USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 777 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 Single : A 21 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : A 22 GLN : amide:sc= -0.889 K(o=-0.89,f=0) USER MOD Single : A 25 HIS : no HD1:sc=-0.00213 X(o=-0.0021,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= -0.0862 (180deg=-0.515) USER MOD Single : A 33 HIS : no HD1:sc= -0.647 K(o=-0.65,f=-0.011) USER MOD Single : A 35 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 36 HIS : no HE2:sc= 1.16 K(o=1.2,f=-5.8!) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= 0.312 (180deg=-0.108) USER MOD Single : A 44 THR OG1 : rot 173:sc= 0.692 USER MOD Single : A 46 ASN : amide:sc= 0.596 K(o=0.6,f=-6.5!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= -0.0332 (180deg=-0.172) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 73:sc= 1.11 USER MOD Single : A 67 SER OG : rot 79:sc= 1.26 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.2!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -149:sc= 1.14 (180deg=0.705) USER MOD Single : A 87 ASN : amide:sc= 0.991 K(o=0.99,f=0) USER MOD Single : A 94 THR OG1 : rot 62:sc= 1.26 USER MOD Single : A 100 LYS NZ :NH3+ 146:sc= 0.889 (180deg=0.39) USER MOD Single : A 103 LYS NZ :NH3+ 137:sc= 0.254 (180deg=-1.81!) USER MOD Single : A 106 GLN : amide:sc= -0.95 K(o=-0.95,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0801 X(o=-0.08,f=-0.2) USER MOD Single : A 112 SER OG : rot 67:sc= 0.396 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 20 11.131 7.859 1.139 1.00 0.00 N ATOM 32 CA ALA A 20 10.438 6.603 1.329 1.00 0.00 C ATOM 33 C ALA A 20 8.925 6.817 1.276 1.00 0.00 C ATOM 34 O ALA A 20 8.217 6.118 0.542 1.00 0.00 O ATOM 35 CB ALA A 20 10.845 5.970 2.642 1.00 0.00 C ATOM 0 HA ALA A 20 10.716 5.925 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.315 5.026 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.919 5.786 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.594 6.642 3.463 1.00 0.00 H new ATOM 41 N THR A 21 8.449 7.822 1.991 1.00 0.00 N ATOM 42 CA THR A 21 7.044 8.142 2.008 1.00 0.00 C ATOM 43 C THR A 21 6.594 8.734 0.681 1.00 0.00 C ATOM 44 O THR A 21 5.497 8.500 0.258 1.00 0.00 O ATOM 45 CB THR A 21 6.686 9.065 3.187 1.00 0.00 C ATOM 46 OG1 THR A 21 7.743 10.013 3.390 1.00 0.00 O ATOM 47 CG2 THR A 21 6.452 8.274 4.461 1.00 0.00 C ATOM 0 H THR A 21 9.026 8.432 2.570 1.00 0.00 H new ATOM 0 HA THR A 21 6.500 7.208 2.152 1.00 0.00 H new ATOM 0 HB THR A 21 5.761 9.587 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.515 10.602 4.139 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.202 8.957 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.630 7.574 4.309 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.356 7.722 4.718 1.00 0.00 H new ATOM 55 N GLN A 22 7.485 9.470 0.011 1.00 0.00 N ATOM 56 CA GLN A 22 7.199 10.017 -1.325 1.00 0.00 C ATOM 57 C GLN A 22 6.870 8.896 -2.306 1.00 0.00 C ATOM 58 O GLN A 22 5.904 8.967 -3.071 1.00 0.00 O ATOM 59 CB GLN A 22 8.397 10.785 -1.866 1.00 0.00 C ATOM 60 CG GLN A 22 8.735 12.074 -1.144 1.00 0.00 C ATOM 61 CD GLN A 22 10.035 12.689 -1.648 1.00 0.00 C ATOM 62 OE1 GLN A 22 10.742 13.362 -0.909 1.00 0.00 O ATOM 63 NE2 GLN A 22 10.373 12.448 -2.897 1.00 0.00 N ATOM 0 H GLN A 22 8.411 9.703 0.369 1.00 0.00 H new ATOM 0 HA GLN A 22 6.346 10.688 -1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.269 10.132 -1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.213 11.016 -2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.922 12.787 -1.277 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.817 11.879 -0.075 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.765 11.884 -3.490 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.243 12.825 -3.272 1.00 0.00 H new ATOM 72 N ARG A 23 7.656 7.844 -2.253 1.00 0.00 N ATOM 73 CA ARG A 23 7.480 6.728 -3.150 1.00 0.00 C ATOM 74 C ARG A 23 6.298 5.846 -2.757 1.00 0.00 C ATOM 75 O ARG A 23 5.667 5.234 -3.616 1.00 0.00 O ATOM 76 CB ARG A 23 8.780 5.929 -3.300 1.00 0.00 C ATOM 77 CG ARG A 23 9.862 6.705 -4.053 1.00 0.00 C ATOM 78 CD ARG A 23 11.164 5.926 -4.187 1.00 0.00 C ATOM 79 NE ARG A 23 11.868 5.773 -2.903 1.00 0.00 N ATOM 80 CZ ARG A 23 13.171 5.409 -2.782 1.00 0.00 C ATOM 81 NH1 ARG A 23 13.877 5.056 -3.855 1.00 0.00 N ATOM 82 NH2 ARG A 23 13.749 5.374 -1.585 1.00 0.00 N ATOM 0 H ARG A 23 8.427 7.740 -1.594 1.00 0.00 H new ATOM 0 HA ARG A 23 7.235 7.136 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.153 5.659 -2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.572 4.998 -3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.494 6.961 -5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.057 7.643 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.952 4.940 -4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.816 6.435 -4.896 1.00 0.00 H new ATOM 0 HE ARG A 23 11.342 5.952 -2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.440 5.058 -4.776 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.855 4.784 -3.755 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.214 5.621 -0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.728 5.100 -1.499 1.00 0.00 H new ATOM 96 N PHE A 24 5.967 5.805 -1.477 1.00 0.00 N ATOM 97 CA PHE A 24 4.840 4.989 -1.020 1.00 0.00 C ATOM 98 C PHE A 24 3.570 5.802 -0.877 1.00 0.00 C ATOM 99 O PHE A 24 2.500 5.273 -0.563 1.00 0.00 O ATOM 100 CB PHE A 24 5.180 4.192 0.255 1.00 0.00 C ATOM 101 CG PHE A 24 6.054 2.977 -0.003 1.00 0.00 C ATOM 102 CD1 PHE A 24 6.647 2.776 -1.242 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.248 2.018 0.975 1.00 0.00 C ATOM 104 CE1 PHE A 24 7.408 1.670 -1.492 1.00 0.00 C ATOM 105 CE2 PHE A 24 7.011 0.897 0.718 1.00 0.00 C ATOM 106 CZ PHE A 24 7.591 0.724 -0.511 1.00 0.00 C ATOM 0 H PHE A 24 6.451 6.317 -0.740 1.00 0.00 H new ATOM 0 HA PHE A 24 4.646 4.252 -1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.687 4.850 0.961 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.253 3.869 0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.504 3.508 -2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.798 2.148 1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.866 1.538 -2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.151 0.153 1.489 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.190 -0.153 -0.709 1.00 0.00 H new ATOM 116 N HIS A 25 3.682 7.073 -1.200 1.00 0.00 N ATOM 117 CA HIS A 25 2.572 8.024 -1.158 1.00 0.00 C ATOM 118 C HIS A 25 1.529 7.641 -2.197 1.00 0.00 C ATOM 119 O HIS A 25 0.356 7.970 -2.070 1.00 0.00 O ATOM 120 CB HIS A 25 3.101 9.437 -1.429 1.00 0.00 C ATOM 121 CG HIS A 25 2.096 10.534 -1.305 1.00 0.00 C ATOM 122 ND1 HIS A 25 1.722 11.324 -2.357 1.00 0.00 N ATOM 123 CD2 HIS A 25 1.442 11.013 -0.229 1.00 0.00 C ATOM 124 CE1 HIS A 25 0.891 12.244 -1.933 1.00 0.00 C ATOM 125 NE2 HIS A 25 0.704 12.077 -0.646 1.00 0.00 N ATOM 0 H HIS A 25 4.561 7.490 -1.506 1.00 0.00 H new ATOM 0 HA HIS A 25 2.108 8.002 -0.172 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.920 9.638 -0.738 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.519 9.463 -2.435 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.494 10.625 0.777 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.436 13.011 -2.542 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.103 12.651 -0.054 1.00 0.00 H new ATOM 134 N GLU A 26 1.974 6.934 -3.208 1.00 0.00 N ATOM 135 CA GLU A 26 1.104 6.443 -4.245 1.00 0.00 C ATOM 136 C GLU A 26 0.130 5.425 -3.670 1.00 0.00 C ATOM 137 O GLU A 26 -1.065 5.470 -3.941 1.00 0.00 O ATOM 138 CB GLU A 26 1.936 5.840 -5.363 1.00 0.00 C ATOM 139 CG GLU A 26 1.127 5.256 -6.497 1.00 0.00 C ATOM 140 CD GLU A 26 1.988 4.915 -7.661 1.00 0.00 C ATOM 141 OE1 GLU A 26 2.598 3.826 -7.686 1.00 0.00 O ATOM 142 OE2 GLU A 26 2.111 5.759 -8.567 1.00 0.00 O ATOM 0 H GLU A 26 2.955 6.683 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 26 0.522 7.268 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.597 6.609 -5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.571 5.059 -4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.608 4.362 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.362 5.969 -6.805 1.00 0.00 H new ATOM 149 N ILE A 27 0.638 4.566 -2.812 1.00 0.00 N ATOM 150 CA ILE A 27 -0.179 3.552 -2.193 1.00 0.00 C ATOM 151 C ILE A 27 -1.106 4.224 -1.180 1.00 0.00 C ATOM 152 O ILE A 27 -2.257 3.826 -1.017 1.00 0.00 O ATOM 153 CB ILE A 27 0.637 2.381 -1.525 1.00 0.00 C ATOM 154 CG1 ILE A 27 1.546 1.635 -2.544 1.00 0.00 C ATOM 155 CG2 ILE A 27 -0.317 1.376 -0.887 1.00 0.00 C ATOM 156 CD1 ILE A 27 2.795 2.378 -2.989 1.00 0.00 C ATOM 0 H ILE A 27 1.618 4.552 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.754 3.071 -2.984 1.00 0.00 H new ATOM 0 HB ILE A 27 1.278 2.834 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.850 0.685 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.952 1.401 -3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.257 0.571 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.915 1.875 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.975 0.963 -1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.351 1.764 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.510 3.315 -3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.421 2.589 -2.122 1.00 0.00 H new ATOM 168 N GLU A 28 -0.599 5.280 -0.538 1.00 0.00 N ATOM 169 CA GLU A 28 -1.401 6.085 0.382 1.00 0.00 C ATOM 170 C GLU A 28 -2.599 6.667 -0.372 1.00 0.00 C ATOM 171 O GLU A 28 -3.729 6.671 0.133 1.00 0.00 O ATOM 172 CB GLU A 28 -0.563 7.215 0.992 1.00 0.00 C ATOM 173 CG GLU A 28 -1.334 8.100 1.961 1.00 0.00 C ATOM 174 CD GLU A 28 -0.484 9.166 2.579 1.00 0.00 C ATOM 175 OE1 GLU A 28 0.399 8.831 3.378 1.00 0.00 O ATOM 176 OE2 GLU A 28 -0.704 10.368 2.313 1.00 0.00 O ATOM 0 H GLU A 28 0.365 5.596 -0.640 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.752 5.449 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.291 6.781 1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.165 7.834 0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.167 8.566 1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.761 7.481 2.749 1.00 0.00 H new ATOM 183 N LYS A 29 -2.343 7.120 -1.602 1.00 0.00 N ATOM 184 CA LYS A 29 -3.399 7.609 -2.471 1.00 0.00 C ATOM 185 C LYS A 29 -4.418 6.538 -2.717 1.00 0.00 C ATOM 186 O LYS A 29 -5.612 6.783 -2.597 1.00 0.00 O ATOM 187 CB LYS A 29 -2.871 8.144 -3.799 1.00 0.00 C ATOM 188 CG LYS A 29 -2.266 9.519 -3.702 1.00 0.00 C ATOM 189 CD LYS A 29 -1.826 10.030 -5.056 1.00 0.00 C ATOM 190 CE LYS A 29 -1.455 11.503 -4.990 1.00 0.00 C ATOM 191 NZ LYS A 29 -2.620 12.351 -4.616 1.00 0.00 N ATOM 0 H LYS A 29 -1.410 7.155 -2.013 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.868 8.444 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.121 7.454 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.687 8.166 -4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.993 10.208 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.411 9.494 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.971 9.452 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.627 9.886 -5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.655 11.644 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.068 11.824 -5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.454 13.328 -4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.479 11.981 -5.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.742 12.338 -3.583 1.00 0.00 H new ATOM 205 N PHE A 30 -3.954 5.344 -3.029 1.00 0.00 N ATOM 206 CA PHE A 30 -4.838 4.214 -3.241 1.00 0.00 C ATOM 207 C PHE A 30 -5.689 3.942 -2.033 1.00 0.00 C ATOM 208 O PHE A 30 -6.892 3.789 -2.165 1.00 0.00 O ATOM 209 CB PHE A 30 -4.078 2.964 -3.652 1.00 0.00 C ATOM 210 CG PHE A 30 -3.790 2.892 -5.123 1.00 0.00 C ATOM 211 CD1 PHE A 30 -2.697 3.536 -5.672 1.00 0.00 C ATOM 212 CD2 PHE A 30 -4.636 2.185 -5.962 1.00 0.00 C ATOM 213 CE1 PHE A 30 -2.447 3.478 -7.029 1.00 0.00 C ATOM 214 CE2 PHE A 30 -4.394 2.124 -7.321 1.00 0.00 C ATOM 215 CZ PHE A 30 -3.296 2.772 -7.855 1.00 0.00 C ATOM 0 H PHE A 30 -2.963 5.130 -3.142 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.497 4.486 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.137 2.925 -3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.654 2.086 -3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.029 4.092 -5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.494 1.676 -5.549 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.588 3.985 -7.443 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.062 1.571 -7.965 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.103 2.725 -8.917 1.00 0.00 H new ATOM 225 N LEU A 31 -5.085 3.953 -0.864 1.00 0.00 N ATOM 226 CA LEU A 31 -5.811 3.698 0.368 1.00 0.00 C ATOM 227 C LEU A 31 -6.885 4.747 0.585 1.00 0.00 C ATOM 228 O LEU A 31 -8.038 4.406 0.893 1.00 0.00 O ATOM 229 CB LEU A 31 -4.873 3.630 1.578 1.00 0.00 C ATOM 230 CG LEU A 31 -3.760 2.580 1.521 1.00 0.00 C ATOM 231 CD1 LEU A 31 -2.925 2.625 2.786 1.00 0.00 C ATOM 232 CD2 LEU A 31 -4.330 1.187 1.306 1.00 0.00 C ATOM 0 H LEU A 31 -4.090 4.136 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.289 2.724 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.412 4.609 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.475 3.441 2.467 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.119 2.814 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.138 1.873 2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.476 3.613 2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.560 2.422 3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.516 0.463 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.001 0.938 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.881 1.161 0.366 1.00 0.00 H new ATOM 244 N LEU A 32 -6.540 6.013 0.387 1.00 0.00 N ATOM 245 CA LEU A 32 -7.514 7.064 0.556 1.00 0.00 C ATOM 246 C LEU A 32 -8.604 7.007 -0.514 1.00 0.00 C ATOM 247 O LEU A 32 -9.767 7.269 -0.215 1.00 0.00 O ATOM 248 CB LEU A 32 -6.887 8.475 0.776 1.00 0.00 C ATOM 249 CG LEU A 32 -5.983 9.071 -0.319 1.00 0.00 C ATOM 250 CD1 LEU A 32 -6.784 9.629 -1.492 1.00 0.00 C ATOM 251 CD2 LEU A 32 -5.063 10.131 0.261 1.00 0.00 C ATOM 0 H LEU A 32 -5.608 6.326 0.114 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.022 6.870 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.705 9.176 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.306 8.436 1.697 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.373 8.256 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.101 10.038 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.376 8.831 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.448 10.417 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.433 10.539 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.660 10.931 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.434 9.685 1.032 1.00 0.00 H new ATOM 263 N HIS A 33 -8.228 6.614 -1.752 1.00 0.00 N ATOM 264 CA HIS A 33 -9.220 6.433 -2.829 1.00 0.00 C ATOM 265 C HIS A 33 -10.182 5.386 -2.432 1.00 0.00 C ATOM 266 O HIS A 33 -11.361 5.609 -2.404 1.00 0.00 O ATOM 267 CB HIS A 33 -8.627 5.950 -4.159 1.00 0.00 C ATOM 268 CG HIS A 33 -7.794 6.899 -4.899 1.00 0.00 C ATOM 269 ND1 HIS A 33 -8.202 8.149 -5.239 1.00 0.00 N ATOM 270 CD2 HIS A 33 -6.564 6.759 -5.400 1.00 0.00 C ATOM 271 CE1 HIS A 33 -7.258 8.732 -5.911 1.00 0.00 C ATOM 272 NE2 HIS A 33 -6.249 7.903 -6.020 1.00 0.00 N ATOM 0 H HIS A 33 -7.264 6.420 -2.024 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.665 7.418 -2.973 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.031 5.059 -3.960 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.450 5.645 -4.806 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -5.938 5.883 -5.320 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.297 9.733 -6.313 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -5.369 8.097 -6.498 1.00 0.00 H new ATOM 281 N ILE A 34 -9.646 4.261 -2.042 1.00 0.00 N ATOM 282 CA ILE A 34 -10.451 3.113 -1.698 1.00 0.00 C ATOM 283 C ILE A 34 -11.377 3.416 -0.517 1.00 0.00 C ATOM 284 O ILE A 34 -12.544 3.096 -0.571 1.00 0.00 O ATOM 285 CB ILE A 34 -9.558 1.862 -1.470 1.00 0.00 C ATOM 286 CG1 ILE A 34 -8.851 1.529 -2.804 1.00 0.00 C ATOM 287 CG2 ILE A 34 -10.367 0.666 -0.956 1.00 0.00 C ATOM 288 CD1 ILE A 34 -7.870 0.390 -2.745 1.00 0.00 C ATOM 0 H ILE A 34 -8.641 4.111 -1.953 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.104 2.880 -2.539 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.820 2.080 -0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.610 1.294 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.328 2.420 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.704 -0.186 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.838 0.926 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.136 0.407 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.430 0.238 -3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.083 0.624 -2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.386 -0.518 -2.433 1.00 0.00 H new ATOM 300 N THR A 35 -10.877 4.122 0.474 1.00 0.00 N ATOM 301 CA THR A 35 -11.693 4.542 1.614 1.00 0.00 C ATOM 302 C THR A 35 -12.853 5.468 1.123 1.00 0.00 C ATOM 303 O THR A 35 -14.027 5.289 1.497 1.00 0.00 O ATOM 304 CB THR A 35 -10.818 5.314 2.616 1.00 0.00 C ATOM 305 OG1 THR A 35 -9.667 4.522 2.982 1.00 0.00 O ATOM 306 CG2 THR A 35 -11.584 5.685 3.873 1.00 0.00 C ATOM 0 H THR A 35 -9.904 4.423 0.521 1.00 0.00 H new ATOM 0 HA THR A 35 -12.113 3.660 2.097 1.00 0.00 H new ATOM 0 HB THR A 35 -10.502 6.234 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.922 4.731 2.381 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.927 6.229 4.552 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.434 6.314 3.609 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.942 4.779 4.362 1.00 0.00 H new ATOM 314 N HIS A 36 -12.505 6.411 0.251 1.00 0.00 N ATOM 315 CA HIS A 36 -13.450 7.369 -0.338 1.00 0.00 C ATOM 316 C HIS A 36 -14.474 6.637 -1.221 1.00 0.00 C ATOM 317 O HIS A 36 -15.650 7.001 -1.270 1.00 0.00 O ATOM 318 CB HIS A 36 -12.657 8.413 -1.156 1.00 0.00 C ATOM 319 CG HIS A 36 -13.472 9.434 -1.899 1.00 0.00 C ATOM 320 ND1 HIS A 36 -13.810 9.292 -3.216 1.00 0.00 N ATOM 321 CD2 HIS A 36 -13.958 10.635 -1.522 1.00 0.00 C ATOM 322 CE1 HIS A 36 -14.455 10.349 -3.625 1.00 0.00 C ATOM 323 NE2 HIS A 36 -14.564 11.184 -2.619 1.00 0.00 N ATOM 0 H HIS A 36 -11.546 6.537 -0.074 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.002 7.878 0.452 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -11.984 8.939 -0.479 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.034 7.882 -1.876 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -13.590 8.480 -3.793 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -13.883 11.079 -0.540 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -14.835 10.510 -4.623 1.00 0.00 H new ATOM 332 N GLU A 37 -14.009 5.623 -1.901 1.00 0.00 N ATOM 333 CA GLU A 37 -14.823 4.798 -2.752 1.00 0.00 C ATOM 334 C GLU A 37 -15.752 3.903 -1.960 1.00 0.00 C ATOM 335 O GLU A 37 -16.845 3.628 -2.397 1.00 0.00 O ATOM 336 CB GLU A 37 -13.974 4.003 -3.730 1.00 0.00 C ATOM 337 CG GLU A 37 -13.705 4.714 -5.052 1.00 0.00 C ATOM 338 CD GLU A 37 -12.955 6.042 -4.956 1.00 0.00 C ATOM 339 OE1 GLU A 37 -13.545 7.058 -4.530 1.00 0.00 O ATOM 340 OE2 GLU A 37 -11.769 6.110 -5.357 1.00 0.00 O ATOM 0 H GLU A 37 -13.029 5.341 -1.878 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.455 5.467 -3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.020 3.768 -3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.470 3.055 -3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.135 4.043 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.660 4.893 -5.547 1.00 0.00 H new ATOM 347 N VAL A 38 -15.306 3.450 -0.800 1.00 0.00 N ATOM 348 CA VAL A 38 -16.145 2.716 0.134 1.00 0.00 C ATOM 349 C VAL A 38 -17.303 3.602 0.520 1.00 0.00 C ATOM 350 O VAL A 38 -18.448 3.179 0.558 1.00 0.00 O ATOM 351 CB VAL A 38 -15.368 2.304 1.415 1.00 0.00 C ATOM 352 CG1 VAL A 38 -16.304 1.666 2.445 1.00 0.00 C ATOM 353 CG2 VAL A 38 -14.291 1.314 1.070 1.00 0.00 C ATOM 0 H VAL A 38 -14.347 3.582 -0.478 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.487 1.801 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.928 3.206 1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.734 1.387 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.080 2.379 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.765 0.777 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.753 1.032 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.741 0.427 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.597 1.764 0.360 1.00 0.00 H new ATOM 363 N ASP A 39 -16.992 4.851 0.744 1.00 0.00 N ATOM 364 CA ASP A 39 -17.995 5.827 1.079 1.00 0.00 C ATOM 365 C ASP A 39 -18.962 6.023 -0.103 1.00 0.00 C ATOM 366 O ASP A 39 -20.222 6.030 0.049 1.00 0.00 O ATOM 367 CB ASP A 39 -17.334 7.144 1.490 1.00 0.00 C ATOM 368 CG ASP A 39 -18.311 8.268 1.701 1.00 0.00 C ATOM 369 OD1 ASP A 39 -18.944 8.338 2.778 1.00 0.00 O ATOM 370 OD2 ASP A 39 -18.432 9.125 0.802 1.00 0.00 O ATOM 0 H ASP A 39 -16.042 5.219 0.700 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.576 5.467 1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.770 6.986 2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.617 7.436 0.723 1.00 0.00 H new ATOM 375 N ASP A 40 -18.381 6.086 -1.291 1.00 0.00 N ATOM 376 CA ASP A 40 -19.140 6.276 -2.487 1.00 0.00 C ATOM 377 C ASP A 40 -20.071 5.120 -2.694 1.00 0.00 C ATOM 378 O ASP A 40 -21.241 5.320 -2.838 1.00 0.00 O ATOM 379 CB ASP A 40 -18.250 6.441 -3.714 1.00 0.00 C ATOM 380 CG ASP A 40 -19.078 6.754 -4.943 1.00 0.00 C ATOM 381 OD1 ASP A 40 -19.556 5.843 -5.610 1.00 0.00 O ATOM 382 OD2 ASP A 40 -19.304 7.944 -5.227 1.00 0.00 O ATOM 0 H ASP A 40 -17.375 6.006 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 40 -19.711 7.197 -2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.531 7.241 -3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.678 5.528 -3.879 1.00 0.00 H new ATOM 387 N LEU A 41 -19.558 3.913 -2.570 1.00 0.00 N ATOM 388 CA LEU A 41 -20.337 2.722 -2.770 1.00 0.00 C ATOM 389 C LEU A 41 -21.408 2.598 -1.732 1.00 0.00 C ATOM 390 O LEU A 41 -22.492 2.146 -2.027 1.00 0.00 O ATOM 391 CB LEU A 41 -19.483 1.455 -2.977 1.00 0.00 C ATOM 392 CG LEU A 41 -18.480 1.076 -1.902 1.00 0.00 C ATOM 393 CD1 LEU A 41 -19.127 0.399 -0.707 1.00 0.00 C ATOM 394 CD2 LEU A 41 -17.387 0.234 -2.493 1.00 0.00 C ATOM 0 H LEU A 41 -18.583 3.737 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.856 2.825 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.164 0.614 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.938 1.572 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.043 1.998 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -18.362 0.151 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.857 1.073 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -19.627 -0.513 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.672 -0.033 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.816 -0.673 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.878 0.796 -3.276 1.00 0.00 H new ATOM 406 N GLU A 42 -21.114 3.058 -0.528 1.00 0.00 N ATOM 407 CA GLU A 42 -22.094 3.102 0.527 1.00 0.00 C ATOM 408 C GLU A 42 -23.304 3.960 0.141 1.00 0.00 C ATOM 409 O GLU A 42 -24.422 3.709 0.615 1.00 0.00 O ATOM 410 CB GLU A 42 -21.482 3.578 1.847 1.00 0.00 C ATOM 411 CG GLU A 42 -20.928 2.468 2.722 1.00 0.00 C ATOM 412 CD GLU A 42 -22.030 1.707 3.429 1.00 0.00 C ATOM 413 OE1 GLU A 42 -22.814 1.009 2.772 1.00 0.00 O ATOM 414 OE2 GLU A 42 -22.145 1.814 4.661 1.00 0.00 O ATOM 0 H GLU A 42 -20.194 3.408 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.447 2.081 0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -20.681 4.284 1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -22.241 4.122 2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -20.345 1.779 2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.248 2.892 3.460 1.00 0.00 H new ATOM 421 N LYS A 43 -23.110 4.952 -0.727 1.00 0.00 N ATOM 422 CA LYS A 43 -24.256 5.729 -1.183 1.00 0.00 C ATOM 423 C LYS A 43 -24.677 5.366 -2.619 1.00 0.00 C ATOM 424 O LYS A 43 -25.748 5.744 -3.092 1.00 0.00 O ATOM 425 CB LYS A 43 -24.093 7.265 -0.942 1.00 0.00 C ATOM 426 CG LYS A 43 -22.942 8.026 -1.636 1.00 0.00 C ATOM 427 CD LYS A 43 -23.127 8.162 -3.148 1.00 0.00 C ATOM 428 CE LYS A 43 -22.306 9.317 -3.728 1.00 0.00 C ATOM 429 NZ LYS A 43 -20.853 9.187 -3.497 1.00 0.00 N ATOM 0 H LYS A 43 -22.208 5.228 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.095 5.438 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -25.026 7.743 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.985 7.417 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.857 9.020 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.003 7.509 -1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -22.835 7.231 -3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.182 8.320 -3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.490 9.379 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.652 10.253 -3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -20.394 10.108 -3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.684 8.871 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.457 8.490 -4.160 1.00 0.00 H new ATOM 443 N THR A 44 -23.825 4.642 -3.279 1.00 0.00 N ATOM 444 CA THR A 44 -23.991 4.272 -4.662 1.00 0.00 C ATOM 445 C THR A 44 -24.539 2.823 -4.849 1.00 0.00 C ATOM 446 O THR A 44 -25.682 2.637 -5.275 1.00 0.00 O ATOM 447 CB THR A 44 -22.631 4.453 -5.376 1.00 0.00 C ATOM 448 OG1 THR A 44 -22.221 5.832 -5.382 1.00 0.00 O ATOM 449 CG2 THR A 44 -22.621 3.933 -6.762 1.00 0.00 C ATOM 0 H THR A 44 -22.968 4.279 -2.863 1.00 0.00 H new ATOM 0 HA THR A 44 -24.745 4.922 -5.105 1.00 0.00 H new ATOM 0 HB THR A 44 -21.921 3.861 -4.798 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.313 5.902 -5.743 1.00 0.00 H new ATOM 0 HG21 THR A 44 -21.637 4.092 -7.203 1.00 0.00 H new ATOM 0 HG22 THR A 44 -22.846 2.866 -6.752 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.373 4.457 -7.353 1.00 0.00 H new ATOM 457 N GLY A 45 -23.749 1.832 -4.501 1.00 0.00 N ATOM 458 CA GLY A 45 -24.116 0.446 -4.728 1.00 0.00 C ATOM 459 C GLY A 45 -23.141 -0.496 -4.064 1.00 0.00 C ATOM 460 O GLY A 45 -22.380 -1.211 -4.732 1.00 0.00 O ATOM 0 H GLY A 45 -22.840 1.959 -4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -25.119 0.265 -4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -24.146 0.246 -5.799 1.00 0.00 H new ATOM 464 N ASN A 46 -23.204 -0.523 -2.759 1.00 0.00 N ATOM 465 CA ASN A 46 -22.273 -1.243 -1.910 1.00 0.00 C ATOM 466 C ASN A 46 -22.261 -2.739 -2.126 1.00 0.00 C ATOM 467 O ASN A 46 -21.202 -3.352 -2.053 1.00 0.00 O ATOM 468 CB ASN A 46 -22.482 -0.916 -0.390 1.00 0.00 C ATOM 469 CG ASN A 46 -23.848 -1.327 0.232 1.00 0.00 C ATOM 470 OD1 ASN A 46 -24.525 -2.246 -0.210 1.00 0.00 O ATOM 471 ND2 ASN A 46 -24.219 -0.687 1.300 1.00 0.00 N ATOM 0 H ASN A 46 -23.926 -0.030 -2.234 1.00 0.00 H new ATOM 0 HA ASN A 46 -21.293 -0.879 -2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.689 -1.406 0.176 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -22.355 0.158 -0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -25.081 -0.949 1.778 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.648 0.077 1.661 1.00 0.00 H new ATOM 478 N LYS A 47 -23.412 -3.311 -2.465 1.00 0.00 N ATOM 479 CA LYS A 47 -23.568 -4.759 -2.462 1.00 0.00 C ATOM 480 C LYS A 47 -22.626 -5.497 -3.413 1.00 0.00 C ATOM 481 O LYS A 47 -22.204 -6.618 -3.129 1.00 0.00 O ATOM 482 CB LYS A 47 -25.035 -5.228 -2.674 1.00 0.00 C ATOM 483 CG LYS A 47 -25.580 -5.214 -4.120 1.00 0.00 C ATOM 484 CD LYS A 47 -25.817 -3.828 -4.683 1.00 0.00 C ATOM 485 CE LYS A 47 -26.393 -3.909 -6.089 1.00 0.00 C ATOM 486 NZ LYS A 47 -26.751 -2.581 -6.624 1.00 0.00 N ATOM 0 H LYS A 47 -24.247 -2.795 -2.744 1.00 0.00 H new ATOM 0 HA LYS A 47 -23.275 -5.038 -1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -25.123 -6.244 -2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -25.682 -4.599 -2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -24.877 -5.741 -4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -26.517 -5.770 -4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -26.501 -3.279 -4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -24.880 -3.272 -4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -25.667 -4.381 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -27.278 -4.546 -6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -27.139 -2.686 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -27.464 -2.140 -6.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -25.903 -1.980 -6.658 1.00 0.00 H new ATOM 500 N ASP A 48 -22.286 -4.865 -4.500 1.00 0.00 N ATOM 501 CA ASP A 48 -21.498 -5.512 -5.536 1.00 0.00 C ATOM 502 C ASP A 48 -20.109 -4.902 -5.599 1.00 0.00 C ATOM 503 O ASP A 48 -19.092 -5.598 -5.629 1.00 0.00 O ATOM 504 CB ASP A 48 -22.216 -5.319 -6.884 1.00 0.00 C ATOM 505 CG ASP A 48 -21.608 -6.096 -8.034 1.00 0.00 C ATOM 506 OD1 ASP A 48 -20.696 -5.587 -8.711 1.00 0.00 O ATOM 507 OD2 ASP A 48 -22.085 -7.215 -8.316 1.00 0.00 O ATOM 0 H ASP A 48 -22.539 -3.898 -4.702 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.396 -6.574 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -23.259 -5.616 -6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.212 -4.258 -7.136 1.00 0.00 H new ATOM 512 N GLU A 49 -20.089 -3.596 -5.537 1.00 0.00 N ATOM 513 CA GLU A 49 -18.900 -2.803 -5.734 1.00 0.00 C ATOM 514 C GLU A 49 -17.903 -2.940 -4.607 1.00 0.00 C ATOM 515 O GLU A 49 -16.712 -2.922 -4.858 1.00 0.00 O ATOM 516 CB GLU A 49 -19.303 -1.367 -5.975 1.00 0.00 C ATOM 517 CG GLU A 49 -18.226 -0.494 -6.556 1.00 0.00 C ATOM 518 CD GLU A 49 -18.778 0.828 -6.981 1.00 0.00 C ATOM 519 OE1 GLU A 49 -19.764 0.840 -7.754 1.00 0.00 O ATOM 520 OE2 GLU A 49 -18.244 1.872 -6.567 1.00 0.00 O ATOM 0 H GLU A 49 -20.921 -3.038 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 49 -18.376 -3.180 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -20.162 -1.354 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -19.631 -0.934 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.438 -0.343 -5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.770 -0.993 -7.411 1.00 0.00 H new ATOM 527 N LYS A 50 -18.373 -3.081 -3.374 1.00 0.00 N ATOM 528 CA LYS A 50 -17.461 -3.146 -2.237 1.00 0.00 C ATOM 529 C LYS A 50 -16.513 -4.344 -2.375 1.00 0.00 C ATOM 530 O LYS A 50 -15.326 -4.221 -2.137 1.00 0.00 O ATOM 531 CB LYS A 50 -18.237 -3.156 -0.898 1.00 0.00 C ATOM 532 CG LYS A 50 -17.457 -2.590 0.309 1.00 0.00 C ATOM 533 CD LYS A 50 -16.339 -3.471 0.770 1.00 0.00 C ATOM 534 CE LYS A 50 -16.759 -4.397 1.921 1.00 0.00 C ATOM 535 NZ LYS A 50 -17.755 -5.427 1.545 1.00 0.00 N ATOM 0 H LYS A 50 -19.363 -3.152 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.845 -2.247 -2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.154 -2.580 -1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.532 -4.181 -0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.052 -1.614 0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.149 -2.433 1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.986 -4.074 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -15.502 -2.852 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.872 -4.893 2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -17.169 -3.790 2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.870 -6.101 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -18.667 -4.970 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -17.427 -5.934 0.698 1.00 0.00 H new ATOM 549 N ALA A 51 -17.035 -5.467 -2.821 1.00 0.00 N ATOM 550 CA ALA A 51 -16.217 -6.663 -3.030 1.00 0.00 C ATOM 551 C ALA A 51 -15.205 -6.440 -4.169 1.00 0.00 C ATOM 552 O ALA A 51 -14.020 -6.822 -4.058 1.00 0.00 O ATOM 553 CB ALA A 51 -17.096 -7.863 -3.324 1.00 0.00 C ATOM 0 H ALA A 51 -18.022 -5.586 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.660 -6.860 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.471 -8.743 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.768 -8.036 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.682 -7.673 -4.224 1.00 0.00 H new ATOM 559 N ARG A 52 -15.669 -5.804 -5.233 1.00 0.00 N ATOM 560 CA ARG A 52 -14.839 -5.480 -6.391 1.00 0.00 C ATOM 561 C ARG A 52 -13.708 -4.558 -5.956 1.00 0.00 C ATOM 562 O ARG A 52 -12.524 -4.812 -6.225 1.00 0.00 O ATOM 563 CB ARG A 52 -15.695 -4.759 -7.433 1.00 0.00 C ATOM 564 CG ARG A 52 -14.974 -4.415 -8.724 1.00 0.00 C ATOM 565 CD ARG A 52 -15.032 -5.533 -9.767 1.00 0.00 C ATOM 566 NE ARG A 52 -14.463 -6.830 -9.337 1.00 0.00 N ATOM 567 CZ ARG A 52 -13.747 -7.650 -10.129 1.00 0.00 C ATOM 568 NH1 ARG A 52 -13.318 -7.238 -11.326 1.00 0.00 N ATOM 569 NH2 ARG A 52 -13.442 -8.872 -9.706 1.00 0.00 N ATOM 0 H ARG A 52 -16.637 -5.495 -5.322 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.427 -6.395 -6.816 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.556 -5.384 -7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.080 -3.839 -6.993 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.412 -3.511 -9.146 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.931 -4.190 -8.501 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.073 -5.688 -10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.503 -5.201 -10.661 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.625 -7.123 -8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.532 -6.294 -11.647 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.776 -7.868 -11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.750 -9.185 -8.785 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.900 -9.497 -10.302 1.00 0.00 H new ATOM 583 N LEU A 53 -14.088 -3.513 -5.257 1.00 0.00 N ATOM 584 CA LEU A 53 -13.179 -2.560 -4.726 1.00 0.00 C ATOM 585 C LEU A 53 -12.194 -3.205 -3.726 1.00 0.00 C ATOM 586 O LEU A 53 -11.035 -2.799 -3.630 1.00 0.00 O ATOM 587 CB LEU A 53 -13.957 -1.448 -4.064 1.00 0.00 C ATOM 588 CG LEU A 53 -13.098 -0.450 -3.374 1.00 0.00 C ATOM 589 CD1 LEU A 53 -12.319 0.406 -4.370 1.00 0.00 C ATOM 590 CD2 LEU A 53 -13.862 0.376 -2.378 1.00 0.00 C ATOM 0 H LEU A 53 -15.065 -3.310 -5.044 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.584 -2.155 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.559 -0.939 -4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.649 -1.880 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.363 -1.010 -2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.702 1.124 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.681 -0.234 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.017 0.941 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.188 1.089 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.659 0.916 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.294 -0.277 -1.619 1.00 0.00 H new ATOM 602 N LEU A 54 -12.647 -4.206 -2.989 1.00 0.00 N ATOM 603 CA LEU A 54 -11.751 -4.924 -2.098 1.00 0.00 C ATOM 604 C LEU A 54 -10.676 -5.637 -2.869 1.00 0.00 C ATOM 605 O LEU A 54 -9.547 -5.750 -2.410 1.00 0.00 O ATOM 606 CB LEU A 54 -12.449 -5.880 -1.140 1.00 0.00 C ATOM 607 CG LEU A 54 -13.320 -5.252 -0.064 1.00 0.00 C ATOM 608 CD1 LEU A 54 -13.751 -6.310 0.930 1.00 0.00 C ATOM 609 CD2 LEU A 54 -12.604 -4.102 0.639 1.00 0.00 C ATOM 0 H LEU A 54 -13.612 -4.536 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.297 -4.157 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.069 -6.558 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.688 -6.487 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.205 -4.833 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.375 -5.854 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.319 -7.084 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.870 -6.754 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.258 -3.678 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.693 -4.473 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.350 -3.332 -0.090 1.00 0.00 H new ATOM 621 N ARG A 55 -11.009 -6.106 -4.051 1.00 0.00 N ATOM 622 CA ARG A 55 -10.002 -6.752 -4.878 1.00 0.00 C ATOM 623 C ARG A 55 -9.004 -5.694 -5.349 1.00 0.00 C ATOM 624 O ARG A 55 -7.809 -5.959 -5.525 1.00 0.00 O ATOM 625 CB ARG A 55 -10.603 -7.459 -6.088 1.00 0.00 C ATOM 626 CG ARG A 55 -9.550 -8.197 -6.891 1.00 0.00 C ATOM 627 CD ARG A 55 -10.080 -8.733 -8.186 1.00 0.00 C ATOM 628 NE ARG A 55 -9.036 -9.453 -8.922 1.00 0.00 N ATOM 629 CZ ARG A 55 -8.955 -9.549 -10.253 1.00 0.00 C ATOM 630 NH1 ARG A 55 -9.710 -8.766 -11.022 1.00 0.00 N ATOM 631 NH2 ARG A 55 -8.051 -10.358 -10.807 1.00 0.00 N ATOM 0 H ARG A 55 -11.943 -6.057 -4.458 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.510 -7.514 -4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.366 -8.163 -5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.100 -6.728 -6.726 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.717 -7.524 -7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.156 -9.021 -6.296 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.919 -9.401 -7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.460 -7.913 -8.795 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.313 -9.919 -8.374 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.348 -8.095 -10.595 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.650 -8.838 -12.038 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.423 -10.902 -10.215 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.988 -10.433 -11.822 1.00 0.00 H new ATOM 645 N GLU A 56 -9.502 -4.489 -5.523 1.00 0.00 N ATOM 646 CA GLU A 56 -8.679 -3.374 -5.906 1.00 0.00 C ATOM 647 C GLU A 56 -7.689 -3.015 -4.763 1.00 0.00 C ATOM 648 O GLU A 56 -6.579 -2.531 -5.009 1.00 0.00 O ATOM 649 CB GLU A 56 -9.552 -2.190 -6.298 1.00 0.00 C ATOM 650 CG GLU A 56 -8.797 -1.054 -6.932 1.00 0.00 C ATOM 651 CD GLU A 56 -9.699 0.077 -7.329 1.00 0.00 C ATOM 652 OE1 GLU A 56 -10.381 -0.016 -8.385 1.00 0.00 O ATOM 653 OE2 GLU A 56 -9.752 1.085 -6.617 1.00 0.00 O ATOM 0 H GLU A 56 -10.489 -4.260 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.083 -3.647 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.321 -2.533 -6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.065 -1.821 -5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.043 -0.687 -6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.267 -1.419 -7.812 1.00 0.00 H new ATOM 660 N LEU A 57 -8.061 -3.272 -3.512 1.00 0.00 N ATOM 661 CA LEU A 57 -7.093 -3.077 -2.456 1.00 0.00 C ATOM 662 C LEU A 57 -6.074 -4.194 -2.462 1.00 0.00 C ATOM 663 O LEU A 57 -4.932 -3.983 -2.124 1.00 0.00 O ATOM 664 CB LEU A 57 -7.668 -2.734 -1.037 1.00 0.00 C ATOM 665 CG LEU A 57 -8.579 -3.719 -0.295 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.830 -4.955 0.159 1.00 0.00 C ATOM 667 CD2 LEU A 57 -9.209 -3.019 0.895 1.00 0.00 C ATOM 0 H LEU A 57 -8.982 -3.600 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.579 -2.147 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.816 -2.535 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.220 -1.799 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.354 -4.050 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.515 -5.624 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.412 -5.466 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.024 -4.665 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.858 -3.716 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.426 -2.669 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.796 -2.169 0.548 1.00 0.00 H new ATOM 679 N THR A 58 -6.498 -5.378 -2.880 1.00 0.00 N ATOM 680 CA THR A 58 -5.602 -6.504 -2.999 1.00 0.00 C ATOM 681 C THR A 58 -4.506 -6.219 -4.063 1.00 0.00 C ATOM 682 O THR A 58 -3.335 -6.591 -3.902 1.00 0.00 O ATOM 683 CB THR A 58 -6.381 -7.780 -3.350 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.512 -7.889 -2.467 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.501 -9.006 -3.173 1.00 0.00 C ATOM 0 H THR A 58 -7.463 -5.578 -3.142 1.00 0.00 H new ATOM 0 HA THR A 58 -5.113 -6.657 -2.037 1.00 0.00 H new ATOM 0 HB THR A 58 -6.707 -7.724 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.019 -8.700 -2.683 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.069 -9.901 -3.426 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.634 -8.929 -3.829 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.168 -9.068 -2.137 1.00 0.00 H new ATOM 693 N VAL A 59 -4.870 -5.528 -5.128 1.00 0.00 N ATOM 694 CA VAL A 59 -3.868 -5.138 -6.101 1.00 0.00 C ATOM 695 C VAL A 59 -2.964 -4.041 -5.490 1.00 0.00 C ATOM 696 O VAL A 59 -1.756 -4.034 -5.686 1.00 0.00 O ATOM 697 CB VAL A 59 -4.438 -4.761 -7.521 1.00 0.00 C ATOM 698 CG1 VAL A 59 -5.214 -3.462 -7.539 1.00 0.00 C ATOM 699 CG2 VAL A 59 -3.339 -4.764 -8.573 1.00 0.00 C ATOM 0 H VAL A 59 -5.823 -5.233 -5.338 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.261 -6.018 -6.314 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.159 -5.540 -7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.575 -3.268 -8.549 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.062 -3.535 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.564 -2.646 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.762 -4.500 -9.542 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.573 -4.037 -8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.893 -5.757 -8.630 1.00 0.00 H new ATOM 709 N SER A 60 -3.562 -3.147 -4.698 1.00 0.00 N ATOM 710 CA SER A 60 -2.811 -2.100 -3.975 1.00 0.00 C ATOM 711 C SER A 60 -1.797 -2.725 -3.000 1.00 0.00 C ATOM 712 O SER A 60 -0.661 -2.231 -2.787 1.00 0.00 O ATOM 713 CB SER A 60 -3.786 -1.160 -3.257 1.00 0.00 C ATOM 714 OG SER A 60 -4.726 -0.609 -4.180 1.00 0.00 O ATOM 0 H SER A 60 -4.569 -3.122 -4.536 1.00 0.00 H new ATOM 0 HA SER A 60 -2.241 -1.511 -4.694 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.314 -1.704 -2.474 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.233 -0.357 -2.770 1.00 0.00 H new ATOM 0 HG SER A 60 -5.371 -1.299 -4.442 1.00 0.00 H new ATOM 720 N GLU A 61 -2.191 -3.850 -2.534 1.00 0.00 N ATOM 721 CA GLU A 61 -1.437 -4.676 -1.608 1.00 0.00 C ATOM 722 C GLU A 61 -0.215 -5.190 -2.361 1.00 0.00 C ATOM 723 O GLU A 61 0.911 -5.208 -1.851 1.00 0.00 O ATOM 724 CB GLU A 61 -2.339 -5.843 -1.191 1.00 0.00 C ATOM 725 CG GLU A 61 -1.749 -6.857 -0.251 1.00 0.00 C ATOM 726 CD GLU A 61 -1.651 -6.382 1.168 1.00 0.00 C ATOM 727 OE1 GLU A 61 -2.693 -6.376 1.874 1.00 0.00 O ATOM 728 OE2 GLU A 61 -0.543 -6.091 1.638 1.00 0.00 O ATOM 0 H GLU A 61 -3.090 -4.259 -2.788 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.121 -4.129 -0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.234 -5.430 -0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.659 -6.363 -2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.356 -7.762 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.754 -7.129 -0.603 1.00 0.00 H new ATOM 735 N ALA A 62 -0.450 -5.531 -3.617 1.00 0.00 N ATOM 736 CA ALA A 62 0.587 -6.014 -4.498 1.00 0.00 C ATOM 737 C ALA A 62 1.587 -4.907 -4.839 1.00 0.00 C ATOM 738 O ALA A 62 2.747 -5.194 -5.137 1.00 0.00 O ATOM 739 CB ALA A 62 -0.001 -6.637 -5.756 1.00 0.00 C ATOM 0 H ALA A 62 -1.371 -5.478 -4.051 1.00 0.00 H new ATOM 0 HA ALA A 62 1.131 -6.796 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.806 -6.991 -6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.641 -7.476 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.590 -5.891 -6.290 1.00 0.00 H new ATOM 745 N PHE A 63 1.151 -3.637 -4.826 1.00 0.00 N ATOM 746 CA PHE A 63 2.118 -2.540 -5.051 1.00 0.00 C ATOM 747 C PHE A 63 3.090 -2.526 -3.908 1.00 0.00 C ATOM 748 O PHE A 63 4.294 -2.435 -4.121 1.00 0.00 O ATOM 749 CB PHE A 63 1.489 -1.137 -5.185 1.00 0.00 C ATOM 750 CG PHE A 63 0.272 -1.088 -6.023 1.00 0.00 C ATOM 751 CD1 PHE A 63 0.120 -1.922 -7.118 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.765 -0.278 -5.654 1.00 0.00 C ATOM 753 CE1 PHE A 63 -1.048 -1.932 -7.816 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.941 -0.306 -6.334 1.00 0.00 C ATOM 755 CZ PHE A 63 -2.083 -1.131 -7.407 1.00 0.00 C ATOM 0 H PHE A 63 0.185 -3.348 -4.671 1.00 0.00 H new ATOM 0 HA PHE A 63 2.597 -2.745 -6.009 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.245 -0.766 -4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.232 -0.458 -5.605 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.932 -2.567 -7.419 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.649 0.391 -4.814 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.159 -2.565 -8.684 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.761 0.325 -6.024 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.021 -1.155 -7.942 1.00 0.00 H new ATOM 765 N ILE A 64 2.571 -2.653 -2.686 1.00 0.00 N ATOM 766 CA ILE A 64 3.444 -2.732 -1.517 1.00 0.00 C ATOM 767 C ILE A 64 4.349 -3.954 -1.581 1.00 0.00 C ATOM 768 O ILE A 64 5.559 -3.820 -1.455 1.00 0.00 O ATOM 769 CB ILE A 64 2.672 -2.649 -0.160 1.00 0.00 C ATOM 770 CG1 ILE A 64 2.237 -1.212 0.120 1.00 0.00 C ATOM 771 CG2 ILE A 64 3.491 -3.188 1.010 1.00 0.00 C ATOM 772 CD1 ILE A 64 3.397 -0.223 0.329 1.00 0.00 C ATOM 0 H ILE A 64 1.573 -2.702 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 64 4.077 -1.845 -1.550 1.00 0.00 H new ATOM 0 HB ILE A 64 1.790 -3.282 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.624 -0.863 -0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.605 -1.204 1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.910 -3.108 1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.740 -4.233 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.409 -2.608 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.996 0.772 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.999 -0.543 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.019 -0.197 -0.566 1.00 0.00 H new ATOM 784 N GLU A 65 3.774 -5.114 -1.846 1.00 0.00 N ATOM 785 CA GLU A 65 4.552 -6.359 -1.976 1.00 0.00 C ATOM 786 C GLU A 65 5.647 -6.228 -3.044 1.00 0.00 C ATOM 787 O GLU A 65 6.815 -6.550 -2.792 1.00 0.00 O ATOM 788 CB GLU A 65 3.633 -7.523 -2.347 1.00 0.00 C ATOM 789 CG GLU A 65 2.711 -8.005 -1.239 1.00 0.00 C ATOM 790 CD GLU A 65 3.470 -8.678 -0.129 1.00 0.00 C ATOM 791 OE1 GLU A 65 4.067 -9.769 -0.373 1.00 0.00 O ATOM 792 OE2 GLU A 65 3.522 -8.141 0.996 1.00 0.00 O ATOM 0 H GLU A 65 2.769 -5.232 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 65 5.023 -6.550 -1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.023 -7.225 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.249 -8.361 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.154 -7.159 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.980 -8.700 -1.652 1.00 0.00 H new ATOM 799 N GLY A 66 5.282 -5.681 -4.188 1.00 0.00 N ATOM 800 CA GLY A 66 6.220 -5.516 -5.273 1.00 0.00 C ATOM 801 C GLY A 66 7.301 -4.525 -4.940 1.00 0.00 C ATOM 802 O GLY A 66 8.478 -4.742 -5.245 1.00 0.00 O ATOM 0 H GLY A 66 4.340 -5.344 -4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.672 -6.479 -5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.688 -5.185 -6.165 1.00 0.00 H new ATOM 806 N SER A 67 6.924 -3.461 -4.274 1.00 0.00 N ATOM 807 CA SER A 67 7.859 -2.437 -3.918 1.00 0.00 C ATOM 808 C SER A 67 8.777 -2.921 -2.810 1.00 0.00 C ATOM 809 O SER A 67 9.952 -2.573 -2.779 1.00 0.00 O ATOM 810 CB SER A 67 7.133 -1.164 -3.512 1.00 0.00 C ATOM 811 OG SER A 67 6.288 -0.712 -4.564 1.00 0.00 O ATOM 0 H SER A 67 5.967 -3.287 -3.968 1.00 0.00 H new ATOM 0 HA SER A 67 8.472 -2.207 -4.790 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.541 -1.347 -2.616 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.858 -0.389 -3.262 1.00 0.00 H new ATOM 0 HG SER A 67 5.464 -1.243 -4.573 1.00 0.00 H new ATOM 817 N ARG A 68 8.259 -3.765 -1.929 1.00 0.00 N ATOM 818 CA ARG A 68 9.079 -4.285 -0.861 1.00 0.00 C ATOM 819 C ARG A 68 10.105 -5.225 -1.397 1.00 0.00 C ATOM 820 O ARG A 68 11.275 -5.143 -1.031 1.00 0.00 O ATOM 821 CB ARG A 68 8.287 -4.896 0.300 1.00 0.00 C ATOM 822 CG ARG A 68 7.385 -3.914 1.027 1.00 0.00 C ATOM 823 CD ARG A 68 6.713 -4.552 2.235 1.00 0.00 C ATOM 824 NE ARG A 68 7.688 -4.914 3.269 1.00 0.00 N ATOM 825 CZ ARG A 68 7.414 -5.072 4.572 1.00 0.00 C ATOM 826 NH1 ARG A 68 6.147 -5.124 4.999 1.00 0.00 N ATOM 827 NH2 ARG A 68 8.405 -5.239 5.428 1.00 0.00 N ATOM 0 H ARG A 68 7.294 -4.095 -1.936 1.00 0.00 H new ATOM 0 HA ARG A 68 9.588 -3.427 -0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.679 -5.716 -0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.988 -5.326 1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.970 -3.053 1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.623 -3.543 0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.980 -3.861 2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.168 -5.442 1.921 1.00 0.00 H new ATOM 0 HE ARG A 68 8.653 -5.057 2.973 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.380 -5.043 4.331 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.948 -5.244 5.992 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.370 -5.247 5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.206 -5.360 6.421 1.00 0.00 H new ATOM 841 N GLY A 69 9.682 -6.075 -2.307 1.00 0.00 N ATOM 842 CA GLY A 69 10.603 -6.958 -2.957 1.00 0.00 C ATOM 843 C GLY A 69 11.607 -6.172 -3.769 1.00 0.00 C ATOM 844 O GLY A 69 12.763 -6.566 -3.878 1.00 0.00 O ATOM 0 H GLY A 69 8.711 -6.167 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.122 -7.563 -2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.060 -7.646 -3.606 1.00 0.00 H new ATOM 848 N TYR A 70 11.177 -4.989 -4.239 1.00 0.00 N ATOM 849 CA TYR A 70 11.991 -4.147 -5.103 1.00 0.00 C ATOM 850 C TYR A 70 13.167 -3.660 -4.328 1.00 0.00 C ATOM 851 O TYR A 70 14.309 -3.838 -4.736 1.00 0.00 O ATOM 852 CB TYR A 70 11.172 -2.954 -5.648 1.00 0.00 C ATOM 853 CG TYR A 70 11.940 -1.975 -6.525 1.00 0.00 C ATOM 854 CD1 TYR A 70 12.632 -0.899 -5.969 1.00 0.00 C ATOM 855 CD2 TYR A 70 11.964 -2.119 -7.902 1.00 0.00 C ATOM 856 CE1 TYR A 70 13.322 -0.010 -6.759 1.00 0.00 C ATOM 857 CE2 TYR A 70 12.655 -1.228 -8.699 1.00 0.00 C ATOM 858 CZ TYR A 70 13.333 -0.178 -8.122 1.00 0.00 C ATOM 859 OH TYR A 70 14.031 0.711 -8.912 1.00 0.00 O ATOM 0 H TYR A 70 10.259 -4.599 -4.027 1.00 0.00 H new ATOM 0 HA TYR A 70 12.328 -4.731 -5.959 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.331 -3.345 -6.221 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.755 -2.407 -4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.626 -0.762 -4.898 1.00 0.00 H new ATOM 0 HD2 TYR A 70 11.434 -2.941 -8.360 1.00 0.00 H new ATOM 0 HE1 TYR A 70 13.853 0.816 -6.310 1.00 0.00 H new ATOM 0 HE2 TYR A 70 12.664 -1.354 -9.772 1.00 0.00 H new ATOM 0 HH TYR A 70 13.941 0.453 -9.853 1.00 0.00 H new ATOM 869 N PHE A 71 12.884 -3.099 -3.188 1.00 0.00 N ATOM 870 CA PHE A 71 13.902 -2.595 -2.330 1.00 0.00 C ATOM 871 C PHE A 71 14.839 -3.699 -1.877 1.00 0.00 C ATOM 872 O PHE A 71 16.041 -3.494 -1.790 1.00 0.00 O ATOM 873 CB PHE A 71 13.341 -1.749 -1.194 1.00 0.00 C ATOM 874 CG PHE A 71 12.698 -0.480 -1.695 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.443 0.452 -2.402 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.368 -0.219 -1.468 1.00 0.00 C ATOM 877 CE1 PHE A 71 12.870 1.613 -2.871 1.00 0.00 C ATOM 878 CE2 PHE A 71 10.788 0.943 -1.936 1.00 0.00 C ATOM 879 CZ PHE A 71 11.538 1.859 -2.638 1.00 0.00 C ATOM 0 H PHE A 71 11.936 -2.981 -2.831 1.00 0.00 H new ATOM 0 HA PHE A 71 14.514 -1.904 -2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.607 -2.331 -0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 71 14.143 -1.499 -0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.490 0.264 -2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.770 -0.930 -0.918 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.465 2.328 -3.420 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.741 1.134 -1.751 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.082 2.767 -3.004 1.00 0.00 H new ATOM 889 N GLN A 72 14.277 -4.871 -1.607 1.00 0.00 N ATOM 890 CA GLN A 72 15.070 -6.038 -1.266 1.00 0.00 C ATOM 891 C GLN A 72 16.123 -6.361 -2.344 1.00 0.00 C ATOM 892 O GLN A 72 17.296 -6.523 -2.006 1.00 0.00 O ATOM 893 CB GLN A 72 14.193 -7.255 -0.957 1.00 0.00 C ATOM 894 CG GLN A 72 13.376 -7.120 0.327 1.00 0.00 C ATOM 895 CD GLN A 72 14.222 -7.149 1.603 1.00 0.00 C ATOM 896 OE1 GLN A 72 15.400 -6.756 1.626 1.00 0.00 O ATOM 897 NE2 GLN A 72 13.628 -7.603 2.676 1.00 0.00 N ATOM 0 H GLN A 72 13.270 -5.035 -1.619 1.00 0.00 H new ATOM 0 HA GLN A 72 15.612 -5.789 -0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.513 -7.422 -1.793 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.828 -8.138 -0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.817 -6.185 0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.645 -7.928 0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.659 -7.919 2.628 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.133 -7.641 3.561 1.00 0.00 H new ATOM 906 N ARG A 73 15.745 -6.442 -3.635 1.00 0.00 N ATOM 907 CA ARG A 73 16.788 -6.702 -4.644 1.00 0.00 C ATOM 908 C ARG A 73 17.723 -5.512 -4.835 1.00 0.00 C ATOM 909 O ARG A 73 18.902 -5.689 -5.162 1.00 0.00 O ATOM 910 CB ARG A 73 16.356 -7.349 -5.999 1.00 0.00 C ATOM 911 CG ARG A 73 15.562 -6.502 -6.984 1.00 0.00 C ATOM 912 CD ARG A 73 14.124 -6.354 -6.594 1.00 0.00 C ATOM 913 NE ARG A 73 13.430 -7.646 -6.439 1.00 0.00 N ATOM 914 CZ ARG A 73 12.257 -7.963 -7.004 1.00 0.00 C ATOM 915 NH1 ARG A 73 11.696 -7.154 -7.906 1.00 0.00 N ATOM 916 NH2 ARG A 73 11.659 -9.101 -6.677 1.00 0.00 N ATOM 0 H ARG A 73 14.793 -6.339 -3.987 1.00 0.00 H new ATOM 0 HA ARG A 73 17.345 -7.517 -4.181 1.00 0.00 H new ATOM 0 HB2 ARG A 73 17.258 -7.691 -6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 73 15.764 -8.235 -5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 73 16.018 -5.514 -7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 73 15.621 -6.954 -7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 73 14.063 -5.801 -5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.609 -5.760 -7.349 1.00 0.00 H new ATOM 0 HE ARG A 73 13.878 -8.353 -5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.161 -6.285 -8.171 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.803 -7.405 -8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.092 -9.728 -5.999 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.766 -9.349 -7.103 1.00 0.00 H new ATOM 930 N GLU A 74 17.202 -4.301 -4.645 1.00 0.00 N ATOM 931 CA GLU A 74 18.025 -3.097 -4.737 1.00 0.00 C ATOM 932 C GLU A 74 19.085 -3.065 -3.640 1.00 0.00 C ATOM 933 O GLU A 74 20.190 -2.553 -3.830 1.00 0.00 O ATOM 934 CB GLU A 74 17.188 -1.822 -4.722 1.00 0.00 C ATOM 935 CG GLU A 74 16.233 -1.718 -5.895 1.00 0.00 C ATOM 936 CD GLU A 74 16.923 -1.889 -7.226 1.00 0.00 C ATOM 937 OE1 GLU A 74 17.433 -0.906 -7.773 1.00 0.00 O ATOM 938 OE2 GLU A 74 16.954 -3.025 -7.748 1.00 0.00 O ATOM 0 H GLU A 74 16.220 -4.128 -4.428 1.00 0.00 H new ATOM 0 HA GLU A 74 18.533 -3.137 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.618 -1.781 -3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.853 -0.959 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.456 -2.476 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.737 -0.748 -5.870 1.00 0.00 H new ATOM 945 N LEU A 75 18.762 -3.661 -2.514 1.00 0.00 N ATOM 946 CA LEU A 75 19.678 -3.767 -1.390 1.00 0.00 C ATOM 947 C LEU A 75 20.831 -4.745 -1.750 1.00 0.00 C ATOM 948 O LEU A 75 21.903 -4.739 -1.149 1.00 0.00 O ATOM 949 CB LEU A 75 18.863 -4.197 -0.124 1.00 0.00 C ATOM 950 CG LEU A 75 19.541 -4.158 1.271 1.00 0.00 C ATOM 951 CD1 LEU A 75 18.474 -4.147 2.354 1.00 0.00 C ATOM 952 CD2 LEU A 75 20.434 -5.368 1.497 1.00 0.00 C ATOM 0 H LEU A 75 17.852 -4.090 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 75 20.149 -2.810 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 75 17.978 -3.563 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 75 18.516 -5.217 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 75 20.152 -3.256 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 75 18.950 -4.120 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 75 17.842 -3.267 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.864 -5.046 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 75 20.891 -5.304 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 75 19.837 -6.278 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 75 21.215 -5.391 0.737 1.00 0.00 H new ATOM 964 N LYS A 76 20.609 -5.523 -2.786 1.00 0.00 N ATOM 965 CA LYS A 76 21.552 -6.526 -3.239 1.00 0.00 C ATOM 966 C LYS A 76 22.408 -6.006 -4.403 1.00 0.00 C ATOM 967 O LYS A 76 23.323 -6.683 -4.855 1.00 0.00 O ATOM 968 CB LYS A 76 20.809 -7.800 -3.635 1.00 0.00 C ATOM 969 CG LYS A 76 19.949 -8.363 -2.515 1.00 0.00 C ATOM 970 CD LYS A 76 19.139 -9.573 -2.952 1.00 0.00 C ATOM 971 CE LYS A 76 20.023 -10.751 -3.315 1.00 0.00 C ATOM 972 NZ LYS A 76 19.229 -11.944 -3.642 1.00 0.00 N ATOM 0 H LYS A 76 19.758 -5.478 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 76 22.229 -6.755 -2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.178 -7.592 -4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 76 21.533 -8.554 -3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 76 20.587 -8.641 -1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 76 19.272 -7.587 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.460 -9.863 -2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.522 -9.305 -3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.651 -10.487 -4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.691 -10.975 -2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.866 -12.729 -3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.649 -12.210 -2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.610 -11.738 -4.451 1.00 0.00 H new ATOM 986 N ARG A 77 22.086 -4.804 -4.892 1.00 0.00 N ATOM 987 CA ARG A 77 22.791 -4.186 -6.043 1.00 0.00 C ATOM 988 C ARG A 77 24.260 -3.916 -5.756 1.00 0.00 C ATOM 989 O ARG A 77 25.066 -3.835 -6.678 1.00 0.00 O ATOM 990 CB ARG A 77 22.136 -2.861 -6.429 1.00 0.00 C ATOM 991 CG ARG A 77 20.734 -2.979 -6.967 1.00 0.00 C ATOM 992 CD ARG A 77 20.694 -3.663 -8.303 1.00 0.00 C ATOM 993 NE ARG A 77 19.338 -3.763 -8.809 1.00 0.00 N ATOM 994 CZ ARG A 77 18.987 -4.342 -9.944 1.00 0.00 C ATOM 995 NH1 ARG A 77 19.912 -4.837 -10.769 1.00 0.00 N ATOM 996 NH2 ARG A 77 17.716 -4.399 -10.259 1.00 0.00 N ATOM 0 H ARG A 77 21.336 -4.227 -4.511 1.00 0.00 H new ATOM 0 HA ARG A 77 22.720 -4.906 -6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 77 22.120 -2.212 -5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.757 -2.370 -7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 77 20.120 -3.535 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 77 20.296 -1.985 -7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 77 21.309 -3.111 -9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 77 21.125 -4.660 -8.215 1.00 0.00 H new ATOM 0 HE ARG A 77 18.595 -3.353 -8.243 1.00 0.00 H new ATOM 0 HH11 ARG A 77 20.900 -4.770 -10.526 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.631 -5.282 -11.643 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.017 -4.000 -9.632 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.426 -4.842 -11.131 1.00 0.00 H new ATOM 1010 N THR A 78 24.583 -3.727 -4.479 1.00 0.00 N ATOM 1011 CA THR A 78 25.939 -3.380 -4.006 1.00 0.00 C ATOM 1012 C THR A 78 26.281 -1.881 -4.300 1.00 0.00 C ATOM 1013 O THR A 78 27.220 -1.314 -3.741 1.00 0.00 O ATOM 1014 CB THR A 78 27.021 -4.351 -4.589 1.00 0.00 C ATOM 1015 OG1 THR A 78 26.571 -5.712 -4.397 1.00 0.00 O ATOM 1016 CG2 THR A 78 28.358 -4.190 -3.870 1.00 0.00 C ATOM 0 H THR A 78 23.904 -3.810 -3.723 1.00 0.00 H new ATOM 0 HA THR A 78 25.950 -3.506 -2.923 1.00 0.00 H new ATOM 0 HB THR A 78 27.157 -4.118 -5.645 1.00 0.00 H new ATOM 0 HG1 THR A 78 27.238 -6.331 -4.759 1.00 0.00 H new ATOM 0 HG21 THR A 78 29.087 -4.878 -4.299 1.00 0.00 H new ATOM 0 HG22 THR A 78 28.713 -3.166 -3.987 1.00 0.00 H new ATOM 0 HG23 THR A 78 28.230 -4.411 -2.810 1.00 0.00 H new ATOM 1024 N ASP A 79 25.465 -1.242 -5.140 1.00 0.00 N ATOM 1025 CA ASP A 79 25.647 0.174 -5.511 1.00 0.00 C ATOM 1026 C ASP A 79 25.286 1.088 -4.349 1.00 0.00 C ATOM 1027 O ASP A 79 25.871 2.168 -4.173 1.00 0.00 O ATOM 1028 CB ASP A 79 24.776 0.528 -6.724 1.00 0.00 C ATOM 1029 CG ASP A 79 24.985 1.956 -7.197 1.00 0.00 C ATOM 1030 OD1 ASP A 79 25.944 2.200 -7.958 1.00 0.00 O ATOM 1031 OD2 ASP A 79 24.193 2.852 -6.829 1.00 0.00 O ATOM 0 H ASP A 79 24.660 -1.684 -5.584 1.00 0.00 H new ATOM 0 HA ASP A 79 26.697 0.320 -5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 79 25.001 -0.158 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 79 23.726 0.384 -6.467 1.00 0.00 H new ATOM 1036 N LEU A 80 24.339 0.625 -3.550 1.00 0.00 N ATOM 1037 CA LEU A 80 23.827 1.310 -2.404 1.00 0.00 C ATOM 1038 C LEU A 80 24.911 1.586 -1.421 1.00 0.00 C ATOM 1039 O LEU A 80 25.938 0.897 -1.327 1.00 0.00 O ATOM 1040 CB LEU A 80 22.741 0.461 -1.686 1.00 0.00 C ATOM 1041 CG LEU A 80 23.228 -0.775 -0.893 1.00 0.00 C ATOM 1042 CD1 LEU A 80 22.154 -1.255 0.047 1.00 0.00 C ATOM 1043 CD2 LEU A 80 23.620 -1.912 -1.809 1.00 0.00 C ATOM 0 H LEU A 80 23.895 -0.281 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 80 23.396 2.245 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 80 22.200 1.113 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.025 0.123 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 80 24.107 -0.464 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.514 -2.125 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.903 -0.460 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.266 -1.528 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 80 23.956 -2.760 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.760 -2.208 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 80 24.427 -1.588 -2.466 1.00 0.00 H new ATOM 1055 N ASP A 81 24.647 2.558 -0.711 1.00 0.00 N ATOM 1056 CA ASP A 81 25.434 3.016 0.370 1.00 0.00 C ATOM 1057 C ASP A 81 24.525 2.846 1.566 1.00 0.00 C ATOM 1058 O ASP A 81 23.352 2.457 1.365 1.00 0.00 O ATOM 1059 CB ASP A 81 25.798 4.497 0.144 1.00 0.00 C ATOM 1060 CG ASP A 81 26.742 5.058 1.181 1.00 0.00 C ATOM 1061 OD1 ASP A 81 27.966 4.970 0.996 1.00 0.00 O ATOM 1062 OD2 ASP A 81 26.272 5.586 2.195 1.00 0.00 O ATOM 0 H ASP A 81 23.811 3.124 -0.856 1.00 0.00 H new ATOM 0 HA ASP A 81 26.376 2.481 0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 81 26.251 4.604 -0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 81 24.883 5.090 0.140 1.00 0.00 H new ATOM 1067 N LEU A 82 24.984 3.138 2.762 1.00 0.00 N ATOM 1068 CA LEU A 82 24.151 3.032 3.955 1.00 0.00 C ATOM 1069 C LEU A 82 22.921 3.912 3.804 1.00 0.00 C ATOM 1070 O LEU A 82 21.870 3.614 4.329 1.00 0.00 O ATOM 1071 CB LEU A 82 24.924 3.382 5.231 1.00 0.00 C ATOM 1072 CG LEU A 82 26.120 2.479 5.567 1.00 0.00 C ATOM 1073 CD1 LEU A 82 26.774 2.926 6.858 1.00 0.00 C ATOM 1074 CD2 LEU A 82 25.691 1.022 5.672 1.00 0.00 C ATOM 0 H LEU A 82 25.937 3.454 2.943 1.00 0.00 H new ATOM 0 HA LEU A 82 23.837 1.993 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.283 4.408 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 82 24.229 3.357 6.070 1.00 0.00 H new ATOM 0 HG LEU A 82 26.845 2.564 4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 82 27.620 2.276 7.082 1.00 0.00 H new ATOM 0 HD12 LEU A 82 27.124 3.953 6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 82 26.050 2.872 7.671 1.00 0.00 H new ATOM 0 HD21 LEU A 82 26.557 0.404 5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 82 24.943 0.919 6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 82 25.265 0.699 4.722 1.00 0.00 H new ATOM 1086 N LEU A 83 23.093 4.988 3.062 1.00 0.00 N ATOM 1087 CA LEU A 83 22.030 5.932 2.741 1.00 0.00 C ATOM 1088 C LEU A 83 20.901 5.294 1.974 1.00 0.00 C ATOM 1089 O LEU A 83 19.736 5.423 2.332 1.00 0.00 O ATOM 1090 CB LEU A 83 22.611 6.929 1.814 1.00 0.00 C ATOM 1091 CG LEU A 83 23.772 7.723 2.336 1.00 0.00 C ATOM 1092 CD1 LEU A 83 24.238 8.598 1.247 1.00 0.00 C ATOM 1093 CD2 LEU A 83 23.374 8.542 3.554 1.00 0.00 C ATOM 0 H LEU A 83 23.994 5.240 2.655 1.00 0.00 H new ATOM 0 HA LEU A 83 21.649 6.339 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 83 22.930 6.411 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 83 21.824 7.625 1.522 1.00 0.00 H new ATOM 0 HG LEU A 83 24.571 7.053 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 83 25.084 9.191 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 83 24.546 7.989 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 83 23.429 9.263 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 83 24.236 9.107 3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 83 22.575 9.232 3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 83 23.026 7.875 4.343 1.00 0.00 H new ATOM 1105 N GLU A 84 21.249 4.575 0.938 1.00 0.00 N ATOM 1106 CA GLU A 84 20.252 3.950 0.110 1.00 0.00 C ATOM 1107 C GLU A 84 19.623 2.832 0.862 1.00 0.00 C ATOM 1108 O GLU A 84 18.414 2.671 0.859 1.00 0.00 O ATOM 1109 CB GLU A 84 20.834 3.501 -1.219 1.00 0.00 C ATOM 1110 CG GLU A 84 21.187 4.650 -2.137 1.00 0.00 C ATOM 1111 CD GLU A 84 19.982 5.521 -2.426 1.00 0.00 C ATOM 1112 OE1 GLU A 84 19.145 5.140 -3.277 1.00 0.00 O ATOM 1113 OE2 GLU A 84 19.852 6.591 -1.814 1.00 0.00 O ATOM 0 H GLU A 84 22.213 4.408 0.649 1.00 0.00 H new ATOM 0 HA GLU A 84 19.478 4.677 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 84 21.728 2.906 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.117 2.851 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 84 21.972 5.253 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 84 21.588 4.260 -3.073 1.00 0.00 H new ATOM 1120 N LYS A 85 20.460 2.129 1.592 1.00 0.00 N ATOM 1121 CA LYS A 85 20.057 1.062 2.461 1.00 0.00 C ATOM 1122 C LYS A 85 19.059 1.593 3.461 1.00 0.00 C ATOM 1123 O LYS A 85 18.044 0.955 3.743 1.00 0.00 O ATOM 1124 CB LYS A 85 21.288 0.515 3.181 1.00 0.00 C ATOM 1125 CG LYS A 85 21.016 -0.575 4.185 1.00 0.00 C ATOM 1126 CD LYS A 85 22.313 -1.048 4.800 1.00 0.00 C ATOM 1127 CE LYS A 85 22.070 -1.988 5.953 1.00 0.00 C ATOM 1128 NZ LYS A 85 21.401 -1.315 7.085 1.00 0.00 N ATOM 0 H LYS A 85 21.467 2.294 1.593 1.00 0.00 H new ATOM 0 HA LYS A 85 19.594 0.260 1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.985 0.133 2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.787 1.339 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 85 20.349 -0.205 4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.509 -1.409 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.914 -1.549 4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.887 -0.188 5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.458 -2.825 5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.020 -2.403 6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.702 -1.756 7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.659 -0.308 7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.370 -1.407 6.984 1.00 0.00 H new ATOM 1142 N PHE A 86 19.305 2.813 3.923 1.00 0.00 N ATOM 1143 CA PHE A 86 18.460 3.413 4.915 1.00 0.00 C ATOM 1144 C PHE A 86 17.082 3.704 4.345 1.00 0.00 C ATOM 1145 O PHE A 86 16.101 3.549 5.015 1.00 0.00 O ATOM 1146 CB PHE A 86 19.106 4.672 5.523 1.00 0.00 C ATOM 1147 CG PHE A 86 18.296 5.339 6.607 1.00 0.00 C ATOM 1148 CD1 PHE A 86 18.313 4.846 7.901 1.00 0.00 C ATOM 1149 CD2 PHE A 86 17.519 6.457 6.331 1.00 0.00 C ATOM 1150 CE1 PHE A 86 17.576 5.451 8.900 1.00 0.00 C ATOM 1151 CE2 PHE A 86 16.779 7.065 7.324 1.00 0.00 C ATOM 1152 CZ PHE A 86 16.806 6.561 8.611 1.00 0.00 C ATOM 0 H PHE A 86 20.085 3.396 3.619 1.00 0.00 H new ATOM 0 HA PHE A 86 18.337 2.698 5.728 1.00 0.00 H new ATOM 0 HB2 PHE A 86 20.080 4.402 5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 86 19.283 5.393 4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 86 18.911 3.977 8.132 1.00 0.00 H new ATOM 0 HD2 PHE A 86 17.494 6.855 5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 86 17.602 5.057 9.905 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.179 7.934 7.096 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.226 7.034 9.389 1.00 0.00 H new ATOM 1162 N ASN A 87 17.041 4.065 3.094 1.00 0.00 N ATOM 1163 CA ASN A 87 15.820 4.385 2.394 1.00 0.00 C ATOM 1164 C ASN A 87 15.036 3.148 2.078 1.00 0.00 C ATOM 1165 O ASN A 87 13.815 3.185 2.044 1.00 0.00 O ATOM 1166 CB ASN A 87 16.075 5.210 1.128 1.00 0.00 C ATOM 1167 CG ASN A 87 16.324 6.684 1.408 1.00 0.00 C ATOM 1168 OD1 ASN A 87 15.382 7.491 1.423 1.00 0.00 O ATOM 1169 ND2 ASN A 87 17.559 7.052 1.640 1.00 0.00 N ATOM 0 H ASN A 87 17.876 4.148 2.514 1.00 0.00 H new ATOM 0 HA ASN A 87 15.225 5.004 3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.936 4.797 0.601 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.218 5.114 0.462 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.771 8.029 1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 87 18.309 6.361 1.620 1.00 0.00 H new ATOM 1176 N PHE A 88 15.732 2.044 1.837 1.00 0.00 N ATOM 1177 CA PHE A 88 15.065 0.774 1.572 1.00 0.00 C ATOM 1178 C PHE A 88 14.398 0.324 2.816 1.00 0.00 C ATOM 1179 O PHE A 88 13.207 0.044 2.819 1.00 0.00 O ATOM 1180 CB PHE A 88 16.032 -0.318 1.095 1.00 0.00 C ATOM 1181 CG PHE A 88 16.885 0.083 -0.054 1.00 0.00 C ATOM 1182 CD1 PHE A 88 16.424 0.977 -1.005 1.00 0.00 C ATOM 1183 CD2 PHE A 88 18.173 -0.386 -0.151 1.00 0.00 C ATOM 1184 CE1 PHE A 88 17.230 1.385 -2.024 1.00 0.00 C ATOM 1185 CE2 PHE A 88 18.984 0.031 -1.165 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.510 0.913 -2.097 1.00 0.00 C ATOM 0 H PHE A 88 16.751 2.001 1.819 1.00 0.00 H new ATOM 0 HA PHE A 88 14.346 0.937 0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.675 -0.607 1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.456 -1.200 0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.414 1.355 -0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.545 -1.089 0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 88 16.861 2.076 -2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.998 -0.334 -1.232 1.00 0.00 H new ATOM 0 HZ PHE A 88 19.155 1.240 -2.899 1.00 0.00 H new ATOM 1196 N GLU A 89 15.150 0.352 3.900 1.00 0.00 N ATOM 1197 CA GLU A 89 14.642 -0.028 5.180 1.00 0.00 C ATOM 1198 C GLU A 89 13.592 0.963 5.603 1.00 0.00 C ATOM 1199 O GLU A 89 12.616 0.609 6.271 1.00 0.00 O ATOM 1200 CB GLU A 89 15.762 -0.158 6.208 1.00 0.00 C ATOM 1201 CG GLU A 89 16.783 -1.222 5.831 1.00 0.00 C ATOM 1202 CD GLU A 89 17.841 -1.411 6.878 1.00 0.00 C ATOM 1203 OE1 GLU A 89 18.855 -0.688 6.861 1.00 0.00 O ATOM 1204 OE2 GLU A 89 17.686 -2.299 7.737 1.00 0.00 O ATOM 0 H GLU A 89 16.128 0.641 3.905 1.00 0.00 H new ATOM 0 HA GLU A 89 14.182 -1.014 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.266 0.803 6.314 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.332 -0.401 7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.269 -2.169 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.256 -0.947 4.888 1.00 0.00 H new ATOM 1211 N ALA A 90 13.767 2.220 5.176 1.00 0.00 N ATOM 1212 CA ALA A 90 12.786 3.237 5.522 1.00 0.00 C ATOM 1213 C ALA A 90 11.465 2.949 4.822 1.00 0.00 C ATOM 1214 O ALA A 90 10.392 3.002 5.431 1.00 0.00 O ATOM 1215 CB ALA A 90 13.270 4.641 5.194 1.00 0.00 C ATOM 0 H ALA A 90 14.552 2.543 4.610 1.00 0.00 H new ATOM 0 HA ALA A 90 12.638 3.196 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.503 5.364 5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.183 4.850 5.751 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.471 4.716 4.125 1.00 0.00 H new ATOM 1221 N ALA A 91 11.556 2.605 3.562 1.00 0.00 N ATOM 1222 CA ALA A 91 10.404 2.310 2.755 1.00 0.00 C ATOM 1223 C ALA A 91 9.732 1.030 3.194 1.00 0.00 C ATOM 1224 O ALA A 91 8.519 0.983 3.284 1.00 0.00 O ATOM 1225 CB ALA A 91 10.778 2.273 1.291 1.00 0.00 C ATOM 0 H ALA A 91 12.443 2.522 3.064 1.00 0.00 H new ATOM 0 HA ALA A 91 9.678 3.111 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.893 2.048 0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.180 3.242 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.531 1.502 1.127 1.00 0.00 H new ATOM 1231 N LEU A 92 10.516 0.012 3.513 1.00 0.00 N ATOM 1232 CA LEU A 92 9.967 -1.269 3.975 1.00 0.00 C ATOM 1233 C LEU A 92 9.136 -1.057 5.224 1.00 0.00 C ATOM 1234 O LEU A 92 8.048 -1.605 5.355 1.00 0.00 O ATOM 1235 CB LEU A 92 11.072 -2.301 4.262 1.00 0.00 C ATOM 1236 CG LEU A 92 11.992 -2.687 3.096 1.00 0.00 C ATOM 1237 CD1 LEU A 92 13.017 -3.716 3.542 1.00 0.00 C ATOM 1238 CD2 LEU A 92 11.196 -3.205 1.916 1.00 0.00 C ATOM 0 H LEU A 92 11.534 0.040 3.463 1.00 0.00 H new ATOM 0 HA LEU A 92 9.342 -1.662 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.694 -1.914 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.597 -3.210 4.633 1.00 0.00 H new ATOM 0 HG LEU A 92 12.519 -1.789 2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.660 -3.977 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.623 -3.301 4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.504 -4.610 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.876 -3.470 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.630 -4.086 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.508 -2.432 1.574 1.00 0.00 H new ATOM 1250 N ALA A 93 9.624 -0.200 6.096 1.00 0.00 N ATOM 1251 CA ALA A 93 8.958 0.098 7.334 1.00 0.00 C ATOM 1252 C ALA A 93 7.696 0.898 7.084 1.00 0.00 C ATOM 1253 O ALA A 93 6.668 0.673 7.740 1.00 0.00 O ATOM 1254 CB ALA A 93 9.893 0.843 8.260 1.00 0.00 C ATOM 0 H ALA A 93 10.498 0.308 5.960 1.00 0.00 H new ATOM 0 HA ALA A 93 8.671 -0.839 7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.379 1.064 9.195 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.769 0.228 8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.206 1.775 7.789 1.00 0.00 H new ATOM 1260 N THR A 94 7.754 1.763 6.086 1.00 0.00 N ATOM 1261 CA THR A 94 6.656 2.613 5.761 1.00 0.00 C ATOM 1262 C THR A 94 5.542 1.767 5.163 1.00 0.00 C ATOM 1263 O THR A 94 4.367 1.843 5.579 1.00 0.00 O ATOM 1264 CB THR A 94 7.103 3.718 4.769 1.00 0.00 C ATOM 1265 OG1 THR A 94 8.176 4.485 5.359 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.954 4.649 4.414 1.00 0.00 C ATOM 0 H THR A 94 8.570 1.885 5.487 1.00 0.00 H new ATOM 0 HA THR A 94 6.291 3.105 6.662 1.00 0.00 H new ATOM 0 HB THR A 94 7.442 3.234 3.853 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.946 3.900 5.520 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.305 5.410 3.717 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.151 4.076 3.951 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.582 5.129 5.319 1.00 0.00 H new ATOM 1274 N GLY A 95 5.950 0.891 4.253 1.00 0.00 N ATOM 1275 CA GLY A 95 5.047 0.034 3.586 1.00 0.00 C ATOM 1276 C GLY A 95 4.428 -0.936 4.517 1.00 0.00 C ATOM 1277 O GLY A 95 3.281 -1.236 4.387 1.00 0.00 O ATOM 0 H GLY A 95 6.924 0.774 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.268 0.627 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.571 -0.503 2.795 1.00 0.00 H new ATOM 1281 N ASP A 96 5.196 -1.397 5.488 1.00 0.00 N ATOM 1282 CA ASP A 96 4.714 -2.370 6.458 1.00 0.00 C ATOM 1283 C ASP A 96 3.599 -1.797 7.310 1.00 0.00 C ATOM 1284 O ASP A 96 2.585 -2.455 7.544 1.00 0.00 O ATOM 1285 CB ASP A 96 5.837 -2.856 7.362 1.00 0.00 C ATOM 1286 CG ASP A 96 5.406 -4.032 8.187 1.00 0.00 C ATOM 1287 OD1 ASP A 96 5.414 -5.164 7.652 1.00 0.00 O ATOM 1288 OD2 ASP A 96 5.059 -3.868 9.359 1.00 0.00 O ATOM 0 H ASP A 96 6.165 -1.111 5.628 1.00 0.00 H new ATOM 0 HA ASP A 96 4.326 -3.215 5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.700 -3.132 6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.154 -2.046 8.019 1.00 0.00 H new ATOM 1293 N LEU A 97 3.768 -0.561 7.733 1.00 0.00 N ATOM 1294 CA LEU A 97 2.780 0.093 8.581 1.00 0.00 C ATOM 1295 C LEU A 97 1.472 0.269 7.865 1.00 0.00 C ATOM 1296 O LEU A 97 0.419 -0.103 8.379 1.00 0.00 O ATOM 1297 CB LEU A 97 3.292 1.430 9.102 1.00 0.00 C ATOM 1298 CG LEU A 97 4.525 1.353 9.984 1.00 0.00 C ATOM 1299 CD1 LEU A 97 4.919 2.729 10.476 1.00 0.00 C ATOM 1300 CD2 LEU A 97 4.280 0.405 11.142 1.00 0.00 C ATOM 0 H LEU A 97 4.579 0.015 7.506 1.00 0.00 H new ATOM 0 HA LEU A 97 2.609 -0.559 9.437 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.515 2.072 8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.493 1.912 9.664 1.00 0.00 H new ATOM 0 HG LEU A 97 5.355 0.964 9.394 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.805 2.650 11.106 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.136 3.372 9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.100 3.157 11.054 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.171 0.357 11.768 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.439 0.764 11.735 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.054 -0.589 10.757 1.00 0.00 H new ATOM 1312 N LEU A 98 1.533 0.801 6.677 1.00 0.00 N ATOM 1313 CA LEU A 98 0.342 0.992 5.898 1.00 0.00 C ATOM 1314 C LEU A 98 -0.207 -0.362 5.419 1.00 0.00 C ATOM 1315 O LEU A 98 -1.359 -0.480 5.162 1.00 0.00 O ATOM 1316 CB LEU A 98 0.561 1.990 4.758 1.00 0.00 C ATOM 1317 CG LEU A 98 1.430 1.508 3.627 1.00 0.00 C ATOM 1318 CD1 LEU A 98 0.588 0.890 2.522 1.00 0.00 C ATOM 1319 CD2 LEU A 98 2.341 2.601 3.102 1.00 0.00 C ATOM 0 H LEU A 98 2.394 1.110 6.227 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.421 1.440 6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.411 2.269 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.005 2.895 5.172 1.00 0.00 H new ATOM 0 HG LEU A 98 2.082 0.729 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.238 0.549 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.030 0.043 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.109 1.634 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.949 2.208 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.738 3.432 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.991 2.950 3.905 1.00 0.00 H new ATOM 1331 N LEU A 99 0.670 -1.369 5.287 1.00 0.00 N ATOM 1332 CA LEU A 99 0.283 -2.726 4.870 1.00 0.00 C ATOM 1333 C LEU A 99 -0.638 -3.291 5.927 1.00 0.00 C ATOM 1334 O LEU A 99 -1.703 -3.881 5.632 1.00 0.00 O ATOM 1335 CB LEU A 99 1.566 -3.603 4.687 1.00 0.00 C ATOM 1336 CG LEU A 99 1.463 -5.051 4.142 1.00 0.00 C ATOM 1337 CD1 LEU A 99 2.851 -5.526 3.749 1.00 0.00 C ATOM 1338 CD2 LEU A 99 0.917 -6.007 5.190 1.00 0.00 C ATOM 0 H LEU A 99 1.669 -1.265 5.467 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.240 -2.713 3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.236 -3.057 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.057 -3.660 5.658 1.00 0.00 H new ATOM 0 HG LEU A 99 0.785 -5.042 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.792 -6.544 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.256 -4.870 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.503 -5.506 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.859 -7.012 4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.578 -6.013 6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.078 -5.683 5.495 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.256 -3.079 7.167 1.00 0.00 N ATOM 1351 CA LYS A 100 -1.060 -3.502 8.257 1.00 0.00 C ATOM 1352 C LYS A 100 -2.313 -2.662 8.325 1.00 0.00 C ATOM 1353 O LYS A 100 -3.387 -3.163 8.648 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.308 -3.491 9.598 1.00 0.00 C ATOM 1355 CG LYS A 100 0.476 -4.770 9.948 1.00 0.00 C ATOM 1356 CD LYS A 100 1.607 -5.108 8.979 1.00 0.00 C ATOM 1357 CE LYS A 100 2.378 -6.327 9.478 1.00 0.00 C ATOM 1358 NZ LYS A 100 3.498 -6.729 8.593 1.00 0.00 N ATOM 0 H LYS A 100 0.612 -2.613 7.431 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.333 -4.542 8.077 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.388 -2.653 9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.029 -3.302 10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.893 -4.662 10.949 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.219 -5.609 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.200 -5.306 7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.280 -4.256 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.771 -6.115 10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.688 -7.165 9.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.277 -7.107 9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.171 -7.461 7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.832 -5.902 8.059 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.193 -1.392 7.947 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.344 -0.501 8.017 1.00 0.00 C ATOM 1374 C ASP A 101 -4.330 -0.802 6.897 1.00 0.00 C ATOM 1375 O ASP A 101 -5.530 -0.670 7.061 1.00 0.00 O ATOM 1376 CB ASP A 101 -2.936 0.968 8.012 1.00 0.00 C ATOM 1377 CG ASP A 101 -4.116 1.897 8.217 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -4.829 1.757 9.238 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -4.310 2.828 7.409 1.00 0.00 O ATOM 0 H ASP A 101 -1.334 -0.966 7.598 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.840 -0.688 8.970 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.201 1.141 8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.451 1.204 7.065 1.00 0.00 H new ATOM 1384 N LEU A 102 -3.794 -1.254 5.778 1.00 0.00 N ATOM 1385 CA LEU A 102 -4.552 -1.655 4.605 1.00 0.00 C ATOM 1386 C LEU A 102 -5.477 -2.786 5.008 1.00 0.00 C ATOM 1387 O LEU A 102 -6.672 -2.763 4.719 1.00 0.00 O ATOM 1388 CB LEU A 102 -3.549 -2.090 3.486 1.00 0.00 C ATOM 1389 CG LEU A 102 -4.077 -2.389 2.055 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -2.908 -2.476 1.089 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -4.852 -3.698 1.993 1.00 0.00 C ATOM 0 H LEU A 102 -2.786 -1.356 5.656 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.156 -0.837 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.797 -1.305 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -3.036 -2.985 3.838 1.00 0.00 H new ATOM 0 HG LEU A 102 -4.750 -1.576 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.280 -2.686 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -2.368 -1.529 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.236 -3.276 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.202 -3.866 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.202 -4.520 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.707 -3.647 2.666 1.00 0.00 H new ATOM 1403 N LYS A 103 -4.925 -3.747 5.711 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.701 -4.869 6.201 1.00 0.00 C ATOM 1405 C LYS A 103 -6.686 -4.452 7.304 1.00 0.00 C ATOM 1406 O LYS A 103 -7.802 -4.972 7.372 1.00 0.00 O ATOM 1407 CB LYS A 103 -4.782 -5.988 6.669 1.00 0.00 C ATOM 1408 CG LYS A 103 -4.017 -6.646 5.534 1.00 0.00 C ATOM 1409 CD LYS A 103 -3.051 -7.691 6.052 1.00 0.00 C ATOM 1410 CE LYS A 103 -2.402 -8.465 4.914 1.00 0.00 C ATOM 1411 NZ LYS A 103 -1.686 -7.592 3.956 1.00 0.00 N ATOM 0 H LYS A 103 -3.936 -3.777 5.959 1.00 0.00 H new ATOM 0 HA LYS A 103 -6.302 -5.243 5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.072 -5.588 7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.374 -6.743 7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.719 -7.109 4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.469 -5.888 4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.279 -7.209 6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.579 -8.382 6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.703 -9.191 5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.168 -9.028 4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.774 -8.025 3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -2.260 -7.475 3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -1.521 -6.662 4.391 1.00 0.00 H new ATOM 1425 N ALA A 104 -6.302 -3.481 8.116 1.00 0.00 N ATOM 1426 CA ALA A 104 -7.135 -3.025 9.214 1.00 0.00 C ATOM 1427 C ALA A 104 -8.331 -2.257 8.689 1.00 0.00 C ATOM 1428 O ALA A 104 -9.481 -2.494 9.107 1.00 0.00 O ATOM 1429 CB ALA A 104 -6.328 -2.178 10.190 1.00 0.00 C ATOM 0 H ALA A 104 -5.411 -2.991 8.033 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.502 -3.898 9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.973 -1.848 11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.508 -2.771 10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.925 -1.309 9.670 1.00 0.00 H new ATOM 1435 N LEU A 105 -8.081 -1.391 7.716 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.118 -0.583 7.144 1.00 0.00 C ATOM 1437 C LEU A 105 -10.026 -1.485 6.373 1.00 0.00 C ATOM 1438 O LEU A 105 -11.191 -1.270 6.321 1.00 0.00 O ATOM 1439 CB LEU A 105 -8.578 0.576 6.270 1.00 0.00 C ATOM 1440 CG LEU A 105 -8.202 0.257 4.813 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -9.361 0.547 3.857 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -6.947 0.987 4.388 1.00 0.00 C ATOM 0 H LEU A 105 -7.157 -1.239 7.312 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.665 -0.089 7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.330 1.365 6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.696 0.984 6.762 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.993 -0.812 4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.059 0.310 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.221 -0.064 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.630 1.602 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.713 0.737 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.104 2.062 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.118 0.689 5.030 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.446 -2.519 5.786 1.00 0.00 N ATOM 1455 CA GLN A 106 -10.174 -3.531 5.050 1.00 0.00 C ATOM 1456 C GLN A 106 -11.191 -4.189 5.944 1.00 0.00 C ATOM 1457 O GLN A 106 -12.298 -4.408 5.526 1.00 0.00 O ATOM 1458 CB GLN A 106 -9.192 -4.550 4.498 1.00 0.00 C ATOM 1459 CG GLN A 106 -9.788 -5.714 3.744 1.00 0.00 C ATOM 1460 CD GLN A 106 -8.734 -6.746 3.369 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -9.025 -7.933 3.264 1.00 0.00 O ATOM 1462 NE2 GLN A 106 -7.506 -6.313 3.189 1.00 0.00 N ATOM 0 H GLN A 106 -8.439 -2.678 5.810 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.707 -3.071 4.218 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.498 -4.032 3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.606 -4.944 5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.558 -6.186 4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.277 -5.349 2.841 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.297 -5.319 3.284 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.762 -6.971 2.955 1.00 0.00 H new ATOM 1471 N LYS A 107 -10.824 -4.458 7.176 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.757 -5.028 8.131 1.00 0.00 C ATOM 1473 C LYS A 107 -12.841 -4.007 8.484 1.00 0.00 C ATOM 1474 O LYS A 107 -13.973 -4.359 8.721 1.00 0.00 O ATOM 1475 CB LYS A 107 -11.035 -5.524 9.391 1.00 0.00 C ATOM 1476 CG LYS A 107 -9.981 -6.593 9.120 1.00 0.00 C ATOM 1477 CD LYS A 107 -10.580 -7.846 8.482 1.00 0.00 C ATOM 1478 CE LYS A 107 -9.498 -8.865 8.156 1.00 0.00 C ATOM 1479 NZ LYS A 107 -10.051 -10.107 7.583 1.00 0.00 N ATOM 0 H LYS A 107 -9.887 -4.293 7.544 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.232 -5.893 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.559 -4.675 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.773 -5.923 10.087 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.213 -6.185 8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.491 -6.863 10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -11.310 -8.290 9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -11.114 -7.574 7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.790 -8.427 7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.941 -9.102 9.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -9.276 -10.770 7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.707 -10.541 8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.560 -9.887 6.703 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.468 -2.747 8.496 1.00 0.00 N ATOM 1494 CA ARG A 108 -13.383 -1.643 8.782 1.00 0.00 C ATOM 1495 C ARG A 108 -14.375 -1.497 7.630 1.00 0.00 C ATOM 1496 O ARG A 108 -15.585 -1.376 7.827 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.586 -0.351 9.030 1.00 0.00 C ATOM 1498 CG ARG A 108 -13.398 0.822 9.554 1.00 0.00 C ATOM 1499 CD ARG A 108 -12.503 2.026 9.823 1.00 0.00 C ATOM 1500 NE ARG A 108 -11.917 2.579 8.591 1.00 0.00 N ATOM 1501 CZ ARG A 108 -10.842 3.386 8.525 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -10.107 3.629 9.618 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -10.499 3.917 7.353 1.00 0.00 N ATOM 0 H ARG A 108 -11.512 -2.447 8.306 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.951 -1.850 9.689 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.789 -0.566 9.741 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.109 -0.053 8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.167 1.090 8.829 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -13.911 0.533 10.471 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -13.083 2.801 10.325 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.703 1.735 10.503 1.00 0.00 H new ATOM 0 HE ARG A 108 -12.365 2.328 7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.361 3.201 10.509 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.294 4.242 9.560 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.049 3.710 6.519 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -9.686 4.530 7.289 1.00 0.00 H new ATOM 1517 N VAL A 109 -13.845 -1.576 6.429 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.602 -1.510 5.231 1.00 0.00 C ATOM 1519 C VAL A 109 -15.514 -2.726 5.133 1.00 0.00 C ATOM 1520 O VAL A 109 -16.691 -2.624 4.776 1.00 0.00 O ATOM 1521 CB VAL A 109 -13.646 -1.439 4.026 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -14.385 -1.610 2.748 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -12.906 -0.119 4.025 1.00 0.00 C ATOM 0 H VAL A 109 -12.844 -1.691 6.271 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.224 -0.615 5.234 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.926 -2.253 4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -13.686 -1.556 1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.882 -2.580 2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.130 -0.820 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.233 -0.080 3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.623 0.700 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.329 -0.025 4.945 1.00 0.00 H new ATOM 1533 N GLN A 110 -14.956 -3.860 5.483 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.656 -5.123 5.533 1.00 0.00 C ATOM 1535 C GLN A 110 -16.781 -5.043 6.559 1.00 0.00 C ATOM 1536 O GLN A 110 -17.824 -5.648 6.410 1.00 0.00 O ATOM 1537 CB GLN A 110 -14.666 -6.205 5.942 1.00 0.00 C ATOM 1538 CG GLN A 110 -15.199 -7.597 5.897 1.00 0.00 C ATOM 1539 CD GLN A 110 -15.556 -8.025 4.490 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -16.680 -7.829 4.031 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -14.608 -8.586 3.788 1.00 0.00 N ATOM 0 H GLN A 110 -13.974 -3.933 5.749 1.00 0.00 H new ATOM 0 HA GLN A 110 -16.083 -5.355 4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.795 -6.144 5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.321 -5.997 6.955 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.457 -8.282 6.307 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.082 -7.667 6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.687 -8.733 4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -14.789 -8.877 2.827 1.00 0.00 H new ATOM 1550 N ASP A 111 -16.544 -4.274 7.589 1.00 0.00 N ATOM 1551 CA ASP A 111 -17.486 -4.123 8.664 1.00 0.00 C ATOM 1552 C ASP A 111 -18.662 -3.248 8.250 1.00 0.00 C ATOM 1553 O ASP A 111 -19.789 -3.441 8.713 1.00 0.00 O ATOM 1554 CB ASP A 111 -16.808 -3.544 9.899 1.00 0.00 C ATOM 1555 CG ASP A 111 -17.725 -3.432 11.082 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -17.848 -4.426 11.849 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -18.322 -2.354 11.295 1.00 0.00 O ATOM 0 H ASP A 111 -15.687 -3.733 7.705 1.00 0.00 H new ATOM 0 HA ASP A 111 -17.869 -5.114 8.908 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.957 -4.171 10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.413 -2.557 9.659 1.00 0.00 H new ATOM 1562 N SER A 112 -18.406 -2.304 7.362 1.00 0.00 N ATOM 1563 CA SER A 112 -19.430 -1.401 6.906 1.00 0.00 C ATOM 1564 C SER A 112 -20.362 -2.104 5.927 1.00 0.00 C ATOM 1565 O SER A 112 -21.561 -1.797 5.857 1.00 0.00 O ATOM 1566 CB SER A 112 -18.785 -0.176 6.251 1.00 0.00 C ATOM 1567 OG SER A 112 -17.893 0.477 7.158 1.00 0.00 O ATOM 0 H SER A 112 -17.489 -2.148 6.944 1.00 0.00 H new ATOM 0 HA SER A 112 -20.021 -1.073 7.761 1.00 0.00 H new ATOM 0 HB2 SER A 112 -18.242 -0.481 5.356 1.00 0.00 H new ATOM 0 HB3 SER A 112 -19.560 0.521 5.932 1.00 0.00 H new ATOM 0 HG SER A 112 -17.125 -0.105 7.337 1.00 0.00 H new