USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=26 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 -46:sc= 0.524 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 161:sc= -1.07! (180deg=-1.34!) USER MOD Set 2.1: A 69 LYS NZ :NH3+ 140:sc= -1.41 (180deg=-3.92!) USER MOD Set 2.2: A 96 TYR OH : rot -101:sc= -1.81! USER MOD Set 3.1: A 48 LYS NZ :NH3+ -168:sc= 1.12 (180deg=-2.44e-05) USER MOD Set 3.2: A 50 SER OG : rot -80:sc= -0.0758 USER MOD Single : A 0 SER OG : rot 136:sc= -0.346! USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= -0.0344 (180deg=-0.253) USER MOD Single : A -1 GLY N :NH3+ 178:sc= -0.0383 (180deg=-0.044) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= 0.718 (180deg=-0.36) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.0469 F(o=-2!,f=-0.047) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc=-0.00661 (180deg=-0.0834) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc=-0.00502 (180deg=-0.133) USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= -0.743 (180deg=-0.937!) USER MOD Single : A 37 TYR OH : rot 30:sc= 0.592 USER MOD Single : A 41 THR OG1 : rot 13:sc= 1.13 USER MOD Single : A 42 LYS NZ :NH3+ 142:sc= -2.36! (180deg=-4.85!) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 1.24 (180deg=0.986) USER MOD Single : A 49 THR OG1 : rot 70:sc= -0.0564 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot -63:sc= 0.363 USER MOD Single : A 59 SER OG : rot 180:sc= -0.319 USER MOD Single : A 67 LYS NZ :NH3+ 143:sc= 2.21 (180deg=-0.424) USER MOD Single : A 74 LYS NZ :NH3+ 167:sc= 2.52 (180deg=1.84!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -164:sc= -0.115 (180deg=-0.62) USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 0.921 (180deg=0.807) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 8.576 6.631 6.099 1.00 0.00 N ATOM 2 CA GLY A -1 7.982 5.733 5.084 1.00 0.00 C ATOM 3 C GLY A -1 8.693 4.395 5.012 1.00 0.00 C ATOM 4 O GLY A -1 8.553 3.563 5.905 1.00 0.00 O ATOM 0 H1 GLY A -1 8.079 7.544 6.088 1.00 0.00 H new ATOM 0 H2 GLY A -1 8.485 6.199 7.041 1.00 0.00 H new ATOM 0 H3 GLY A -1 9.582 6.782 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A -1 6.930 5.571 5.317 1.00 0.00 H new ATOM 0 HA3 GLY A -1 8.021 6.216 4.108 1.00 0.00 H new ATOM 10 N SER A 0 9.455 4.186 3.947 1.00 0.00 N ATOM 11 CA SER A 0 10.175 2.938 3.756 1.00 0.00 C ATOM 12 C SER A 0 11.487 2.933 4.535 1.00 0.00 C ATOM 13 O SER A 0 12.527 3.344 4.027 1.00 0.00 O ATOM 14 CB SER A 0 10.436 2.674 2.263 1.00 0.00 C ATOM 15 OG SER A 0 9.235 2.390 1.575 1.00 0.00 O ATOM 0 H SER A 0 9.590 4.868 3.201 1.00 0.00 H new ATOM 0 HA SER A 0 9.547 2.135 4.142 1.00 0.00 H new ATOM 0 HB2 SER A 0 10.917 3.544 1.816 1.00 0.00 H new ATOM 0 HB3 SER A 0 11.126 1.838 2.155 1.00 0.00 H new ATOM 0 HG SER A 0 9.218 2.885 0.729 1.00 0.00 H new ATOM 21 N LEU A 1 11.410 2.526 5.792 1.00 0.00 N ATOM 22 CA LEU A 1 12.600 2.231 6.581 1.00 0.00 C ATOM 23 C LEU A 1 12.589 0.759 6.911 1.00 0.00 C ATOM 24 O LEU A 1 11.910 0.340 7.849 1.00 0.00 O ATOM 25 CB LEU A 1 12.698 3.013 7.913 1.00 0.00 C ATOM 26 CG LEU A 1 11.534 3.937 8.328 1.00 0.00 C ATOM 27 CD1 LEU A 1 11.343 5.077 7.337 1.00 0.00 C ATOM 28 CD2 LEU A 1 10.245 3.151 8.524 1.00 0.00 C ATOM 0 H LEU A 1 10.531 2.391 6.292 1.00 0.00 H new ATOM 0 HA LEU A 1 13.455 2.533 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.840 2.285 8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.602 3.621 7.871 1.00 0.00 H new ATOM 0 HG LEU A 1 11.798 4.381 9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 1 10.515 5.707 7.662 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.254 5.673 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.123 4.669 6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 1 9.445 3.831 8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.977 2.654 7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.389 2.404 9.305 1.00 0.00 H new ATOM 40 N ILE A 2 13.306 -0.043 6.148 1.00 0.00 N ATOM 41 CA ILE A 2 13.230 -1.472 6.363 1.00 0.00 C ATOM 42 C ILE A 2 14.382 -2.239 5.707 1.00 0.00 C ATOM 43 O ILE A 2 14.690 -3.355 6.117 1.00 0.00 O ATOM 44 CB ILE A 2 11.848 -2.009 5.900 1.00 0.00 C ATOM 45 CG1 ILE A 2 11.468 -3.246 6.709 1.00 0.00 C ATOM 46 CG2 ILE A 2 11.796 -2.286 4.405 1.00 0.00 C ATOM 47 CD1 ILE A 2 11.142 -2.924 8.156 1.00 0.00 C ATOM 0 H ILE A 2 13.928 0.258 5.398 1.00 0.00 H new ATOM 0 HA ILE A 2 13.334 -1.645 7.434 1.00 0.00 H new ATOM 0 HB ILE A 2 11.114 -1.226 6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.607 -3.727 6.246 1.00 0.00 H new ATOM 0 HG13 ILE A 2 12.289 -3.962 6.677 1.00 0.00 H new ATOM 0 HG21 ILE A 2 10.807 -2.659 4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 2 11.996 -1.365 3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 2 12.547 -3.033 4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 2 10.879 -3.841 8.683 1.00 0.00 H new ATOM 0 HD12 ILE A 2 12.010 -2.469 8.632 1.00 0.00 H new ATOM 0 HD13 ILE A 2 10.302 -2.230 8.194 1.00 0.00 H new ATOM 59 N LEU A 3 15.039 -1.640 4.719 1.00 0.00 N ATOM 60 CA LEU A 3 16.143 -2.313 4.035 1.00 0.00 C ATOM 61 C LEU A 3 17.463 -1.585 4.221 1.00 0.00 C ATOM 62 O LEU A 3 18.485 -2.036 3.702 1.00 0.00 O ATOM 63 CB LEU A 3 15.842 -2.488 2.547 1.00 0.00 C ATOM 64 CG LEU A 3 15.447 -3.908 2.138 1.00 0.00 C ATOM 65 CD1 LEU A 3 14.121 -4.301 2.762 1.00 0.00 C ATOM 66 CD2 LEU A 3 15.396 -4.034 0.629 1.00 0.00 C ATOM 0 H LEU A 3 14.832 -0.702 4.376 1.00 0.00 H new ATOM 0 HA LEU A 3 16.242 -3.297 4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 3 15.037 -1.807 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.721 -2.191 1.975 1.00 0.00 H new ATOM 0 HG LEU A 3 16.208 -4.595 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.861 -5.315 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.203 -4.259 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.344 -3.612 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.113 -5.051 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.661 -3.335 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 3 16.377 -3.807 0.212 1.00 0.00 H new ATOM 78 N ASP A 4 17.440 -0.480 4.976 1.00 0.00 N ATOM 79 CA ASP A 4 18.636 0.341 5.233 1.00 0.00 C ATOM 80 C ASP A 4 19.121 1.021 3.953 1.00 0.00 C ATOM 81 O ASP A 4 19.158 2.247 3.855 1.00 0.00 O ATOM 82 CB ASP A 4 19.763 -0.509 5.840 1.00 0.00 C ATOM 83 CG ASP A 4 21.008 0.298 6.157 1.00 0.00 C ATOM 84 OD1 ASP A 4 21.193 0.674 7.333 1.00 0.00 O ATOM 85 OD2 ASP A 4 21.816 0.548 5.236 1.00 0.00 O ATOM 0 H ASP A 4 16.595 -0.128 5.426 1.00 0.00 H new ATOM 0 HA ASP A 4 18.358 1.114 5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 4 19.402 -0.983 6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 4 20.022 -1.309 5.146 1.00 0.00 H new ATOM 90 N GLY A 5 19.503 0.203 2.993 1.00 0.00 N ATOM 91 CA GLY A 5 19.911 0.676 1.698 1.00 0.00 C ATOM 92 C GLY A 5 20.042 -0.477 0.730 1.00 0.00 C ATOM 93 O GLY A 5 21.138 -0.750 0.233 1.00 0.00 O ATOM 0 H GLY A 5 19.537 -0.811 3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 5 19.183 1.394 1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 5 20.863 1.200 1.779 1.00 0.00 H new ATOM 97 N ASP A 6 18.921 -1.173 0.503 1.00 0.00 N ATOM 98 CA ASP A 6 18.858 -2.314 -0.427 1.00 0.00 C ATOM 99 C ASP A 6 19.480 -3.569 0.197 1.00 0.00 C ATOM 100 O ASP A 6 19.895 -4.498 -0.497 1.00 0.00 O ATOM 101 CB ASP A 6 19.529 -1.975 -1.774 1.00 0.00 C ATOM 102 CG ASP A 6 19.283 -3.025 -2.845 1.00 0.00 C ATOM 103 OD1 ASP A 6 18.152 -3.538 -2.930 1.00 0.00 O ATOM 104 OD2 ASP A 6 20.218 -3.330 -3.620 1.00 0.00 O ATOM 0 H ASP A 6 18.032 -0.964 0.957 1.00 0.00 H new ATOM 0 HA ASP A 6 17.806 -2.523 -0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 6 19.158 -1.012 -2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 6 20.603 -1.866 -1.621 1.00 0.00 H new ATOM 109 N LEU A 7 19.522 -3.602 1.519 1.00 0.00 N ATOM 110 CA LEU A 7 19.967 -4.789 2.234 1.00 0.00 C ATOM 111 C LEU A 7 18.736 -5.569 2.676 1.00 0.00 C ATOM 112 O LEU A 7 17.891 -5.024 3.379 1.00 0.00 O ATOM 113 CB LEU A 7 20.840 -4.389 3.432 1.00 0.00 C ATOM 114 CG LEU A 7 21.709 -5.502 4.030 1.00 0.00 C ATOM 115 CD1 LEU A 7 22.872 -4.903 4.801 1.00 0.00 C ATOM 116 CD2 LEU A 7 20.895 -6.424 4.922 1.00 0.00 C ATOM 0 H LEU A 7 19.254 -2.822 2.119 1.00 0.00 H new ATOM 0 HA LEU A 7 20.577 -5.419 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 7 21.492 -3.571 3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.190 -4.001 4.217 1.00 0.00 H new ATOM 0 HG LEU A 7 22.101 -6.101 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 7 23.481 -5.704 5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.481 -4.298 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 7 22.490 -4.277 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 7 21.542 -7.201 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 7 20.460 -5.849 5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.098 -6.885 4.338 1.00 0.00 H new ATOM 128 N LEU A 8 18.656 -6.837 2.259 1.00 0.00 N ATOM 129 CA LEU A 8 17.428 -7.642 2.363 1.00 0.00 C ATOM 130 C LEU A 8 16.681 -7.444 3.685 1.00 0.00 C ATOM 131 O LEU A 8 15.582 -6.905 3.680 1.00 0.00 O ATOM 132 CB LEU A 8 17.700 -9.142 2.098 1.00 0.00 C ATOM 133 CG LEU A 8 18.542 -9.916 3.130 1.00 0.00 C ATOM 134 CD1 LEU A 8 18.537 -11.399 2.797 1.00 0.00 C ATOM 135 CD2 LEU A 8 19.975 -9.409 3.183 1.00 0.00 C ATOM 0 H LEU A 8 19.440 -7.337 1.839 1.00 0.00 H new ATOM 0 HA LEU A 8 16.768 -7.272 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.737 -9.645 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 8 18.196 -9.226 1.131 1.00 0.00 H new ATOM 0 HG LEU A 8 18.092 -9.756 4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.135 -11.939 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.513 -11.773 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.960 -11.550 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 8 20.536 -9.980 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 8 20.439 -9.528 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 8 19.978 -8.355 3.460 1.00 0.00 H new ATOM 147 N LYS A 9 17.277 -7.871 4.800 1.00 0.00 N ATOM 148 CA LYS A 9 16.679 -7.711 6.134 1.00 0.00 C ATOM 149 C LYS A 9 15.384 -8.513 6.305 1.00 0.00 C ATOM 150 O LYS A 9 15.346 -9.480 7.071 1.00 0.00 O ATOM 151 CB LYS A 9 16.397 -6.235 6.446 1.00 0.00 C ATOM 152 CG LYS A 9 17.639 -5.371 6.578 1.00 0.00 C ATOM 153 CD LYS A 9 18.536 -5.845 7.710 1.00 0.00 C ATOM 154 CE LYS A 9 19.557 -4.783 8.089 1.00 0.00 C ATOM 155 NZ LYS A 9 18.915 -3.620 8.759 1.00 0.00 N ATOM 0 H LYS A 9 18.185 -8.336 4.808 1.00 0.00 H new ATOM 0 HA LYS A 9 17.416 -8.102 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.766 -5.824 5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.828 -6.175 7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 9 18.196 -5.388 5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.345 -4.336 6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.927 -6.094 8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 9 19.052 -6.757 7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 9 20.306 -5.217 8.751 1.00 0.00 H new ATOM 0 HE3 LYS A 9 20.080 -4.445 7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.637 -3.071 9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.460 -3.016 8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.199 -3.959 9.433 1.00 0.00 H new ATOM 169 N ASP A 10 14.338 -8.111 5.583 1.00 0.00 N ATOM 170 CA ASP A 10 12.986 -8.619 5.808 1.00 0.00 C ATOM 171 C ASP A 10 12.914 -10.133 5.637 1.00 0.00 C ATOM 172 O ASP A 10 12.469 -10.837 6.546 1.00 0.00 O ATOM 173 CB ASP A 10 11.961 -7.910 4.895 1.00 0.00 C ATOM 174 CG ASP A 10 12.101 -8.230 3.411 1.00 0.00 C ATOM 175 OD1 ASP A 10 12.718 -7.433 2.681 1.00 0.00 O ATOM 176 OD2 ASP A 10 11.575 -9.276 2.964 1.00 0.00 O ATOM 0 H ASP A 10 14.404 -7.427 4.829 1.00 0.00 H new ATOM 0 HA ASP A 10 12.727 -8.394 6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.957 -8.183 5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.058 -6.833 5.031 1.00 0.00 H new ATOM 181 N LYS A 11 13.371 -10.625 4.487 1.00 0.00 N ATOM 182 CA LYS A 11 13.349 -12.050 4.180 1.00 0.00 C ATOM 183 C LYS A 11 11.945 -12.628 4.357 1.00 0.00 C ATOM 184 O LYS A 11 11.774 -13.703 4.937 1.00 0.00 O ATOM 185 CB LYS A 11 14.346 -12.813 5.055 1.00 0.00 C ATOM 186 CG LYS A 11 15.777 -12.314 4.929 1.00 0.00 C ATOM 187 CD LYS A 11 16.761 -13.292 5.549 1.00 0.00 C ATOM 188 CE LYS A 11 16.738 -14.633 4.827 1.00 0.00 C ATOM 189 NZ LYS A 11 17.703 -15.597 5.413 1.00 0.00 N ATOM 0 H LYS A 11 13.766 -10.047 3.745 1.00 0.00 H new ATOM 0 HA LYS A 11 13.642 -12.167 3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.034 -12.737 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.314 -13.870 4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.022 -12.167 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.870 -11.344 5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.767 -12.873 5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.517 -13.439 6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.733 -15.053 4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.972 -14.481 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.655 -16.496 4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.666 -15.209 5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.465 -15.762 6.412 1.00 0.00 H new ATOM 203 N LEU A 12 10.945 -11.902 3.865 1.00 0.00 N ATOM 204 CA LEU A 12 9.568 -12.383 3.881 1.00 0.00 C ATOM 205 C LEU A 12 9.433 -13.631 3.023 1.00 0.00 C ATOM 206 O LEU A 12 9.549 -14.746 3.529 1.00 0.00 O ATOM 207 CB LEU A 12 8.603 -11.305 3.381 1.00 0.00 C ATOM 208 CG LEU A 12 8.019 -10.372 4.453 1.00 0.00 C ATOM 209 CD1 LEU A 12 7.198 -11.164 5.458 1.00 0.00 C ATOM 210 CD2 LEU A 12 9.109 -9.596 5.168 1.00 0.00 C ATOM 0 H LEU A 12 11.063 -10.978 3.450 1.00 0.00 H new ATOM 0 HA LEU A 12 9.311 -12.627 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.122 -10.696 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.777 -11.796 2.866 1.00 0.00 H new ATOM 0 HG LEU A 12 7.370 -9.656 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.792 -10.487 6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.380 -11.667 4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.833 -11.906 5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.660 -8.946 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.793 -10.292 5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.658 -8.991 4.446 1.00 0.00 H new ATOM 222 N LYS A 13 9.202 -13.435 1.723 1.00 0.00 N ATOM 223 CA LYS A 13 9.114 -14.542 0.777 1.00 0.00 C ATOM 224 C LYS A 13 8.075 -15.551 1.251 1.00 0.00 C ATOM 225 O LYS A 13 8.391 -16.711 1.531 1.00 0.00 O ATOM 226 CB LYS A 13 10.481 -15.229 0.601 1.00 0.00 C ATOM 227 CG LYS A 13 11.517 -14.436 -0.202 1.00 0.00 C ATOM 228 CD LYS A 13 12.215 -13.345 0.609 1.00 0.00 C ATOM 229 CE LYS A 13 11.496 -12.000 0.546 1.00 0.00 C ATOM 230 NZ LYS A 13 11.245 -11.558 -0.852 1.00 0.00 N ATOM 0 H LYS A 13 9.072 -12.515 1.303 1.00 0.00 H new ATOM 0 HA LYS A 13 8.809 -14.142 -0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.894 -15.437 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.325 -16.190 0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.267 -15.124 -0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.026 -13.980 -1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.287 -13.663 1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.234 -13.223 0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.547 -12.073 1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.093 -11.247 1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.928 -10.567 -0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.122 -11.641 -1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.509 -12.157 -1.278 1.00 0.00 H new ATOM 244 N LEU A 14 6.838 -15.093 1.355 1.00 0.00 N ATOM 245 CA LEU A 14 5.771 -15.876 1.960 1.00 0.00 C ATOM 246 C LEU A 14 4.508 -15.804 1.108 1.00 0.00 C ATOM 247 O LEU A 14 4.476 -15.090 0.104 1.00 0.00 O ATOM 248 CB LEU A 14 5.468 -15.325 3.359 1.00 0.00 C ATOM 249 CG LEU A 14 6.618 -15.394 4.364 1.00 0.00 C ATOM 250 CD1 LEU A 14 6.269 -14.619 5.623 1.00 0.00 C ATOM 251 CD2 LEU A 14 6.953 -16.838 4.698 1.00 0.00 C ATOM 0 H LEU A 14 6.546 -14.173 1.025 1.00 0.00 H new ATOM 0 HA LEU A 14 6.093 -16.915 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.159 -14.284 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.619 -15.872 3.769 1.00 0.00 H new ATOM 0 HG LEU A 14 7.498 -14.937 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.098 -14.678 6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.083 -13.576 5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.375 -15.046 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.774 -16.865 5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.078 -17.324 5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.248 -17.363 3.789 1.00 0.00 H new ATOM 263 N PRO A 15 3.460 -16.566 1.476 1.00 0.00 N ATOM 264 CA PRO A 15 2.105 -16.374 0.938 1.00 0.00 C ATOM 265 C PRO A 15 1.549 -15.005 1.326 1.00 0.00 C ATOM 266 O PRO A 15 2.303 -14.050 1.515 1.00 0.00 O ATOM 267 CB PRO A 15 1.295 -17.499 1.597 1.00 0.00 C ATOM 268 CG PRO A 15 2.079 -17.892 2.793 1.00 0.00 C ATOM 269 CD PRO A 15 3.515 -17.699 2.418 1.00 0.00 C ATOM 0 HA PRO A 15 2.074 -16.408 -0.151 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.298 -17.156 1.875 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.165 -18.341 0.917 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.813 -17.279 3.654 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.882 -18.928 3.067 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.133 -17.472 3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.935 -18.591 1.953 1.00 0.00 H new ATOM 277 N VAL A 16 0.236 -14.895 1.405 1.00 0.00 N ATOM 278 CA VAL A 16 -0.385 -13.657 1.863 1.00 0.00 C ATOM 279 C VAL A 16 0.100 -13.321 3.265 1.00 0.00 C ATOM 280 O VAL A 16 -0.279 -13.955 4.252 1.00 0.00 O ATOM 281 CB VAL A 16 -1.921 -13.729 1.872 1.00 0.00 C ATOM 282 CG1 VAL A 16 -2.524 -12.363 2.188 1.00 0.00 C ATOM 283 CG2 VAL A 16 -2.445 -14.246 0.543 1.00 0.00 C ATOM 0 H VAL A 16 -0.420 -15.638 1.162 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.092 -12.880 1.157 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.221 -14.427 2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.611 -12.437 2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.182 -12.032 3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.210 -11.643 1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.534 -14.288 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.130 -13.577 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.048 -15.244 0.359 1.00 0.00 H new ATOM 293 N ILE A 17 0.955 -12.325 3.321 1.00 0.00 N ATOM 294 CA ILE A 17 1.556 -11.864 4.553 1.00 0.00 C ATOM 295 C ILE A 17 0.485 -11.231 5.436 1.00 0.00 C ATOM 296 O ILE A 17 -0.557 -10.799 4.933 1.00 0.00 O ATOM 297 CB ILE A 17 2.681 -10.844 4.242 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.667 -11.439 3.234 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.420 -10.432 5.497 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.736 -10.468 2.780 1.00 0.00 C ATOM 0 H ILE A 17 1.258 -11.804 2.498 1.00 0.00 H new ATOM 0 HA ILE A 17 1.995 -12.709 5.084 1.00 0.00 H new ATOM 0 HB ILE A 17 2.215 -9.956 3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.146 -12.311 3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.114 -11.790 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.201 -9.716 5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.722 -9.972 6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.870 -11.311 5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.397 -10.961 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.267 -9.607 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.315 -10.136 3.641 1.00 0.00 H new ATOM 312 N ASP A 18 0.736 -11.198 6.742 1.00 0.00 N ATOM 313 CA ASP A 18 -0.226 -10.683 7.708 1.00 0.00 C ATOM 314 C ASP A 18 -0.766 -9.329 7.278 1.00 0.00 C ATOM 315 O ASP A 18 -0.012 -8.442 6.874 1.00 0.00 O ATOM 316 CB ASP A 18 0.417 -10.557 9.091 1.00 0.00 C ATOM 317 CG ASP A 18 0.854 -11.892 9.655 1.00 0.00 C ATOM 318 OD1 ASP A 18 2.024 -12.276 9.445 1.00 0.00 O ATOM 319 OD2 ASP A 18 0.038 -12.556 10.321 1.00 0.00 O ATOM 0 H ASP A 18 1.608 -11.526 7.157 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.054 -11.391 7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.280 -9.894 9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.292 -10.092 9.776 1.00 0.00 H new ATOM 324 N ASN A 19 -2.078 -9.180 7.349 1.00 0.00 N ATOM 325 CA ASN A 19 -2.721 -7.925 6.988 1.00 0.00 C ATOM 326 C ASN A 19 -2.342 -6.847 7.991 1.00 0.00 C ATOM 327 O ASN A 19 -2.346 -5.668 7.671 1.00 0.00 O ATOM 328 CB ASN A 19 -4.244 -8.082 6.913 1.00 0.00 C ATOM 329 CG ASN A 19 -4.709 -8.857 5.688 1.00 0.00 C ATOM 330 OD1 ASN A 19 -3.870 -9.749 5.177 1.00 0.00 O flip ATOM 331 ND2 ASN A 19 -5.820 -8.651 5.199 1.00 0.00 N flip ATOM 0 H ASN A 19 -2.720 -9.912 7.653 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.372 -7.630 5.998 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.595 -8.591 7.811 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.704 -7.094 6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.441 -7.958 5.617 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.120 -9.174 4.376 1.00 0.00 H new ATOM 338 N LEU A 20 -2.002 -7.273 9.202 1.00 0.00 N ATOM 339 CA LEU A 20 -1.481 -6.385 10.228 1.00 0.00 C ATOM 340 C LEU A 20 -0.149 -5.799 9.766 1.00 0.00 C ATOM 341 O LEU A 20 0.059 -4.587 9.807 1.00 0.00 O ATOM 342 CB LEU A 20 -1.291 -7.176 11.525 1.00 0.00 C ATOM 343 CG LEU A 20 -1.323 -6.373 12.827 1.00 0.00 C ATOM 344 CD1 LEU A 20 -1.370 -7.324 14.010 1.00 0.00 C ATOM 345 CD2 LEU A 20 -0.129 -5.435 12.942 1.00 0.00 C ATOM 0 H LEU A 20 -2.081 -8.246 9.498 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.181 -5.569 10.405 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.068 -7.939 11.576 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.335 -7.697 11.469 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.220 -5.753 12.823 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.393 -6.751 14.937 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.265 -7.943 13.944 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.486 -7.962 13.999 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.189 -4.883 13.880 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.793 -6.016 12.921 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.135 -4.734 12.107 1.00 0.00 H new ATOM 357 N PHE A 21 0.745 -6.680 9.325 1.00 0.00 N ATOM 358 CA PHE A 21 2.042 -6.274 8.794 1.00 0.00 C ATOM 359 C PHE A 21 1.842 -5.353 7.597 1.00 0.00 C ATOM 360 O PHE A 21 2.572 -4.376 7.413 1.00 0.00 O ATOM 361 CB PHE A 21 2.853 -7.509 8.382 1.00 0.00 C ATOM 362 CG PHE A 21 4.293 -7.218 8.073 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.721 -7.080 6.762 1.00 0.00 C ATOM 364 CD2 PHE A 21 5.220 -7.083 9.094 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.046 -6.813 6.478 1.00 0.00 C ATOM 366 CE2 PHE A 21 6.546 -6.816 8.814 1.00 0.00 C ATOM 367 CZ PHE A 21 6.960 -6.681 7.504 1.00 0.00 C ATOM 0 H PHE A 21 0.592 -7.688 9.326 1.00 0.00 H new ATOM 0 HA PHE A 21 2.592 -5.738 9.567 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.806 -8.246 9.184 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.388 -7.961 7.506 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.011 -7.182 5.954 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.902 -7.188 10.121 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.367 -6.707 5.452 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.258 -6.713 9.619 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.996 -6.473 7.282 1.00 0.00 H new ATOM 377 N GLY A 22 0.839 -5.673 6.792 1.00 0.00 N ATOM 378 CA GLY A 22 0.478 -4.820 5.684 1.00 0.00 C ATOM 379 C GLY A 22 -0.020 -3.481 6.169 1.00 0.00 C ATOM 380 O GLY A 22 0.404 -2.441 5.683 1.00 0.00 O ATOM 0 H GLY A 22 0.268 -6.513 6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.342 -4.677 5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.294 -5.303 5.085 1.00 0.00 H new ATOM 384 N LYS A 23 -0.912 -3.514 7.150 1.00 0.00 N ATOM 385 CA LYS A 23 -1.442 -2.309 7.756 1.00 0.00 C ATOM 386 C LYS A 23 -0.321 -1.415 8.264 1.00 0.00 C ATOM 387 O LYS A 23 -0.413 -0.198 8.166 1.00 0.00 O ATOM 388 CB LYS A 23 -2.390 -2.675 8.898 1.00 0.00 C ATOM 389 CG LYS A 23 -3.804 -3.011 8.447 1.00 0.00 C ATOM 390 CD LYS A 23 -4.461 -1.842 7.724 1.00 0.00 C ATOM 391 CE LYS A 23 -4.566 -0.609 8.611 1.00 0.00 C ATOM 392 NZ LYS A 23 -5.428 -0.844 9.799 1.00 0.00 N ATOM 0 H LYS A 23 -1.285 -4.377 7.545 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.995 -1.756 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.980 -3.529 9.437 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.432 -1.844 9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.778 -3.878 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.406 -3.287 9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.885 -1.598 6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.457 -2.135 7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.570 -0.314 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.969 0.221 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.581 0.054 10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.344 -1.230 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.963 -1.521 10.437 1.00 0.00 H new ATOM 406 N GLU A 24 0.732 -2.029 8.791 1.00 0.00 N ATOM 407 CA GLU A 24 1.909 -1.316 9.237 1.00 0.00 C ATOM 408 C GLU A 24 2.558 -0.544 8.098 1.00 0.00 C ATOM 409 O GLU A 24 2.910 0.623 8.249 1.00 0.00 O ATOM 410 CB GLU A 24 2.882 -2.317 9.818 1.00 0.00 C ATOM 411 CG GLU A 24 2.587 -2.649 11.259 1.00 0.00 C ATOM 412 CD GLU A 24 2.765 -1.447 12.165 1.00 0.00 C ATOM 413 OE1 GLU A 24 3.884 -1.252 12.684 1.00 0.00 O ATOM 414 OE2 GLU A 24 1.797 -0.676 12.341 1.00 0.00 O ATOM 0 H GLU A 24 0.787 -3.039 8.919 1.00 0.00 H new ATOM 0 HA GLU A 24 1.620 -0.587 9.994 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.853 -3.232 9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.894 -1.920 9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.565 -3.019 11.344 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.246 -3.452 11.588 1.00 0.00 H new ATOM 421 N LEU A 25 2.721 -1.216 6.968 1.00 0.00 N ATOM 422 CA LEU A 25 3.213 -0.584 5.750 1.00 0.00 C ATOM 423 C LEU A 25 2.385 0.661 5.421 1.00 0.00 C ATOM 424 O LEU A 25 2.883 1.793 5.448 1.00 0.00 O ATOM 425 CB LEU A 25 3.101 -1.562 4.586 1.00 0.00 C ATOM 426 CG LEU A 25 3.931 -2.833 4.705 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.562 -3.795 3.588 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.413 -2.504 4.662 1.00 0.00 C ATOM 0 H LEU A 25 2.517 -2.210 6.868 1.00 0.00 H new ATOM 0 HA LEU A 25 4.253 -0.298 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.054 -1.844 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.393 -1.044 3.672 1.00 0.00 H new ATOM 0 HG LEU A 25 3.717 -3.309 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.159 -4.703 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.504 -4.048 3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.758 -3.326 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.992 -3.423 4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.650 -2.013 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.662 -1.839 5.489 1.00 0.00 H new ATOM 440 N LEU A 26 1.102 0.431 5.144 1.00 0.00 N ATOM 441 CA LEU A 26 0.189 1.490 4.719 1.00 0.00 C ATOM 442 C LEU A 26 0.085 2.583 5.769 1.00 0.00 C ATOM 443 O LEU A 26 -0.104 3.747 5.446 1.00 0.00 O ATOM 444 CB LEU A 26 -1.214 0.934 4.434 1.00 0.00 C ATOM 445 CG LEU A 26 -1.360 0.103 3.156 1.00 0.00 C ATOM 446 CD1 LEU A 26 -0.629 -1.212 3.280 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.829 -0.125 2.833 1.00 0.00 C ATOM 0 H LEU A 26 0.668 -0.490 5.208 1.00 0.00 H new ATOM 0 HA LEU A 26 0.600 1.913 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.518 0.318 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.911 1.770 4.381 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.910 0.661 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.748 -1.783 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.430 -1.024 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.040 -1.780 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.914 -0.717 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.304 -0.657 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.323 0.836 2.688 1.00 0.00 H new ATOM 459 N ASP A 27 0.208 2.187 7.022 1.00 0.00 N ATOM 460 CA ASP A 27 0.131 3.114 8.151 1.00 0.00 C ATOM 461 C ASP A 27 1.205 4.188 8.056 1.00 0.00 C ATOM 462 O ASP A 27 0.953 5.362 8.331 1.00 0.00 O ATOM 463 CB ASP A 27 0.287 2.350 9.466 1.00 0.00 C ATOM 464 CG ASP A 27 0.128 3.229 10.684 1.00 0.00 C ATOM 465 OD1 ASP A 27 1.153 3.609 11.289 1.00 0.00 O ATOM 466 OD2 ASP A 27 -1.026 3.531 11.051 1.00 0.00 O ATOM 0 H ASP A 27 0.364 1.216 7.293 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.845 3.599 8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.452 1.549 9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.269 1.879 9.491 1.00 0.00 H new ATOM 471 N LYS A 28 2.397 3.787 7.647 1.00 0.00 N ATOM 472 CA LYS A 28 3.520 4.708 7.553 1.00 0.00 C ATOM 473 C LYS A 28 3.373 5.604 6.329 1.00 0.00 C ATOM 474 O LYS A 28 3.784 6.764 6.341 1.00 0.00 O ATOM 475 CB LYS A 28 4.833 3.929 7.487 1.00 0.00 C ATOM 476 CG LYS A 28 4.952 2.877 8.577 1.00 0.00 C ATOM 477 CD LYS A 28 6.258 2.112 8.492 1.00 0.00 C ATOM 478 CE LYS A 28 6.222 0.868 9.368 1.00 0.00 C ATOM 479 NZ LYS A 28 5.857 1.178 10.776 1.00 0.00 N ATOM 0 H LYS A 28 2.613 2.828 7.374 1.00 0.00 H new ATOM 0 HA LYS A 28 3.530 5.339 8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.915 3.447 6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.667 4.626 7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.876 3.357 9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.118 2.179 8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.449 1.827 7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.081 2.756 8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.504 0.158 8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.198 0.383 9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.977 0.327 11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.473 1.935 11.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.866 1.489 10.817 1.00 0.00 H new ATOM 493 N PHE A 29 2.772 5.065 5.276 1.00 0.00 N ATOM 494 CA PHE A 29 2.575 5.821 4.042 1.00 0.00 C ATOM 495 C PHE A 29 1.188 6.435 3.986 1.00 0.00 C ATOM 496 O PHE A 29 0.786 6.984 2.965 1.00 0.00 O ATOM 497 CB PHE A 29 2.784 4.924 2.830 1.00 0.00 C ATOM 498 CG PHE A 29 4.149 4.327 2.790 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.371 3.065 3.299 1.00 0.00 C ATOM 500 CD2 PHE A 29 5.210 5.032 2.258 1.00 0.00 C ATOM 501 CE1 PHE A 29 5.629 2.511 3.280 1.00 0.00 C ATOM 502 CE2 PHE A 29 6.472 4.482 2.232 1.00 0.00 C ATOM 503 CZ PHE A 29 6.680 3.220 2.745 1.00 0.00 C ATOM 0 H PHE A 29 2.413 4.111 5.250 1.00 0.00 H new ATOM 0 HA PHE A 29 3.310 6.626 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.042 4.126 2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.617 5.502 1.921 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.547 2.505 3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.049 6.023 1.859 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.792 1.523 3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.297 5.038 1.811 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.669 2.787 2.727 1.00 0.00 H new ATOM 513 N GLN A 30 0.471 6.345 5.094 1.00 0.00 N ATOM 514 CA GLN A 30 -0.861 6.871 5.208 1.00 0.00 C ATOM 515 C GLN A 30 -0.908 8.342 4.821 1.00 0.00 C ATOM 516 O GLN A 30 -1.836 8.788 4.154 1.00 0.00 O ATOM 517 CB GLN A 30 -1.323 6.669 6.642 1.00 0.00 C ATOM 518 CG GLN A 30 -2.687 7.196 6.913 1.00 0.00 C ATOM 519 CD GLN A 30 -3.107 7.025 8.359 1.00 0.00 C ATOM 520 OE1 GLN A 30 -2.608 5.980 9.003 1.00 0.00 O flip ATOM 521 NE2 GLN A 30 -3.873 7.823 8.893 1.00 0.00 N flip ATOM 0 H GLN A 30 0.811 5.897 5.945 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.526 6.346 4.523 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.302 5.604 6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.616 7.155 7.314 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.721 8.254 6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.403 6.686 6.269 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.235 8.615 8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.147 7.693 9.867 1.00 0.00 H new ATOM 530 N ASP A 31 0.115 9.081 5.225 1.00 0.00 N ATOM 531 CA ASP A 31 0.218 10.496 4.901 1.00 0.00 C ATOM 532 C ASP A 31 0.360 10.694 3.399 1.00 0.00 C ATOM 533 O ASP A 31 -0.239 11.598 2.823 1.00 0.00 O ATOM 534 CB ASP A 31 1.422 11.117 5.610 1.00 0.00 C ATOM 535 CG ASP A 31 1.328 11.023 7.119 1.00 0.00 C ATOM 536 OD1 ASP A 31 1.644 9.946 7.668 1.00 0.00 O ATOM 537 OD2 ASP A 31 0.950 12.024 7.764 1.00 0.00 O ATOM 0 H ASP A 31 0.890 8.721 5.781 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.694 10.987 5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.332 10.618 5.276 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.508 12.164 5.321 1.00 0.00 H new ATOM 542 N ASP A 32 1.136 9.823 2.767 1.00 0.00 N ATOM 543 CA ASP A 32 1.426 9.939 1.343 1.00 0.00 C ATOM 544 C ASP A 32 0.231 9.475 0.524 1.00 0.00 C ATOM 545 O ASP A 32 -0.101 10.060 -0.501 1.00 0.00 O ATOM 546 CB ASP A 32 2.661 9.115 0.974 1.00 0.00 C ATOM 547 CG ASP A 32 3.146 9.409 -0.431 1.00 0.00 C ATOM 548 OD1 ASP A 32 2.960 8.560 -1.325 1.00 0.00 O ATOM 549 OD2 ASP A 32 3.711 10.499 -0.653 1.00 0.00 O ATOM 0 H ASP A 32 1.578 9.024 3.221 1.00 0.00 H new ATOM 0 HA ASP A 32 1.627 10.987 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.461 9.325 1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.427 8.054 1.061 1.00 0.00 H new ATOM 554 N ILE A 33 -0.417 8.425 0.999 1.00 0.00 N ATOM 555 CA ILE A 33 -1.629 7.915 0.375 1.00 0.00 C ATOM 556 C ILE A 33 -2.774 8.913 0.547 1.00 0.00 C ATOM 557 O ILE A 33 -3.694 8.980 -0.264 1.00 0.00 O ATOM 558 CB ILE A 33 -2.009 6.540 0.975 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.909 5.527 0.657 1.00 0.00 C ATOM 560 CG2 ILE A 33 -3.351 6.057 0.440 1.00 0.00 C ATOM 561 CD1 ILE A 33 -1.052 4.210 1.392 1.00 0.00 C ATOM 0 H ILE A 33 -0.121 7.903 1.824 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.443 7.783 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.105 6.644 2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.906 5.334 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.057 5.966 0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.591 5.089 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.127 6.776 0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.297 5.960 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.234 3.546 1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.023 4.388 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.002 3.746 1.126 1.00 0.00 H new ATOM 573 N LYS A 34 -2.695 9.711 1.594 1.00 0.00 N ATOM 574 CA LYS A 34 -3.683 10.742 1.844 1.00 0.00 C ATOM 575 C LYS A 34 -3.345 11.985 1.041 1.00 0.00 C ATOM 576 O LYS A 34 -4.215 12.774 0.678 1.00 0.00 O ATOM 577 CB LYS A 34 -3.734 11.053 3.323 1.00 0.00 C ATOM 578 CG LYS A 34 -4.794 12.072 3.688 1.00 0.00 C ATOM 579 CD LYS A 34 -5.035 12.093 5.178 1.00 0.00 C ATOM 580 CE LYS A 34 -6.106 13.101 5.554 1.00 0.00 C ATOM 581 NZ LYS A 34 -6.362 13.113 7.015 1.00 0.00 N ATOM 0 H LYS A 34 -1.951 9.664 2.290 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.666 10.388 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.922 10.131 3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.760 11.423 3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.483 13.061 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.723 11.837 3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.335 11.100 5.513 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.107 12.337 5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.799 14.096 5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.029 12.865 5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.099 13.814 7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.679 12.171 7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.487 13.363 7.519 1.00 0.00 H new ATOM 595 N ASP A 35 -2.070 12.152 0.781 1.00 0.00 N ATOM 596 CA ASP A 35 -1.605 13.202 -0.106 1.00 0.00 C ATOM 597 C ASP A 35 -1.981 12.880 -1.549 1.00 0.00 C ATOM 598 O ASP A 35 -2.503 13.723 -2.276 1.00 0.00 O ATOM 599 CB ASP A 35 -0.093 13.366 0.015 1.00 0.00 C ATOM 600 CG ASP A 35 0.448 14.470 -0.870 1.00 0.00 C ATOM 601 OD1 ASP A 35 0.780 14.193 -2.038 1.00 0.00 O ATOM 602 OD2 ASP A 35 0.554 15.620 -0.396 1.00 0.00 O ATOM 0 H ASP A 35 -1.328 11.572 1.172 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.085 14.137 0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.163 13.579 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.392 12.426 -0.246 1.00 0.00 H new ATOM 607 N LYS A 36 -1.728 11.638 -1.945 1.00 0.00 N ATOM 608 CA LYS A 36 -1.972 11.195 -3.310 1.00 0.00 C ATOM 609 C LYS A 36 -3.448 10.917 -3.586 1.00 0.00 C ATOM 610 O LYS A 36 -3.953 11.234 -4.660 1.00 0.00 O ATOM 611 CB LYS A 36 -1.127 9.969 -3.626 1.00 0.00 C ATOM 612 CG LYS A 36 0.311 10.316 -3.940 1.00 0.00 C ATOM 613 CD LYS A 36 1.151 9.076 -4.073 1.00 0.00 C ATOM 614 CE LYS A 36 2.587 9.398 -4.458 1.00 0.00 C ATOM 615 NZ LYS A 36 3.275 10.226 -3.433 1.00 0.00 N ATOM 0 H LYS A 36 -1.350 10.915 -1.333 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.680 12.013 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.154 9.285 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.563 9.441 -4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.356 10.890 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.716 10.950 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.143 8.530 -3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.713 8.420 -4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.139 8.469 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.595 9.925 -5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.076 10.724 -3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.607 10.921 -3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.624 9.613 -2.669 1.00 0.00 H new ATOM 629 N TYR A 37 -4.138 10.321 -2.626 1.00 0.00 N ATOM 630 CA TYR A 37 -5.550 9.990 -2.798 1.00 0.00 C ATOM 631 C TYR A 37 -6.416 10.784 -1.834 1.00 0.00 C ATOM 632 O TYR A 37 -7.430 11.371 -2.215 1.00 0.00 O ATOM 633 CB TYR A 37 -5.793 8.503 -2.540 1.00 0.00 C ATOM 634 CG TYR A 37 -5.059 7.564 -3.460 1.00 0.00 C ATOM 635 CD1 TYR A 37 -5.664 7.087 -4.613 1.00 0.00 C ATOM 636 CD2 TYR A 37 -3.770 7.139 -3.166 1.00 0.00 C ATOM 637 CE1 TYR A 37 -5.007 6.215 -5.450 1.00 0.00 C ATOM 638 CE2 TYR A 37 -3.102 6.266 -3.999 1.00 0.00 C ATOM 639 CZ TYR A 37 -3.729 5.807 -5.141 1.00 0.00 C ATOM 640 OH TYR A 37 -3.076 4.942 -5.979 1.00 0.00 O ATOM 0 H TYR A 37 -3.748 10.056 -1.722 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.816 10.240 -3.825 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.507 8.277 -1.513 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.862 8.306 -2.623 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.667 7.405 -4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.283 7.498 -2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.491 5.852 -6.345 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.099 5.945 -3.761 1.00 0.00 H new ATOM 0 HH TYR A 37 -3.387 5.079 -6.898 1.00 0.00 H new ATOM 650 N GLY A 38 -6.007 10.786 -0.579 1.00 0.00 N ATOM 651 CA GLY A 38 -6.828 11.351 0.473 1.00 0.00 C ATOM 652 C GLY A 38 -7.468 10.266 1.314 1.00 0.00 C ATOM 653 O GLY A 38 -8.625 10.375 1.715 1.00 0.00 O ATOM 0 H GLY A 38 -5.115 10.404 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.218 11.994 1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.603 11.979 0.034 1.00 0.00 H new ATOM 657 N VAL A 39 -6.709 9.211 1.575 1.00 0.00 N ATOM 658 CA VAL A 39 -7.217 8.057 2.292 1.00 0.00 C ATOM 659 C VAL A 39 -6.610 7.976 3.689 1.00 0.00 C ATOM 660 O VAL A 39 -5.481 8.407 3.910 1.00 0.00 O ATOM 661 CB VAL A 39 -6.873 6.762 1.538 1.00 0.00 C ATOM 662 CG1 VAL A 39 -7.618 5.573 2.117 1.00 0.00 C ATOM 663 CG2 VAL A 39 -7.180 6.896 0.058 1.00 0.00 C ATOM 0 H VAL A 39 -5.731 9.134 1.297 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.299 8.168 2.369 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.803 6.590 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.353 4.673 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.345 5.447 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.692 5.744 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.927 5.966 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.241 7.107 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.592 7.712 -0.363 1.00 0.00 H new ATOM 673 N ASP A 40 -7.361 7.403 4.617 1.00 0.00 N ATOM 674 CA ASP A 40 -6.901 7.212 5.991 1.00 0.00 C ATOM 675 C ASP A 40 -6.264 5.828 6.146 1.00 0.00 C ATOM 676 O ASP A 40 -5.958 5.385 7.250 1.00 0.00 O ATOM 677 CB ASP A 40 -8.094 7.380 6.943 1.00 0.00 C ATOM 678 CG ASP A 40 -7.721 7.324 8.412 1.00 0.00 C ATOM 679 OD1 ASP A 40 -7.114 8.291 8.915 1.00 0.00 O ATOM 680 OD2 ASP A 40 -8.057 6.320 9.077 1.00 0.00 O ATOM 0 H ASP A 40 -8.305 7.057 4.443 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.143 7.956 6.236 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.579 8.334 6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.826 6.600 6.734 1.00 0.00 H new ATOM 685 N THR A 41 -6.039 5.183 4.999 1.00 0.00 N ATOM 686 CA THR A 41 -5.579 3.784 4.872 1.00 0.00 C ATOM 687 C THR A 41 -6.478 2.760 5.583 1.00 0.00 C ATOM 688 O THR A 41 -6.514 1.596 5.198 1.00 0.00 O ATOM 689 CB THR A 41 -4.109 3.580 5.304 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.884 4.048 6.639 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.165 4.284 4.343 1.00 0.00 C ATOM 0 H THR A 41 -6.175 5.632 4.093 1.00 0.00 H new ATOM 0 HA THR A 41 -5.650 3.592 3.801 1.00 0.00 H new ATOM 0 HB THR A 41 -3.908 2.509 5.280 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.745 4.214 7.077 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.135 4.128 4.665 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.297 3.878 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.385 5.352 4.334 1.00 0.00 H new ATOM 699 N LYS A 42 -7.209 3.197 6.597 1.00 0.00 N ATOM 700 CA LYS A 42 -8.103 2.338 7.344 1.00 0.00 C ATOM 701 C LYS A 42 -9.340 1.999 6.512 1.00 0.00 C ATOM 702 O LYS A 42 -10.104 1.092 6.842 1.00 0.00 O ATOM 703 CB LYS A 42 -8.490 3.060 8.629 1.00 0.00 C ATOM 704 CG LYS A 42 -9.151 2.178 9.659 1.00 0.00 C ATOM 705 CD LYS A 42 -9.405 2.923 10.967 1.00 0.00 C ATOM 706 CE LYS A 42 -8.125 3.170 11.766 1.00 0.00 C ATOM 707 NZ LYS A 42 -7.203 4.140 11.111 1.00 0.00 N ATOM 0 H LYS A 42 -7.196 4.163 6.923 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.608 1.398 7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.596 3.503 9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.164 3.880 8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.096 1.804 9.265 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.521 1.310 9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.882 3.879 10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.104 2.350 11.577 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.388 3.541 12.757 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.605 2.223 11.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.759 4.740 11.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.466 3.622 10.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.739 4.736 10.449 1.00 0.00 H new ATOM 721 N ASP A 43 -9.510 2.730 5.420 1.00 0.00 N ATOM 722 CA ASP A 43 -10.614 2.502 4.498 1.00 0.00 C ATOM 723 C ASP A 43 -10.239 1.387 3.554 1.00 0.00 C ATOM 724 O ASP A 43 -11.037 0.500 3.249 1.00 0.00 O ATOM 725 CB ASP A 43 -10.895 3.762 3.695 1.00 0.00 C ATOM 726 CG ASP A 43 -12.193 3.685 2.921 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.271 3.693 3.555 1.00 0.00 O ATOM 728 OD2 ASP A 43 -12.144 3.652 1.676 1.00 0.00 O ATOM 0 H ASP A 43 -8.891 3.494 5.149 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.507 2.235 5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.929 4.617 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.073 3.936 3.001 1.00 0.00 H new ATOM 733 N LEU A 44 -8.998 1.459 3.108 1.00 0.00 N ATOM 734 CA LEU A 44 -8.418 0.461 2.233 1.00 0.00 C ATOM 735 C LEU A 44 -8.391 -0.893 2.920 1.00 0.00 C ATOM 736 O LEU A 44 -7.600 -1.117 3.838 1.00 0.00 O ATOM 737 CB LEU A 44 -6.993 0.867 1.860 1.00 0.00 C ATOM 738 CG LEU A 44 -6.842 2.252 1.230 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.370 2.605 1.084 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.542 2.306 -0.122 1.00 0.00 C ATOM 0 H LEU A 44 -8.360 2.219 3.346 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.028 0.391 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.377 0.827 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.594 0.127 1.166 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.312 2.985 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.276 3.593 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.897 2.607 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.881 1.868 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.423 3.300 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.102 1.565 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.603 2.092 0.009 1.00 0.00 H new ATOM 752 N LYS A 45 -9.272 -1.783 2.503 1.00 0.00 N ATOM 753 CA LYS A 45 -9.289 -3.126 3.045 1.00 0.00 C ATOM 754 C LYS A 45 -8.208 -3.956 2.382 1.00 0.00 C ATOM 755 O LYS A 45 -8.245 -4.187 1.174 1.00 0.00 O ATOM 756 CB LYS A 45 -10.661 -3.775 2.854 1.00 0.00 C ATOM 757 CG LYS A 45 -10.720 -5.218 3.321 1.00 0.00 C ATOM 758 CD LYS A 45 -10.691 -6.181 2.153 1.00 0.00 C ATOM 759 CE LYS A 45 -10.813 -7.627 2.604 1.00 0.00 C ATOM 760 NZ LYS A 45 -9.765 -7.997 3.592 1.00 0.00 N ATOM 0 H LYS A 45 -9.982 -1.600 1.794 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.092 -3.075 4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.407 -3.195 3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.930 -3.732 1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.878 -5.422 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.628 -5.377 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.506 -5.945 1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.761 -6.051 1.599 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.797 -7.787 3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.741 -8.284 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.756 -9.029 3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.836 -7.682 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.969 -7.539 4.503 1.00 0.00 H new ATOM 774 N ILE A 46 -7.249 -4.399 3.169 1.00 0.00 N ATOM 775 CA ILE A 46 -6.123 -5.136 2.636 1.00 0.00 C ATOM 776 C ILE A 46 -6.534 -6.546 2.240 1.00 0.00 C ATOM 777 O ILE A 46 -7.174 -7.268 3.003 1.00 0.00 O ATOM 778 CB ILE A 46 -4.939 -5.160 3.628 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.368 -3.741 3.761 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.868 -6.147 3.173 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.139 -3.636 4.635 1.00 0.00 C ATOM 0 H ILE A 46 -7.227 -4.261 4.179 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.786 -4.617 1.738 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.290 -5.495 4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.123 -3.367 2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.142 -3.089 4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.045 -6.146 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.296 -7.148 3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.496 -5.854 2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.806 -2.599 4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.379 -3.975 5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.345 -4.258 4.222 1.00 0.00 H new ATOM 793 N LEU A 47 -6.197 -6.901 1.017 1.00 0.00 N ATOM 794 CA LEU A 47 -6.543 -8.191 0.456 1.00 0.00 C ATOM 795 C LEU A 47 -5.366 -9.139 0.578 1.00 0.00 C ATOM 796 O LEU A 47 -5.488 -10.255 1.080 1.00 0.00 O ATOM 797 CB LEU A 47 -6.889 -8.034 -1.022 1.00 0.00 C ATOM 798 CG LEU A 47 -7.763 -6.830 -1.369 1.00 0.00 C ATOM 799 CD1 LEU A 47 -7.953 -6.735 -2.872 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.106 -6.929 -0.668 1.00 0.00 C ATOM 0 H LEU A 47 -5.673 -6.300 0.381 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.399 -8.591 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.961 -7.962 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.398 -8.938 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.262 -5.925 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.578 -5.873 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.982 -6.622 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.436 -7.642 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.716 -6.063 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.615 -7.839 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.952 -6.956 0.411 1.00 0.00 H new ATOM 812 N LYS A 48 -4.221 -8.671 0.114 1.00 0.00 N ATOM 813 CA LYS A 48 -3.041 -9.497 0.020 1.00 0.00 C ATOM 814 C LYS A 48 -1.796 -8.679 0.312 1.00 0.00 C ATOM 815 O LYS A 48 -1.353 -7.887 -0.522 1.00 0.00 O ATOM 816 CB LYS A 48 -2.942 -10.111 -1.379 1.00 0.00 C ATOM 817 CG LYS A 48 -1.847 -11.158 -1.520 1.00 0.00 C ATOM 818 CD LYS A 48 -1.944 -11.885 -2.852 1.00 0.00 C ATOM 819 CE LYS A 48 -0.884 -12.972 -2.991 1.00 0.00 C ATOM 820 NZ LYS A 48 0.489 -12.415 -3.119 1.00 0.00 N ATOM 0 H LYS A 48 -4.088 -7.712 -0.206 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.117 -10.296 0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.900 -10.565 -1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.764 -9.315 -2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.871 -10.680 -1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.922 -11.877 -0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.934 -12.330 -2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.835 -11.167 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.926 -13.630 -2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.108 -13.583 -3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.143 -13.168 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.491 -11.658 -3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.794 -12.029 -2.203 1.00 0.00 H new ATOM 834 N THR A 49 -1.265 -8.842 1.509 1.00 0.00 N ATOM 835 CA THR A 49 0.022 -8.272 1.845 1.00 0.00 C ATOM 836 C THR A 49 1.108 -9.155 1.258 1.00 0.00 C ATOM 837 O THR A 49 1.146 -10.355 1.530 1.00 0.00 O ATOM 838 CB THR A 49 0.221 -8.181 3.369 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.907 -7.545 3.980 1.00 0.00 O ATOM 840 CG2 THR A 49 1.489 -7.409 3.703 1.00 0.00 C ATOM 0 H THR A 49 -1.707 -9.366 2.265 1.00 0.00 H new ATOM 0 HA THR A 49 0.071 -7.263 1.437 1.00 0.00 H new ATOM 0 HB THR A 49 0.316 -9.194 3.759 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.684 -8.140 3.931 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.609 -7.357 4.785 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.349 -7.916 3.266 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.418 -6.400 3.297 1.00 0.00 H new ATOM 848 N SER A 50 1.952 -8.597 0.416 1.00 0.00 N ATOM 849 CA SER A 50 3.020 -9.372 -0.181 1.00 0.00 C ATOM 850 C SER A 50 4.194 -8.480 -0.549 1.00 0.00 C ATOM 851 O SER A 50 4.180 -7.275 -0.290 1.00 0.00 O ATOM 852 CB SER A 50 2.506 -10.092 -1.429 1.00 0.00 C ATOM 853 OG SER A 50 1.358 -10.864 -1.126 1.00 0.00 O ATOM 0 H SER A 50 1.921 -7.618 0.131 1.00 0.00 H new ATOM 0 HA SER A 50 3.360 -10.108 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.266 -9.362 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.288 -10.737 -1.831 1.00 0.00 H new ATOM 0 HG SER A 50 1.632 -11.709 -0.711 1.00 0.00 H new ATOM 859 N GLU A 51 5.208 -9.084 -1.145 1.00 0.00 N ATOM 860 CA GLU A 51 6.363 -8.359 -1.628 1.00 0.00 C ATOM 861 C GLU A 51 7.133 -9.218 -2.621 1.00 0.00 C ATOM 862 O GLU A 51 6.951 -10.435 -2.666 1.00 0.00 O ATOM 863 CB GLU A 51 7.251 -7.903 -0.456 1.00 0.00 C ATOM 864 CG GLU A 51 7.600 -8.986 0.556 1.00 0.00 C ATOM 865 CD GLU A 51 8.710 -9.900 0.089 1.00 0.00 C ATOM 866 OE1 GLU A 51 8.527 -11.134 0.124 1.00 0.00 O ATOM 867 OE2 GLU A 51 9.774 -9.381 -0.314 1.00 0.00 O ATOM 0 H GLU A 51 5.250 -10.090 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 51 6.030 -7.459 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.177 -7.495 -0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.746 -7.090 0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.895 -8.516 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.711 -9.581 0.763 1.00 0.00 H new ATOM 874 N ASP A 52 7.962 -8.582 -3.429 1.00 0.00 N ATOM 875 CA ASP A 52 8.731 -9.284 -4.449 1.00 0.00 C ATOM 876 C ASP A 52 10.177 -9.427 -3.995 1.00 0.00 C ATOM 877 O ASP A 52 10.558 -10.427 -3.389 1.00 0.00 O ATOM 878 CB ASP A 52 8.651 -8.523 -5.780 1.00 0.00 C ATOM 879 CG ASP A 52 9.388 -9.205 -6.916 1.00 0.00 C ATOM 880 OD1 ASP A 52 8.846 -10.177 -7.482 1.00 0.00 O ATOM 881 OD2 ASP A 52 10.488 -8.739 -7.276 1.00 0.00 O ATOM 0 H ASP A 52 8.123 -7.575 -3.401 1.00 0.00 H new ATOM 0 HA ASP A 52 8.314 -10.280 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.604 -8.403 -6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.060 -7.522 -5.642 1.00 0.00 H new ATOM 886 N LYS A 53 10.971 -8.407 -4.269 1.00 0.00 N ATOM 887 CA LYS A 53 12.332 -8.339 -3.768 1.00 0.00 C ATOM 888 C LYS A 53 12.570 -6.974 -3.148 1.00 0.00 C ATOM 889 O LYS A 53 12.471 -6.807 -1.939 1.00 0.00 O ATOM 890 CB LYS A 53 13.342 -8.611 -4.888 1.00 0.00 C ATOM 891 CG LYS A 53 13.322 -10.043 -5.396 1.00 0.00 C ATOM 892 CD LYS A 53 13.965 -10.999 -4.402 1.00 0.00 C ATOM 893 CE LYS A 53 15.473 -10.816 -4.356 1.00 0.00 C ATOM 894 NZ LYS A 53 16.112 -11.671 -3.320 1.00 0.00 N ATOM 0 H LYS A 53 10.694 -7.609 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 53 12.470 -9.108 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.138 -7.937 -5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.343 -8.377 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.293 -10.349 -5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.849 -10.099 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.546 -10.832 -3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.730 -12.027 -4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.896 -11.054 -5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.704 -9.770 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.140 -11.513 -3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.729 -11.428 -2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.915 -12.671 -3.525 1.00 0.00 H new ATOM 908 N ARG A 54 12.813 -5.982 -3.983 1.00 0.00 N ATOM 909 CA ARG A 54 13.050 -4.626 -3.507 1.00 0.00 C ATOM 910 C ARG A 54 11.738 -3.865 -3.365 1.00 0.00 C ATOM 911 O ARG A 54 11.727 -2.638 -3.253 1.00 0.00 O ATOM 912 CB ARG A 54 13.963 -3.888 -4.482 1.00 0.00 C ATOM 913 CG ARG A 54 15.382 -4.411 -4.510 1.00 0.00 C ATOM 914 CD ARG A 54 16.185 -3.750 -5.613 1.00 0.00 C ATOM 915 NE ARG A 54 17.610 -4.024 -5.488 1.00 0.00 N ATOM 916 CZ ARG A 54 18.353 -4.561 -6.448 1.00 0.00 C ATOM 917 NH1 ARG A 54 17.782 -5.003 -7.562 1.00 0.00 N ATOM 918 NH2 ARG A 54 19.662 -4.685 -6.278 1.00 0.00 N ATOM 0 H ARG A 54 12.852 -6.087 -4.997 1.00 0.00 H new ATOM 0 HA ARG A 54 13.527 -4.684 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.540 -3.959 -5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.981 -2.831 -4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.860 -4.227 -3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.372 -5.491 -4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.831 -4.104 -6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.019 -2.673 -5.587 1.00 0.00 H new ATOM 0 HE ARG A 54 18.066 -3.788 -4.607 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.772 -4.930 -7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.354 -5.415 -8.299 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.096 -4.368 -5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.235 -5.097 -7.014 1.00 0.00 H new ATOM 932 N PHE A 55 10.629 -4.594 -3.340 1.00 0.00 N ATOM 933 CA PHE A 55 9.316 -3.967 -3.433 1.00 0.00 C ATOM 934 C PHE A 55 8.280 -4.692 -2.584 1.00 0.00 C ATOM 935 O PHE A 55 8.223 -5.919 -2.586 1.00 0.00 O ATOM 936 CB PHE A 55 8.832 -3.969 -4.888 1.00 0.00 C ATOM 937 CG PHE A 55 9.841 -3.482 -5.889 1.00 0.00 C ATOM 938 CD1 PHE A 55 10.549 -4.385 -6.666 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.081 -2.130 -6.053 1.00 0.00 C ATOM 940 CE1 PHE A 55 11.479 -3.947 -7.588 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.012 -1.687 -6.974 1.00 0.00 C ATOM 942 CZ PHE A 55 11.711 -2.596 -7.742 1.00 0.00 C ATOM 0 H PHE A 55 10.611 -5.610 -3.257 1.00 0.00 H new ATOM 0 HA PHE A 55 9.423 -2.947 -3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.536 -4.983 -5.156 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.940 -3.347 -4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.371 -5.444 -6.549 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.536 -1.414 -5.456 1.00 0.00 H new ATOM 0 HE1 PHE A 55 12.024 -4.661 -8.188 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.192 -0.629 -7.093 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.438 -2.250 -8.462 1.00 0.00 H new ATOM 952 N TYR A 56 7.478 -3.924 -1.861 1.00 0.00 N ATOM 953 CA TYR A 56 6.292 -4.443 -1.192 1.00 0.00 C ATOM 954 C TYR A 56 5.076 -4.232 -2.077 1.00 0.00 C ATOM 955 O TYR A 56 5.042 -3.298 -2.880 1.00 0.00 O ATOM 956 CB TYR A 56 6.059 -3.747 0.153 1.00 0.00 C ATOM 957 CG TYR A 56 6.757 -4.398 1.321 1.00 0.00 C ATOM 958 CD1 TYR A 56 6.239 -5.549 1.898 1.00 0.00 C ATOM 959 CD2 TYR A 56 7.917 -3.859 1.857 1.00 0.00 C ATOM 960 CE1 TYR A 56 6.859 -6.149 2.973 1.00 0.00 C ATOM 961 CE2 TYR A 56 8.547 -4.454 2.933 1.00 0.00 C ATOM 962 CZ TYR A 56 8.015 -5.599 3.488 1.00 0.00 C ATOM 963 OH TYR A 56 8.639 -6.196 4.557 1.00 0.00 O ATOM 0 H TYR A 56 7.630 -2.925 -1.721 1.00 0.00 H new ATOM 0 HA TYR A 56 6.448 -5.506 -1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.394 -2.713 0.076 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.988 -3.721 0.354 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.334 -5.982 1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.334 -2.961 1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.442 -7.045 3.410 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.452 -4.025 3.338 1.00 0.00 H new ATOM 0 HH TYR A 56 8.042 -6.181 5.334 1.00 0.00 H new ATOM 973 N TYR A 57 4.089 -5.100 -1.937 1.00 0.00 N ATOM 974 CA TYR A 57 2.863 -4.996 -2.713 1.00 0.00 C ATOM 975 C TYR A 57 1.656 -5.271 -1.833 1.00 0.00 C ATOM 976 O TYR A 57 1.437 -6.404 -1.402 1.00 0.00 O ATOM 977 CB TYR A 57 2.873 -5.978 -3.885 1.00 0.00 C ATOM 978 CG TYR A 57 4.004 -5.752 -4.860 1.00 0.00 C ATOM 979 CD1 TYR A 57 4.009 -4.653 -5.711 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.071 -6.635 -4.922 1.00 0.00 C ATOM 981 CE1 TYR A 57 5.051 -4.442 -6.592 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.112 -6.431 -5.802 1.00 0.00 C ATOM 983 CZ TYR A 57 6.099 -5.337 -6.633 1.00 0.00 C ATOM 984 OH TYR A 57 7.143 -5.129 -7.502 1.00 0.00 O ATOM 0 H TYR A 57 4.112 -5.888 -1.290 1.00 0.00 H new ATOM 0 HA TYR A 57 2.801 -3.981 -3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.939 -6.994 -3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.925 -5.902 -4.418 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.186 -3.954 -5.683 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.087 -7.496 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.045 -3.582 -7.245 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.935 -7.129 -5.838 1.00 0.00 H new ATOM 0 HH TYR A 57 6.791 -4.894 -8.386 1.00 0.00 H new ATOM 994 N VAL A 58 0.884 -4.235 -1.555 1.00 0.00 N ATOM 995 CA VAL A 58 -0.328 -4.392 -0.768 1.00 0.00 C ATOM 996 C VAL A 58 -1.557 -4.175 -1.636 1.00 0.00 C ATOM 997 O VAL A 58 -1.838 -3.054 -2.055 1.00 0.00 O ATOM 998 CB VAL A 58 -0.390 -3.414 0.420 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.576 -3.754 1.309 1.00 0.00 C ATOM 1000 CG2 VAL A 58 0.909 -3.428 1.211 1.00 0.00 C ATOM 0 H VAL A 58 1.073 -3.280 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.311 -5.409 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.523 -2.404 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.614 -3.058 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.497 -3.677 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.468 -4.771 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.836 -2.728 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.090 -4.432 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.734 -3.134 0.562 1.00 0.00 H new ATOM 1010 N SER A 59 -2.273 -5.248 -1.916 1.00 0.00 N ATOM 1011 CA SER A 59 -3.502 -5.158 -2.682 1.00 0.00 C ATOM 1012 C SER A 59 -4.652 -4.805 -1.742 1.00 0.00 C ATOM 1013 O SER A 59 -4.798 -5.420 -0.685 1.00 0.00 O ATOM 1014 CB SER A 59 -3.767 -6.484 -3.398 1.00 0.00 C ATOM 1015 OG SER A 59 -4.825 -6.369 -4.331 1.00 0.00 O ATOM 0 H SER A 59 -2.024 -6.193 -1.624 1.00 0.00 H new ATOM 0 HA SER A 59 -3.413 -4.378 -3.438 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.862 -6.808 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.010 -7.252 -2.664 1.00 0.00 H new ATOM 0 HG SER A 59 -4.968 -7.232 -4.772 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.444 -3.805 -2.108 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.502 -3.300 -1.237 1.00 0.00 C ATOM 1023 C VAL A 60 -7.808 -3.074 -1.990 1.00 0.00 C ATOM 1024 O VAL A 60 -7.810 -2.738 -3.173 1.00 0.00 O ATOM 1025 CB VAL A 60 -6.094 -1.969 -0.566 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.898 -2.180 0.349 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.792 -0.903 -1.616 1.00 0.00 C ATOM 0 H VAL A 60 -5.374 -3.325 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.654 -4.068 -0.478 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.931 -1.619 0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.624 -1.233 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.155 -2.903 1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.056 -2.556 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.507 0.025 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.974 -1.241 -2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.679 -0.731 -2.226 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.914 -3.261 -1.283 1.00 0.00 N ATOM 1038 CA ASP A 61 -10.236 -2.942 -1.803 1.00 0.00 C ATOM 1039 C ASP A 61 -10.573 -1.501 -1.443 1.00 0.00 C ATOM 1040 O ASP A 61 -10.715 -1.168 -0.265 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.283 -3.897 -1.215 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.684 -3.654 -1.747 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -13.532 -3.136 -0.987 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.949 -4.005 -2.920 1.00 0.00 O ATOM 0 H ASP A 61 -8.920 -3.637 -0.335 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.241 -3.058 -2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.992 -4.924 -1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.291 -3.793 -0.130 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.662 -0.642 -2.450 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.861 0.780 -2.206 1.00 0.00 C ATOM 1051 C ALA A 62 -12.302 1.201 -2.460 1.00 0.00 C ATOM 1052 O ALA A 62 -12.999 1.636 -1.543 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.911 1.602 -3.059 1.00 0.00 C ATOM 0 H ALA A 62 -10.600 -0.902 -3.434 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.645 0.966 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.073 2.662 -2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.882 1.341 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.096 1.394 -4.113 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.743 1.081 -3.706 1.00 0.00 N ATOM 1060 CA GLY A 63 -14.091 1.483 -4.053 1.00 0.00 C ATOM 1061 C GLY A 63 -15.099 0.389 -3.780 1.00 0.00 C ATOM 1062 O GLY A 63 -15.122 -0.185 -2.692 1.00 0.00 O ATOM 0 H GLY A 63 -12.191 0.713 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.361 2.374 -3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.128 1.754 -5.108 1.00 0.00 H new ATOM 1066 N ASP A 64 -15.934 0.096 -4.763 1.00 0.00 N ATOM 1067 CA ASP A 64 -16.899 -0.986 -4.640 1.00 0.00 C ATOM 1068 C ASP A 64 -16.408 -2.205 -5.408 1.00 0.00 C ATOM 1069 O ASP A 64 -16.990 -3.286 -5.324 1.00 0.00 O ATOM 1070 CB ASP A 64 -18.278 -0.557 -5.154 1.00 0.00 C ATOM 1071 CG ASP A 64 -18.323 -0.374 -6.658 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -17.892 0.690 -7.146 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -18.803 -1.289 -7.358 1.00 0.00 O ATOM 0 H ASP A 64 -15.964 0.591 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.997 -1.240 -3.585 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -19.016 -1.305 -4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -18.564 0.378 -4.672 1.00 0.00 H new ATOM 1078 N GLY A 65 -15.331 -2.017 -6.158 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.755 -3.109 -6.911 1.00 0.00 C ATOM 1080 C GLY A 65 -13.273 -2.921 -7.169 1.00 0.00 C ATOM 1081 O GLY A 65 -12.519 -3.897 -7.186 1.00 0.00 O ATOM 0 H GLY A 65 -14.846 -1.125 -6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.910 -4.041 -6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.277 -3.204 -7.863 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.853 -1.668 -7.351 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.474 -1.348 -7.668 1.00 0.00 C ATOM 1087 C GLU A 66 -10.537 -1.797 -6.556 1.00 0.00 C ATOM 1088 O GLU A 66 -10.814 -1.602 -5.367 1.00 0.00 O ATOM 1089 CB GLU A 66 -11.352 0.151 -7.931 1.00 0.00 C ATOM 1090 CG GLU A 66 -9.939 0.693 -7.856 1.00 0.00 C ATOM 1091 CD GLU A 66 -9.069 0.274 -9.023 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -9.082 0.967 -10.062 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -8.359 -0.744 -8.906 1.00 0.00 O ATOM 0 H GLU A 66 -13.463 -0.853 -7.281 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.179 -1.888 -8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.758 0.367 -8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.970 0.684 -7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.978 1.782 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.477 0.354 -6.929 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.426 -2.390 -6.960 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.501 -2.996 -6.034 1.00 0.00 C ATOM 1102 C LYS A 67 -7.078 -2.651 -6.424 1.00 0.00 C ATOM 1103 O LYS A 67 -6.540 -3.164 -7.408 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.716 -4.508 -5.979 1.00 0.00 C ATOM 1105 CG LYS A 67 -9.980 -4.889 -5.228 1.00 0.00 C ATOM 1106 CD LYS A 67 -10.397 -6.318 -5.496 1.00 0.00 C ATOM 1107 CE LYS A 67 -11.675 -6.653 -4.749 1.00 0.00 C ATOM 1108 NZ LYS A 67 -12.752 -5.662 -5.015 1.00 0.00 N ATOM 0 H LYS A 67 -9.146 -2.462 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.683 -2.601 -5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.768 -4.901 -6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.857 -4.977 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.819 -4.754 -4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.788 -4.217 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.546 -6.464 -6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.602 -6.998 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.016 -7.646 -5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.471 -6.688 -3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.669 -6.150 -5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.774 -4.959 -4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.567 -5.182 -5.919 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.485 -1.766 -5.650 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.176 -1.231 -5.959 1.00 0.00 C ATOM 1124 C CYS A 68 -4.107 -1.995 -5.214 1.00 0.00 C ATOM 1125 O CYS A 68 -4.329 -2.478 -4.113 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.112 0.242 -5.568 1.00 0.00 C ATOM 1127 SG CYS A 68 -3.969 1.231 -6.584 1.00 0.00 S ATOM 0 H CYS A 68 -6.896 -1.398 -4.792 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.004 -1.331 -7.031 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.111 0.671 -5.643 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.810 0.317 -4.523 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.950 -2.101 -5.821 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.824 -2.754 -5.191 1.00 0.00 C ATOM 1134 C LYS A 69 -0.728 -1.721 -4.958 1.00 0.00 C ATOM 1135 O LYS A 69 -0.047 -1.303 -5.896 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.326 -3.901 -6.071 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.157 -4.674 -5.495 1.00 0.00 C ATOM 1138 CD LYS A 69 0.393 -5.702 -6.483 1.00 0.00 C ATOM 1139 CE LYS A 69 -0.512 -6.921 -6.630 1.00 0.00 C ATOM 1140 NZ LYS A 69 -1.785 -6.619 -7.339 1.00 0.00 N ATOM 0 H LYS A 69 -2.761 -1.742 -6.757 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.121 -3.178 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.151 -4.592 -6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.036 -3.498 -7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.635 -3.979 -5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.472 -5.181 -4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.522 -5.231 -7.457 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.380 -6.025 -6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.023 -7.700 -7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.739 -7.319 -5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.019 -7.403 -7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.550 -6.501 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.677 -5.742 -7.888 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.604 -1.275 -3.718 1.00 0.00 N ATOM 1155 CA PHE A 70 0.380 -0.263 -3.369 1.00 0.00 C ATOM 1156 C PHE A 70 1.782 -0.824 -3.486 1.00 0.00 C ATOM 1157 O PHE A 70 2.092 -1.877 -2.925 1.00 0.00 O ATOM 1158 CB PHE A 70 0.128 0.282 -1.961 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.030 1.234 -1.905 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -0.844 2.579 -2.176 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.304 0.786 -1.599 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -1.905 3.461 -2.142 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.369 1.664 -1.561 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.169 3.003 -1.835 1.00 0.00 C ATOM 0 H PHE A 70 -1.173 -1.598 -2.936 1.00 0.00 H new ATOM 0 HA PHE A 70 0.282 0.565 -4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.059 -0.550 -1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.026 0.788 -1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.144 2.943 -2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.466 -0.261 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.746 4.508 -2.355 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.358 1.304 -1.317 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.002 3.690 -1.809 1.00 0.00 H new ATOM 1174 N LYS A 71 2.619 -0.119 -4.227 1.00 0.00 N ATOM 1175 CA LYS A 71 3.955 -0.588 -4.512 1.00 0.00 C ATOM 1176 C LYS A 71 4.951 0.109 -3.608 1.00 0.00 C ATOM 1177 O LYS A 71 5.564 1.119 -3.974 1.00 0.00 O ATOM 1178 CB LYS A 71 4.297 -0.342 -5.975 1.00 0.00 C ATOM 1179 CG LYS A 71 5.665 -0.850 -6.382 1.00 0.00 C ATOM 1180 CD LYS A 71 5.992 -0.403 -7.790 1.00 0.00 C ATOM 1181 CE LYS A 71 7.331 -0.965 -8.259 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.365 -2.454 -8.253 1.00 0.00 N ATOM 0 H LYS A 71 2.391 0.784 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 71 4.004 -1.660 -4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.543 -0.821 -6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.244 0.728 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.420 -0.477 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.689 -1.938 -6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.203 -0.727 -8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.019 0.686 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.538 -0.605 -9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.125 -0.585 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.139 -2.786 -8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.519 -2.794 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.461 -2.823 -8.610 1.00 0.00 H new ATOM 1196 N ILE A 72 5.088 -0.419 -2.417 1.00 0.00 N ATOM 1197 CA ILE A 72 5.984 0.151 -1.445 1.00 0.00 C ATOM 1198 C ILE A 72 7.403 -0.306 -1.719 1.00 0.00 C ATOM 1199 O ILE A 72 7.833 -1.362 -1.255 1.00 0.00 O ATOM 1200 CB ILE A 72 5.561 -0.222 -0.014 1.00 0.00 C ATOM 1201 CG1 ILE A 72 4.165 0.344 0.268 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.570 0.293 1.000 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.559 -0.140 1.564 1.00 0.00 C ATOM 0 H ILE A 72 4.587 -1.248 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 72 5.939 1.237 -1.531 1.00 0.00 H new ATOM 0 HB ILE A 72 5.529 -1.308 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.222 1.432 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.502 0.076 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.249 0.017 2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.547 -0.147 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.638 1.378 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.572 0.304 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.468 -1.226 1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.199 0.152 2.396 1.00 0.00 H new ATOM 1215 N ARG A 73 8.101 0.461 -2.536 1.00 0.00 N ATOM 1216 CA ARG A 73 9.499 0.199 -2.801 1.00 0.00 C ATOM 1217 C ARG A 73 10.240 0.250 -1.485 1.00 0.00 C ATOM 1218 O ARG A 73 10.234 1.277 -0.807 1.00 0.00 O ATOM 1219 CB ARG A 73 10.065 1.231 -3.777 1.00 0.00 C ATOM 1220 CG ARG A 73 11.363 0.811 -4.453 1.00 0.00 C ATOM 1221 CD ARG A 73 11.590 1.617 -5.723 1.00 0.00 C ATOM 1222 NE ARG A 73 12.847 1.289 -6.394 1.00 0.00 N ATOM 1223 CZ ARG A 73 13.446 2.103 -7.266 1.00 0.00 C ATOM 1224 NH1 ARG A 73 12.930 3.301 -7.516 1.00 0.00 N ATOM 1225 NH2 ARG A 73 14.561 1.723 -7.884 1.00 0.00 N ATOM 0 H ARG A 73 7.720 1.270 -3.027 1.00 0.00 H new ATOM 0 HA ARG A 73 9.616 -0.783 -3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.319 1.434 -4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.234 2.165 -3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.199 0.956 -3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.328 -0.252 -4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.762 1.442 -6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.582 2.679 -5.478 1.00 0.00 H new ATOM 0 HE ARG A 73 13.288 0.393 -6.185 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.077 3.598 -7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.387 3.924 -8.182 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.963 0.805 -7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.014 2.349 -8.549 1.00 0.00 H new ATOM 1239 N LYS A 74 10.830 -0.868 -1.107 1.00 0.00 N ATOM 1240 CA LYS A 74 11.503 -0.963 0.180 1.00 0.00 C ATOM 1241 C LYS A 74 12.645 0.044 0.263 1.00 0.00 C ATOM 1242 O LYS A 74 12.973 0.710 -0.722 1.00 0.00 O ATOM 1243 CB LYS A 74 12.039 -2.376 0.419 1.00 0.00 C ATOM 1244 CG LYS A 74 10.992 -3.473 0.311 1.00 0.00 C ATOM 1245 CD LYS A 74 11.624 -4.847 0.470 1.00 0.00 C ATOM 1246 CE LYS A 74 10.597 -5.965 0.412 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.238 -7.305 0.505 1.00 0.00 N ATOM 0 H LYS A 74 10.859 -1.720 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 74 10.771 -0.736 0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.833 -2.577 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.490 -2.417 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.229 -3.329 1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.491 -3.409 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.365 -4.997 -0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.154 -4.893 1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.883 -5.846 1.227 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.034 -5.894 -0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.510 -8.026 0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.726 -7.519 -0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.926 -7.307 1.285 1.00 0.00 H new ATOM 1261 N ASP A 75 13.257 0.137 1.436 1.00 0.00 N ATOM 1262 CA ASP A 75 14.347 1.081 1.672 1.00 0.00 C ATOM 1263 C ASP A 75 15.614 0.630 0.943 1.00 0.00 C ATOM 1264 O ASP A 75 16.619 0.269 1.554 1.00 0.00 O ATOM 1265 CB ASP A 75 14.605 1.210 3.173 1.00 0.00 C ATOM 1266 CG ASP A 75 15.588 2.311 3.527 1.00 0.00 C ATOM 1267 OD1 ASP A 75 15.919 3.138 2.655 1.00 0.00 O ATOM 1268 OD2 ASP A 75 16.013 2.356 4.700 1.00 0.00 O ATOM 0 H ASP A 75 13.016 -0.434 2.246 1.00 0.00 H new ATOM 0 HA ASP A 75 14.061 2.057 1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.660 1.401 3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.984 0.260 3.551 1.00 0.00 H new ATOM 1273 N VAL A 76 15.526 0.612 -0.373 1.00 0.00 N ATOM 1274 CA VAL A 76 16.638 0.239 -1.224 1.00 0.00 C ATOM 1275 C VAL A 76 17.313 1.490 -1.749 1.00 0.00 C ATOM 1276 O VAL A 76 18.378 1.441 -2.363 1.00 0.00 O ATOM 1277 CB VAL A 76 16.165 -0.612 -2.421 1.00 0.00 C ATOM 1278 CG1 VAL A 76 15.479 -1.875 -1.934 1.00 0.00 C ATOM 1279 CG2 VAL A 76 15.235 0.184 -3.327 1.00 0.00 C ATOM 0 H VAL A 76 14.678 0.857 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 76 17.336 -0.351 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 76 17.043 -0.893 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.151 -2.464 -2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 76 16.177 -2.461 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.615 -1.608 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.918 -0.441 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.361 0.504 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.760 1.060 -3.708 1.00 0.00 H new ATOM 1289 N ASP A 77 16.671 2.610 -1.471 1.00 0.00 N ATOM 1290 CA ASP A 77 17.048 3.900 -2.038 1.00 0.00 C ATOM 1291 C ASP A 77 16.195 5.004 -1.433 1.00 0.00 C ATOM 1292 O ASP A 77 16.705 5.916 -0.782 1.00 0.00 O ATOM 1293 CB ASP A 77 16.873 3.893 -3.562 1.00 0.00 C ATOM 1294 CG ASP A 77 17.228 5.223 -4.198 1.00 0.00 C ATOM 1295 OD1 ASP A 77 18.419 5.591 -4.191 1.00 0.00 O ATOM 1296 OD2 ASP A 77 16.318 5.899 -4.730 1.00 0.00 O ATOM 0 H ASP A 77 15.869 2.655 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 77 18.097 4.083 -1.805 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.499 3.111 -3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 77 15.840 3.644 -3.804 1.00 0.00 H new ATOM 1301 N VAL A 78 14.888 4.913 -1.646 1.00 0.00 N ATOM 1302 CA VAL A 78 13.963 5.899 -1.110 1.00 0.00 C ATOM 1303 C VAL A 78 13.361 5.430 0.203 1.00 0.00 C ATOM 1304 O VAL A 78 13.206 4.234 0.444 1.00 0.00 O ATOM 1305 CB VAL A 78 12.799 6.221 -2.075 1.00 0.00 C ATOM 1306 CG1 VAL A 78 13.299 6.867 -3.349 1.00 0.00 C ATOM 1307 CG2 VAL A 78 11.989 4.975 -2.385 1.00 0.00 C ATOM 0 H VAL A 78 14.447 4.168 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 78 14.557 6.800 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 78 12.146 6.936 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.455 7.080 -4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.814 7.797 -3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.989 6.190 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.177 5.229 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.633 4.229 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.575 4.571 -1.461 1.00 0.00 H new ATOM 1317 N PRO A 79 13.012 6.387 1.059 1.00 0.00 N ATOM 1318 CA PRO A 79 12.273 6.142 2.283 1.00 0.00 C ATOM 1319 C PRO A 79 10.774 6.240 2.043 1.00 0.00 C ATOM 1320 O PRO A 79 10.012 6.644 2.924 1.00 0.00 O ATOM 1321 CB PRO A 79 12.725 7.298 3.153 1.00 0.00 C ATOM 1322 CG PRO A 79 12.873 8.427 2.199 1.00 0.00 C ATOM 1323 CD PRO A 79 13.329 7.814 0.905 1.00 0.00 C ATOM 0 HA PRO A 79 12.449 5.154 2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.993 7.524 3.929 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.665 7.075 3.657 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.929 8.956 2.070 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.598 9.154 2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.809 8.249 0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.395 7.971 0.742 1.00 0.00 H new ATOM 1331 N LYS A 80 10.350 5.857 0.855 1.00 0.00 N ATOM 1332 CA LYS A 80 8.978 6.065 0.441 1.00 0.00 C ATOM 1333 C LYS A 80 8.537 4.998 -0.547 1.00 0.00 C ATOM 1334 O LYS A 80 9.207 3.987 -0.731 1.00 0.00 O ATOM 1335 CB LYS A 80 8.849 7.429 -0.223 1.00 0.00 C ATOM 1336 CG LYS A 80 7.677 8.250 0.275 1.00 0.00 C ATOM 1337 CD LYS A 80 7.185 9.193 -0.807 1.00 0.00 C ATOM 1338 CE LYS A 80 8.317 10.036 -1.371 1.00 0.00 C ATOM 1339 NZ LYS A 80 7.908 10.758 -2.602 1.00 0.00 N ATOM 0 H LYS A 80 10.938 5.399 0.158 1.00 0.00 H new ATOM 0 HA LYS A 80 8.345 6.010 1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.769 7.990 -0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.750 7.289 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.868 7.588 0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.974 8.821 1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.724 8.618 -1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.413 9.845 -0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.644 10.755 -0.620 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.171 9.396 -1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.707 11.321 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.620 10.071 -3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.109 11.388 -2.386 1.00 0.00 H new ATOM 1353 N MET A 81 7.416 5.251 -1.198 1.00 0.00 N ATOM 1354 CA MET A 81 6.894 4.342 -2.196 1.00 0.00 C ATOM 1355 C MET A 81 7.315 4.816 -3.571 1.00 0.00 C ATOM 1356 O MET A 81 7.125 5.984 -3.912 1.00 0.00 O ATOM 1357 CB MET A 81 5.362 4.267 -2.147 1.00 0.00 C ATOM 1358 CG MET A 81 4.798 3.778 -0.827 1.00 0.00 C ATOM 1359 SD MET A 81 2.999 3.617 -0.855 1.00 0.00 S ATOM 1360 CE MET A 81 2.509 5.302 -1.223 1.00 0.00 C ATOM 0 H MET A 81 6.848 6.085 -1.050 1.00 0.00 H new ATOM 0 HA MET A 81 7.294 3.350 -1.988 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.956 5.256 -2.357 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.018 3.606 -2.942 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.241 2.813 -0.582 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.085 4.470 -0.035 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.451 5.431 -0.997 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.096 5.992 -0.617 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.682 5.509 -2.279 1.00 0.00 H new ATOM 1370 N VAL A 82 7.921 3.925 -4.338 1.00 0.00 N ATOM 1371 CA VAL A 82 8.160 4.184 -5.757 1.00 0.00 C ATOM 1372 C VAL A 82 6.854 4.580 -6.440 1.00 0.00 C ATOM 1373 O VAL A 82 6.833 5.394 -7.363 1.00 0.00 O ATOM 1374 CB VAL A 82 8.746 2.947 -6.474 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.838 1.743 -6.300 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.970 3.226 -7.953 1.00 0.00 C ATOM 0 H VAL A 82 8.257 3.020 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 82 8.884 4.996 -5.824 1.00 0.00 H new ATOM 0 HB VAL A 82 9.710 2.725 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.270 0.884 -6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.733 1.517 -5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.858 1.962 -6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.383 2.338 -8.432 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.021 3.484 -8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.667 4.056 -8.065 1.00 0.00 H new ATOM 1386 N GLY A 83 5.763 4.004 -5.957 1.00 0.00 N ATOM 1387 CA GLY A 83 4.472 4.286 -6.512 1.00 0.00 C ATOM 1388 C GLY A 83 3.435 3.289 -6.060 1.00 0.00 C ATOM 1389 O GLY A 83 3.468 2.804 -4.928 1.00 0.00 O ATOM 0 H GLY A 83 5.759 3.341 -5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.163 5.289 -6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.535 4.276 -7.600 1.00 0.00 H new ATOM 1393 N ARG A 84 2.540 2.968 -6.965 1.00 0.00 N ATOM 1394 CA ARG A 84 1.420 2.089 -6.699 1.00 0.00 C ATOM 1395 C ARG A 84 0.583 2.047 -7.955 1.00 0.00 C ATOM 1396 O ARG A 84 0.557 3.024 -8.701 1.00 0.00 O ATOM 1397 CB ARG A 84 0.576 2.579 -5.503 1.00 0.00 C ATOM 1398 CG ARG A 84 -0.372 3.731 -5.809 1.00 0.00 C ATOM 1399 CD ARG A 84 0.352 5.018 -6.172 1.00 0.00 C ATOM 1400 NE ARG A 84 -0.587 6.102 -6.451 1.00 0.00 N ATOM 1401 CZ ARG A 84 -0.256 7.245 -7.048 1.00 0.00 C ATOM 1402 NH1 ARG A 84 0.982 7.434 -7.484 1.00 0.00 N ATOM 1403 NH2 ARG A 84 -1.165 8.198 -7.227 1.00 0.00 N ATOM 0 H ARG A 84 2.568 3.315 -7.924 1.00 0.00 H new ATOM 0 HA ARG A 84 1.783 1.096 -6.432 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.007 1.741 -5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.251 2.887 -4.704 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.028 3.446 -6.632 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.008 3.911 -4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.012 5.308 -5.354 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.982 4.848 -7.045 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.559 5.975 -6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.683 6.703 -7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.233 8.310 -7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.123 8.056 -6.906 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.905 9.071 -7.685 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.070 0.941 -8.220 1.00 0.00 N ATOM 1418 CA LYS A 85 -0.814 0.826 -9.454 1.00 0.00 C ATOM 1419 C LYS A 85 -2.030 -0.061 -9.273 1.00 0.00 C ATOM 1420 O LYS A 85 -1.922 -1.222 -8.869 1.00 0.00 O ATOM 1421 CB LYS A 85 0.099 0.284 -10.559 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.052 1.006 -11.888 1.00 0.00 C ATOM 1423 CD LYS A 85 0.232 2.493 -11.743 1.00 0.00 C ATOM 1424 CE LYS A 85 0.312 3.187 -13.090 1.00 0.00 C ATOM 1425 NZ LYS A 85 1.517 2.780 -13.857 1.00 0.00 N ATOM 0 H LYS A 85 -0.103 0.122 -7.613 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.169 1.815 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.136 0.360 -10.231 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.113 -0.775 -10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.630 0.573 -12.619 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.063 0.862 -12.270 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.551 2.955 -11.142 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.170 2.633 -11.206 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.582 2.956 -13.670 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.325 4.267 -12.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.456 3.156 -14.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.368 3.157 -13.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.572 1.742 -13.891 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.193 0.504 -9.535 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.421 -0.258 -9.513 1.00 0.00 C ATOM 1441 C CYS A 86 -4.631 -0.852 -10.898 1.00 0.00 C ATOM 1442 O CYS A 86 -4.515 -0.148 -11.903 1.00 0.00 O ATOM 1443 CB CYS A 86 -5.602 0.633 -9.115 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.158 2.036 -8.026 1.00 0.00 S ATOM 0 H CYS A 86 -3.310 1.491 -9.766 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.355 -1.056 -8.774 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.067 1.024 -10.020 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.350 0.021 -8.611 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.901 -2.142 -10.960 1.00 0.00 N ATOM 1450 CA ARG A 87 -4.968 -2.829 -12.234 1.00 0.00 C ATOM 1451 C ARG A 87 -6.318 -3.520 -12.380 1.00 0.00 C ATOM 1452 O ARG A 87 -6.453 -4.562 -13.022 1.00 0.00 O ATOM 1453 CB ARG A 87 -3.797 -3.810 -12.344 1.00 0.00 C ATOM 1454 CG ARG A 87 -3.590 -4.356 -13.740 1.00 0.00 C ATOM 1455 CD ARG A 87 -2.200 -4.946 -13.908 1.00 0.00 C ATOM 1456 NE ARG A 87 -1.921 -6.006 -12.939 1.00 0.00 N ATOM 1457 CZ ARG A 87 -0.691 -6.354 -12.553 1.00 0.00 C ATOM 1458 NH1 ARG A 87 0.369 -5.763 -13.092 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -0.527 -7.305 -11.642 1.00 0.00 N ATOM 0 H ARG A 87 -5.077 -2.732 -10.147 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.881 -2.115 -13.053 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.884 -3.310 -12.020 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.965 -4.641 -11.660 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.338 -5.121 -13.947 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.739 -3.559 -14.469 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.097 -5.345 -14.917 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.458 -4.155 -13.801 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.712 -6.508 -12.535 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.245 -5.042 -13.802 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.308 -6.030 -12.796 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.340 -7.769 -11.237 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.412 -7.572 -11.346 1.00 0.00 H new ATOM 1473 N LYS A 88 -7.322 -2.901 -11.782 1.00 0.00 N ATOM 1474 CA LYS A 88 -8.696 -3.354 -11.902 1.00 0.00 C ATOM 1475 C LYS A 88 -9.215 -2.986 -13.284 1.00 0.00 C ATOM 1476 O LYS A 88 -9.967 -3.737 -13.904 1.00 0.00 O ATOM 1477 CB LYS A 88 -9.551 -2.686 -10.822 1.00 0.00 C ATOM 1478 CG LYS A 88 -10.348 -3.648 -9.957 1.00 0.00 C ATOM 1479 CD LYS A 88 -11.816 -3.684 -10.357 1.00 0.00 C ATOM 1480 CE LYS A 88 -12.017 -4.283 -11.739 1.00 0.00 C ATOM 1481 NZ LYS A 88 -13.444 -4.283 -12.151 1.00 0.00 N ATOM 0 H LYS A 88 -7.207 -2.071 -11.200 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.747 -4.435 -11.771 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.901 -2.093 -10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.242 -1.993 -11.302 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.924 -4.649 -10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.263 -3.352 -8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -12.377 -4.266 -9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.221 -2.672 -10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.431 -3.720 -12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.638 -5.305 -11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -13.532 -4.701 -13.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -14.001 -4.842 -11.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -13.800 -3.306 -12.169 1.00 0.00 H new ATOM 1495 N ASP A 89 -8.783 -1.819 -13.751 1.00 0.00 N ATOM 1496 CA ASP A 89 -9.146 -1.312 -15.070 1.00 0.00 C ATOM 1497 C ASP A 89 -8.831 -2.337 -16.154 1.00 0.00 C ATOM 1498 O ASP A 89 -9.737 -2.875 -16.796 1.00 0.00 O ATOM 1499 CB ASP A 89 -8.398 -0.006 -15.344 1.00 0.00 C ATOM 1500 CG ASP A 89 -8.732 0.591 -16.693 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -7.915 0.457 -17.624 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -9.808 1.210 -16.824 1.00 0.00 O ATOM 0 H ASP A 89 -8.170 -1.197 -13.224 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.219 -1.123 -15.086 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.639 0.716 -14.563 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.325 -0.189 -15.289 1.00 0.00 H new ATOM 1507 N ASP A 90 -7.550 -2.619 -16.346 1.00 0.00 N ATOM 1508 CA ASP A 90 -7.135 -3.641 -17.298 1.00 0.00 C ATOM 1509 C ASP A 90 -5.725 -4.131 -16.998 1.00 0.00 C ATOM 1510 O ASP A 90 -5.542 -5.097 -16.261 1.00 0.00 O ATOM 1511 CB ASP A 90 -7.215 -3.125 -18.738 1.00 0.00 C ATOM 1512 CG ASP A 90 -6.894 -4.209 -19.746 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -5.861 -4.100 -20.435 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -7.665 -5.189 -19.834 1.00 0.00 O ATOM 0 H ASP A 90 -6.783 -2.157 -15.858 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.824 -4.479 -17.193 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.215 -2.736 -18.929 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.521 -2.294 -18.865 1.00 0.00 H new ATOM 1519 N ASP A 91 -4.731 -3.446 -17.543 1.00 0.00 N ATOM 1520 CA ASP A 91 -3.344 -3.858 -17.383 1.00 0.00 C ATOM 1521 C ASP A 91 -2.423 -2.653 -17.511 1.00 0.00 C ATOM 1522 O ASP A 91 -2.815 -1.628 -18.072 1.00 0.00 O ATOM 1523 CB ASP A 91 -2.990 -4.923 -18.426 1.00 0.00 C ATOM 1524 CG ASP A 91 -1.604 -5.495 -18.231 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -0.750 -5.313 -19.122 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -1.363 -6.118 -17.177 1.00 0.00 O ATOM 0 H ASP A 91 -4.859 -2.601 -18.101 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.212 -4.289 -16.390 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.721 -5.730 -18.378 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.062 -4.487 -19.423 1.00 0.00 H new ATOM 1531 N ASP A 92 -1.206 -2.771 -16.997 1.00 0.00 N ATOM 1532 CA ASP A 92 -0.284 -1.643 -16.961 1.00 0.00 C ATOM 1533 C ASP A 92 1.160 -2.103 -17.126 1.00 0.00 C ATOM 1534 O ASP A 92 1.540 -3.164 -16.625 1.00 0.00 O ATOM 1535 CB ASP A 92 -0.437 -0.888 -15.640 1.00 0.00 C ATOM 1536 CG ASP A 92 0.485 0.310 -15.547 1.00 0.00 C ATOM 1537 OD1 ASP A 92 0.285 1.284 -16.304 1.00 0.00 O ATOM 1538 OD2 ASP A 92 1.404 0.291 -14.705 1.00 0.00 O ATOM 0 H ASP A 92 -0.835 -3.634 -16.600 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.528 -0.981 -17.792 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.470 -0.557 -15.532 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.231 -1.566 -14.812 1.00 0.00 H new ATOM 1543 N ASP A 93 1.952 -1.305 -17.832 1.00 0.00 N ATOM 1544 CA ASP A 93 3.373 -1.577 -18.021 1.00 0.00 C ATOM 1545 C ASP A 93 4.182 -0.293 -17.855 1.00 0.00 C ATOM 1546 O ASP A 93 4.017 0.656 -18.624 1.00 0.00 O ATOM 1547 CB ASP A 93 3.629 -2.180 -19.403 1.00 0.00 C ATOM 1548 CG ASP A 93 5.107 -2.364 -19.695 1.00 0.00 C ATOM 1549 OD1 ASP A 93 5.713 -3.312 -19.151 1.00 0.00 O ATOM 1550 OD2 ASP A 93 5.668 -1.566 -20.475 1.00 0.00 O ATOM 0 H ASP A 93 1.629 -0.452 -18.289 1.00 0.00 H new ATOM 0 HA ASP A 93 3.687 -2.297 -17.265 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.126 -3.144 -19.473 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.190 -1.535 -20.164 1.00 0.00 H new ATOM 1555 N ASP A 94 5.043 -0.275 -16.847 1.00 0.00 N ATOM 1556 CA ASP A 94 5.862 0.897 -16.524 1.00 0.00 C ATOM 1557 C ASP A 94 6.885 0.523 -15.464 1.00 0.00 C ATOM 1558 O ASP A 94 8.078 0.793 -15.590 1.00 0.00 O ATOM 1559 CB ASP A 94 4.988 2.038 -15.996 1.00 0.00 C ATOM 1560 CG ASP A 94 5.805 3.217 -15.506 1.00 0.00 C ATOM 1561 OD1 ASP A 94 6.318 3.983 -16.344 1.00 0.00 O ATOM 1562 OD2 ASP A 94 5.928 3.390 -14.273 1.00 0.00 O ATOM 0 H ASP A 94 5.197 -1.070 -16.227 1.00 0.00 H new ATOM 0 HA ASP A 94 6.366 1.229 -17.432 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.314 2.370 -16.786 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.366 1.668 -15.181 1.00 0.00 H new ATOM 1567 N GLY A 95 6.380 -0.095 -14.418 1.00 0.00 N ATOM 1568 CA GLY A 95 7.196 -0.576 -13.334 1.00 0.00 C ATOM 1569 C GLY A 95 6.390 -1.548 -12.521 1.00 0.00 C ATOM 1570 O GLY A 95 5.984 -2.578 -13.051 1.00 0.00 O ATOM 0 H GLY A 95 5.383 -0.277 -14.299 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.093 -1.060 -13.721 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.526 0.256 -12.711 1.00 0.00 H new ATOM 1574 N TYR A 96 6.155 -1.216 -11.253 1.00 0.00 N ATOM 1575 CA TYR A 96 5.135 -1.879 -10.436 1.00 0.00 C ATOM 1576 C TYR A 96 5.141 -3.407 -10.584 1.00 0.00 C ATOM 1577 O TYR A 96 5.893 -4.054 -9.832 1.00 0.00 O ATOM 1578 CB TYR A 96 3.779 -1.242 -10.752 1.00 0.00 C ATOM 1579 CG TYR A 96 2.557 -2.002 -10.280 1.00 0.00 C ATOM 1580 CD1 TYR A 96 1.790 -2.728 -11.182 1.00 0.00 C ATOM 1581 CD2 TYR A 96 2.156 -1.973 -8.951 1.00 0.00 C ATOM 1582 CE1 TYR A 96 0.659 -3.404 -10.778 1.00 0.00 C ATOM 1583 CE2 TYR A 96 1.023 -2.655 -8.538 1.00 0.00 C ATOM 1584 CZ TYR A 96 0.281 -3.367 -9.459 1.00 0.00 C ATOM 1585 OH TYR A 96 -0.856 -4.030 -9.057 1.00 0.00 O ATOM 1586 OXT TYR A 96 4.414 -3.956 -11.435 1.00 0.00 O ATOM 0 H TYR A 96 6.664 -0.481 -10.762 1.00 0.00 H new ATOM 0 HA TYR A 96 5.363 -1.723 -9.381 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.756 -0.247 -10.308 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.705 -1.111 -11.832 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.086 -2.763 -12.220 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.734 -1.412 -8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.073 -3.960 -11.495 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.722 -2.630 -7.501 1.00 0.00 H new ATOM 0 HH TYR A 96 -1.590 -3.389 -8.957 1.00 0.00 H new TER 1596 TYR A 96