USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 752 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 -3 THR OG1 : rot -48:sc= 0.45 USER MOD Set 1.2: A 76 ASN : amide:sc= -6.25! C(o=-5.9!,f=-15!) USER MOD Set 1.3: A 77 SER OG : rot -123:sc= -0.0471 USER MOD Set 2.1: A 43 SER OG : rot -90:sc= 1.21 USER MOD Set 2.2: A 46 HIS : no HE2:sc= -9.29! C(o=-9.2!,f=-13!) USER MOD Set 2.3: A 65 SER OG : rot -77:sc= 0.22 USER MOD Set 2.4: A 70 TYR OH : rot -90:sc= -1.28! USER MOD Set 3.1: A 50 THR OG1 : rot 160:sc= -0.498 USER MOD Set 3.2: A 55 SER OG : rot -40:sc= -7.33! USER MOD Set 4.1: A 10 THR OG1 : rot 180:sc= 0.156 USER MOD Set 4.2: A 88 THR OG1 : rot 123:sc= 0.123 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.00999) USER MOD Single : A 8 SER OG : rot 180:sc= -1.15 USER MOD Single : A 9 MET CE :methyl -120:sc= -0.0591 (180deg=-1.39) USER MOD Single : A -4 THR OG1 : rot 171:sc= -1.21 USER MOD Single : A -5 LYS NZ :NH3+ -153:sc= -0.273 (180deg=-1.75!) USER MOD Single : A -6 SER N :NH3+ -137:sc= 0.0429 (180deg=0) USER MOD Single : A -6 SER OG : rot -130:sc= -0.737 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.275 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -126:sc= 0.117 USER MOD Single : A 23 THR OG1 : rot 0:sc= 0.717 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 111:sc= -0.938 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.314 K(o=-0.31,f=-2.5!) USER MOD Single : A 41 SER OG : rot 56:sc= -1.03 USER MOD Single : A 42 THR OG1 : rot 61:sc= 0.857 USER MOD Single : A 47 GLN : amide:sc= -0.903 X(o=-0.9,f=-0.46) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -132:sc= 0.0396 USER MOD Single : A 52 LYS NZ :NH3+ -122:sc= -0.0639 (180deg=-0.736) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.2! USER MOD Single : A 60 SER OG : rot 84:sc= -0.133 USER MOD Single : A 61 SER OG : rot 180:sc= 0.176 USER MOD Single : A 63 GLN : amide:sc= -0.353 K(o=-0.35,f=-2.9!) USER MOD Single : A 69 ASN : amide:sc= -5.64! C(o=-5.6!,f=-12!) USER MOD Single : A 71 SER OG : rot 79:sc= -2.53! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.85 K(o=-1.8,f=-3.5!) USER MOD Single : A 86 THR OG1 : rot 12:sc= 0.802 USER MOD Single : A 90 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.31) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -6 30.556 -1.015 3.374 1.00 0.00 N ATOM 2 CA SER A -6 29.522 -0.371 2.513 1.00 0.00 C ATOM 3 C SER A -6 29.637 1.153 2.597 1.00 0.00 C ATOM 4 O SER A -6 30.326 1.687 3.443 1.00 0.00 O ATOM 5 CB SER A -6 28.183 -0.841 3.084 1.00 0.00 C ATOM 6 OG SER A -6 27.796 0.022 4.148 1.00 0.00 O ATOM 0 H1 SER A -6 30.982 -1.815 2.865 1.00 0.00 H new ATOM 0 H2 SER A -6 31.294 -0.321 3.608 1.00 0.00 H new ATOM 0 H3 SER A -6 30.113 -1.358 4.250 1.00 0.00 H new ATOM 0 HA SER A -6 29.634 -0.639 1.462 1.00 0.00 H new ATOM 0 HB2 SER A -6 27.422 -0.840 2.304 1.00 0.00 H new ATOM 0 HB3 SER A -6 28.268 -1.866 3.445 1.00 0.00 H new ATOM 0 HG SER A -6 27.553 -0.514 4.932 1.00 0.00 H new ATOM 12 N LYS A -5 28.962 1.857 1.731 1.00 0.00 N ATOM 13 CA LYS A -5 29.030 3.346 1.766 1.00 0.00 C ATOM 14 C LYS A -5 27.835 3.911 2.543 1.00 0.00 C ATOM 15 O LYS A -5 27.861 5.031 3.012 1.00 0.00 O ATOM 16 CB LYS A -5 28.989 3.785 0.297 1.00 0.00 C ATOM 17 CG LYS A -5 27.630 3.438 -0.329 1.00 0.00 C ATOM 18 CD LYS A -5 27.800 2.306 -1.345 1.00 0.00 C ATOM 19 CE LYS A -5 28.664 2.787 -2.515 1.00 0.00 C ATOM 20 NZ LYS A -5 27.973 4.000 -3.034 1.00 0.00 N ATOM 0 H LYS A -5 28.366 1.466 1.001 1.00 0.00 H new ATOM 0 HA LYS A -5 29.928 3.709 2.266 1.00 0.00 H new ATOM 0 HB2 LYS A -5 29.165 4.858 0.227 1.00 0.00 H new ATOM 0 HB3 LYS A -5 29.788 3.294 -0.258 1.00 0.00 H new ATOM 0 HG2 LYS A -5 26.927 3.138 0.448 1.00 0.00 H new ATOM 0 HG3 LYS A -5 27.209 4.317 -0.817 1.00 0.00 H new ATOM 0 HD2 LYS A -5 28.265 1.443 -0.868 1.00 0.00 H new ATOM 0 HD3 LYS A -5 26.825 1.982 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A -5 29.677 3.020 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A -5 28.747 2.020 -3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A -5 28.195 4.121 -4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A -5 26.945 3.891 -2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A -5 28.295 4.836 -2.506 1.00 0.00 H new ATOM 34 N THR A -4 26.791 3.140 2.684 1.00 0.00 N ATOM 35 CA THR A -4 25.592 3.620 3.429 1.00 0.00 C ATOM 36 C THR A -4 24.680 2.435 3.753 1.00 0.00 C ATOM 37 O THR A -4 24.543 2.046 4.895 1.00 0.00 O ATOM 38 CB THR A -4 24.883 4.592 2.479 1.00 0.00 C ATOM 39 OG1 THR A -4 25.132 4.211 1.132 1.00 0.00 O ATOM 40 CG2 THR A -4 25.400 6.013 2.712 1.00 0.00 C ATOM 0 H THR A -4 26.717 2.193 2.313 1.00 0.00 H new ATOM 0 HA THR A -4 25.856 4.100 4.371 1.00 0.00 H new ATOM 0 HB THR A -4 23.811 4.563 2.672 1.00 0.00 H new ATOM 0 HG1 THR A -4 24.560 4.734 0.533 1.00 0.00 H new ATOM 0 HG21 THR A -4 24.893 6.700 2.035 1.00 0.00 H new ATOM 0 HG22 THR A -4 25.202 6.308 3.743 1.00 0.00 H new ATOM 0 HG23 THR A -4 26.473 6.045 2.525 1.00 0.00 H new ATOM 48 N THR A -3 24.067 1.862 2.742 1.00 0.00 N ATOM 49 CA THR A -3 23.153 0.685 2.940 1.00 0.00 C ATOM 50 C THR A -3 22.336 0.812 4.232 1.00 0.00 C ATOM 51 O THR A -3 22.061 -0.164 4.901 1.00 0.00 O ATOM 52 CB THR A -3 24.073 -0.541 2.999 1.00 0.00 C ATOM 53 OG1 THR A -3 23.282 -1.721 2.975 1.00 0.00 O ATOM 54 CG2 THR A -3 24.908 -0.516 4.283 1.00 0.00 C ATOM 0 H THR A -3 24.162 2.164 1.772 1.00 0.00 H new ATOM 0 HA THR A -3 22.425 0.613 2.132 1.00 0.00 H new ATOM 0 HB THR A -3 24.744 -0.525 2.140 1.00 0.00 H new ATOM 0 HG1 THR A -3 22.557 -1.642 3.629 1.00 0.00 H new ATOM 0 HG21 THR A -3 25.557 -1.392 4.312 1.00 0.00 H new ATOM 0 HG22 THR A -3 25.517 0.388 4.303 1.00 0.00 H new ATOM 0 HG23 THR A -3 24.245 -0.526 5.148 1.00 0.00 H new ATOM 62 N LEU A -2 21.945 2.006 4.585 1.00 0.00 N ATOM 63 CA LEU A -2 21.152 2.214 5.814 1.00 0.00 C ATOM 64 C LEU A -2 19.988 1.228 5.854 1.00 0.00 C ATOM 65 O LEU A -2 19.728 0.513 4.911 1.00 0.00 O ATOM 66 CB LEU A -2 20.654 3.657 5.696 1.00 0.00 C ATOM 67 CG LEU A -2 19.896 4.056 6.958 1.00 0.00 C ATOM 68 CD1 LEU A -2 20.109 5.540 7.233 1.00 0.00 C ATOM 69 CD2 LEU A -2 18.408 3.789 6.749 1.00 0.00 C ATOM 0 H LEU A -2 22.149 2.856 4.060 1.00 0.00 H new ATOM 0 HA LEU A -2 21.723 2.053 6.728 1.00 0.00 H new ATOM 0 HB2 LEU A -2 21.498 4.329 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A -2 20.005 3.756 4.826 1.00 0.00 H new ATOM 0 HG LEU A -2 20.262 3.476 7.805 1.00 0.00 H new ATOM 0 HD11 LEU A -2 19.567 5.824 8.135 1.00 0.00 H new ATOM 0 HD12 LEU A -2 21.172 5.735 7.372 1.00 0.00 H new ATOM 0 HD13 LEU A -2 19.740 6.123 6.389 1.00 0.00 H new ATOM 0 HD21 LEU A -2 17.858 4.071 7.647 1.00 0.00 H new ATOM 0 HD22 LEU A -2 18.048 4.375 5.904 1.00 0.00 H new ATOM 0 HD23 LEU A -2 18.253 2.729 6.547 1.00 0.00 H new ATOM 81 N ALA A -1 19.301 1.189 6.942 1.00 0.00 N ATOM 82 CA ALA A -1 18.153 0.256 7.074 1.00 0.00 C ATOM 83 C ALA A -1 16.930 0.818 6.342 1.00 0.00 C ATOM 84 O ALA A -1 17.047 1.437 5.302 1.00 0.00 O ATOM 85 CB ALA A -1 17.904 0.166 8.582 1.00 0.00 C ATOM 0 H ALA A -1 19.482 1.768 7.762 1.00 0.00 H new ATOM 0 HA ALA A -1 18.349 -0.723 6.637 1.00 0.00 H new ATOM 0 HB1 ALA A -1 17.068 -0.506 8.773 1.00 0.00 H new ATOM 0 HB2 ALA A -1 18.797 -0.216 9.076 1.00 0.00 H new ATOM 0 HB3 ALA A -1 17.670 1.157 8.972 1.00 0.00 H new ATOM 91 N ALA A 0 15.762 0.604 6.876 1.00 0.00 N ATOM 92 CA ALA A 0 14.526 1.116 6.223 1.00 0.00 C ATOM 93 C ALA A 0 13.476 1.436 7.285 1.00 0.00 C ATOM 94 O ALA A 0 13.229 0.656 8.183 1.00 0.00 O ATOM 95 CB ALA A 0 14.041 -0.022 5.324 1.00 0.00 C ATOM 0 H ALA A 0 15.609 0.092 7.745 1.00 0.00 H new ATOM 0 HA ALA A 0 14.707 2.029 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 0 13.130 0.284 4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 0 14.811 -0.259 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 0 13.835 -0.903 5.932 1.00 0.00 H new ATOM 101 N ARG A 1 12.859 2.577 7.192 1.00 0.00 N ATOM 102 CA ARG A 1 11.824 2.947 8.199 1.00 0.00 C ATOM 103 C ARG A 1 10.741 3.800 7.543 1.00 0.00 C ATOM 104 O ARG A 1 11.014 4.620 6.691 1.00 0.00 O ATOM 105 CB ARG A 1 12.570 3.747 9.268 1.00 0.00 C ATOM 106 CG ARG A 1 13.342 4.893 8.609 1.00 0.00 C ATOM 107 CD ARG A 1 13.246 6.143 9.484 1.00 0.00 C ATOM 108 NE ARG A 1 14.301 7.056 8.962 1.00 0.00 N ATOM 109 CZ ARG A 1 14.257 8.331 9.240 1.00 0.00 C ATOM 110 NH1 ARG A 1 13.222 9.040 8.881 1.00 0.00 N ATOM 111 NH2 ARG A 1 15.245 8.895 9.876 1.00 0.00 N ATOM 0 H ARG A 1 13.025 3.271 6.463 1.00 0.00 H new ATOM 0 HA ARG A 1 11.329 2.074 8.624 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.864 4.143 9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.257 3.097 9.809 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.386 4.611 8.473 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.935 5.097 7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.259 6.599 9.415 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.414 5.904 10.534 1.00 0.00 H new ATOM 0 HE ARG A 1 15.058 6.685 8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.449 8.598 8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.186 10.036 9.098 1.00 0.00 H new ATOM 0 HH21 ARG A 1 16.054 8.340 10.157 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.210 9.891 10.093 1.00 0.00 H new ATOM 125 N ILE A 2 9.512 3.615 7.929 1.00 0.00 N ATOM 126 CA ILE A 2 8.420 4.416 7.317 1.00 0.00 C ATOM 127 C ILE A 2 8.210 5.713 8.099 1.00 0.00 C ATOM 128 O ILE A 2 7.841 5.706 9.256 1.00 0.00 O ATOM 129 CB ILE A 2 7.178 3.531 7.395 1.00 0.00 C ATOM 130 CG1 ILE A 2 7.414 2.264 6.563 1.00 0.00 C ATOM 131 CG2 ILE A 2 5.976 4.300 6.839 1.00 0.00 C ATOM 132 CD1 ILE A 2 6.130 1.433 6.495 1.00 0.00 C ATOM 0 H ILE A 2 9.217 2.946 8.640 1.00 0.00 H new ATOM 0 HA ILE A 2 8.648 4.701 6.290 1.00 0.00 H new ATOM 0 HB ILE A 2 6.981 3.254 8.431 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.735 2.535 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.216 1.673 7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.086 3.673 6.892 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.818 5.204 7.428 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.167 4.572 5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.308 0.536 5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.827 1.148 7.503 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.339 2.023 6.032 1.00 0.00 H new ATOM 144 N LEU A 3 8.433 6.823 7.459 1.00 0.00 N ATOM 145 CA LEU A 3 8.245 8.132 8.125 1.00 0.00 C ATOM 146 C LEU A 3 6.802 8.592 7.926 1.00 0.00 C ATOM 147 O LEU A 3 6.244 9.314 8.728 1.00 0.00 O ATOM 148 CB LEU A 3 9.250 9.060 7.433 1.00 0.00 C ATOM 149 CG LEU A 3 8.945 9.203 5.935 1.00 0.00 C ATOM 150 CD1 LEU A 3 9.032 10.673 5.542 1.00 0.00 C ATOM 151 CD2 LEU A 3 9.976 8.425 5.115 1.00 0.00 C ATOM 0 H LEU A 3 8.742 6.877 6.488 1.00 0.00 H new ATOM 0 HA LEU A 3 8.414 8.109 9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.225 10.042 7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.259 8.668 7.564 1.00 0.00 H new ATOM 0 HG LEU A 3 7.946 8.813 5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.816 10.779 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.307 11.247 6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.036 11.046 5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.752 8.532 4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.973 8.817 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.939 7.371 5.389 1.00 0.00 H new ATOM 163 N THR A 4 6.195 8.148 6.865 1.00 0.00 N ATOM 164 CA THR A 4 4.776 8.512 6.593 1.00 0.00 C ATOM 165 C THR A 4 4.019 7.260 6.138 1.00 0.00 C ATOM 166 O THR A 4 4.525 6.466 5.369 1.00 0.00 O ATOM 167 CB THR A 4 4.832 9.553 5.473 1.00 0.00 C ATOM 168 OG1 THR A 4 5.649 10.642 5.881 1.00 0.00 O ATOM 169 CG2 THR A 4 3.420 10.058 5.173 1.00 0.00 C ATOM 0 H THR A 4 6.624 7.542 6.166 1.00 0.00 H new ATOM 0 HA THR A 4 4.263 8.907 7.470 1.00 0.00 H new ATOM 0 HB THR A 4 5.252 9.099 4.575 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.687 11.309 5.164 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.461 10.800 4.375 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.794 9.223 4.860 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.998 10.512 6.069 1.00 0.00 H new ATOM 177 N LYS A 5 2.822 7.063 6.611 1.00 0.00 N ATOM 178 CA LYS A 5 2.058 5.856 6.209 1.00 0.00 C ATOM 179 C LYS A 5 0.805 6.255 5.424 1.00 0.00 C ATOM 180 O LYS A 5 0.422 7.409 5.407 1.00 0.00 O ATOM 181 CB LYS A 5 1.674 5.178 7.525 1.00 0.00 C ATOM 182 CG LYS A 5 2.942 4.812 8.299 1.00 0.00 C ATOM 183 CD LYS A 5 3.028 5.654 9.573 1.00 0.00 C ATOM 184 CE LYS A 5 2.710 4.778 10.788 1.00 0.00 C ATOM 185 NZ LYS A 5 3.966 4.022 11.061 1.00 0.00 N ATOM 0 H LYS A 5 2.341 7.687 7.259 1.00 0.00 H new ATOM 0 HA LYS A 5 2.637 5.197 5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.051 5.844 8.121 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.085 4.283 7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.932 3.752 8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.821 4.983 7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.025 6.082 9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.327 6.487 9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.420 5.384 11.646 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.880 4.102 10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.742 3.017 11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.613 4.120 10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.420 4.401 11.916 1.00 0.00 H new ATOM 199 N PRO A 6 0.201 5.279 4.799 1.00 0.00 N ATOM 200 CA PRO A 6 -1.022 5.525 4.011 1.00 0.00 C ATOM 201 C PRO A 6 -2.241 5.543 4.937 1.00 0.00 C ATOM 202 O PRO A 6 -2.304 4.814 5.908 1.00 0.00 O ATOM 203 CB PRO A 6 -1.069 4.341 3.048 1.00 0.00 C ATOM 204 CG PRO A 6 -0.288 3.246 3.715 1.00 0.00 C ATOM 205 CD PRO A 6 0.596 3.869 4.771 1.00 0.00 C ATOM 0 HA PRO A 6 -1.024 6.482 3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.097 4.030 2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.633 4.602 2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.963 2.519 4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.316 2.710 2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.447 3.396 5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.651 3.758 4.521 1.00 0.00 H new ATOM 213 N ARG A 7 -3.205 6.376 4.655 1.00 0.00 N ATOM 214 CA ARG A 7 -4.409 6.444 5.534 1.00 0.00 C ATOM 215 C ARG A 7 -5.473 5.455 5.056 1.00 0.00 C ATOM 216 O ARG A 7 -5.582 5.163 3.882 1.00 0.00 O ATOM 217 CB ARG A 7 -4.913 7.882 5.400 1.00 0.00 C ATOM 218 CG ARG A 7 -4.367 8.726 6.555 1.00 0.00 C ATOM 219 CD ARG A 7 -2.876 9.001 6.333 1.00 0.00 C ATOM 220 NE ARG A 7 -2.830 10.276 5.566 1.00 0.00 N ATOM 221 CZ ARG A 7 -2.430 10.278 4.323 1.00 0.00 C ATOM 222 NH1 ARG A 7 -1.399 9.560 3.965 1.00 0.00 N ATOM 223 NH2 ARG A 7 -3.061 10.999 3.437 1.00 0.00 N ATOM 0 H ARG A 7 -3.212 7.011 3.857 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.181 6.185 6.568 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.594 8.303 4.446 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.003 7.899 5.407 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.914 9.666 6.622 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.514 8.204 7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.346 9.091 7.281 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.403 8.190 5.779 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.111 11.149 6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.905 8.996 4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.088 9.563 2.994 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.866 11.560 3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.749 11.001 2.466 1.00 0.00 H new ATOM 237 N SER A 8 -6.261 4.933 5.957 1.00 0.00 N ATOM 238 CA SER A 8 -7.315 3.962 5.551 1.00 0.00 C ATOM 239 C SER A 8 -8.431 4.677 4.788 1.00 0.00 C ATOM 240 O SER A 8 -8.299 5.817 4.392 1.00 0.00 O ATOM 241 CB SER A 8 -7.850 3.377 6.856 1.00 0.00 C ATOM 242 OG SER A 8 -6.762 3.073 7.716 1.00 0.00 O ATOM 0 H SER A 8 -6.220 5.137 6.955 1.00 0.00 H new ATOM 0 HA SER A 8 -6.924 3.188 4.891 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.522 4.088 7.338 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.430 2.477 6.653 1.00 0.00 H new ATOM 0 HG SER A 8 -7.103 2.699 8.555 1.00 0.00 H new ATOM 248 N MET A 9 -9.526 4.003 4.570 1.00 0.00 N ATOM 249 CA MET A 9 -10.658 4.613 3.821 1.00 0.00 C ATOM 250 C MET A 9 -11.819 3.626 3.734 1.00 0.00 C ATOM 251 O MET A 9 -11.696 2.468 4.078 1.00 0.00 O ATOM 252 CB MET A 9 -10.116 4.881 2.425 1.00 0.00 C ATOM 253 CG MET A 9 -10.747 6.148 1.854 1.00 0.00 C ATOM 254 SD MET A 9 -10.259 7.579 2.849 1.00 0.00 S ATOM 255 CE MET A 9 -8.655 7.867 2.063 1.00 0.00 C ATOM 0 H MET A 9 -9.685 3.045 4.883 1.00 0.00 H new ATOM 0 HA MET A 9 -11.024 5.518 4.306 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.032 4.989 2.462 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.330 4.033 1.774 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.432 6.288 0.820 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.833 6.053 1.846 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.864 7.782 2.808 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.496 7.127 1.279 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.637 8.866 1.628 1.00 0.00 H new ATOM 265 N THR A 10 -12.935 4.083 3.265 1.00 0.00 N ATOM 266 CA THR A 10 -14.118 3.186 3.132 1.00 0.00 C ATOM 267 C THR A 10 -15.018 3.660 1.993 1.00 0.00 C ATOM 268 O THR A 10 -15.377 4.818 1.908 1.00 0.00 O ATOM 269 CB THR A 10 -14.838 3.279 4.474 1.00 0.00 C ATOM 270 OG1 THR A 10 -15.912 2.347 4.499 1.00 0.00 O ATOM 271 CG2 THR A 10 -15.379 4.695 4.680 1.00 0.00 C ATOM 0 H THR A 10 -13.087 5.046 2.964 1.00 0.00 H new ATOM 0 HA THR A 10 -13.836 2.160 2.897 1.00 0.00 H new ATOM 0 HB THR A 10 -14.136 3.048 5.275 1.00 0.00 H new ATOM 0 HG1 THR A 10 -16.375 2.404 5.361 1.00 0.00 H new ATOM 0 HG21 THR A 10 -15.891 4.753 5.640 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.553 5.406 4.666 1.00 0.00 H new ATOM 0 HG23 THR A 10 -16.079 4.937 3.880 1.00 0.00 H new ATOM 279 N VAL A 11 -15.387 2.772 1.121 1.00 0.00 N ATOM 280 CA VAL A 11 -16.263 3.155 -0.012 1.00 0.00 C ATOM 281 C VAL A 11 -17.129 1.966 -0.422 1.00 0.00 C ATOM 282 O VAL A 11 -17.127 0.934 0.219 1.00 0.00 O ATOM 283 CB VAL A 11 -15.305 3.510 -1.140 1.00 0.00 C ATOM 284 CG1 VAL A 11 -14.430 4.695 -0.732 1.00 0.00 C ATOM 285 CG2 VAL A 11 -14.418 2.307 -1.445 1.00 0.00 C ATOM 0 H VAL A 11 -15.117 1.789 1.145 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.932 3.978 0.239 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.880 3.780 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.748 4.941 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.062 5.556 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.855 4.434 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.730 2.557 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.850 2.039 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -15.040 1.464 -1.746 1.00 0.00 H new ATOM 295 N TYR A 12 -17.847 2.089 -1.501 1.00 0.00 N ATOM 296 CA TYR A 12 -18.682 0.950 -1.965 1.00 0.00 C ATOM 297 C TYR A 12 -17.833 0.078 -2.897 1.00 0.00 C ATOM 298 O TYR A 12 -18.045 -1.108 -3.041 1.00 0.00 O ATOM 299 CB TYR A 12 -19.846 1.589 -2.726 1.00 0.00 C ATOM 300 CG TYR A 12 -21.155 0.912 -2.360 1.00 0.00 C ATOM 301 CD1 TYR A 12 -21.494 0.702 -1.016 1.00 0.00 C ATOM 302 CD2 TYR A 12 -22.043 0.514 -3.370 1.00 0.00 C ATOM 303 CE1 TYR A 12 -22.716 0.102 -0.685 1.00 0.00 C ATOM 304 CE2 TYR A 12 -23.262 -0.089 -3.038 1.00 0.00 C ATOM 305 CZ TYR A 12 -23.601 -0.292 -1.696 1.00 0.00 C ATOM 306 OH TYR A 12 -24.804 -0.882 -1.370 1.00 0.00 O ATOM 0 H TYR A 12 -17.892 2.927 -2.080 1.00 0.00 H new ATOM 0 HA TYR A 12 -19.046 0.320 -1.153 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.902 2.652 -2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -19.675 1.507 -3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -20.812 1.003 -0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -21.786 0.673 -4.407 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -22.976 -0.057 0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.941 -0.398 -3.819 1.00 0.00 H new ATOM 0 HH TYR A 12 -25.298 -1.093 -2.190 1.00 0.00 H new ATOM 316 N GLU A 13 -16.857 0.675 -3.524 1.00 0.00 N ATOM 317 CA GLU A 13 -15.965 -0.085 -4.442 1.00 0.00 C ATOM 318 C GLU A 13 -14.715 0.764 -4.735 1.00 0.00 C ATOM 319 O GLU A 13 -14.025 1.180 -3.828 1.00 0.00 O ATOM 320 CB GLU A 13 -16.807 -0.328 -5.701 1.00 0.00 C ATOM 321 CG GLU A 13 -17.355 1.002 -6.223 1.00 0.00 C ATOM 322 CD GLU A 13 -17.951 0.799 -7.617 1.00 0.00 C ATOM 323 OE1 GLU A 13 -17.182 0.667 -8.555 1.00 0.00 O ATOM 324 OE2 GLU A 13 -19.167 0.777 -7.722 1.00 0.00 O ATOM 0 H GLU A 13 -16.638 1.667 -3.438 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.613 -1.031 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.200 -0.808 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.629 -1.007 -5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.116 1.385 -5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.559 1.745 -6.262 1.00 0.00 H new ATOM 331 N GLY A 14 -14.415 1.039 -5.977 1.00 0.00 N ATOM 332 CA GLY A 14 -13.218 1.874 -6.278 1.00 0.00 C ATOM 333 C GLY A 14 -13.664 3.324 -6.463 1.00 0.00 C ATOM 334 O GLY A 14 -13.383 3.950 -7.465 1.00 0.00 O ATOM 0 H GLY A 14 -14.944 0.723 -6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.494 1.802 -5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.723 1.513 -7.180 1.00 0.00 H new ATOM 338 N GLU A 15 -14.370 3.859 -5.503 1.00 0.00 N ATOM 339 CA GLU A 15 -14.850 5.264 -5.620 1.00 0.00 C ATOM 340 C GLU A 15 -13.695 6.202 -5.969 1.00 0.00 C ATOM 341 O GLU A 15 -13.617 6.732 -7.059 1.00 0.00 O ATOM 342 CB GLU A 15 -15.426 5.599 -4.244 1.00 0.00 C ATOM 343 CG GLU A 15 -16.746 6.349 -4.416 1.00 0.00 C ATOM 344 CD GLU A 15 -16.454 7.816 -4.735 1.00 0.00 C ATOM 345 OE1 GLU A 15 -16.329 8.592 -3.803 1.00 0.00 O ATOM 346 OE2 GLU A 15 -16.353 8.138 -5.907 1.00 0.00 O ATOM 0 H GLU A 15 -14.635 3.381 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.590 5.381 -6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.586 4.685 -3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.720 6.208 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -17.331 5.900 -5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.342 6.274 -3.506 1.00 0.00 H new ATOM 353 N SER A 16 -12.802 6.414 -5.049 1.00 0.00 N ATOM 354 CA SER A 16 -11.649 7.325 -5.316 1.00 0.00 C ATOM 355 C SER A 16 -10.743 7.402 -4.087 1.00 0.00 C ATOM 356 O SER A 16 -10.436 8.470 -3.597 1.00 0.00 O ATOM 357 CB SER A 16 -12.268 8.697 -5.609 1.00 0.00 C ATOM 358 OG SER A 16 -13.540 8.793 -4.977 1.00 0.00 O ATOM 0 H SER A 16 -12.817 5.996 -4.119 1.00 0.00 H new ATOM 0 HA SER A 16 -11.037 6.973 -6.147 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.611 9.488 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.374 8.837 -6.685 1.00 0.00 H new ATOM 0 HG SER A 16 -13.933 9.671 -5.165 1.00 0.00 H new ATOM 364 N ALA A 17 -10.314 6.276 -3.583 1.00 0.00 N ATOM 365 CA ALA A 17 -9.429 6.285 -2.384 1.00 0.00 C ATOM 366 C ALA A 17 -7.957 6.319 -2.808 1.00 0.00 C ATOM 367 O ALA A 17 -7.523 5.548 -3.641 1.00 0.00 O ATOM 368 CB ALA A 17 -9.744 4.980 -1.652 1.00 0.00 C ATOM 0 H ALA A 17 -10.538 5.351 -3.950 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.597 7.159 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.131 4.910 -0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.798 4.964 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.528 4.135 -2.306 1.00 0.00 H new ATOM 374 N ARG A 18 -7.188 7.208 -2.236 1.00 0.00 N ATOM 375 CA ARG A 18 -5.742 7.299 -2.595 1.00 0.00 C ATOM 376 C ARG A 18 -4.882 7.102 -1.342 1.00 0.00 C ATOM 377 O ARG A 18 -5.276 7.460 -0.251 1.00 0.00 O ATOM 378 CB ARG A 18 -5.561 8.711 -3.153 1.00 0.00 C ATOM 379 CG ARG A 18 -4.671 8.660 -4.396 1.00 0.00 C ATOM 380 CD ARG A 18 -3.934 9.992 -4.552 1.00 0.00 C ATOM 381 NE ARG A 18 -4.052 10.329 -5.997 1.00 0.00 N ATOM 382 CZ ARG A 18 -4.899 11.242 -6.388 1.00 0.00 C ATOM 383 NH1 ARG A 18 -4.547 12.498 -6.393 1.00 0.00 N ATOM 384 NH2 ARG A 18 -6.098 10.899 -6.771 1.00 0.00 N ATOM 0 H ARG A 18 -7.501 7.878 -1.533 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.442 6.537 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.531 9.141 -3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.112 9.357 -2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.954 7.844 -4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.275 8.461 -5.281 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.381 10.766 -3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.890 9.903 -4.251 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.471 9.846 -6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.610 12.766 -6.091 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.208 13.212 -6.698 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.374 9.917 -6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.760 11.613 -7.076 1.00 0.00 H new ATOM 398 N PHE A 19 -3.717 6.529 -1.483 1.00 0.00 N ATOM 399 CA PHE A 19 -2.853 6.309 -0.280 1.00 0.00 C ATOM 400 C PHE A 19 -1.381 6.563 -0.607 1.00 0.00 C ATOM 401 O PHE A 19 -0.952 6.425 -1.733 1.00 0.00 O ATOM 402 CB PHE A 19 -3.049 4.838 0.093 1.00 0.00 C ATOM 403 CG PHE A 19 -4.519 4.538 0.229 1.00 0.00 C ATOM 404 CD1 PHE A 19 -5.268 5.167 1.227 1.00 0.00 C ATOM 405 CD2 PHE A 19 -5.132 3.635 -0.645 1.00 0.00 C ATOM 406 CE1 PHE A 19 -6.633 4.893 1.351 1.00 0.00 C ATOM 407 CE2 PHE A 19 -6.497 3.359 -0.522 1.00 0.00 C ATOM 408 CZ PHE A 19 -7.250 3.988 0.478 1.00 0.00 C ATOM 0 H PHE A 19 -3.326 6.206 -2.368 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.123 6.987 0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.607 4.198 -0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.536 4.619 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.793 5.864 1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.551 3.150 -1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.213 5.380 2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.970 2.662 -1.197 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.304 3.775 0.576 1.00 0.00 H new ATOM 418 N SER A 20 -0.599 6.920 0.373 1.00 0.00 N ATOM 419 CA SER A 20 0.849 7.153 0.115 1.00 0.00 C ATOM 420 C SER A 20 1.671 6.888 1.371 1.00 0.00 C ATOM 421 O SER A 20 1.395 7.403 2.435 1.00 0.00 O ATOM 422 CB SER A 20 0.972 8.612 -0.295 1.00 0.00 C ATOM 423 OG SER A 20 2.297 9.060 -0.032 1.00 0.00 O ATOM 0 H SER A 20 -0.898 7.060 1.338 1.00 0.00 H new ATOM 0 HA SER A 20 1.224 6.483 -0.659 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.740 8.726 -1.354 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.254 9.219 0.256 1.00 0.00 H new ATOM 0 HG SER A 20 2.383 10.000 -0.296 1.00 0.00 H new ATOM 429 N CYS A 21 2.696 6.108 1.240 1.00 0.00 N ATOM 430 CA CYS A 21 3.573 5.816 2.402 1.00 0.00 C ATOM 431 C CYS A 21 5.008 6.214 2.058 1.00 0.00 C ATOM 432 O CYS A 21 5.574 5.729 1.110 1.00 0.00 O ATOM 433 CB CYS A 21 3.471 4.307 2.610 1.00 0.00 C ATOM 434 SG CYS A 21 3.931 3.440 1.089 1.00 0.00 S ATOM 0 H CYS A 21 2.970 5.653 0.369 1.00 0.00 H new ATOM 0 HA CYS A 21 3.283 6.363 3.299 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.125 3.999 3.426 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.454 4.039 2.898 1.00 0.00 H new ATOM 0 HG CYS A 21 2.982 2.616 0.755 1.00 0.00 H new ATOM 440 N ASP A 22 5.604 7.095 2.803 1.00 0.00 N ATOM 441 CA ASP A 22 6.994 7.501 2.476 1.00 0.00 C ATOM 442 C ASP A 22 7.970 6.698 3.318 1.00 0.00 C ATOM 443 O ASP A 22 7.968 6.779 4.527 1.00 0.00 O ATOM 444 CB ASP A 22 7.085 8.985 2.825 1.00 0.00 C ATOM 445 CG ASP A 22 5.915 9.749 2.195 1.00 0.00 C ATOM 446 OD1 ASP A 22 5.206 9.158 1.394 1.00 0.00 O ATOM 447 OD2 ASP A 22 5.747 10.911 2.525 1.00 0.00 O ATOM 0 H ASP A 22 5.193 7.549 3.619 1.00 0.00 H new ATOM 0 HA ASP A 22 7.238 7.324 1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.072 9.113 3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.030 9.393 2.467 1.00 0.00 H new ATOM 452 N THR A 23 8.801 5.920 2.695 1.00 0.00 N ATOM 453 CA THR A 23 9.776 5.117 3.473 1.00 0.00 C ATOM 454 C THR A 23 11.201 5.519 3.114 1.00 0.00 C ATOM 455 O THR A 23 11.594 5.513 1.967 1.00 0.00 O ATOM 456 CB THR A 23 9.533 3.664 3.087 1.00 0.00 C ATOM 457 OG1 THR A 23 10.001 3.442 1.764 1.00 0.00 O ATOM 458 CG2 THR A 23 8.038 3.346 3.164 1.00 0.00 C ATOM 0 H THR A 23 8.848 5.805 1.683 1.00 0.00 H new ATOM 0 HA THR A 23 9.651 5.274 4.544 1.00 0.00 H new ATOM 0 HB THR A 23 10.070 3.014 3.778 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.376 4.273 1.406 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.873 2.305 2.886 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.683 3.511 4.181 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.492 3.995 2.479 1.00 0.00 H new ATOM 466 N ASP A 24 11.973 5.856 4.096 1.00 0.00 N ATOM 467 CA ASP A 24 13.388 6.256 3.834 1.00 0.00 C ATOM 468 C ASP A 24 14.322 5.058 4.025 1.00 0.00 C ATOM 469 O ASP A 24 13.962 4.067 4.627 1.00 0.00 O ATOM 470 CB ASP A 24 13.700 7.339 4.866 1.00 0.00 C ATOM 471 CG ASP A 24 15.029 8.010 4.513 1.00 0.00 C ATOM 472 OD1 ASP A 24 15.160 8.467 3.389 1.00 0.00 O ATOM 473 OD2 ASP A 24 15.894 8.054 5.372 1.00 0.00 O ATOM 0 H ASP A 24 11.692 5.875 5.076 1.00 0.00 H new ATOM 0 HA ASP A 24 13.527 6.613 2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.900 8.079 4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.754 6.902 5.863 1.00 0.00 H new ATOM 478 N GLY A 25 15.519 5.150 3.516 1.00 0.00 N ATOM 479 CA GLY A 25 16.487 4.023 3.663 1.00 0.00 C ATOM 480 C GLY A 25 17.407 3.978 2.441 1.00 0.00 C ATOM 481 O GLY A 25 17.086 4.504 1.395 1.00 0.00 O ATOM 0 H GLY A 25 15.871 5.958 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.076 4.152 4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.951 3.079 3.763 1.00 0.00 H new ATOM 485 N GLU A 26 18.551 3.357 2.562 1.00 0.00 N ATOM 486 CA GLU A 26 19.486 3.286 1.400 1.00 0.00 C ATOM 487 C GLU A 26 20.052 1.856 1.248 1.00 0.00 C ATOM 488 O GLU A 26 20.394 1.236 2.236 1.00 0.00 O ATOM 489 CB GLU A 26 20.608 4.268 1.741 1.00 0.00 C ATOM 490 CG GLU A 26 21.056 4.989 0.469 1.00 0.00 C ATOM 491 CD GLU A 26 21.665 6.344 0.834 1.00 0.00 C ATOM 492 OE1 GLU A 26 20.911 7.233 1.196 1.00 0.00 O ATOM 493 OE2 GLU A 26 22.876 6.470 0.743 1.00 0.00 O ATOM 0 H GLU A 26 18.878 2.897 3.412 1.00 0.00 H new ATOM 0 HA GLU A 26 18.993 3.532 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 26 20.261 4.991 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.449 3.736 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 26 21.787 4.383 -0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 26 20.207 5.129 -0.200 1.00 0.00 H new ATOM 500 N PRO A 27 20.148 1.365 0.022 1.00 0.00 N ATOM 501 CA PRO A 27 19.727 2.130 -1.185 1.00 0.00 C ATOM 502 C PRO A 27 18.201 2.217 -1.251 1.00 0.00 C ATOM 503 O PRO A 27 17.516 1.931 -0.289 1.00 0.00 O ATOM 504 CB PRO A 27 20.281 1.313 -2.349 1.00 0.00 C ATOM 505 CG PRO A 27 20.410 -0.075 -1.817 1.00 0.00 C ATOM 506 CD PRO A 27 20.678 0.043 -0.340 1.00 0.00 C ATOM 0 HA PRO A 27 20.091 3.157 -1.190 1.00 0.00 H new ATOM 0 HB2 PRO A 27 19.612 1.346 -3.209 1.00 0.00 H new ATOM 0 HB3 PRO A 27 21.245 1.700 -2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.498 -0.644 -1.999 1.00 0.00 H new ATOM 0 HG3 PRO A 27 21.222 -0.605 -2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 27 20.182 -0.751 0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.743 -0.032 -0.122 1.00 0.00 H new ATOM 514 N VAL A 28 17.676 2.631 -2.372 1.00 0.00 N ATOM 515 CA VAL A 28 16.190 2.772 -2.528 1.00 0.00 C ATOM 516 C VAL A 28 15.438 1.605 -1.860 1.00 0.00 C ATOM 517 O VAL A 28 15.763 0.456 -2.081 1.00 0.00 O ATOM 518 CB VAL A 28 15.941 2.773 -4.037 1.00 0.00 C ATOM 519 CG1 VAL A 28 14.457 3.031 -4.301 1.00 0.00 C ATOM 520 CG2 VAL A 28 16.768 3.880 -4.696 1.00 0.00 C ATOM 0 H VAL A 28 18.216 2.882 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 28 15.828 3.681 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 28 16.231 1.808 -4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.274 3.033 -5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.862 2.247 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.176 3.998 -3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.588 3.878 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.479 4.846 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.827 3.706 -4.505 1.00 0.00 H new ATOM 530 N PRO A 29 14.457 1.944 -1.052 1.00 0.00 N ATOM 531 CA PRO A 29 13.662 0.910 -0.339 1.00 0.00 C ATOM 532 C PRO A 29 12.699 0.211 -1.307 1.00 0.00 C ATOM 533 O PRO A 29 12.635 0.534 -2.477 1.00 0.00 O ATOM 534 CB PRO A 29 12.886 1.716 0.700 1.00 0.00 C ATOM 535 CG PRO A 29 12.781 3.090 0.129 1.00 0.00 C ATOM 536 CD PRO A 29 13.998 3.303 -0.728 1.00 0.00 C ATOM 0 HA PRO A 29 14.277 0.125 0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.900 1.286 0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.405 1.726 1.659 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.871 3.194 -0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.733 3.835 0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.756 3.867 -1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.765 3.866 -0.196 1.00 0.00 H new ATOM 544 N THR A 30 11.945 -0.740 -0.825 1.00 0.00 N ATOM 545 CA THR A 30 10.978 -1.459 -1.706 1.00 0.00 C ATOM 546 C THR A 30 9.606 -1.512 -1.030 1.00 0.00 C ATOM 547 O THR A 30 9.500 -1.406 0.175 1.00 0.00 O ATOM 548 CB THR A 30 11.553 -2.869 -1.859 1.00 0.00 C ATOM 549 OG1 THR A 30 12.921 -2.782 -2.234 1.00 0.00 O ATOM 550 CG2 THR A 30 10.773 -3.626 -2.935 1.00 0.00 C ATOM 0 H THR A 30 11.957 -1.052 0.146 1.00 0.00 H new ATOM 0 HA THR A 30 10.847 -0.968 -2.670 1.00 0.00 H new ATOM 0 HB THR A 30 11.469 -3.402 -0.912 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.292 -3.684 -2.331 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.183 -4.630 -3.043 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.724 -3.692 -2.646 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.855 -3.096 -3.884 1.00 0.00 H new ATOM 558 N VAL A 31 8.551 -1.669 -1.786 1.00 0.00 N ATOM 559 CA VAL A 31 7.199 -1.717 -1.157 1.00 0.00 C ATOM 560 C VAL A 31 6.438 -2.985 -1.563 1.00 0.00 C ATOM 561 O VAL A 31 6.654 -3.552 -2.616 1.00 0.00 O ATOM 562 CB VAL A 31 6.474 -0.441 -1.656 1.00 0.00 C ATOM 563 CG1 VAL A 31 5.569 -0.738 -2.865 1.00 0.00 C ATOM 564 CG2 VAL A 31 5.605 0.121 -0.533 1.00 0.00 C ATOM 0 H VAL A 31 8.566 -1.765 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 31 7.261 -1.748 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 31 7.237 0.277 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.078 0.181 -3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.172 -1.132 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.815 -1.473 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.094 1.018 -0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.867 -0.624 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.233 0.370 0.323 1.00 0.00 H new ATOM 574 N THR A 32 5.509 -3.385 -0.749 1.00 0.00 N ATOM 575 CA THR A 32 4.668 -4.563 -1.076 1.00 0.00 C ATOM 576 C THR A 32 3.380 -4.465 -0.265 1.00 0.00 C ATOM 577 O THR A 32 3.369 -4.651 0.932 1.00 0.00 O ATOM 578 CB THR A 32 5.479 -5.802 -0.693 1.00 0.00 C ATOM 579 OG1 THR A 32 6.868 -5.505 -0.764 1.00 0.00 O ATOM 580 CG2 THR A 32 5.146 -6.941 -1.658 1.00 0.00 C ATOM 0 H THR A 32 5.293 -2.939 0.143 1.00 0.00 H new ATOM 0 HA THR A 32 4.402 -4.614 -2.132 1.00 0.00 H new ATOM 0 HB THR A 32 5.229 -6.102 0.325 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.249 -5.503 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.722 -7.826 -1.389 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.082 -7.169 -1.599 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.397 -6.641 -2.675 1.00 0.00 H new ATOM 588 N TRP A 33 2.298 -4.146 -0.909 1.00 0.00 N ATOM 589 CA TRP A 33 1.011 -3.991 -0.178 1.00 0.00 C ATOM 590 C TRP A 33 0.299 -5.338 -0.075 1.00 0.00 C ATOM 591 O TRP A 33 -0.002 -5.967 -1.067 1.00 0.00 O ATOM 592 CB TRP A 33 0.200 -3.014 -1.028 1.00 0.00 C ATOM 593 CG TRP A 33 0.964 -1.740 -1.208 1.00 0.00 C ATOM 594 CD1 TRP A 33 1.992 -1.577 -2.058 1.00 0.00 C ATOM 595 CD2 TRP A 33 0.778 -0.463 -0.546 1.00 0.00 C ATOM 596 NE1 TRP A 33 2.465 -0.278 -1.956 1.00 0.00 N ATOM 597 CE2 TRP A 33 1.745 0.449 -1.032 1.00 0.00 C ATOM 598 CE3 TRP A 33 -0.124 -0.019 0.421 1.00 0.00 C ATOM 599 CZ2 TRP A 33 1.808 1.762 -0.566 1.00 0.00 C ATOM 600 CZ3 TRP A 33 -0.068 1.301 0.897 1.00 0.00 C ATOM 601 CH2 TRP A 33 0.898 2.191 0.403 1.00 0.00 C ATOM 0 H TRP A 33 2.247 -3.985 -1.915 1.00 0.00 H new ATOM 0 HA TRP A 33 1.149 -3.630 0.841 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.018 -3.458 -1.999 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.757 -2.810 -0.549 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.387 -2.337 -2.716 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.247 0.093 -2.496 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.872 -0.696 0.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.554 2.441 -0.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.771 1.633 1.646 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.938 3.205 0.771 1.00 0.00 H new ATOM 612 N LEU A 34 0.038 -5.786 1.123 1.00 0.00 N ATOM 613 CA LEU A 34 -0.662 -7.091 1.296 1.00 0.00 C ATOM 614 C LEU A 34 -1.388 -7.125 2.637 1.00 0.00 C ATOM 615 O LEU A 34 -1.007 -6.455 3.577 1.00 0.00 O ATOM 616 CB LEU A 34 0.427 -8.177 1.192 1.00 0.00 C ATOM 617 CG LEU A 34 1.076 -8.462 2.553 1.00 0.00 C ATOM 618 CD1 LEU A 34 1.912 -9.732 2.451 1.00 0.00 C ATOM 619 CD2 LEU A 34 1.964 -7.280 2.944 1.00 0.00 C ATOM 0 H LEU A 34 0.279 -5.305 1.989 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.427 -7.253 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.010 -9.094 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.192 -7.859 0.484 1.00 0.00 H new ATOM 0 HG LEU A 34 0.307 -8.598 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.376 -9.940 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.272 -10.567 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.687 -9.598 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.428 -7.477 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.740 -7.143 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.358 -6.376 3.010 1.00 0.00 H new ATOM 631 N ARG A 35 -2.408 -7.919 2.744 1.00 0.00 N ATOM 632 CA ARG A 35 -3.122 -8.013 4.035 1.00 0.00 C ATOM 633 C ARG A 35 -3.959 -9.290 4.072 1.00 0.00 C ATOM 634 O ARG A 35 -4.021 -9.975 5.073 1.00 0.00 O ATOM 635 CB ARG A 35 -4.001 -6.770 4.089 1.00 0.00 C ATOM 636 CG ARG A 35 -4.910 -6.843 5.315 1.00 0.00 C ATOM 637 CD ARG A 35 -4.070 -6.781 6.596 1.00 0.00 C ATOM 638 NE ARG A 35 -4.933 -7.386 7.648 1.00 0.00 N ATOM 639 CZ ARG A 35 -4.412 -8.185 8.540 1.00 0.00 C ATOM 640 NH1 ARG A 35 -3.984 -9.367 8.187 1.00 0.00 N ATOM 641 NH2 ARG A 35 -4.318 -7.801 9.783 1.00 0.00 N ATOM 0 H ARG A 35 -2.777 -8.505 1.995 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.447 -8.059 4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.381 -5.875 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.601 -6.696 3.182 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.624 -6.019 5.298 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.489 -7.766 5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.137 -7.333 6.484 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.804 -5.754 6.845 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.931 -7.176 7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.057 -9.666 7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.577 -9.991 8.884 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.651 -6.877 10.058 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.911 -8.425 10.480 1.00 0.00 H new ATOM 655 N LYS A 36 -4.595 -9.602 2.976 1.00 0.00 N ATOM 656 CA LYS A 36 -5.447 -10.828 2.897 1.00 0.00 C ATOM 657 C LYS A 36 -6.129 -10.906 1.527 1.00 0.00 C ATOM 658 O LYS A 36 -6.382 -11.975 1.006 1.00 0.00 O ATOM 659 CB LYS A 36 -6.518 -10.665 3.984 1.00 0.00 C ATOM 660 CG LYS A 36 -6.987 -12.045 4.450 1.00 0.00 C ATOM 661 CD LYS A 36 -8.487 -12.192 4.187 1.00 0.00 C ATOM 662 CE LYS A 36 -8.785 -13.609 3.694 1.00 0.00 C ATOM 663 NZ LYS A 36 -9.728 -13.432 2.555 1.00 0.00 N ATOM 0 H LYS A 36 -4.561 -9.052 2.118 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.855 -11.733 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.114 -10.103 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.362 -10.095 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.437 -12.825 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.780 -12.171 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.048 -11.988 5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.809 -11.462 3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.874 -14.116 3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.229 -14.216 4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.979 -14.363 2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.589 -12.953 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.276 -12.856 1.816 1.00 0.00 H new ATOM 677 N GLY A 37 -6.458 -9.778 0.955 1.00 0.00 N ATOM 678 CA GLY A 37 -7.155 -9.777 -0.359 1.00 0.00 C ATOM 679 C GLY A 37 -6.156 -9.852 -1.518 1.00 0.00 C ATOM 680 O GLY A 37 -6.242 -9.090 -2.460 1.00 0.00 O ATOM 0 H GLY A 37 -6.272 -8.854 1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.840 -10.624 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.757 -8.874 -0.453 1.00 0.00 H new ATOM 684 N GLN A 38 -5.214 -10.762 -1.465 1.00 0.00 N ATOM 685 CA GLN A 38 -4.220 -10.893 -2.571 1.00 0.00 C ATOM 686 C GLN A 38 -3.382 -9.629 -2.678 1.00 0.00 C ATOM 687 O GLN A 38 -3.898 -8.531 -2.750 1.00 0.00 O ATOM 688 CB GLN A 38 -5.027 -11.124 -3.856 1.00 0.00 C ATOM 689 CG GLN A 38 -4.071 -11.484 -4.996 1.00 0.00 C ATOM 690 CD GLN A 38 -3.930 -13.004 -5.089 1.00 0.00 C ATOM 691 OE1 GLN A 38 -4.815 -13.734 -4.689 1.00 0.00 O ATOM 692 NE2 GLN A 38 -2.846 -13.516 -5.605 1.00 0.00 N ATOM 0 H GLN A 38 -5.092 -11.423 -0.698 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.532 -11.719 -2.392 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.750 -11.926 -3.706 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.593 -10.228 -4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.447 -11.086 -5.938 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.096 -11.028 -4.824 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.103 -12.904 -5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.742 -14.528 -5.672 1.00 0.00 H new ATOM 701 N VAL A 39 -2.085 -9.805 -2.673 1.00 0.00 N ATOM 702 CA VAL A 39 -1.111 -8.660 -2.758 1.00 0.00 C ATOM 703 C VAL A 39 -1.699 -7.432 -3.468 1.00 0.00 C ATOM 704 O VAL A 39 -1.815 -7.388 -4.678 1.00 0.00 O ATOM 705 CB VAL A 39 0.073 -9.215 -3.550 1.00 0.00 C ATOM 706 CG1 VAL A 39 0.719 -10.361 -2.769 1.00 0.00 C ATOM 707 CG2 VAL A 39 -0.416 -9.733 -4.904 1.00 0.00 C ATOM 0 H VAL A 39 -1.642 -10.722 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.836 -8.311 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 39 0.806 -8.424 -3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.563 -10.756 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.069 -9.992 -1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.014 -11.152 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.428 -10.129 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.150 -10.523 -4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.875 -8.917 -5.462 1.00 0.00 H new ATOM 717 N LEU A 40 -2.056 -6.440 -2.693 1.00 0.00 N ATOM 718 CA LEU A 40 -2.636 -5.165 -3.229 1.00 0.00 C ATOM 719 C LEU A 40 -1.934 -4.768 -4.525 1.00 0.00 C ATOM 720 O LEU A 40 -2.519 -4.199 -5.423 1.00 0.00 O ATOM 721 CB LEU A 40 -2.319 -4.137 -2.136 1.00 0.00 C ATOM 722 CG LEU A 40 -3.538 -3.869 -1.251 1.00 0.00 C ATOM 723 CD1 LEU A 40 -3.930 -5.143 -0.520 1.00 0.00 C ATOM 724 CD2 LEU A 40 -3.177 -2.816 -0.202 1.00 0.00 C ATOM 0 H LEU A 40 -1.967 -6.460 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.700 -5.246 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.494 -4.499 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.989 -3.205 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.361 -3.524 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.798 -4.949 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.174 -5.919 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.099 -5.476 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.043 -2.622 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.353 -3.181 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.877 -1.894 -0.700 1.00 0.00 H new ATOM 736 N SER A 41 -0.672 -5.070 -4.608 1.00 0.00 N ATOM 737 CA SER A 41 0.119 -4.726 -5.822 1.00 0.00 C ATOM 738 C SER A 41 -0.614 -5.144 -7.094 1.00 0.00 C ATOM 739 O SER A 41 -0.473 -6.257 -7.559 1.00 0.00 O ATOM 740 CB SER A 41 1.412 -5.518 -5.677 1.00 0.00 C ATOM 741 OG SER A 41 1.107 -6.815 -5.185 1.00 0.00 O ATOM 0 H SER A 41 -0.146 -5.548 -3.876 1.00 0.00 H new ATOM 0 HA SER A 41 0.289 -3.652 -5.903 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.919 -5.590 -6.639 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.092 -5.007 -4.995 1.00 0.00 H new ATOM 0 HG SER A 41 0.453 -7.243 -5.776 1.00 0.00 H new ATOM 747 N THR A 42 -1.367 -4.237 -7.668 1.00 0.00 N ATOM 748 CA THR A 42 -2.110 -4.511 -8.933 1.00 0.00 C ATOM 749 C THR A 42 -2.607 -5.960 -9.002 1.00 0.00 C ATOM 750 O THR A 42 -2.115 -6.762 -9.770 1.00 0.00 O ATOM 751 CB THR A 42 -1.098 -4.227 -10.035 1.00 0.00 C ATOM 752 OG1 THR A 42 -0.096 -5.234 -10.032 1.00 0.00 O ATOM 753 CG2 THR A 42 -0.452 -2.856 -9.808 1.00 0.00 C ATOM 0 H THR A 42 -1.499 -3.295 -7.301 1.00 0.00 H new ATOM 0 HA THR A 42 -3.006 -3.896 -9.017 1.00 0.00 H new ATOM 0 HB THR A 42 -1.608 -4.226 -10.998 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.508 -6.106 -10.206 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.271 -2.659 -10.600 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.222 -2.085 -9.819 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.055 -2.848 -8.843 1.00 0.00 H new ATOM 761 N SER A 43 -3.576 -6.292 -8.204 1.00 0.00 N ATOM 762 CA SER A 43 -4.111 -7.687 -8.219 1.00 0.00 C ATOM 763 C SER A 43 -5.240 -7.799 -9.244 1.00 0.00 C ATOM 764 O SER A 43 -6.343 -8.198 -8.929 1.00 0.00 O ATOM 765 CB SER A 43 -4.635 -7.966 -6.811 1.00 0.00 C ATOM 766 OG SER A 43 -4.264 -6.919 -5.919 1.00 0.00 O ATOM 0 H SER A 43 -4.025 -5.662 -7.539 1.00 0.00 H new ATOM 0 HA SER A 43 -3.342 -8.408 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.720 -8.063 -6.834 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.238 -8.915 -6.451 1.00 0.00 H new ATOM 0 HG SER A 43 -3.400 -7.130 -5.508 1.00 0.00 H new ATOM 772 N ALA A 44 -4.970 -7.444 -10.472 1.00 0.00 N ATOM 773 CA ALA A 44 -6.022 -7.523 -11.527 1.00 0.00 C ATOM 774 C ALA A 44 -7.293 -6.814 -11.059 1.00 0.00 C ATOM 775 O ALA A 44 -8.395 -7.249 -11.326 1.00 0.00 O ATOM 776 CB ALA A 44 -6.277 -9.017 -11.728 1.00 0.00 C ATOM 0 H ALA A 44 -4.064 -7.102 -10.791 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.714 -7.039 -12.454 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.042 -9.156 -12.492 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.355 -9.504 -12.045 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.616 -9.458 -10.791 1.00 0.00 H new ATOM 782 N ARG A 45 -7.142 -5.725 -10.360 1.00 0.00 N ATOM 783 CA ARG A 45 -8.334 -4.981 -9.866 1.00 0.00 C ATOM 784 C ARG A 45 -7.886 -3.682 -9.196 1.00 0.00 C ATOM 785 O ARG A 45 -8.510 -2.649 -9.325 1.00 0.00 O ATOM 786 CB ARG A 45 -8.986 -5.922 -8.851 1.00 0.00 C ATOM 787 CG ARG A 45 -10.342 -5.366 -8.421 1.00 0.00 C ATOM 788 CD ARG A 45 -11.451 -6.016 -9.249 1.00 0.00 C ATOM 789 NE ARG A 45 -11.503 -5.224 -10.511 1.00 0.00 N ATOM 790 CZ ARG A 45 -12.326 -5.561 -11.467 1.00 0.00 C ATOM 791 NH1 ARG A 45 -12.754 -6.792 -11.563 1.00 0.00 N ATOM 792 NH2 ARG A 45 -12.717 -4.666 -12.333 1.00 0.00 N ATOM 0 H ARG A 45 -6.242 -5.316 -10.108 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.025 -4.707 -10.663 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.112 -6.912 -9.289 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.339 -6.038 -7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.506 -5.559 -7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.361 -4.284 -8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.231 -7.065 -9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.406 -5.985 -8.724 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.893 -4.415 -10.628 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.445 -7.493 -10.890 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.397 -7.052 -12.311 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.380 -3.706 -12.262 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.360 -4.927 -13.081 1.00 0.00 H new ATOM 806 N HIS A 46 -6.800 -3.733 -8.484 1.00 0.00 N ATOM 807 CA HIS A 46 -6.285 -2.522 -7.804 1.00 0.00 C ATOM 808 C HIS A 46 -5.068 -1.986 -8.565 1.00 0.00 C ATOM 809 O HIS A 46 -4.646 -2.565 -9.547 1.00 0.00 O ATOM 810 CB HIS A 46 -5.887 -3.022 -6.423 1.00 0.00 C ATOM 811 CG HIS A 46 -7.094 -3.601 -5.735 1.00 0.00 C ATOM 812 ND1 HIS A 46 -7.039 -4.783 -5.013 1.00 0.00 N ATOM 813 CD2 HIS A 46 -8.395 -3.173 -5.653 1.00 0.00 C ATOM 814 CE1 HIS A 46 -8.273 -5.023 -4.533 1.00 0.00 C ATOM 815 NE2 HIS A 46 -9.138 -4.072 -4.894 1.00 0.00 N ATOM 0 H HIS A 46 -6.241 -4.575 -8.343 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.009 -1.708 -7.755 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.106 -3.778 -6.509 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.475 -2.204 -5.832 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.213 -5.365 -4.871 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.784 -2.274 -6.109 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.532 -5.880 -3.929 1.00 0.00 H new ATOM 823 N GLN A 47 -4.499 -0.892 -8.135 1.00 0.00 N ATOM 824 CA GLN A 47 -3.316 -0.348 -8.862 1.00 0.00 C ATOM 825 C GLN A 47 -2.343 0.316 -7.883 1.00 0.00 C ATOM 826 O GLN A 47 -2.665 1.296 -7.243 1.00 0.00 O ATOM 827 CB GLN A 47 -3.898 0.682 -9.839 1.00 0.00 C ATOM 828 CG GLN A 47 -2.772 1.511 -10.476 1.00 0.00 C ATOM 829 CD GLN A 47 -1.734 0.583 -11.110 1.00 0.00 C ATOM 830 OE1 GLN A 47 -2.080 -0.334 -11.829 1.00 0.00 O ATOM 831 NE2 GLN A 47 -0.466 0.783 -10.873 1.00 0.00 N ATOM 0 H GLN A 47 -4.798 -0.356 -7.320 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.751 -1.125 -9.377 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.469 0.174 -10.616 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.591 1.340 -9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.184 2.179 -11.232 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.298 2.138 -9.720 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.175 1.552 -10.270 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.234 0.170 -11.291 1.00 0.00 H new ATOM 840 N VAL A 48 -1.149 -0.201 -7.771 1.00 0.00 N ATOM 841 CA VAL A 48 -0.163 0.418 -6.846 1.00 0.00 C ATOM 842 C VAL A 48 1.025 0.971 -7.646 1.00 0.00 C ATOM 843 O VAL A 48 1.194 0.678 -8.813 1.00 0.00 O ATOM 844 CB VAL A 48 0.256 -0.711 -5.870 1.00 0.00 C ATOM 845 CG1 VAL A 48 1.680 -1.222 -6.155 1.00 0.00 C ATOM 846 CG2 VAL A 48 0.204 -0.169 -4.442 1.00 0.00 C ATOM 0 H VAL A 48 -0.817 -1.021 -8.278 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.573 1.263 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.433 -1.545 -6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.931 -2.012 -5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.729 -1.615 -7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.389 -0.401 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.497 -0.954 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.888 0.674 -4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.810 0.159 -4.214 1.00 0.00 H new ATOM 856 N THR A 49 1.850 1.752 -7.017 1.00 0.00 N ATOM 857 CA THR A 49 3.037 2.312 -7.722 1.00 0.00 C ATOM 858 C THR A 49 4.161 2.562 -6.715 1.00 0.00 C ATOM 859 O THR A 49 3.924 2.682 -5.533 1.00 0.00 O ATOM 860 CB THR A 49 2.555 3.624 -8.340 1.00 0.00 C ATOM 861 OG1 THR A 49 3.661 4.312 -8.908 1.00 0.00 O ATOM 862 CG2 THR A 49 1.911 4.491 -7.261 1.00 0.00 C ATOM 0 H THR A 49 1.756 2.030 -6.040 1.00 0.00 H new ATOM 0 HA THR A 49 3.431 1.637 -8.482 1.00 0.00 H new ATOM 0 HB THR A 49 1.821 3.412 -9.117 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.354 5.153 -9.306 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.568 5.426 -7.703 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.063 3.962 -6.827 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.642 4.705 -6.482 1.00 0.00 H new ATOM 870 N THR A 50 5.380 2.637 -7.166 1.00 0.00 N ATOM 871 CA THR A 50 6.505 2.877 -6.217 1.00 0.00 C ATOM 872 C THR A 50 7.636 3.626 -6.931 1.00 0.00 C ATOM 873 O THR A 50 7.947 3.345 -8.071 1.00 0.00 O ATOM 874 CB THR A 50 6.959 1.479 -5.791 1.00 0.00 C ATOM 875 OG1 THR A 50 5.831 0.618 -5.730 1.00 0.00 O ATOM 876 CG2 THR A 50 7.615 1.548 -4.413 1.00 0.00 C ATOM 0 H THR A 50 5.648 2.543 -8.146 1.00 0.00 H new ATOM 0 HA THR A 50 6.214 3.486 -5.361 1.00 0.00 H new ATOM 0 HB THR A 50 7.678 1.096 -6.515 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.128 -0.315 -5.777 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.937 0.551 -4.113 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.479 2.211 -4.454 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.898 1.931 -3.687 1.00 0.00 H new ATOM 884 N THR A 51 8.253 4.580 -6.282 1.00 0.00 N ATOM 885 CA THR A 51 9.352 5.331 -6.954 1.00 0.00 C ATOM 886 C THR A 51 10.674 5.154 -6.176 1.00 0.00 C ATOM 887 O THR A 51 11.125 4.042 -5.981 1.00 0.00 O ATOM 888 CB THR A 51 8.861 6.786 -6.981 1.00 0.00 C ATOM 889 OG1 THR A 51 9.831 7.611 -7.611 1.00 0.00 O ATOM 890 CG2 THR A 51 8.605 7.274 -5.555 1.00 0.00 C ATOM 0 H THR A 51 8.045 4.868 -5.326 1.00 0.00 H new ATOM 0 HA THR A 51 9.568 4.977 -7.962 1.00 0.00 H new ATOM 0 HB THR A 51 7.930 6.839 -7.546 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.990 8.407 -7.062 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.257 8.307 -5.581 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.846 6.647 -5.087 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.529 7.217 -4.979 1.00 0.00 H new ATOM 898 N LYS A 52 11.315 6.214 -5.744 1.00 0.00 N ATOM 899 CA LYS A 52 12.605 6.049 -5.010 1.00 0.00 C ATOM 900 C LYS A 52 12.365 5.600 -3.562 1.00 0.00 C ATOM 901 O LYS A 52 12.402 4.425 -3.259 1.00 0.00 O ATOM 902 CB LYS A 52 13.259 7.429 -5.051 1.00 0.00 C ATOM 903 CG LYS A 52 13.637 7.771 -6.494 1.00 0.00 C ATOM 904 CD LYS A 52 14.795 8.771 -6.498 1.00 0.00 C ATOM 905 CE LYS A 52 14.292 10.136 -6.024 1.00 0.00 C ATOM 906 NZ LYS A 52 13.483 10.661 -7.159 1.00 0.00 N ATOM 0 H LYS A 52 11.003 7.177 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 52 13.234 5.282 -5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.575 8.180 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.147 7.442 -4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.923 6.866 -7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.778 8.192 -7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.595 8.420 -5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.214 8.854 -7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.691 10.043 -5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.121 10.803 -5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.872 11.575 -7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.514 9.985 -7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.498 10.790 -6.852 1.00 0.00 H new ATOM 920 N TYR A 53 12.134 6.520 -2.662 1.00 0.00 N ATOM 921 CA TYR A 53 11.914 6.123 -1.237 1.00 0.00 C ATOM 922 C TYR A 53 10.473 6.367 -0.821 1.00 0.00 C ATOM 923 O TYR A 53 10.191 6.604 0.332 1.00 0.00 O ATOM 924 CB TYR A 53 12.815 7.023 -0.407 1.00 0.00 C ATOM 925 CG TYR A 53 14.218 7.029 -0.966 1.00 0.00 C ATOM 926 CD1 TYR A 53 14.520 7.824 -2.072 1.00 0.00 C ATOM 927 CD2 TYR A 53 15.214 6.243 -0.374 1.00 0.00 C ATOM 928 CE1 TYR A 53 15.817 7.839 -2.593 1.00 0.00 C ATOM 929 CE2 TYR A 53 16.514 6.255 -0.895 1.00 0.00 C ATOM 930 CZ TYR A 53 16.815 7.054 -2.005 1.00 0.00 C ATOM 931 OH TYR A 53 18.096 7.068 -2.518 1.00 0.00 O ATOM 0 H TYR A 53 12.088 7.522 -2.848 1.00 0.00 H new ATOM 0 HA TYR A 53 12.131 5.064 -1.099 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.417 8.038 -0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.831 6.678 0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.750 8.429 -2.527 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.980 5.629 0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 53 16.049 8.456 -3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 53 17.284 5.649 -0.441 1.00 0.00 H new ATOM 0 HH TYR A 53 18.666 6.468 -1.992 1.00 0.00 H new ATOM 941 N LYS A 54 9.563 6.331 -1.739 1.00 0.00 N ATOM 942 CA LYS A 54 8.138 6.577 -1.369 1.00 0.00 C ATOM 943 C LYS A 54 7.201 5.823 -2.311 1.00 0.00 C ATOM 944 O LYS A 54 7.394 5.791 -3.509 1.00 0.00 O ATOM 945 CB LYS A 54 7.911 8.102 -1.469 1.00 0.00 C ATOM 946 CG LYS A 54 8.817 8.735 -2.535 1.00 0.00 C ATOM 947 CD LYS A 54 8.110 9.940 -3.158 1.00 0.00 C ATOM 948 CE LYS A 54 8.480 11.204 -2.379 1.00 0.00 C ATOM 949 NZ LYS A 54 7.192 11.700 -1.819 1.00 0.00 N ATOM 0 H LYS A 54 9.734 6.144 -2.727 1.00 0.00 H new ATOM 0 HA LYS A 54 7.927 6.220 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.867 8.301 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.107 8.565 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.761 9.046 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.056 8.002 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.400 10.046 -4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.030 9.791 -3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.197 10.985 -1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.941 11.948 -3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.363 12.567 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.532 11.907 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.780 10.973 -1.199 1.00 0.00 H new ATOM 963 N SER A 55 6.182 5.215 -1.772 1.00 0.00 N ATOM 964 CA SER A 55 5.225 4.467 -2.622 1.00 0.00 C ATOM 965 C SER A 55 3.828 5.052 -2.492 1.00 0.00 C ATOM 966 O SER A 55 3.560 5.876 -1.645 1.00 0.00 O ATOM 967 CB SER A 55 5.221 3.035 -2.098 1.00 0.00 C ATOM 968 OG SER A 55 5.321 2.162 -3.204 1.00 0.00 O ATOM 0 H SER A 55 5.973 5.206 -0.774 1.00 0.00 H new ATOM 0 HA SER A 55 5.514 4.519 -3.672 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.054 2.878 -1.413 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.307 2.837 -1.538 1.00 0.00 H new ATOM 0 HG SER A 55 4.775 2.505 -3.942 1.00 0.00 H new ATOM 974 N THR A 56 2.935 4.615 -3.324 1.00 0.00 N ATOM 975 CA THR A 56 1.542 5.120 -3.253 1.00 0.00 C ATOM 976 C THR A 56 0.581 4.063 -3.784 1.00 0.00 C ATOM 977 O THR A 56 0.839 3.418 -4.783 1.00 0.00 O ATOM 978 CB THR A 56 1.532 6.374 -4.123 1.00 0.00 C ATOM 979 OG1 THR A 56 2.347 6.165 -5.265 1.00 0.00 O ATOM 980 CG2 THR A 56 2.088 7.542 -3.318 1.00 0.00 C ATOM 0 H THR A 56 3.109 3.926 -4.055 1.00 0.00 H new ATOM 0 HA THR A 56 1.224 5.344 -2.235 1.00 0.00 H new ATOM 0 HB THR A 56 0.512 6.592 -4.439 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.339 6.970 -5.824 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.084 8.442 -3.933 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.469 7.703 -2.435 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.109 7.318 -3.009 1.00 0.00 H new ATOM 988 N PHE A 57 -0.520 3.870 -3.119 1.00 0.00 N ATOM 989 CA PHE A 57 -1.491 2.850 -3.580 1.00 0.00 C ATOM 990 C PHE A 57 -2.860 3.490 -3.806 1.00 0.00 C ATOM 991 O PHE A 57 -3.388 4.166 -2.950 1.00 0.00 O ATOM 992 CB PHE A 57 -1.543 1.828 -2.440 1.00 0.00 C ATOM 993 CG PHE A 57 -2.661 0.841 -2.681 1.00 0.00 C ATOM 994 CD1 PHE A 57 -2.831 0.280 -3.951 1.00 0.00 C ATOM 995 CD2 PHE A 57 -3.523 0.490 -1.637 1.00 0.00 C ATOM 996 CE1 PHE A 57 -3.863 -0.635 -4.178 1.00 0.00 C ATOM 997 CE2 PHE A 57 -4.556 -0.427 -1.863 1.00 0.00 C ATOM 998 CZ PHE A 57 -4.726 -0.990 -3.133 1.00 0.00 C ATOM 0 H PHE A 57 -0.788 4.376 -2.275 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.205 2.391 -4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.591 1.302 -2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.696 2.339 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.165 0.554 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.392 0.926 -0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.995 -1.068 -5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.222 -0.700 -1.058 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.523 -1.698 -3.307 1.00 0.00 H new ATOM 1008 N GLU A 58 -3.445 3.264 -4.946 1.00 0.00 N ATOM 1009 CA GLU A 58 -4.786 3.846 -5.216 1.00 0.00 C ATOM 1010 C GLU A 58 -5.731 2.733 -5.674 1.00 0.00 C ATOM 1011 O GLU A 58 -5.303 1.734 -6.216 1.00 0.00 O ATOM 1012 CB GLU A 58 -4.565 4.880 -6.329 1.00 0.00 C ATOM 1013 CG GLU A 58 -4.212 4.175 -7.645 1.00 0.00 C ATOM 1014 CD GLU A 58 -5.464 4.079 -8.523 1.00 0.00 C ATOM 1015 OE1 GLU A 58 -6.301 3.240 -8.236 1.00 0.00 O ATOM 1016 OE2 GLU A 58 -5.564 4.848 -9.464 1.00 0.00 O ATOM 0 H GLU A 58 -3.053 2.702 -5.702 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.233 4.310 -4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.464 5.482 -6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.763 5.563 -6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.430 4.726 -8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.819 3.179 -7.443 1.00 0.00 H new ATOM 1023 N ILE A 59 -7.005 2.885 -5.463 1.00 0.00 N ATOM 1024 CA ILE A 59 -7.947 1.814 -5.897 1.00 0.00 C ATOM 1025 C ILE A 59 -9.151 2.420 -6.610 1.00 0.00 C ATOM 1026 O ILE A 59 -9.716 3.409 -6.183 1.00 0.00 O ATOM 1027 CB ILE A 59 -8.380 1.101 -4.617 1.00 0.00 C ATOM 1028 CG1 ILE A 59 -7.138 0.730 -3.791 1.00 0.00 C ATOM 1029 CG2 ILE A 59 -9.152 -0.167 -4.980 1.00 0.00 C ATOM 1030 CD1 ILE A 59 -7.550 -0.070 -2.552 1.00 0.00 C ATOM 0 H ILE A 59 -7.434 3.694 -5.014 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.478 1.125 -6.599 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.020 1.760 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.449 0.144 -4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.608 1.634 -3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.462 -0.678 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.033 0.098 -5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.513 -0.827 -5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.663 -0.328 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.221 0.530 -1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.060 -0.983 -2.861 1.00 0.00 H new ATOM 1042 N SER A 60 -9.537 1.831 -7.699 1.00 0.00 N ATOM 1043 CA SER A 60 -10.704 2.365 -8.469 1.00 0.00 C ATOM 1044 C SER A 60 -11.454 1.244 -9.212 1.00 0.00 C ATOM 1045 O SER A 60 -12.402 1.497 -9.927 1.00 0.00 O ATOM 1046 CB SER A 60 -10.093 3.351 -9.465 1.00 0.00 C ATOM 1047 OG SER A 60 -8.984 4.004 -8.858 1.00 0.00 O ATOM 0 H SER A 60 -9.099 1.000 -8.097 1.00 0.00 H new ATOM 0 HA SER A 60 -11.438 2.831 -7.812 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.773 2.826 -10.365 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.838 4.085 -9.772 1.00 0.00 H new ATOM 0 HG SER A 60 -8.184 3.445 -8.951 1.00 0.00 H new ATOM 1053 N SER A 61 -11.046 0.011 -9.053 1.00 0.00 N ATOM 1054 CA SER A 61 -11.746 -1.108 -9.753 1.00 0.00 C ATOM 1055 C SER A 61 -12.052 -2.257 -8.783 1.00 0.00 C ATOM 1056 O SER A 61 -12.644 -3.249 -9.160 1.00 0.00 O ATOM 1057 CB SER A 61 -10.763 -1.585 -10.805 1.00 0.00 C ATOM 1058 OG SER A 61 -11.446 -1.769 -12.036 1.00 0.00 O ATOM 0 H SER A 61 -10.258 -0.269 -8.469 1.00 0.00 H new ATOM 0 HA SER A 61 -12.697 -0.782 -10.175 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.961 -0.857 -10.926 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.300 -2.520 -10.489 1.00 0.00 H new ATOM 0 HG SER A 61 -10.813 -2.076 -12.719 1.00 0.00 H new ATOM 1064 N VAL A 62 -11.627 -2.135 -7.551 1.00 0.00 N ATOM 1065 CA VAL A 62 -11.853 -3.207 -6.533 1.00 0.00 C ATOM 1066 C VAL A 62 -13.232 -3.867 -6.679 1.00 0.00 C ATOM 1067 O VAL A 62 -14.173 -3.268 -7.163 1.00 0.00 O ATOM 1068 CB VAL A 62 -11.743 -2.479 -5.196 1.00 0.00 C ATOM 1069 CG1 VAL A 62 -12.908 -1.500 -5.039 1.00 0.00 C ATOM 1070 CG2 VAL A 62 -11.776 -3.502 -4.064 1.00 0.00 C ATOM 0 H VAL A 62 -11.122 -1.321 -7.201 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.135 -4.020 -6.640 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.806 -1.923 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.823 -0.984 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.882 -0.771 -5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.850 -2.047 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.698 -2.988 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.713 -4.057 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.940 -4.193 -4.174 1.00 0.00 H new ATOM 1080 N GLN A 63 -13.349 -5.100 -6.264 1.00 0.00 N ATOM 1081 CA GLN A 63 -14.653 -5.811 -6.374 1.00 0.00 C ATOM 1082 C GLN A 63 -15.116 -6.282 -4.992 1.00 0.00 C ATOM 1083 O GLN A 63 -16.054 -5.755 -4.427 1.00 0.00 O ATOM 1084 CB GLN A 63 -14.370 -7.009 -7.279 1.00 0.00 C ATOM 1085 CG GLN A 63 -14.730 -6.657 -8.723 1.00 0.00 C ATOM 1086 CD GLN A 63 -16.138 -7.165 -9.037 1.00 0.00 C ATOM 1087 OE1 GLN A 63 -16.631 -8.066 -8.387 1.00 0.00 O ATOM 1088 NE2 GLN A 63 -16.810 -6.623 -10.015 1.00 0.00 N ATOM 0 H GLN A 63 -12.593 -5.647 -5.852 1.00 0.00 H new ATOM 0 HA GLN A 63 -15.441 -5.173 -6.773 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.318 -7.287 -7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.949 -7.872 -6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.681 -5.578 -8.868 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.010 -7.104 -9.408 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.396 -5.867 -10.560 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.749 -6.955 -10.234 1.00 0.00 H new ATOM 1097 N ALA A 64 -14.467 -7.274 -4.442 1.00 0.00 N ATOM 1098 CA ALA A 64 -14.874 -7.776 -3.097 1.00 0.00 C ATOM 1099 C ALA A 64 -13.667 -8.351 -2.349 1.00 0.00 C ATOM 1100 O ALA A 64 -13.812 -9.099 -1.403 1.00 0.00 O ATOM 1101 CB ALA A 64 -15.900 -8.873 -3.380 1.00 0.00 C ATOM 0 H ALA A 64 -13.675 -7.757 -4.865 1.00 0.00 H new ATOM 0 HA ALA A 64 -15.282 -6.983 -2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.250 -9.295 -2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -16.744 -8.450 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.438 -9.657 -3.980 1.00 0.00 H new ATOM 1107 N SER A 65 -12.476 -8.010 -2.761 1.00 0.00 N ATOM 1108 CA SER A 65 -11.268 -8.541 -2.063 1.00 0.00 C ATOM 1109 C SER A 65 -10.755 -7.533 -1.028 1.00 0.00 C ATOM 1110 O SER A 65 -9.917 -7.846 -0.206 1.00 0.00 O ATOM 1111 CB SER A 65 -10.234 -8.753 -3.174 1.00 0.00 C ATOM 1112 OG SER A 65 -8.925 -8.557 -2.651 1.00 0.00 O ATOM 0 H SER A 65 -12.287 -7.389 -3.548 1.00 0.00 H new ATOM 0 HA SER A 65 -11.479 -9.461 -1.519 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.326 -9.759 -3.583 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.417 -8.057 -3.993 1.00 0.00 H new ATOM 0 HG SER A 65 -8.751 -7.597 -2.557 1.00 0.00 H new ATOM 1118 N ASP A 66 -11.244 -6.324 -1.066 1.00 0.00 N ATOM 1119 CA ASP A 66 -10.783 -5.291 -0.093 1.00 0.00 C ATOM 1120 C ASP A 66 -11.939 -4.859 0.788 1.00 0.00 C ATOM 1121 O ASP A 66 -12.057 -3.708 1.157 1.00 0.00 O ATOM 1122 CB ASP A 66 -10.337 -4.110 -0.949 1.00 0.00 C ATOM 1123 CG ASP A 66 -9.757 -3.012 -0.058 1.00 0.00 C ATOM 1124 OD1 ASP A 66 -9.457 -3.301 1.089 1.00 0.00 O ATOM 1125 OD2 ASP A 66 -9.618 -1.901 -0.540 1.00 0.00 O ATOM 0 H ASP A 66 -11.947 -6.005 -1.733 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.988 -5.665 0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.590 -4.436 -1.673 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.182 -3.721 -1.517 1.00 0.00 H new ATOM 1130 N GLU A 67 -12.810 -5.762 1.108 1.00 0.00 N ATOM 1131 CA GLU A 67 -13.980 -5.384 1.940 1.00 0.00 C ATOM 1132 C GLU A 67 -13.611 -5.222 3.421 1.00 0.00 C ATOM 1133 O GLU A 67 -14.469 -5.030 4.260 1.00 0.00 O ATOM 1134 CB GLU A 67 -14.982 -6.524 1.756 1.00 0.00 C ATOM 1135 CG GLU A 67 -14.423 -7.809 2.377 1.00 0.00 C ATOM 1136 CD GLU A 67 -15.307 -9.000 1.995 1.00 0.00 C ATOM 1137 OE1 GLU A 67 -16.322 -8.781 1.353 1.00 0.00 O ATOM 1138 OE2 GLU A 67 -14.953 -10.112 2.351 1.00 0.00 O ATOM 0 H GLU A 67 -12.766 -6.743 0.832 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.383 -4.419 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.932 -6.265 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.181 -6.678 0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.403 -7.976 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.380 -7.710 3.462 1.00 0.00 H new ATOM 1145 N GLY A 68 -12.356 -5.290 3.756 1.00 0.00 N ATOM 1146 CA GLY A 68 -11.958 -5.135 5.179 1.00 0.00 C ATOM 1147 C GLY A 68 -10.681 -4.299 5.262 1.00 0.00 C ATOM 1148 O GLY A 68 -10.619 -3.187 4.779 1.00 0.00 O ATOM 0 H GLY A 68 -11.587 -5.447 3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.758 -4.653 5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.795 -6.113 5.631 1.00 0.00 H new ATOM 1152 N ASN A 69 -9.672 -4.820 5.897 1.00 0.00 N ATOM 1153 CA ASN A 69 -8.405 -4.061 6.047 1.00 0.00 C ATOM 1154 C ASN A 69 -7.375 -4.425 4.964 1.00 0.00 C ATOM 1155 O ASN A 69 -7.448 -5.467 4.350 1.00 0.00 O ATOM 1156 CB ASN A 69 -7.870 -4.470 7.415 1.00 0.00 C ATOM 1157 CG ASN A 69 -8.940 -4.257 8.489 1.00 0.00 C ATOM 1158 OD1 ASN A 69 -10.042 -3.841 8.193 1.00 0.00 O ATOM 1159 ND2 ASN A 69 -8.657 -4.524 9.735 1.00 0.00 N ATOM 0 H ASN A 69 -9.672 -5.747 6.322 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.581 -2.990 5.950 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.567 -5.517 7.396 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.982 -3.885 7.656 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.361 -4.383 10.459 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.732 -4.873 9.984 1.00 0.00 H new ATOM 1166 N TYR A 70 -6.404 -3.561 4.768 1.00 0.00 N ATOM 1167 CA TYR A 70 -5.304 -3.788 3.771 1.00 0.00 C ATOM 1168 C TYR A 70 -3.997 -3.253 4.390 1.00 0.00 C ATOM 1169 O TYR A 70 -4.046 -2.450 5.298 1.00 0.00 O ATOM 1170 CB TYR A 70 -5.691 -2.927 2.557 1.00 0.00 C ATOM 1171 CG TYR A 70 -6.303 -3.741 1.421 1.00 0.00 C ATOM 1172 CD1 TYR A 70 -6.652 -5.096 1.574 1.00 0.00 C ATOM 1173 CD2 TYR A 70 -6.530 -3.105 0.194 1.00 0.00 C ATOM 1174 CE1 TYR A 70 -7.217 -5.799 0.503 1.00 0.00 C ATOM 1175 CE2 TYR A 70 -7.096 -3.811 -0.874 1.00 0.00 C ATOM 1176 CZ TYR A 70 -7.439 -5.159 -0.719 1.00 0.00 C ATOM 1177 OH TYR A 70 -7.987 -5.859 -1.775 1.00 0.00 O ATOM 0 H TYR A 70 -6.327 -2.679 5.275 1.00 0.00 H new ATOM 0 HA TYR A 70 -5.169 -4.835 3.498 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.401 -2.162 2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.806 -2.408 2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -6.484 -5.594 2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.267 -2.065 0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.482 -6.839 0.622 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.268 -3.315 -1.818 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.270 -6.265 -2.306 1.00 0.00 H new ATOM 1187 N SER A 71 -2.827 -3.658 3.943 1.00 0.00 N ATOM 1188 CA SER A 71 -1.597 -3.087 4.583 1.00 0.00 C ATOM 1189 C SER A 71 -0.422 -3.026 3.612 1.00 0.00 C ATOM 1190 O SER A 71 -0.536 -3.358 2.451 1.00 0.00 O ATOM 1191 CB SER A 71 -1.253 -3.994 5.765 1.00 0.00 C ATOM 1192 OG SER A 71 -2.058 -5.166 5.737 1.00 0.00 O ATOM 0 H SER A 71 -2.674 -4.332 3.193 1.00 0.00 H new ATOM 0 HA SER A 71 -1.789 -2.062 4.901 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.199 -4.268 5.728 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.410 -3.458 6.701 1.00 0.00 H new ATOM 0 HG SER A 71 -1.693 -5.798 5.083 1.00 0.00 H new ATOM 1198 N VAL A 72 0.709 -2.593 4.099 1.00 0.00 N ATOM 1199 CA VAL A 72 1.927 -2.495 3.238 1.00 0.00 C ATOM 1200 C VAL A 72 3.147 -2.952 4.028 1.00 0.00 C ATOM 1201 O VAL A 72 3.147 -2.938 5.235 1.00 0.00 O ATOM 1202 CB VAL A 72 2.040 -1.014 2.860 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.030 -0.175 4.125 1.00 0.00 C ATOM 1204 CG2 VAL A 72 3.342 -0.741 2.090 1.00 0.00 C ATOM 0 H VAL A 72 0.844 -2.299 5.066 1.00 0.00 H new ATOM 0 HA VAL A 72 1.865 -3.124 2.350 1.00 0.00 H new ATOM 0 HB VAL A 72 1.195 -0.754 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.110 0.880 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.099 -0.344 4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.873 -0.457 4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.398 0.317 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.196 -1.009 2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.357 -1.337 1.177 1.00 0.00 H new ATOM 1214 N VAL A 73 4.183 -3.349 3.355 1.00 0.00 N ATOM 1215 CA VAL A 73 5.412 -3.804 4.063 1.00 0.00 C ATOM 1216 C VAL A 73 6.631 -3.291 3.308 1.00 0.00 C ATOM 1217 O VAL A 73 6.992 -3.791 2.260 1.00 0.00 O ATOM 1218 CB VAL A 73 5.370 -5.336 4.056 1.00 0.00 C ATOM 1219 CG1 VAL A 73 4.293 -5.824 5.026 1.00 0.00 C ATOM 1220 CG2 VAL A 73 5.053 -5.841 2.651 1.00 0.00 C ATOM 0 H VAL A 73 4.235 -3.380 2.337 1.00 0.00 H new ATOM 0 HA VAL A 73 5.467 -3.430 5.085 1.00 0.00 H new ATOM 0 HB VAL A 73 6.342 -5.720 4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.264 -6.914 5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.523 -5.473 6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.323 -5.434 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.025 -6.931 2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.084 -5.454 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.823 -5.500 1.959 1.00 0.00 H new ATOM 1230 N VAL A 74 7.247 -2.276 3.822 1.00 0.00 N ATOM 1231 CA VAL A 74 8.426 -1.693 3.139 1.00 0.00 C ATOM 1232 C VAL A 74 9.722 -2.325 3.681 1.00 0.00 C ATOM 1233 O VAL A 74 10.043 -2.208 4.845 1.00 0.00 O ATOM 1234 CB VAL A 74 8.289 -0.182 3.440 1.00 0.00 C ATOM 1235 CG1 VAL A 74 9.443 0.345 4.309 1.00 0.00 C ATOM 1236 CG2 VAL A 74 8.246 0.586 2.118 1.00 0.00 C ATOM 0 H VAL A 74 6.983 -1.819 4.695 1.00 0.00 H new ATOM 0 HA VAL A 74 8.472 -1.878 2.066 1.00 0.00 H new ATOM 0 HB VAL A 74 7.367 -0.032 4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.303 1.410 4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.456 -0.189 5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.389 0.188 3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.149 1.653 2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.165 0.404 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.393 0.249 1.529 1.00 0.00 H new ATOM 1246 N GLU A 75 10.465 -2.993 2.841 1.00 0.00 N ATOM 1247 CA GLU A 75 11.733 -3.630 3.307 1.00 0.00 C ATOM 1248 C GLU A 75 12.912 -3.122 2.477 1.00 0.00 C ATOM 1249 O GLU A 75 12.732 -2.544 1.426 1.00 0.00 O ATOM 1250 CB GLU A 75 11.529 -5.129 3.086 1.00 0.00 C ATOM 1251 CG GLU A 75 10.254 -5.584 3.797 1.00 0.00 C ATOM 1252 CD GLU A 75 9.294 -6.203 2.780 1.00 0.00 C ATOM 1253 OE1 GLU A 75 8.730 -5.458 1.996 1.00 0.00 O ATOM 1254 OE2 GLU A 75 9.138 -7.413 2.804 1.00 0.00 O ATOM 0 H GLU A 75 10.250 -3.126 1.853 1.00 0.00 H new ATOM 0 HA GLU A 75 11.953 -3.399 4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.459 -5.343 2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.387 -5.683 3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.497 -6.311 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.779 -4.737 4.292 1.00 0.00 H new ATOM 1261 N ASN A 76 14.119 -3.334 2.930 1.00 0.00 N ATOM 1262 CA ASN A 76 15.291 -2.851 2.138 1.00 0.00 C ATOM 1263 C ASN A 76 16.569 -3.597 2.527 1.00 0.00 C ATOM 1264 O ASN A 76 16.537 -4.644 3.142 1.00 0.00 O ATOM 1265 CB ASN A 76 15.364 -1.330 2.426 1.00 0.00 C ATOM 1266 CG ASN A 76 16.530 -0.929 3.345 1.00 0.00 C ATOM 1267 OD1 ASN A 76 16.527 -1.224 4.520 1.00 0.00 O ATOM 1268 ND2 ASN A 76 17.527 -0.251 2.845 1.00 0.00 N ATOM 0 H ASN A 76 14.344 -3.814 3.802 1.00 0.00 H new ATOM 0 HA ASN A 76 15.183 -3.039 1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.457 -0.795 1.481 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.427 -1.010 2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.304 0.030 3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.530 -0.003 1.856 1.00 0.00 H new ATOM 1275 N SER A 77 17.686 -3.041 2.154 1.00 0.00 N ATOM 1276 CA SER A 77 19.015 -3.659 2.460 1.00 0.00 C ATOM 1277 C SER A 77 19.053 -4.288 3.853 1.00 0.00 C ATOM 1278 O SER A 77 19.795 -5.218 4.097 1.00 0.00 O ATOM 1279 CB SER A 77 20.010 -2.500 2.367 1.00 0.00 C ATOM 1280 OG SER A 77 20.212 -1.930 3.657 1.00 0.00 O ATOM 0 H SER A 77 17.739 -2.163 1.637 1.00 0.00 H new ATOM 0 HA SER A 77 19.242 -4.471 1.769 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.959 -2.855 1.964 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.635 -1.742 1.679 1.00 0.00 H new ATOM 0 HG SER A 77 20.002 -0.973 3.628 1.00 0.00 H new ATOM 1286 N GLU A 78 18.274 -3.792 4.771 1.00 0.00 N ATOM 1287 CA GLU A 78 18.302 -4.389 6.145 1.00 0.00 C ATOM 1288 C GLU A 78 17.236 -3.785 7.069 1.00 0.00 C ATOM 1289 O GLU A 78 17.331 -3.887 8.276 1.00 0.00 O ATOM 1290 CB GLU A 78 19.701 -4.084 6.685 1.00 0.00 C ATOM 1291 CG GLU A 78 19.973 -2.579 6.614 1.00 0.00 C ATOM 1292 CD GLU A 78 21.457 -2.344 6.330 1.00 0.00 C ATOM 1293 OE1 GLU A 78 21.998 -3.051 5.495 1.00 0.00 O ATOM 1294 OE2 GLU A 78 22.024 -1.461 6.948 1.00 0.00 O ATOM 0 H GLU A 78 17.628 -3.013 4.640 1.00 0.00 H new ATOM 0 HA GLU A 78 18.086 -5.457 6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 78 19.785 -4.429 7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.449 -4.625 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.365 -2.125 5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.691 -2.103 7.553 1.00 0.00 H new ATOM 1301 N GLY A 79 16.224 -3.175 6.528 1.00 0.00 N ATOM 1302 CA GLY A 79 15.164 -2.595 7.391 1.00 0.00 C ATOM 1303 C GLY A 79 13.818 -3.165 6.963 1.00 0.00 C ATOM 1304 O GLY A 79 13.387 -2.975 5.845 1.00 0.00 O ATOM 0 H GLY A 79 16.085 -3.053 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.358 -2.830 8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.159 -1.508 7.304 1.00 0.00 H new ATOM 1308 N LYS A 80 13.154 -3.874 7.829 1.00 0.00 N ATOM 1309 CA LYS A 80 11.844 -4.462 7.442 1.00 0.00 C ATOM 1310 C LYS A 80 10.708 -3.837 8.257 1.00 0.00 C ATOM 1311 O LYS A 80 10.306 -4.354 9.281 1.00 0.00 O ATOM 1312 CB LYS A 80 11.978 -5.953 7.756 1.00 0.00 C ATOM 1313 CG LYS A 80 12.649 -6.672 6.580 1.00 0.00 C ATOM 1314 CD LYS A 80 13.991 -6.008 6.264 1.00 0.00 C ATOM 1315 CE LYS A 80 14.927 -7.027 5.607 1.00 0.00 C ATOM 1316 NZ LYS A 80 15.621 -7.697 6.741 1.00 0.00 N ATOM 0 H LYS A 80 13.459 -4.071 8.782 1.00 0.00 H new ATOM 0 HA LYS A 80 11.606 -4.282 6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.567 -6.092 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.995 -6.384 7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.802 -7.723 6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.001 -6.639 5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.840 -5.157 5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.441 -5.622 7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.370 -7.745 5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.639 -6.538 4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.281 -8.411 6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.149 -6.990 7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.919 -8.159 7.353 1.00 0.00 H new ATOM 1330 N GLN A 81 10.175 -2.738 7.799 1.00 0.00 N ATOM 1331 CA GLN A 81 9.051 -2.089 8.534 1.00 0.00 C ATOM 1332 C GLN A 81 7.795 -2.103 7.661 1.00 0.00 C ATOM 1333 O GLN A 81 7.838 -2.487 6.511 1.00 0.00 O ATOM 1334 CB GLN A 81 9.507 -0.655 8.801 1.00 0.00 C ATOM 1335 CG GLN A 81 8.518 0.012 9.759 1.00 0.00 C ATOM 1336 CD GLN A 81 9.142 1.276 10.348 1.00 0.00 C ATOM 1337 OE1 GLN A 81 10.333 1.328 10.585 1.00 0.00 O ATOM 1338 NE2 GLN A 81 8.381 2.306 10.596 1.00 0.00 N ATOM 0 H GLN A 81 10.469 -2.260 6.947 1.00 0.00 H new ATOM 0 HA GLN A 81 8.810 -2.605 9.463 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.508 -0.652 9.232 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.561 -0.097 7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.598 0.262 9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.249 -0.679 10.558 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.382 2.261 10.397 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.785 3.156 10.989 1.00 0.00 H new ATOM 1347 N GLU A 82 6.673 -1.707 8.197 1.00 0.00 N ATOM 1348 CA GLU A 82 5.418 -1.722 7.386 1.00 0.00 C ATOM 1349 C GLU A 82 4.442 -0.641 7.860 1.00 0.00 C ATOM 1350 O GLU A 82 4.775 0.220 8.650 1.00 0.00 O ATOM 1351 CB GLU A 82 4.819 -3.116 7.615 1.00 0.00 C ATOM 1352 CG GLU A 82 4.774 -3.435 9.114 1.00 0.00 C ATOM 1353 CD GLU A 82 3.627 -4.408 9.395 1.00 0.00 C ATOM 1354 OE1 GLU A 82 2.633 -4.340 8.690 1.00 0.00 O ATOM 1355 OE2 GLU A 82 3.761 -5.205 10.309 1.00 0.00 O ATOM 0 H GLU A 82 6.569 -1.375 9.156 1.00 0.00 H new ATOM 0 HA GLU A 82 5.615 -1.519 6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.814 -3.161 7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.415 -3.866 7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.721 -3.871 9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.636 -2.518 9.688 1.00 0.00 H new ATOM 1362 N ALA A 83 3.233 -0.699 7.377 1.00 0.00 N ATOM 1363 CA ALA A 83 2.199 0.295 7.775 1.00 0.00 C ATOM 1364 C ALA A 83 0.826 -0.365 7.667 1.00 0.00 C ATOM 1365 O ALA A 83 0.677 -1.376 7.008 1.00 0.00 O ATOM 1366 CB ALA A 83 2.333 1.438 6.767 1.00 0.00 C ATOM 0 H ALA A 83 2.913 -1.404 6.713 1.00 0.00 H new ATOM 0 HA ALA A 83 2.319 0.656 8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.601 2.212 6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.337 1.859 6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.157 1.058 5.761 1.00 0.00 H new ATOM 1372 N GLU A 84 -0.178 0.173 8.304 1.00 0.00 N ATOM 1373 CA GLU A 84 -1.515 -0.476 8.213 1.00 0.00 C ATOM 1374 C GLU A 84 -2.627 0.545 7.946 1.00 0.00 C ATOM 1375 O GLU A 84 -2.567 1.687 8.358 1.00 0.00 O ATOM 1376 CB GLU A 84 -1.722 -1.146 9.572 1.00 0.00 C ATOM 1377 CG GLU A 84 -1.166 -2.572 9.531 1.00 0.00 C ATOM 1378 CD GLU A 84 -2.227 -3.521 8.969 1.00 0.00 C ATOM 1379 OE1 GLU A 84 -3.388 -3.147 8.963 1.00 0.00 O ATOM 1380 OE2 GLU A 84 -1.859 -4.607 8.549 1.00 0.00 O ATOM 0 H GLU A 84 -0.133 1.018 8.873 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.555 -1.184 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.222 -0.572 10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.783 -1.165 9.821 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.269 -2.606 8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.875 -2.888 10.533 1.00 0.00 H new ATOM 1387 N PHE A 85 -3.643 0.113 7.257 1.00 0.00 N ATOM 1388 CA PHE A 85 -4.804 0.993 6.928 1.00 0.00 C ATOM 1389 C PHE A 85 -5.917 0.097 6.411 1.00 0.00 C ATOM 1390 O PHE A 85 -5.670 -0.783 5.622 1.00 0.00 O ATOM 1391 CB PHE A 85 -4.319 1.916 5.815 1.00 0.00 C ATOM 1392 CG PHE A 85 -3.776 1.078 4.681 1.00 0.00 C ATOM 1393 CD1 PHE A 85 -2.429 0.704 4.669 1.00 0.00 C ATOM 1394 CD2 PHE A 85 -4.624 0.660 3.649 1.00 0.00 C ATOM 1395 CE1 PHE A 85 -1.931 -0.087 3.628 1.00 0.00 C ATOM 1396 CE2 PHE A 85 -4.122 -0.130 2.607 1.00 0.00 C ATOM 1397 CZ PHE A 85 -2.778 -0.503 2.599 1.00 0.00 C ATOM 0 H PHE A 85 -3.722 -0.838 6.897 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.168 1.568 7.780 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.138 2.542 5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.546 2.586 6.192 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.772 1.026 5.464 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.665 0.947 3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.890 -0.376 3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.776 -0.450 1.809 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.392 -1.114 1.796 1.00 0.00 H new ATOM 1407 N THR A 86 -7.128 0.276 6.841 1.00 0.00 N ATOM 1408 CA THR A 86 -8.192 -0.641 6.334 1.00 0.00 C ATOM 1409 C THR A 86 -9.048 0.019 5.260 1.00 0.00 C ATOM 1410 O THR A 86 -9.680 1.030 5.477 1.00 0.00 O ATOM 1411 CB THR A 86 -9.044 -1.048 7.542 1.00 0.00 C ATOM 1412 OG1 THR A 86 -9.851 0.051 7.940 1.00 0.00 O ATOM 1413 CG2 THR A 86 -8.140 -1.470 8.702 1.00 0.00 C ATOM 0 H THR A 86 -7.428 0.993 7.502 1.00 0.00 H new ATOM 0 HA THR A 86 -7.740 -1.514 5.862 1.00 0.00 H new ATOM 0 HB THR A 86 -9.681 -1.889 7.266 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.826 0.743 7.247 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.754 -1.757 9.556 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.526 -2.317 8.395 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.495 -0.637 8.983 1.00 0.00 H new ATOM 1421 N LEU A 87 -9.071 -0.575 4.100 1.00 0.00 N ATOM 1422 CA LEU A 87 -9.885 -0.033 2.977 1.00 0.00 C ATOM 1423 C LEU A 87 -11.084 -0.944 2.750 1.00 0.00 C ATOM 1424 O LEU A 87 -10.941 -2.141 2.615 1.00 0.00 O ATOM 1425 CB LEU A 87 -8.952 -0.090 1.759 1.00 0.00 C ATOM 1426 CG LEU A 87 -8.138 1.212 1.559 1.00 0.00 C ATOM 1427 CD1 LEU A 87 -8.114 2.086 2.819 1.00 0.00 C ATOM 1428 CD2 LEU A 87 -6.706 0.830 1.195 1.00 0.00 C ATOM 0 H LEU A 87 -8.553 -1.425 3.880 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.255 0.975 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.264 -0.928 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.543 -0.283 0.864 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.614 1.791 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.531 2.986 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.133 2.364 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.661 1.529 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.114 1.734 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.272 0.238 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.708 0.245 0.275 1.00 0.00 H new ATOM 1440 N THR A 88 -12.263 -0.399 2.710 1.00 0.00 N ATOM 1441 CA THR A 88 -13.454 -1.267 2.492 1.00 0.00 C ATOM 1442 C THR A 88 -14.151 -0.908 1.187 1.00 0.00 C ATOM 1443 O THR A 88 -13.977 0.166 0.645 1.00 0.00 O ATOM 1444 CB THR A 88 -14.379 -1.047 3.695 1.00 0.00 C ATOM 1445 OG1 THR A 88 -13.856 -0.031 4.544 1.00 0.00 O ATOM 1446 CG2 THR A 88 -14.493 -2.361 4.472 1.00 0.00 C ATOM 0 H THR A 88 -12.456 0.597 2.817 1.00 0.00 H new ATOM 0 HA THR A 88 -13.169 -2.316 2.412 1.00 0.00 H new ATOM 0 HB THR A 88 -15.362 -0.731 3.345 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.519 0.684 4.645 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.148 -2.220 5.331 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.907 -3.133 3.823 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.505 -2.667 4.816 1.00 0.00 H new ATOM 1454 N ILE A 89 -14.921 -1.819 0.667 1.00 0.00 N ATOM 1455 CA ILE A 89 -15.607 -1.562 -0.626 1.00 0.00 C ATOM 1456 C ILE A 89 -17.020 -2.158 -0.632 1.00 0.00 C ATOM 1457 O ILE A 89 -17.368 -2.960 -1.475 1.00 0.00 O ATOM 1458 CB ILE A 89 -14.701 -2.213 -1.683 1.00 0.00 C ATOM 1459 CG1 ILE A 89 -14.174 -3.579 -1.207 1.00 0.00 C ATOM 1460 CG2 ILE A 89 -13.502 -1.296 -1.904 1.00 0.00 C ATOM 1461 CD1 ILE A 89 -15.327 -4.552 -1.002 1.00 0.00 C ATOM 0 H ILE A 89 -15.105 -2.732 1.082 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.747 -0.498 -0.819 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.278 -2.360 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -13.476 -3.982 -1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -13.622 -3.458 -0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.841 -1.735 -2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.848 -0.323 -2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.959 -1.174 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.937 -5.513 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -16.010 -4.154 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -15.861 -4.687 -1.943 1.00 0.00 H new ATOM 1473 N GLN A 90 -17.837 -1.744 0.303 1.00 0.00 N ATOM 1474 CA GLN A 90 -19.242 -2.242 0.391 1.00 0.00 C ATOM 1475 C GLN A 90 -19.874 -2.339 -0.996 1.00 0.00 C ATOM 1476 O GLN A 90 -19.998 -1.373 -1.708 1.00 0.00 O ATOM 1477 CB GLN A 90 -19.979 -1.195 1.224 1.00 0.00 C ATOM 1478 CG GLN A 90 -19.443 -1.185 2.655 1.00 0.00 C ATOM 1479 CD GLN A 90 -19.560 -2.583 3.266 1.00 0.00 C ATOM 1480 OE1 GLN A 90 -20.609 -3.196 3.213 1.00 0.00 O ATOM 1481 NE2 GLN A 90 -18.521 -3.116 3.847 1.00 0.00 N ATOM 0 H GLN A 90 -17.583 -1.068 1.023 1.00 0.00 H new ATOM 0 HA GLN A 90 -19.289 -3.238 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -19.855 -0.210 0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -21.047 -1.411 1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -18.402 -0.863 2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -20.002 -0.468 3.257 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -17.641 -2.601 3.891 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -18.588 -4.047 4.257 1.00 0.00 H new ATOM 1490 N LYS A 91 -20.268 -3.504 -1.382 1.00 0.00 N ATOM 1491 CA LYS A 91 -20.890 -3.686 -2.731 1.00 0.00 C ATOM 1492 C LYS A 91 -19.863 -3.417 -3.832 1.00 0.00 C ATOM 1493 O LYS A 91 -20.275 -3.095 -4.935 1.00 0.00 O ATOM 1494 CB LYS A 91 -22.034 -2.681 -2.813 1.00 0.00 C ATOM 1495 CG LYS A 91 -23.314 -3.395 -3.252 1.00 0.00 C ATOM 1496 CD LYS A 91 -23.088 -4.056 -4.614 1.00 0.00 C ATOM 1497 CE LYS A 91 -24.395 -4.683 -5.101 1.00 0.00 C ATOM 1498 NZ LYS A 91 -24.863 -3.794 -6.199 1.00 0.00 N ATOM 1499 OXT LYS A 91 -18.681 -3.538 -3.555 1.00 0.00 O ATOM 0 H LYS A 91 -20.191 -4.355 -0.825 1.00 0.00 H new ATOM 0 HA LYS A 91 -21.249 -4.706 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -22.185 -2.206 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -21.786 -1.890 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -23.596 -4.146 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -24.137 -2.683 -3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -22.736 -3.318 -5.334 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -22.314 -4.819 -4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -24.236 -5.701 -5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -25.130 -4.738 -4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -25.757 -4.160 -6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -25.013 -2.834 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -24.147 -3.766 -6.952 1.00 0.00 H new TER 1513 LYS A 91