USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 804 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 57 TYR OH : rot 103:sc= 0.838 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -113:sc= 2.75 (180deg=0.119) USER MOD Set 2.1: A 30 GLN : amide:sc= 2.16 K(o=2.2,f=-8.4!) USER MOD Set 2.2: A 41 THR OG1 : rot -73:sc= 0.0669 USER MOD Single : A 0 SER OG : rot 2:sc= 2.22 USER MOD Single : A 9 LYS NZ :NH3+ 151:sc= 1.15 (180deg=0.858) USER MOD Single : A -1 GLY N :NH3+ 158:sc= 1.13 (180deg=0.978) USER MOD Single : A 11 LYS NZ :NH3+ -128:sc= 0.266 (180deg=-0.223) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0124) USER MOD Single : A 19 ASN : amide:sc= -0.0997 X(o=-0.1,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc=-0.00699 (180deg=-0.133) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0975) USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= 0.734 (180deg=0.715) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 0.974 (180deg=0.742) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0194 USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 1.21 (180deg=0.965) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= -0.0244 (180deg=-0.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 158:sc= 0.28 USER MOD Single : A 50 SER OG : rot -12:sc= 1.01 USER MOD Single : A 53 LYS NZ :NH3+ -115:sc= 0.762 (180deg=0.138) USER MOD Single : A 56 TYR OH : rot -130:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.14) USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.234) USER MOD Single : A 74 LYS NZ :NH3+ -174:sc= 1.8 (180deg=1.78) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -178:sc= -4.62! (180deg=-5.02!) USER MOD Single : A 85 LYS NZ :NH3+ 162:sc= 2 (180deg=1.39) USER MOD Single : A 88 LYS NZ :NH3+ -138:sc= 0.243 (180deg=-0.103) USER MOD Single : A 96 TYR OH : rot 80:sc= -2.83! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 7.103 8.463 4.037 1.00 0.00 N ATOM 2 CA GLY A -1 8.377 7.707 3.925 1.00 0.00 C ATOM 3 C GLY A -1 8.148 6.217 3.797 1.00 0.00 C ATOM 4 O GLY A -1 7.065 5.788 3.412 1.00 0.00 O ATOM 0 H1 GLY A -1 7.284 9.384 4.484 1.00 0.00 H new ATOM 0 H2 GLY A -1 6.703 8.611 3.089 1.00 0.00 H new ATOM 0 H3 GLY A -1 6.429 7.924 4.617 1.00 0.00 H new ATOM 0 HA2 GLY A -1 8.934 8.063 3.058 1.00 0.00 H new ATOM 0 HA3 GLY A -1 8.993 7.904 4.802 1.00 0.00 H new ATOM 10 N SER A 0 9.175 5.429 4.097 1.00 0.00 N ATOM 11 CA SER A 0 9.052 3.974 4.102 1.00 0.00 C ATOM 12 C SER A 0 10.007 3.351 5.118 1.00 0.00 C ATOM 13 O SER A 0 9.703 2.311 5.695 1.00 0.00 O ATOM 14 CB SER A 0 9.291 3.389 2.703 1.00 0.00 C ATOM 15 OG SER A 0 10.515 3.836 2.154 1.00 0.00 O ATOM 0 H SER A 0 10.104 5.773 4.340 1.00 0.00 H new ATOM 0 HA SER A 0 8.031 3.729 4.396 1.00 0.00 H new ATOM 0 HB2 SER A 0 9.293 2.300 2.759 1.00 0.00 H new ATOM 0 HB3 SER A 0 8.471 3.673 2.044 1.00 0.00 H new ATOM 0 HG SER A 0 10.972 4.413 2.801 1.00 0.00 H new ATOM 21 N LEU A 1 11.169 4.002 5.303 1.00 0.00 N ATOM 22 CA LEU A 1 12.195 3.630 6.303 1.00 0.00 C ATOM 23 C LEU A 1 12.503 2.128 6.327 1.00 0.00 C ATOM 24 O LEU A 1 13.029 1.606 7.310 1.00 0.00 O ATOM 25 CB LEU A 1 11.811 4.112 7.720 1.00 0.00 C ATOM 26 CG LEU A 1 10.868 3.205 8.535 1.00 0.00 C ATOM 27 CD1 LEU A 1 11.222 3.280 10.009 1.00 0.00 C ATOM 28 CD2 LEU A 1 9.409 3.591 8.342 1.00 0.00 C ATOM 0 H LEU A 1 11.430 4.819 4.751 1.00 0.00 H new ATOM 0 HA LEU A 1 13.105 4.141 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.729 4.248 8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.344 5.093 7.629 1.00 0.00 H new ATOM 0 HG LEU A 1 10.998 2.185 8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 1 10.551 2.636 10.578 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.251 2.950 10.153 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.119 4.308 10.356 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.776 2.929 8.933 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.259 4.621 8.667 1.00 0.00 H new ATOM 0 HD23 LEU A 1 9.145 3.501 7.288 1.00 0.00 H new ATOM 40 N ILE A 2 12.240 1.448 5.230 1.00 0.00 N ATOM 41 CA ILE A 2 12.330 0.002 5.204 1.00 0.00 C ATOM 42 C ILE A 2 13.415 -0.452 4.221 1.00 0.00 C ATOM 43 O ILE A 2 13.277 -1.449 3.511 1.00 0.00 O ATOM 44 CB ILE A 2 10.943 -0.596 4.858 1.00 0.00 C ATOM 45 CG1 ILE A 2 10.897 -2.089 5.181 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.557 -0.329 3.410 1.00 0.00 C ATOM 47 CD1 ILE A 2 10.959 -2.371 6.666 1.00 0.00 C ATOM 0 H ILE A 2 11.962 1.873 4.345 1.00 0.00 H new ATOM 0 HA ILE A 2 12.620 -0.365 6.188 1.00 0.00 H new ATOM 0 HB ILE A 2 10.204 -0.094 5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 2 9.981 -2.516 4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 2 11.730 -2.589 4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.578 -0.764 3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.519 0.746 3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.297 -0.777 2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 2 10.923 -3.447 6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 2 11.888 -1.971 7.074 1.00 0.00 H new ATOM 0 HD13 ILE A 2 10.112 -1.898 7.162 1.00 0.00 H new ATOM 59 N LEU A 3 14.519 0.282 4.208 1.00 0.00 N ATOM 60 CA LEU A 3 15.611 -0.002 3.285 1.00 0.00 C ATOM 61 C LEU A 3 16.651 -0.914 3.910 1.00 0.00 C ATOM 62 O LEU A 3 17.176 -1.804 3.237 1.00 0.00 O ATOM 63 CB LEU A 3 16.302 1.288 2.818 1.00 0.00 C ATOM 64 CG LEU A 3 17.098 2.071 3.875 1.00 0.00 C ATOM 65 CD1 LEU A 3 18.022 3.071 3.201 1.00 0.00 C ATOM 66 CD2 LEU A 3 16.176 2.778 4.859 1.00 0.00 C ATOM 0 H LEU A 3 14.683 1.078 4.825 1.00 0.00 H new ATOM 0 HA LEU A 3 15.164 -0.504 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 3 16.979 1.034 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.541 1.951 2.406 1.00 0.00 H new ATOM 0 HG LEU A 3 17.698 1.357 4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 3 18.580 3.619 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.718 2.542 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.432 3.770 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.773 3.321 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 3 15.537 3.478 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.556 2.041 5.371 1.00 0.00 H new ATOM 78 N ASP A 4 16.945 -0.675 5.190 1.00 0.00 N ATOM 79 CA ASP A 4 18.069 -1.309 5.885 1.00 0.00 C ATOM 80 C ASP A 4 19.394 -0.825 5.289 1.00 0.00 C ATOM 81 O ASP A 4 20.209 -0.209 5.975 1.00 0.00 O ATOM 82 CB ASP A 4 17.978 -2.839 5.830 1.00 0.00 C ATOM 83 CG ASP A 4 19.052 -3.515 6.659 1.00 0.00 C ATOM 84 OD1 ASP A 4 20.210 -3.580 6.203 1.00 0.00 O ATOM 85 OD2 ASP A 4 18.738 -4.000 7.767 1.00 0.00 O ATOM 0 H ASP A 4 16.409 -0.035 5.776 1.00 0.00 H new ATOM 0 HA ASP A 4 18.023 -1.018 6.935 1.00 0.00 H new ATOM 0 HB2 ASP A 4 16.997 -3.154 6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 4 18.062 -3.168 4.794 1.00 0.00 H new ATOM 90 N GLY A 5 19.588 -1.081 4.003 1.00 0.00 N ATOM 91 CA GLY A 5 20.775 -0.617 3.317 1.00 0.00 C ATOM 92 C GLY A 5 20.649 -0.741 1.812 1.00 0.00 C ATOM 93 O GLY A 5 21.503 -1.360 1.171 1.00 0.00 O ATOM 0 H GLY A 5 18.938 -1.607 3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 5 20.962 0.424 3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 5 21.637 -1.191 3.657 1.00 0.00 H new ATOM 97 N ASP A 6 19.586 -0.147 1.248 1.00 0.00 N ATOM 98 CA ASP A 6 19.306 -0.221 -0.189 1.00 0.00 C ATOM 99 C ASP A 6 19.362 -1.660 -0.696 1.00 0.00 C ATOM 100 O ASP A 6 19.757 -1.914 -1.832 1.00 0.00 O ATOM 101 CB ASP A 6 20.293 0.643 -0.976 1.00 0.00 C ATOM 102 CG ASP A 6 20.305 2.083 -0.518 1.00 0.00 C ATOM 103 OD1 ASP A 6 21.360 2.543 -0.028 1.00 0.00 O ATOM 104 OD2 ASP A 6 19.265 2.762 -0.636 1.00 0.00 O ATOM 0 H ASP A 6 18.901 0.395 1.775 1.00 0.00 H new ATOM 0 HA ASP A 6 18.296 0.158 -0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 6 21.295 0.226 -0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 6 20.038 0.605 -2.035 1.00 0.00 H new ATOM 109 N LEU A 7 18.937 -2.599 0.134 1.00 0.00 N ATOM 110 CA LEU A 7 19.044 -4.005 -0.205 1.00 0.00 C ATOM 111 C LEU A 7 17.813 -4.762 0.278 1.00 0.00 C ATOM 112 O LEU A 7 16.927 -4.183 0.906 1.00 0.00 O ATOM 113 CB LEU A 7 20.319 -4.591 0.414 1.00 0.00 C ATOM 114 CG LEU A 7 20.698 -5.998 -0.059 1.00 0.00 C ATOM 115 CD1 LEU A 7 20.933 -6.016 -1.562 1.00 0.00 C ATOM 116 CD2 LEU A 7 21.929 -6.491 0.681 1.00 0.00 C ATOM 0 H LEU A 7 18.516 -2.412 1.044 1.00 0.00 H new ATOM 0 HA LEU A 7 19.101 -4.108 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 7 21.149 -3.918 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.199 -4.611 1.497 1.00 0.00 H new ATOM 0 HG LEU A 7 19.869 -6.670 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 7 21.201 -7.025 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 7 20.024 -5.705 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 7 21.743 -5.331 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 7 22.186 -7.492 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 7 22.763 -5.816 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 7 21.723 -6.520 1.751 1.00 0.00 H new ATOM 128 N LEU A 8 17.761 -6.048 -0.036 1.00 0.00 N ATOM 129 CA LEU A 8 16.656 -6.906 0.367 1.00 0.00 C ATOM 130 C LEU A 8 16.747 -7.217 1.851 1.00 0.00 C ATOM 131 O LEU A 8 15.838 -6.903 2.618 1.00 0.00 O ATOM 132 CB LEU A 8 16.678 -8.226 -0.419 1.00 0.00 C ATOM 133 CG LEU A 8 16.347 -8.149 -1.917 1.00 0.00 C ATOM 134 CD1 LEU A 8 17.344 -7.284 -2.678 1.00 0.00 C ATOM 135 CD2 LEU A 8 16.325 -9.547 -2.507 1.00 0.00 C ATOM 0 H LEU A 8 18.482 -6.526 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 8 15.727 -6.377 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 8 17.669 -8.667 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.972 -8.912 0.050 1.00 0.00 H new ATOM 0 HG LEU A 8 15.365 -7.686 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.072 -7.258 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.330 -6.272 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.345 -7.703 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.090 -9.490 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.302 -10.013 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.567 -10.144 -2.000 1.00 0.00 H new ATOM 147 N LYS A 9 17.869 -7.832 2.231 1.00 0.00 N ATOM 148 CA LYS A 9 18.108 -8.292 3.596 1.00 0.00 C ATOM 149 C LYS A 9 17.112 -9.375 3.996 1.00 0.00 C ATOM 150 O LYS A 9 17.437 -10.562 3.955 1.00 0.00 O ATOM 151 CB LYS A 9 18.101 -7.131 4.595 1.00 0.00 C ATOM 152 CG LYS A 9 19.310 -6.218 4.456 1.00 0.00 C ATOM 153 CD LYS A 9 20.606 -7.015 4.473 1.00 0.00 C ATOM 154 CE LYS A 9 21.833 -6.119 4.459 1.00 0.00 C ATOM 155 NZ LYS A 9 22.008 -5.395 5.744 1.00 0.00 N ATOM 0 H LYS A 9 18.642 -8.025 1.594 1.00 0.00 H new ATOM 0 HA LYS A 9 19.105 -8.732 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 9 17.193 -6.545 4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 9 18.070 -7.531 5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 9 19.239 -5.655 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 9 19.316 -5.492 5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 9 20.630 -7.647 5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 9 20.633 -7.679 3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.719 -6.721 4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 9 21.746 -5.398 3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 23.019 -5.208 5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 21.491 -4.494 5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.637 -5.976 6.523 1.00 0.00 H new ATOM 169 N ASP A 10 15.903 -8.982 4.349 1.00 0.00 N ATOM 170 CA ASP A 10 14.882 -9.947 4.712 1.00 0.00 C ATOM 171 C ASP A 10 13.632 -9.720 3.880 1.00 0.00 C ATOM 172 O ASP A 10 12.912 -8.739 4.065 1.00 0.00 O ATOM 173 CB ASP A 10 14.551 -9.880 6.204 1.00 0.00 C ATOM 174 CG ASP A 10 13.833 -11.130 6.677 1.00 0.00 C ATOM 175 OD1 ASP A 10 14.471 -12.210 6.690 1.00 0.00 O ATOM 176 OD2 ASP A 10 12.644 -11.047 7.045 1.00 0.00 O ATOM 0 H ASP A 10 15.605 -8.008 4.392 1.00 0.00 H new ATOM 0 HA ASP A 10 15.272 -10.944 4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.470 -9.750 6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.929 -9.007 6.400 1.00 0.00 H new ATOM 181 N LYS A 11 13.410 -10.616 2.936 1.00 0.00 N ATOM 182 CA LYS A 11 12.258 -10.541 2.058 1.00 0.00 C ATOM 183 C LYS A 11 11.370 -11.771 2.240 1.00 0.00 C ATOM 184 O LYS A 11 11.497 -12.480 3.241 1.00 0.00 O ATOM 185 CB LYS A 11 12.715 -10.414 0.603 1.00 0.00 C ATOM 186 CG LYS A 11 13.801 -11.394 0.203 1.00 0.00 C ATOM 187 CD LYS A 11 13.764 -11.666 -1.287 1.00 0.00 C ATOM 188 CE LYS A 11 12.655 -12.644 -1.641 1.00 0.00 C ATOM 189 NZ LYS A 11 12.970 -14.021 -1.174 1.00 0.00 N ATOM 0 H LYS A 11 14.021 -11.413 2.757 1.00 0.00 H new ATOM 0 HA LYS A 11 11.674 -9.658 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.854 -10.557 -0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.077 -9.400 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.777 -10.994 0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.673 -12.328 0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.613 -10.731 -1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.724 -12.069 -1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.719 -12.312 -1.192 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.506 -12.651 -2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.866 -14.688 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.948 -14.053 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.317 -14.286 -0.410 1.00 0.00 H new ATOM 203 N LEU A 12 10.475 -12.006 1.275 1.00 0.00 N ATOM 204 CA LEU A 12 9.540 -13.137 1.312 1.00 0.00 C ATOM 205 C LEU A 12 10.183 -14.429 1.801 1.00 0.00 C ATOM 206 O LEU A 12 11.100 -14.966 1.177 1.00 0.00 O ATOM 207 CB LEU A 12 8.941 -13.386 -0.072 1.00 0.00 C ATOM 208 CG LEU A 12 7.858 -12.405 -0.514 1.00 0.00 C ATOM 209 CD1 LEU A 12 7.321 -12.806 -1.876 1.00 0.00 C ATOM 210 CD2 LEU A 12 6.730 -12.353 0.505 1.00 0.00 C ATOM 0 H LEU A 12 10.378 -11.419 0.447 1.00 0.00 H new ATOM 0 HA LEU A 12 8.763 -12.857 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.747 -13.363 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.522 -14.392 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 12 8.298 -11.410 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.549 -12.101 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.132 -12.797 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.896 -13.808 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.969 -11.648 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.287 -13.343 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.125 -12.030 1.468 1.00 0.00 H new ATOM 222 N LYS A 13 9.699 -14.904 2.937 1.00 0.00 N ATOM 223 CA LYS A 13 10.060 -16.214 3.462 1.00 0.00 C ATOM 224 C LYS A 13 8.787 -16.952 3.832 1.00 0.00 C ATOM 225 O LYS A 13 8.788 -17.896 4.621 1.00 0.00 O ATOM 226 CB LYS A 13 10.964 -16.072 4.688 1.00 0.00 C ATOM 227 CG LYS A 13 12.379 -15.625 4.364 1.00 0.00 C ATOM 228 CD LYS A 13 13.176 -15.331 5.625 1.00 0.00 C ATOM 229 CE LYS A 13 13.156 -16.500 6.598 1.00 0.00 C ATOM 230 NZ LYS A 13 13.758 -17.731 6.019 1.00 0.00 N ATOM 0 H LYS A 13 9.042 -14.391 3.525 1.00 0.00 H new ATOM 0 HA LYS A 13 10.609 -16.773 2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.516 -15.355 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.006 -17.029 5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.883 -16.400 3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.345 -14.733 3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 13 14.207 -15.100 5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.768 -14.446 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.698 -16.225 7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.127 -16.706 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.751 -18.489 6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.206 -18.030 5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.738 -17.536 5.730 1.00 0.00 H new ATOM 244 N LEU A 14 7.702 -16.500 3.228 1.00 0.00 N ATOM 245 CA LEU A 14 6.371 -16.963 3.559 1.00 0.00 C ATOM 246 C LEU A 14 5.410 -16.722 2.396 1.00 0.00 C ATOM 247 O LEU A 14 5.760 -16.055 1.416 1.00 0.00 O ATOM 248 CB LEU A 14 5.870 -16.245 4.827 1.00 0.00 C ATOM 249 CG LEU A 14 6.328 -14.785 5.007 1.00 0.00 C ATOM 250 CD1 LEU A 14 5.906 -13.925 3.830 1.00 0.00 C ATOM 251 CD2 LEU A 14 5.769 -14.208 6.298 1.00 0.00 C ATOM 0 H LEU A 14 7.723 -15.797 2.490 1.00 0.00 H new ATOM 0 HA LEU A 14 6.410 -18.036 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.780 -16.264 4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.197 -16.816 5.696 1.00 0.00 H new ATOM 0 HG LEU A 14 7.417 -14.783 5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.244 -12.901 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.350 -14.317 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.820 -13.939 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.102 -13.176 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.680 -14.236 6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.124 -14.797 7.144 1.00 0.00 H new ATOM 263 N PRO A 15 4.215 -17.320 2.468 1.00 0.00 N ATOM 264 CA PRO A 15 3.084 -16.989 1.588 1.00 0.00 C ATOM 265 C PRO A 15 2.514 -15.605 1.891 1.00 0.00 C ATOM 266 O PRO A 15 3.226 -14.720 2.364 1.00 0.00 O ATOM 267 CB PRO A 15 2.046 -18.070 1.924 1.00 0.00 C ATOM 268 CG PRO A 15 2.798 -19.125 2.644 1.00 0.00 C ATOM 269 CD PRO A 15 3.878 -18.412 3.385 1.00 0.00 C ATOM 0 HA PRO A 15 3.374 -16.966 0.537 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.244 -17.667 2.543 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.583 -18.465 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.149 -19.672 3.328 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.215 -19.853 1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.533 -18.041 4.350 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.734 -19.059 3.579 1.00 0.00 H new ATOM 277 N VAL A 16 1.236 -15.424 1.593 1.00 0.00 N ATOM 278 CA VAL A 16 0.542 -14.174 1.897 1.00 0.00 C ATOM 279 C VAL A 16 0.743 -13.773 3.358 1.00 0.00 C ATOM 280 O VAL A 16 0.479 -14.543 4.289 1.00 0.00 O ATOM 281 CB VAL A 16 -0.971 -14.249 1.563 1.00 0.00 C ATOM 282 CG1 VAL A 16 -1.625 -15.435 2.255 1.00 0.00 C ATOM 283 CG2 VAL A 16 -1.683 -12.949 1.936 1.00 0.00 C ATOM 0 H VAL A 16 0.654 -16.128 1.139 1.00 0.00 H new ATOM 0 HA VAL A 16 0.983 -13.407 1.260 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.065 -14.389 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.685 -15.464 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.148 -16.358 1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.511 -15.335 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.742 -13.031 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.571 -12.767 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.244 -12.121 1.379 1.00 0.00 H new ATOM 293 N ILE A 17 1.246 -12.569 3.532 1.00 0.00 N ATOM 294 CA ILE A 17 1.495 -12.003 4.841 1.00 0.00 C ATOM 295 C ILE A 17 0.180 -11.474 5.410 1.00 0.00 C ATOM 296 O ILE A 17 -0.716 -11.095 4.649 1.00 0.00 O ATOM 297 CB ILE A 17 2.534 -10.862 4.741 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.684 -11.263 3.815 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.084 -10.513 6.102 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.712 -10.171 3.606 1.00 0.00 C ATOM 0 H ILE A 17 1.496 -11.950 2.761 1.00 0.00 H new ATOM 0 HA ILE A 17 1.895 -12.772 5.502 1.00 0.00 H new ATOM 0 HB ILE A 17 2.029 -9.988 4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.180 -12.142 4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.274 -11.553 2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.813 -9.708 6.005 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.270 -10.189 6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.567 -11.389 6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.495 -10.531 2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.231 -9.298 3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.151 -9.896 4.565 1.00 0.00 H new ATOM 312 N ASP A 18 0.056 -11.455 6.732 1.00 0.00 N ATOM 313 CA ASP A 18 -1.201 -11.083 7.376 1.00 0.00 C ATOM 314 C ASP A 18 -1.581 -9.642 7.053 1.00 0.00 C ATOM 315 O ASP A 18 -0.714 -8.803 6.787 1.00 0.00 O ATOM 316 CB ASP A 18 -1.110 -11.272 8.892 1.00 0.00 C ATOM 317 CG ASP A 18 -2.454 -11.103 9.568 1.00 0.00 C ATOM 318 OD1 ASP A 18 -3.236 -12.076 9.591 1.00 0.00 O ATOM 319 OD2 ASP A 18 -2.741 -10.002 10.066 1.00 0.00 O ATOM 0 H ASP A 18 0.808 -11.692 7.379 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.978 -11.740 6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.717 -12.265 9.110 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.404 -10.552 9.305 1.00 0.00 H new ATOM 324 N ASN A 19 -2.880 -9.357 7.072 1.00 0.00 N ATOM 325 CA ASN A 19 -3.378 -8.026 6.750 1.00 0.00 C ATOM 326 C ASN A 19 -2.889 -7.003 7.770 1.00 0.00 C ATOM 327 O ASN A 19 -2.781 -5.826 7.457 1.00 0.00 O ATOM 328 CB ASN A 19 -4.914 -8.006 6.672 1.00 0.00 C ATOM 329 CG ASN A 19 -5.591 -7.993 8.034 1.00 0.00 C ATOM 330 OD1 ASN A 19 -5.860 -9.042 8.621 1.00 0.00 O ATOM 331 ND2 ASN A 19 -5.890 -6.802 8.533 1.00 0.00 N ATOM 0 H ASN A 19 -3.607 -10.032 7.308 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.985 -7.758 5.769 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.230 -7.127 6.110 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.253 -8.879 6.115 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.360 -6.731 9.435 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.650 -5.957 8.015 1.00 0.00 H new ATOM 338 N LEU A 20 -2.591 -7.459 8.985 1.00 0.00 N ATOM 339 CA LEU A 20 -2.059 -6.598 10.024 1.00 0.00 C ATOM 340 C LEU A 20 -0.721 -6.009 9.607 1.00 0.00 C ATOM 341 O LEU A 20 -0.498 -4.810 9.747 1.00 0.00 O ATOM 342 CB LEU A 20 -1.900 -7.379 11.326 1.00 0.00 C ATOM 343 CG LEU A 20 -1.042 -6.694 12.384 1.00 0.00 C ATOM 344 CD1 LEU A 20 -1.685 -5.392 12.838 1.00 0.00 C ATOM 345 CD2 LEU A 20 -0.801 -7.624 13.559 1.00 0.00 C ATOM 0 H LEU A 20 -2.713 -8.431 9.270 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.762 -5.780 10.181 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.889 -7.564 11.745 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.463 -8.351 11.099 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.076 -6.453 11.941 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.056 -4.920 13.593 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.793 -4.722 11.985 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.667 -5.600 13.262 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.187 -7.118 14.304 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.756 -7.902 14.005 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.287 -8.521 13.214 1.00 0.00 H new ATOM 357 N PHE A 21 0.163 -6.855 9.085 1.00 0.00 N ATOM 358 CA PHE A 21 1.468 -6.396 8.624 1.00 0.00 C ATOM 359 C PHE A 21 1.283 -5.358 7.529 1.00 0.00 C ATOM 360 O PHE A 21 2.003 -4.362 7.468 1.00 0.00 O ATOM 361 CB PHE A 21 2.306 -7.570 8.109 1.00 0.00 C ATOM 362 CG PHE A 21 3.687 -7.176 7.665 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.678 -6.904 8.594 1.00 0.00 C ATOM 364 CD2 PHE A 21 3.994 -7.077 6.316 1.00 0.00 C ATOM 365 CE1 PHE A 21 5.947 -6.542 8.187 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.262 -6.716 5.904 1.00 0.00 C ATOM 367 CZ PHE A 21 6.240 -6.447 6.841 1.00 0.00 C ATOM 0 H PHE A 21 0.000 -7.856 8.971 1.00 0.00 H new ATOM 0 HA PHE A 21 1.999 -5.945 9.462 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.387 -8.320 8.896 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.785 -8.038 7.274 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.456 -6.976 9.648 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.232 -7.285 5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.711 -6.333 8.922 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.488 -6.644 4.850 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.232 -6.163 6.522 1.00 0.00 H new ATOM 377 N GLY A 22 0.294 -5.596 6.679 1.00 0.00 N ATOM 378 CA GLY A 22 -0.056 -4.628 5.668 1.00 0.00 C ATOM 379 C GLY A 22 -0.595 -3.360 6.292 1.00 0.00 C ATOM 380 O GLY A 22 -0.139 -2.271 5.981 1.00 0.00 O ATOM 0 H GLY A 22 -0.271 -6.445 6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.821 -4.395 5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.802 -5.052 4.997 1.00 0.00 H new ATOM 384 N LYS A 23 -1.552 -3.510 7.197 1.00 0.00 N ATOM 385 CA LYS A 23 -2.157 -2.384 7.884 1.00 0.00 C ATOM 386 C LYS A 23 -1.101 -1.549 8.606 1.00 0.00 C ATOM 387 O LYS A 23 -1.266 -0.348 8.785 1.00 0.00 O ATOM 388 CB LYS A 23 -3.214 -2.891 8.865 1.00 0.00 C ATOM 389 CG LYS A 23 -4.506 -3.356 8.201 1.00 0.00 C ATOM 390 CD LYS A 23 -5.148 -2.260 7.357 1.00 0.00 C ATOM 391 CE LYS A 23 -5.587 -1.068 8.195 1.00 0.00 C ATOM 392 NZ LYS A 23 -6.630 -1.434 9.188 1.00 0.00 N ATOM 0 H LYS A 23 -1.929 -4.417 7.474 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.636 -1.739 7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.795 -3.717 9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.448 -2.097 9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.298 -4.221 7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.210 -3.681 8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.440 -1.927 6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.011 -2.668 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.723 -0.653 8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.970 -0.286 7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.019 -0.570 9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.392 -1.959 8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.209 -2.029 9.930 1.00 0.00 H new ATOM 406 N GLU A 24 -0.019 -2.198 9.010 1.00 0.00 N ATOM 407 CA GLU A 24 1.122 -1.528 9.580 1.00 0.00 C ATOM 408 C GLU A 24 1.839 -0.697 8.524 1.00 0.00 C ATOM 409 O GLU A 24 2.073 0.495 8.718 1.00 0.00 O ATOM 410 CB GLU A 24 2.053 -2.571 10.163 1.00 0.00 C ATOM 411 CG GLU A 24 1.580 -3.108 11.493 1.00 0.00 C ATOM 412 CD GLU A 24 1.560 -2.051 12.578 1.00 0.00 C ATOM 413 OE1 GLU A 24 2.586 -1.885 13.269 1.00 0.00 O ATOM 414 OE2 GLU A 24 0.519 -1.386 12.751 1.00 0.00 O ATOM 0 H GLU A 24 0.085 -3.211 8.948 1.00 0.00 H new ATOM 0 HA GLU A 24 0.794 -0.849 10.367 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.151 -3.397 9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.045 -2.137 10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.579 -3.523 11.377 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.230 -3.927 11.801 1.00 0.00 H new ATOM 421 N LEU A 25 2.176 -1.337 7.404 1.00 0.00 N ATOM 422 CA LEU A 25 2.785 -0.650 6.269 1.00 0.00 C ATOM 423 C LEU A 25 1.929 0.533 5.855 1.00 0.00 C ATOM 424 O LEU A 25 2.340 1.689 5.944 1.00 0.00 O ATOM 425 CB LEU A 25 2.890 -1.585 5.065 1.00 0.00 C ATOM 426 CG LEU A 25 3.632 -2.894 5.282 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.417 -3.813 4.089 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.111 -2.642 5.527 1.00 0.00 C ATOM 0 H LEU A 25 2.036 -2.337 7.260 1.00 0.00 H new ATOM 0 HA LEU A 25 3.777 -0.320 6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.881 -1.818 4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.382 -1.045 4.256 1.00 0.00 H new ATOM 0 HG LEU A 25 3.234 -3.384 6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.951 -4.749 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.352 -4.017 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.793 -3.332 3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.622 -3.593 5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.541 -2.133 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.232 -2.019 6.413 1.00 0.00 H new ATOM 440 N LEU A 26 0.713 0.214 5.438 1.00 0.00 N ATOM 441 CA LEU A 26 -0.205 1.180 4.865 1.00 0.00 C ATOM 442 C LEU A 26 -0.503 2.313 5.837 1.00 0.00 C ATOM 443 O LEU A 26 -0.804 3.423 5.420 1.00 0.00 O ATOM 444 CB LEU A 26 -1.509 0.492 4.438 1.00 0.00 C ATOM 445 CG LEU A 26 -1.445 -0.323 3.136 1.00 0.00 C ATOM 446 CD1 LEU A 26 -0.476 -1.479 3.250 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.830 -0.817 2.752 1.00 0.00 C ATOM 0 H LEU A 26 0.335 -0.732 5.489 1.00 0.00 H new ATOM 0 HA LEU A 26 0.275 1.610 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.828 -0.170 5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.280 1.255 4.329 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.078 0.335 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.457 -2.032 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.522 -1.097 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.793 -2.142 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.768 -1.392 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.224 -1.449 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.493 0.036 2.605 1.00 0.00 H new ATOM 459 N ASP A 27 -0.428 2.032 7.130 1.00 0.00 N ATOM 460 CA ASP A 27 -0.628 3.080 8.135 1.00 0.00 C ATOM 461 C ASP A 27 0.593 3.991 8.229 1.00 0.00 C ATOM 462 O ASP A 27 0.461 5.214 8.232 1.00 0.00 O ATOM 463 CB ASP A 27 -0.932 2.496 9.512 1.00 0.00 C ATOM 464 CG ASP A 27 -1.363 3.563 10.501 1.00 0.00 C ATOM 465 OD1 ASP A 27 -2.582 3.684 10.755 1.00 0.00 O ATOM 466 OD2 ASP A 27 -0.495 4.285 11.030 1.00 0.00 O ATOM 0 H ASP A 27 -0.234 1.105 7.509 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.489 3.665 7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.718 1.747 9.422 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.047 1.986 9.892 1.00 0.00 H new ATOM 471 N LYS A 28 1.784 3.394 8.297 1.00 0.00 N ATOM 472 CA LYS A 28 3.023 4.172 8.376 1.00 0.00 C ATOM 473 C LYS A 28 3.141 5.111 7.185 1.00 0.00 C ATOM 474 O LYS A 28 3.642 6.226 7.299 1.00 0.00 O ATOM 475 CB LYS A 28 4.256 3.265 8.397 1.00 0.00 C ATOM 476 CG LYS A 28 4.346 2.332 9.588 1.00 0.00 C ATOM 477 CD LYS A 28 5.633 1.526 9.549 1.00 0.00 C ATOM 478 CE LYS A 28 5.646 0.435 10.602 1.00 0.00 C ATOM 479 NZ LYS A 28 5.446 0.972 11.972 1.00 0.00 N ATOM 0 H LYS A 28 1.918 2.383 8.299 1.00 0.00 H new ATOM 0 HA LYS A 28 2.981 4.743 9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.264 2.668 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.149 3.890 8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.302 2.909 10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.490 1.658 9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.753 1.080 8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.483 2.191 9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.863 -0.290 10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.596 -0.098 10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.580 0.210 12.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.135 1.730 12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.482 1.353 12.058 1.00 0.00 H new ATOM 493 N PHE A 29 2.673 4.643 6.039 1.00 0.00 N ATOM 494 CA PHE A 29 2.808 5.391 4.803 1.00 0.00 C ATOM 495 C PHE A 29 1.465 5.989 4.398 1.00 0.00 C ATOM 496 O PHE A 29 1.309 6.494 3.289 1.00 0.00 O ATOM 497 CB PHE A 29 3.345 4.476 3.698 1.00 0.00 C ATOM 498 CG PHE A 29 4.382 3.501 4.192 1.00 0.00 C ATOM 499 CD1 PHE A 29 5.413 3.918 5.017 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.313 2.164 3.846 1.00 0.00 C ATOM 501 CE1 PHE A 29 6.350 3.020 5.490 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.250 1.261 4.313 1.00 0.00 C ATOM 503 CZ PHE A 29 6.269 1.690 5.136 1.00 0.00 C ATOM 0 H PHE A 29 2.196 3.747 5.941 1.00 0.00 H new ATOM 0 HA PHE A 29 3.514 6.207 4.956 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.516 3.923 3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.777 5.087 2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.485 4.959 5.294 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.517 1.821 3.202 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.146 3.360 6.137 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.184 0.220 4.033 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.002 0.986 5.502 1.00 0.00 H new ATOM 513 N GLN A 30 0.511 5.953 5.325 1.00 0.00 N ATOM 514 CA GLN A 30 -0.826 6.468 5.091 1.00 0.00 C ATOM 515 C GLN A 30 -0.778 7.949 4.757 1.00 0.00 C ATOM 516 O GLN A 30 -1.471 8.413 3.857 1.00 0.00 O ATOM 517 CB GLN A 30 -1.683 6.213 6.330 1.00 0.00 C ATOM 518 CG GLN A 30 -2.731 7.257 6.580 1.00 0.00 C ATOM 519 CD GLN A 30 -4.094 6.904 6.021 1.00 0.00 C ATOM 520 OE1 GLN A 30 -4.212 6.231 5.000 1.00 0.00 O ATOM 521 NE2 GLN A 30 -5.136 7.345 6.708 1.00 0.00 N ATOM 0 H GLN A 30 0.648 5.565 6.258 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.270 5.954 4.238 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.170 5.243 6.228 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.032 6.152 7.202 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.820 7.418 7.654 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.403 8.200 6.142 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.993 7.901 7.551 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.082 7.129 6.394 1.00 0.00 H new ATOM 530 N ASP A 31 0.064 8.682 5.472 1.00 0.00 N ATOM 531 CA ASP A 31 0.220 10.107 5.236 1.00 0.00 C ATOM 532 C ASP A 31 0.756 10.369 3.839 1.00 0.00 C ATOM 533 O ASP A 31 0.409 11.369 3.225 1.00 0.00 O ATOM 534 CB ASP A 31 1.136 10.743 6.283 1.00 0.00 C ATOM 535 CG ASP A 31 2.388 9.930 6.546 1.00 0.00 C ATOM 536 OD1 ASP A 31 3.433 10.203 5.917 1.00 0.00 O ATOM 537 OD2 ASP A 31 2.330 9.014 7.393 1.00 0.00 O ATOM 0 H ASP A 31 0.649 8.311 6.221 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.765 10.565 5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.421 11.741 5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.585 10.863 7.216 1.00 0.00 H new ATOM 542 N ASP A 32 1.580 9.460 3.334 1.00 0.00 N ATOM 543 CA ASP A 32 2.114 9.576 1.980 1.00 0.00 C ATOM 544 C ASP A 32 1.030 9.264 0.961 1.00 0.00 C ATOM 545 O ASP A 32 0.827 10.001 -0.005 1.00 0.00 O ATOM 546 CB ASP A 32 3.278 8.609 1.773 1.00 0.00 C ATOM 547 CG ASP A 32 4.559 9.304 1.376 1.00 0.00 C ATOM 548 OD1 ASP A 32 4.532 10.140 0.446 1.00 0.00 O ATOM 549 OD2 ASP A 32 5.610 9.006 1.981 1.00 0.00 O ATOM 0 H ASP A 32 1.894 8.633 3.841 1.00 0.00 H new ATOM 0 HA ASP A 32 2.467 10.598 1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.445 8.048 2.693 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.010 7.886 1.003 1.00 0.00 H new ATOM 554 N ILE A 33 0.336 8.158 1.194 1.00 0.00 N ATOM 555 CA ILE A 33 -0.746 7.715 0.326 1.00 0.00 C ATOM 556 C ILE A 33 -1.848 8.766 0.252 1.00 0.00 C ATOM 557 O ILE A 33 -2.390 9.058 -0.816 1.00 0.00 O ATOM 558 CB ILE A 33 -1.353 6.393 0.844 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.271 5.314 0.936 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.484 5.938 -0.063 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.746 4.012 1.542 1.00 0.00 C ATOM 0 H ILE A 33 0.507 7.543 1.990 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.326 7.560 -0.668 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.759 6.562 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.116 5.117 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.559 5.697 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.901 5.005 0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.262 6.701 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.101 5.781 -1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.080 3.301 1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.106 4.192 2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.555 3.603 0.937 1.00 0.00 H new ATOM 573 N LYS A 34 -2.148 9.343 1.395 1.00 0.00 N ATOM 574 CA LYS A 34 -3.234 10.290 1.527 1.00 0.00 C ATOM 575 C LYS A 34 -2.792 11.657 1.031 1.00 0.00 C ATOM 576 O LYS A 34 -3.594 12.443 0.529 1.00 0.00 O ATOM 577 CB LYS A 34 -3.651 10.325 2.986 1.00 0.00 C ATOM 578 CG LYS A 34 -5.031 10.887 3.237 1.00 0.00 C ATOM 579 CD LYS A 34 -5.569 10.356 4.553 1.00 0.00 C ATOM 580 CE LYS A 34 -7.052 10.625 4.722 1.00 0.00 C ATOM 581 NZ LYS A 34 -7.586 10.000 5.966 1.00 0.00 N ATOM 0 H LYS A 34 -1.643 9.168 2.264 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.089 9.991 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.608 9.312 3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.926 10.918 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.991 11.976 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.700 10.611 2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.388 9.283 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.023 10.815 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.226 11.701 4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.593 10.238 3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.571 10.302 6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.551 8.964 5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.010 10.297 6.779 1.00 0.00 H new ATOM 595 N ASP A 35 -1.503 11.920 1.165 1.00 0.00 N ATOM 596 CA ASP A 35 -0.900 13.128 0.615 1.00 0.00 C ATOM 597 C ASP A 35 -0.976 13.119 -0.906 1.00 0.00 C ATOM 598 O ASP A 35 -1.428 14.082 -1.528 1.00 0.00 O ATOM 599 CB ASP A 35 0.562 13.248 1.041 1.00 0.00 C ATOM 600 CG ASP A 35 1.222 14.500 0.503 1.00 0.00 C ATOM 601 OD1 ASP A 35 0.780 15.613 0.859 1.00 0.00 O ATOM 602 OD2 ASP A 35 2.190 14.379 -0.274 1.00 0.00 O ATOM 0 H ASP A 35 -0.848 11.310 1.653 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.457 13.981 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.621 13.249 2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.111 12.373 0.693 1.00 0.00 H new ATOM 607 N LYS A 36 -0.539 12.013 -1.491 1.00 0.00 N ATOM 608 CA LYS A 36 -0.466 11.875 -2.939 1.00 0.00 C ATOM 609 C LYS A 36 -1.830 11.624 -3.569 1.00 0.00 C ATOM 610 O LYS A 36 -2.277 12.387 -4.423 1.00 0.00 O ATOM 611 CB LYS A 36 0.485 10.744 -3.303 1.00 0.00 C ATOM 612 CG LYS A 36 1.936 11.133 -3.166 1.00 0.00 C ATOM 613 CD LYS A 36 2.812 9.924 -2.998 1.00 0.00 C ATOM 614 CE LYS A 36 4.279 10.310 -2.937 1.00 0.00 C ATOM 615 NZ LYS A 36 4.543 11.317 -1.878 1.00 0.00 N ATOM 0 H LYS A 36 -0.226 11.189 -0.978 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.094 12.820 -3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.282 9.885 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.293 10.430 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.250 11.692 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.058 11.795 -2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.535 9.395 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.649 9.236 -3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.881 9.421 -2.750 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.590 10.709 -3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.569 11.429 -1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.126 12.229 -2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.118 10.999 -0.983 1.00 0.00 H new ATOM 629 N TYR A 37 -2.491 10.561 -3.135 1.00 0.00 N ATOM 630 CA TYR A 37 -3.694 10.093 -3.807 1.00 0.00 C ATOM 631 C TYR A 37 -4.948 10.504 -3.044 1.00 0.00 C ATOM 632 O TYR A 37 -6.020 10.657 -3.628 1.00 0.00 O ATOM 633 CB TYR A 37 -3.652 8.570 -3.945 1.00 0.00 C ATOM 634 CG TYR A 37 -2.316 8.026 -4.403 1.00 0.00 C ATOM 635 CD1 TYR A 37 -1.858 8.234 -5.698 1.00 0.00 C ATOM 636 CD2 TYR A 37 -1.518 7.288 -3.537 1.00 0.00 C ATOM 637 CE1 TYR A 37 -0.642 7.725 -6.115 1.00 0.00 C ATOM 638 CE2 TYR A 37 -0.302 6.778 -3.945 1.00 0.00 C ATOM 639 CZ TYR A 37 0.131 6.997 -5.236 1.00 0.00 C ATOM 640 OH TYR A 37 1.339 6.483 -5.645 1.00 0.00 O ATOM 0 H TYR A 37 -2.216 10.008 -2.323 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.730 10.551 -4.795 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.904 8.122 -2.984 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.420 8.259 -4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.462 8.802 -6.390 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.855 7.110 -2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.299 7.897 -7.125 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.307 6.211 -3.257 1.00 0.00 H new ATOM 0 HH TYR A 37 1.756 5.998 -4.903 1.00 0.00 H new ATOM 650 N GLY A 38 -4.808 10.671 -1.737 1.00 0.00 N ATOM 651 CA GLY A 38 -5.946 11.020 -0.908 1.00 0.00 C ATOM 652 C GLY A 38 -6.735 9.795 -0.499 1.00 0.00 C ATOM 653 O GLY A 38 -7.945 9.723 -0.705 1.00 0.00 O ATOM 0 H GLY A 38 -3.926 10.571 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.600 11.545 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.595 11.707 -1.451 1.00 0.00 H new ATOM 657 N VAL A 39 -6.039 8.825 0.070 1.00 0.00 N ATOM 658 CA VAL A 39 -6.639 7.559 0.436 1.00 0.00 C ATOM 659 C VAL A 39 -6.548 7.338 1.939 1.00 0.00 C ATOM 660 O VAL A 39 -5.604 7.794 2.581 1.00 0.00 O ATOM 661 CB VAL A 39 -5.908 6.402 -0.261 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.631 5.088 -0.045 1.00 0.00 C ATOM 663 CG2 VAL A 39 -5.735 6.679 -1.745 1.00 0.00 C ATOM 0 H VAL A 39 -5.045 8.895 0.289 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.684 7.586 0.127 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.918 6.321 0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.090 4.288 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.684 4.873 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.640 5.157 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.215 5.843 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.714 6.802 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.152 7.590 -1.880 1.00 0.00 H new ATOM 673 N ASP A 40 -7.519 6.636 2.490 1.00 0.00 N ATOM 674 CA ASP A 40 -7.486 6.265 3.894 1.00 0.00 C ATOM 675 C ASP A 40 -7.320 4.757 4.016 1.00 0.00 C ATOM 676 O ASP A 40 -8.255 4.000 3.761 1.00 0.00 O ATOM 677 CB ASP A 40 -8.760 6.720 4.604 1.00 0.00 C ATOM 678 CG ASP A 40 -8.670 6.549 6.102 1.00 0.00 C ATOM 679 OD1 ASP A 40 -9.400 5.698 6.656 1.00 0.00 O ATOM 680 OD2 ASP A 40 -7.868 7.268 6.732 1.00 0.00 O ATOM 0 H ASP A 40 -8.344 6.310 1.986 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.640 6.760 4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.950 7.768 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.608 6.150 4.225 1.00 0.00 H new ATOM 685 N THR A 41 -6.125 4.328 4.398 1.00 0.00 N ATOM 686 CA THR A 41 -5.776 2.910 4.427 1.00 0.00 C ATOM 687 C THR A 41 -6.587 2.137 5.463 1.00 0.00 C ATOM 688 O THR A 41 -6.661 0.909 5.422 1.00 0.00 O ATOM 689 CB THR A 41 -4.277 2.726 4.709 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.927 3.362 5.944 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.448 3.318 3.582 1.00 0.00 C ATOM 0 H THR A 41 -5.372 4.948 4.696 1.00 0.00 H new ATOM 0 HA THR A 41 -6.016 2.508 3.443 1.00 0.00 H new ATOM 0 HB THR A 41 -4.069 1.658 4.780 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.932 4.335 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.389 3.179 3.798 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.696 2.818 2.646 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.663 4.383 3.492 1.00 0.00 H new ATOM 699 N LYS A 42 -7.198 2.863 6.383 1.00 0.00 N ATOM 700 CA LYS A 42 -8.059 2.267 7.388 1.00 0.00 C ATOM 701 C LYS A 42 -9.372 1.796 6.761 1.00 0.00 C ATOM 702 O LYS A 42 -10.036 0.895 7.273 1.00 0.00 O ATOM 703 CB LYS A 42 -8.297 3.287 8.506 1.00 0.00 C ATOM 704 CG LYS A 42 -9.598 3.109 9.261 1.00 0.00 C ATOM 705 CD LYS A 42 -9.652 3.991 10.499 1.00 0.00 C ATOM 706 CE LYS A 42 -9.316 5.444 10.190 1.00 0.00 C ATOM 707 NZ LYS A 42 -10.228 6.037 9.177 1.00 0.00 N ATOM 0 H LYS A 42 -7.112 3.877 6.454 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.577 1.387 7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.471 3.228 9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.277 4.288 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.435 3.349 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.710 2.065 9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.648 3.936 10.938 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.954 3.610 11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.369 6.029 11.108 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.289 5.507 9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.046 7.058 9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.062 5.586 8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.215 5.882 9.465 1.00 0.00 H new ATOM 721 N ASP A 43 -9.718 2.389 5.628 1.00 0.00 N ATOM 722 CA ASP A 43 -10.940 2.037 4.915 1.00 0.00 C ATOM 723 C ASP A 43 -10.628 0.991 3.848 1.00 0.00 C ATOM 724 O ASP A 43 -11.519 0.437 3.203 1.00 0.00 O ATOM 725 CB ASP A 43 -11.551 3.293 4.282 1.00 0.00 C ATOM 726 CG ASP A 43 -12.922 3.061 3.674 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.243 3.716 2.660 1.00 0.00 O ATOM 728 OD2 ASP A 43 -13.694 2.242 4.219 1.00 0.00 O ATOM 0 H ASP A 43 -9.167 3.121 5.179 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.663 1.616 5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.626 4.072 5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.878 3.664 3.509 1.00 0.00 H new ATOM 733 N LEU A 44 -9.345 0.709 3.692 1.00 0.00 N ATOM 734 CA LEU A 44 -8.877 -0.251 2.706 1.00 0.00 C ATOM 735 C LEU A 44 -8.968 -1.672 3.239 1.00 0.00 C ATOM 736 O LEU A 44 -8.657 -1.938 4.402 1.00 0.00 O ATOM 737 CB LEU A 44 -7.430 0.058 2.311 1.00 0.00 C ATOM 738 CG LEU A 44 -7.248 0.914 1.055 1.00 0.00 C ATOM 739 CD1 LEU A 44 -8.181 2.114 1.067 1.00 0.00 C ATOM 740 CD2 LEU A 44 -5.799 1.358 0.930 1.00 0.00 C ATOM 0 H LEU A 44 -8.601 1.137 4.243 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.518 -0.169 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.946 0.565 3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.905 -0.886 2.163 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.504 0.306 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.028 2.703 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.215 1.771 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.970 2.730 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.681 1.966 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.521 1.945 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.155 0.482 0.861 1.00 0.00 H new ATOM 752 N LYS A 45 -9.408 -2.579 2.387 1.00 0.00 N ATOM 753 CA LYS A 45 -9.439 -3.985 2.721 1.00 0.00 C ATOM 754 C LYS A 45 -8.235 -4.679 2.111 1.00 0.00 C ATOM 755 O LYS A 45 -8.140 -4.817 0.892 1.00 0.00 O ATOM 756 CB LYS A 45 -10.737 -4.617 2.216 1.00 0.00 C ATOM 757 CG LYS A 45 -10.731 -6.129 2.257 1.00 0.00 C ATOM 758 CD LYS A 45 -12.066 -6.703 1.820 1.00 0.00 C ATOM 759 CE LYS A 45 -12.049 -8.224 1.820 1.00 0.00 C ATOM 760 NZ LYS A 45 -11.733 -8.779 3.161 1.00 0.00 N ATOM 0 H LYS A 45 -9.751 -2.361 1.451 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.401 -4.100 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.568 -4.249 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.916 -4.290 1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.941 -6.508 1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.503 -6.466 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.851 -6.347 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.309 -6.341 0.821 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.020 -8.597 1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.312 -8.578 1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.929 -9.800 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.728 -8.618 3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.320 -8.308 3.879 1.00 0.00 H new ATOM 774 N ILE A 46 -7.303 -5.089 2.953 1.00 0.00 N ATOM 775 CA ILE A 46 -6.094 -5.732 2.478 1.00 0.00 C ATOM 776 C ILE A 46 -6.353 -7.190 2.141 1.00 0.00 C ATOM 777 O ILE A 46 -6.709 -7.995 3.002 1.00 0.00 O ATOM 778 CB ILE A 46 -4.943 -5.611 3.495 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.610 -4.131 3.719 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.719 -6.376 3.005 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.421 -3.893 4.615 1.00 0.00 C ATOM 0 H ILE A 46 -7.361 -4.988 3.966 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.788 -5.213 1.570 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.253 -6.048 4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.422 -3.662 2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.480 -3.636 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.915 -6.281 3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.974 -7.429 2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.392 -5.966 2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.254 -2.821 4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.611 -4.329 5.596 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.537 -4.356 4.177 1.00 0.00 H new ATOM 793 N LEU A 47 -6.175 -7.507 0.873 1.00 0.00 N ATOM 794 CA LEU A 47 -6.463 -8.828 0.351 1.00 0.00 C ATOM 795 C LEU A 47 -5.264 -9.739 0.547 1.00 0.00 C ATOM 796 O LEU A 47 -5.388 -10.866 1.023 1.00 0.00 O ATOM 797 CB LEU A 47 -6.771 -8.729 -1.143 1.00 0.00 C ATOM 798 CG LEU A 47 -7.571 -7.495 -1.570 1.00 0.00 C ATOM 799 CD1 LEU A 47 -7.746 -7.477 -3.081 1.00 0.00 C ATOM 800 CD2 LEU A 47 -8.926 -7.456 -0.878 1.00 0.00 C ATOM 0 H LEU A 47 -5.825 -6.852 0.173 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.321 -9.238 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.829 -8.738 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.323 -9.620 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.013 -6.608 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.316 -6.595 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.767 -7.450 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.280 -8.374 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.473 -6.570 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.494 -8.348 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.782 -7.422 0.202 1.00 0.00 H new ATOM 812 N LYS A 48 -4.099 -9.225 0.183 1.00 0.00 N ATOM 813 CA LYS A 48 -2.881 -10.000 0.203 1.00 0.00 C ATOM 814 C LYS A 48 -1.685 -9.104 0.481 1.00 0.00 C ATOM 815 O LYS A 48 -1.285 -8.305 -0.371 1.00 0.00 O ATOM 816 CB LYS A 48 -2.683 -10.716 -1.134 1.00 0.00 C ATOM 817 CG LYS A 48 -1.459 -11.618 -1.155 1.00 0.00 C ATOM 818 CD LYS A 48 -1.435 -12.529 -2.367 1.00 0.00 C ATOM 819 CE LYS A 48 -2.602 -13.504 -2.358 1.00 0.00 C ATOM 820 NZ LYS A 48 -2.534 -14.461 -3.491 1.00 0.00 N ATOM 0 H LYS A 48 -3.978 -8.263 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.963 -10.742 0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.569 -11.311 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.593 -9.973 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.558 -11.004 -1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.441 -12.223 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.470 -11.928 -3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.497 -13.084 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.607 -14.055 -1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.539 -12.949 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.347 -15.108 -3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.555 -13.937 -4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.652 -15.009 -3.430 1.00 0.00 H new ATOM 834 N THR A 49 -1.132 -9.224 1.671 1.00 0.00 N ATOM 835 CA THR A 49 0.096 -8.532 1.995 1.00 0.00 C ATOM 836 C THR A 49 1.270 -9.372 1.525 1.00 0.00 C ATOM 837 O THR A 49 1.355 -10.552 1.846 1.00 0.00 O ATOM 838 CB THR A 49 0.229 -8.290 3.510 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.987 -7.747 4.033 1.00 0.00 O ATOM 840 CG2 THR A 49 1.378 -7.338 3.805 1.00 0.00 C ATOM 0 H THR A 49 -1.513 -9.793 2.427 1.00 0.00 H new ATOM 0 HA THR A 49 0.084 -7.563 1.496 1.00 0.00 H new ATOM 0 HB THR A 49 0.433 -9.248 3.989 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.034 -7.919 4.997 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.454 -7.181 4.881 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.309 -7.766 3.434 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.196 -6.383 3.311 1.00 0.00 H new ATOM 848 N SER A 50 2.140 -8.794 0.724 1.00 0.00 N ATOM 849 CA SER A 50 3.342 -9.485 0.293 1.00 0.00 C ATOM 850 C SER A 50 4.403 -8.474 -0.106 1.00 0.00 C ATOM 851 O SER A 50 4.245 -7.272 0.120 1.00 0.00 O ATOM 852 CB SER A 50 3.043 -10.421 -0.888 1.00 0.00 C ATOM 853 OG SER A 50 2.138 -11.450 -0.522 1.00 0.00 O ATOM 0 H SER A 50 2.040 -7.848 0.357 1.00 0.00 H new ATOM 0 HA SER A 50 3.709 -10.087 1.124 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.625 -9.844 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.972 -10.863 -1.247 1.00 0.00 H new ATOM 0 HG SER A 50 2.040 -11.468 0.453 1.00 0.00 H new ATOM 859 N GLU A 51 5.477 -8.963 -0.691 1.00 0.00 N ATOM 860 CA GLU A 51 6.545 -8.114 -1.171 1.00 0.00 C ATOM 861 C GLU A 51 7.300 -8.847 -2.267 1.00 0.00 C ATOM 862 O GLU A 51 6.894 -9.936 -2.669 1.00 0.00 O ATOM 863 CB GLU A 51 7.477 -7.724 -0.012 1.00 0.00 C ATOM 864 CG GLU A 51 8.208 -8.889 0.639 1.00 0.00 C ATOM 865 CD GLU A 51 9.636 -9.030 0.150 1.00 0.00 C ATOM 866 OE1 GLU A 51 10.482 -8.207 0.551 1.00 0.00 O ATOM 867 OE2 GLU A 51 9.924 -9.973 -0.620 1.00 0.00 O ATOM 0 H GLU A 51 5.633 -9.959 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 51 6.133 -7.193 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.215 -7.012 -0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.891 -7.210 0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.210 -8.752 1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.666 -9.812 0.435 1.00 0.00 H new ATOM 874 N ASP A 52 8.355 -8.238 -2.770 1.00 0.00 N ATOM 875 CA ASP A 52 9.241 -8.897 -3.714 1.00 0.00 C ATOM 876 C ASP A 52 10.529 -8.104 -3.832 1.00 0.00 C ATOM 877 O ASP A 52 10.611 -7.127 -4.580 1.00 0.00 O ATOM 878 CB ASP A 52 8.585 -9.064 -5.091 1.00 0.00 C ATOM 879 CG ASP A 52 9.339 -10.031 -5.985 1.00 0.00 C ATOM 880 OD1 ASP A 52 9.160 -11.261 -5.828 1.00 0.00 O ATOM 881 OD2 ASP A 52 10.099 -9.577 -6.866 1.00 0.00 O ATOM 0 H ASP A 52 8.623 -7.281 -2.540 1.00 0.00 H new ATOM 0 HA ASP A 52 9.458 -9.897 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.562 -9.418 -4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.527 -8.092 -5.581 1.00 0.00 H new ATOM 886 N LYS A 53 11.508 -8.500 -3.026 1.00 0.00 N ATOM 887 CA LYS A 53 12.845 -7.916 -3.063 1.00 0.00 C ATOM 888 C LYS A 53 12.822 -6.466 -2.572 1.00 0.00 C ATOM 889 O LYS A 53 12.630 -6.212 -1.389 1.00 0.00 O ATOM 890 CB LYS A 53 13.468 -8.010 -4.472 1.00 0.00 C ATOM 891 CG LYS A 53 13.830 -9.429 -4.920 1.00 0.00 C ATOM 892 CD LYS A 53 12.605 -10.318 -5.075 1.00 0.00 C ATOM 893 CE LYS A 53 12.959 -11.699 -5.594 1.00 0.00 C ATOM 894 NZ LYS A 53 11.752 -12.553 -5.749 1.00 0.00 N ATOM 0 H LYS A 53 11.398 -9.235 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 53 13.474 -8.495 -2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.770 -7.584 -5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.368 -7.395 -4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.364 -9.382 -5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.509 -9.874 -4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.102 -10.412 -4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.900 -9.845 -5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.466 -11.608 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.658 -12.178 -4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.805 -13.352 -5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.901 -11.991 -5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.705 -12.914 -6.723 1.00 0.00 H new ATOM 908 N ARG A 54 12.970 -5.514 -3.476 1.00 0.00 N ATOM 909 CA ARG A 54 13.034 -4.107 -3.092 1.00 0.00 C ATOM 910 C ARG A 54 11.658 -3.464 -3.119 1.00 0.00 C ATOM 911 O ARG A 54 11.530 -2.242 -3.156 1.00 0.00 O ATOM 912 CB ARG A 54 13.973 -3.343 -4.021 1.00 0.00 C ATOM 913 CG ARG A 54 15.439 -3.492 -3.667 1.00 0.00 C ATOM 914 CD ARG A 54 16.311 -2.735 -4.648 1.00 0.00 C ATOM 915 NE ARG A 54 17.684 -2.596 -4.176 1.00 0.00 N ATOM 916 CZ ARG A 54 18.755 -2.845 -4.921 1.00 0.00 C ATOM 917 NH1 ARG A 54 18.613 -3.236 -6.181 1.00 0.00 N ATOM 918 NH2 ARG A 54 19.965 -2.678 -4.410 1.00 0.00 N ATOM 0 H ARG A 54 13.048 -5.684 -4.479 1.00 0.00 H new ATOM 0 HA ARG A 54 13.417 -4.061 -2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.819 -3.689 -5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.709 -2.286 -3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.613 -3.120 -2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.713 -4.547 -3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.310 -3.253 -5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.886 -1.746 -4.820 1.00 0.00 H new ATOM 0 HE ARG A 54 17.831 -2.289 -3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.680 -3.346 -6.579 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.437 -3.427 -6.752 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.072 -2.359 -3.447 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.790 -2.868 -4.979 1.00 0.00 H new ATOM 932 N PHE A 55 10.629 -4.287 -3.073 1.00 0.00 N ATOM 933 CA PHE A 55 9.266 -3.801 -3.240 1.00 0.00 C ATOM 934 C PHE A 55 8.319 -4.480 -2.263 1.00 0.00 C ATOM 935 O PHE A 55 8.454 -5.666 -1.993 1.00 0.00 O ATOM 936 CB PHE A 55 8.770 -4.066 -4.668 1.00 0.00 C ATOM 937 CG PHE A 55 9.495 -3.311 -5.750 1.00 0.00 C ATOM 938 CD1 PHE A 55 10.720 -3.754 -6.229 1.00 0.00 C ATOM 939 CD2 PHE A 55 8.942 -2.167 -6.298 1.00 0.00 C ATOM 940 CE1 PHE A 55 11.378 -3.066 -7.230 1.00 0.00 C ATOM 941 CE2 PHE A 55 9.596 -1.475 -7.300 1.00 0.00 C ATOM 942 CZ PHE A 55 10.815 -1.925 -7.766 1.00 0.00 C ATOM 0 H PHE A 55 10.706 -5.293 -2.922 1.00 0.00 H new ATOM 0 HA PHE A 55 9.278 -2.729 -3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.855 -5.133 -4.873 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.711 -3.815 -4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.164 -4.647 -5.814 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.988 -1.811 -5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 55 12.332 -3.420 -7.593 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.154 -0.583 -7.718 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.327 -1.385 -8.549 1.00 0.00 H new ATOM 952 N TYR A 56 7.386 -3.713 -1.723 1.00 0.00 N ATOM 953 CA TYR A 56 6.251 -4.276 -1.005 1.00 0.00 C ATOM 954 C TYR A 56 5.038 -4.282 -1.915 1.00 0.00 C ATOM 955 O TYR A 56 4.851 -3.365 -2.718 1.00 0.00 O ATOM 956 CB TYR A 56 5.928 -3.484 0.262 1.00 0.00 C ATOM 957 CG TYR A 56 6.747 -3.876 1.467 1.00 0.00 C ATOM 958 CD1 TYR A 56 7.791 -3.080 1.913 1.00 0.00 C ATOM 959 CD2 TYR A 56 6.461 -5.040 2.166 1.00 0.00 C ATOM 960 CE1 TYR A 56 8.531 -3.437 3.023 1.00 0.00 C ATOM 961 CE2 TYR A 56 7.195 -5.403 3.276 1.00 0.00 C ATOM 962 CZ TYR A 56 8.229 -4.598 3.702 1.00 0.00 C ATOM 963 OH TYR A 56 8.965 -4.956 4.807 1.00 0.00 O ATOM 0 H TYR A 56 7.392 -2.694 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 56 6.512 -5.291 -0.707 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.082 -2.424 0.062 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.872 -3.614 0.498 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.029 -2.168 1.385 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.650 -5.672 1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.343 -2.809 3.358 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.961 -6.313 3.808 1.00 0.00 H new ATOM 0 HH TYR A 56 9.254 -5.888 4.719 1.00 0.00 H new ATOM 973 N TYR A 57 4.221 -5.308 -1.789 1.00 0.00 N ATOM 974 CA TYR A 57 3.044 -5.455 -2.625 1.00 0.00 C ATOM 975 C TYR A 57 1.815 -5.727 -1.777 1.00 0.00 C ATOM 976 O TYR A 57 1.558 -6.866 -1.380 1.00 0.00 O ATOM 977 CB TYR A 57 3.247 -6.583 -3.636 1.00 0.00 C ATOM 978 CG TYR A 57 4.285 -6.269 -4.683 1.00 0.00 C ATOM 979 CD1 TYR A 57 4.035 -5.323 -5.664 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.510 -6.919 -4.695 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.978 -5.031 -6.625 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.459 -6.630 -5.655 1.00 0.00 C ATOM 983 CZ TYR A 57 6.187 -5.687 -6.617 1.00 0.00 C ATOM 984 OH TYR A 57 7.128 -5.389 -7.575 1.00 0.00 O ATOM 0 H TYR A 57 4.351 -6.058 -1.111 1.00 0.00 H new ATOM 0 HA TYR A 57 2.891 -4.522 -3.166 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.540 -7.489 -3.105 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.298 -6.795 -4.128 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.086 -4.807 -5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.725 -7.663 -3.942 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.769 -4.290 -7.382 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.410 -7.142 -5.650 1.00 0.00 H new ATOM 0 HH TYR A 57 7.825 -4.822 -7.184 1.00 0.00 H new ATOM 994 N VAL A 58 1.068 -4.679 -1.479 1.00 0.00 N ATOM 995 CA VAL A 58 -0.132 -4.821 -0.678 1.00 0.00 C ATOM 996 C VAL A 58 -1.371 -4.726 -1.555 1.00 0.00 C ATOM 997 O VAL A 58 -1.826 -3.633 -1.887 1.00 0.00 O ATOM 998 CB VAL A 58 -0.220 -3.760 0.439 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.284 -4.157 1.448 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.128 -3.569 1.114 1.00 0.00 C ATOM 0 H VAL A 58 1.271 -3.725 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.081 -5.803 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.502 -2.806 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.340 -3.403 2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.250 -4.233 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.027 -5.121 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.039 -2.816 1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.452 -4.513 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.861 -3.241 0.377 1.00 0.00 H new ATOM 1010 N SER A 59 -1.893 -5.875 -1.951 1.00 0.00 N ATOM 1011 CA SER A 59 -3.102 -5.925 -2.758 1.00 0.00 C ATOM 1012 C SER A 59 -4.299 -5.605 -1.880 1.00 0.00 C ATOM 1013 O SER A 59 -4.601 -6.352 -0.951 1.00 0.00 O ATOM 1014 CB SER A 59 -3.263 -7.315 -3.379 1.00 0.00 C ATOM 1015 OG SER A 59 -4.228 -7.315 -4.416 1.00 0.00 O ATOM 0 H SER A 59 -1.498 -6.788 -1.726 1.00 0.00 H new ATOM 0 HA SER A 59 -3.033 -5.192 -3.562 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.304 -7.651 -3.774 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.557 -8.027 -2.608 1.00 0.00 H new ATOM 0 HG SER A 59 -4.305 -8.217 -4.792 1.00 0.00 H new ATOM 1021 N VAL A 60 -4.961 -4.491 -2.148 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.084 -4.067 -1.327 1.00 0.00 C ATOM 1023 C VAL A 60 -7.270 -3.654 -2.182 1.00 0.00 C ATOM 1024 O VAL A 60 -7.140 -3.420 -3.384 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.712 -2.875 -0.417 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.471 -3.185 0.395 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.515 -1.611 -1.235 1.00 0.00 C ATOM 0 H VAL A 60 -4.742 -3.866 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.350 -4.926 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.538 -2.707 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.228 -2.332 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.654 -4.060 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.637 -3.387 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.254 -0.786 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.712 -1.766 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.437 -1.373 -1.765 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.423 -3.574 -1.546 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.594 -2.984 -2.159 1.00 0.00 C ATOM 1039 C ASP A 61 -9.762 -1.580 -1.597 1.00 0.00 C ATOM 1040 O ASP A 61 -9.772 -1.395 -0.378 1.00 0.00 O ATOM 1041 CB ASP A 61 -10.839 -3.824 -1.872 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.013 -3.436 -2.746 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.404 -4.251 -3.612 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.553 -2.324 -2.575 1.00 0.00 O ATOM 0 H ASP A 61 -8.573 -3.914 -0.596 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.466 -2.946 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.607 -4.878 -2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.117 -3.710 -0.824 1.00 0.00 H new ATOM 1049 N ALA A 62 -9.873 -0.595 -2.475 1.00 0.00 N ATOM 1050 CA ALA A 62 -9.890 0.801 -2.056 1.00 0.00 C ATOM 1051 C ALA A 62 -11.254 1.221 -1.516 1.00 0.00 C ATOM 1052 O ALA A 62 -11.443 2.371 -1.119 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.477 1.702 -3.208 1.00 0.00 C ATOM 0 H ALA A 62 -9.953 -0.735 -3.482 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.172 0.906 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.494 2.742 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.470 1.440 -3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.171 1.571 -4.039 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.207 0.298 -1.521 1.00 0.00 N ATOM 1060 CA GLY A 63 -13.528 0.594 -1.007 1.00 0.00 C ATOM 1061 C GLY A 63 -14.438 1.128 -2.088 1.00 0.00 C ATOM 1062 O GLY A 63 -15.579 0.690 -2.225 1.00 0.00 O ATOM 0 H GLY A 63 -12.087 -0.652 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.963 -0.309 -0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.451 1.325 -0.202 1.00 0.00 H new ATOM 1066 N ASP A 64 -13.913 2.072 -2.862 1.00 0.00 N ATOM 1067 CA ASP A 64 -14.622 2.631 -4.009 1.00 0.00 C ATOM 1068 C ASP A 64 -15.046 1.534 -4.973 1.00 0.00 C ATOM 1069 O ASP A 64 -16.139 1.567 -5.539 1.00 0.00 O ATOM 1070 CB ASP A 64 -13.723 3.631 -4.740 1.00 0.00 C ATOM 1071 CG ASP A 64 -14.312 4.090 -6.060 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -15.030 5.109 -6.071 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -14.050 3.442 -7.092 1.00 0.00 O ATOM 0 H ASP A 64 -12.986 2.471 -2.713 1.00 0.00 H new ATOM 0 HA ASP A 64 -15.515 3.138 -3.643 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.555 4.498 -4.101 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.750 3.175 -4.920 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.179 0.553 -5.132 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.424 -0.512 -6.075 1.00 0.00 C ATOM 1080 C GLY A 65 -13.153 -0.933 -6.770 1.00 0.00 C ATOM 1081 O GLY A 65 -13.051 -2.045 -7.285 1.00 0.00 O ATOM 0 H GLY A 65 -13.301 0.474 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.858 -1.367 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.154 -0.184 -6.815 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.174 -0.040 -6.779 1.00 0.00 N ATOM 1086 CA GLU A 66 -10.894 -0.324 -7.402 1.00 0.00 C ATOM 1087 C GLU A 66 -10.028 -1.177 -6.491 1.00 0.00 C ATOM 1088 O GLU A 66 -10.083 -1.062 -5.264 1.00 0.00 O ATOM 1089 CB GLU A 66 -10.174 0.971 -7.782 1.00 0.00 C ATOM 1090 CG GLU A 66 -10.086 1.975 -6.651 1.00 0.00 C ATOM 1091 CD GLU A 66 -9.555 3.326 -7.095 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -8.322 3.515 -7.111 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -10.372 4.218 -7.408 1.00 0.00 O ATOM 0 H GLU A 66 -12.244 0.888 -6.361 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.080 -0.887 -8.316 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.166 0.730 -8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.692 1.430 -8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.075 2.106 -6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.440 1.577 -5.869 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.244 -2.047 -7.101 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.348 -2.909 -6.370 1.00 0.00 C ATOM 1102 C LYS A 67 -6.917 -2.543 -6.695 1.00 0.00 C ATOM 1103 O LYS A 67 -6.474 -2.661 -7.841 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.620 -4.383 -6.673 1.00 0.00 C ATOM 1105 CG LYS A 67 -9.714 -4.985 -5.807 1.00 0.00 C ATOM 1106 CD LYS A 67 -9.938 -6.452 -6.126 1.00 0.00 C ATOM 1107 CE LYS A 67 -10.862 -7.104 -5.111 1.00 0.00 C ATOM 1108 NZ LYS A 67 -12.224 -6.510 -5.116 1.00 0.00 N ATOM 0 H LYS A 67 -9.214 -2.172 -8.113 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.519 -2.765 -5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.899 -4.485 -7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.701 -4.951 -6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.447 -4.878 -4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.642 -4.434 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.365 -6.548 -7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.981 -6.974 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.934 -8.171 -5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.430 -7.005 -4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.894 -7.175 -4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.217 -5.622 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.515 -6.317 -6.096 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.203 -2.093 -5.686 1.00 0.00 N ATOM 1123 CA CYS A 68 -4.886 -1.532 -5.876 1.00 0.00 C ATOM 1124 C CYS A 68 -3.847 -2.346 -5.149 1.00 0.00 C ATOM 1125 O CYS A 68 -3.953 -2.584 -3.948 1.00 0.00 O ATOM 1126 CB CYS A 68 -4.854 -0.101 -5.353 1.00 0.00 C ATOM 1127 SG CYS A 68 -6.300 0.895 -5.829 1.00 0.00 S ATOM 0 H CYS A 68 -6.518 -2.106 -4.716 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.661 -1.544 -6.943 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.784 -0.124 -4.265 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.952 0.389 -5.720 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.854 -2.781 -5.882 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.688 -3.377 -5.281 1.00 0.00 C ATOM 1134 C LYS A 69 -0.739 -2.253 -4.901 1.00 0.00 C ATOM 1135 O LYS A 69 -0.016 -1.729 -5.750 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.012 -4.334 -6.258 1.00 0.00 C ATOM 1137 CG LYS A 69 0.212 -5.020 -5.687 1.00 0.00 C ATOM 1138 CD LYS A 69 -0.120 -6.398 -5.146 1.00 0.00 C ATOM 1139 CE LYS A 69 -0.486 -7.354 -6.269 1.00 0.00 C ATOM 1140 NZ LYS A 69 -0.597 -8.757 -5.796 1.00 0.00 N ATOM 0 H LYS A 69 -2.830 -2.733 -6.901 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.970 -3.952 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.732 -5.092 -6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.725 -3.783 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.975 -5.107 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.634 -4.408 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.734 -6.791 -4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.949 -6.325 -4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.433 -7.046 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.268 -7.295 -7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.475 -9.405 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.140 -8.943 -5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.534 -8.907 -5.370 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.798 -1.833 -3.648 1.00 0.00 N ATOM 1155 CA PHE A 70 0.048 -0.752 -3.181 1.00 0.00 C ATOM 1156 C PHE A 70 1.500 -1.165 -3.237 1.00 0.00 C ATOM 1157 O PHE A 70 1.938 -2.068 -2.519 1.00 0.00 O ATOM 1158 CB PHE A 70 -0.344 -0.308 -1.773 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.440 0.714 -1.778 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -1.140 2.062 -1.684 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.764 0.335 -1.897 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -2.142 3.011 -1.706 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.772 1.280 -1.916 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.459 2.620 -1.821 1.00 0.00 C ATOM 0 H PHE A 70 -1.420 -2.223 -2.940 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.094 0.103 -3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.664 -1.177 -1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.530 0.104 -1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.110 2.375 -1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.014 -0.713 -1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.894 4.060 -1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.803 0.970 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.244 3.361 -1.837 1.00 0.00 H new ATOM 1174 N LYS A 71 2.234 -0.506 -4.109 1.00 0.00 N ATOM 1175 CA LYS A 71 3.603 -0.859 -4.367 1.00 0.00 C ATOM 1176 C LYS A 71 4.512 -0.042 -3.483 1.00 0.00 C ATOM 1177 O LYS A 71 5.064 0.988 -3.890 1.00 0.00 O ATOM 1178 CB LYS A 71 3.910 -0.651 -5.843 1.00 0.00 C ATOM 1179 CG LYS A 71 5.370 -0.784 -6.228 1.00 0.00 C ATOM 1180 CD LYS A 71 5.504 -0.702 -7.731 1.00 0.00 C ATOM 1181 CE LYS A 71 5.312 -2.061 -8.370 1.00 0.00 C ATOM 1182 NZ LYS A 71 6.557 -2.869 -8.390 1.00 0.00 N ATOM 0 H LYS A 71 1.894 0.286 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 71 3.772 -1.910 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.332 -1.371 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.564 0.341 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.955 0.006 -5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.767 -1.733 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.767 -0.003 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.487 -0.310 -7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.539 -2.606 -7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.953 -1.930 -9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.873 -2.995 -9.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.297 -2.379 -7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.374 -3.800 -7.963 1.00 0.00 H new ATOM 1196 N ILE A 72 4.635 -0.486 -2.253 1.00 0.00 N ATOM 1197 CA ILE A 72 5.500 0.176 -1.315 1.00 0.00 C ATOM 1198 C ILE A 72 6.926 -0.215 -1.615 1.00 0.00 C ATOM 1199 O ILE A 72 7.491 -1.103 -0.975 1.00 0.00 O ATOM 1200 CB ILE A 72 5.164 -0.168 0.148 1.00 0.00 C ATOM 1201 CG1 ILE A 72 3.687 0.109 0.431 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.049 0.642 1.087 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.209 -0.430 1.767 1.00 0.00 C ATOM 0 H ILE A 72 4.146 -1.301 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 72 5.357 1.251 -1.427 1.00 0.00 H new ATOM 0 HB ILE A 72 5.353 -1.228 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.516 1.185 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.085 -0.331 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.806 0.394 2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.096 0.407 0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.879 1.706 0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.153 -0.195 1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.347 -1.511 1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.784 0.029 2.571 1.00 0.00 H new ATOM 1215 N ARG A 73 7.471 0.382 -2.659 1.00 0.00 N ATOM 1216 CA ARG A 73 8.872 0.218 -2.952 1.00 0.00 C ATOM 1217 C ARG A 73 9.629 0.576 -1.700 1.00 0.00 C ATOM 1218 O ARG A 73 9.392 1.631 -1.118 1.00 0.00 O ATOM 1219 CB ARG A 73 9.294 1.110 -4.117 1.00 0.00 C ATOM 1220 CG ARG A 73 10.658 0.767 -4.693 1.00 0.00 C ATOM 1221 CD ARG A 73 10.952 1.568 -5.947 1.00 0.00 C ATOM 1222 NE ARG A 73 12.201 1.155 -6.580 1.00 0.00 N ATOM 1223 CZ ARG A 73 12.650 1.652 -7.729 1.00 0.00 C ATOM 1224 NH1 ARG A 73 11.974 2.607 -8.355 1.00 0.00 N ATOM 1225 NH2 ARG A 73 13.778 1.196 -8.247 1.00 0.00 N ATOM 0 H ARG A 73 6.964 0.980 -3.311 1.00 0.00 H new ATOM 0 HA ARG A 73 9.084 -0.809 -3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.547 1.035 -4.908 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.302 2.148 -3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.428 0.962 -3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.699 -0.298 -4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.131 1.449 -6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.006 2.627 -5.696 1.00 0.00 H new ATOM 0 HE ARG A 73 12.763 0.443 -6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.106 2.963 -7.955 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.323 2.985 -9.236 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.301 0.465 -7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.125 1.575 -9.128 1.00 0.00 H new ATOM 1239 N LYS A 74 10.472 -0.329 -1.248 1.00 0.00 N ATOM 1240 CA LYS A 74 11.169 -0.131 0.010 1.00 0.00 C ATOM 1241 C LYS A 74 12.014 1.133 -0.049 1.00 0.00 C ATOM 1242 O LYS A 74 12.189 1.714 -1.119 1.00 0.00 O ATOM 1243 CB LYS A 74 12.022 -1.353 0.362 1.00 0.00 C ATOM 1244 CG LYS A 74 11.198 -2.620 0.532 1.00 0.00 C ATOM 1245 CD LYS A 74 12.054 -3.817 0.915 1.00 0.00 C ATOM 1246 CE LYS A 74 11.196 -5.055 1.124 1.00 0.00 C ATOM 1247 NZ LYS A 74 12.012 -6.277 1.343 1.00 0.00 N ATOM 0 H LYS A 74 10.691 -1.203 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 74 10.429 -0.010 0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.764 -1.510 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.569 -1.155 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.440 -2.458 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.671 -2.835 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.790 -4.008 0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.608 -3.596 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.541 -4.900 1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.554 -5.200 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.389 -7.109 1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.690 -6.386 0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.529 -6.193 2.241 1.00 0.00 H new ATOM 1261 N ASP A 75 12.561 1.538 1.091 1.00 0.00 N ATOM 1262 CA ASP A 75 13.288 2.807 1.198 1.00 0.00 C ATOM 1263 C ASP A 75 14.638 2.719 0.482 1.00 0.00 C ATOM 1264 O ASP A 75 15.584 3.427 0.813 1.00 0.00 O ATOM 1265 CB ASP A 75 13.494 3.163 2.672 1.00 0.00 C ATOM 1266 CG ASP A 75 13.541 4.659 2.928 1.00 0.00 C ATOM 1267 OD1 ASP A 75 12.468 5.249 3.188 1.00 0.00 O ATOM 1268 OD2 ASP A 75 14.643 5.245 2.917 1.00 0.00 O ATOM 0 H ASP A 75 12.517 1.007 1.961 1.00 0.00 H new ATOM 0 HA ASP A 75 12.698 3.589 0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.687 2.726 3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.423 2.712 3.021 1.00 0.00 H new ATOM 1273 N VAL A 76 14.707 1.847 -0.504 1.00 0.00 N ATOM 1274 CA VAL A 76 15.907 1.640 -1.276 1.00 0.00 C ATOM 1275 C VAL A 76 16.052 2.757 -2.303 1.00 0.00 C ATOM 1276 O VAL A 76 15.143 2.990 -3.104 1.00 0.00 O ATOM 1277 CB VAL A 76 15.887 0.261 -1.979 1.00 0.00 C ATOM 1278 CG1 VAL A 76 15.928 -0.857 -0.949 1.00 0.00 C ATOM 1279 CG2 VAL A 76 14.663 0.108 -2.876 1.00 0.00 C ATOM 0 H VAL A 76 13.924 1.260 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 76 16.762 1.656 -0.600 1.00 0.00 H new ATOM 0 HB VAL A 76 16.773 0.197 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.913 -1.821 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 76 16.839 -0.773 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.061 -0.780 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.682 -0.872 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.758 0.202 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.673 0.884 -3.641 1.00 0.00 H new ATOM 1289 N ASP A 77 17.183 3.458 -2.249 1.00 0.00 N ATOM 1290 CA ASP A 77 17.440 4.616 -3.124 1.00 0.00 C ATOM 1291 C ASP A 77 16.562 5.809 -2.737 1.00 0.00 C ATOM 1292 O ASP A 77 17.056 6.842 -2.284 1.00 0.00 O ATOM 1293 CB ASP A 77 17.193 4.265 -4.596 1.00 0.00 C ATOM 1294 CG ASP A 77 17.468 5.427 -5.528 1.00 0.00 C ATOM 1295 OD1 ASP A 77 18.624 5.577 -5.976 1.00 0.00 O ATOM 1296 OD2 ASP A 77 16.528 6.190 -5.835 1.00 0.00 O ATOM 0 H ASP A 77 17.946 3.247 -1.605 1.00 0.00 H new ATOM 0 HA ASP A 77 18.488 4.887 -2.993 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.826 3.423 -4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.159 3.942 -4.720 1.00 0.00 H new ATOM 1301 N VAL A 78 15.259 5.655 -2.923 1.00 0.00 N ATOM 1302 CA VAL A 78 14.298 6.693 -2.588 1.00 0.00 C ATOM 1303 C VAL A 78 13.585 6.312 -1.301 1.00 0.00 C ATOM 1304 O VAL A 78 13.524 5.140 -0.940 1.00 0.00 O ATOM 1305 CB VAL A 78 13.233 6.870 -3.708 1.00 0.00 C ATOM 1306 CG1 VAL A 78 12.181 5.787 -3.593 1.00 0.00 C ATOM 1307 CG2 VAL A 78 12.546 8.226 -3.648 1.00 0.00 C ATOM 0 H VAL A 78 14.840 4.809 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 78 14.841 7.631 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 78 13.759 6.799 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.438 5.916 -4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.652 4.810 -3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.694 5.854 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.812 8.298 -4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.044 8.337 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.289 9.016 -3.763 1.00 0.00 H new ATOM 1317 N PRO A 79 13.098 7.296 -0.569 1.00 0.00 N ATOM 1318 CA PRO A 79 12.133 7.065 0.488 1.00 0.00 C ATOM 1319 C PRO A 79 10.738 6.810 -0.074 1.00 0.00 C ATOM 1320 O PRO A 79 10.393 7.327 -1.134 1.00 0.00 O ATOM 1321 CB PRO A 79 12.139 8.382 1.245 1.00 0.00 C ATOM 1322 CG PRO A 79 12.509 9.393 0.229 1.00 0.00 C ATOM 1323 CD PRO A 79 13.477 8.708 -0.678 1.00 0.00 C ATOM 0 HA PRO A 79 12.381 6.194 1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.162 8.595 1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.855 8.364 2.066 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.633 9.737 -0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.959 10.270 0.694 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.393 9.069 -1.703 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.508 8.873 -0.365 1.00 0.00 H new ATOM 1331 N LYS A 80 9.976 5.986 0.635 1.00 0.00 N ATOM 1332 CA LYS A 80 8.535 5.806 0.423 1.00 0.00 C ATOM 1333 C LYS A 80 8.210 5.012 -0.836 1.00 0.00 C ATOM 1334 O LYS A 80 9.085 4.472 -1.506 1.00 0.00 O ATOM 1335 CB LYS A 80 7.788 7.154 0.432 1.00 0.00 C ATOM 1336 CG LYS A 80 7.643 7.834 -0.924 1.00 0.00 C ATOM 1337 CD LYS A 80 7.366 9.307 -0.754 1.00 0.00 C ATOM 1338 CE LYS A 80 8.520 9.984 -0.033 1.00 0.00 C ATOM 1339 NZ LYS A 80 8.285 11.437 0.175 1.00 0.00 N ATOM 0 H LYS A 80 10.345 5.409 1.391 1.00 0.00 H new ATOM 0 HA LYS A 80 8.181 5.212 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.793 6.995 0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.310 7.834 1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.554 7.695 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.833 7.369 -1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.216 9.770 -1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.444 9.447 -0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.674 9.502 0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.435 9.846 -0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.099 11.853 0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.164 11.904 -0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.427 11.572 0.747 1.00 0.00 H new ATOM 1353 N MET A 81 6.924 4.973 -1.142 1.00 0.00 N ATOM 1354 CA MET A 81 6.391 4.122 -2.186 1.00 0.00 C ATOM 1355 C MET A 81 6.677 4.723 -3.547 1.00 0.00 C ATOM 1356 O MET A 81 6.353 5.888 -3.797 1.00 0.00 O ATOM 1357 CB MET A 81 4.879 3.974 -2.033 1.00 0.00 C ATOM 1358 CG MET A 81 4.401 3.860 -0.598 1.00 0.00 C ATOM 1359 SD MET A 81 2.608 3.749 -0.497 1.00 0.00 S ATOM 1360 CE MET A 81 2.150 5.232 -1.395 1.00 0.00 C ATOM 0 H MET A 81 6.218 5.536 -0.668 1.00 0.00 H new ATOM 0 HA MET A 81 6.868 3.146 -2.101 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.394 4.832 -2.497 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.556 3.090 -2.582 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.846 2.979 -0.136 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.744 4.725 -0.031 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.065 5.336 -1.396 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.597 6.102 -0.914 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.509 5.161 -2.422 1.00 0.00 H new ATOM 1370 N VAL A 82 7.281 3.936 -4.421 1.00 0.00 N ATOM 1371 CA VAL A 82 7.474 4.356 -5.805 1.00 0.00 C ATOM 1372 C VAL A 82 6.125 4.642 -6.463 1.00 0.00 C ATOM 1373 O VAL A 82 6.028 5.462 -7.376 1.00 0.00 O ATOM 1374 CB VAL A 82 8.237 3.299 -6.642 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.390 2.054 -6.877 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.700 3.890 -7.967 1.00 0.00 C ATOM 0 H VAL A 82 7.645 3.009 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 82 8.079 5.262 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 82 9.116 3.000 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.957 1.334 -7.467 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.125 1.608 -5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.482 2.328 -7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.233 3.130 -8.538 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.835 4.230 -8.536 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.364 4.733 -7.777 1.00 0.00 H new ATOM 1386 N GLY A 83 5.082 3.972 -5.984 1.00 0.00 N ATOM 1387 CA GLY A 83 3.771 4.180 -6.538 1.00 0.00 C ATOM 1388 C GLY A 83 2.769 3.129 -6.116 1.00 0.00 C ATOM 1389 O GLY A 83 2.963 2.396 -5.143 1.00 0.00 O ATOM 0 H GLY A 83 5.128 3.293 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.407 5.161 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.841 4.189 -7.626 1.00 0.00 H new ATOM 1393 N ARG A 84 1.702 3.059 -6.872 1.00 0.00 N ATOM 1394 CA ARG A 84 0.624 2.128 -6.637 1.00 0.00 C ATOM 1395 C ARG A 84 -0.089 1.947 -7.955 1.00 0.00 C ATOM 1396 O ARG A 84 -0.079 2.859 -8.782 1.00 0.00 O ATOM 1397 CB ARG A 84 -0.359 2.663 -5.586 1.00 0.00 C ATOM 1398 CG ARG A 84 -1.236 3.796 -6.104 1.00 0.00 C ATOM 1399 CD ARG A 84 -2.391 4.097 -5.166 1.00 0.00 C ATOM 1400 NE ARG A 84 -3.315 5.074 -5.744 1.00 0.00 N ATOM 1401 CZ ARG A 84 -4.627 5.101 -5.500 1.00 0.00 C ATOM 1402 NH1 ARG A 84 -5.184 4.191 -4.713 1.00 0.00 N ATOM 1403 NH2 ARG A 84 -5.388 6.036 -6.047 1.00 0.00 N ATOM 0 H ARG A 84 1.554 3.659 -7.684 1.00 0.00 H new ATOM 0 HA ARG A 84 1.019 1.185 -6.258 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.996 1.847 -5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.201 3.014 -4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.630 4.693 -6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.627 3.532 -7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.928 3.175 -4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.003 4.477 -4.221 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.932 5.779 -6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.609 3.463 -4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.187 4.219 -4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.972 6.739 -6.658 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.390 6.053 -5.858 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.687 0.803 -8.181 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.396 0.606 -9.422 1.00 0.00 C ATOM 1419 C LYS A 85 -2.620 -0.257 -9.214 1.00 0.00 C ATOM 1420 O LYS A 85 -2.519 -1.462 -8.985 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.479 -0.019 -10.470 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.749 0.469 -11.883 1.00 0.00 C ATOM 1423 CD LYS A 85 -0.441 1.950 -12.018 1.00 0.00 C ATOM 1424 CE LYS A 85 -0.833 2.487 -13.382 1.00 0.00 C ATOM 1425 NZ LYS A 85 -2.294 2.374 -13.624 1.00 0.00 N ATOM 0 H LYS A 85 -0.699 0.011 -7.539 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.723 1.582 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.557 0.199 -10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.593 -1.103 -10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.142 -0.098 -12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.792 0.286 -12.141 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.972 2.503 -11.244 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.624 2.116 -11.855 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.532 3.532 -13.461 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.294 1.941 -14.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.567 3.007 -14.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.529 1.393 -13.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.810 2.643 -12.762 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.773 0.376 -9.247 1.00 0.00 N ATOM 1440 CA CYS A 86 -5.020 -0.351 -9.260 1.00 0.00 C ATOM 1441 C CYS A 86 -5.229 -0.879 -10.667 1.00 0.00 C ATOM 1442 O CYS A 86 -5.454 -0.114 -11.602 1.00 0.00 O ATOM 1443 CB CYS A 86 -6.171 0.556 -8.853 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.725 1.769 -7.564 1.00 0.00 S ATOM 0 H CYS A 86 -3.871 1.391 -9.265 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.986 -1.175 -8.547 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.531 1.089 -9.733 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.996 -0.058 -8.492 1.00 0.00 H new ATOM 1449 N ARG A 87 -5.138 -2.184 -10.821 1.00 0.00 N ATOM 1450 CA ARG A 87 -5.088 -2.776 -12.152 1.00 0.00 C ATOM 1451 C ARG A 87 -6.483 -3.176 -12.613 1.00 0.00 C ATOM 1452 O ARG A 87 -6.647 -4.104 -13.403 1.00 0.00 O ATOM 1453 CB ARG A 87 -4.159 -3.998 -12.196 1.00 0.00 C ATOM 1454 CG ARG A 87 -2.818 -3.829 -11.502 1.00 0.00 C ATOM 1455 CD ARG A 87 -1.823 -4.815 -12.082 1.00 0.00 C ATOM 1456 NE ARG A 87 -0.673 -5.083 -11.225 1.00 0.00 N ATOM 1457 CZ ARG A 87 0.467 -5.610 -11.684 1.00 0.00 C ATOM 1458 NH1 ARG A 87 0.681 -5.700 -12.992 1.00 0.00 N ATOM 1459 NH2 ARG A 87 1.418 -5.989 -10.843 1.00 0.00 N ATOM 0 H ARG A 87 -5.097 -2.854 -10.053 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.687 -2.019 -12.827 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.678 -4.843 -11.743 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.978 -4.257 -13.239 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.455 -2.810 -11.632 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.927 -3.994 -10.430 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.337 -5.755 -12.285 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.467 -4.433 -13.039 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.742 -4.859 -10.232 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.025 -5.367 -13.648 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.551 -6.102 -13.340 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.283 -5.880 -9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.285 -6.390 -11.201 1.00 0.00 H new ATOM 1473 N LYS A 88 -7.486 -2.452 -12.131 1.00 0.00 N ATOM 1474 CA LYS A 88 -8.869 -2.743 -12.475 1.00 0.00 C ATOM 1475 C LYS A 88 -9.198 -2.247 -13.879 1.00 0.00 C ATOM 1476 O LYS A 88 -10.036 -2.831 -14.566 1.00 0.00 O ATOM 1477 CB LYS A 88 -9.816 -2.120 -11.444 1.00 0.00 C ATOM 1478 CG LYS A 88 -9.760 -2.796 -10.078 1.00 0.00 C ATOM 1479 CD LYS A 88 -10.365 -4.193 -10.113 1.00 0.00 C ATOM 1480 CE LYS A 88 -11.802 -4.184 -10.625 1.00 0.00 C ATOM 1481 NZ LYS A 88 -12.701 -3.347 -9.787 1.00 0.00 N ATOM 0 H LYS A 88 -7.366 -1.659 -11.501 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.005 -3.824 -12.462 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.570 -1.064 -11.328 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.837 -2.170 -11.823 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.724 -2.857 -9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.294 -2.187 -9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.757 -4.835 -10.751 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.340 -4.623 -9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.817 -3.813 -11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.181 -5.206 -10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -13.608 -3.839 -9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -12.257 -3.180 -8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -12.868 -2.436 -10.260 1.00 0.00 H new ATOM 1495 N ASP A 89 -8.531 -1.179 -14.309 1.00 0.00 N ATOM 1496 CA ASP A 89 -8.747 -0.639 -15.651 1.00 0.00 C ATOM 1497 C ASP A 89 -7.425 -0.415 -16.375 1.00 0.00 C ATOM 1498 O ASP A 89 -7.217 -0.925 -17.477 1.00 0.00 O ATOM 1499 CB ASP A 89 -9.527 0.679 -15.600 1.00 0.00 C ATOM 1500 CG ASP A 89 -10.912 0.528 -15.003 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -11.803 -0.038 -15.675 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -11.119 0.993 -13.864 1.00 0.00 O ATOM 0 H ASP A 89 -7.841 -0.673 -13.754 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.332 -1.376 -16.201 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.963 1.406 -15.015 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -9.615 1.081 -16.609 1.00 0.00 H new ATOM 1507 N ASP A 90 -6.533 0.348 -15.759 1.00 0.00 N ATOM 1508 CA ASP A 90 -5.247 0.673 -16.372 1.00 0.00 C ATOM 1509 C ASP A 90 -4.087 0.101 -15.569 1.00 0.00 C ATOM 1510 O ASP A 90 -3.974 0.336 -14.366 1.00 0.00 O ATOM 1511 CB ASP A 90 -5.078 2.190 -16.494 1.00 0.00 C ATOM 1512 CG ASP A 90 -3.672 2.583 -16.915 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -2.907 3.086 -16.061 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -3.326 2.386 -18.094 1.00 0.00 O ATOM 0 H ASP A 90 -6.674 0.755 -14.834 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.238 0.224 -17.365 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.793 2.575 -17.221 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.312 2.657 -15.537 1.00 0.00 H new ATOM 1519 N ASP A 91 -3.225 -0.644 -16.239 1.00 0.00 N ATOM 1520 CA ASP A 91 -2.026 -1.172 -15.608 1.00 0.00 C ATOM 1521 C ASP A 91 -0.797 -0.912 -16.469 1.00 0.00 C ATOM 1522 O ASP A 91 -0.412 -1.739 -17.297 1.00 0.00 O ATOM 1523 CB ASP A 91 -2.161 -2.666 -15.328 1.00 0.00 C ATOM 1524 CG ASP A 91 -0.893 -3.259 -14.742 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -0.197 -2.557 -13.977 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -0.602 -4.439 -15.025 1.00 0.00 O ATOM 0 H ASP A 91 -3.332 -0.898 -17.221 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.902 -0.653 -14.657 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.989 -2.831 -14.638 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.409 -3.186 -16.253 1.00 0.00 H new ATOM 1531 N ASP A 92 -0.218 0.264 -16.294 1.00 0.00 N ATOM 1532 CA ASP A 92 1.038 0.619 -16.939 1.00 0.00 C ATOM 1533 C ASP A 92 1.649 1.817 -16.237 1.00 0.00 C ATOM 1534 O ASP A 92 1.014 2.868 -16.129 1.00 0.00 O ATOM 1535 CB ASP A 92 0.837 0.937 -18.421 1.00 0.00 C ATOM 1536 CG ASP A 92 2.143 1.291 -19.102 1.00 0.00 C ATOM 1537 OD1 ASP A 92 2.335 2.470 -19.458 1.00 0.00 O ATOM 1538 OD2 ASP A 92 2.991 0.387 -19.271 1.00 0.00 O ATOM 0 H ASP A 92 -0.604 1.000 -15.702 1.00 0.00 H new ATOM 0 HA ASP A 92 1.709 -0.237 -16.867 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.388 0.078 -18.920 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.137 1.766 -18.523 1.00 0.00 H new ATOM 1543 N ASP A 93 2.866 1.652 -15.745 1.00 0.00 N ATOM 1544 CA ASP A 93 3.537 2.698 -14.988 1.00 0.00 C ATOM 1545 C ASP A 93 5.044 2.480 -15.035 1.00 0.00 C ATOM 1546 O ASP A 93 5.500 1.352 -15.234 1.00 0.00 O ATOM 1547 CB ASP A 93 3.043 2.675 -13.536 1.00 0.00 C ATOM 1548 CG ASP A 93 3.502 3.869 -12.726 1.00 0.00 C ATOM 1549 OD1 ASP A 93 2.775 4.885 -12.699 1.00 0.00 O ATOM 1550 OD2 ASP A 93 4.579 3.794 -12.102 1.00 0.00 O ATOM 0 H ASP A 93 3.413 0.798 -15.857 1.00 0.00 H new ATOM 0 HA ASP A 93 3.309 3.670 -15.426 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.954 2.639 -13.531 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.394 1.762 -13.055 1.00 0.00 H new ATOM 1555 N ASP A 94 5.814 3.549 -14.891 1.00 0.00 N ATOM 1556 CA ASP A 94 7.266 3.432 -14.820 1.00 0.00 C ATOM 1557 C ASP A 94 7.712 3.389 -13.366 1.00 0.00 C ATOM 1558 O ASP A 94 7.791 4.417 -12.692 1.00 0.00 O ATOM 1559 CB ASP A 94 7.957 4.585 -15.553 1.00 0.00 C ATOM 1560 CG ASP A 94 9.467 4.549 -15.397 1.00 0.00 C ATOM 1561 OD1 ASP A 94 10.047 5.563 -14.952 1.00 0.00 O ATOM 1562 OD2 ASP A 94 10.081 3.505 -15.706 1.00 0.00 O ATOM 0 H ASP A 94 5.461 4.503 -14.821 1.00 0.00 H new ATOM 0 HA ASP A 94 7.555 2.504 -15.314 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.703 4.543 -16.612 1.00 0.00 H new ATOM 0 HB3 ASP A 94 7.578 5.533 -15.172 1.00 0.00 H new ATOM 1567 N GLY A 95 7.982 2.190 -12.886 1.00 0.00 N ATOM 1568 CA GLY A 95 8.315 1.993 -11.492 1.00 0.00 C ATOM 1569 C GLY A 95 7.469 0.893 -10.899 1.00 0.00 C ATOM 1570 O GLY A 95 7.972 0.011 -10.201 1.00 0.00 O ATOM 0 H GLY A 95 7.977 1.337 -13.445 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.371 1.740 -11.396 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.158 2.919 -10.940 1.00 0.00 H new ATOM 1574 N TYR A 96 6.174 0.968 -11.162 1.00 0.00 N ATOM 1575 CA TYR A 96 5.264 -0.124 -10.855 1.00 0.00 C ATOM 1576 C TYR A 96 5.472 -1.273 -11.839 1.00 0.00 C ATOM 1577 O TYR A 96 6.181 -2.238 -11.481 1.00 0.00 O ATOM 1578 CB TYR A 96 3.796 0.335 -10.872 1.00 0.00 C ATOM 1579 CG TYR A 96 2.837 -0.716 -10.332 1.00 0.00 C ATOM 1580 CD1 TYR A 96 2.395 -1.776 -11.124 1.00 0.00 C ATOM 1581 CD2 TYR A 96 2.392 -0.662 -9.015 1.00 0.00 C ATOM 1582 CE1 TYR A 96 1.553 -2.739 -10.617 1.00 0.00 C ATOM 1583 CE2 TYR A 96 1.538 -1.625 -8.507 1.00 0.00 C ATOM 1584 CZ TYR A 96 1.127 -2.661 -9.314 1.00 0.00 C ATOM 1585 OH TYR A 96 0.291 -3.626 -8.813 1.00 0.00 O ATOM 1586 OXT TYR A 96 4.941 -1.202 -12.965 1.00 0.00 O ATOM 0 H TYR A 96 5.727 1.779 -11.590 1.00 0.00 H new ATOM 0 HA TYR A 96 5.488 -0.470 -9.846 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.699 1.245 -10.280 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.512 0.587 -11.894 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.719 -1.842 -12.152 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.719 0.146 -8.378 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.227 -3.556 -11.244 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.196 -1.564 -7.484 1.00 0.00 H new ATOM 0 HH TYR A 96 0.814 -4.419 -8.571 1.00 0.00 H new TER 1596 TYR A 96