USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 570 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 47 SER OG : rot 180:sc= 0.00986 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -125:sc= 0.0123 (180deg=0) USER MOD Single : A 15 MET CE :methyl 171:sc= -0.0107 (180deg=-0.152) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.031) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -2.63 USER MOD Single : A 37 THR OG1 : rot -47:sc= 1.19 USER MOD Single : A 42 SER OG : rot -38:sc= 0.985 USER MOD Single : A 51 GLN : amide:sc= -0.108 K(o=-0.11,f=-2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc=-0.00623 X(o=-0.0062,f=-0.0033) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 79:sc= 0.0703 USER MOD Single : A 84 MET CE :methyl 166:sc= -0.0347 (180deg=-0.34) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0522 K(o=-0.052,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -3.209 8.445 10.917 1.00 0.00 N ATOM 2 CA MET A 15 -1.912 8.277 10.280 1.00 0.00 C ATOM 3 C MET A 15 -1.692 6.837 9.888 1.00 0.00 C ATOM 4 O MET A 15 -0.991 6.616 8.911 1.00 0.00 O ATOM 5 CB MET A 15 -0.766 8.758 11.205 1.00 0.00 C ATOM 6 CG MET A 15 -0.848 8.123 12.617 1.00 0.00 C ATOM 7 SD MET A 15 0.654 8.477 13.591 1.00 0.00 S ATOM 8 CE MET A 15 0.651 10.293 13.685 1.00 0.00 C ATOM 0 HA MET A 15 -1.905 8.891 9.380 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.193 8.509 10.752 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.804 9.844 11.294 1.00 0.00 H new ATOM 0 HG2 MET A 15 -1.723 8.508 13.141 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.979 7.045 12.526 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.421 10.622 14.383 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.854 10.709 12.698 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.324 10.638 14.031 1.00 0.00 H new ATOM 18 N ALA A 16 -2.281 5.849 10.606 1.00 0.00 N ATOM 19 CA ALA A 16 -2.126 4.469 10.171 1.00 0.00 C ATOM 20 C ALA A 16 -2.494 4.395 8.701 1.00 0.00 C ATOM 21 O ALA A 16 -1.686 3.848 7.964 1.00 0.00 O ATOM 22 CB ALA A 16 -2.866 3.440 11.074 1.00 0.00 C ATOM 0 H ALA A 16 -2.840 5.986 11.448 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.085 4.168 10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.704 2.434 10.687 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.479 3.504 12.091 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.934 3.660 11.077 1.00 0.00 H new ATOM 28 N PRO A 17 -3.640 4.925 8.189 1.00 0.00 N ATOM 29 CA PRO A 17 -3.913 4.798 6.765 1.00 0.00 C ATOM 30 C PRO A 17 -3.365 5.919 5.908 1.00 0.00 C ATOM 31 O PRO A 17 -3.226 5.685 4.716 1.00 0.00 O ATOM 32 CB PRO A 17 -5.448 4.897 6.794 1.00 0.00 C ATOM 33 CG PRO A 17 -5.713 5.915 7.925 1.00 0.00 C ATOM 34 CD PRO A 17 -4.661 5.578 9.003 1.00 0.00 C ATOM 0 HA PRO A 17 -3.464 3.904 6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.848 5.241 5.840 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.910 3.932 7.004 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.603 6.940 7.570 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.726 5.820 8.316 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.283 6.469 9.505 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.057 4.920 9.776 1.00 0.00 H new ATOM 42 N ALA A 18 -3.032 7.124 6.432 1.00 0.00 N ATOM 43 CA ALA A 18 -2.342 8.097 5.584 1.00 0.00 C ATOM 44 C ALA A 18 -1.206 7.376 4.897 1.00 0.00 C ATOM 45 O ALA A 18 -0.861 7.713 3.775 1.00 0.00 O ATOM 46 CB ALA A 18 -1.709 9.261 6.385 1.00 0.00 C ATOM 0 H ALA A 18 -3.222 7.425 7.388 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.079 8.514 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.213 9.947 5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.488 9.793 6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.980 8.863 7.090 1.00 0.00 H new ATOM 52 N LEU A 19 -0.627 6.363 5.585 1.00 0.00 N ATOM 53 CA LEU A 19 0.389 5.541 4.946 1.00 0.00 C ATOM 54 C LEU A 19 -0.219 4.962 3.677 1.00 0.00 C ATOM 55 O LEU A 19 0.255 5.372 2.630 1.00 0.00 O ATOM 56 CB LEU A 19 0.994 4.500 5.936 1.00 0.00 C ATOM 57 CG LEU A 19 2.501 4.160 5.722 1.00 0.00 C ATOM 58 CD1 LEU A 19 2.818 3.942 4.222 1.00 0.00 C ATOM 59 CD2 LEU A 19 3.452 5.214 6.351 1.00 0.00 C ATOM 0 H LEU A 19 -0.846 6.113 6.549 1.00 0.00 H new ATOM 0 HA LEU A 19 1.257 6.132 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.866 4.875 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.418 3.578 5.861 1.00 0.00 H new ATOM 0 HG LEU A 19 2.686 3.224 6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.876 3.707 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.218 3.116 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.584 4.849 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.487 4.924 6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.264 6.189 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.273 5.270 7.425 1.00 0.00 H new ATOM 71 N VAL A 20 -1.261 4.082 3.686 1.00 0.00 N ATOM 72 CA VAL A 20 -1.799 3.566 2.416 1.00 0.00 C ATOM 73 C VAL A 20 -1.978 4.689 1.410 1.00 0.00 C ATOM 74 O VAL A 20 -1.725 4.481 0.232 1.00 0.00 O ATOM 75 CB VAL A 20 -3.098 2.685 2.462 1.00 0.00 C ATOM 76 CG1 VAL A 20 -4.313 3.401 3.113 1.00 0.00 C ATOM 77 CG2 VAL A 20 -3.518 2.198 1.041 1.00 0.00 C ATOM 0 H VAL A 20 -1.722 3.733 4.527 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.026 2.861 2.111 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.829 1.834 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.174 2.732 3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.068 3.672 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.551 4.301 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.421 1.592 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.712 3.060 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.715 1.601 0.609 1.00 0.00 H new ATOM 87 N ALA A 21 -2.410 5.898 1.845 1.00 0.00 N ATOM 88 CA ALA A 21 -2.597 6.981 0.882 1.00 0.00 C ATOM 89 C ALA A 21 -1.279 7.386 0.252 1.00 0.00 C ATOM 90 O ALA A 21 -1.252 7.678 -0.933 1.00 0.00 O ATOM 91 CB ALA A 21 -3.256 8.237 1.510 1.00 0.00 C ATOM 0 H ALA A 21 -2.624 6.131 2.815 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.270 6.587 0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.370 9.008 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.236 7.973 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.626 8.614 2.316 1.00 0.00 H new ATOM 97 N ALA A 22 -0.176 7.417 1.033 1.00 0.00 N ATOM 98 CA ALA A 22 1.113 7.872 0.508 1.00 0.00 C ATOM 99 C ALA A 22 1.581 7.200 -0.771 1.00 0.00 C ATOM 100 O ALA A 22 2.414 7.813 -1.418 1.00 0.00 O ATOM 101 CB ALA A 22 2.225 7.682 1.568 1.00 0.00 C ATOM 0 H ALA A 22 -0.160 7.135 2.013 1.00 0.00 H new ATOM 0 HA ALA A 22 0.938 8.921 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.177 8.025 1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.981 8.260 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.301 6.627 1.830 1.00 0.00 H new ATOM 107 N PHE A 23 1.094 5.989 -1.149 1.00 0.00 N ATOM 108 CA PHE A 23 1.487 5.354 -2.423 1.00 0.00 C ATOM 109 C PHE A 23 0.264 4.896 -3.185 1.00 0.00 C ATOM 110 O PHE A 23 0.107 5.293 -4.329 1.00 0.00 O ATOM 111 CB PHE A 23 2.440 4.163 -2.175 1.00 0.00 C ATOM 112 CG PHE A 23 3.496 3.697 -3.188 1.00 0.00 C ATOM 113 CD1 PHE A 23 3.868 4.385 -4.362 1.00 0.00 C ATOM 114 CD2 PHE A 23 4.146 2.499 -2.874 1.00 0.00 C ATOM 115 CE1 PHE A 23 4.988 3.963 -5.078 1.00 0.00 C ATOM 116 CE2 PHE A 23 5.148 1.989 -3.702 1.00 0.00 C ATOM 117 CZ PHE A 23 5.594 2.742 -4.796 1.00 0.00 C ATOM 0 H PHE A 23 0.436 5.443 -0.593 1.00 0.00 H new ATOM 0 HA PHE A 23 2.015 6.096 -3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.977 4.386 -1.253 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.806 3.300 -1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.290 5.231 -4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.869 1.961 -1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.390 4.591 -5.860 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.577 1.019 -3.500 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.401 2.378 -5.415 1.00 0.00 H new ATOM 127 N GLY A 24 -0.625 4.072 -2.575 1.00 0.00 N ATOM 128 CA GLY A 24 -1.869 3.712 -3.248 1.00 0.00 C ATOM 129 C GLY A 24 -2.733 4.926 -3.508 1.00 0.00 C ATOM 130 O GLY A 24 -3.456 4.927 -4.493 1.00 0.00 O ATOM 0 H GLY A 24 -0.499 3.663 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.642 3.217 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.420 2.997 -2.637 1.00 0.00 H new ATOM 134 N GLY A 25 -2.673 5.961 -2.633 1.00 0.00 N ATOM 135 CA GLY A 25 -3.450 7.181 -2.864 1.00 0.00 C ATOM 136 C GLY A 25 -2.708 8.215 -3.681 1.00 0.00 C ATOM 137 O GLY A 25 -3.251 9.296 -3.854 1.00 0.00 O ATOM 0 H GLY A 25 -2.107 5.967 -1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.378 6.922 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.725 7.616 -1.903 1.00 0.00 H new ATOM 141 N LYS A 26 -1.491 7.925 -4.199 1.00 0.00 N ATOM 142 CA LYS A 26 -0.825 8.872 -5.091 1.00 0.00 C ATOM 143 C LYS A 26 -1.569 8.776 -6.406 1.00 0.00 C ATOM 144 O LYS A 26 -1.125 8.071 -7.298 1.00 0.00 O ATOM 145 CB LYS A 26 0.648 8.482 -5.355 1.00 0.00 C ATOM 146 CG LYS A 26 1.571 8.553 -4.120 1.00 0.00 C ATOM 147 CD LYS A 26 2.020 9.986 -3.712 1.00 0.00 C ATOM 148 CE LYS A 26 3.481 10.045 -3.150 1.00 0.00 C ATOM 149 NZ LYS A 26 4.297 11.057 -3.868 1.00 0.00 N ATOM 0 H LYS A 26 -0.972 7.066 -4.015 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.831 9.868 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.674 7.467 -5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.049 9.137 -6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.057 8.096 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.460 7.953 -4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.946 10.642 -4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.333 10.373 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.454 10.285 -2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.949 9.065 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.259 11.072 -3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.342 10.814 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.863 11.995 -3.757 1.00 0.00 H new ATOM 163 N GLU A 27 -2.725 9.457 -6.552 1.00 0.00 N ATOM 164 CA GLU A 27 -3.515 9.279 -7.777 1.00 0.00 C ATOM 165 C GLU A 27 -2.659 9.500 -9.016 1.00 0.00 C ATOM 166 O GLU A 27 -2.874 8.818 -10.007 1.00 0.00 O ATOM 167 CB GLU A 27 -4.828 10.130 -7.777 1.00 0.00 C ATOM 168 CG GLU A 27 -4.873 11.210 -8.890 1.00 0.00 C ATOM 169 CD GLU A 27 -6.082 12.103 -8.733 1.00 0.00 C ATOM 170 OE1 GLU A 27 -7.180 11.578 -8.396 1.00 0.00 O ATOM 171 OE2 GLU A 27 -5.947 13.340 -8.939 1.00 0.00 O ATOM 0 H GLU A 27 -3.115 10.106 -5.868 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.849 8.242 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.682 9.463 -7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.935 10.616 -6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.965 11.812 -8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.897 10.728 -9.868 1.00 0.00 H new ATOM 178 N ASN A 28 -1.679 10.438 -8.972 1.00 0.00 N ATOM 179 CA ASN A 28 -0.816 10.700 -10.133 1.00 0.00 C ATOM 180 C ASN A 28 -0.248 9.442 -10.772 1.00 0.00 C ATOM 181 O ASN A 28 0.008 9.438 -11.966 1.00 0.00 O ATOM 182 CB ASN A 28 0.383 11.593 -9.713 1.00 0.00 C ATOM 183 CG ASN A 28 1.283 11.895 -10.890 1.00 0.00 C ATOM 184 OD1 ASN A 28 0.791 12.408 -11.881 1.00 0.00 O ATOM 185 ND2 ASN A 28 2.600 11.592 -10.816 1.00 0.00 N ATOM 0 H ASN A 28 -1.475 11.013 -8.155 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.455 11.192 -10.866 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.013 12.526 -9.287 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.957 11.092 -8.933 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.215 11.792 -11.605 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.978 11.163 -9.971 1.00 0.00 H new ATOM 192 N ILE A 29 -0.045 8.382 -9.957 1.00 0.00 N ATOM 193 CA ILE A 29 0.430 7.067 -10.418 1.00 0.00 C ATOM 194 C ILE A 29 0.230 6.655 -11.872 1.00 0.00 C ATOM 195 O ILE A 29 -0.694 7.113 -12.525 1.00 0.00 O ATOM 196 CB ILE A 29 -0.228 6.019 -9.454 1.00 0.00 C ATOM 197 CG1 ILE A 29 0.562 5.706 -8.126 1.00 0.00 C ATOM 198 CG2 ILE A 29 -0.678 4.723 -10.171 1.00 0.00 C ATOM 199 CD1 ILE A 29 1.853 6.531 -7.839 1.00 0.00 C ATOM 0 H ILE A 29 -0.209 8.421 -8.951 1.00 0.00 H new ATOM 0 HA ILE A 29 1.518 7.123 -10.385 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.124 6.542 -9.119 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.120 5.849 -7.288 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.834 4.651 -8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.124 4.042 -9.446 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.412 4.968 -10.938 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.185 4.245 -10.634 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.289 6.208 -6.894 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.572 6.373 -8.643 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.602 7.590 -7.779 1.00 0.00 H new ATOM 211 N THR A 30 1.094 5.724 -12.364 1.00 0.00 N ATOM 212 CA THR A 30 1.050 5.237 -13.747 1.00 0.00 C ATOM 213 C THR A 30 0.303 3.911 -13.887 1.00 0.00 C ATOM 214 O THR A 30 -0.706 3.895 -14.577 1.00 0.00 O ATOM 215 CB THR A 30 2.504 5.082 -14.285 1.00 0.00 C ATOM 216 OG1 THR A 30 3.121 3.997 -13.572 1.00 0.00 O ATOM 217 CG2 THR A 30 3.331 6.390 -14.122 1.00 0.00 C ATOM 0 H THR A 30 1.834 5.299 -11.804 1.00 0.00 H new ATOM 0 HA THR A 30 0.500 5.973 -14.333 1.00 0.00 H new ATOM 0 HB THR A 30 2.473 4.873 -15.354 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.039 3.875 -13.892 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.338 6.235 -14.510 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.849 7.196 -14.675 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.387 6.656 -13.066 1.00 0.00 H new ATOM 225 N ASN A 31 0.773 2.784 -13.284 1.00 0.00 N ATOM 226 CA ASN A 31 0.141 1.469 -13.491 1.00 0.00 C ATOM 227 C ASN A 31 0.244 0.578 -12.265 1.00 0.00 C ATOM 228 O ASN A 31 1.365 0.317 -11.866 1.00 0.00 O ATOM 229 CB ASN A 31 0.843 0.709 -14.652 1.00 0.00 C ATOM 230 CG ASN A 31 0.169 0.947 -15.985 1.00 0.00 C ATOM 231 OD1 ASN A 31 -0.720 0.196 -16.333 1.00 0.00 O ATOM 232 ND2 ASN A 31 0.566 1.992 -16.749 1.00 0.00 N ATOM 0 H ASN A 31 1.579 2.768 -12.659 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.907 1.671 -13.713 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.884 1.025 -14.713 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.846 -0.359 -14.435 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.115 2.168 -17.647 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.316 2.603 -16.427 1.00 0.00 H new ATOM 239 N LEU A 32 -0.882 0.096 -11.674 1.00 0.00 N ATOM 240 CA LEU A 32 -0.855 -0.806 -10.509 1.00 0.00 C ATOM 241 C LEU A 32 -1.476 -2.121 -10.941 1.00 0.00 C ATOM 242 O LEU A 32 -2.019 -2.188 -12.033 1.00 0.00 O ATOM 243 CB LEU A 32 -1.666 -0.195 -9.319 1.00 0.00 C ATOM 244 CG LEU A 32 -0.910 0.884 -8.482 1.00 0.00 C ATOM 245 CD1 LEU A 32 0.070 1.694 -9.358 1.00 0.00 C ATOM 246 CD2 LEU A 32 -1.893 1.815 -7.714 1.00 0.00 C ATOM 0 H LEU A 32 -1.823 0.324 -11.995 1.00 0.00 H new ATOM 0 HA LEU A 32 0.170 -0.953 -10.168 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.580 0.249 -9.714 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.967 -1.003 -8.653 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.320 0.355 -7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.579 2.436 -8.743 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.806 1.021 -9.798 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.482 2.197 -10.152 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.326 2.551 -7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.540 2.327 -8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.501 1.219 -7.033 1.00 0.00 H new ATOM 258 N ASP A 33 -1.394 -3.177 -10.097 1.00 0.00 N ATOM 259 CA ASP A 33 -1.970 -4.482 -10.431 1.00 0.00 C ATOM 260 C ASP A 33 -2.725 -4.950 -9.203 1.00 0.00 C ATOM 261 O ASP A 33 -2.417 -5.987 -8.638 1.00 0.00 O ATOM 262 CB ASP A 33 -0.837 -5.424 -10.930 1.00 0.00 C ATOM 263 CG ASP A 33 -0.750 -5.530 -12.431 1.00 0.00 C ATOM 264 OD1 ASP A 33 -0.322 -4.536 -13.080 1.00 0.00 O ATOM 265 OD2 ASP A 33 -1.103 -6.614 -12.972 1.00 0.00 O ATOM 0 H ASP A 33 -0.935 -3.142 -9.187 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.685 -4.455 -11.254 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.117 -5.065 -10.545 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.995 -6.419 -10.514 1.00 0.00 H new ATOM 270 N ALA A 34 -3.748 -4.163 -8.788 1.00 0.00 N ATOM 271 CA ALA A 34 -4.512 -4.521 -7.596 1.00 0.00 C ATOM 272 C ALA A 34 -5.228 -5.840 -7.791 1.00 0.00 C ATOM 273 O ALA A 34 -5.668 -6.104 -8.899 1.00 0.00 O ATOM 274 CB ALA A 34 -5.503 -3.416 -7.154 1.00 0.00 C ATOM 0 H ALA A 34 -4.047 -3.305 -9.252 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.789 -4.628 -6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.040 -3.743 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.953 -2.502 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.215 -3.224 -7.956 1.00 0.00 H new ATOM 280 N CYS A 35 -5.340 -6.680 -6.730 1.00 0.00 N ATOM 281 CA CYS A 35 -6.002 -7.980 -6.868 1.00 0.00 C ATOM 282 C CYS A 35 -6.231 -8.597 -5.505 1.00 0.00 C ATOM 283 O CYS A 35 -5.628 -8.096 -4.571 1.00 0.00 O ATOM 284 CB CYS A 35 -5.191 -8.900 -7.829 1.00 0.00 C ATOM 285 SG CYS A 35 -4.637 -10.444 -7.041 1.00 0.00 S ATOM 0 H CYS A 35 -4.986 -6.477 -5.795 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.985 -7.847 -7.320 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.806 -9.142 -8.696 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.322 -8.355 -8.197 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.972 -11.156 -7.902 1.00 0.00 H new ATOM 291 N ILE A 36 -7.080 -9.650 -5.398 1.00 0.00 N ATOM 292 CA ILE A 36 -7.406 -10.287 -4.116 1.00 0.00 C ATOM 293 C ILE A 36 -6.543 -9.843 -2.937 1.00 0.00 C ATOM 294 O ILE A 36 -6.834 -8.777 -2.414 1.00 0.00 O ATOM 295 CB ILE A 36 -7.619 -11.835 -4.238 1.00 0.00 C ATOM 296 CG1 ILE A 36 -6.481 -12.587 -5.006 1.00 0.00 C ATOM 297 CG2 ILE A 36 -9.020 -12.198 -4.809 1.00 0.00 C ATOM 298 CD1 ILE A 36 -6.725 -12.941 -6.502 1.00 0.00 C ATOM 0 H ILE A 36 -7.551 -10.072 -6.198 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.385 -9.891 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.569 -12.196 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.579 -11.977 -4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.273 -13.514 -4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.117 -13.282 -4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.794 -11.803 -4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.132 -11.764 -5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.852 -13.459 -6.900 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.599 -13.587 -6.585 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.895 -12.026 -7.069 1.00 0.00 H new ATOM 310 N THR A 37 -5.490 -10.588 -2.505 1.00 0.00 N ATOM 311 CA THR A 37 -4.544 -10.084 -1.506 1.00 0.00 C ATOM 312 C THR A 37 -3.254 -9.622 -2.162 1.00 0.00 C ATOM 313 O THR A 37 -2.271 -9.476 -1.453 1.00 0.00 O ATOM 314 CB THR A 37 -4.256 -11.144 -0.402 1.00 0.00 C ATOM 315 OG1 THR A 37 -3.387 -10.519 0.555 1.00 0.00 O ATOM 316 CG2 THR A 37 -3.587 -12.440 -0.936 1.00 0.00 C ATOM 0 H THR A 37 -5.287 -11.531 -2.838 1.00 0.00 H new ATOM 0 HA THR A 37 -5.008 -9.224 -1.023 1.00 0.00 H new ATOM 0 HB THR A 37 -5.206 -11.458 0.029 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.656 -10.065 0.086 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.418 -13.130 -0.109 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.239 -12.909 -1.672 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.633 -12.192 -1.402 1.00 0.00 H new ATOM 324 N ARG A 38 -3.215 -9.379 -3.495 1.00 0.00 N ATOM 325 CA ARG A 38 -1.971 -9.017 -4.174 1.00 0.00 C ATOM 326 C ARG A 38 -2.179 -7.625 -4.745 1.00 0.00 C ATOM 327 O ARG A 38 -3.210 -7.412 -5.360 1.00 0.00 O ATOM 328 CB ARG A 38 -1.706 -10.038 -5.323 1.00 0.00 C ATOM 329 CG ARG A 38 -0.211 -10.298 -5.704 1.00 0.00 C ATOM 330 CD ARG A 38 0.222 -11.771 -5.426 1.00 0.00 C ATOM 331 NE ARG A 38 1.517 -12.117 -6.041 1.00 0.00 N ATOM 332 CZ ARG A 38 2.427 -12.922 -5.522 1.00 0.00 C ATOM 333 NH1 ARG A 38 2.326 -13.534 -4.360 1.00 0.00 N ATOM 334 NH2 ARG A 38 3.522 -13.140 -6.218 1.00 0.00 N ATOM 0 H ARG A 38 -4.030 -9.429 -4.107 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.117 -9.032 -3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.156 -10.990 -5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.228 -9.690 -6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.062 -10.071 -6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.429 -9.620 -5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.284 -11.929 -4.349 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.545 -12.447 -5.804 1.00 0.00 H new ATOM 0 HE ARG A 38 1.729 -11.698 -6.947 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.494 -13.402 -3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.080 -14.140 -4.036 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.646 -12.693 -7.126 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.247 -13.756 -5.849 1.00 0.00 H new ATOM 348 N LEU A 39 -1.241 -6.665 -4.573 1.00 0.00 N ATOM 349 CA LEU A 39 -1.371 -5.348 -5.203 1.00 0.00 C ATOM 350 C LEU A 39 0.006 -4.962 -5.641 1.00 0.00 C ATOM 351 O LEU A 39 0.937 -5.637 -5.247 1.00 0.00 O ATOM 352 CB LEU A 39 -2.241 -4.303 -4.423 1.00 0.00 C ATOM 353 CG LEU A 39 -1.632 -3.567 -3.186 1.00 0.00 C ATOM 354 CD1 LEU A 39 -0.894 -2.261 -3.591 1.00 0.00 C ATOM 355 CD2 LEU A 39 -2.744 -3.142 -2.176 1.00 0.00 C ATOM 0 H LEU A 39 -0.399 -6.783 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.005 -5.385 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.553 -3.540 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.143 -4.814 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.938 -4.278 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.487 -1.782 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.082 -2.500 -4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.595 -1.583 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.289 -2.633 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.446 -2.469 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.275 -4.027 -1.826 1.00 0.00 H new ATOM 367 N ARG A 40 0.219 -3.937 -6.473 1.00 0.00 N ATOM 368 CA ARG A 40 1.579 -3.707 -6.960 1.00 0.00 C ATOM 369 C ARG A 40 1.702 -2.231 -7.263 1.00 0.00 C ATOM 370 O ARG A 40 0.632 -1.659 -7.360 1.00 0.00 O ATOM 371 CB ARG A 40 1.852 -4.563 -8.231 1.00 0.00 C ATOM 372 CG ARG A 40 1.285 -6.031 -8.319 1.00 0.00 C ATOM 373 CD ARG A 40 1.942 -7.192 -7.506 1.00 0.00 C ATOM 374 NE ARG A 40 2.117 -8.426 -8.293 1.00 0.00 N ATOM 375 CZ ARG A 40 3.053 -9.333 -8.070 1.00 0.00 C ATOM 376 NH1 ARG A 40 3.837 -9.304 -7.022 1.00 0.00 N ATOM 377 NH2 ARG A 40 3.210 -10.312 -8.932 1.00 0.00 N ATOM 0 H ARG A 40 -0.491 -3.286 -6.808 1.00 0.00 H new ATOM 0 HA ARG A 40 2.315 -4.001 -6.212 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.461 -4.011 -9.086 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.933 -4.623 -8.357 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.236 -5.987 -8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.310 -6.321 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.913 -6.864 -7.137 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.326 -7.410 -6.633 1.00 0.00 H new ATOM 0 HE ARG A 40 1.470 -8.592 -9.064 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.740 -8.558 -6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.545 -10.027 -6.894 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.614 -10.364 -9.758 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.927 -11.020 -8.775 1.00 0.00 H new ATOM 391 N VAL A 41 2.897 -1.588 -7.385 1.00 0.00 N ATOM 392 CA VAL A 41 2.937 -0.128 -7.551 1.00 0.00 C ATOM 393 C VAL A 41 3.953 0.308 -8.593 1.00 0.00 C ATOM 394 O VAL A 41 4.866 1.056 -8.271 1.00 0.00 O ATOM 395 CB VAL A 41 3.053 0.592 -6.169 1.00 0.00 C ATOM 396 CG1 VAL A 41 2.397 2.004 -6.240 1.00 0.00 C ATOM 397 CG2 VAL A 41 2.398 -0.208 -5.005 1.00 0.00 C ATOM 0 H VAL A 41 3.808 -2.047 -7.371 1.00 0.00 H new ATOM 0 HA VAL A 41 1.984 0.199 -7.966 1.00 0.00 H new ATOM 0 HB VAL A 41 4.119 0.672 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.485 2.495 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.903 2.603 -6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.344 1.903 -6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.513 0.346 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.338 -0.352 -5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.884 -1.179 -4.912 1.00 0.00 H new ATOM 407 N SER A 42 3.799 -0.134 -9.865 1.00 0.00 N ATOM 408 CA SER A 42 4.834 0.126 -10.876 1.00 0.00 C ATOM 409 C SER A 42 4.914 1.562 -11.333 1.00 0.00 C ATOM 410 O SER A 42 4.262 1.891 -12.310 1.00 0.00 O ATOM 411 CB SER A 42 4.732 -0.814 -12.114 1.00 0.00 C ATOM 412 OG SER A 42 3.593 -0.546 -12.945 1.00 0.00 O ATOM 0 H SER A 42 2.990 -0.657 -10.202 1.00 0.00 H new ATOM 0 HA SER A 42 5.760 -0.095 -10.346 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.639 -0.715 -12.711 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.687 -1.848 -11.772 1.00 0.00 H new ATOM 0 HG SER A 42 2.826 -0.311 -12.382 1.00 0.00 H new ATOM 418 N VAL A 43 5.717 2.421 -10.651 1.00 0.00 N ATOM 419 CA VAL A 43 5.731 3.850 -10.973 1.00 0.00 C ATOM 420 C VAL A 43 7.107 4.461 -10.817 1.00 0.00 C ATOM 421 O VAL A 43 7.919 3.858 -10.133 1.00 0.00 O ATOM 422 CB VAL A 43 4.712 4.559 -10.035 1.00 0.00 C ATOM 423 CG1 VAL A 43 3.383 3.757 -9.988 1.00 0.00 C ATOM 424 CG2 VAL A 43 5.268 4.693 -8.597 1.00 0.00 C ATOM 0 H VAL A 43 6.344 2.146 -9.895 1.00 0.00 H new ATOM 0 HA VAL A 43 5.455 3.981 -12.019 1.00 0.00 H new ATOM 0 HB VAL A 43 4.534 5.556 -10.437 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.677 4.262 -9.329 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.961 3.693 -10.991 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.577 2.753 -9.611 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.532 5.192 -7.967 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.478 3.702 -8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.187 5.279 -8.615 1.00 0.00 H new ATOM 434 N ALA A 44 7.355 5.661 -11.399 1.00 0.00 N ATOM 435 CA ALA A 44 8.621 6.361 -11.174 1.00 0.00 C ATOM 436 C ALA A 44 8.521 7.318 -10.008 1.00 0.00 C ATOM 437 O ALA A 44 9.565 7.781 -9.575 1.00 0.00 O ATOM 438 CB ALA A 44 9.059 7.128 -12.447 1.00 0.00 C ATOM 0 H ALA A 44 6.702 6.147 -12.014 1.00 0.00 H new ATOM 0 HA ALA A 44 9.372 5.608 -10.938 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.002 7.641 -12.257 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.188 6.424 -13.269 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.296 7.859 -12.712 1.00 0.00 H new ATOM 444 N ASP A 45 7.317 7.631 -9.468 1.00 0.00 N ATOM 445 CA ASP A 45 7.254 8.383 -8.214 1.00 0.00 C ATOM 446 C ASP A 45 7.907 7.526 -7.146 1.00 0.00 C ATOM 447 O ASP A 45 7.186 6.896 -6.389 1.00 0.00 O ATOM 448 CB ASP A 45 5.795 8.739 -7.808 1.00 0.00 C ATOM 449 CG ASP A 45 5.104 9.555 -8.873 1.00 0.00 C ATOM 450 OD1 ASP A 45 4.777 8.966 -9.938 1.00 0.00 O ATOM 451 OD2 ASP A 45 4.876 10.777 -8.661 1.00 0.00 O ATOM 0 H ASP A 45 6.414 7.381 -9.871 1.00 0.00 H new ATOM 0 HA ASP A 45 7.773 9.334 -8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.233 7.822 -7.629 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.803 9.296 -6.871 1.00 0.00 H new ATOM 456 N VAL A 46 9.263 7.493 -7.075 1.00 0.00 N ATOM 457 CA VAL A 46 9.953 6.780 -5.998 1.00 0.00 C ATOM 458 C VAL A 46 10.437 7.846 -5.037 1.00 0.00 C ATOM 459 O VAL A 46 11.552 7.778 -4.546 1.00 0.00 O ATOM 460 CB VAL A 46 11.041 5.804 -6.549 1.00 0.00 C ATOM 461 CG1 VAL A 46 12.238 6.506 -7.252 1.00 0.00 C ATOM 462 CG2 VAL A 46 11.566 4.834 -5.450 1.00 0.00 C ATOM 0 H VAL A 46 9.882 7.948 -7.746 1.00 0.00 H new ATOM 0 HA VAL A 46 9.298 6.100 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 46 10.522 5.230 -7.317 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.945 5.755 -7.604 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.873 7.086 -8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.736 7.170 -6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.321 4.174 -5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.007 5.410 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.738 4.238 -5.065 1.00 0.00 H new ATOM 472 N SER A 47 9.592 8.871 -4.762 1.00 0.00 N ATOM 473 CA SER A 47 10.048 10.012 -3.973 1.00 0.00 C ATOM 474 C SER A 47 9.918 9.700 -2.497 1.00 0.00 C ATOM 475 O SER A 47 9.048 10.263 -1.850 1.00 0.00 O ATOM 476 CB SER A 47 9.278 11.304 -4.353 1.00 0.00 C ATOM 477 OG SER A 47 9.824 12.408 -3.615 1.00 0.00 O ATOM 0 H SER A 47 8.621 8.920 -5.071 1.00 0.00 H new ATOM 0 HA SER A 47 11.099 10.194 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.360 11.490 -5.424 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.217 11.190 -4.130 1.00 0.00 H new ATOM 0 HG SER A 47 9.343 13.229 -3.851 1.00 0.00 H new ATOM 483 N LYS A 48 10.793 8.818 -1.951 1.00 0.00 N ATOM 484 CA LYS A 48 10.724 8.463 -0.532 1.00 0.00 C ATOM 485 C LYS A 48 9.268 8.264 -0.184 1.00 0.00 C ATOM 486 O LYS A 48 8.751 8.896 0.724 1.00 0.00 O ATOM 487 CB LYS A 48 11.423 9.476 0.426 1.00 0.00 C ATOM 488 CG LYS A 48 12.671 10.188 -0.171 1.00 0.00 C ATOM 489 CD LYS A 48 12.278 11.260 -1.233 1.00 0.00 C ATOM 490 CE LYS A 48 13.202 12.508 -1.250 1.00 0.00 C ATOM 491 NZ LYS A 48 12.638 13.558 -2.132 1.00 0.00 N ATOM 0 H LYS A 48 11.538 8.353 -2.470 1.00 0.00 H new ATOM 0 HA LYS A 48 11.291 7.544 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.697 10.234 0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.722 8.950 1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.236 10.662 0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.327 9.447 -0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.291 10.799 -2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.254 11.583 -1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.317 12.897 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.196 12.227 -1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.346 13.831 -2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.790 13.191 -2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.382 14.389 -1.562 1.00 0.00 H new ATOM 505 N VAL A 49 8.575 7.380 -0.933 1.00 0.00 N ATOM 506 CA VAL A 49 7.125 7.254 -0.785 1.00 0.00 C ATOM 507 C VAL A 49 6.889 6.249 0.325 1.00 0.00 C ATOM 508 O VAL A 49 6.292 5.212 0.087 1.00 0.00 O ATOM 509 CB VAL A 49 6.404 7.079 -2.166 1.00 0.00 C ATOM 510 CG1 VAL A 49 7.213 6.347 -3.271 1.00 0.00 C ATOM 511 CG2 VAL A 49 5.035 6.373 -2.027 1.00 0.00 C ATOM 0 H VAL A 49 8.991 6.760 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 49 6.628 8.166 -0.454 1.00 0.00 H new ATOM 0 HB VAL A 49 6.283 8.111 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.614 6.285 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.130 6.900 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.464 5.342 -2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.575 6.275 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.178 5.383 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.386 6.962 -1.380 1.00 0.00 H new ATOM 521 N ASP A 50 7.382 6.573 1.553 1.00 0.00 N ATOM 522 CA ASP A 50 7.300 5.688 2.722 1.00 0.00 C ATOM 523 C ASP A 50 6.965 4.267 2.347 1.00 0.00 C ATOM 524 O ASP A 50 5.963 3.738 2.799 1.00 0.00 O ATOM 525 CB ASP A 50 6.306 6.299 3.746 1.00 0.00 C ATOM 526 CG ASP A 50 4.925 6.490 3.172 1.00 0.00 C ATOM 527 OD1 ASP A 50 4.619 5.893 2.108 1.00 0.00 O ATOM 528 OD2 ASP A 50 4.132 7.251 3.788 1.00 0.00 O ATOM 0 H ASP A 50 7.846 7.460 1.747 1.00 0.00 H new ATOM 0 HA ASP A 50 8.282 5.623 3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.246 5.650 4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.689 7.260 4.089 1.00 0.00 H new ATOM 533 N GLN A 51 7.814 3.664 1.486 1.00 0.00 N ATOM 534 CA GLN A 51 7.520 2.331 0.958 1.00 0.00 C ATOM 535 C GLN A 51 7.842 1.348 2.057 1.00 0.00 C ATOM 536 O GLN A 51 7.071 0.429 2.286 1.00 0.00 O ATOM 537 CB GLN A 51 8.330 2.044 -0.340 1.00 0.00 C ATOM 538 CG GLN A 51 8.066 3.146 -1.404 1.00 0.00 C ATOM 539 CD GLN A 51 8.972 3.048 -2.608 1.00 0.00 C ATOM 540 OE1 GLN A 51 9.947 3.784 -2.670 1.00 0.00 O ATOM 541 NE2 GLN A 51 8.659 2.171 -3.577 1.00 0.00 N ATOM 0 H GLN A 51 8.686 4.074 1.153 1.00 0.00 H new ATOM 0 HA GLN A 51 6.472 2.247 0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.394 2.001 -0.109 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.052 1.069 -0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.029 3.082 -1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.193 4.125 -0.942 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.835 1.577 -3.481 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.245 2.099 -4.409 1.00 0.00 H new ATOM 550 N ALA A 52 8.969 1.573 2.776 1.00 0.00 N ATOM 551 CA ALA A 52 9.274 0.759 3.948 1.00 0.00 C ATOM 552 C ALA A 52 8.156 0.801 4.977 1.00 0.00 C ATOM 553 O ALA A 52 8.086 -0.101 5.798 1.00 0.00 O ATOM 554 CB ALA A 52 10.594 1.227 4.612 1.00 0.00 C ATOM 0 H ALA A 52 9.657 2.295 2.562 1.00 0.00 H new ATOM 0 HA ALA A 52 9.381 -0.268 3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.803 0.607 5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.413 1.136 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.496 2.267 4.922 1.00 0.00 H new ATOM 560 N GLY A 53 7.265 1.821 4.963 1.00 0.00 N ATOM 561 CA GLY A 53 6.074 1.772 5.812 1.00 0.00 C ATOM 562 C GLY A 53 4.926 1.088 5.109 1.00 0.00 C ATOM 563 O GLY A 53 4.161 0.415 5.781 1.00 0.00 O ATOM 0 H GLY A 53 7.352 2.659 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.305 1.242 6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.781 2.784 6.090 1.00 0.00 H new ATOM 567 N LEU A 54 4.751 1.267 3.778 1.00 0.00 N ATOM 568 CA LEU A 54 3.550 0.739 3.123 1.00 0.00 C ATOM 569 C LEU A 54 3.611 -0.758 2.959 1.00 0.00 C ATOM 570 O LEU A 54 2.582 -1.330 2.635 1.00 0.00 O ATOM 571 CB LEU A 54 3.252 1.423 1.757 1.00 0.00 C ATOM 572 CG LEU A 54 1.734 1.636 1.418 1.00 0.00 C ATOM 573 CD1 LEU A 54 1.543 3.082 0.906 1.00 0.00 C ATOM 574 CD2 LEU A 54 1.200 0.651 0.334 1.00 0.00 C ATOM 0 H LEU A 54 5.403 1.755 3.164 1.00 0.00 H new ATOM 0 HA LEU A 54 2.723 0.979 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.748 2.393 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.701 0.823 0.966 1.00 0.00 H new ATOM 0 HG LEU A 54 1.170 1.447 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.493 3.247 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.853 3.786 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.148 3.234 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.145 0.853 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.764 0.785 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.317 -0.374 0.685 1.00 0.00 H new ATOM 586 N LYS A 55 4.779 -1.407 3.176 1.00 0.00 N ATOM 587 CA LYS A 55 4.856 -2.863 3.078 1.00 0.00 C ATOM 588 C LYS A 55 4.407 -3.566 4.325 1.00 0.00 C ATOM 589 O LYS A 55 3.867 -4.653 4.221 1.00 0.00 O ATOM 590 CB LYS A 55 6.268 -3.333 2.644 1.00 0.00 C ATOM 591 CG LYS A 55 7.276 -3.842 3.710 1.00 0.00 C ATOM 592 CD LYS A 55 7.888 -2.724 4.591 1.00 0.00 C ATOM 593 CE LYS A 55 9.426 -2.881 4.787 1.00 0.00 C ATOM 594 NZ LYS A 55 9.798 -4.139 5.471 1.00 0.00 N ATOM 0 H LYS A 55 5.658 -0.947 3.415 1.00 0.00 H new ATOM 0 HA LYS A 55 4.150 -3.147 2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.134 -4.133 1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.741 -2.501 2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.773 -4.562 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.083 -4.374 3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.682 -1.755 4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.400 -2.728 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.916 -2.845 3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.801 -2.036 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.832 -4.186 5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.356 -4.166 6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.468 -4.950 4.910 1.00 0.00 H new ATOM 608 N LYS A 56 4.643 -2.946 5.497 1.00 0.00 N ATOM 609 CA LYS A 56 4.194 -3.510 6.770 1.00 0.00 C ATOM 610 C LYS A 56 2.920 -2.853 7.264 1.00 0.00 C ATOM 611 O LYS A 56 2.275 -3.438 8.120 1.00 0.00 O ATOM 612 CB LYS A 56 5.352 -3.456 7.804 1.00 0.00 C ATOM 613 CG LYS A 56 5.770 -2.018 8.230 1.00 0.00 C ATOM 614 CD LYS A 56 7.164 -1.995 8.917 1.00 0.00 C ATOM 615 CE LYS A 56 7.149 -2.625 10.335 1.00 0.00 C ATOM 616 NZ LYS A 56 8.509 -2.629 10.923 1.00 0.00 N ATOM 0 H LYS A 56 5.140 -2.059 5.582 1.00 0.00 H new ATOM 0 HA LYS A 56 3.934 -4.558 6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.055 -4.013 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.220 -3.964 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.788 -1.371 7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.023 -1.611 8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.879 -2.532 8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.512 -0.964 8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.471 -2.065 10.979 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.768 -3.645 10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.476 -3.055 11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.148 -3.183 10.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.859 -1.652 10.994 1.00 0.00 H new ATOM 630 N LEU A 57 2.545 -1.655 6.747 1.00 0.00 N ATOM 631 CA LEU A 57 1.324 -0.956 7.168 1.00 0.00 C ATOM 632 C LEU A 57 0.273 -0.895 6.066 1.00 0.00 C ATOM 633 O LEU A 57 -0.904 -0.838 6.389 1.00 0.00 O ATOM 634 CB LEU A 57 1.752 0.469 7.617 1.00 0.00 C ATOM 635 CG LEU A 57 0.948 1.032 8.822 1.00 0.00 C ATOM 636 CD1 LEU A 57 1.429 2.468 9.158 1.00 0.00 C ATOM 637 CD2 LEU A 57 -0.571 1.044 8.535 1.00 0.00 C ATOM 0 H LEU A 57 3.080 -1.159 6.035 1.00 0.00 H new ATOM 0 HA LEU A 57 0.851 -1.501 7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.810 0.452 7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.643 1.150 6.773 1.00 0.00 H new ATOM 0 HG LEU A 57 1.126 0.377 9.675 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.860 2.854 10.004 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.488 2.446 9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.277 3.114 8.293 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.101 1.444 9.399 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.772 1.669 7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.912 0.028 8.338 1.00 0.00 H new ATOM 649 N GLY A 58 0.632 -0.929 4.760 1.00 0.00 N ATOM 650 CA GLY A 58 -0.359 -1.002 3.681 1.00 0.00 C ATOM 651 C GLY A 58 -0.511 -2.411 3.146 1.00 0.00 C ATOM 652 O GLY A 58 -1.634 -2.825 2.899 1.00 0.00 O ATOM 0 H GLY A 58 1.600 -0.907 4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.322 -0.648 4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.063 -0.336 2.870 1.00 0.00 H new ATOM 656 N ALA A 59 0.612 -3.150 2.964 1.00 0.00 N ATOM 657 CA ALA A 59 0.579 -4.525 2.473 1.00 0.00 C ATOM 658 C ALA A 59 1.306 -5.367 3.508 1.00 0.00 C ATOM 659 O ALA A 59 1.278 -4.987 4.665 1.00 0.00 O ATOM 660 CB ALA A 59 1.226 -4.490 1.064 1.00 0.00 C ATOM 0 H ALA A 59 1.551 -2.801 3.155 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.411 -4.967 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.231 -5.495 0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.652 -3.827 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.250 -4.124 1.143 1.00 0.00 H new ATOM 666 N ALA A 60 1.968 -6.493 3.165 1.00 0.00 N ATOM 667 CA ALA A 60 2.614 -7.344 4.172 1.00 0.00 C ATOM 668 C ALA A 60 3.843 -7.962 3.546 1.00 0.00 C ATOM 669 O ALA A 60 4.071 -9.152 3.699 1.00 0.00 O ATOM 670 CB ALA A 60 1.640 -8.436 4.679 1.00 0.00 C ATOM 0 H ALA A 60 2.066 -6.827 2.206 1.00 0.00 H new ATOM 0 HA ALA A 60 2.900 -6.746 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.142 -9.054 5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.766 -7.964 5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.326 -9.060 3.842 1.00 0.00 H new ATOM 676 N GLY A 61 4.627 -7.135 2.817 1.00 0.00 N ATOM 677 CA GLY A 61 5.744 -7.651 2.034 1.00 0.00 C ATOM 678 C GLY A 61 5.644 -7.036 0.659 1.00 0.00 C ATOM 679 O GLY A 61 4.745 -7.425 -0.067 1.00 0.00 O ATOM 0 H GLY A 61 4.500 -6.124 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.694 -7.394 2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.702 -8.739 1.974 1.00 0.00 H new ATOM 683 N VAL A 62 6.534 -6.085 0.292 1.00 0.00 N ATOM 684 CA VAL A 62 6.501 -5.473 -1.039 1.00 0.00 C ATOM 685 C VAL A 62 7.921 -5.581 -1.529 1.00 0.00 C ATOM 686 O VAL A 62 8.781 -5.971 -0.755 1.00 0.00 O ATOM 687 CB VAL A 62 6.000 -3.986 -1.070 1.00 0.00 C ATOM 688 CG1 VAL A 62 4.701 -3.763 -0.245 1.00 0.00 C ATOM 689 CG2 VAL A 62 7.140 -2.988 -0.717 1.00 0.00 C ATOM 0 H VAL A 62 7.274 -5.733 0.899 1.00 0.00 H new ATOM 0 HA VAL A 62 5.776 -5.987 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 62 5.713 -3.771 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.406 -2.715 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.903 -4.388 -0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.881 -4.029 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.754 -1.969 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.515 -3.203 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.951 -3.092 -1.438 1.00 0.00 H new ATOM 699 N VAL A 63 8.195 -5.244 -2.803 1.00 0.00 N ATOM 700 CA VAL A 63 9.565 -5.334 -3.298 1.00 0.00 C ATOM 701 C VAL A 63 9.723 -4.220 -4.305 1.00 0.00 C ATOM 702 O VAL A 63 8.883 -4.140 -5.186 1.00 0.00 O ATOM 703 CB VAL A 63 9.906 -6.769 -3.814 1.00 0.00 C ATOM 704 CG1 VAL A 63 8.649 -7.683 -3.892 1.00 0.00 C ATOM 705 CG2 VAL A 63 10.693 -6.747 -5.150 1.00 0.00 C ATOM 0 H VAL A 63 7.507 -4.919 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 63 10.303 -5.191 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 63 10.569 -7.211 -3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.938 -8.669 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.206 -7.778 -2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.921 -7.243 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.905 -7.769 -5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 63 10.098 -6.248 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.631 -6.209 -5.011 1.00 0.00 H new ATOM 715 N VAL A 64 10.758 -3.354 -4.171 1.00 0.00 N ATOM 716 CA VAL A 64 10.874 -2.179 -5.026 1.00 0.00 C ATOM 717 C VAL A 64 11.933 -2.483 -6.059 1.00 0.00 C ATOM 718 O VAL A 64 13.031 -2.830 -5.655 1.00 0.00 O ATOM 719 CB VAL A 64 11.236 -0.930 -4.169 1.00 0.00 C ATOM 720 CG1 VAL A 64 11.347 0.339 -5.053 1.00 0.00 C ATOM 721 CG2 VAL A 64 10.188 -0.718 -3.041 1.00 0.00 C ATOM 0 H VAL A 64 11.506 -3.457 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 64 9.932 -1.953 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 64 12.208 -1.108 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.601 1.196 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.125 0.193 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.394 0.521 -5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.458 0.159 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.203 -0.569 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.167 -1.595 -2.394 1.00 0.00 H new ATOM 731 N ALA A 65 11.632 -2.367 -7.375 1.00 0.00 N ATOM 732 CA ALA A 65 12.611 -2.701 -8.411 1.00 0.00 C ATOM 733 C ALA A 65 12.564 -1.629 -9.477 1.00 0.00 C ATOM 734 O ALA A 65 11.894 -1.859 -10.470 1.00 0.00 O ATOM 735 CB ALA A 65 12.247 -4.098 -8.980 1.00 0.00 C ATOM 0 H ALA A 65 10.730 -2.049 -7.730 1.00 0.00 H new ATOM 0 HA ALA A 65 13.626 -2.741 -8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.962 -4.372 -9.756 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.279 -4.837 -8.179 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.244 -4.068 -9.405 1.00 0.00 H new ATOM 741 N GLY A 66 13.256 -0.476 -9.281 1.00 0.00 N ATOM 742 CA GLY A 66 13.207 0.636 -10.237 1.00 0.00 C ATOM 743 C GLY A 66 12.794 0.208 -11.630 1.00 0.00 C ATOM 744 O GLY A 66 13.581 -0.500 -12.237 1.00 0.00 O ATOM 0 H GLY A 66 13.849 -0.303 -8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.508 1.389 -9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.188 1.109 -10.285 1.00 0.00 H new ATOM 748 N SER A 67 11.579 0.592 -12.103 1.00 0.00 N ATOM 749 CA SER A 67 10.967 0.024 -13.312 1.00 0.00 C ATOM 750 C SER A 67 9.652 -0.616 -12.911 1.00 0.00 C ATOM 751 O SER A 67 8.721 -0.604 -13.701 1.00 0.00 O ATOM 752 CB SER A 67 11.754 -1.043 -14.119 1.00 0.00 C ATOM 753 OG SER A 67 10.952 -1.467 -15.235 1.00 0.00 O ATOM 0 H SER A 67 11.005 1.304 -11.651 1.00 0.00 H new ATOM 0 HA SER A 67 10.900 0.880 -13.984 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.699 -0.629 -14.470 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.995 -1.895 -13.483 1.00 0.00 H new ATOM 0 HG SER A 67 11.441 -2.140 -15.752 1.00 0.00 H new ATOM 759 N GLY A 68 9.563 -1.184 -11.685 1.00 0.00 N ATOM 760 CA GLY A 68 8.319 -1.786 -11.237 1.00 0.00 C ATOM 761 C GLY A 68 8.368 -2.043 -9.749 1.00 0.00 C ATOM 762 O GLY A 68 9.466 -2.137 -9.222 1.00 0.00 O ATOM 0 H GLY A 68 10.329 -1.230 -11.013 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.483 -1.127 -11.472 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.147 -2.722 -11.769 1.00 0.00 H new ATOM 766 N VAL A 69 7.203 -2.166 -9.075 1.00 0.00 N ATOM 767 CA VAL A 69 7.165 -2.422 -7.637 1.00 0.00 C ATOM 768 C VAL A 69 6.083 -3.444 -7.427 1.00 0.00 C ATOM 769 O VAL A 69 5.177 -3.495 -8.243 1.00 0.00 O ATOM 770 CB VAL A 69 6.880 -1.132 -6.822 1.00 0.00 C ATOM 771 CG1 VAL A 69 6.830 -1.388 -5.291 1.00 0.00 C ATOM 772 CG2 VAL A 69 7.901 -0.027 -7.200 1.00 0.00 C ATOM 0 H VAL A 69 6.284 -2.091 -9.512 1.00 0.00 H new ATOM 0 HA VAL A 69 8.132 -2.782 -7.285 1.00 0.00 H new ATOM 0 HB VAL A 69 5.883 -0.783 -7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.628 -0.451 -4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.040 -2.105 -5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.788 -1.788 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.693 0.874 -6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.911 -0.374 -6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.818 0.196 -8.264 1.00 0.00 H new ATOM 782 N GLN A 70 6.161 -4.268 -6.362 1.00 0.00 N ATOM 783 CA GLN A 70 5.179 -5.332 -6.182 1.00 0.00 C ATOM 784 C GLN A 70 4.732 -5.319 -4.739 1.00 0.00 C ATOM 785 O GLN A 70 5.601 -4.984 -3.956 1.00 0.00 O ATOM 786 CB GLN A 70 5.741 -6.695 -6.665 1.00 0.00 C ATOM 787 CG GLN A 70 7.177 -6.645 -7.257 1.00 0.00 C ATOM 788 CD GLN A 70 7.681 -7.999 -7.719 1.00 0.00 C ATOM 789 OE1 GLN A 70 8.220 -8.067 -8.812 1.00 0.00 O ATOM 790 NE2 GLN A 70 7.549 -9.103 -6.946 1.00 0.00 N ATOM 0 H GLN A 70 6.877 -4.213 -5.637 1.00 0.00 H new ATOM 0 HA GLN A 70 4.298 -5.164 -6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.735 -7.391 -5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.068 -7.101 -7.420 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.192 -5.953 -8.099 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.859 -6.248 -6.505 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.097 -9.036 -6.034 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.902 -10.002 -7.276 1.00 0.00 H new ATOM 799 N ALA A 71 3.461 -5.633 -4.371 1.00 0.00 N ATOM 800 CA ALA A 71 2.978 -5.417 -3.011 1.00 0.00 C ATOM 801 C ALA A 71 2.084 -6.543 -2.547 1.00 0.00 C ATOM 802 O ALA A 71 1.053 -6.754 -3.158 1.00 0.00 O ATOM 803 CB ALA A 71 2.258 -4.043 -2.931 1.00 0.00 C ATOM 0 H ALA A 71 2.769 -6.033 -5.004 1.00 0.00 H new ATOM 0 HA ALA A 71 3.833 -5.407 -2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.897 -3.880 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.956 -3.250 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.415 -4.033 -3.622 1.00 0.00 H new ATOM 809 N ILE A 72 2.438 -7.304 -1.488 1.00 0.00 N ATOM 810 CA ILE A 72 1.733 -8.549 -1.177 1.00 0.00 C ATOM 811 C ILE A 72 1.169 -8.393 0.219 1.00 0.00 C ATOM 812 O ILE A 72 1.975 -8.139 1.097 1.00 0.00 O ATOM 813 CB ILE A 72 2.737 -9.750 -1.345 1.00 0.00 C ATOM 814 CG1 ILE A 72 2.525 -10.491 -2.699 1.00 0.00 C ATOM 815 CG2 ILE A 72 2.692 -10.794 -0.194 1.00 0.00 C ATOM 816 CD1 ILE A 72 3.012 -9.669 -3.916 1.00 0.00 C ATOM 0 H ILE A 72 3.198 -7.075 -0.847 1.00 0.00 H new ATOM 0 HA ILE A 72 0.901 -8.761 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 72 3.720 -9.279 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.055 -11.443 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.466 -10.719 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.415 -11.585 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.937 -10.306 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.692 -11.224 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.839 -10.236 -4.831 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.464 -8.728 -3.963 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.077 -9.463 -3.813 1.00 0.00 H new ATOM 828 N PHE A 73 -0.163 -8.542 0.463 1.00 0.00 N ATOM 829 CA PHE A 73 -0.668 -8.454 1.835 1.00 0.00 C ATOM 830 C PHE A 73 -0.732 -9.849 2.428 1.00 0.00 C ATOM 831 O PHE A 73 -0.930 -9.934 3.631 1.00 0.00 O ATOM 832 CB PHE A 73 -1.971 -7.621 2.066 1.00 0.00 C ATOM 833 CG PHE A 73 -2.704 -7.042 0.847 1.00 0.00 C ATOM 834 CD1 PHE A 73 -2.002 -6.583 -0.264 1.00 0.00 C ATOM 835 CD2 PHE A 73 -4.108 -6.965 0.828 1.00 0.00 C ATOM 836 CE1 PHE A 73 -2.674 -6.479 -1.491 1.00 0.00 C ATOM 837 CE2 PHE A 73 -4.788 -6.735 -0.365 1.00 0.00 C ATOM 838 CZ PHE A 73 -4.064 -6.581 -1.556 1.00 0.00 C ATOM 0 H PHE A 73 -0.871 -8.716 -0.251 1.00 0.00 H new ATOM 0 HA PHE A 73 0.055 -7.845 2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.676 -8.254 2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.719 -6.790 2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.960 -6.312 -0.183 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.663 -7.085 1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.108 -6.318 -2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.866 -6.676 -0.373 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.574 -6.542 -2.507 1.00 0.00 H new ATOM 848 N GLY A 74 -0.589 -10.950 1.646 1.00 0.00 N ATOM 849 CA GLY A 74 -0.537 -12.275 2.263 1.00 0.00 C ATOM 850 C GLY A 74 -1.774 -12.542 3.083 1.00 0.00 C ATOM 851 O GLY A 74 -2.757 -11.835 2.923 1.00 0.00 O ATOM 0 H GLY A 74 -0.511 -10.939 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.439 -13.036 1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.346 -12.350 2.897 1.00 0.00 H new ATOM 855 N THR A 75 -1.743 -13.552 3.981 1.00 0.00 N ATOM 856 CA THR A 75 -2.869 -13.717 4.898 1.00 0.00 C ATOM 857 C THR A 75 -2.993 -12.500 5.791 1.00 0.00 C ATOM 858 O THR A 75 -4.098 -12.188 6.209 1.00 0.00 O ATOM 859 CB THR A 75 -2.822 -14.999 5.776 1.00 0.00 C ATOM 860 OG1 THR A 75 -3.901 -14.948 6.725 1.00 0.00 O ATOM 861 CG2 THR A 75 -1.518 -15.149 6.599 1.00 0.00 C ATOM 0 H THR A 75 -0.987 -14.229 4.082 1.00 0.00 H new ATOM 0 HA THR A 75 -3.743 -13.829 4.257 1.00 0.00 H new ATOM 0 HB THR A 75 -2.889 -15.840 5.086 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.883 -15.753 7.284 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.561 -16.067 7.185 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.664 -15.190 5.923 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.410 -14.296 7.269 1.00 0.00 H new ATOM 869 N LYS A 76 -1.879 -11.793 6.101 1.00 0.00 N ATOM 870 CA LYS A 76 -1.980 -10.630 6.984 1.00 0.00 C ATOM 871 C LYS A 76 -3.013 -9.637 6.464 1.00 0.00 C ATOM 872 O LYS A 76 -3.472 -8.852 7.278 1.00 0.00 O ATOM 873 CB LYS A 76 -0.605 -9.947 7.272 1.00 0.00 C ATOM 874 CG LYS A 76 -0.257 -9.780 8.783 1.00 0.00 C ATOM 875 CD LYS A 76 0.281 -11.093 9.420 1.00 0.00 C ATOM 876 CE LYS A 76 0.955 -10.878 10.810 1.00 0.00 C ATOM 877 NZ LYS A 76 0.014 -10.469 11.876 1.00 0.00 N ATOM 0 H LYS A 76 -0.940 -12.004 5.763 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.325 -11.003 7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.182 -10.532 6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.599 -8.963 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.489 -8.993 8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.146 -9.456 9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.543 -11.799 9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.003 -11.548 8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.449 -11.802 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.731 -10.119 10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.533 -10.345 12.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.440 -9.571 11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.713 -11.202 11.997 1.00 0.00 H new ATOM 891 N SER A 77 -3.404 -9.651 5.160 1.00 0.00 N ATOM 892 CA SER A 77 -4.450 -8.758 4.650 1.00 0.00 C ATOM 893 C SER A 77 -5.509 -8.362 5.648 1.00 0.00 C ATOM 894 O SER A 77 -5.903 -7.207 5.643 1.00 0.00 O ATOM 895 CB SER A 77 -5.220 -9.386 3.449 1.00 0.00 C ATOM 896 OG SER A 77 -5.731 -10.700 3.724 1.00 0.00 O ATOM 0 H SER A 77 -3.005 -10.272 4.456 1.00 0.00 H new ATOM 0 HA SER A 77 -3.879 -7.873 4.368 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.048 -8.732 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.555 -9.436 2.587 1.00 0.00 H new ATOM 0 HG SER A 77 -6.204 -11.039 2.935 1.00 0.00 H new ATOM 902 N ASP A 78 -6.005 -9.283 6.499 1.00 0.00 N ATOM 903 CA ASP A 78 -7.074 -8.890 7.412 1.00 0.00 C ATOM 904 C ASP A 78 -6.573 -7.794 8.329 1.00 0.00 C ATOM 905 O ASP A 78 -7.277 -6.817 8.535 1.00 0.00 O ATOM 906 CB ASP A 78 -7.576 -10.116 8.214 1.00 0.00 C ATOM 907 CG ASP A 78 -8.070 -11.159 7.239 1.00 0.00 C ATOM 908 OD1 ASP A 78 -7.231 -11.976 6.766 1.00 0.00 O ATOM 909 OD2 ASP A 78 -9.291 -11.165 6.927 1.00 0.00 O ATOM 0 H ASP A 78 -5.697 -10.253 6.567 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.919 -8.504 6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.772 -10.522 8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.377 -9.822 8.892 1.00 0.00 H new ATOM 914 N ASN A 79 -5.345 -7.943 8.875 1.00 0.00 N ATOM 915 CA ASN A 79 -4.789 -6.911 9.750 1.00 0.00 C ATOM 916 C ASN A 79 -4.548 -5.614 9.007 1.00 0.00 C ATOM 917 O ASN A 79 -4.691 -4.562 9.610 1.00 0.00 O ATOM 918 CB ASN A 79 -3.446 -7.374 10.374 1.00 0.00 C ATOM 919 CG ASN A 79 -3.012 -6.438 11.480 1.00 0.00 C ATOM 920 OD1 ASN A 79 -3.426 -6.647 12.609 1.00 0.00 O ATOM 921 ND2 ASN A 79 -2.192 -5.399 11.202 1.00 0.00 N ATOM 0 H ASN A 79 -4.740 -8.750 8.725 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.526 -6.743 10.535 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.553 -8.384 10.769 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.677 -7.413 9.603 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.903 -4.764 11.946 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.863 -5.250 10.248 1.00 0.00 H new ATOM 928 N LEU A 80 -4.167 -5.658 7.709 1.00 0.00 N ATOM 929 CA LEU A 80 -3.869 -4.422 6.985 1.00 0.00 C ATOM 930 C LEU A 80 -5.183 -3.765 6.629 1.00 0.00 C ATOM 931 O LEU A 80 -5.362 -2.592 6.917 1.00 0.00 O ATOM 932 CB LEU A 80 -3.025 -4.661 5.700 1.00 0.00 C ATOM 933 CG LEU A 80 -1.532 -5.024 5.949 1.00 0.00 C ATOM 934 CD1 LEU A 80 -0.703 -3.801 6.405 1.00 0.00 C ATOM 935 CD2 LEU A 80 -1.324 -6.176 6.956 1.00 0.00 C ATOM 0 H LEU A 80 -4.064 -6.514 7.164 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.266 -3.781 7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.487 -5.463 5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.067 -3.763 5.084 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.176 -5.367 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.332 -4.103 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.740 -3.029 5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.115 -3.408 7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.258 -6.368 7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.752 -5.899 7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.816 -7.076 6.586 1.00 0.00 H new ATOM 947 N LYS A 81 -6.128 -4.514 6.015 1.00 0.00 N ATOM 948 CA LYS A 81 -7.463 -3.967 5.791 1.00 0.00 C ATOM 949 C LYS A 81 -7.952 -3.352 7.082 1.00 0.00 C ATOM 950 O LYS A 81 -8.441 -2.239 7.031 1.00 0.00 O ATOM 951 CB LYS A 81 -8.531 -5.006 5.337 1.00 0.00 C ATOM 952 CG LYS A 81 -8.755 -4.998 3.801 1.00 0.00 C ATOM 953 CD LYS A 81 -9.969 -5.877 3.381 1.00 0.00 C ATOM 954 CE LYS A 81 -9.802 -7.377 3.749 1.00 0.00 C ATOM 955 NZ LYS A 81 -10.936 -8.184 3.243 1.00 0.00 N ATOM 0 H LYS A 81 -5.988 -5.467 5.680 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.356 -3.248 4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.219 -6.003 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.475 -4.795 5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.916 -3.974 3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.856 -5.360 3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.870 -5.492 3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.117 -5.789 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.869 -7.755 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.732 -7.483 4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.796 -9.181 3.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.823 -7.837 3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.986 -8.101 2.208 1.00 0.00 H new ATOM 969 N THR A 82 -7.834 -4.027 8.246 1.00 0.00 N ATOM 970 CA THR A 82 -8.301 -3.411 9.491 1.00 0.00 C ATOM 971 C THR A 82 -7.768 -1.999 9.634 1.00 0.00 C ATOM 972 O THR A 82 -8.506 -1.121 10.055 1.00 0.00 O ATOM 973 CB THR A 82 -7.951 -4.277 10.733 1.00 0.00 C ATOM 974 OG1 THR A 82 -8.910 -5.348 10.783 1.00 0.00 O ATOM 975 CG2 THR A 82 -7.974 -3.465 12.055 1.00 0.00 C ATOM 0 H THR A 82 -7.435 -4.961 8.343 1.00 0.00 H new ATOM 0 HA THR A 82 -9.388 -3.355 9.438 1.00 0.00 H new ATOM 0 HB THR A 82 -6.933 -4.654 10.635 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.663 -6.039 10.133 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.722 -4.120 12.889 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.247 -2.655 11.997 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.969 -3.048 12.209 1.00 0.00 H new ATOM 983 N GLU A 83 -6.489 -1.744 9.288 1.00 0.00 N ATOM 984 CA GLU A 83 -5.978 -0.375 9.374 1.00 0.00 C ATOM 985 C GLU A 83 -6.724 0.482 8.369 1.00 0.00 C ATOM 986 O GLU A 83 -7.063 1.611 8.687 1.00 0.00 O ATOM 987 CB GLU A 83 -4.446 -0.287 9.120 1.00 0.00 C ATOM 988 CG GLU A 83 -3.618 -1.131 10.129 1.00 0.00 C ATOM 989 CD GLU A 83 -3.546 -0.495 11.496 1.00 0.00 C ATOM 990 OE1 GLU A 83 -4.563 -0.551 12.241 1.00 0.00 O ATOM 991 OE2 GLU A 83 -2.467 0.060 11.843 1.00 0.00 O ATOM 0 H GLU A 83 -5.821 -2.441 8.960 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.143 -0.015 10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.230 -0.626 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.132 0.755 9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.061 -2.123 10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.608 -1.266 9.741 1.00 0.00 H new ATOM 998 N MET A 84 -7.002 -0.033 7.147 1.00 0.00 N ATOM 999 CA MET A 84 -7.746 0.758 6.164 1.00 0.00 C ATOM 1000 C MET A 84 -9.143 1.020 6.691 1.00 0.00 C ATOM 1001 O MET A 84 -9.556 2.169 6.701 1.00 0.00 O ATOM 1002 CB MET A 84 -7.825 0.098 4.755 1.00 0.00 C ATOM 1003 CG MET A 84 -6.417 -0.180 4.162 1.00 0.00 C ATOM 1004 SD MET A 84 -6.529 -0.902 2.489 1.00 0.00 S ATOM 1005 CE MET A 84 -7.291 0.436 1.516 1.00 0.00 C ATOM 0 H MET A 84 -6.728 -0.964 6.834 1.00 0.00 H new ATOM 0 HA MET A 84 -7.198 1.691 6.029 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.380 -0.837 4.824 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.380 0.750 4.080 1.00 0.00 H new ATOM 0 HG2 MET A 84 -5.848 0.749 4.122 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.872 -0.860 4.817 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.184 0.219 0.453 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.349 0.511 1.767 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.796 1.380 1.745 1.00 0.00 H new ATOM 1015 N ASP A 85 -9.875 -0.027 7.145 1.00 0.00 N ATOM 1016 CA ASP A 85 -11.184 0.154 7.774 1.00 0.00 C ATOM 1017 C ASP A 85 -11.145 1.365 8.680 1.00 0.00 C ATOM 1018 O ASP A 85 -12.074 2.157 8.665 1.00 0.00 O ATOM 1019 CB ASP A 85 -11.610 -1.088 8.607 1.00 0.00 C ATOM 1020 CG ASP A 85 -12.971 -0.904 9.233 1.00 0.00 C ATOM 1021 OD1 ASP A 85 -13.954 -0.698 8.468 1.00 0.00 O ATOM 1022 OD2 ASP A 85 -13.070 -0.965 10.490 1.00 0.00 O ATOM 0 H ASP A 85 -9.572 -0.999 7.082 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.915 0.292 6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.621 -1.969 7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.873 -1.272 9.388 1.00 0.00 H new ATOM 1027 N GLU A 86 -10.054 1.514 9.470 1.00 0.00 N ATOM 1028 CA GLU A 86 -9.964 2.638 10.401 1.00 0.00 C ATOM 1029 C GLU A 86 -10.084 3.957 9.660 1.00 0.00 C ATOM 1030 O GLU A 86 -10.774 4.825 10.164 1.00 0.00 O ATOM 1031 CB GLU A 86 -8.745 2.560 11.384 1.00 0.00 C ATOM 1032 CG GLU A 86 -7.658 3.645 11.171 1.00 0.00 C ATOM 1033 CD GLU A 86 -8.121 5.016 11.605 1.00 0.00 C ATOM 1034 OE1 GLU A 86 -8.606 5.141 12.765 1.00 0.00 O ATOM 1035 OE2 GLU A 86 -8.001 5.976 10.797 1.00 0.00 O ATOM 0 H GLU A 86 -9.252 0.884 9.475 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.821 2.570 11.071 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -9.117 2.636 12.406 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.281 1.579 11.286 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.762 3.373 11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.380 3.675 10.118 1.00 0.00 H new ATOM 1042 N TYR A 87 -9.454 4.149 8.476 1.00 0.00 N ATOM 1043 CA TYR A 87 -9.613 5.412 7.740 1.00 0.00 C ATOM 1044 C TYR A 87 -11.063 5.754 7.532 1.00 0.00 C ATOM 1045 O TYR A 87 -11.451 6.879 7.796 1.00 0.00 O ATOM 1046 CB TYR A 87 -9.055 5.349 6.288 1.00 0.00 C ATOM 1047 CG TYR A 87 -9.156 6.681 5.510 1.00 0.00 C ATOM 1048 CD1 TYR A 87 -10.298 6.978 4.751 1.00 0.00 C ATOM 1049 CD2 TYR A 87 -8.114 7.612 5.511 1.00 0.00 C ATOM 1050 CE1 TYR A 87 -10.352 8.109 3.938 1.00 0.00 C ATOM 1051 CE2 TYR A 87 -8.152 8.747 4.687 1.00 0.00 C ATOM 1052 CZ TYR A 87 -9.261 8.988 3.874 1.00 0.00 C ATOM 1053 OH TYR A 87 -9.310 10.081 3.001 1.00 0.00 O ATOM 0 H TYR A 87 -8.849 3.463 8.026 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.077 6.136 8.354 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.010 5.042 6.326 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -9.594 4.578 5.737 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -11.151 6.318 4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.264 7.455 6.158 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -11.238 8.309 3.354 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.321 9.436 4.682 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.479 10.595 3.074 1.00 0.00 H new ATOM 1063 N ILE A 88 -11.864 4.798 7.015 1.00 0.00 N ATOM 1064 CA ILE A 88 -13.217 5.136 6.593 1.00 0.00 C ATOM 1065 C ILE A 88 -14.009 5.394 7.853 1.00 0.00 C ATOM 1066 O ILE A 88 -14.722 6.381 7.926 1.00 0.00 O ATOM 1067 CB ILE A 88 -13.866 4.049 5.675 1.00 0.00 C ATOM 1068 CG1 ILE A 88 -12.927 3.581 4.511 1.00 0.00 C ATOM 1069 CG2 ILE A 88 -15.191 4.616 5.090 1.00 0.00 C ATOM 1070 CD1 ILE A 88 -12.400 2.131 4.681 1.00 0.00 C ATOM 0 H ILE A 88 -11.599 3.821 6.887 1.00 0.00 H new ATOM 0 HA ILE A 88 -13.204 6.025 5.962 1.00 0.00 H new ATOM 0 HB ILE A 88 -14.054 3.169 6.290 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.468 3.653 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.078 4.262 4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -15.655 3.868 4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.871 4.866 5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -14.977 5.512 4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.757 1.876 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.830 2.057 5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.242 1.440 4.717 1.00 0.00 H new ATOM 1082 N ARG A 89 -13.879 4.519 8.875 1.00 0.00 N ATOM 1083 CA ARG A 89 -14.580 4.760 10.135 1.00 0.00 C ATOM 1084 C ARG A 89 -14.106 6.049 10.786 1.00 0.00 C ATOM 1085 O ARG A 89 -14.895 6.717 11.437 1.00 0.00 O ATOM 1086 CB ARG A 89 -14.381 3.551 11.090 1.00 0.00 C ATOM 1087 CG ARG A 89 -14.876 2.214 10.448 1.00 0.00 C ATOM 1088 CD ARG A 89 -15.939 1.510 11.335 1.00 0.00 C ATOM 1089 NE ARG A 89 -15.406 1.238 12.672 1.00 0.00 N ATOM 1090 CZ ARG A 89 -16.156 0.954 13.717 1.00 0.00 C ATOM 1091 NH1 ARG A 89 -17.459 0.810 13.640 1.00 0.00 N ATOM 1092 NH2 ARG A 89 -15.574 0.809 14.886 1.00 0.00 N ATOM 0 H ARG A 89 -13.313 3.671 8.847 1.00 0.00 H new ATOM 0 HA ARG A 89 -15.644 4.870 9.925 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -13.326 3.461 11.347 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -14.922 3.730 12.019 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -15.300 2.417 9.465 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -14.028 1.546 10.298 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -16.827 2.138 11.414 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -16.250 0.576 10.866 1.00 0.00 H new ATOM 0 HE ARG A 89 -14.395 1.270 12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -17.932 0.918 12.743 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -17.998 0.590 14.477 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.563 0.917 14.969 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -16.133 0.589 15.710 1.00 0.00 H new ATOM 1106 N ASN A 90 -12.813 6.411 10.614 1.00 0.00 N ATOM 1107 CA ASN A 90 -12.279 7.663 11.162 1.00 0.00 C ATOM 1108 C ASN A 90 -12.684 8.856 10.323 1.00 0.00 C ATOM 1109 O ASN A 90 -12.732 9.951 10.862 1.00 0.00 O ATOM 1110 CB ASN A 90 -10.726 7.605 11.208 1.00 0.00 C ATOM 1111 CG ASN A 90 -10.063 8.841 11.777 1.00 0.00 C ATOM 1112 OD1 ASN A 90 -10.655 9.524 12.594 1.00 0.00 O ATOM 1113 ND2 ASN A 90 -8.809 9.143 11.361 1.00 0.00 N ATOM 0 H ASN A 90 -12.130 5.852 10.102 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.689 7.777 12.165 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -10.426 6.742 11.802 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.352 7.441 10.197 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -8.332 9.964 11.734 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -8.342 8.549 10.675 1.00 0.00 H new