USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 725 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 51 ASN : amide:sc= -0.0863 K(o=-0.16,f=0.65) USER MOD Set 1.2: A 55 TYR OH : rot 150:sc= -0.0725 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0136 (180deg=-0.513) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00303 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -66:sc= 0.548 USER MOD Single : A 12 TYR OH : rot 150:sc= -0.108 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 30:sc= -0.319 USER MOD Single : A 22 MET CE :methyl 143:sc= -0.572 (180deg=-3.93!) USER MOD Single : A 23 THR OG1 : rot 65:sc= -1.51! USER MOD Single : A 24 THR OG1 : rot -110:sc= -0.222 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -111:sc= 1.71 (180deg=-0.122) USER MOD Single : A 36 THR OG1 : rot 170:sc=-0.00455 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.528 X(o=-0.53,f=-0.11) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -48:sc= 1.21 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.735 USER MOD Single : A 58 ASN : amide:sc= -0.502 K(o=-0.5,f=-4.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 175:sc= 0 (180deg=-0.0116) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.46) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0383 K(o=-0.038,f=-1.4!) USER MOD Single : A 74 GLN : amide:sc= -0.793 K(o=-0.79,f=-2.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 150:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0924 X(o=-0.092,f=-0.086) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.69 K(o=-0.69,f=-4.2!) USER MOD Single : A 85 THR OG1 : rot -101:sc= 0.933 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -31.266 -3.336 8.880 1.00 0.00 N ATOM 2 CA MET A 1 -31.905 -3.174 7.548 1.00 0.00 C ATOM 3 C MET A 1 -33.389 -3.534 7.599 1.00 0.00 C ATOM 4 O MET A 1 -33.761 -4.694 7.431 1.00 0.00 O ATOM 5 CB MET A 1 -31.179 -4.076 6.547 1.00 0.00 C ATOM 6 CG MET A 1 -31.270 -3.587 5.111 1.00 0.00 C ATOM 7 SD MET A 1 -29.824 -2.633 4.609 1.00 0.00 S ATOM 8 CE MET A 1 -30.347 -0.974 5.038 1.00 0.00 C ATOM 0 H1 MET A 1 -30.259 -3.085 8.815 1.00 0.00 H new ATOM 0 H2 MET A 1 -31.735 -2.713 9.568 1.00 0.00 H new ATOM 0 H3 MET A 1 -31.357 -4.324 9.191 1.00 0.00 H new ATOM 0 HA MET A 1 -31.830 -2.131 7.240 1.00 0.00 H new ATOM 0 HB2 MET A 1 -30.129 -4.149 6.831 1.00 0.00 H new ATOM 0 HB3 MET A 1 -31.596 -5.081 6.607 1.00 0.00 H new ATOM 0 HG2 MET A 1 -31.384 -4.443 4.446 1.00 0.00 H new ATOM 0 HG3 MET A 1 -32.163 -2.973 4.996 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.702 -0.249 4.541 1.00 0.00 H new ATOM 0 HE2 MET A 1 -31.378 -0.823 4.717 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.280 -0.839 6.118 1.00 0.00 H new ATOM 20 N PRO A 2 -34.260 -2.536 7.833 1.00 0.00 N ATOM 21 CA PRO A 2 -35.710 -2.755 7.905 1.00 0.00 C ATOM 22 C PRO A 2 -36.309 -3.119 6.552 1.00 0.00 C ATOM 23 O PRO A 2 -37.241 -3.918 6.469 1.00 0.00 O ATOM 24 CB PRO A 2 -36.251 -1.407 8.385 1.00 0.00 C ATOM 25 CG PRO A 2 -35.228 -0.413 7.960 1.00 0.00 C ATOM 26 CD PRO A 2 -33.904 -1.120 8.045 1.00 0.00 C ATOM 0 HA PRO A 2 -35.963 -3.588 8.561 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -37.222 -1.190 7.940 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -36.386 -1.398 9.467 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -35.420 -0.065 6.945 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -35.244 0.464 8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -33.208 -0.762 7.286 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -33.427 -0.966 9.013 1.00 0.00 H new ATOM 34 N SER A 3 -35.766 -2.527 5.492 1.00 0.00 N ATOM 35 CA SER A 3 -36.248 -2.791 4.142 1.00 0.00 C ATOM 36 C SER A 3 -35.114 -2.682 3.125 1.00 0.00 C ATOM 37 O SER A 3 -34.617 -1.591 2.850 1.00 0.00 O ATOM 38 CB SER A 3 -37.368 -1.814 3.777 1.00 0.00 C ATOM 39 OG SER A 3 -38.377 -2.454 3.015 1.00 0.00 O ATOM 0 H SER A 3 -34.994 -1.863 5.543 1.00 0.00 H new ATOM 0 HA SER A 3 -36.638 -3.809 4.117 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.803 -1.399 4.686 1.00 0.00 H new ATOM 0 HB3 SER A 3 -36.956 -0.979 3.211 1.00 0.00 H new ATOM 0 HG SER A 3 -39.081 -1.808 2.797 1.00 0.00 H new ATOM 45 N ASP A 4 -34.711 -3.822 2.574 1.00 0.00 N ATOM 46 CA ASP A 4 -33.636 -3.857 1.589 1.00 0.00 C ATOM 47 C ASP A 4 -34.199 -3.825 0.170 1.00 0.00 C ATOM 48 O ASP A 4 -35.406 -3.681 -0.026 1.00 0.00 O ATOM 49 CB ASP A 4 -32.778 -5.109 1.783 1.00 0.00 C ATOM 50 CG ASP A 4 -33.572 -6.387 1.603 1.00 0.00 C ATOM 51 OD1 ASP A 4 -34.473 -6.648 2.427 1.00 0.00 O ATOM 52 OD2 ASP A 4 -33.291 -7.129 0.638 1.00 0.00 O ATOM 0 H ASP A 4 -35.112 -4.734 2.793 1.00 0.00 H new ATOM 0 HA ASP A 4 -33.014 -2.974 1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -31.952 -5.094 1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -32.339 -5.094 2.781 1.00 0.00 H new ATOM 57 N SER A 5 -33.317 -3.960 -0.814 1.00 0.00 N ATOM 58 CA SER A 5 -33.729 -3.945 -2.213 1.00 0.00 C ATOM 59 C SER A 5 -32.588 -4.395 -3.122 1.00 0.00 C ATOM 60 O SER A 5 -32.793 -5.169 -4.055 1.00 0.00 O ATOM 61 CB SER A 5 -34.193 -2.545 -2.615 1.00 0.00 C ATOM 62 OG SER A 5 -33.161 -1.591 -2.431 1.00 0.00 O ATOM 0 H SER A 5 -32.315 -4.081 -0.670 1.00 0.00 H new ATOM 0 HA SER A 5 -34.559 -4.643 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.507 -2.549 -3.659 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.063 -2.263 -2.022 1.00 0.00 H new ATOM 0 HG SER A 5 -33.484 -0.705 -2.697 1.00 0.00 H new ATOM 68 N LYS A 6 -31.387 -3.899 -2.843 1.00 0.00 N ATOM 69 CA LYS A 6 -30.214 -4.247 -3.636 1.00 0.00 C ATOM 70 C LYS A 6 -29.395 -5.337 -2.952 1.00 0.00 C ATOM 71 O LYS A 6 -29.652 -5.693 -1.802 1.00 0.00 O ATOM 72 CB LYS A 6 -29.343 -3.010 -3.866 1.00 0.00 C ATOM 73 CG LYS A 6 -29.808 -2.146 -5.028 1.00 0.00 C ATOM 74 CD LYS A 6 -28.741 -1.146 -5.440 1.00 0.00 C ATOM 75 CE LYS A 6 -28.707 -0.957 -6.948 1.00 0.00 C ATOM 76 NZ LYS A 6 -27.664 0.022 -7.362 1.00 0.00 N ATOM 0 H LYS A 6 -31.201 -3.255 -2.074 1.00 0.00 H new ATOM 0 HA LYS A 6 -30.559 -4.627 -4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -29.334 -2.408 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -28.316 -3.328 -4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -30.060 -2.781 -5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -30.717 -1.615 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -28.933 -0.188 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -27.766 -1.489 -5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -28.516 -1.916 -7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -29.683 -0.615 -7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -27.673 0.122 -8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -27.860 0.944 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -26.729 -0.316 -7.055 1.00 0.00 H new ATOM 90 N LYS A 7 -28.407 -5.863 -3.668 1.00 0.00 N ATOM 91 CA LYS A 7 -27.546 -6.912 -3.135 1.00 0.00 C ATOM 92 C LYS A 7 -26.078 -6.507 -3.233 1.00 0.00 C ATOM 93 O LYS A 7 -25.710 -5.674 -4.061 1.00 0.00 O ATOM 94 CB LYS A 7 -27.781 -8.224 -3.888 1.00 0.00 C ATOM 95 CG LYS A 7 -27.536 -8.121 -5.382 1.00 0.00 C ATOM 96 CD LYS A 7 -27.732 -9.461 -6.072 1.00 0.00 C ATOM 97 CE LYS A 7 -26.599 -10.422 -5.753 1.00 0.00 C ATOM 98 NZ LYS A 7 -26.921 -11.817 -6.165 1.00 0.00 N ATOM 0 H LYS A 7 -28.182 -5.579 -4.622 1.00 0.00 H new ATOM 0 HA LYS A 7 -27.795 -7.058 -2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -27.128 -8.993 -3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -28.807 -8.551 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -28.215 -7.386 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -26.522 -7.763 -5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -28.680 -9.898 -5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -27.791 -9.311 -7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -25.691 -10.094 -6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -26.393 -10.398 -4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -26.123 -12.441 -5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -27.772 -12.140 -5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -27.093 -11.845 -7.190 1.00 0.00 H new ATOM 112 N PRO A 8 -25.214 -7.095 -2.387 1.00 0.00 N ATOM 113 CA PRO A 8 -23.781 -6.791 -2.383 1.00 0.00 C ATOM 114 C PRO A 8 -23.154 -6.941 -3.768 1.00 0.00 C ATOM 115 O PRO A 8 -22.584 -5.992 -4.304 1.00 0.00 O ATOM 116 CB PRO A 8 -23.184 -7.819 -1.408 1.00 0.00 C ATOM 117 CG PRO A 8 -24.262 -8.826 -1.179 1.00 0.00 C ATOM 118 CD PRO A 8 -25.558 -8.096 -1.369 1.00 0.00 C ATOM 0 HA PRO A 8 -23.591 -5.758 -2.091 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -22.293 -8.286 -1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -22.885 -7.345 -0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -24.176 -9.656 -1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -24.195 -9.248 -0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -26.353 -8.761 -1.707 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -25.902 -7.633 -0.444 1.00 0.00 H new ATOM 126 N THR A 9 -23.262 -8.141 -4.334 1.00 0.00 N ATOM 127 CA THR A 9 -22.705 -8.428 -5.657 1.00 0.00 C ATOM 128 C THR A 9 -21.281 -7.892 -5.779 1.00 0.00 C ATOM 129 O THR A 9 -20.964 -7.130 -6.692 1.00 0.00 O ATOM 130 CB THR A 9 -23.593 -7.837 -6.757 1.00 0.00 C ATOM 131 OG1 THR A 9 -23.060 -8.126 -8.037 1.00 0.00 O ATOM 132 CG2 THR A 9 -23.761 -6.335 -6.662 1.00 0.00 C ATOM 0 H THR A 9 -23.732 -8.934 -3.897 1.00 0.00 H new ATOM 0 HA THR A 9 -22.674 -9.511 -5.780 1.00 0.00 H new ATOM 0 HB THR A 9 -24.569 -8.301 -6.615 1.00 0.00 H new ATOM 0 HG1 THR A 9 -22.204 -7.662 -8.147 1.00 0.00 H new ATOM 0 HG21 THR A 9 -24.402 -5.989 -7.473 1.00 0.00 H new ATOM 0 HG22 THR A 9 -24.217 -6.080 -5.705 1.00 0.00 H new ATOM 0 HG23 THR A 9 -22.786 -5.854 -6.739 1.00 0.00 H new ATOM 140 N ILE A 10 -20.430 -8.300 -4.844 1.00 0.00 N ATOM 141 CA ILE A 10 -19.039 -7.869 -4.829 1.00 0.00 C ATOM 142 C ILE A 10 -18.103 -9.047 -5.072 1.00 0.00 C ATOM 143 O ILE A 10 -17.788 -9.806 -4.155 1.00 0.00 O ATOM 144 CB ILE A 10 -18.686 -7.193 -3.487 1.00 0.00 C ATOM 145 CG1 ILE A 10 -19.510 -5.917 -3.310 1.00 0.00 C ATOM 146 CG2 ILE A 10 -17.195 -6.885 -3.399 1.00 0.00 C ATOM 147 CD1 ILE A 10 -19.126 -4.809 -4.267 1.00 0.00 C ATOM 0 H ILE A 10 -20.682 -8.932 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 10 -18.910 -7.144 -5.633 1.00 0.00 H new ATOM 0 HB ILE A 10 -18.929 -7.886 -2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -20.565 -6.154 -3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.394 -5.559 -2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -16.978 -6.409 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.627 -7.811 -3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.914 -6.214 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.752 -3.936 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -18.080 -4.544 -4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -19.269 -5.148 -5.293 1.00 0.00 H new ATOM 159 N ILE A 11 -17.662 -9.188 -6.316 1.00 0.00 N ATOM 160 CA ILE A 11 -16.758 -10.268 -6.686 1.00 0.00 C ATOM 161 C ILE A 11 -15.751 -9.803 -7.731 1.00 0.00 C ATOM 162 O ILE A 11 -16.055 -9.747 -8.921 1.00 0.00 O ATOM 163 CB ILE A 11 -17.533 -11.478 -7.241 1.00 0.00 C ATOM 164 CG1 ILE A 11 -18.733 -11.797 -6.348 1.00 0.00 C ATOM 165 CG2 ILE A 11 -16.615 -12.684 -7.366 1.00 0.00 C ATOM 166 CD1 ILE A 11 -18.354 -12.369 -4.999 1.00 0.00 C ATOM 0 H ILE A 11 -17.916 -8.568 -7.085 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.229 -10.567 -5.781 1.00 0.00 H new ATOM 0 HB ILE A 11 -17.905 -11.229 -8.235 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -19.314 -10.887 -6.196 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -19.380 -12.506 -6.864 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.178 -13.530 -7.759 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -15.794 -12.448 -8.043 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -16.214 -12.939 -6.385 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -19.257 -12.570 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.800 -13.297 -5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -17.732 -11.653 -4.462 1.00 0.00 H new ATOM 178 N TYR A 12 -14.547 -9.477 -7.275 1.00 0.00 N ATOM 179 CA TYR A 12 -13.487 -9.022 -8.169 1.00 0.00 C ATOM 180 C TYR A 12 -12.116 -9.447 -7.650 1.00 0.00 C ATOM 181 O TYR A 12 -11.473 -8.715 -6.900 1.00 0.00 O ATOM 182 CB TYR A 12 -13.533 -7.500 -8.327 1.00 0.00 C ATOM 183 CG TYR A 12 -13.950 -6.762 -7.071 1.00 0.00 C ATOM 184 CD1 TYR A 12 -13.033 -6.488 -6.063 1.00 0.00 C ATOM 185 CD2 TYR A 12 -15.261 -6.338 -6.897 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.413 -5.812 -4.918 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.647 -5.662 -5.755 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.720 -5.403 -4.769 1.00 0.00 C ATOM 189 OH TYR A 12 -15.101 -4.730 -3.631 1.00 0.00 O ATOM 0 H TYR A 12 -14.280 -9.519 -6.292 1.00 0.00 H new ATOM 0 HA TYR A 12 -13.650 -9.485 -9.142 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.548 -7.147 -8.633 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -14.226 -7.249 -9.130 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -12.008 -6.808 -6.176 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.991 -6.540 -7.667 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.688 -5.606 -4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.670 -5.338 -5.636 1.00 0.00 H new ATOM 0 HH TYR A 12 -15.836 -4.118 -3.844 1.00 0.00 H new ATOM 199 N PRO A 13 -11.647 -10.641 -8.044 1.00 0.00 N ATOM 200 CA PRO A 13 -10.355 -11.157 -7.620 1.00 0.00 C ATOM 201 C PRO A 13 -9.232 -10.751 -8.569 1.00 0.00 C ATOM 202 O PRO A 13 -8.654 -11.590 -9.259 1.00 0.00 O ATOM 203 CB PRO A 13 -10.585 -12.661 -7.661 1.00 0.00 C ATOM 204 CG PRO A 13 -11.515 -12.858 -8.814 1.00 0.00 C ATOM 205 CD PRO A 13 -12.340 -11.594 -8.930 1.00 0.00 C ATOM 0 HA PRO A 13 -10.042 -10.777 -6.648 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.650 -13.203 -7.806 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.022 -13.023 -6.730 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.958 -13.042 -9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.156 -13.724 -8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.376 -11.232 -9.958 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.370 -11.758 -8.614 1.00 0.00 H new ATOM 213 N CYS A 14 -8.933 -9.456 -8.601 1.00 0.00 N ATOM 214 CA CYS A 14 -7.885 -8.938 -9.472 1.00 0.00 C ATOM 215 C CYS A 14 -7.061 -7.866 -8.763 1.00 0.00 C ATOM 216 O CYS A 14 -7.423 -7.405 -7.682 1.00 0.00 O ATOM 217 CB CYS A 14 -8.503 -8.369 -10.753 1.00 0.00 C ATOM 218 SG CYS A 14 -9.446 -6.843 -10.511 1.00 0.00 S ATOM 0 H CYS A 14 -9.401 -8.748 -8.035 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.218 -9.760 -9.730 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.707 -8.180 -11.474 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.158 -9.122 -11.192 1.00 0.00 H new ATOM 0 HG CYS A 14 -9.924 -6.443 -11.652 1.00 0.00 H new ATOM 224 N LEU A 15 -5.954 -7.470 -9.385 1.00 0.00 N ATOM 225 CA LEU A 15 -5.081 -6.448 -8.816 1.00 0.00 C ATOM 226 C LEU A 15 -5.631 -5.052 -9.089 1.00 0.00 C ATOM 227 O LEU A 15 -5.661 -4.600 -10.233 1.00 0.00 O ATOM 228 CB LEU A 15 -3.667 -6.577 -9.392 1.00 0.00 C ATOM 229 CG LEU A 15 -2.574 -6.876 -8.366 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.479 -7.731 -8.986 1.00 0.00 C ATOM 231 CD2 LEU A 15 -1.993 -5.582 -7.815 1.00 0.00 C ATOM 0 H LEU A 15 -5.641 -7.841 -10.282 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.040 -6.598 -7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.667 -7.369 -10.141 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.416 -5.650 -9.908 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.019 -7.433 -7.541 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.710 -7.934 -8.241 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.905 -8.672 -9.333 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.037 -7.200 -9.829 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.216 -5.813 -7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.564 -5.000 -8.630 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.782 -5.005 -7.333 1.00 0.00 H new ATOM 243 N TRP A 16 -6.066 -4.374 -8.032 1.00 0.00 N ATOM 244 CA TRP A 16 -6.616 -3.030 -8.161 1.00 0.00 C ATOM 245 C TRP A 16 -5.640 -1.987 -7.624 1.00 0.00 C ATOM 246 O TRP A 16 -4.975 -2.208 -6.611 1.00 0.00 O ATOM 247 CB TRP A 16 -7.949 -2.928 -7.419 1.00 0.00 C ATOM 248 CG TRP A 16 -8.633 -1.609 -7.606 1.00 0.00 C ATOM 249 CD1 TRP A 16 -9.109 -0.787 -6.625 1.00 0.00 C ATOM 250 CD2 TRP A 16 -8.923 -0.960 -8.849 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.675 0.335 -7.183 1.00 0.00 N ATOM 252 CE2 TRP A 16 -9.573 0.251 -8.548 1.00 0.00 C ATOM 253 CE3 TRP A 16 -8.694 -1.287 -10.189 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -9.997 1.136 -9.536 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -9.114 -0.408 -11.169 1.00 0.00 C ATOM 256 CH2 TRP A 16 -9.758 0.792 -10.839 1.00 0.00 C ATOM 0 H TRP A 16 -6.048 -4.733 -7.077 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.782 -2.834 -9.220 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.610 -3.724 -7.763 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.778 -3.093 -6.355 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.050 -0.989 -5.566 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.101 1.104 -6.666 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -8.198 -2.209 -10.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.496 2.060 -9.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -8.943 -0.650 -12.208 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -10.072 1.459 -11.629 1.00 0.00 H new ATOM 267 N ASP A 17 -5.562 -0.851 -8.307 1.00 0.00 N ATOM 268 CA ASP A 17 -4.672 0.229 -7.898 1.00 0.00 C ATOM 269 C ASP A 17 -5.412 1.236 -7.024 1.00 0.00 C ATOM 270 O ASP A 17 -6.599 1.491 -7.225 1.00 0.00 O ATOM 271 CB ASP A 17 -4.087 0.932 -9.125 1.00 0.00 C ATOM 272 CG ASP A 17 -3.159 0.033 -9.918 1.00 0.00 C ATOM 273 OD1 ASP A 17 -3.518 -1.143 -10.142 1.00 0.00 O ATOM 274 OD2 ASP A 17 -2.073 0.504 -10.317 1.00 0.00 O ATOM 0 H ASP A 17 -6.105 -0.654 -9.148 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.858 -0.204 -7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.899 1.270 -9.769 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.543 1.821 -8.806 1.00 0.00 H new ATOM 279 N TYR A 18 -4.705 1.807 -6.053 1.00 0.00 N ATOM 280 CA TYR A 18 -5.301 2.785 -5.151 1.00 0.00 C ATOM 281 C TYR A 18 -4.502 4.082 -5.144 1.00 0.00 C ATOM 282 O TYR A 18 -3.414 4.151 -4.569 1.00 0.00 O ATOM 283 CB TYR A 18 -5.382 2.215 -3.734 1.00 0.00 C ATOM 284 CG TYR A 18 -6.187 0.939 -3.638 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.558 0.975 -3.411 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.578 -0.302 -3.773 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.296 -0.189 -3.324 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.311 -1.470 -3.685 1.00 0.00 C ATOM 289 CZ TYR A 18 -7.670 -1.409 -3.461 1.00 0.00 C ATOM 290 OH TYR A 18 -8.402 -2.569 -3.373 1.00 0.00 O ATOM 0 H TYR A 18 -3.721 1.609 -5.872 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.307 3.005 -5.508 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.372 2.026 -3.370 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.823 2.963 -3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.054 1.928 -3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.514 -0.355 -3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.361 -0.143 -3.149 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.821 -2.427 -3.791 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.316 -2.404 -3.685 1.00 0.00 H new ATOM 300 N ARG A 19 -5.049 5.113 -5.781 1.00 0.00 N ATOM 301 CA ARG A 19 -4.387 6.411 -5.843 1.00 0.00 C ATOM 302 C ARG A 19 -4.517 7.140 -4.510 1.00 0.00 C ATOM 303 O ARG A 19 -5.556 7.732 -4.213 1.00 0.00 O ATOM 304 CB ARG A 19 -4.986 7.261 -6.967 1.00 0.00 C ATOM 305 CG ARG A 19 -3.939 7.928 -7.848 1.00 0.00 C ATOM 306 CD ARG A 19 -3.920 9.437 -7.655 1.00 0.00 C ATOM 307 NE ARG A 19 -4.246 10.151 -8.888 1.00 0.00 N ATOM 308 CZ ARG A 19 -5.487 10.329 -9.336 1.00 0.00 C ATOM 309 NH1 ARG A 19 -6.522 9.844 -8.659 1.00 0.00 N ATOM 310 NH2 ARG A 19 -5.696 10.994 -10.464 1.00 0.00 N ATOM 0 H ARG A 19 -5.948 5.075 -6.261 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.329 6.248 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.624 6.631 -7.587 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.624 8.029 -6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.955 7.519 -7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.143 7.697 -8.894 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.633 9.712 -6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.934 9.746 -7.307 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.478 10.536 -9.438 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.368 9.332 -7.790 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.470 9.984 -9.008 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.906 11.369 -10.989 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.647 11.130 -10.807 1.00 0.00 H new ATOM 324 N VAL A 20 -3.460 7.088 -3.707 1.00 0.00 N ATOM 325 CA VAL A 20 -3.461 7.737 -2.401 1.00 0.00 C ATOM 326 C VAL A 20 -2.395 8.824 -2.318 1.00 0.00 C ATOM 327 O VAL A 20 -1.222 8.581 -2.605 1.00 0.00 O ATOM 328 CB VAL A 20 -3.223 6.720 -1.271 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.426 7.369 0.089 1.00 0.00 C ATOM 330 CG2 VAL A 20 -4.138 5.515 -1.436 1.00 0.00 C ATOM 0 H VAL A 20 -2.592 6.604 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.445 8.190 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.190 6.376 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.253 6.632 0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.725 8.195 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.446 7.745 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.956 4.806 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.178 5.841 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.937 5.034 -2.393 1.00 0.00 H new ATOM 340 N ILE A 21 -2.809 10.021 -1.916 1.00 0.00 N ATOM 341 CA ILE A 21 -1.889 11.146 -1.784 1.00 0.00 C ATOM 342 C ILE A 21 -1.825 11.621 -0.338 1.00 0.00 C ATOM 343 O ILE A 21 -2.850 11.721 0.336 1.00 0.00 O ATOM 344 CB ILE A 21 -2.298 12.332 -2.681 1.00 0.00 C ATOM 345 CG1 ILE A 21 -2.851 11.854 -4.032 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.115 13.265 -2.889 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.090 10.699 -4.651 1.00 0.00 C ATOM 0 H ILE A 21 -3.776 10.238 -1.676 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.909 10.790 -2.102 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.095 12.876 -2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.891 11.557 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.845 12.692 -4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.416 14.098 -3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.778 13.646 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.301 12.720 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.550 10.428 -5.601 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.055 10.994 -4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.118 9.842 -3.977 1.00 0.00 H new ATOM 359 N MET A 22 -0.619 11.913 0.138 1.00 0.00 N ATOM 360 CA MET A 22 -0.433 12.374 1.503 1.00 0.00 C ATOM 361 C MET A 22 0.080 13.805 1.530 1.00 0.00 C ATOM 362 O MET A 22 0.869 14.211 0.674 1.00 0.00 O ATOM 363 CB MET A 22 0.543 11.462 2.253 1.00 0.00 C ATOM 364 CG MET A 22 0.654 10.061 1.671 1.00 0.00 C ATOM 365 SD MET A 22 1.866 9.043 2.537 1.00 0.00 S ATOM 366 CE MET A 22 1.831 7.553 1.542 1.00 0.00 C ATOM 0 H MET A 22 0.242 11.838 -0.404 1.00 0.00 H new ATOM 0 HA MET A 22 -1.403 12.341 1.999 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.530 11.924 2.251 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.228 11.388 3.294 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.321 9.575 1.715 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.929 10.130 0.618 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.837 7.140 1.470 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.170 6.821 2.006 1.00 0.00 H new ATOM 0 HE3 MET A 22 1.465 7.791 0.543 1.00 0.00 H new ATOM 376 N THR A 23 -0.368 14.564 2.520 1.00 0.00 N ATOM 377 CA THR A 23 0.051 15.952 2.665 1.00 0.00 C ATOM 378 C THR A 23 0.686 16.175 4.033 1.00 0.00 C ATOM 379 O THR A 23 0.123 16.853 4.892 1.00 0.00 O ATOM 380 CB THR A 23 -1.145 16.890 2.474 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.951 16.934 3.641 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.037 16.494 1.317 1.00 0.00 C ATOM 0 H THR A 23 -1.021 14.243 3.235 1.00 0.00 H new ATOM 0 HA THR A 23 0.793 16.173 1.898 1.00 0.00 H new ATOM 0 HB THR A 23 -0.709 17.866 2.262 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.442 17.336 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.864 17.199 1.237 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.460 16.505 0.392 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.430 15.492 1.487 1.00 0.00 H new ATOM 390 N THR A 24 1.864 15.595 4.228 1.00 0.00 N ATOM 391 CA THR A 24 2.580 15.728 5.493 1.00 0.00 C ATOM 392 C THR A 24 4.088 15.660 5.278 1.00 0.00 C ATOM 393 O THR A 24 4.565 14.987 4.364 1.00 0.00 O ATOM 394 CB THR A 24 2.140 14.635 6.468 1.00 0.00 C ATOM 395 OG1 THR A 24 0.855 14.147 6.127 1.00 0.00 O ATOM 396 CG2 THR A 24 2.088 15.102 7.906 1.00 0.00 C ATOM 0 H THR A 24 2.344 15.029 3.528 1.00 0.00 H new ATOM 0 HA THR A 24 2.338 16.703 5.917 1.00 0.00 H new ATOM 0 HB THR A 24 2.894 13.852 6.385 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.206 14.434 6.803 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.769 14.278 8.545 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.078 15.439 8.215 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.380 15.926 7.996 1.00 0.00 H new ATOM 404 N LYS A 25 4.833 16.358 6.129 1.00 0.00 N ATOM 405 CA LYS A 25 6.289 16.373 6.035 1.00 0.00 C ATOM 406 C LYS A 25 6.916 15.313 6.940 1.00 0.00 C ATOM 407 O LYS A 25 8.139 15.180 6.996 1.00 0.00 O ATOM 408 CB LYS A 25 6.828 17.757 6.401 1.00 0.00 C ATOM 409 CG LYS A 25 6.374 18.245 7.769 1.00 0.00 C ATOM 410 CD LYS A 25 5.644 19.577 7.678 1.00 0.00 C ATOM 411 CE LYS A 25 6.114 20.545 8.753 1.00 0.00 C ATOM 412 NZ LYS A 25 5.428 20.309 10.053 1.00 0.00 N ATOM 0 H LYS A 25 4.453 16.920 6.891 1.00 0.00 H new ATOM 0 HA LYS A 25 6.560 16.142 5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.917 17.732 6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.509 18.474 5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.718 17.501 8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.239 18.348 8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.808 20.017 6.694 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.571 19.413 7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.191 20.443 8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.929 21.568 8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.777 20.989 10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.402 20.431 9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.625 19.341 10.379 1.00 0.00 H new ATOM 426 N ASP A 26 6.075 14.562 7.648 1.00 0.00 N ATOM 427 CA ASP A 26 6.556 13.518 8.546 1.00 0.00 C ATOM 428 C ASP A 26 6.114 12.141 8.062 1.00 0.00 C ATOM 429 O ASP A 26 5.774 11.269 8.862 1.00 0.00 O ATOM 430 CB ASP A 26 6.044 13.764 9.967 1.00 0.00 C ATOM 431 CG ASP A 26 7.131 13.595 11.011 1.00 0.00 C ATOM 432 OD1 ASP A 26 7.893 14.559 11.235 1.00 0.00 O ATOM 433 OD2 ASP A 26 7.220 12.500 11.603 1.00 0.00 O ATOM 0 H ASP A 26 5.060 14.658 7.617 1.00 0.00 H new ATOM 0 HA ASP A 26 7.646 13.548 8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.634 14.772 10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.228 13.073 10.181 1.00 0.00 H new ATOM 438 N THR A 27 6.120 11.952 6.746 1.00 0.00 N ATOM 439 CA THR A 27 5.718 10.682 6.153 1.00 0.00 C ATOM 440 C THR A 27 6.821 9.631 6.284 1.00 0.00 C ATOM 441 O THR A 27 6.627 8.471 5.920 1.00 0.00 O ATOM 442 CB THR A 27 5.359 10.877 4.679 1.00 0.00 C ATOM 443 OG1 THR A 27 6.313 11.702 4.036 1.00 0.00 O ATOM 444 CG2 THR A 27 3.997 11.501 4.473 1.00 0.00 C ATOM 0 H THR A 27 6.399 12.663 6.070 1.00 0.00 H new ATOM 0 HA THR A 27 4.842 10.324 6.695 1.00 0.00 H new ATOM 0 HB THR A 27 5.350 9.876 4.248 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.067 11.813 3.094 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.805 11.611 3.406 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.233 10.861 4.915 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.970 12.481 4.950 1.00 0.00 H new ATOM 452 N SER A 28 7.979 10.038 6.803 1.00 0.00 N ATOM 453 CA SER A 28 9.107 9.125 6.975 1.00 0.00 C ATOM 454 C SER A 28 8.667 7.828 7.649 1.00 0.00 C ATOM 455 O SER A 28 9.242 6.766 7.408 1.00 0.00 O ATOM 456 CB SER A 28 10.208 9.795 7.800 1.00 0.00 C ATOM 457 OG SER A 28 11.237 10.296 6.965 1.00 0.00 O ATOM 0 H SER A 28 8.160 10.993 7.111 1.00 0.00 H new ATOM 0 HA SER A 28 9.497 8.881 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.783 10.609 8.387 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.625 9.077 8.506 1.00 0.00 H new ATOM 0 HG SER A 28 11.927 10.721 7.516 1.00 0.00 H new ATOM 463 N THR A 29 7.643 7.920 8.491 1.00 0.00 N ATOM 464 CA THR A 29 7.126 6.755 9.197 1.00 0.00 C ATOM 465 C THR A 29 6.360 5.840 8.245 1.00 0.00 C ATOM 466 O THR A 29 6.544 4.623 8.252 1.00 0.00 O ATOM 467 CB THR A 29 6.218 7.189 10.348 1.00 0.00 C ATOM 468 OG1 THR A 29 5.715 6.064 11.044 1.00 0.00 O ATOM 469 CG2 THR A 29 5.033 8.017 9.895 1.00 0.00 C ATOM 0 H THR A 29 7.155 8.791 8.701 1.00 0.00 H new ATOM 0 HA THR A 29 7.973 6.202 9.603 1.00 0.00 H new ATOM 0 HB THR A 29 6.845 7.803 10.994 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.138 6.364 11.777 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.429 8.292 10.760 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.389 8.920 9.399 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.427 7.436 9.200 1.00 0.00 H new ATOM 477 N LEU A 30 5.502 6.436 7.424 1.00 0.00 N ATOM 478 CA LEU A 30 4.711 5.674 6.466 1.00 0.00 C ATOM 479 C LEU A 30 5.570 5.226 5.288 1.00 0.00 C ATOM 480 O LEU A 30 5.316 4.186 4.682 1.00 0.00 O ATOM 481 CB LEU A 30 3.531 6.511 5.963 1.00 0.00 C ATOM 482 CG LEU A 30 2.393 5.711 5.326 1.00 0.00 C ATOM 483 CD1 LEU A 30 1.929 4.605 6.261 1.00 0.00 C ATOM 484 CD2 LEU A 30 1.235 6.628 4.962 1.00 0.00 C ATOM 0 H LEU A 30 5.337 7.442 7.403 1.00 0.00 H new ATOM 0 HA LEU A 30 4.328 4.788 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.129 7.083 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.901 7.231 5.233 1.00 0.00 H new ATOM 0 HG LEU A 30 2.766 5.251 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.119 4.047 5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.761 3.932 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.574 5.042 7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.435 6.042 4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.862 7.118 5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.577 7.382 4.253 1.00 0.00 H new ATOM 496 N LYS A 31 6.588 6.018 4.970 1.00 0.00 N ATOM 497 CA LYS A 31 7.487 5.701 3.865 1.00 0.00 C ATOM 498 C LYS A 31 8.131 4.334 4.062 1.00 0.00 C ATOM 499 O LYS A 31 8.395 3.616 3.097 1.00 0.00 O ATOM 500 CB LYS A 31 8.569 6.776 3.735 1.00 0.00 C ATOM 501 CG LYS A 31 8.016 8.169 3.485 1.00 0.00 C ATOM 502 CD LYS A 31 8.216 8.601 2.041 1.00 0.00 C ATOM 503 CE LYS A 31 7.072 8.132 1.155 1.00 0.00 C ATOM 504 NZ LYS A 31 5.823 8.903 1.406 1.00 0.00 N ATOM 0 H LYS A 31 6.812 6.884 5.461 1.00 0.00 H new ATOM 0 HA LYS A 31 6.899 5.675 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.167 6.790 4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.239 6.508 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.953 8.188 3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.507 8.880 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.293 9.687 1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.157 8.197 1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.358 8.235 0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.886 7.073 1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.119 8.286 1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.031 9.708 2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.445 9.254 0.503 1.00 0.00 H new ATOM 518 N GLU A 32 8.382 3.975 5.319 1.00 0.00 N ATOM 519 CA GLU A 32 8.992 2.690 5.637 1.00 0.00 C ATOM 520 C GLU A 32 7.929 1.604 5.778 1.00 0.00 C ATOM 521 O GLU A 32 8.192 0.430 5.521 1.00 0.00 O ATOM 522 CB GLU A 32 9.819 2.792 6.923 1.00 0.00 C ATOM 523 CG GLU A 32 8.983 3.003 8.176 1.00 0.00 C ATOM 524 CD GLU A 32 9.277 1.978 9.254 1.00 0.00 C ATOM 525 OE1 GLU A 32 10.418 1.961 9.761 1.00 0.00 O ATOM 526 OE2 GLU A 32 8.365 1.193 9.592 1.00 0.00 O ATOM 0 H GLU A 32 8.172 4.556 6.131 1.00 0.00 H new ATOM 0 HA GLU A 32 9.655 2.418 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.407 1.881 7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.525 3.617 6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.171 4.002 8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.926 2.957 7.915 1.00 0.00 H new ATOM 533 N LEU A 33 6.729 2.007 6.182 1.00 0.00 N ATOM 534 CA LEU A 33 5.627 1.067 6.350 1.00 0.00 C ATOM 535 C LEU A 33 5.127 0.569 4.997 1.00 0.00 C ATOM 536 O LEU A 33 4.611 -0.543 4.888 1.00 0.00 O ATOM 537 CB LEU A 33 4.484 1.727 7.126 1.00 0.00 C ATOM 538 CG LEU A 33 4.386 1.327 8.600 1.00 0.00 C ATOM 539 CD1 LEU A 33 4.332 2.561 9.489 1.00 0.00 C ATOM 540 CD2 LEU A 33 3.167 0.447 8.837 1.00 0.00 C ATOM 0 H LEU A 33 6.495 2.976 6.399 1.00 0.00 H new ATOM 0 HA LEU A 33 5.991 0.210 6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.602 2.809 7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.542 1.481 6.635 1.00 0.00 H new ATOM 0 HG LEU A 33 5.278 0.756 8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.262 2.255 10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.235 3.154 9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.459 3.160 9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.115 0.173 9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.265 0.992 8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.247 -0.456 8.231 1.00 0.00 H new ATOM 552 N LEU A 34 5.283 1.399 3.970 1.00 0.00 N ATOM 553 CA LEU A 34 4.848 1.041 2.625 1.00 0.00 C ATOM 554 C LEU A 34 5.964 0.338 1.860 1.00 0.00 C ATOM 555 O LEU A 34 5.709 -0.524 1.022 1.00 0.00 O ATOM 556 CB LEU A 34 4.402 2.291 1.861 1.00 0.00 C ATOM 557 CG LEU A 34 3.296 3.103 2.537 1.00 0.00 C ATOM 558 CD1 LEU A 34 3.061 4.408 1.793 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.011 2.291 2.615 1.00 0.00 C ATOM 0 H LEU A 34 5.707 2.324 4.044 1.00 0.00 H new ATOM 0 HA LEU A 34 4.005 0.356 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.268 2.937 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.058 1.990 0.872 1.00 0.00 H new ATOM 0 HG LEU A 34 3.614 3.341 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.271 4.972 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.979 4.996 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.764 4.193 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.235 2.884 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.689 2.023 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.188 1.384 3.193 1.00 0.00 H new ATOM 571 N GLU A 35 7.203 0.715 2.157 1.00 0.00 N ATOM 572 CA GLU A 35 8.362 0.123 1.497 1.00 0.00 C ATOM 573 C GLU A 35 8.738 -1.220 2.124 1.00 0.00 C ATOM 574 O GLU A 35 9.597 -1.934 1.607 1.00 0.00 O ATOM 575 CB GLU A 35 9.555 1.078 1.563 1.00 0.00 C ATOM 576 CG GLU A 35 9.473 2.223 0.565 1.00 0.00 C ATOM 577 CD GLU A 35 10.738 2.372 -0.258 1.00 0.00 C ATOM 578 OE1 GLU A 35 11.726 2.929 0.268 1.00 0.00 O ATOM 579 OE2 GLU A 35 10.742 1.932 -1.426 1.00 0.00 O ATOM 0 H GLU A 35 7.431 1.428 2.850 1.00 0.00 H new ATOM 0 HA GLU A 35 8.095 -0.052 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.626 1.489 2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.471 0.515 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.627 2.058 -0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.280 3.153 1.100 1.00 0.00 H new ATOM 586 N THR A 36 8.095 -1.561 3.239 1.00 0.00 N ATOM 587 CA THR A 36 8.373 -2.819 3.923 1.00 0.00 C ATOM 588 C THR A 36 8.090 -4.008 3.009 1.00 0.00 C ATOM 589 O THR A 36 8.845 -4.979 2.985 1.00 0.00 O ATOM 590 CB THR A 36 7.533 -2.929 5.196 1.00 0.00 C ATOM 591 OG1 THR A 36 7.809 -4.141 5.875 1.00 0.00 O ATOM 592 CG2 THR A 36 6.043 -2.876 4.939 1.00 0.00 C ATOM 0 H THR A 36 7.381 -0.985 3.685 1.00 0.00 H new ATOM 0 HA THR A 36 9.429 -2.832 4.192 1.00 0.00 H new ATOM 0 HB THR A 36 7.811 -2.065 5.800 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.389 -4.123 6.760 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.507 -2.959 5.885 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.790 -1.930 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.757 -3.701 4.286 1.00 0.00 H new ATOM 600 N TYR A 37 6.998 -3.922 2.256 1.00 0.00 N ATOM 601 CA TYR A 37 6.614 -4.990 1.339 1.00 0.00 C ATOM 602 C TYR A 37 6.414 -6.307 2.083 1.00 0.00 C ATOM 603 O TYR A 37 6.876 -7.359 1.640 1.00 0.00 O ATOM 604 CB TYR A 37 7.676 -5.159 0.250 1.00 0.00 C ATOM 605 CG TYR A 37 7.463 -4.260 -0.949 1.00 0.00 C ATOM 606 CD1 TYR A 37 7.726 -2.899 -0.875 1.00 0.00 C ATOM 607 CD2 TYR A 37 7.000 -4.775 -2.153 1.00 0.00 C ATOM 608 CE1 TYR A 37 7.532 -2.074 -1.967 1.00 0.00 C ATOM 609 CE2 TYR A 37 6.804 -3.957 -3.250 1.00 0.00 C ATOM 610 CZ TYR A 37 7.072 -2.608 -3.151 1.00 0.00 C ATOM 611 OH TYR A 37 6.878 -1.791 -4.241 1.00 0.00 O ATOM 0 H TYR A 37 6.363 -3.124 2.263 1.00 0.00 H new ATOM 0 HA TYR A 37 5.667 -4.713 0.875 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.658 -4.955 0.677 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.682 -6.197 -0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.088 -2.478 0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.790 -5.831 -2.233 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.740 -1.017 -1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.443 -4.372 -4.179 1.00 0.00 H new ATOM 0 HH TYR A 37 6.552 -2.324 -4.996 1.00 0.00 H new ATOM 621 N GLN A 38 5.721 -6.243 3.215 1.00 0.00 N ATOM 622 CA GLN A 38 5.458 -7.431 4.018 1.00 0.00 C ATOM 623 C GLN A 38 4.607 -8.432 3.242 1.00 0.00 C ATOM 624 O GLN A 38 4.883 -9.630 3.243 1.00 0.00 O ATOM 625 CB GLN A 38 4.757 -7.047 5.322 1.00 0.00 C ATOM 626 CG GLN A 38 5.711 -6.613 6.421 1.00 0.00 C ATOM 627 CD GLN A 38 5.311 -7.143 7.785 1.00 0.00 C ATOM 628 OE1 GLN A 38 4.286 -6.749 8.339 1.00 0.00 O ATOM 629 NE2 GLN A 38 6.121 -8.042 8.332 1.00 0.00 N ATOM 0 H GLN A 38 5.332 -5.381 3.597 1.00 0.00 H new ATOM 0 HA GLN A 38 6.413 -7.900 4.254 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.054 -6.238 5.122 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.173 -7.897 5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.716 -6.959 6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.748 -5.524 6.455 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.961 -8.340 7.836 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.903 -8.434 9.248 1.00 0.00 H new ATOM 638 N ARG A 39 3.573 -7.926 2.577 1.00 0.00 N ATOM 639 CA ARG A 39 2.681 -8.770 1.792 1.00 0.00 C ATOM 640 C ARG A 39 2.851 -8.487 0.299 1.00 0.00 C ATOM 641 O ARG A 39 3.505 -7.518 -0.083 1.00 0.00 O ATOM 642 CB ARG A 39 1.226 -8.545 2.214 1.00 0.00 C ATOM 643 CG ARG A 39 0.762 -7.104 2.079 1.00 0.00 C ATOM 644 CD ARG A 39 -0.546 -6.867 2.815 1.00 0.00 C ATOM 645 NE ARG A 39 -0.352 -6.773 4.261 1.00 0.00 N ATOM 646 CZ ARG A 39 0.117 -5.689 4.875 1.00 0.00 C ATOM 647 NH1 ARG A 39 0.441 -4.608 4.177 1.00 0.00 N ATOM 648 NH2 ARG A 39 0.264 -5.686 6.194 1.00 0.00 N ATOM 0 H ARG A 39 3.333 -6.935 2.567 1.00 0.00 H new ATOM 0 HA ARG A 39 2.940 -9.812 1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.580 -9.183 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.106 -8.860 3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.528 -6.436 2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.637 -6.859 1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.006 -5.948 2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.238 -7.679 2.594 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.590 -7.584 4.832 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.331 -4.604 3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.800 -3.781 4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.018 -6.514 6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.623 -4.856 6.665 1.00 0.00 H new ATOM 662 N PRO A 40 2.279 -9.341 -0.568 1.00 0.00 N ATOM 663 CA PRO A 40 2.383 -9.181 -2.024 1.00 0.00 C ATOM 664 C PRO A 40 1.687 -7.916 -2.528 1.00 0.00 C ATOM 665 O PRO A 40 0.707 -7.988 -3.270 1.00 0.00 O ATOM 666 CB PRO A 40 1.688 -10.432 -2.582 1.00 0.00 C ATOM 667 CG PRO A 40 1.615 -11.386 -1.437 1.00 0.00 C ATOM 668 CD PRO A 40 1.502 -10.536 -0.206 1.00 0.00 C ATOM 0 HA PRO A 40 3.421 -9.079 -2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.694 -10.194 -2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.251 -10.857 -3.413 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.756 -12.050 -1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.503 -12.017 -1.396 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.465 -10.291 0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.913 -11.036 0.671 1.00 0.00 H new ATOM 676 N PHE A 41 2.202 -6.758 -2.124 1.00 0.00 N ATOM 677 CA PHE A 41 1.631 -5.482 -2.543 1.00 0.00 C ATOM 678 C PHE A 41 2.712 -4.565 -3.109 1.00 0.00 C ATOM 679 O PHE A 41 3.836 -4.531 -2.608 1.00 0.00 O ATOM 680 CB PHE A 41 0.911 -4.801 -1.370 1.00 0.00 C ATOM 681 CG PHE A 41 1.831 -4.110 -0.399 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.479 -4.827 0.593 1.00 0.00 C ATOM 683 CD2 PHE A 41 2.042 -2.742 -0.479 1.00 0.00 C ATOM 684 CE1 PHE A 41 3.320 -4.196 1.488 1.00 0.00 C ATOM 685 CE2 PHE A 41 2.883 -2.106 0.415 1.00 0.00 C ATOM 686 CZ PHE A 41 3.523 -2.833 1.398 1.00 0.00 C ATOM 0 H PHE A 41 3.011 -6.677 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 41 0.902 -5.678 -3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.205 -4.071 -1.766 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.329 -5.549 -0.832 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.325 -5.893 0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.545 -2.168 -1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.818 -4.767 2.257 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.039 -1.040 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.181 -2.337 2.096 1.00 0.00 H new ATOM 696 N LYS A 42 2.365 -3.821 -4.156 1.00 0.00 N ATOM 697 CA LYS A 42 3.307 -2.907 -4.789 1.00 0.00 C ATOM 698 C LYS A 42 2.790 -1.474 -4.742 1.00 0.00 C ATOM 699 O LYS A 42 1.622 -1.235 -4.437 1.00 0.00 O ATOM 700 CB LYS A 42 3.557 -3.323 -6.240 1.00 0.00 C ATOM 701 CG LYS A 42 4.368 -4.602 -6.375 1.00 0.00 C ATOM 702 CD LYS A 42 5.266 -4.565 -7.601 1.00 0.00 C ATOM 703 CE LYS A 42 4.454 -4.473 -8.883 1.00 0.00 C ATOM 704 NZ LYS A 42 4.125 -5.818 -9.431 1.00 0.00 N ATOM 0 H LYS A 42 1.439 -3.834 -4.583 1.00 0.00 H new ATOM 0 HA LYS A 42 4.246 -2.954 -4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.598 -3.456 -6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.078 -2.516 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.976 -4.745 -5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.694 -5.456 -6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.940 -3.711 -7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.887 -5.460 -7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.532 -3.924 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.013 -3.905 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.571 -5.711 -10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.004 -6.333 -9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.569 -6.351 -8.732 1.00 0.00 H new ATOM 718 N LEU A 43 3.667 -0.524 -5.046 1.00 0.00 N ATOM 719 CA LEU A 43 3.299 0.887 -5.040 1.00 0.00 C ATOM 720 C LEU A 43 3.936 1.624 -6.213 1.00 0.00 C ATOM 721 O LEU A 43 5.109 1.414 -6.525 1.00 0.00 O ATOM 722 CB LEU A 43 3.723 1.541 -3.722 1.00 0.00 C ATOM 723 CG LEU A 43 2.655 1.542 -2.625 1.00 0.00 C ATOM 724 CD1 LEU A 43 2.980 0.504 -1.562 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.531 2.925 -2.003 1.00 0.00 C ATOM 0 H LEU A 43 4.638 -0.705 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 43 2.216 0.952 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.607 1.026 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.016 2.571 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 43 1.698 1.281 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.210 0.520 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.017 -0.485 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.947 0.733 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.767 2.907 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.487 3.215 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.250 3.645 -2.771 1.00 0.00 H new ATOM 737 N GLU A 44 3.160 2.490 -6.854 1.00 0.00 N ATOM 738 CA GLU A 44 3.653 3.261 -7.986 1.00 0.00 C ATOM 739 C GLU A 44 3.919 4.704 -7.573 1.00 0.00 C ATOM 740 O GLU A 44 3.026 5.551 -7.617 1.00 0.00 O ATOM 741 CB GLU A 44 2.650 3.223 -9.143 1.00 0.00 C ATOM 742 CG GLU A 44 2.026 1.855 -9.364 1.00 0.00 C ATOM 743 CD GLU A 44 1.746 1.570 -10.827 1.00 0.00 C ATOM 744 OE1 GLU A 44 1.102 2.417 -11.483 1.00 0.00 O ATOM 745 OE2 GLU A 44 2.172 0.504 -11.317 1.00 0.00 O ATOM 0 H GLU A 44 2.187 2.675 -6.608 1.00 0.00 H new ATOM 0 HA GLU A 44 4.589 2.813 -8.321 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.858 3.947 -8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.152 3.536 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.692 1.088 -8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.095 1.789 -8.800 1.00 0.00 H new ATOM 752 N PHE A 45 5.154 4.973 -7.165 1.00 0.00 N ATOM 753 CA PHE A 45 5.546 6.309 -6.732 1.00 0.00 C ATOM 754 C PHE A 45 5.346 7.325 -7.850 1.00 0.00 C ATOM 755 O PHE A 45 6.014 7.268 -8.883 1.00 0.00 O ATOM 756 CB PHE A 45 7.010 6.308 -6.283 1.00 0.00 C ATOM 757 CG PHE A 45 7.218 5.803 -4.881 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.418 4.794 -4.363 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.218 6.335 -4.082 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.614 4.328 -3.076 1.00 0.00 C ATOM 761 CE2 PHE A 45 8.416 5.874 -2.796 1.00 0.00 C ATOM 762 CZ PHE A 45 7.614 4.870 -2.292 1.00 0.00 C ATOM 0 H PHE A 45 5.903 4.282 -7.125 1.00 0.00 H new ATOM 0 HA PHE A 45 4.913 6.594 -5.892 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.590 5.692 -6.970 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.403 7.322 -6.355 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.634 4.368 -4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.850 7.120 -4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.986 3.541 -2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.198 6.299 -2.184 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.768 4.509 -1.286 1.00 0.00 H new ATOM 772 N LYS A 46 4.424 8.256 -7.635 1.00 0.00 N ATOM 773 CA LYS A 46 4.133 9.290 -8.622 1.00 0.00 C ATOM 774 C LYS A 46 5.267 10.308 -8.691 1.00 0.00 C ATOM 775 O LYS A 46 5.590 10.822 -9.763 1.00 0.00 O ATOM 776 CB LYS A 46 2.819 9.995 -8.282 1.00 0.00 C ATOM 777 CG LYS A 46 1.585 9.154 -8.565 1.00 0.00 C ATOM 778 CD LYS A 46 1.253 9.133 -10.048 1.00 0.00 C ATOM 779 CE LYS A 46 0.483 10.378 -10.464 1.00 0.00 C ATOM 780 NZ LYS A 46 -0.617 10.060 -11.416 1.00 0.00 N ATOM 0 H LYS A 46 3.864 8.316 -6.785 1.00 0.00 H new ATOM 0 HA LYS A 46 4.037 8.811 -9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.827 10.270 -7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.755 10.921 -8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.749 8.135 -8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.737 9.551 -8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.174 9.063 -10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.663 8.245 -10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.069 10.861 -9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.167 11.091 -10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.116 10.935 -11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.220 9.623 -12.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.284 9.400 -10.968 1.00 0.00 H new ATOM 794 N ASN A 47 5.867 10.596 -7.542 1.00 0.00 N ATOM 795 CA ASN A 47 6.966 11.552 -7.469 1.00 0.00 C ATOM 796 C ASN A 47 8.198 10.919 -6.832 1.00 0.00 C ATOM 797 O ASN A 47 8.217 9.719 -6.553 1.00 0.00 O ATOM 798 CB ASN A 47 6.541 12.786 -6.670 1.00 0.00 C ATOM 799 CG ASN A 47 6.174 12.450 -5.238 1.00 0.00 C ATOM 800 OD1 ASN A 47 6.934 12.722 -4.310 1.00 0.00 O ATOM 801 ND2 ASN A 47 5.001 11.852 -5.053 1.00 0.00 N ATOM 0 H ASN A 47 5.611 10.180 -6.646 1.00 0.00 H new ATOM 0 HA ASN A 47 7.221 11.854 -8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.352 13.514 -6.673 1.00 0.00 H new ATOM 0 HB3 ASN A 47 5.688 13.257 -7.160 1.00 0.00 H new ATOM 0 HD21 ASN A 47 4.700 11.600 -4.112 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.402 11.645 -5.852 1.00 0.00 H new ATOM 808 N THR A 48 9.225 11.729 -6.604 1.00 0.00 N ATOM 809 CA THR A 48 10.461 11.245 -5.999 1.00 0.00 C ATOM 810 C THR A 48 11.173 12.362 -5.245 1.00 0.00 C ATOM 811 O THR A 48 11.618 12.177 -4.112 1.00 0.00 O ATOM 812 CB THR A 48 11.385 10.663 -7.070 1.00 0.00 C ATOM 813 OG1 THR A 48 11.142 11.272 -8.325 1.00 0.00 O ATOM 814 CG2 THR A 48 11.230 9.169 -7.247 1.00 0.00 C ATOM 0 H THR A 48 9.227 12.724 -6.829 1.00 0.00 H new ATOM 0 HA THR A 48 10.204 10.460 -5.288 1.00 0.00 H new ATOM 0 HB THR A 48 12.397 10.867 -6.721 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.743 10.888 -8.997 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.914 8.821 -8.021 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.459 8.666 -6.308 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.205 8.942 -7.540 1.00 0.00 H new ATOM 822 N SER A 49 11.280 13.520 -5.884 1.00 0.00 N ATOM 823 CA SER A 49 11.939 14.671 -5.279 1.00 0.00 C ATOM 824 C SER A 49 11.221 15.966 -5.645 1.00 0.00 C ATOM 825 O SER A 49 11.847 17.016 -5.784 1.00 0.00 O ATOM 826 CB SER A 49 13.400 14.741 -5.725 1.00 0.00 C ATOM 827 OG SER A 49 14.044 15.883 -5.186 1.00 0.00 O ATOM 0 H SER A 49 10.918 13.687 -6.823 1.00 0.00 H new ATOM 0 HA SER A 49 11.902 14.551 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.924 13.840 -5.407 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.450 14.771 -6.813 1.00 0.00 H new ATOM 0 HG SER A 49 13.480 16.672 -5.324 1.00 0.00 H new ATOM 833 N LYS A 50 9.903 15.883 -5.800 1.00 0.00 N ATOM 834 CA LYS A 50 9.101 17.049 -6.149 1.00 0.00 C ATOM 835 C LYS A 50 9.100 18.068 -5.012 1.00 0.00 C ATOM 836 O LYS A 50 9.450 19.230 -5.208 1.00 0.00 O ATOM 837 CB LYS A 50 7.665 16.629 -6.475 1.00 0.00 C ATOM 838 CG LYS A 50 7.400 16.480 -7.966 1.00 0.00 C ATOM 839 CD LYS A 50 6.298 17.417 -8.434 1.00 0.00 C ATOM 840 CE LYS A 50 4.926 16.776 -8.298 1.00 0.00 C ATOM 841 NZ LYS A 50 3.844 17.794 -8.207 1.00 0.00 N ATOM 0 H LYS A 50 9.369 15.021 -5.689 1.00 0.00 H new ATOM 0 HA LYS A 50 9.544 17.514 -7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.450 15.682 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.977 17.367 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.315 16.687 -8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.120 15.450 -8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.330 18.338 -7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.471 17.692 -9.474 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.742 16.127 -9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.907 16.145 -7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.925 17.316 -8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.005 18.398 -7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.845 18.380 -9.066 1.00 0.00 H new ATOM 855 N ASN A 51 8.705 17.620 -3.824 1.00 0.00 N ATOM 856 CA ASN A 51 8.659 18.493 -2.657 1.00 0.00 C ATOM 857 C ASN A 51 7.702 19.658 -2.884 1.00 0.00 C ATOM 858 O ASN A 51 8.121 20.753 -3.264 1.00 0.00 O ATOM 859 CB ASN A 51 10.059 19.022 -2.335 1.00 0.00 C ATOM 860 CG ASN A 51 10.289 19.180 -0.845 1.00 0.00 C ATOM 861 OD1 ASN A 51 10.415 20.296 -0.339 1.00 0.00 O ATOM 862 ND2 ASN A 51 10.344 18.061 -0.133 1.00 0.00 N ATOM 0 H ASN A 51 8.413 16.659 -3.645 1.00 0.00 H new ATOM 0 HA ASN A 51 8.295 17.909 -1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.805 18.341 -2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.202 19.984 -2.826 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.496 18.105 0.875 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.234 17.158 -0.594 1.00 0.00 H new ATOM 869 N ALA A 52 6.418 19.417 -2.650 1.00 0.00 N ATOM 870 CA ALA A 52 5.402 20.447 -2.828 1.00 0.00 C ATOM 871 C ALA A 52 4.304 20.332 -1.776 1.00 0.00 C ATOM 872 O ALA A 52 3.188 20.814 -1.976 1.00 0.00 O ATOM 873 CB ALA A 52 4.805 20.362 -4.226 1.00 0.00 C ATOM 0 H ALA A 52 6.055 18.517 -2.336 1.00 0.00 H new ATOM 0 HA ALA A 52 5.883 21.417 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.048 21.137 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.591 20.506 -4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.348 19.383 -4.367 1.00 0.00 H new ATOM 879 N LYS A 53 4.625 19.690 -0.651 1.00 0.00 N ATOM 880 CA LYS A 53 3.669 19.508 0.444 1.00 0.00 C ATOM 881 C LYS A 53 2.682 18.374 0.153 1.00 0.00 C ATOM 882 O LYS A 53 1.882 18.008 1.014 1.00 0.00 O ATOM 883 CB LYS A 53 2.902 20.806 0.709 1.00 0.00 C ATOM 884 CG LYS A 53 2.761 21.140 2.186 1.00 0.00 C ATOM 885 CD LYS A 53 2.393 22.599 2.395 1.00 0.00 C ATOM 886 CE LYS A 53 3.627 23.457 2.622 1.00 0.00 C ATOM 887 NZ LYS A 53 3.923 23.631 4.071 1.00 0.00 N ATOM 0 H LYS A 53 5.544 19.285 -0.474 1.00 0.00 H new ATOM 0 HA LYS A 53 4.242 19.239 1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.411 21.628 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.909 20.728 0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.997 20.504 2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.697 20.923 2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.848 22.966 1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.724 22.688 3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.484 22.998 2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.480 24.434 2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.771 24.222 4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.116 24.092 4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.089 22.701 4.506 1.00 0.00 H new ATOM 901 N PHE A 54 2.740 17.822 -1.056 1.00 0.00 N ATOM 902 CA PHE A 54 1.847 16.735 -1.440 1.00 0.00 C ATOM 903 C PHE A 54 2.609 15.633 -2.161 1.00 0.00 C ATOM 904 O PHE A 54 3.156 15.847 -3.242 1.00 0.00 O ATOM 905 CB PHE A 54 0.720 17.258 -2.335 1.00 0.00 C ATOM 906 CG PHE A 54 0.186 18.597 -1.915 1.00 0.00 C ATOM 907 CD1 PHE A 54 -0.373 18.771 -0.658 1.00 0.00 C ATOM 908 CD2 PHE A 54 0.245 19.682 -2.775 1.00 0.00 C ATOM 909 CE1 PHE A 54 -0.865 20.003 -0.269 1.00 0.00 C ATOM 910 CE2 PHE A 54 -0.246 20.916 -2.390 1.00 0.00 C ATOM 911 CZ PHE A 54 -0.801 21.076 -1.135 1.00 0.00 C ATOM 0 H PHE A 54 3.394 18.109 -1.784 1.00 0.00 H new ATOM 0 HA PHE A 54 1.415 16.320 -0.530 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.085 17.328 -3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.096 16.535 -2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.425 17.935 0.024 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.679 19.563 -3.757 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.299 20.126 0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.196 21.754 -3.070 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.184 22.039 -0.832 1.00 0.00 H new ATOM 921 N TYR A 55 2.643 14.451 -1.554 1.00 0.00 N ATOM 922 CA TYR A 55 3.338 13.317 -2.143 1.00 0.00 C ATOM 923 C TYR A 55 2.349 12.236 -2.561 1.00 0.00 C ATOM 924 O TYR A 55 1.751 11.566 -1.720 1.00 0.00 O ATOM 925 CB TYR A 55 4.351 12.742 -1.152 1.00 0.00 C ATOM 926 CG TYR A 55 5.343 13.759 -0.639 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.927 14.830 0.144 1.00 0.00 C ATOM 928 CD2 TYR A 55 6.696 13.653 -0.938 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.831 15.763 0.614 1.00 0.00 C ATOM 930 CE2 TYR A 55 7.605 14.582 -0.472 1.00 0.00 C ATOM 931 CZ TYR A 55 7.168 15.636 0.304 1.00 0.00 C ATOM 932 OH TYR A 55 8.071 16.563 0.771 1.00 0.00 O ATOM 0 H TYR A 55 2.198 14.256 -0.657 1.00 0.00 H new ATOM 0 HA TYR A 55 3.867 13.665 -3.030 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.815 12.312 -0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.894 11.928 -1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.880 14.934 0.389 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.042 12.830 -1.545 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.491 16.589 1.222 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.653 14.484 -0.714 1.00 0.00 H new ATOM 0 HH TYR A 55 8.943 16.134 0.900 1.00 0.00 H new ATOM 942 N SER A 56 2.184 12.073 -3.866 1.00 0.00 N ATOM 943 CA SER A 56 1.268 11.076 -4.406 1.00 0.00 C ATOM 944 C SER A 56 1.922 9.699 -4.452 1.00 0.00 C ATOM 945 O SER A 56 3.111 9.574 -4.748 1.00 0.00 O ATOM 946 CB SER A 56 0.805 11.482 -5.806 1.00 0.00 C ATOM 947 OG SER A 56 0.005 12.650 -5.762 1.00 0.00 O ATOM 0 H SER A 56 2.674 12.620 -4.574 1.00 0.00 H new ATOM 0 HA SER A 56 0.402 11.023 -3.746 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.672 11.656 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.238 10.666 -6.255 1.00 0.00 H new ATOM 0 HG SER A 56 -0.276 12.888 -6.670 1.00 0.00 H new ATOM 953 N PHE A 57 1.136 8.668 -4.160 1.00 0.00 N ATOM 954 CA PHE A 57 1.635 7.296 -4.170 1.00 0.00 C ATOM 955 C PHE A 57 0.526 6.318 -4.540 1.00 0.00 C ATOM 956 O PHE A 57 -0.593 6.410 -4.034 1.00 0.00 O ATOM 957 CB PHE A 57 2.211 6.930 -2.801 1.00 0.00 C ATOM 958 CG PHE A 57 3.405 7.752 -2.414 1.00 0.00 C ATOM 959 CD1 PHE A 57 4.650 7.486 -2.960 1.00 0.00 C ATOM 960 CD2 PHE A 57 3.284 8.791 -1.505 1.00 0.00 C ATOM 961 CE1 PHE A 57 5.753 8.241 -2.605 1.00 0.00 C ATOM 962 CE2 PHE A 57 4.382 9.548 -1.146 1.00 0.00 C ATOM 963 CZ PHE A 57 5.618 9.273 -1.698 1.00 0.00 C ATOM 0 H PHE A 57 0.150 8.756 -3.913 1.00 0.00 H new ATOM 0 HA PHE A 57 2.423 7.229 -4.920 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.435 7.052 -2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.491 5.876 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.761 6.680 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.319 9.011 -1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.719 8.024 -3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.274 10.354 -0.435 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.478 9.865 -1.420 1.00 0.00 H new ATOM 973 N ASN A 58 0.843 5.375 -5.424 1.00 0.00 N ATOM 974 CA ASN A 58 -0.130 4.378 -5.854 1.00 0.00 C ATOM 975 C ASN A 58 0.075 3.069 -5.101 1.00 0.00 C ATOM 976 O ASN A 58 1.150 2.819 -4.558 1.00 0.00 O ATOM 977 CB ASN A 58 -0.020 4.142 -7.361 1.00 0.00 C ATOM 978 CG ASN A 58 -1.374 4.136 -8.045 1.00 0.00 C ATOM 979 OD1 ASN A 58 -2.278 3.402 -7.649 1.00 0.00 O ATOM 980 ND2 ASN A 58 -1.519 4.959 -9.077 1.00 0.00 N ATOM 0 H ASN A 58 1.763 5.282 -5.854 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.128 4.754 -5.630 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.604 4.919 -7.803 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.480 3.190 -7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.408 5.000 -9.576 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.742 5.550 -9.371 1.00 0.00 H new ATOM 987 N VAL A 59 -0.962 2.239 -5.067 1.00 0.00 N ATOM 988 CA VAL A 59 -0.889 0.959 -4.371 1.00 0.00 C ATOM 989 C VAL A 59 -1.507 -0.161 -5.202 1.00 0.00 C ATOM 990 O VAL A 59 -2.718 -0.190 -5.421 1.00 0.00 O ATOM 991 CB VAL A 59 -1.602 1.018 -3.008 1.00 0.00 C ATOM 992 CG1 VAL A 59 -1.252 -0.201 -2.168 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.248 2.302 -2.271 1.00 0.00 C ATOM 0 H VAL A 59 -1.860 2.428 -5.512 1.00 0.00 H new ATOM 0 HA VAL A 59 0.169 0.750 -4.214 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.678 1.014 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.765 -0.141 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.564 -1.105 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.175 -0.231 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.762 2.324 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.171 2.342 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.557 3.161 -2.867 1.00 0.00 H new ATOM 1003 N SER A 60 -0.667 -1.087 -5.655 1.00 0.00 N ATOM 1004 CA SER A 60 -1.129 -2.215 -6.454 1.00 0.00 C ATOM 1005 C SER A 60 -1.122 -3.497 -5.629 1.00 0.00 C ATOM 1006 O SER A 60 -0.063 -4.058 -5.346 1.00 0.00 O ATOM 1007 CB SER A 60 -0.250 -2.386 -7.693 1.00 0.00 C ATOM 1008 OG SER A 60 0.298 -1.147 -8.106 1.00 0.00 O ATOM 0 H SER A 60 0.338 -1.077 -5.482 1.00 0.00 H new ATOM 0 HA SER A 60 -2.151 -2.011 -6.772 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.555 -3.089 -7.477 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.839 -2.815 -8.504 1.00 0.00 H new ATOM 0 HG SER A 60 0.857 -1.285 -8.899 1.00 0.00 H new ATOM 1014 N MET A 61 -2.308 -3.952 -5.238 1.00 0.00 N ATOM 1015 CA MET A 61 -2.435 -5.165 -4.438 1.00 0.00 C ATOM 1016 C MET A 61 -3.448 -6.122 -5.058 1.00 0.00 C ATOM 1017 O MET A 61 -4.392 -5.698 -5.726 1.00 0.00 O ATOM 1018 CB MET A 61 -2.853 -4.812 -3.008 1.00 0.00 C ATOM 1019 CG MET A 61 -3.122 -6.025 -2.130 1.00 0.00 C ATOM 1020 SD MET A 61 -1.642 -7.013 -1.838 1.00 0.00 S ATOM 1021 CE MET A 61 -2.359 -8.642 -1.627 1.00 0.00 C ATOM 0 H MET A 61 -3.194 -3.499 -5.462 1.00 0.00 H new ATOM 0 HA MET A 61 -1.465 -5.661 -4.414 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.070 -4.209 -2.549 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.751 -4.195 -3.044 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.528 -5.694 -1.174 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.883 -6.648 -2.601 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.563 -9.380 -1.527 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.979 -8.653 -0.731 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.972 -8.885 -2.495 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.247 -7.415 -4.831 1.00 0.00 N ATOM 1032 CA GLU A 62 -4.144 -8.433 -5.363 1.00 0.00 C ATOM 1033 C GLU A 62 -5.425 -8.508 -4.541 1.00 0.00 C ATOM 1034 O GLU A 62 -5.456 -9.119 -3.473 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.451 -9.797 -5.379 1.00 0.00 C ATOM 1036 CG GLU A 62 -2.962 -10.216 -6.756 1.00 0.00 C ATOM 1037 CD GLU A 62 -1.902 -11.298 -6.695 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -0.705 -10.952 -6.612 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -2.269 -12.491 -6.731 1.00 0.00 O ATOM 0 H GLU A 62 -2.470 -7.783 -4.282 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.404 -8.156 -6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.604 -9.773 -4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.143 -10.551 -5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.807 -10.574 -7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.558 -9.346 -7.274 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.482 -7.880 -5.046 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.767 -7.875 -4.362 1.00 0.00 C ATOM 1048 C VAL A 63 -8.564 -9.132 -4.692 1.00 0.00 C ATOM 1049 O VAL A 63 -8.544 -9.610 -5.825 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.599 -6.634 -4.741 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.906 -6.602 -3.962 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.798 -5.364 -4.502 1.00 0.00 C ATOM 0 H VAL A 63 -6.472 -7.368 -5.928 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.561 -7.849 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.840 -6.693 -5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.477 -5.718 -4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.486 -7.497 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.692 -6.569 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.400 -4.497 -4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.525 -5.299 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.894 -5.384 -5.111 1.00 0.00 H new ATOM 1062 N SER A 64 -9.264 -9.661 -3.694 1.00 0.00 N ATOM 1063 CA SER A 64 -10.071 -10.863 -3.875 1.00 0.00 C ATOM 1064 C SER A 64 -11.557 -10.550 -3.722 1.00 0.00 C ATOM 1065 O SER A 64 -12.403 -11.182 -4.352 1.00 0.00 O ATOM 1066 CB SER A 64 -9.659 -11.936 -2.867 1.00 0.00 C ATOM 1067 OG SER A 64 -8.673 -12.796 -3.412 1.00 0.00 O ATOM 0 H SER A 64 -9.289 -9.276 -2.750 1.00 0.00 H new ATOM 0 HA SER A 64 -9.899 -11.237 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.274 -11.462 -1.964 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.532 -12.519 -2.574 1.00 0.00 H new ATOM 0 HG SER A 64 -8.425 -13.472 -2.747 1.00 0.00 H new ATOM 1073 N ASN A 65 -11.865 -9.569 -2.880 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.247 -9.170 -2.642 1.00 0.00 C ATOM 1075 C ASN A 65 -13.312 -7.982 -1.686 1.00 0.00 C ATOM 1076 O ASN A 65 -12.283 -7.431 -1.296 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.058 -10.343 -2.076 1.00 0.00 C ATOM 1078 CG ASN A 65 -13.215 -11.300 -1.251 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -13.267 -12.515 -1.444 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -12.434 -10.756 -0.324 1.00 0.00 N ATOM 0 H ASN A 65 -11.175 -9.035 -2.351 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.679 -8.872 -3.597 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.867 -9.954 -1.458 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.520 -10.890 -2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.847 -11.350 0.261 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.422 -9.744 -0.197 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.527 -7.594 -1.313 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.729 -6.469 -0.403 1.00 0.00 C ATOM 1089 C GLU A 66 -13.917 -6.648 0.878 1.00 0.00 C ATOM 1090 O GLU A 66 -13.526 -5.670 1.516 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.212 -6.324 -0.062 1.00 0.00 C ATOM 1092 CG GLU A 66 -16.850 -7.608 0.444 1.00 0.00 C ATOM 1093 CD GLU A 66 -18.096 -7.986 -0.332 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -19.052 -7.183 -0.346 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -18.116 -9.086 -0.924 1.00 0.00 O ATOM 0 H GLU A 66 -15.388 -8.042 -1.626 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.386 -5.564 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.328 -5.548 0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.749 -5.987 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.125 -8.420 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.104 -7.492 1.498 1.00 0.00 H new ATOM 1102 N SER A 67 -13.667 -7.900 1.247 1.00 0.00 N ATOM 1103 CA SER A 67 -12.900 -8.205 2.451 1.00 0.00 C ATOM 1104 C SER A 67 -11.537 -7.520 2.412 1.00 0.00 C ATOM 1105 O SER A 67 -11.227 -6.683 3.261 1.00 0.00 O ATOM 1106 CB SER A 67 -12.719 -9.716 2.598 1.00 0.00 C ATOM 1107 OG SER A 67 -12.772 -10.106 3.959 1.00 0.00 O ATOM 0 H SER A 67 -13.984 -8.720 0.730 1.00 0.00 H new ATOM 0 HA SER A 67 -13.454 -7.828 3.311 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.497 -10.235 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.763 -10.014 2.168 1.00 0.00 H new ATOM 0 HG SER A 67 -12.655 -11.077 4.026 1.00 0.00 H new ATOM 1113 N GLU A 68 -10.729 -7.877 1.421 1.00 0.00 N ATOM 1114 CA GLU A 68 -9.401 -7.290 1.276 1.00 0.00 C ATOM 1115 C GLU A 68 -9.507 -5.791 1.027 1.00 0.00 C ATOM 1116 O GLU A 68 -8.858 -4.995 1.702 1.00 0.00 O ATOM 1117 CB GLU A 68 -8.628 -7.950 0.129 1.00 0.00 C ATOM 1118 CG GLU A 68 -8.930 -9.431 -0.048 1.00 0.00 C ATOM 1119 CD GLU A 68 -7.688 -10.247 -0.354 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -6.873 -9.796 -1.187 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -7.530 -11.334 0.237 1.00 0.00 O ATOM 0 H GLU A 68 -10.968 -8.567 0.709 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.858 -7.463 2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.860 -7.429 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.560 -7.826 0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.397 -9.814 0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.651 -9.557 -0.856 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.335 -5.415 0.053 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.535 -4.008 -0.298 1.00 0.00 C ATOM 1130 C ARG A 69 -10.655 -3.134 0.948 1.00 0.00 C ATOM 1131 O ARG A 69 -10.089 -2.044 1.010 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.786 -3.854 -1.164 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.919 -2.481 -1.800 1.00 0.00 C ATOM 1134 CD ARG A 69 -13.377 -2.078 -1.957 1.00 0.00 C ATOM 1135 NE ARG A 69 -13.561 -1.086 -3.013 1.00 0.00 N ATOM 1136 CZ ARG A 69 -13.200 0.190 -2.903 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -12.635 0.632 -1.785 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -13.403 1.025 -3.912 1.00 0.00 N ATOM 0 H ARG A 69 -10.881 -6.068 -0.510 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.662 -3.677 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.769 -4.609 -1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.667 -4.049 -0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.401 -1.743 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.434 -2.482 -2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.975 -2.961 -2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.745 -1.675 -1.013 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.992 -1.389 -3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.476 -0.008 -1.006 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.360 1.611 -1.705 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.836 0.689 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.126 2.003 -3.828 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.393 -3.624 1.938 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.579 -2.888 3.183 1.00 0.00 C ATOM 1154 C ASN A 70 -10.272 -2.810 3.962 1.00 0.00 C ATOM 1155 O ASN A 70 -9.986 -1.810 4.619 1.00 0.00 O ATOM 1156 CB ASN A 70 -12.661 -3.552 4.037 1.00 0.00 C ATOM 1157 CG ASN A 70 -14.053 -3.345 3.472 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -14.289 -2.417 2.698 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -14.983 -4.212 3.857 1.00 0.00 N ATOM 0 H ASN A 70 -11.871 -4.525 1.903 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.897 -1.875 2.937 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.457 -4.620 4.111 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.619 -3.149 5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.938 -4.124 3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.742 -4.966 4.500 1.00 0.00 H new ATOM 1166 N GLU A 71 -9.479 -3.874 3.877 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.196 -3.928 4.567 1.00 0.00 C ATOM 1168 C GLU A 71 -7.149 -3.094 3.833 1.00 0.00 C ATOM 1169 O GLU A 71 -6.352 -2.394 4.458 1.00 0.00 O ATOM 1170 CB GLU A 71 -7.719 -5.376 4.690 1.00 0.00 C ATOM 1171 CG GLU A 71 -6.877 -5.639 5.927 1.00 0.00 C ATOM 1172 CD GLU A 71 -7.601 -6.482 6.958 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -8.058 -7.589 6.604 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -7.712 -6.035 8.119 1.00 0.00 O ATOM 0 H GLU A 71 -9.703 -4.710 3.337 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.330 -3.513 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.587 -6.035 4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.138 -5.634 3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.956 -6.142 5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.592 -4.688 6.377 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.157 -3.174 2.505 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.208 -2.424 1.691 1.00 0.00 C ATOM 1183 C ILE A 72 -6.400 -0.921 1.871 1.00 0.00 C ATOM 1184 O ILE A 72 -5.456 -0.144 1.730 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.341 -2.767 0.192 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.468 -4.282 -0.006 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -5.149 -2.218 -0.578 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.174 -4.747 -1.418 1.00 0.00 C ATOM 0 H ILE A 72 -7.809 -3.749 1.972 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.213 -2.710 2.031 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.247 -2.300 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.787 -4.786 0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.478 -4.590 0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.253 -2.466 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.108 -1.135 -0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.231 -2.660 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.286 -5.830 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.871 -4.273 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.154 -4.473 -1.686 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.630 -0.519 2.180 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.944 0.892 2.376 1.00 0.00 C ATOM 1202 C PHE A 73 -7.488 1.372 3.751 1.00 0.00 C ATOM 1203 O PHE A 73 -6.776 2.368 3.866 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.448 1.126 2.217 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.804 2.548 1.892 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -9.717 3.536 2.859 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -10.228 2.896 0.619 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -10.045 4.846 2.563 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -10.558 4.204 0.318 1.00 0.00 C ATOM 1210 CZ PHE A 73 -10.466 5.180 1.290 1.00 0.00 C ATOM 0 H PHE A 73 -8.423 -1.149 2.300 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.408 1.464 1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.827 0.476 1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.952 0.836 3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.389 3.280 3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.301 2.137 -0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.972 5.607 3.326 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.888 4.462 -0.677 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.723 6.203 1.056 1.00 0.00 H new ATOM 1220 N GLN A 74 -7.904 0.657 4.790 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.541 1.014 6.158 1.00 0.00 C ATOM 1222 C GLN A 74 -6.043 0.826 6.395 1.00 0.00 C ATOM 1223 O GLN A 74 -5.455 1.492 7.248 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.336 0.171 7.157 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.022 -1.316 7.088 1.00 0.00 C ATOM 1226 CD GLN A 74 -7.983 -1.967 8.457 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -7.984 -1.285 9.483 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -7.951 -3.295 8.480 1.00 0.00 N ATOM 0 H GLN A 74 -8.492 -0.173 4.712 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.784 2.066 6.306 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.132 0.530 8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.401 0.317 6.976 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.772 -1.814 6.474 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.061 -1.458 6.594 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.952 -3.820 7.606 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.926 -3.789 9.372 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.435 -0.082 5.640 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.008 -0.353 5.774 1.00 0.00 C ATOM 1239 C LYS A 75 -3.177 0.828 5.283 1.00 0.00 C ATOM 1240 O LYS A 75 -2.226 1.246 5.942 1.00 0.00 O ATOM 1241 CB LYS A 75 -3.633 -1.615 4.996 1.00 0.00 C ATOM 1242 CG LYS A 75 -3.833 -2.899 5.783 1.00 0.00 C ATOM 1243 CD LYS A 75 -2.689 -3.139 6.758 1.00 0.00 C ATOM 1244 CE LYS A 75 -3.147 -3.930 7.974 1.00 0.00 C ATOM 1245 NZ LYS A 75 -2.370 -5.191 8.140 1.00 0.00 N ATOM 0 H LYS A 75 -5.907 -0.642 4.930 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.792 -0.508 6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.230 -1.661 4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.589 -1.546 4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.774 -2.849 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.909 -3.741 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.887 -3.678 6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.277 -2.182 7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.039 -3.316 8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.207 -4.166 7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.712 -5.701 8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.493 -5.788 7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.362 -4.965 8.259 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.542 1.362 4.122 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.829 2.494 3.544 1.00 0.00 C ATOM 1261 C ILE A 76 -3.119 3.776 4.318 1.00 0.00 C ATOM 1262 O ILE A 76 -2.253 4.640 4.456 1.00 0.00 O ATOM 1263 CB ILE A 76 -3.200 2.696 2.061 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -2.334 3.791 1.437 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.677 3.035 1.920 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -1.027 3.277 0.870 1.00 0.00 C ATOM 0 H ILE A 76 -4.328 1.029 3.563 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.765 2.269 3.611 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.011 1.764 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.898 4.281 0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.121 4.549 2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.919 3.174 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.278 2.221 2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.893 3.953 2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.464 4.107 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.443 2.813 1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.232 2.541 0.093 1.00 0.00 H new ATOM 1278 N SER A 77 -4.343 3.892 4.822 1.00 0.00 N ATOM 1279 CA SER A 77 -4.747 5.067 5.584 1.00 0.00 C ATOM 1280 C SER A 77 -4.643 4.803 7.082 1.00 0.00 C ATOM 1281 O SER A 77 -5.375 5.391 7.879 1.00 0.00 O ATOM 1282 CB SER A 77 -6.179 5.468 5.223 1.00 0.00 C ATOM 1283 OG SER A 77 -6.329 5.616 3.821 1.00 0.00 O ATOM 0 H SER A 77 -5.072 3.187 4.716 1.00 0.00 H new ATOM 0 HA SER A 77 -4.074 5.885 5.329 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.875 4.713 5.589 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.434 6.404 5.720 1.00 0.00 H new ATOM 0 HG SER A 77 -7.249 5.395 3.565 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.727 3.916 7.460 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.526 3.571 8.863 1.00 0.00 C ATOM 1291 C GLN A 78 -3.200 4.813 9.691 1.00 0.00 C ATOM 1292 O GLN A 78 -3.863 5.094 10.689 1.00 0.00 O ATOM 1293 CB GLN A 78 -2.401 2.545 9.000 1.00 0.00 C ATOM 1294 CG GLN A 78 -2.646 1.517 10.094 1.00 0.00 C ATOM 1295 CD GLN A 78 -2.559 2.115 11.486 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -3.544 2.146 12.222 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -1.377 2.597 11.850 1.00 0.00 N ATOM 0 H GLN A 78 -3.112 3.423 6.813 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.453 3.139 9.240 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.274 2.028 8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.467 3.067 9.206 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.631 1.071 9.955 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.916 0.713 10.002 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.587 2.550 11.207 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.259 3.014 12.773 1.00 0.00 H new ATOM 1306 N LEU A 79 -2.176 5.547 9.271 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.763 6.756 9.974 1.00 0.00 C ATOM 1308 C LEU A 79 -2.699 7.920 9.660 1.00 0.00 C ATOM 1309 O LEU A 79 -3.701 7.752 8.965 1.00 0.00 O ATOM 1310 CB LEU A 79 -0.326 7.125 9.599 1.00 0.00 C ATOM 1311 CG LEU A 79 0.709 6.022 9.834 1.00 0.00 C ATOM 1312 CD1 LEU A 79 2.111 6.540 9.560 1.00 0.00 C ATOM 1313 CD2 LEU A 79 0.606 5.488 11.256 1.00 0.00 C ATOM 0 H LEU A 79 -1.616 5.326 8.447 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.812 6.556 11.044 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.302 7.406 8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.032 8.005 10.171 1.00 0.00 H new ATOM 0 HG LEU A 79 0.503 5.204 9.143 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.834 5.742 9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.179 6.874 8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.327 7.375 10.226 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.349 4.705 11.405 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.786 6.298 11.963 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.391 5.078 11.420 1.00 0.00 H new ATOM 1325 N ASP A 80 -2.365 9.097 10.178 1.00 0.00 N ATOM 1326 CA ASP A 80 -3.177 10.288 9.955 1.00 0.00 C ATOM 1327 C ASP A 80 -2.471 11.270 9.023 1.00 0.00 C ATOM 1328 O ASP A 80 -2.693 12.478 9.095 1.00 0.00 O ATOM 1329 CB ASP A 80 -3.494 10.970 11.290 1.00 0.00 C ATOM 1330 CG ASP A 80 -4.924 10.732 11.734 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -5.430 9.608 11.527 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -5.537 11.668 12.290 1.00 0.00 O ATOM 0 H ASP A 80 -1.538 9.252 10.755 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.108 9.977 9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.812 10.599 12.055 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.318 12.042 11.198 1.00 0.00 H new ATOM 1337 N LYS A 81 -1.622 10.743 8.145 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.890 11.577 7.198 1.00 0.00 C ATOM 1339 C LYS A 81 -1.676 11.737 5.901 1.00 0.00 C ATOM 1340 O LYS A 81 -2.087 12.842 5.545 1.00 0.00 O ATOM 1341 CB LYS A 81 0.483 10.968 6.904 1.00 0.00 C ATOM 1342 CG LYS A 81 1.247 10.557 8.153 1.00 0.00 C ATOM 1343 CD LYS A 81 2.104 11.697 8.682 1.00 0.00 C ATOM 1344 CE LYS A 81 2.248 11.630 10.194 1.00 0.00 C ATOM 1345 NZ LYS A 81 1.063 12.200 10.893 1.00 0.00 N ATOM 0 H LYS A 81 -1.425 9.745 8.070 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.753 12.561 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.355 10.096 6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.079 11.689 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.544 10.241 8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.880 9.699 7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.090 11.657 8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.658 12.651 8.400 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.385 10.593 10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.143 12.172 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.202 12.135 11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.947 13.197 10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.212 11.667 10.624 1.00 0.00 H new ATOM 1359 N VAL A 82 -1.880 10.623 5.201 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.617 10.622 3.940 1.00 0.00 C ATOM 1361 C VAL A 82 -3.878 11.481 4.024 1.00 0.00 C ATOM 1362 O VAL A 82 -4.538 11.533 5.062 1.00 0.00 O ATOM 1363 CB VAL A 82 -3.015 9.193 3.525 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -1.779 8.334 3.303 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -3.927 8.566 4.570 1.00 0.00 C ATOM 0 H VAL A 82 -1.543 9.704 5.488 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.948 11.044 3.190 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.563 9.250 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.082 7.329 3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.168 8.773 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.200 8.284 4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.197 7.557 4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.408 8.524 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.830 9.168 4.673 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.205 12.149 2.923 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.383 13.005 2.869 1.00 0.00 C ATOM 1377 C VAL A 83 -6.370 12.509 1.816 1.00 0.00 C ATOM 1378 O VAL A 83 -7.557 12.343 2.093 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.997 14.464 2.557 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -6.229 15.356 2.531 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -3.984 14.972 3.570 1.00 0.00 C ATOM 0 H VAL A 83 -3.670 12.114 2.055 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.856 12.966 3.850 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.540 14.494 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.932 16.381 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.917 15.003 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.722 15.324 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.721 16.004 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.415 14.925 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.088 14.352 3.531 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.869 12.274 0.608 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.707 11.795 -0.485 1.00 0.00 C ATOM 1393 C GLN A 84 -6.462 10.314 -0.749 1.00 0.00 C ATOM 1394 O GLN A 84 -5.401 9.927 -1.240 1.00 0.00 O ATOM 1395 CB GLN A 84 -6.432 12.603 -1.756 1.00 0.00 C ATOM 1396 CG GLN A 84 -7.504 12.442 -2.822 1.00 0.00 C ATOM 1397 CD GLN A 84 -6.971 12.675 -4.223 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -5.766 12.809 -4.428 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -7.872 12.726 -5.198 1.00 0.00 N ATOM 0 H GLN A 84 -4.888 12.407 0.361 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.750 11.927 -0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.346 13.658 -1.495 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.471 12.298 -2.170 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.926 11.439 -2.760 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.316 13.142 -2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.862 12.610 -4.984 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.573 12.881 -6.161 1.00 0.00 H new ATOM 1408 N THR A 85 -7.449 9.488 -0.417 1.00 0.00 N ATOM 1409 CA THR A 85 -7.340 8.048 -0.617 1.00 0.00 C ATOM 1410 C THR A 85 -8.542 7.511 -1.388 1.00 0.00 C ATOM 1411 O THR A 85 -9.687 7.672 -0.964 1.00 0.00 O ATOM 1412 CB THR A 85 -7.224 7.331 0.730 1.00 0.00 C ATOM 1413 OG1 THR A 85 -7.406 5.936 0.573 1.00 0.00 O ATOM 1414 CG2 THR A 85 -8.228 7.815 1.754 1.00 0.00 C ATOM 0 H THR A 85 -8.333 9.791 -0.008 1.00 0.00 H new ATOM 0 HA THR A 85 -6.441 7.857 -1.202 1.00 0.00 H new ATOM 0 HB THR A 85 -6.222 7.559 1.093 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.318 5.694 0.836 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.091 7.266 2.686 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.079 8.879 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.238 7.649 1.380 1.00 0.00 H new ATOM 1422 N LEU A 86 -8.274 6.874 -2.524 1.00 0.00 N ATOM 1423 CA LEU A 86 -9.334 6.314 -3.354 1.00 0.00 C ATOM 1424 C LEU A 86 -9.619 4.866 -2.968 1.00 0.00 C ATOM 1425 O LEU A 86 -10.809 4.490 -2.923 1.00 0.00 O ATOM 1426 CB LEU A 86 -8.948 6.399 -4.834 1.00 0.00 C ATOM 1427 CG LEU A 86 -9.658 7.499 -5.625 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -9.227 7.469 -7.084 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -11.167 7.349 -5.509 1.00 0.00 C ATOM 1430 OXT LEU A 86 -8.648 4.121 -2.714 1.00 0.00 O ATOM 0 H LEU A 86 -7.332 6.733 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.240 6.897 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.872 6.558 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.160 5.439 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.376 8.464 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.742 8.258 -7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.150 7.626 -7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.480 6.502 -7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.656 8.140 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.468 6.379 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.460 7.421 -4.462 1.00 0.00 H new TER 1442 LEU A 86