A 70 -6.325 9.901 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.238 12.321 -7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.054 10.635 -8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.135 11.358 -7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.814 13.600 -8.565 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.692 12.906 -9.719 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.705 11.227 -10.258 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.698 12.466 -9.516 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.857 14.119 -11.197 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.215 12.964 -11.881 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.512 12.170 -13.431 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.986 12.142 -13.032 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.629 11.708 -14.077 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.000 12.671 -5.147 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.403 13.693 -4.132 1.00 0.00 C ATOM 1133 C TYR A 71 -6.168 14.412 -3.580 1.00 0.00 C ATOM 1134 O TYR A 71 -6.247 15.543 -3.137 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.104 12.906 -3.022 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.864 13.857 -2.130 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -10.128 14.320 -2.515 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -8.304 14.278 -0.918 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -10.833 15.202 -1.688 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -9.009 15.161 -0.091 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.273 15.622 -0.476 1.00 0.00 C ATOM 1142 OH TYR A 71 -10.967 16.492 0.340 1.00 0.00 O ATOM 0 H TYR A 71 -7.186 11.703 -4.883 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.052 14.458 -4.559 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.786 12.175 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.371 12.350 -2.437 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.559 13.996 -3.451 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.329 13.922 -0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.808 15.558 -1.985 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -8.577 15.486 0.844 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.437 16.681 1.142 1.00 0.00 H new ATOM 1152 N ASP A 72 -5.030 13.763 -3.603 1.00 0.00 N ATOM 1153 CA ASP A 72 -3.784 14.405 -3.078 1.00 0.00 C ATOM 1154 C ASP A 72 -3.471 15.681 -3.865 1.00 0.00 C ATOM 1155 O ASP A 72 -3.016 16.664 -3.311 1.00 0.00 O ATOM 1156 CB ASP A 72 -2.677 13.367 -3.282 1.00 0.00 C ATOM 1157 CG ASP A 72 -1.449 13.762 -2.461 1.00 0.00 C ATOM 1158 OD1 ASP A 72 -1.437 13.477 -1.274 1.00 0.00 O ATOM 1159 OD2 ASP A 72 -0.540 14.343 -3.032 1.00 0.00 O ATOM 0 H ASP A 72 -4.910 12.816 -3.963 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.884 14.692 -2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.028 12.381 -2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.416 13.301 -4.338 1.00 0.00 H new ATOM 1164 N ARG A 73 -3.712 15.669 -5.151 1.00 0.00 N ATOM 1165 CA ARG A 73 -3.431 16.878 -5.983 1.00 0.00 C ATOM 1166 C ARG A 73 -4.726 17.400 -6.612 1.00 0.00 C ATOM 1167 O ARG A 73 -4.805 17.608 -7.808 1.00 0.00 O ATOM 1168 CB ARG A 73 -2.462 16.397 -7.064 1.00 0.00 C ATOM 1169 CG ARG A 73 -1.026 16.502 -6.547 1.00 0.00 C ATOM 1170 CD ARG A 73 -0.083 15.768 -7.502 1.00 0.00 C ATOM 1171 NE ARG A 73 -0.294 14.322 -7.214 1.00 0.00 N ATOM 1172 CZ ARG A 73 -0.566 13.496 -8.186 1.00 0.00 C ATOM 1173 NH1 ARG A 73 0.307 13.294 -9.136 1.00 0.00 N ATOM 1174 NH2 ARG A 73 -1.712 12.872 -8.209 1.00 0.00 N ATOM 0 H ARG A 73 -4.092 14.872 -5.662 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.013 17.696 -5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.687 15.366 -7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.580 16.998 -7.966 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.734 17.549 -6.464 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.956 16.072 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.313 16.001 -8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.954 16.057 -7.333 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.226 13.978 -6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.202 13.782 -9.118 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.094 12.648 -9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.394 13.031 -7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.926 12.226 -8.969 1.00 0.00 H new ATOM 1188 N GLU A 74 -5.739 17.613 -5.812 1.00 0.00 N ATOM 1189 CA GLU A 74 -7.035 18.124 -6.353 1.00 0.00 C ATOM 1190 C GLU A 74 -7.155 19.629 -6.103 1.00 0.00 C ATOM 1191 O GLU A 74 -7.469 20.391 -6.999 1.00 0.00 O ATOM 1192 CB GLU A 74 -8.113 17.364 -5.580 1.00 0.00 C ATOM 1193 CG GLU A 74 -9.474 17.595 -6.241 1.00 0.00 C ATOM 1194 CD GLU A 74 -10.442 16.488 -5.820 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -10.547 16.241 -4.629 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -11.063 15.907 -6.695 1.00 0.00 O ATOM 0 H GLU A 74 -5.725 17.455 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.122 17.973 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.881 16.299 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.138 17.701 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.870 18.568 -5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.366 17.605 -7.326 1.00 0.00 H new ATOM 1203 N MET A 75 -6.908 20.061 -4.893 1.00 0.00 N ATOM 1204 CA MET A 75 -7.005 21.517 -4.576 1.00 0.00 C ATOM 1205 C MET A 75 -5.613 22.095 -4.308 1.00 0.00 C ATOM 1206 O MET A 75 -5.439 22.943 -3.454 1.00 0.00 O ATOM 1207 CB MET A 75 -7.867 21.590 -3.314 1.00 0.00 C ATOM 1208 CG MET A 75 -9.334 21.360 -3.684 1.00 0.00 C ATOM 1209 SD MET A 75 -10.021 22.875 -4.397 1.00 0.00 S ATOM 1210 CE MET A 75 -11.551 22.151 -5.035 1.00 0.00 C ATOM 0 H MET A 75 -6.642 19.466 -4.108 1.00 0.00 H new ATOM 0 HA MET A 75 -7.434 22.091 -5.398 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.541 20.840 -2.594 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.750 22.563 -2.836 1.00 0.00 H new ATOM 0 HG2 MET A 75 -9.416 20.540 -4.397 1.00 0.00 H new ATOM 0 HG3 MET A 75 -9.902 21.071 -2.800 1.00 0.00 H new ATOM 0 HE1 MET A 75 -12.142 22.924 -5.526 1.00 0.00 H new ATOM 0 HE2 MET A 75 -11.311 21.367 -5.753 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.123 21.725 -4.211 1.00 0.00 H new ATOM 1220 N LYS A 76 -4.623 21.639 -5.034 1.00 0.00 N ATOM 1221 CA LYS A 76 -3.237 22.156 -4.830 1.00 0.00 C ATOM 1222 C LYS A 76 -2.898 23.198 -5.900 1.00 0.00 C ATOM 1223 O LYS A 76 -2.258 24.195 -5.625 1.00 0.00 O ATOM 1224 CB LYS A 76 -2.333 20.930 -4.969 1.00 0.00 C ATOM 1225 CG LYS A 76 -2.441 20.071 -3.708 1.00 0.00 C ATOM 1226 CD LYS A 76 -1.655 20.728 -2.572 1.00 0.00 C ATOM 1227 CE LYS A 76 -1.759 19.866 -1.312 1.00 0.00 C ATOM 1228 NZ LYS A 76 -0.705 20.390 -0.399 1.00 0.00 N ATOM 0 H LYS A 76 -4.716 20.929 -5.761 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.116 22.644 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.623 20.348 -5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.300 21.242 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.487 19.957 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.052 19.071 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.610 20.846 -2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.046 21.726 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.748 19.945 -0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.596 18.813 -1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.714 19.848 0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.226 20.295 -0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.890 21.393 -0.194 1.00 0.00 H new ATOM 1242 N ASN A 77 -3.323 22.969 -7.117 1.00 0.00 N ATOM 1243 CA ASN A 77 -3.030 23.941 -8.213 1.00 0.00 C ATOM 1244 C ASN A 77 -4.127 23.882 -9.279 1.00 0.00 C ATOM 1245 O ASN A 77 -4.600 24.934 -9.674 1.00 0.00 O ATOM 1246 CB ASN A 77 -1.691 23.488 -8.797 1.00 0.00 C ATOM 1247 CG ASN A 77 -1.092 24.616 -9.638 1.00 0.00 C ATOM 1248 OD1 ASN A 77 -1.400 24.748 -10.805 1.00 0.00 O ATOM 1249 ND2 ASN A 77 -0.243 25.442 -9.090 1.00 0.00 N ATOM 1250 OXT ASN A 77 -4.476 22.784 -9.682 1.00 0.00 O ATOM 0 H ASN A 77 -3.861 22.150 -7.399 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.991 24.969 -7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.006 23.216 -7.994 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.832 22.598 -9.411 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.162 26.198 -9.642 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.016 25.331 -8.110 1.00 0.00 H new TER 1257 ASN A 77