USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 728 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 75 SER OG : rot 69:sc= 1.26 USER MOD Set 1.2: A 80 ASN : amide:sc= -1.69! K(o=-0.43!,f=1.1) USER MOD Set 2.1: A 38 ASN : amide:sc= 1.9 K(o=3.2,f=-0.77) USER MOD Set 2.2: A 40 TYR OH : rot 52:sc= 1.28 USER MOD Set 3.1: A 13 ASN : amide:sc= 0.701 K(o=1.5,f=-2) USER MOD Set 3.2: A 18 THR OG1 : rot -32:sc= 0.784 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.399 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.1 USER MOD Single : A 25 GLN : amide:sc= 0.0192 X(o=0.019,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.612 K(o=-0.61,f=-2.7) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 79:sc= 0.447 USER MOD Single : A 60 SER OG : rot -20:sc= 1.21 USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= 0.562 (180deg=-0.0224) USER MOD Single : A 65 MET CE :methyl -115:sc= -0.423 (180deg=-4.18!) USER MOD Single : A 66 ASN : amide:sc= -1.55! K(o=-1.6!,f=-0.23) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -5.2! K(o=-5.2!,f=-1.2) USER MOD Single : A 72 SER OG : rot 75:sc= 0.575 USER MOD Single : A 76 ASN : amide:sc= -1.4! K(o=-1.4!,f=-0.031) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.6!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 170:sc=-0.00109 (180deg=-0.0781) USER MOD Single : A 97 GLN : amide:sc= 0.0608 X(o=0.061,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -8.157 -1.272 2.580 1.00 0.00 N ATOM 21 CA PHE A 2 -9.444 -1.922 2.762 1.00 0.00 C ATOM 22 C PHE A 2 -10.538 -0.867 2.848 1.00 0.00 C ATOM 23 O PHE A 2 -10.495 0.015 3.704 1.00 0.00 O ATOM 24 CB PHE A 2 -9.447 -2.771 4.038 1.00 0.00 C ATOM 25 CG PHE A 2 -8.330 -3.777 4.107 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.335 -4.898 3.293 1.00 0.00 C ATOM 27 CD2 PHE A 2 -7.272 -3.596 4.984 1.00 0.00 C ATOM 28 CE1 PHE A 2 -7.307 -5.820 3.352 1.00 0.00 C ATOM 29 CE2 PHE A 2 -6.240 -4.515 5.047 1.00 0.00 C ATOM 30 CZ PHE A 2 -6.258 -5.629 4.231 1.00 0.00 C ATOM 0 HA PHE A 2 -9.628 -2.576 1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -9.380 -2.110 4.902 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.400 -3.296 4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.152 -5.053 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.253 -2.727 5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.324 -6.689 2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.421 -4.361 5.734 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.454 -6.349 4.280 1.00 0.00 H new ATOM 40 N THR A 3 -11.503 -0.942 1.954 1.00 0.00 N ATOM 41 CA THR A 3 -12.599 0.011 1.940 1.00 0.00 C ATOM 42 C THR A 3 -13.935 -0.723 1.972 1.00 0.00 C ATOM 43 O THR A 3 -14.051 -1.834 1.451 1.00 0.00 O ATOM 44 CB THR A 3 -12.516 0.936 0.704 1.00 0.00 C ATOM 45 OG1 THR A 3 -13.636 1.826 0.647 1.00 0.00 O ATOM 46 CG2 THR A 3 -12.442 0.125 -0.578 1.00 0.00 C ATOM 0 H THR A 3 -11.552 -1.654 1.225 1.00 0.00 H new ATOM 0 HA THR A 3 -12.520 0.635 2.830 1.00 0.00 H new ATOM 0 HB THR A 3 -11.605 1.527 0.802 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.557 2.401 -0.143 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.384 0.799 -1.432 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.556 -0.510 -0.556 1.00 0.00 H new ATOM 0 HG23 THR A 3 -13.332 -0.498 -0.667 1.00 0.00 H new ATOM 54 N ALA A 4 -14.927 -0.116 2.605 1.00 0.00 N ATOM 55 CA ALA A 4 -16.242 -0.723 2.722 1.00 0.00 C ATOM 56 C ALA A 4 -17.295 0.125 2.027 1.00 0.00 C ATOM 57 O ALA A 4 -17.316 1.350 2.167 1.00 0.00 O ATOM 58 CB ALA A 4 -16.604 -0.930 4.183 1.00 0.00 C ATOM 0 H ALA A 4 -14.845 0.800 3.047 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.212 -1.696 2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.592 -1.385 4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.869 -1.585 4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.611 0.032 4.696 1.00 0.00 H new ATOM 64 N LYS A 5 -18.157 -0.534 1.272 1.00 0.00 N ATOM 65 CA LYS A 5 -19.207 0.138 0.529 1.00 0.00 C ATOM 66 C LYS A 5 -20.578 -0.350 0.984 1.00 0.00 C ATOM 67 O LYS A 5 -20.889 -1.537 0.871 1.00 0.00 O ATOM 68 CB LYS A 5 -19.021 -0.130 -0.967 1.00 0.00 C ATOM 69 CG LYS A 5 -20.107 0.454 -1.854 1.00 0.00 C ATOM 70 CD LYS A 5 -19.894 0.056 -3.305 1.00 0.00 C ATOM 71 CE LYS A 5 -20.973 0.623 -4.209 1.00 0.00 C ATOM 72 NZ LYS A 5 -20.779 0.222 -5.626 1.00 0.00 N ATOM 0 H LYS A 5 -18.148 -1.548 1.157 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.146 1.210 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.059 0.276 -1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -18.980 -1.207 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -21.084 0.106 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -20.108 1.541 -1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.918 0.408 -3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -19.886 -1.031 -3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -21.950 0.282 -3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -20.972 1.711 -4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -21.537 0.630 -6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.858 0.570 -5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -20.806 -0.815 -5.700 1.00 0.00 H new ATOM 86 N LEU A 6 -21.387 0.560 1.513 1.00 0.00 N ATOM 87 CA LEU A 6 -22.751 0.225 1.906 1.00 0.00 C ATOM 88 C LEU A 6 -23.566 -0.105 0.662 1.00 0.00 C ATOM 89 O LEU A 6 -23.546 0.647 -0.312 1.00 0.00 O ATOM 90 CB LEU A 6 -23.408 1.393 2.649 1.00 0.00 C ATOM 91 CG LEU A 6 -24.055 1.055 3.997 1.00 0.00 C ATOM 92 CD1 LEU A 6 -24.975 2.180 4.441 1.00 0.00 C ATOM 93 CD2 LEU A 6 -24.809 -0.266 3.939 1.00 0.00 C ATOM 0 H LEU A 6 -21.124 1.531 1.679 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.719 -0.636 2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.654 2.163 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -24.170 1.827 2.002 1.00 0.00 H new ATOM 0 HG LEU A 6 -23.257 0.946 4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -25.426 1.924 5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -24.400 3.100 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -25.759 2.324 3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.255 -0.474 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -25.595 -0.204 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -24.119 -1.068 3.678 1.00 0.00 H new ATOM 105 N ILE A 7 -24.267 -1.226 0.685 1.00 0.00 N ATOM 106 CA ILE A 7 -25.055 -1.639 -0.469 1.00 0.00 C ATOM 107 C ILE A 7 -26.533 -1.766 -0.117 1.00 0.00 C ATOM 108 O ILE A 7 -27.361 -2.078 -0.973 1.00 0.00 O ATOM 109 CB ILE A 7 -24.556 -2.983 -1.044 1.00 0.00 C ATOM 110 CG1 ILE A 7 -24.735 -4.108 -0.018 1.00 0.00 C ATOM 111 CG2 ILE A 7 -23.101 -2.860 -1.467 1.00 0.00 C ATOM 112 CD1 ILE A 7 -24.571 -5.496 -0.600 1.00 0.00 C ATOM 0 H ILE A 7 -24.308 -1.863 1.481 1.00 0.00 H new ATOM 0 HA ILE A 7 -24.933 -0.862 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 7 -25.151 -3.233 -1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -24.011 -3.973 0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.726 -4.026 0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.758 -3.812 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -23.008 -2.087 -2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.492 -2.592 -0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.712 -6.239 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -25.312 -5.652 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -23.571 -5.598 -1.021 1.00 0.00 H new ATOM 124 N LYS A 8 -26.864 -1.503 1.138 1.00 0.00 N ATOM 125 CA LYS A 8 -28.225 -1.697 1.616 1.00 0.00 C ATOM 126 C LYS A 8 -28.674 -0.513 2.467 1.00 0.00 C ATOM 127 O LYS A 8 -28.038 -0.181 3.467 1.00 0.00 O ATOM 128 CB LYS A 8 -28.299 -2.997 2.421 1.00 0.00 C ATOM 129 CG LYS A 8 -29.698 -3.370 2.887 1.00 0.00 C ATOM 130 CD LYS A 8 -29.686 -4.695 3.635 1.00 0.00 C ATOM 131 CE LYS A 8 -31.076 -5.093 4.098 1.00 0.00 C ATOM 132 NZ LYS A 8 -31.068 -6.397 4.812 1.00 0.00 N ATOM 0 H LYS A 8 -26.212 -1.156 1.842 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.896 -1.765 0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.904 -3.810 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -27.651 -2.907 3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -30.091 -2.586 3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -30.365 -3.439 2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -29.281 -5.474 2.989 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -29.023 -4.620 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -31.475 -4.321 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -31.742 -5.154 3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -32.035 -6.634 5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -30.711 -7.139 4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -30.452 -6.332 5.648 1.00 0.00 H new ATOM 146 N GLY A 9 -29.756 0.130 2.051 1.00 0.00 N ATOM 147 CA GLY A 9 -30.300 1.240 2.810 1.00 0.00 C ATOM 148 C GLY A 9 -29.909 2.583 2.231 1.00 0.00 C ATOM 149 O GLY A 9 -30.131 2.844 1.048 1.00 0.00 O ATOM 0 H GLY A 9 -30.269 -0.097 1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -31.387 1.161 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -29.952 1.177 3.841 1.00 0.00 H new ATOM 153 N LYS A 10 -29.311 3.426 3.059 1.00 0.00 N ATOM 154 CA LYS A 10 -28.887 4.751 2.641 1.00 0.00 C ATOM 155 C LYS A 10 -27.753 5.236 3.525 1.00 0.00 C ATOM 156 O LYS A 10 -26.720 5.662 3.031 1.00 0.00 O ATOM 157 CB LYS A 10 -30.034 5.766 2.702 1.00 0.00 C ATOM 158 CG LYS A 10 -29.579 7.179 2.356 1.00 0.00 C ATOM 159 CD LYS A 10 -30.631 8.227 2.674 1.00 0.00 C ATOM 160 CE LYS A 10 -31.839 8.116 1.764 1.00 0.00 C ATOM 161 NZ LYS A 10 -32.786 9.239 1.978 1.00 0.00 N ATOM 0 H LYS A 10 -29.107 3.211 4.035 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.554 4.672 1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -30.822 5.462 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -30.467 5.761 3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -28.666 7.408 2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -29.332 7.228 1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -30.948 8.119 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -30.194 9.221 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -31.513 8.107 0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -32.348 7.170 1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -33.601 9.133 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -33.115 9.232 2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -32.306 10.140 1.780 1.00 0.00 H new ATOM 175 N THR A 11 -27.954 5.188 4.832 1.00 0.00 N ATOM 176 CA THR A 11 -26.950 5.667 5.769 1.00 0.00 C ATOM 177 C THR A 11 -26.921 4.809 7.033 1.00 0.00 C ATOM 178 O THR A 11 -27.946 4.604 7.681 1.00 0.00 O ATOM 179 CB THR A 11 -27.215 7.136 6.149 1.00 0.00 C ATOM 180 OG1 THR A 11 -27.406 7.916 4.958 1.00 0.00 O ATOM 181 CG2 THR A 11 -26.055 7.709 6.946 1.00 0.00 C ATOM 0 H THR A 11 -28.801 4.823 5.268 1.00 0.00 H new ATOM 0 HA THR A 11 -25.981 5.595 5.275 1.00 0.00 H new ATOM 0 HB THR A 11 -28.113 7.174 6.766 1.00 0.00 H new ATOM 0 HG1 THR A 11 -27.576 8.850 5.202 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.267 8.747 7.202 1.00 0.00 H new ATOM 0 HG22 THR A 11 -25.920 7.130 7.860 1.00 0.00 H new ATOM 0 HG23 THR A 11 -25.144 7.661 6.349 1.00 0.00 H new ATOM 189 N TYR A 12 -25.742 4.311 7.375 1.00 0.00 N ATOM 190 CA TYR A 12 -25.570 3.496 8.565 1.00 0.00 C ATOM 191 C TYR A 12 -24.235 3.813 9.226 1.00 0.00 C ATOM 192 O TYR A 12 -23.199 3.853 8.562 1.00 0.00 O ATOM 193 CB TYR A 12 -25.654 2.006 8.218 1.00 0.00 C ATOM 194 CG TYR A 12 -25.445 1.101 9.411 1.00 0.00 C ATOM 195 CD1 TYR A 12 -26.405 1.006 10.410 1.00 0.00 C ATOM 196 CD2 TYR A 12 -24.283 0.353 9.542 1.00 0.00 C ATOM 197 CE1 TYR A 12 -26.210 0.193 11.510 1.00 0.00 C ATOM 198 CE2 TYR A 12 -24.082 -0.466 10.636 1.00 0.00 C ATOM 199 CZ TYR A 12 -25.048 -0.542 11.618 1.00 0.00 C ATOM 200 OH TYR A 12 -24.846 -1.346 12.716 1.00 0.00 O ATOM 0 H TYR A 12 -24.886 4.459 6.840 1.00 0.00 H new ATOM 0 HA TYR A 12 -26.374 3.728 9.264 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -26.629 1.797 7.779 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -24.906 1.774 7.459 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -27.318 1.576 10.326 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -23.524 0.412 8.776 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -26.964 0.133 12.281 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.174 -1.044 10.722 1.00 0.00 H new ATOM 0 HH TYR A 12 -23.979 -1.796 12.637 1.00 0.00 H new ATOM 210 N ASN A 13 -24.267 4.046 10.530 1.00 0.00 N ATOM 211 CA ASN A 13 -23.061 4.389 11.271 1.00 0.00 C ATOM 212 C ASN A 13 -22.420 3.148 11.885 1.00 0.00 C ATOM 213 O ASN A 13 -23.039 2.439 12.681 1.00 0.00 O ATOM 214 CB ASN A 13 -23.380 5.403 12.373 1.00 0.00 C ATOM 215 CG ASN A 13 -22.130 5.966 13.023 1.00 0.00 C ATOM 216 OD1 ASN A 13 -21.101 6.138 12.373 1.00 0.00 O ATOM 217 ND2 ASN A 13 -22.206 6.254 14.312 1.00 0.00 N ATOM 0 H ASN A 13 -25.114 4.004 11.097 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.355 4.832 10.568 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.966 6.220 11.952 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.998 4.926 13.134 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -21.393 6.632 14.799 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -23.077 6.098 14.819 1.00 0.00 H new ATOM 224 N VAL A 14 -21.180 2.889 11.505 1.00 0.00 N ATOM 225 CA VAL A 14 -20.417 1.784 12.059 1.00 0.00 C ATOM 226 C VAL A 14 -19.465 2.297 13.131 1.00 0.00 C ATOM 227 O VAL A 14 -18.368 2.770 12.823 1.00 0.00 O ATOM 228 CB VAL A 14 -19.618 1.045 10.963 1.00 0.00 C ATOM 229 CG1 VAL A 14 -18.734 -0.038 11.563 1.00 0.00 C ATOM 230 CG2 VAL A 14 -20.562 0.456 9.928 1.00 0.00 C ATOM 0 H VAL A 14 -20.676 3.436 10.807 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.121 1.078 12.500 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.969 1.769 10.470 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.184 -0.541 10.768 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.030 0.413 12.262 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.354 -0.763 12.090 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -19.985 -0.062 9.162 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.238 -0.249 10.412 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.141 1.256 9.467 1.00 0.00 H new ATOM 240 N MET A 15 -19.912 2.224 14.384 1.00 0.00 N ATOM 241 CA MET A 15 -19.162 2.740 15.533 1.00 0.00 C ATOM 242 C MET A 15 -18.972 4.252 15.423 1.00 0.00 C ATOM 243 O MET A 15 -19.716 5.024 16.024 1.00 0.00 O ATOM 244 CB MET A 15 -17.803 2.039 15.678 1.00 0.00 C ATOM 245 CG MET A 15 -17.906 0.546 15.952 1.00 0.00 C ATOM 246 SD MET A 15 -16.292 -0.239 16.111 1.00 0.00 S ATOM 247 CE MET A 15 -16.764 -1.941 16.410 1.00 0.00 C ATOM 0 H MET A 15 -20.807 1.804 14.634 1.00 0.00 H new ATOM 0 HA MET A 15 -19.747 2.527 16.428 1.00 0.00 H new ATOM 0 HB2 MET A 15 -17.227 2.192 14.765 1.00 0.00 H new ATOM 0 HB3 MET A 15 -17.247 2.510 16.489 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.476 0.386 16.867 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.461 0.069 15.144 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.869 -2.551 16.529 1.00 0.00 H new ATOM 0 HE2 MET A 15 -17.366 -1.998 17.317 1.00 0.00 H new ATOM 0 HE3 MET A 15 -17.345 -2.311 15.565 1.00 0.00 H new ATOM 257 N GLY A 16 -17.988 4.668 14.641 1.00 0.00 N ATOM 258 CA GLY A 16 -17.756 6.080 14.425 1.00 0.00 C ATOM 259 C GLY A 16 -17.654 6.418 12.954 1.00 0.00 C ATOM 260 O GLY A 16 -17.501 7.586 12.584 1.00 0.00 O ATOM 0 H GLY A 16 -17.343 4.049 14.150 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.567 6.654 14.874 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.837 6.378 14.930 1.00 0.00 H new ATOM 264 N ILE A 17 -17.744 5.399 12.110 1.00 0.00 N ATOM 265 CA ILE A 17 -17.630 5.584 10.673 1.00 0.00 C ATOM 266 C ILE A 17 -19.008 5.511 10.034 1.00 0.00 C ATOM 267 O ILE A 17 -19.596 4.437 9.926 1.00 0.00 O ATOM 268 CB ILE A 17 -16.723 4.515 10.022 1.00 0.00 C ATOM 269 CG1 ILE A 17 -15.478 4.253 10.878 1.00 0.00 C ATOM 270 CG2 ILE A 17 -16.320 4.954 8.621 1.00 0.00 C ATOM 271 CD1 ILE A 17 -14.592 5.463 11.075 1.00 0.00 C ATOM 0 H ILE A 17 -17.896 4.433 12.399 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.181 6.563 10.507 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.286 3.584 9.954 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.794 3.886 11.854 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.892 3.460 10.413 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.681 4.194 8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.213 5.085 8.010 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.777 5.897 8.677 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.735 5.190 11.691 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -14.243 5.820 10.106 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.158 6.252 11.570 1.00 0.00 H new ATOM 283 N THR A 18 -19.532 6.655 9.636 1.00 0.00 N ATOM 284 CA THR A 18 -20.854 6.712 9.044 1.00 0.00 C ATOM 285 C THR A 18 -20.780 6.451 7.542 1.00 0.00 C ATOM 286 O THR A 18 -20.131 7.192 6.803 1.00 0.00 O ATOM 287 CB THR A 18 -21.515 8.077 9.316 1.00 0.00 C ATOM 288 OG1 THR A 18 -21.257 8.470 10.674 1.00 0.00 O ATOM 289 CG2 THR A 18 -23.017 8.005 9.092 1.00 0.00 C ATOM 0 H THR A 18 -19.062 7.557 9.712 1.00 0.00 H new ATOM 0 HA THR A 18 -21.465 5.935 9.503 1.00 0.00 H new ATOM 0 HB THR A 18 -21.094 8.809 8.627 1.00 0.00 H new ATOM 0 HG1 THR A 18 -21.208 7.673 11.242 1.00 0.00 H new ATOM 0 HG21 THR A 18 -23.462 8.980 9.290 1.00 0.00 H new ATOM 0 HG22 THR A 18 -23.218 7.718 8.060 1.00 0.00 H new ATOM 0 HG23 THR A 18 -23.450 7.265 9.765 1.00 0.00 H new ATOM 297 N PHE A 19 -21.423 5.377 7.104 1.00 0.00 N ATOM 298 CA PHE A 19 -21.414 4.992 5.698 1.00 0.00 C ATOM 299 C PHE A 19 -22.731 5.341 5.029 1.00 0.00 C ATOM 300 O PHE A 19 -23.777 5.396 5.678 1.00 0.00 O ATOM 301 CB PHE A 19 -21.180 3.489 5.549 1.00 0.00 C ATOM 302 CG PHE A 19 -19.817 3.029 5.960 1.00 0.00 C ATOM 303 CD1 PHE A 19 -18.777 3.012 5.049 1.00 0.00 C ATOM 304 CD2 PHE A 19 -19.578 2.601 7.255 1.00 0.00 C ATOM 305 CE1 PHE A 19 -17.522 2.580 5.421 1.00 0.00 C ATOM 306 CE2 PHE A 19 -18.326 2.166 7.633 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.296 2.156 6.714 1.00 0.00 C ATOM 0 H PHE A 19 -21.961 4.753 7.706 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.604 5.542 5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.923 2.958 6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.345 3.210 4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.950 3.341 4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.381 2.608 7.977 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.717 2.574 4.701 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -18.151 1.834 8.646 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.314 1.816 7.007 1.00 0.00 H new ATOM 317 N ARG A 20 -22.672 5.566 3.729 1.00 0.00 N ATOM 318 CA ARG A 20 -23.869 5.734 2.929 1.00 0.00 C ATOM 319 C ARG A 20 -23.871 4.731 1.788 1.00 0.00 C ATOM 320 O ARG A 20 -22.822 4.449 1.210 1.00 0.00 O ATOM 321 CB ARG A 20 -23.984 7.155 2.374 1.00 0.00 C ATOM 322 CG ARG A 20 -24.424 8.182 3.403 1.00 0.00 C ATOM 323 CD ARG A 20 -24.964 9.436 2.735 1.00 0.00 C ATOM 324 NE ARG A 20 -23.931 10.169 2.007 1.00 0.00 N ATOM 325 CZ ARG A 20 -24.014 10.496 0.718 1.00 0.00 C ATOM 326 NH1 ARG A 20 -25.022 10.054 -0.023 1.00 0.00 N ATOM 327 NH2 ARG A 20 -23.075 11.252 0.163 1.00 0.00 N ATOM 0 H ARG A 20 -21.801 5.637 3.203 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.730 5.559 3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -23.019 7.455 1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.694 7.156 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -25.191 7.750 4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -23.581 8.443 4.043 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -25.764 9.162 2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -25.403 10.087 3.491 1.00 0.00 H new ATOM 0 HE ARG A 20 -23.093 10.448 2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -25.739 9.460 0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -25.080 10.308 -1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.289 11.583 0.723 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.139 11.502 -0.824 1.00 0.00 H new ATOM 341 N ALA A 21 -25.038 4.164 1.504 1.00 0.00 N ATOM 342 CA ALA A 21 -25.194 3.232 0.392 1.00 0.00 C ATOM 343 C ALA A 21 -24.634 3.817 -0.903 1.00 0.00 C ATOM 344 O ALA A 21 -25.091 4.856 -1.382 1.00 0.00 O ATOM 345 CB ALA A 21 -26.660 2.865 0.216 1.00 0.00 C ATOM 0 H ALA A 21 -25.894 4.334 2.031 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.628 2.330 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.763 2.169 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.030 2.397 1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -27.238 3.766 0.010 1.00 0.00 H new ATOM 351 N GLY A 22 -23.633 3.148 -1.457 1.00 0.00 N ATOM 352 CA GLY A 22 -23.001 3.622 -2.672 1.00 0.00 C ATOM 353 C GLY A 22 -21.652 4.262 -2.407 1.00 0.00 C ATOM 354 O GLY A 22 -20.805 4.336 -3.298 1.00 0.00 O ATOM 0 H GLY A 22 -23.245 2.281 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.876 2.788 -3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.654 4.345 -3.160 1.00 0.00 H new ATOM 358 N VAL A 23 -21.450 4.715 -1.176 1.00 0.00 N ATOM 359 CA VAL A 23 -20.215 5.383 -0.797 1.00 0.00 C ATOM 360 C VAL A 23 -19.220 4.386 -0.215 1.00 0.00 C ATOM 361 O VAL A 23 -19.518 3.685 0.754 1.00 0.00 O ATOM 362 CB VAL A 23 -20.469 6.505 0.235 1.00 0.00 C ATOM 363 CG1 VAL A 23 -19.175 7.232 0.573 1.00 0.00 C ATOM 364 CG2 VAL A 23 -21.514 7.486 -0.278 1.00 0.00 C ATOM 0 H VAL A 23 -22.130 4.630 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.801 5.828 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.851 6.044 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.378 8.017 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.459 6.525 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.760 7.675 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.676 8.267 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -21.165 7.936 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -22.450 6.958 -0.460 1.00 0.00 H new ATOM 374 N SER A 24 -18.051 4.316 -0.830 1.00 0.00 N ATOM 375 CA SER A 24 -16.975 3.476 -0.336 1.00 0.00 C ATOM 376 C SER A 24 -16.034 4.303 0.536 1.00 0.00 C ATOM 377 O SER A 24 -15.537 5.347 0.110 1.00 0.00 O ATOM 378 CB SER A 24 -16.211 2.874 -1.516 1.00 0.00 C ATOM 379 OG SER A 24 -17.099 2.240 -2.421 1.00 0.00 O ATOM 0 H SER A 24 -17.823 4.835 -1.678 1.00 0.00 H new ATOM 0 HA SER A 24 -17.392 2.668 0.265 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.656 3.657 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.480 2.152 -1.151 1.00 0.00 H new ATOM 0 HG SER A 24 -16.590 1.863 -3.169 1.00 0.00 H new ATOM 385 N GLN A 25 -15.808 3.845 1.759 1.00 0.00 N ATOM 386 CA GLN A 25 -14.939 4.557 2.688 1.00 0.00 C ATOM 387 C GLN A 25 -13.931 3.595 3.302 1.00 0.00 C ATOM 388 O GLN A 25 -14.268 2.454 3.621 1.00 0.00 O ATOM 389 CB GLN A 25 -15.770 5.243 3.778 1.00 0.00 C ATOM 390 CG GLN A 25 -16.702 6.317 3.233 1.00 0.00 C ATOM 391 CD GLN A 25 -17.545 6.991 4.300 1.00 0.00 C ATOM 392 OE1 GLN A 25 -17.900 8.165 4.174 1.00 0.00 O ATOM 393 NE2 GLN A 25 -17.881 6.262 5.350 1.00 0.00 N ATOM 0 H GLN A 25 -16.213 2.986 2.131 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.394 5.327 2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.359 4.492 4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.098 5.691 4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -16.109 7.074 2.719 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -17.362 5.870 2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.568 5.294 5.420 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.453 6.668 6.091 1.00 0.00 H new ATOM 402 N THR A 26 -12.703 4.066 3.464 1.00 0.00 N ATOM 403 CA THR A 26 -11.618 3.229 3.947 1.00 0.00 C ATOM 404 C THR A 26 -11.824 2.821 5.401 1.00 0.00 C ATOM 405 O THR A 26 -12.164 3.647 6.255 1.00 0.00 O ATOM 406 CB THR A 26 -10.265 3.955 3.799 1.00 0.00 C ATOM 407 OG1 THR A 26 -10.392 5.321 4.219 1.00 0.00 O ATOM 408 CG2 THR A 26 -9.782 3.907 2.359 1.00 0.00 C ATOM 0 H THR A 26 -12.434 5.030 3.266 1.00 0.00 H new ATOM 0 HA THR A 26 -11.612 2.325 3.337 1.00 0.00 H new ATOM 0 HB THR A 26 -9.535 3.448 4.429 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.528 5.774 4.124 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.826 4.425 2.278 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.659 2.869 2.051 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.514 4.393 1.713 1.00 0.00 H new ATOM 416 N VAL A 27 -11.631 1.537 5.671 1.00 0.00 N ATOM 417 CA VAL A 27 -11.809 1.000 7.013 1.00 0.00 C ATOM 418 C VAL A 27 -10.534 0.337 7.518 1.00 0.00 C ATOM 419 O VAL A 27 -9.729 -0.172 6.733 1.00 0.00 O ATOM 420 CB VAL A 27 -12.963 -0.030 7.075 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.289 0.632 6.758 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.710 -1.199 6.131 1.00 0.00 C ATOM 0 H VAL A 27 -11.350 0.846 4.975 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.057 1.849 7.651 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.006 -0.422 8.091 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.087 -0.109 6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.483 1.423 7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.252 1.059 5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.537 -1.905 6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.628 -0.830 5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.783 -1.699 6.411 1.00 0.00 H new ATOM 432 N PRO A 28 -10.320 0.368 8.841 1.00 0.00 N ATOM 433 CA PRO A 28 -9.238 -0.377 9.486 1.00 0.00 C ATOM 434 C PRO A 28 -9.463 -1.880 9.355 1.00 0.00 C ATOM 435 O PRO A 28 -10.580 -2.319 9.074 1.00 0.00 O ATOM 436 CB PRO A 28 -9.321 0.049 10.957 1.00 0.00 C ATOM 437 CG PRO A 28 -10.160 1.280 10.969 1.00 0.00 C ATOM 438 CD PRO A 28 -11.103 1.147 9.811 1.00 0.00 C ATOM 0 HA PRO A 28 -8.265 -0.172 9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.767 -0.736 11.568 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.330 0.246 11.365 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.706 1.372 11.908 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.544 2.174 10.870 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.022 0.634 10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.391 2.119 9.411 1.00 0.00 H new ATOM 446 N LYS A 29 -8.419 -2.670 9.578 1.00 0.00 N ATOM 447 CA LYS A 29 -8.515 -4.117 9.404 1.00 0.00 C ATOM 448 C LYS A 29 -9.518 -4.732 10.381 1.00 0.00 C ATOM 449 O LYS A 29 -10.137 -5.752 10.078 1.00 0.00 O ATOM 450 CB LYS A 29 -7.142 -4.783 9.551 1.00 0.00 C ATOM 451 CG LYS A 29 -6.491 -4.577 10.908 1.00 0.00 C ATOM 452 CD LYS A 29 -5.162 -5.305 10.999 1.00 0.00 C ATOM 453 CE LYS A 29 -4.149 -4.749 10.011 1.00 0.00 C ATOM 454 NZ LYS A 29 -2.910 -5.568 9.970 1.00 0.00 N ATOM 0 H LYS A 29 -7.502 -2.338 9.877 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.877 -4.300 8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.249 -5.853 9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.478 -4.394 8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.337 -3.512 11.082 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.158 -4.935 11.692 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.768 -5.219 12.012 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.314 -6.367 10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.594 -4.713 9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.898 -3.724 10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.244 -5.157 9.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.472 -5.582 10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.145 -6.540 9.683 1.00 0.00 H new ATOM 468 N LYS A 30 -9.684 -4.107 11.543 1.00 0.00 N ATOM 469 CA LYS A 30 -10.687 -4.551 12.507 1.00 0.00 C ATOM 470 C LYS A 30 -12.086 -4.424 11.916 1.00 0.00 C ATOM 471 O LYS A 30 -12.847 -5.393 11.877 1.00 0.00 O ATOM 472 CB LYS A 30 -10.596 -3.737 13.799 1.00 0.00 C ATOM 473 CG LYS A 30 -9.344 -4.008 14.613 1.00 0.00 C ATOM 474 CD LYS A 30 -9.299 -3.138 15.860 1.00 0.00 C ATOM 475 CE LYS A 30 -8.092 -3.464 16.719 1.00 0.00 C ATOM 476 NZ LYS A 30 -8.024 -2.610 17.935 1.00 0.00 N ATOM 0 H LYS A 30 -9.141 -3.296 11.839 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.492 -5.598 12.739 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.633 -2.676 13.551 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.470 -3.952 14.414 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.313 -5.059 14.899 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.462 -3.818 14.002 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.269 -2.087 15.572 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.210 -3.283 16.440 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.130 -4.512 17.014 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.183 -3.331 16.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.185 -2.866 18.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.961 -1.611 17.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.879 -2.755 18.509 1.00 0.00 H new ATOM 490 N LEU A 31 -12.409 -3.228 11.435 1.00 0.00 N ATOM 491 CA LEU A 31 -13.714 -2.970 10.838 1.00 0.00 C ATOM 492 C LEU A 31 -13.874 -3.726 9.526 1.00 0.00 C ATOM 493 O LEU A 31 -14.992 -4.031 9.116 1.00 0.00 O ATOM 494 CB LEU A 31 -13.924 -1.472 10.612 1.00 0.00 C ATOM 495 CG LEU A 31 -14.041 -0.636 11.888 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.304 0.822 11.546 1.00 0.00 C ATOM 497 CD2 LEU A 31 -15.146 -1.178 12.781 1.00 0.00 C ATOM 0 H LEU A 31 -11.784 -2.422 11.447 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.473 -3.326 11.535 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.093 -1.089 10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.828 -1.332 10.020 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.097 -0.700 12.429 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.385 1.402 12.465 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.482 1.208 10.944 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.234 0.902 10.984 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.215 -0.571 13.684 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.096 -1.143 12.247 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.921 -2.209 13.053 1.00 0.00 H new ATOM 509 N TYR A 32 -12.756 -4.029 8.875 1.00 0.00 N ATOM 510 CA TYR A 32 -12.777 -4.818 7.652 1.00 0.00 C ATOM 511 C TYR A 32 -13.397 -6.184 7.921 1.00 0.00 C ATOM 512 O TYR A 32 -14.267 -6.633 7.186 1.00 0.00 O ATOM 513 CB TYR A 32 -11.364 -4.979 7.080 1.00 0.00 C ATOM 514 CG TYR A 32 -11.312 -5.800 5.806 1.00 0.00 C ATOM 515 CD1 TYR A 32 -11.813 -5.297 4.612 1.00 0.00 C ATOM 516 CD2 TYR A 32 -10.763 -7.078 5.799 1.00 0.00 C ATOM 517 CE1 TYR A 32 -11.773 -6.043 3.449 1.00 0.00 C ATOM 518 CE2 TYR A 32 -10.718 -7.830 4.640 1.00 0.00 C ATOM 519 CZ TYR A 32 -11.225 -7.307 3.468 1.00 0.00 C ATOM 520 OH TYR A 32 -11.183 -8.051 2.311 1.00 0.00 O ATOM 0 H TYR A 32 -11.825 -3.740 9.175 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.383 -4.292 6.915 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.947 -3.992 6.883 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.729 -5.449 7.831 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.241 -4.306 4.592 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.365 -7.490 6.715 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.169 -5.637 2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.289 -8.821 4.652 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.765 -8.918 2.495 1.00 0.00 H new ATOM 530 N GLU A 33 -12.957 -6.834 8.992 1.00 0.00 N ATOM 531 CA GLU A 33 -13.506 -8.130 9.368 1.00 0.00 C ATOM 532 C GLU A 33 -14.907 -7.972 9.948 1.00 0.00 C ATOM 533 O GLU A 33 -15.795 -8.783 9.682 1.00 0.00 O ATOM 534 CB GLU A 33 -12.598 -8.826 10.377 1.00 0.00 C ATOM 535 CG GLU A 33 -11.244 -9.213 9.810 1.00 0.00 C ATOM 536 CD GLU A 33 -10.362 -9.881 10.841 1.00 0.00 C ATOM 537 OE1 GLU A 33 -9.684 -9.168 11.608 1.00 0.00 O ATOM 538 OE2 GLU A 33 -10.349 -11.126 10.900 1.00 0.00 O ATOM 0 H GLU A 33 -12.225 -6.487 9.612 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.567 -8.745 8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.449 -8.169 11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.098 -9.722 10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.385 -9.886 8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.744 -8.323 9.429 1.00 0.00 H new ATOM 545 N TYR A 34 -15.092 -6.914 10.729 1.00 0.00 N ATOM 546 CA TYR A 34 -16.381 -6.625 11.350 1.00 0.00 C ATOM 547 C TYR A 34 -17.473 -6.470 10.293 1.00 0.00 C ATOM 548 O TYR A 34 -18.549 -7.057 10.406 1.00 0.00 O ATOM 549 CB TYR A 34 -16.276 -5.354 12.201 1.00 0.00 C ATOM 550 CG TYR A 34 -17.557 -4.982 12.916 1.00 0.00 C ATOM 551 CD1 TYR A 34 -17.931 -5.621 14.092 1.00 0.00 C ATOM 552 CD2 TYR A 34 -18.388 -3.988 12.417 1.00 0.00 C ATOM 553 CE1 TYR A 34 -19.100 -5.281 14.747 1.00 0.00 C ATOM 554 CE2 TYR A 34 -19.557 -3.643 13.066 1.00 0.00 C ATOM 555 CZ TYR A 34 -19.907 -4.292 14.229 1.00 0.00 C ATOM 556 OH TYR A 34 -21.070 -3.950 14.880 1.00 0.00 O ATOM 0 H TYR A 34 -14.361 -6.238 10.949 1.00 0.00 H new ATOM 0 HA TYR A 34 -16.652 -7.463 11.993 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.486 -5.488 12.940 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -15.976 -4.525 11.561 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.299 -6.395 14.501 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.116 -3.476 11.506 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -19.379 -5.788 15.659 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -20.193 -2.869 12.664 1.00 0.00 H new ATOM 0 HH TYR A 34 -21.523 -3.235 14.386 1.00 0.00 H new ATOM 566 N LEU A 35 -17.191 -5.690 9.259 1.00 0.00 N ATOM 567 CA LEU A 35 -18.160 -5.457 8.198 1.00 0.00 C ATOM 568 C LEU A 35 -18.176 -6.615 7.208 1.00 0.00 C ATOM 569 O LEU A 35 -19.160 -6.825 6.508 1.00 0.00 O ATOM 570 CB LEU A 35 -17.869 -4.138 7.481 1.00 0.00 C ATOM 571 CG LEU A 35 -17.980 -2.893 8.360 1.00 0.00 C ATOM 572 CD1 LEU A 35 -17.679 -1.640 7.554 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.364 -2.806 8.986 1.00 0.00 C ATOM 0 H LEU A 35 -16.301 -5.209 9.132 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.148 -5.390 8.653 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.863 -4.182 7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.558 -4.036 6.643 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.244 -2.970 9.160 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.763 -0.764 8.198 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.667 -1.700 7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.390 -1.556 6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.426 -1.914 9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.116 -2.752 8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.542 -3.689 9.599 1.00 0.00 H new ATOM 585 N ASN A 36 -17.083 -7.369 7.166 1.00 0.00 N ATOM 586 CA ASN A 36 -17.009 -8.575 6.341 1.00 0.00 C ATOM 587 C ASN A 36 -18.031 -9.596 6.829 1.00 0.00 C ATOM 588 O ASN A 36 -18.547 -10.407 6.061 1.00 0.00 O ATOM 589 CB ASN A 36 -15.600 -9.172 6.415 1.00 0.00 C ATOM 590 CG ASN A 36 -15.406 -10.382 5.522 1.00 0.00 C ATOM 591 OD1 ASN A 36 -15.981 -10.477 4.439 1.00 0.00 O ATOM 592 ND2 ASN A 36 -14.586 -11.317 5.979 1.00 0.00 N ATOM 0 H ASN A 36 -16.233 -7.168 7.694 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.230 -8.314 5.306 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.875 -8.407 6.138 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.388 -9.454 7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.411 -12.156 5.426 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.130 -11.197 6.883 1.00 0.00 H new ATOM 599 N GLU A 37 -18.327 -9.530 8.121 1.00 0.00 N ATOM 600 CA GLU A 37 -19.291 -10.422 8.746 1.00 0.00 C ATOM 601 C GLU A 37 -20.723 -9.925 8.503 1.00 0.00 C ATOM 602 O GLU A 37 -21.693 -10.546 8.938 1.00 0.00 O ATOM 603 CB GLU A 37 -19.006 -10.499 10.251 1.00 0.00 C ATOM 604 CG GLU A 37 -19.599 -11.718 10.937 1.00 0.00 C ATOM 605 CD GLU A 37 -18.911 -13.006 10.532 1.00 0.00 C ATOM 606 OE1 GLU A 37 -19.344 -13.632 9.540 1.00 0.00 O ATOM 607 OE2 GLU A 37 -17.942 -13.403 11.212 1.00 0.00 O ATOM 0 H GLU A 37 -17.906 -8.858 8.762 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.197 -11.415 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -17.927 -10.499 10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -19.397 -9.601 10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -19.524 -11.595 12.017 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -20.660 -11.786 10.696 1.00 0.00 H new ATOM 614 N ASN A 38 -20.855 -8.810 7.792 1.00 0.00 N ATOM 615 CA ASN A 38 -22.159 -8.200 7.561 1.00 0.00 C ATOM 616 C ASN A 38 -22.458 -8.081 6.068 1.00 0.00 C ATOM 617 O ASN A 38 -21.784 -7.355 5.339 1.00 0.00 O ATOM 618 CB ASN A 38 -22.234 -6.831 8.244 1.00 0.00 C ATOM 619 CG ASN A 38 -22.399 -6.954 9.748 1.00 0.00 C ATOM 620 OD1 ASN A 38 -23.518 -7.031 10.255 1.00 0.00 O ATOM 621 ND2 ASN A 38 -21.294 -6.977 10.476 1.00 0.00 N ATOM 0 H ASN A 38 -20.074 -8.310 7.366 1.00 0.00 H new ATOM 0 HA ASN A 38 -22.919 -8.848 7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.328 -6.266 8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.070 -6.266 7.833 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.354 -7.061 11.491 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.383 -6.911 10.022 1.00 0.00 H new ATOM 628 N PRO A 39 -23.507 -8.779 5.604 1.00 0.00 N ATOM 629 CA PRO A 39 -23.805 -8.926 4.173 1.00 0.00 C ATOM 630 C PRO A 39 -24.440 -7.691 3.523 1.00 0.00 C ATOM 631 O PRO A 39 -24.902 -7.760 2.385 1.00 0.00 O ATOM 632 CB PRO A 39 -24.788 -10.096 4.148 1.00 0.00 C ATOM 633 CG PRO A 39 -25.494 -10.019 5.456 1.00 0.00 C ATOM 634 CD PRO A 39 -24.490 -9.493 6.445 1.00 0.00 C ATOM 0 HA PRO A 39 -22.889 -9.076 3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.486 -10.010 3.315 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -24.269 -11.048 4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.360 -9.360 5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -25.861 -11.000 5.758 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -24.955 -8.826 7.171 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.023 -10.301 7.008 1.00 0.00 H new ATOM 642 N TYR A 40 -24.465 -6.566 4.227 1.00 0.00 N ATOM 643 CA TYR A 40 -24.998 -5.341 3.650 1.00 0.00 C ATOM 644 C TYR A 40 -23.870 -4.369 3.327 1.00 0.00 C ATOM 645 O TYR A 40 -24.099 -3.199 3.018 1.00 0.00 O ATOM 646 CB TYR A 40 -26.058 -4.697 4.559 1.00 0.00 C ATOM 647 CG TYR A 40 -25.745 -4.712 6.041 1.00 0.00 C ATOM 648 CD1 TYR A 40 -26.037 -5.827 6.816 1.00 0.00 C ATOM 649 CD2 TYR A 40 -25.186 -3.607 6.667 1.00 0.00 C ATOM 650 CE1 TYR A 40 -25.778 -5.841 8.172 1.00 0.00 C ATOM 651 CE2 TYR A 40 -24.920 -3.615 8.025 1.00 0.00 C ATOM 652 CZ TYR A 40 -25.218 -4.733 8.772 1.00 0.00 C ATOM 653 OH TYR A 40 -24.959 -4.745 10.122 1.00 0.00 O ATOM 0 H TYR A 40 -24.127 -6.477 5.185 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.500 -5.599 2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -26.199 -3.662 4.246 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -27.007 -5.210 4.401 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -26.474 -6.698 6.350 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -24.955 -2.727 6.085 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -26.013 -6.716 8.760 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -24.481 -2.749 8.497 1.00 0.00 H new ATOM 0 HH TYR A 40 -24.441 -5.546 10.349 1.00 0.00 H new ATOM 663 N PHE A 41 -22.648 -4.883 3.381 1.00 0.00 N ATOM 664 CA PHE A 41 -21.475 -4.134 2.970 1.00 0.00 C ATOM 665 C PHE A 41 -20.665 -4.933 1.959 1.00 0.00 C ATOM 666 O PHE A 41 -20.351 -6.102 2.190 1.00 0.00 O ATOM 667 CB PHE A 41 -20.581 -3.801 4.172 1.00 0.00 C ATOM 668 CG PHE A 41 -21.049 -2.631 4.988 1.00 0.00 C ATOM 669 CD1 PHE A 41 -20.685 -1.342 4.634 1.00 0.00 C ATOM 670 CD2 PHE A 41 -21.839 -2.817 6.110 1.00 0.00 C ATOM 671 CE1 PHE A 41 -21.101 -0.261 5.384 1.00 0.00 C ATOM 672 CE2 PHE A 41 -22.259 -1.737 6.862 1.00 0.00 C ATOM 673 CZ PHE A 41 -21.889 -0.458 6.500 1.00 0.00 C ATOM 0 H PHE A 41 -22.446 -5.827 3.710 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.820 -3.205 2.517 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -20.520 -4.677 4.817 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.572 -3.598 3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -20.069 -1.181 3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -22.130 -3.816 6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -20.810 0.739 5.098 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -22.877 -1.894 7.734 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.215 0.387 7.088 1.00 0.00 H new ATOM 683 N ILE A 42 -20.363 -4.320 0.829 1.00 0.00 N ATOM 684 CA ILE A 42 -19.391 -4.885 -0.092 1.00 0.00 C ATOM 685 C ILE A 42 -18.040 -4.223 0.139 1.00 0.00 C ATOM 686 O ILE A 42 -17.861 -3.037 -0.133 1.00 0.00 O ATOM 687 CB ILE A 42 -19.814 -4.722 -1.572 1.00 0.00 C ATOM 688 CG1 ILE A 42 -20.996 -5.641 -1.877 1.00 0.00 C ATOM 689 CG2 ILE A 42 -18.648 -5.021 -2.511 1.00 0.00 C ATOM 690 CD1 ILE A 42 -21.492 -5.546 -3.305 1.00 0.00 C ATOM 0 H ILE A 42 -20.773 -3.436 0.527 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.328 -5.955 0.105 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.116 -3.687 -1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -20.706 -6.671 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -21.816 -5.399 -1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -18.973 -4.899 -3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -17.829 -4.333 -2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.309 -6.045 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -22.331 -6.227 -3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -21.815 -4.525 -3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -20.687 -5.817 -3.988 1.00 0.00 H new ATOM 702 N LEU A 43 -17.108 -4.984 0.685 1.00 0.00 N ATOM 703 CA LEU A 43 -15.788 -4.462 0.983 1.00 0.00 C ATOM 704 C LEU A 43 -14.842 -4.769 -0.164 1.00 0.00 C ATOM 705 O LEU A 43 -15.011 -5.763 -0.869 1.00 0.00 O ATOM 706 CB LEU A 43 -15.248 -5.046 2.294 1.00 0.00 C ATOM 707 CG LEU A 43 -16.084 -4.743 3.543 1.00 0.00 C ATOM 708 CD1 LEU A 43 -17.256 -5.705 3.664 1.00 0.00 C ATOM 709 CD2 LEU A 43 -15.219 -4.798 4.786 1.00 0.00 C ATOM 0 H LEU A 43 -17.242 -5.965 0.931 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.863 -3.381 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.168 -6.128 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.239 -4.666 2.452 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.486 -3.735 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.831 -5.467 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -17.895 -5.612 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.882 -6.727 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.828 -4.581 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.785 -5.793 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.421 -4.060 4.707 1.00 0.00 H new ATOM 721 N THR A 44 -13.866 -3.907 -0.362 1.00 0.00 N ATOM 722 CA THR A 44 -12.926 -4.066 -1.455 1.00 0.00 C ATOM 723 C THR A 44 -11.486 -3.982 -0.959 1.00 0.00 C ATOM 724 O THR A 44 -11.064 -2.963 -0.409 1.00 0.00 O ATOM 725 CB THR A 44 -13.163 -2.993 -2.537 1.00 0.00 C ATOM 726 OG1 THR A 44 -14.544 -3.002 -2.931 1.00 0.00 O ATOM 727 CG2 THR A 44 -12.285 -3.238 -3.758 1.00 0.00 C ATOM 0 H THR A 44 -13.702 -3.086 0.221 1.00 0.00 H new ATOM 0 HA THR A 44 -13.089 -5.053 -1.888 1.00 0.00 H new ATOM 0 HB THR A 44 -12.902 -2.022 -2.116 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.693 -2.318 -3.617 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.475 -2.466 -4.503 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.236 -3.209 -3.464 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.516 -4.215 -4.182 1.00 0.00 H new ATOM 877 N PRO A 54 6.208 -12.665 -9.786 1.00 0.00 N ATOM 878 CA PRO A 54 7.487 -12.985 -9.181 1.00 0.00 C ATOM 879 C PRO A 54 7.842 -14.467 -9.341 1.00 0.00 C ATOM 880 O PRO A 54 7.113 -15.209 -9.999 1.00 0.00 O ATOM 881 CB PRO A 54 7.220 -12.655 -7.716 1.00 0.00 C ATOM 882 CG PRO A 54 5.758 -12.944 -7.509 1.00 0.00 C ATOM 883 CD PRO A 54 5.111 -13.017 -8.879 1.00 0.00 C ATOM 0 HA PRO A 54 8.324 -12.447 -9.626 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.839 -13.262 -7.056 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.450 -11.612 -7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.625 -13.883 -6.971 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.294 -12.163 -6.907 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.720 -14.013 -9.087 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.276 -12.322 -8.968 1.00 0.00 H new ATOM 891 N ILE A 55 8.966 -14.871 -8.730 1.00 0.00 N ATOM 892 CA ILE A 55 9.398 -16.283 -8.649 1.00 0.00 C ATOM 893 C ILE A 55 9.121 -17.074 -9.949 1.00 0.00 C ATOM 894 O ILE A 55 8.380 -18.060 -9.965 1.00 0.00 O ATOM 895 CB ILE A 55 8.783 -16.986 -7.401 1.00 0.00 C ATOM 896 CG1 ILE A 55 9.401 -18.370 -7.197 1.00 0.00 C ATOM 897 CG2 ILE A 55 7.261 -17.083 -7.477 1.00 0.00 C ATOM 898 CD1 ILE A 55 10.877 -18.332 -6.866 1.00 0.00 C ATOM 0 H ILE A 55 9.609 -14.225 -8.273 1.00 0.00 H new ATOM 0 HA ILE A 55 10.482 -16.274 -8.531 1.00 0.00 H new ATOM 0 HB ILE A 55 9.021 -16.364 -6.539 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.870 -18.881 -6.394 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.255 -18.961 -8.101 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.883 -17.581 -6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.835 -16.082 -7.542 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.977 -17.656 -8.359 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.247 -19.349 -6.735 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.420 -17.850 -7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.029 -17.769 -5.945 1.00 0.00 H new ATOM 910 N ASN A 56 9.738 -16.627 -11.041 1.00 0.00 N ATOM 911 CA ASN A 56 9.537 -17.237 -12.359 1.00 0.00 C ATOM 912 C ASN A 56 10.481 -16.593 -13.370 1.00 0.00 C ATOM 913 O ASN A 56 10.131 -15.599 -14.008 1.00 0.00 O ATOM 914 CB ASN A 56 8.080 -17.061 -12.821 1.00 0.00 C ATOM 915 CG ASN A 56 7.752 -17.837 -14.087 1.00 0.00 C ATOM 916 OD1 ASN A 56 7.315 -18.988 -14.027 1.00 0.00 O ATOM 917 ND2 ASN A 56 7.946 -17.217 -15.240 1.00 0.00 N ATOM 0 H ASN A 56 10.386 -15.839 -11.041 1.00 0.00 H new ATOM 0 HA ASN A 56 9.751 -18.303 -12.287 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.412 -17.383 -12.022 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.886 -16.002 -12.992 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.732 -17.692 -16.117 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.309 -16.264 -15.252 1.00 0.00 H new ATOM 924 N TYR A 57 11.694 -17.127 -13.476 1.00 0.00 N ATOM 925 CA TYR A 57 12.713 -16.542 -14.345 1.00 0.00 C ATOM 926 C TYR A 57 13.547 -17.633 -15.010 1.00 0.00 C ATOM 927 O TYR A 57 13.569 -18.774 -14.551 1.00 0.00 O ATOM 928 CB TYR A 57 13.625 -15.599 -13.547 1.00 0.00 C ATOM 929 CG TYR A 57 12.893 -14.432 -12.921 1.00 0.00 C ATOM 930 CD1 TYR A 57 12.330 -14.540 -11.655 1.00 0.00 C ATOM 931 CD2 TYR A 57 12.754 -13.228 -13.600 1.00 0.00 C ATOM 932 CE1 TYR A 57 11.644 -13.487 -11.086 1.00 0.00 C ATOM 933 CE2 TYR A 57 12.074 -12.167 -13.035 1.00 0.00 C ATOM 934 CZ TYR A 57 11.521 -12.303 -11.778 1.00 0.00 C ATOM 935 OH TYR A 57 10.836 -11.254 -11.214 1.00 0.00 O ATOM 0 H TYR A 57 11.996 -17.961 -12.973 1.00 0.00 H new ATOM 0 HA TYR A 57 12.206 -15.969 -15.121 1.00 0.00 H new ATOM 0 HB2 TYR A 57 14.123 -16.168 -12.762 1.00 0.00 H new ATOM 0 HB3 TYR A 57 14.404 -15.217 -14.207 1.00 0.00 H new ATOM 0 HD1 TYR A 57 12.431 -15.465 -11.107 1.00 0.00 H new ATOM 0 HD2 TYR A 57 13.184 -13.120 -14.585 1.00 0.00 H new ATOM 0 HE1 TYR A 57 11.206 -13.591 -10.104 1.00 0.00 H new ATOM 0 HE2 TYR A 57 11.976 -11.236 -13.574 1.00 0.00 H new ATOM 0 HH TYR A 57 10.841 -10.491 -11.829 1.00 0.00 H new ATOM 945 N THR A 58 14.239 -17.266 -16.081 1.00 0.00 N ATOM 946 CA THR A 58 15.054 -18.205 -16.842 1.00 0.00 C ATOM 947 C THR A 58 16.332 -18.546 -16.082 1.00 0.00 C ATOM 948 O THR A 58 16.900 -17.687 -15.413 1.00 0.00 O ATOM 949 CB THR A 58 15.414 -17.606 -18.215 1.00 0.00 C ATOM 950 OG1 THR A 58 14.300 -16.854 -18.719 1.00 0.00 O ATOM 951 CG2 THR A 58 15.782 -18.693 -19.212 1.00 0.00 C ATOM 0 H THR A 58 14.252 -16.313 -16.446 1.00 0.00 H new ATOM 0 HA THR A 58 14.476 -19.118 -16.988 1.00 0.00 H new ATOM 0 HB THR A 58 16.277 -16.954 -18.085 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.271 -15.978 -18.280 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.031 -18.238 -20.171 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.642 -19.251 -18.841 1.00 0.00 H new ATOM 0 HG23 THR A 58 14.938 -19.370 -19.340 1.00 0.00 H new ATOM 959 N GLU A 59 16.786 -19.793 -16.178 1.00 0.00 N ATOM 960 CA GLU A 59 18.014 -20.198 -15.498 1.00 0.00 C ATOM 961 C GLU A 59 19.208 -19.463 -16.098 1.00 0.00 C ATOM 962 O GLU A 59 20.155 -19.097 -15.397 1.00 0.00 O ATOM 963 CB GLU A 59 18.204 -21.725 -15.560 1.00 0.00 C ATOM 964 CG GLU A 59 18.508 -22.286 -16.947 1.00 0.00 C ATOM 965 CD GLU A 59 19.992 -22.496 -17.181 1.00 0.00 C ATOM 966 OE1 GLU A 59 20.514 -23.550 -16.774 1.00 0.00 O ATOM 967 OE2 GLU A 59 20.643 -21.602 -17.765 1.00 0.00 O ATOM 0 H GLU A 59 16.330 -20.532 -16.712 1.00 0.00 H new ATOM 0 HA GLU A 59 17.937 -19.926 -14.445 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.016 -22.002 -14.888 1.00 0.00 H new ATOM 0 HB3 GLU A 59 17.300 -22.203 -15.182 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.987 -23.235 -17.073 1.00 0.00 H new ATOM 0 HG3 GLU A 59 18.118 -21.605 -17.703 1.00 0.00 H new ATOM 974 N SER A 60 19.143 -19.227 -17.400 1.00 0.00 N ATOM 975 CA SER A 60 20.170 -18.472 -18.090 1.00 0.00 C ATOM 976 C SER A 60 20.007 -16.988 -17.782 1.00 0.00 C ATOM 977 O SER A 60 20.969 -16.225 -17.802 1.00 0.00 O ATOM 978 CB SER A 60 20.073 -18.729 -19.594 1.00 0.00 C ATOM 979 OG SER A 60 19.963 -20.122 -19.862 1.00 0.00 O ATOM 0 H SER A 60 18.384 -19.551 -18.000 1.00 0.00 H new ATOM 0 HA SER A 60 21.155 -18.791 -17.748 1.00 0.00 H new ATOM 0 HB2 SER A 60 19.208 -18.206 -20.002 1.00 0.00 H new ATOM 0 HB3 SER A 60 20.954 -18.326 -20.094 1.00 0.00 H new ATOM 0 HG SER A 60 20.284 -20.630 -19.088 1.00 0.00 H new ATOM 985 N GLU A 61 18.779 -16.599 -17.459 1.00 0.00 N ATOM 986 CA GLU A 61 18.471 -15.216 -17.134 1.00 0.00 C ATOM 987 C GLU A 61 18.935 -14.886 -15.717 1.00 0.00 C ATOM 988 O GLU A 61 19.555 -13.852 -15.479 1.00 0.00 O ATOM 989 CB GLU A 61 16.968 -15.005 -17.285 1.00 0.00 C ATOM 990 CG GLU A 61 16.453 -13.652 -16.849 1.00 0.00 C ATOM 991 CD GLU A 61 14.957 -13.559 -17.032 1.00 0.00 C ATOM 992 OE1 GLU A 61 14.274 -14.595 -16.864 1.00 0.00 O ATOM 993 OE2 GLU A 61 14.456 -12.466 -17.362 1.00 0.00 O ATOM 0 H GLU A 61 17.977 -17.228 -17.416 1.00 0.00 H new ATOM 0 HA GLU A 61 18.998 -14.546 -17.813 1.00 0.00 H new ATOM 0 HB2 GLU A 61 16.701 -15.156 -18.331 1.00 0.00 H new ATOM 0 HB3 GLU A 61 16.451 -15.773 -16.710 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.706 -13.482 -15.803 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.943 -12.869 -17.427 1.00 0.00 H new ATOM 1000 N LEU A 62 18.649 -15.790 -14.789 1.00 0.00 N ATOM 1001 CA LEU A 62 19.038 -15.625 -13.394 1.00 0.00 C ATOM 1002 C LEU A 62 20.554 -15.638 -13.229 1.00 0.00 C ATOM 1003 O LEU A 62 21.095 -14.947 -12.365 1.00 0.00 O ATOM 1004 CB LEU A 62 18.407 -16.725 -12.539 1.00 0.00 C ATOM 1005 CG LEU A 62 16.891 -16.622 -12.376 1.00 0.00 C ATOM 1006 CD1 LEU A 62 16.342 -17.862 -11.692 1.00 0.00 C ATOM 1007 CD2 LEU A 62 16.528 -15.376 -11.584 1.00 0.00 C ATOM 0 H LEU A 62 18.143 -16.655 -14.980 1.00 0.00 H new ATOM 0 HA LEU A 62 18.674 -14.653 -13.059 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.645 -17.692 -12.982 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.866 -16.706 -11.551 1.00 0.00 H new ATOM 0 HG LEU A 62 16.442 -16.548 -13.367 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.261 -17.770 -11.585 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.574 -18.742 -12.293 1.00 0.00 H new ATOM 0 HD13 LEU A 62 16.797 -17.966 -10.707 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.445 -15.316 -11.476 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.989 -15.425 -10.597 1.00 0.00 H new ATOM 0 HD23 LEU A 62 16.890 -14.492 -12.110 1.00 0.00 H new ATOM 1019 N LYS A 63 21.240 -16.419 -14.059 1.00 0.00 N ATOM 1020 CA LYS A 63 22.700 -16.446 -14.031 1.00 0.00 C ATOM 1021 C LYS A 63 23.278 -15.162 -14.618 1.00 0.00 C ATOM 1022 O LYS A 63 24.464 -14.874 -14.461 1.00 0.00 O ATOM 1023 CB LYS A 63 23.254 -17.673 -14.766 1.00 0.00 C ATOM 1024 CG LYS A 63 23.220 -18.941 -13.922 1.00 0.00 C ATOM 1025 CD LYS A 63 24.035 -20.070 -14.537 1.00 0.00 C ATOM 1026 CE LYS A 63 23.185 -21.009 -15.388 1.00 0.00 C ATOM 1027 NZ LYS A 63 22.553 -20.318 -16.541 1.00 0.00 N ATOM 0 H LYS A 63 20.815 -17.035 -14.752 1.00 0.00 H new ATOM 0 HA LYS A 63 23.007 -16.517 -12.987 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.677 -17.834 -15.677 1.00 0.00 H new ATOM 0 HB3 LYS A 63 24.282 -17.474 -15.070 1.00 0.00 H new ATOM 0 HG2 LYS A 63 23.603 -18.721 -12.926 1.00 0.00 H new ATOM 0 HG3 LYS A 63 22.187 -19.266 -13.802 1.00 0.00 H new ATOM 0 HD2 LYS A 63 24.829 -19.647 -15.152 1.00 0.00 H new ATOM 0 HD3 LYS A 63 24.516 -20.641 -13.743 1.00 0.00 H new ATOM 0 HE2 LYS A 63 23.808 -21.825 -15.755 1.00 0.00 H new ATOM 0 HE3 LYS A 63 22.409 -21.455 -14.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 22.189 -21.024 -17.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 21.768 -19.725 -16.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 23.259 -19.720 -17.017 1.00 0.00 H new ATOM 1041 N GLY A 64 22.427 -14.386 -15.275 1.00 0.00 N ATOM 1042 CA GLY A 64 22.839 -13.104 -15.803 1.00 0.00 C ATOM 1043 C GLY A 64 22.271 -11.962 -14.989 1.00 0.00 C ATOM 1044 O GLY A 64 22.028 -10.874 -15.510 1.00 0.00 O ATOM 0 H GLY A 64 21.451 -14.626 -15.452 1.00 0.00 H new ATOM 0 HA2 GLY A 64 23.927 -13.044 -15.807 1.00 0.00 H new ATOM 0 HA3 GLY A 64 22.511 -13.013 -16.838 1.00 0.00 H new ATOM 1048 N MET A 65 22.037 -12.220 -13.709 1.00 0.00 N ATOM 1049 CA MET A 65 21.495 -11.217 -12.802 1.00 0.00 C ATOM 1050 C MET A 65 22.454 -10.943 -11.653 1.00 0.00 C ATOM 1051 O MET A 65 23.595 -11.417 -11.647 1.00 0.00 O ATOM 1052 CB MET A 65 20.153 -11.676 -12.223 1.00 0.00 C ATOM 1053 CG MET A 65 18.990 -11.618 -13.197 1.00 0.00 C ATOM 1054 SD MET A 65 17.432 -12.083 -12.416 1.00 0.00 S ATOM 1055 CE MET A 65 16.280 -11.811 -13.760 1.00 0.00 C ATOM 0 H MET A 65 22.216 -13.124 -13.272 1.00 0.00 H new ATOM 0 HA MET A 65 21.352 -10.303 -13.379 1.00 0.00 H new ATOM 0 HB2 MET A 65 20.258 -12.700 -11.864 1.00 0.00 H new ATOM 0 HB3 MET A 65 19.916 -11.058 -11.357 1.00 0.00 H new ATOM 0 HG2 MET A 65 18.906 -10.609 -13.602 1.00 0.00 H new ATOM 0 HG3 MET A 65 19.187 -12.283 -14.037 1.00 0.00 H new ATOM 0 HE1 MET A 65 15.597 -11.003 -13.496 1.00 0.00 H new ATOM 0 HE2 MET A 65 16.830 -11.541 -14.662 1.00 0.00 H new ATOM 0 HE3 MET A 65 15.711 -12.723 -13.941 1.00 0.00 H new ATOM 1065 N ASN A 66 21.974 -10.181 -10.680 1.00 0.00 N ATOM 1066 CA ASN A 66 22.727 -9.874 -9.473 1.00 0.00 C ATOM 1067 C ASN A 66 22.030 -10.496 -8.258 1.00 0.00 C ATOM 1068 O ASN A 66 20.865 -10.884 -8.341 1.00 0.00 O ATOM 1069 CB ASN A 66 22.879 -8.348 -9.338 1.00 0.00 C ATOM 1070 CG ASN A 66 23.289 -7.882 -7.950 1.00 0.00 C ATOM 1071 OD1 ASN A 66 24.462 -7.929 -7.577 1.00 0.00 O ATOM 1072 ND2 ASN A 66 22.323 -7.406 -7.183 1.00 0.00 N ATOM 0 H ASN A 66 21.047 -9.757 -10.706 1.00 0.00 H new ATOM 0 HA ASN A 66 23.727 -10.303 -9.532 1.00 0.00 H new ATOM 0 HB2 ASN A 66 23.621 -8.003 -10.058 1.00 0.00 H new ATOM 0 HB3 ASN A 66 21.933 -7.875 -9.603 1.00 0.00 H new ATOM 0 HD21 ASN A 66 22.538 -7.061 -6.247 1.00 0.00 H new ATOM 0 HD22 ASN A 66 21.363 -7.383 -7.527 1.00 0.00 H new ATOM 1079 N LYS A 67 22.751 -10.612 -7.148 1.00 0.00 N ATOM 1080 CA LYS A 67 22.247 -11.278 -5.943 1.00 0.00 C ATOM 1081 C LYS A 67 20.930 -10.680 -5.430 1.00 0.00 C ATOM 1082 O LYS A 67 20.033 -11.419 -5.024 1.00 0.00 O ATOM 1083 CB LYS A 67 23.300 -11.212 -4.833 1.00 0.00 C ATOM 1084 CG LYS A 67 23.830 -9.808 -4.581 1.00 0.00 C ATOM 1085 CD LYS A 67 24.635 -9.724 -3.294 1.00 0.00 C ATOM 1086 CE LYS A 67 23.754 -9.929 -2.072 1.00 0.00 C ATOM 1087 NZ LYS A 67 24.494 -9.679 -0.808 1.00 0.00 N ATOM 0 H LYS A 67 23.700 -10.249 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 67 22.045 -12.313 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 67 22.868 -11.600 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 67 24.133 -11.865 -5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 67 24.455 -9.501 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.995 -9.109 -4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.423 -10.477 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.124 -8.752 -3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.894 -9.261 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.366 -10.948 -2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.859 -9.829 0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 25.300 -10.333 -0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.842 -8.699 -0.798 1.00 0.00 H new ATOM 1101 N ALA A 68 20.815 -9.355 -5.473 1.00 0.00 N ATOM 1102 CA ALA A 68 19.705 -8.649 -4.829 1.00 0.00 C ATOM 1103 C ALA A 68 18.347 -9.134 -5.325 1.00 0.00 C ATOM 1104 O ALA A 68 17.464 -9.450 -4.525 1.00 0.00 O ATOM 1105 CB ALA A 68 19.835 -7.149 -5.044 1.00 0.00 C ATOM 0 H ALA A 68 21.479 -8.744 -5.949 1.00 0.00 H new ATOM 0 HA ALA A 68 19.761 -8.868 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 68 19.003 -6.639 -4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 68 20.774 -6.800 -4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 68 19.821 -6.932 -6.112 1.00 0.00 H new ATOM 1111 N GLU A 69 18.189 -9.197 -6.641 1.00 0.00 N ATOM 1112 CA GLU A 69 16.934 -9.625 -7.242 1.00 0.00 C ATOM 1113 C GLU A 69 16.568 -11.038 -6.800 1.00 0.00 C ATOM 1114 O GLU A 69 15.434 -11.278 -6.396 1.00 0.00 O ATOM 1115 CB GLU A 69 16.973 -9.533 -8.778 1.00 0.00 C ATOM 1116 CG GLU A 69 18.368 -9.441 -9.386 1.00 0.00 C ATOM 1117 CD GLU A 69 19.006 -8.077 -9.194 1.00 0.00 C ATOM 1118 OE1 GLU A 69 18.634 -7.135 -9.917 1.00 0.00 O ATOM 1119 OE2 GLU A 69 19.877 -7.940 -8.310 1.00 0.00 O ATOM 0 H GLU A 69 18.917 -8.956 -7.314 1.00 0.00 H new ATOM 0 HA GLU A 69 16.161 -8.942 -6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 69 16.470 -10.407 -9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 69 16.400 -8.659 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.006 -10.202 -8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.310 -9.663 -10.452 1.00 0.00 H new ATOM 1126 N HIS A 70 17.536 -11.958 -6.852 1.00 0.00 N ATOM 1127 CA HIS A 70 17.316 -13.338 -6.412 1.00 0.00 C ATOM 1128 C HIS A 70 16.691 -13.373 -5.026 1.00 0.00 C ATOM 1129 O HIS A 70 15.671 -14.031 -4.806 1.00 0.00 O ATOM 1130 CB HIS A 70 18.634 -14.121 -6.368 1.00 0.00 C ATOM 1131 CG HIS A 70 19.220 -14.433 -7.707 1.00 0.00 C ATOM 1132 ND1 HIS A 70 18.907 -15.569 -8.419 1.00 0.00 N ATOM 1133 CD2 HIS A 70 20.129 -13.766 -8.452 1.00 0.00 C ATOM 1134 CE1 HIS A 70 19.600 -15.587 -9.540 1.00 0.00 C ATOM 1135 NE2 HIS A 70 20.351 -14.504 -9.588 1.00 0.00 N ATOM 0 H HIS A 70 18.479 -11.772 -7.194 1.00 0.00 H new ATOM 0 HA HIS A 70 16.641 -13.799 -7.133 1.00 0.00 H new ATOM 0 HB2 HIS A 70 19.362 -13.549 -5.792 1.00 0.00 H new ATOM 0 HB3 HIS A 70 18.468 -15.056 -5.832 1.00 0.00 H new ATOM 0 HD2 HIS A 70 20.595 -12.825 -8.200 1.00 0.00 H new ATOM 0 HE1 HIS A 70 19.560 -16.360 -10.293 1.00 0.00 H new ATOM 0 HE2 HIS A 70 20.990 -14.256 -10.343 1.00 0.00 H new ATOM 1144 N GLU A 71 17.303 -12.642 -4.105 1.00 0.00 N ATOM 1145 CA GLU A 71 16.869 -12.636 -2.719 1.00 0.00 C ATOM 1146 C GLU A 71 15.444 -12.109 -2.603 1.00 0.00 C ATOM 1147 O GLU A 71 14.618 -12.675 -1.886 1.00 0.00 O ATOM 1148 CB GLU A 71 17.815 -11.790 -1.863 1.00 0.00 C ATOM 1149 CG GLU A 71 19.286 -12.124 -2.060 1.00 0.00 C ATOM 1150 CD GLU A 71 19.616 -13.569 -1.742 1.00 0.00 C ATOM 1151 OE1 GLU A 71 19.239 -14.458 -2.529 1.00 0.00 O ATOM 1152 OE2 GLU A 71 20.275 -13.819 -0.713 1.00 0.00 O ATOM 0 H GLU A 71 18.106 -12.043 -4.296 1.00 0.00 H new ATOM 0 HA GLU A 71 16.890 -13.662 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.657 -10.737 -2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.559 -11.926 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 71 19.565 -11.913 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.888 -11.472 -1.427 1.00 0.00 H new ATOM 1159 N SER A 72 15.161 -11.034 -3.326 1.00 0.00 N ATOM 1160 CA SER A 72 13.839 -10.429 -3.310 1.00 0.00 C ATOM 1161 C SER A 72 12.792 -11.401 -3.855 1.00 0.00 C ATOM 1162 O SER A 72 11.722 -11.565 -3.273 1.00 0.00 O ATOM 1163 CB SER A 72 13.849 -9.145 -4.141 1.00 0.00 C ATOM 1164 OG SER A 72 14.879 -8.268 -3.709 1.00 0.00 O ATOM 0 H SER A 72 15.832 -10.563 -3.932 1.00 0.00 H new ATOM 0 HA SER A 72 13.578 -10.189 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.992 -9.390 -5.193 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.883 -8.646 -4.058 1.00 0.00 H new ATOM 0 HG SER A 72 15.746 -8.603 -4.020 1.00 0.00 H new ATOM 1170 N ILE A 73 13.135 -12.057 -4.960 1.00 0.00 N ATOM 1171 CA ILE A 73 12.238 -12.988 -5.639 1.00 0.00 C ATOM 1172 C ILE A 73 11.684 -14.048 -4.683 1.00 0.00 C ATOM 1173 O ILE A 73 10.466 -14.166 -4.499 1.00 0.00 O ATOM 1174 CB ILE A 73 12.970 -13.692 -6.808 1.00 0.00 C ATOM 1175 CG1 ILE A 73 13.331 -12.681 -7.899 1.00 0.00 C ATOM 1176 CG2 ILE A 73 12.121 -14.814 -7.387 1.00 0.00 C ATOM 1177 CD1 ILE A 73 14.285 -13.229 -8.940 1.00 0.00 C ATOM 0 H ILE A 73 14.045 -11.958 -5.411 1.00 0.00 H new ATOM 0 HA ILE A 73 11.404 -12.402 -6.024 1.00 0.00 H new ATOM 0 HB ILE A 73 13.889 -14.129 -6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.418 -12.350 -8.393 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.778 -11.802 -7.435 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.659 -15.292 -8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.913 -15.551 -6.611 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.182 -14.405 -7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.496 -12.458 -9.681 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.214 -13.533 -8.458 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.832 -14.090 -9.431 1.00 0.00 H new ATOM 1189 N ILE A 74 12.575 -14.802 -4.058 1.00 0.00 N ATOM 1190 CA ILE A 74 12.146 -15.935 -3.254 1.00 0.00 C ATOM 1191 C ILE A 74 11.558 -15.471 -1.921 1.00 0.00 C ATOM 1192 O ILE A 74 10.770 -16.181 -1.300 1.00 0.00 O ATOM 1193 CB ILE A 74 13.284 -16.945 -3.012 1.00 0.00 C ATOM 1194 CG1 ILE A 74 14.372 -16.807 -4.082 1.00 0.00 C ATOM 1195 CG2 ILE A 74 12.712 -18.352 -3.039 1.00 0.00 C ATOM 1196 CD1 ILE A 74 15.555 -17.731 -3.881 1.00 0.00 C ATOM 0 H ILE A 74 13.584 -14.654 -4.090 1.00 0.00 H new ATOM 0 HA ILE A 74 11.370 -16.446 -3.823 1.00 0.00 H new ATOM 0 HB ILE A 74 13.735 -16.744 -2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 74 13.932 -17.004 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 74 14.727 -15.776 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 74 13.511 -19.073 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.959 -18.454 -2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.255 -18.540 -4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 74 16.280 -17.572 -4.679 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.022 -17.520 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 74 15.215 -18.767 -3.900 1.00 0.00 H new ATOM 1208 N SER A 75 11.916 -14.261 -1.499 1.00 0.00 N ATOM 1209 CA SER A 75 11.335 -13.679 -0.292 1.00 0.00 C ATOM 1210 C SER A 75 9.875 -13.305 -0.523 1.00 0.00 C ATOM 1211 O SER A 75 9.088 -13.216 0.422 1.00 0.00 O ATOM 1212 CB SER A 75 12.128 -12.452 0.151 1.00 0.00 C ATOM 1213 OG SER A 75 13.456 -12.805 0.491 1.00 0.00 O ATOM 0 H SER A 75 12.600 -13.669 -1.970 1.00 0.00 H new ATOM 0 HA SER A 75 11.381 -14.427 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.138 -11.712 -0.649 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.640 -11.988 1.008 1.00 0.00 H new ATOM 0 HG SER A 75 13.944 -13.063 -0.319 1.00 0.00 H new ATOM 1219 N ASN A 76 9.519 -13.084 -1.782 1.00 0.00 N ATOM 1220 CA ASN A 76 8.139 -12.797 -2.143 1.00 0.00 C ATOM 1221 C ASN A 76 7.355 -14.091 -2.279 1.00 0.00 C ATOM 1222 O ASN A 76 6.151 -14.127 -2.039 1.00 0.00 O ATOM 1223 CB ASN A 76 8.066 -11.994 -3.447 1.00 0.00 C ATOM 1224 CG ASN A 76 8.684 -10.612 -3.320 1.00 0.00 C ATOM 1225 OD1 ASN A 76 9.196 -10.057 -4.290 1.00 0.00 O ATOM 1226 ND2 ASN A 76 8.640 -10.049 -2.123 1.00 0.00 N ATOM 0 H ASN A 76 10.167 -13.098 -2.569 1.00 0.00 H new ATOM 0 HA ASN A 76 7.698 -12.194 -1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.577 -12.545 -4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.024 -11.895 -3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.040 -9.122 -1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.206 -10.543 -1.343 1.00 0.00 H new ATOM 1233 N LEU A 77 8.049 -15.156 -2.673 1.00 0.00 N ATOM 1234 CA LEU A 77 7.440 -16.482 -2.732 1.00 0.00 C ATOM 1235 C LEU A 77 7.111 -16.993 -1.328 1.00 0.00 C ATOM 1236 O LEU A 77 6.084 -17.640 -1.111 1.00 0.00 O ATOM 1237 CB LEU A 77 8.378 -17.466 -3.430 1.00 0.00 C ATOM 1238 CG LEU A 77 7.895 -18.919 -3.454 1.00 0.00 C ATOM 1239 CD1 LEU A 77 6.664 -19.067 -4.335 1.00 0.00 C ATOM 1240 CD2 LEU A 77 9.007 -19.838 -3.925 1.00 0.00 C ATOM 0 H LEU A 77 9.029 -15.127 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 77 6.514 -16.403 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.530 -17.133 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.349 -17.430 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 77 7.618 -19.205 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.340 -20.108 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.862 -18.438 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.906 -18.762 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.648 -20.867 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.316 -19.550 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.857 -19.758 -3.247 1.00 0.00 H new ATOM 1252 N GLY A 78 7.992 -16.701 -0.383 1.00 0.00 N ATOM 1253 CA GLY A 78 7.781 -17.118 0.987 1.00 0.00 C ATOM 1254 C GLY A 78 9.027 -17.727 1.593 1.00 0.00 C ATOM 1255 O GLY A 78 9.553 -17.217 2.584 1.00 0.00 O ATOM 0 H GLY A 78 8.854 -16.180 -0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.470 -16.260 1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.968 -17.843 1.024 1.00 0.00 H new ATOM 1259 N ARG A 79 9.495 -18.817 0.995 1.00 0.00 N ATOM 1260 CA ARG A 79 10.717 -19.470 1.445 1.00 0.00 C ATOM 1261 C ARG A 79 11.908 -18.553 1.210 1.00 0.00 C ATOM 1262 O ARG A 79 12.317 -18.326 0.073 1.00 0.00 O ATOM 1263 CB ARG A 79 10.918 -20.806 0.724 1.00 0.00 C ATOM 1264 CG ARG A 79 12.122 -21.597 1.219 1.00 0.00 C ATOM 1265 CD ARG A 79 12.151 -22.989 0.611 1.00 0.00 C ATOM 1266 NE ARG A 79 13.322 -23.762 1.028 1.00 0.00 N ATOM 1267 CZ ARG A 79 13.386 -25.093 0.980 1.00 0.00 C ATOM 1268 NH1 ARG A 79 12.339 -25.796 0.564 1.00 0.00 N ATOM 1269 NH2 ARG A 79 14.496 -25.715 1.345 1.00 0.00 N ATOM 0 H ARG A 79 9.046 -19.267 0.197 1.00 0.00 H new ATOM 0 HA ARG A 79 10.631 -19.674 2.512 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.021 -21.413 0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.032 -20.618 -0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.039 -21.066 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.089 -21.672 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.246 -23.525 0.897 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.143 -22.907 -0.476 1.00 0.00 H new ATOM 0 HE ARG A 79 14.135 -23.254 1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.484 -25.318 0.280 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.390 -26.814 0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.302 -25.176 1.663 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.546 -26.733 1.309 1.00 0.00 H new ATOM 1283 N ASN A 80 12.441 -18.018 2.292 1.00 0.00 N ATOM 1284 CA ASN A 80 13.516 -17.042 2.218 1.00 0.00 C ATOM 1285 C ASN A 80 14.777 -17.640 1.607 1.00 0.00 C ATOM 1286 O ASN A 80 15.124 -18.794 1.861 1.00 0.00 O ATOM 1287 CB ASN A 80 13.808 -16.468 3.606 1.00 0.00 C ATOM 1288 CG ASN A 80 12.728 -15.508 4.072 1.00 0.00 C ATOM 1289 OD1 ASN A 80 12.416 -15.435 5.260 1.00 0.00 O ATOM 1290 ND2 ASN A 80 12.151 -14.758 3.142 1.00 0.00 N ATOM 0 H ASN A 80 12.145 -18.244 3.241 1.00 0.00 H new ATOM 0 HA ASN A 80 13.188 -16.234 1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.899 -17.284 4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 80 14.767 -15.951 3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.423 -14.093 3.402 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.436 -14.846 2.167 1.00 0.00 H new ATOM 1297 N PRO A 81 15.484 -16.835 0.800 1.00 0.00 N ATOM 1298 CA PRO A 81 16.687 -17.265 0.075 1.00 0.00 C ATOM 1299 C PRO A 81 17.851 -17.574 1.008 1.00 0.00 C ATOM 1300 O PRO A 81 18.883 -18.080 0.579 1.00 0.00 O ATOM 1301 CB PRO A 81 17.020 -16.056 -0.801 1.00 0.00 C ATOM 1302 CG PRO A 81 16.428 -14.902 -0.074 1.00 0.00 C ATOM 1303 CD PRO A 81 15.164 -15.423 0.532 1.00 0.00 C ATOM 0 HA PRO A 81 16.517 -18.186 -0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.097 -15.939 -0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.594 -16.158 -1.799 1.00 0.00 H new ATOM 0 HG2 PRO A 81 17.107 -14.530 0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.226 -14.072 -0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.903 -14.888 1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.319 -15.323 -0.149 1.00 0.00 H new ATOM 1311 N SER A 82 17.673 -17.268 2.287 1.00 0.00 N ATOM 1312 CA SER A 82 18.689 -17.523 3.299 1.00 0.00 C ATOM 1313 C SER A 82 18.939 -19.023 3.450 1.00 0.00 C ATOM 1314 O SER A 82 19.960 -19.449 3.996 1.00 0.00 O ATOM 1315 CB SER A 82 18.236 -16.921 4.626 1.00 0.00 C ATOM 1316 OG SER A 82 17.803 -15.583 4.441 1.00 0.00 O ATOM 0 H SER A 82 16.823 -16.837 2.651 1.00 0.00 H new ATOM 0 HA SER A 82 19.626 -17.059 2.991 1.00 0.00 H new ATOM 0 HB2 SER A 82 17.426 -17.517 5.045 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.056 -16.948 5.344 1.00 0.00 H new ATOM 0 HG SER A 82 17.514 -15.211 5.300 1.00 0.00 H new ATOM 1322 N ASP A 83 17.997 -19.817 2.956 1.00 0.00 N ATOM 1323 CA ASP A 83 18.122 -21.269 2.984 1.00 0.00 C ATOM 1324 C ASP A 83 19.098 -21.737 1.905 1.00 0.00 C ATOM 1325 O ASP A 83 19.664 -22.828 1.986 1.00 0.00 O ATOM 1326 CB ASP A 83 16.746 -21.913 2.779 1.00 0.00 C ATOM 1327 CG ASP A 83 16.770 -23.423 2.898 1.00 0.00 C ATOM 1328 OD1 ASP A 83 16.998 -23.934 4.013 1.00 0.00 O ATOM 1329 OD2 ASP A 83 16.531 -24.108 1.883 1.00 0.00 O ATOM 0 H ASP A 83 17.135 -19.478 2.529 1.00 0.00 H new ATOM 0 HA ASP A 83 18.512 -21.574 3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.050 -21.508 3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.367 -21.639 1.795 1.00 0.00 H new ATOM 1334 N PHE A 84 19.316 -20.883 0.910 1.00 0.00 N ATOM 1335 CA PHE A 84 20.177 -21.208 -0.216 1.00 0.00 C ATOM 1336 C PHE A 84 21.446 -20.359 -0.166 1.00 0.00 C ATOM 1337 O PHE A 84 21.397 -19.143 -0.332 1.00 0.00 O ATOM 1338 CB PHE A 84 19.433 -20.966 -1.533 1.00 0.00 C ATOM 1339 CG PHE A 84 18.055 -21.569 -1.564 1.00 0.00 C ATOM 1340 CD1 PHE A 84 17.883 -22.933 -1.734 1.00 0.00 C ATOM 1341 CD2 PHE A 84 16.932 -20.770 -1.416 1.00 0.00 C ATOM 1342 CE1 PHE A 84 16.619 -23.488 -1.757 1.00 0.00 C ATOM 1343 CE2 PHE A 84 15.665 -21.320 -1.439 1.00 0.00 C ATOM 1344 CZ PHE A 84 15.509 -22.682 -1.607 1.00 0.00 C ATOM 0 H PHE A 84 18.902 -19.952 0.863 1.00 0.00 H new ATOM 0 HA PHE A 84 20.454 -22.260 -0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 84 19.355 -19.892 -1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 84 20.020 -21.378 -2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 84 18.748 -23.570 -1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 84 17.049 -19.705 -1.281 1.00 0.00 H new ATOM 0 HE1 PHE A 84 16.499 -24.553 -1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 84 14.798 -20.686 -1.326 1.00 0.00 H new ATOM 0 HZ PHE A 84 14.520 -23.115 -1.621 1.00 0.00 H new ATOM 1354 N LYS A 85 22.579 -21.006 0.070 1.00 0.00 N ATOM 1355 CA LYS A 85 23.838 -20.296 0.272 1.00 0.00 C ATOM 1356 C LYS A 85 24.477 -19.877 -1.049 1.00 0.00 C ATOM 1357 O LYS A 85 25.080 -18.808 -1.140 1.00 0.00 O ATOM 1358 CB LYS A 85 24.811 -21.170 1.066 1.00 0.00 C ATOM 1359 CG LYS A 85 24.278 -21.590 2.425 1.00 0.00 C ATOM 1360 CD LYS A 85 25.282 -22.440 3.184 1.00 0.00 C ATOM 1361 CE LYS A 85 26.539 -21.653 3.525 1.00 0.00 C ATOM 1362 NZ LYS A 85 27.543 -22.489 4.227 1.00 0.00 N ATOM 0 H LYS A 85 22.654 -22.022 0.127 1.00 0.00 H new ATOM 0 HA LYS A 85 23.616 -19.389 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 85 25.043 -22.062 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 85 25.746 -20.627 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 85 24.036 -20.703 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.352 -22.150 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 85 24.825 -22.812 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 85 25.549 -23.311 2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 85 26.976 -21.253 2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 85 26.275 -20.801 4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 28.384 -21.915 4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 27.135 -22.850 5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 27.815 -23.288 3.620 1.00 0.00 H new ATOM 1376 N ASN A 86 24.344 -20.713 -2.070 1.00 0.00 N ATOM 1377 CA ASN A 86 24.977 -20.444 -3.356 1.00 0.00 C ATOM 1378 C ASN A 86 23.935 -20.024 -4.392 1.00 0.00 C ATOM 1379 O ASN A 86 22.732 -20.212 -4.189 1.00 0.00 O ATOM 1380 CB ASN A 86 25.751 -21.677 -3.837 1.00 0.00 C ATOM 1381 CG ASN A 86 26.664 -21.383 -5.018 1.00 0.00 C ATOM 1382 OD1 ASN A 86 27.200 -20.280 -5.148 1.00 0.00 O ATOM 1383 ND2 ASN A 86 26.828 -22.354 -5.898 1.00 0.00 N ATOM 0 H ASN A 86 23.806 -21.579 -2.034 1.00 0.00 H new ATOM 0 HA ASN A 86 25.681 -19.622 -3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 86 26.347 -22.069 -3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 86 25.043 -22.457 -4.118 1.00 0.00 H new ATOM 0 HD21 ASN A 86 27.414 -22.204 -6.719 1.00 0.00 H new ATOM 0 HD22 ASN A 86 26.368 -23.253 -5.757 1.00 0.00 H new ATOM 1390 N ALA A 87 24.403 -19.445 -5.493 1.00 0.00 N ATOM 1391 CA ALA A 87 23.526 -18.942 -6.545 1.00 0.00 C ATOM 1392 C ALA A 87 22.748 -20.067 -7.222 1.00 0.00 C ATOM 1393 O ALA A 87 21.598 -19.879 -7.611 1.00 0.00 O ATOM 1394 CB ALA A 87 24.336 -18.172 -7.579 1.00 0.00 C ATOM 0 H ALA A 87 25.397 -19.311 -5.681 1.00 0.00 H new ATOM 0 HA ALA A 87 22.802 -18.273 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 87 23.671 -17.801 -8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 87 24.835 -17.331 -7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 87 25.082 -18.832 -8.021 1.00 0.00 H new ATOM 1400 N ASP A 88 23.370 -21.234 -7.342 1.00 0.00 N ATOM 1401 CA ASP A 88 22.763 -22.357 -8.057 1.00 0.00 C ATOM 1402 C ASP A 88 21.493 -22.836 -7.357 1.00 0.00 C ATOM 1403 O ASP A 88 20.457 -23.013 -7.998 1.00 0.00 O ATOM 1404 CB ASP A 88 23.765 -23.514 -8.224 1.00 0.00 C ATOM 1405 CG ASP A 88 24.206 -24.140 -6.911 1.00 0.00 C ATOM 1406 OD1 ASP A 88 24.268 -23.423 -5.891 1.00 0.00 O ATOM 1407 OD2 ASP A 88 24.503 -25.354 -6.901 1.00 0.00 O ATOM 0 H ASP A 88 24.293 -21.430 -6.955 1.00 0.00 H new ATOM 0 HA ASP A 88 22.486 -22.004 -9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 88 23.314 -24.285 -8.850 1.00 0.00 H new ATOM 0 HB3 ASP A 88 24.644 -23.147 -8.754 1.00 0.00 H new ATOM 1412 N GLU A 89 21.570 -23.018 -6.044 1.00 0.00 N ATOM 1413 CA GLU A 89 20.413 -23.413 -5.246 1.00 0.00 C ATOM 1414 C GLU A 89 19.299 -22.372 -5.351 1.00 0.00 C ATOM 1415 O GLU A 89 18.116 -22.714 -5.408 1.00 0.00 O ATOM 1416 CB GLU A 89 20.825 -23.604 -3.786 1.00 0.00 C ATOM 1417 CG GLU A 89 21.789 -24.758 -3.572 1.00 0.00 C ATOM 1418 CD GLU A 89 21.156 -26.107 -3.848 1.00 0.00 C ATOM 1419 OE1 GLU A 89 21.121 -26.531 -5.023 1.00 0.00 O ATOM 1420 OE2 GLU A 89 20.694 -26.759 -2.886 1.00 0.00 O ATOM 0 H GLU A 89 22.428 -22.898 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 89 20.032 -24.358 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 89 21.286 -22.685 -3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 89 19.932 -23.771 -3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 89 22.655 -24.628 -4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 89 22.154 -24.736 -2.545 1.00 0.00 H new ATOM 1427 N ARG A 90 19.691 -21.101 -5.381 1.00 0.00 N ATOM 1428 CA ARG A 90 18.744 -20.005 -5.576 1.00 0.00 C ATOM 1429 C ARG A 90 18.003 -20.171 -6.897 1.00 0.00 C ATOM 1430 O ARG A 90 16.773 -20.147 -6.948 1.00 0.00 O ATOM 1431 CB ARG A 90 19.473 -18.658 -5.585 1.00 0.00 C ATOM 1432 CG ARG A 90 19.950 -18.178 -4.227 1.00 0.00 C ATOM 1433 CD ARG A 90 20.871 -16.979 -4.382 1.00 0.00 C ATOM 1434 NE ARG A 90 21.067 -16.252 -3.134 1.00 0.00 N ATOM 1435 CZ ARG A 90 22.196 -16.263 -2.429 1.00 0.00 C ATOM 1436 NH1 ARG A 90 23.212 -17.033 -2.798 1.00 0.00 N ATOM 1437 NH2 ARG A 90 22.310 -15.501 -1.352 1.00 0.00 N ATOM 0 H ARG A 90 20.661 -20.803 -5.273 1.00 0.00 H new ATOM 0 HA ARG A 90 18.032 -20.028 -4.751 1.00 0.00 H new ATOM 0 HB2 ARG A 90 20.333 -18.732 -6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.808 -17.905 -6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 90 19.094 -17.909 -3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 90 20.475 -18.984 -3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 90 21.838 -17.315 -4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 90 20.457 -16.303 -5.130 1.00 0.00 H new ATOM 0 HE ARG A 90 20.288 -15.699 -2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 90 23.131 -17.622 -3.627 1.00 0.00 H new ATOM 0 HH12 ARG A 90 24.074 -17.036 -2.253 1.00 0.00 H new ATOM 0 HH21 ARG A 90 21.533 -14.906 -1.063 1.00 0.00 H new ATOM 0 HH22 ARG A 90 23.175 -15.509 -0.811 1.00 0.00 H new ATOM 1451 N ILE A 91 18.773 -20.348 -7.962 1.00 0.00 N ATOM 1452 CA ILE A 91 18.231 -20.460 -9.307 1.00 0.00 C ATOM 1453 C ILE A 91 17.371 -21.710 -9.454 1.00 0.00 C ATOM 1454 O ILE A 91 16.270 -21.651 -10.002 1.00 0.00 O ATOM 1455 CB ILE A 91 19.371 -20.479 -10.349 1.00 0.00 C ATOM 1456 CG1 ILE A 91 20.165 -19.174 -10.268 1.00 0.00 C ATOM 1457 CG2 ILE A 91 18.824 -20.686 -11.754 1.00 0.00 C ATOM 1458 CD1 ILE A 91 21.429 -19.180 -11.094 1.00 0.00 C ATOM 0 H ILE A 91 19.790 -20.418 -7.917 1.00 0.00 H new ATOM 0 HA ILE A 91 17.601 -19.589 -9.484 1.00 0.00 H new ATOM 0 HB ILE A 91 20.034 -21.315 -10.125 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.530 -18.352 -10.598 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.423 -18.980 -9.227 1.00 0.00 H new ATOM 0 HG21 ILE A 91 19.648 -20.695 -12.468 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.292 -21.636 -11.801 1.00 0.00 H new ATOM 0 HG23 ILE A 91 18.139 -19.875 -12.001 1.00 0.00 H new ATOM 0 HD11 ILE A 91 21.938 -18.222 -10.987 1.00 0.00 H new ATOM 0 HD12 ILE A 91 22.085 -19.980 -10.750 1.00 0.00 H new ATOM 0 HD13 ILE A 91 21.178 -19.342 -12.142 1.00 0.00 H new ATOM 1470 N ALA A 92 17.867 -22.826 -8.935 1.00 0.00 N ATOM 1471 CA ALA A 92 17.165 -24.100 -9.029 1.00 0.00 C ATOM 1472 C ALA A 92 15.762 -24.007 -8.443 1.00 0.00 C ATOM 1473 O ALA A 92 14.806 -24.531 -9.012 1.00 0.00 O ATOM 1474 CB ALA A 92 17.956 -25.187 -8.322 1.00 0.00 C ATOM 0 H ALA A 92 18.758 -22.874 -8.442 1.00 0.00 H new ATOM 0 HA ALA A 92 17.071 -24.353 -10.085 1.00 0.00 H new ATOM 0 HB1 ALA A 92 17.422 -26.134 -8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 92 18.937 -25.285 -8.788 1.00 0.00 H new ATOM 0 HB3 ALA A 92 18.078 -24.923 -7.271 1.00 0.00 H new ATOM 1480 N TYR A 93 15.637 -23.318 -7.316 1.00 0.00 N ATOM 1481 CA TYR A 93 14.354 -23.207 -6.639 1.00 0.00 C ATOM 1482 C TYR A 93 13.409 -22.283 -7.405 1.00 0.00 C ATOM 1483 O TYR A 93 12.198 -22.514 -7.443 1.00 0.00 O ATOM 1484 CB TYR A 93 14.546 -22.709 -5.207 1.00 0.00 C ATOM 1485 CG TYR A 93 13.345 -22.956 -4.324 1.00 0.00 C ATOM 1486 CD1 TYR A 93 13.054 -24.236 -3.872 1.00 0.00 C ATOM 1487 CD2 TYR A 93 12.504 -21.919 -3.944 1.00 0.00 C ATOM 1488 CE1 TYR A 93 11.961 -24.478 -3.065 1.00 0.00 C ATOM 1489 CE2 TYR A 93 11.408 -22.154 -3.135 1.00 0.00 C ATOM 1490 CZ TYR A 93 11.141 -23.434 -2.701 1.00 0.00 C ATOM 1491 OH TYR A 93 10.049 -23.673 -1.898 1.00 0.00 O ATOM 0 H TYR A 93 16.405 -22.830 -6.854 1.00 0.00 H new ATOM 0 HA TYR A 93 13.903 -24.199 -6.604 1.00 0.00 H new ATOM 0 HB2 TYR A 93 15.416 -23.201 -4.772 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.761 -21.641 -5.227 1.00 0.00 H new ATOM 0 HD1 TYR A 93 13.695 -25.057 -4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 93 12.709 -20.915 -4.285 1.00 0.00 H new ATOM 0 HE1 TYR A 93 11.750 -25.480 -2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 93 10.764 -21.337 -2.844 1.00 0.00 H new ATOM 0 HH TYR A 93 9.574 -22.832 -1.732 1.00 0.00 H new ATOM 1501 N ILE A 94 13.958 -21.244 -8.025 1.00 0.00 N ATOM 1502 CA ILE A 94 13.152 -20.330 -8.830 1.00 0.00 C ATOM 1503 C ILE A 94 12.634 -21.048 -10.078 1.00 0.00 C ATOM 1504 O ILE A 94 11.467 -20.907 -10.449 1.00 0.00 O ATOM 1505 CB ILE A 94 13.944 -19.060 -9.233 1.00 0.00 C ATOM 1506 CG1 ILE A 94 14.431 -18.312 -7.982 1.00 0.00 C ATOM 1507 CG2 ILE A 94 13.079 -18.146 -10.093 1.00 0.00 C ATOM 1508 CD1 ILE A 94 15.274 -17.084 -8.280 1.00 0.00 C ATOM 0 H ILE A 94 14.951 -21.014 -7.987 1.00 0.00 H new ATOM 0 HA ILE A 94 12.308 -20.009 -8.219 1.00 0.00 H new ATOM 0 HB ILE A 94 14.814 -19.365 -9.815 1.00 0.00 H new ATOM 0 HG12 ILE A 94 13.565 -18.010 -7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 94 15.013 -18.998 -7.366 1.00 0.00 H new ATOM 0 HG21 ILE A 94 13.649 -17.259 -10.368 1.00 0.00 H new ATOM 0 HG22 ILE A 94 12.775 -18.676 -10.996 1.00 0.00 H new ATOM 0 HG23 ILE A 94 12.193 -17.849 -9.531 1.00 0.00 H new ATOM 0 HD11 ILE A 94 15.577 -16.615 -7.344 1.00 0.00 H new ATOM 0 HD12 ILE A 94 16.161 -17.379 -8.842 1.00 0.00 H new ATOM 0 HD13 ILE A 94 14.690 -16.376 -8.869 1.00 0.00 H new ATOM 1520 N LEU A 95 13.501 -21.844 -10.698 1.00 0.00 N ATOM 1521 CA LEU A 95 13.117 -22.652 -11.855 1.00 0.00 C ATOM 1522 C LEU A 95 12.099 -23.715 -11.458 1.00 0.00 C ATOM 1523 O LEU A 95 11.161 -24.002 -12.202 1.00 0.00 O ATOM 1524 CB LEU A 95 14.347 -23.320 -12.484 1.00 0.00 C ATOM 1525 CG LEU A 95 15.068 -22.505 -13.567 1.00 0.00 C ATOM 1526 CD1 LEU A 95 14.166 -22.315 -14.774 1.00 0.00 C ATOM 1527 CD2 LEU A 95 15.519 -21.156 -13.029 1.00 0.00 C ATOM 0 H LEU A 95 14.477 -21.948 -10.419 1.00 0.00 H new ATOM 0 HA LEU A 95 12.663 -21.987 -12.590 1.00 0.00 H new ATOM 0 HB2 LEU A 95 15.060 -23.546 -11.691 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.039 -24.272 -12.917 1.00 0.00 H new ATOM 0 HG LEU A 95 15.954 -23.061 -13.873 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.691 -21.735 -15.533 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.896 -23.288 -15.183 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.263 -21.785 -14.473 1.00 0.00 H new ATOM 0 HD21 LEU A 95 16.026 -20.601 -13.818 1.00 0.00 H new ATOM 0 HD22 LEU A 95 14.651 -20.591 -12.689 1.00 0.00 H new ATOM 0 HD23 LEU A 95 16.203 -21.308 -12.194 1.00 0.00 H new ATOM 1539 N LYS A 96 12.292 -24.289 -10.275 1.00 0.00 N ATOM 1540 CA LYS A 96 11.378 -25.288 -9.736 1.00 0.00 C ATOM 1541 C LYS A 96 9.959 -24.733 -9.639 1.00 0.00 C ATOM 1542 O LYS A 96 8.979 -25.433 -9.910 1.00 0.00 O ATOM 1543 CB LYS A 96 11.855 -25.730 -8.348 1.00 0.00 C ATOM 1544 CG LYS A 96 10.964 -26.771 -7.694 1.00 0.00 C ATOM 1545 CD LYS A 96 11.355 -27.013 -6.246 1.00 0.00 C ATOM 1546 CE LYS A 96 10.480 -28.077 -5.605 1.00 0.00 C ATOM 1547 NZ LYS A 96 10.746 -29.426 -6.167 1.00 0.00 N ATOM 0 H LYS A 96 13.082 -24.076 -9.666 1.00 0.00 H new ATOM 0 HA LYS A 96 11.368 -26.144 -10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.865 -26.132 -8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.913 -24.856 -7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.926 -26.443 -7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.028 -27.706 -8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.400 -27.321 -6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.270 -26.083 -5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.655 -28.091 -4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.431 -27.822 -5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.258 -30.143 -5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.397 -29.469 -7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.769 -29.611 -6.156 1.00 0.00 H new ATOM 1561 N GLN A 97 9.855 -23.460 -9.277 1.00 0.00 N ATOM 1562 CA GLN A 97 8.562 -22.833 -9.056 1.00 0.00 C ATOM 1563 C GLN A 97 7.897 -22.420 -10.366 1.00 0.00 C ATOM 1564 O GLN A 97 6.738 -22.007 -10.376 1.00 0.00 O ATOM 1565 CB GLN A 97 8.705 -21.631 -8.125 1.00 0.00 C ATOM 1566 CG GLN A 97 8.014 -21.824 -6.784 1.00 0.00 C ATOM 1567 CD GLN A 97 8.564 -22.995 -5.985 1.00 0.00 C ATOM 1568 OE1 GLN A 97 7.835 -23.648 -5.241 1.00 0.00 O ATOM 1569 NE2 GLN A 97 9.855 -23.259 -6.111 1.00 0.00 N ATOM 0 H GLN A 97 10.653 -22.842 -9.131 1.00 0.00 H new ATOM 0 HA GLN A 97 7.916 -23.573 -8.583 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.764 -21.435 -7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.292 -20.749 -8.615 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.117 -20.912 -6.196 1.00 0.00 H new ATOM 0 HG3 GLN A 97 6.948 -21.977 -6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.432 -22.697 -6.737 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.273 -24.024 -5.582 1.00 0.00 H new ATOM 1578 N ILE A 98 8.620 -22.530 -11.470 1.00 0.00 N ATOM 1579 CA ILE A 98 8.024 -22.296 -12.778 1.00 0.00 C ATOM 1580 C ILE A 98 7.111 -23.458 -13.142 1.00 0.00 C ATOM 1581 O ILE A 98 5.979 -23.262 -13.586 1.00 0.00 O ATOM 1582 CB ILE A 98 9.092 -22.111 -13.880 1.00 0.00 C ATOM 1583 CG1 ILE A 98 9.951 -20.881 -13.584 1.00 0.00 C ATOM 1584 CG2 ILE A 98 8.436 -21.993 -15.253 1.00 0.00 C ATOM 1585 CD1 ILE A 98 10.915 -20.529 -14.696 1.00 0.00 C ATOM 0 H ILE A 98 9.609 -22.777 -11.488 1.00 0.00 H new ATOM 0 HA ILE A 98 7.449 -21.372 -12.716 1.00 0.00 H new ATOM 0 HB ILE A 98 9.737 -22.990 -13.888 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.297 -20.029 -13.399 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.515 -21.055 -12.668 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.206 -21.863 -16.014 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.867 -22.898 -15.463 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.767 -21.133 -15.264 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.489 -19.647 -14.414 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.594 -21.364 -14.867 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.357 -20.322 -15.609 1.00 0.00 H new ATOM 1597 N ASP A 99 7.601 -24.671 -12.909 1.00 0.00 N ATOM 1598 CA ASP A 99 6.847 -25.885 -13.214 1.00 0.00 C ATOM 1599 C ASP A 99 5.804 -26.156 -12.130 1.00 0.00 C ATOM 1600 O ASP A 99 4.891 -26.962 -12.307 1.00 0.00 O ATOM 1601 CB ASP A 99 7.804 -27.074 -13.345 1.00 0.00 C ATOM 1602 CG ASP A 99 7.090 -28.376 -13.644 1.00 0.00 C ATOM 1603 OD1 ASP A 99 6.447 -28.479 -14.712 1.00 0.00 O ATOM 1604 OD2 ASP A 99 7.167 -29.304 -12.813 1.00 0.00 O ATOM 0 H ASP A 99 8.523 -24.841 -12.507 1.00 0.00 H new ATOM 0 HA ASP A 99 6.326 -25.745 -14.161 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.523 -26.869 -14.138 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.371 -27.181 -12.420 1.00 0.00 H new