USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.13 K(o=1.1,f=-1.8!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -178:sc= 1.17 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 121:sc= 0.839 USER MOD Set 3.1: A 7 THR OG1 : rot 131:sc= 0.618 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.473 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.34 (180deg=1.29) USER MOD Single : A 2 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 0.144 (180deg=-0.053) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0229 USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.66 (180deg=1.52) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.5 K(o=0.5,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0237) USER MOD Single : A 49 GLN : amide:sc= -0.109! C(o=-0.11!,f=-4!) USER MOD Single : A 55 THR OG1 : rot -83:sc= 1.19 USER MOD Single : A 57 SER OG : rot 92:sc= 1.25 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.459 USER MOD Single : A 60 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 98:sc= 1.13 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.652 -4.429 -4.268 1.00 0.78 N ATOM 2 CA MET A 1 12.674 -5.260 -3.045 1.00 0.70 C ATOM 3 C MET A 1 11.299 -5.685 -2.659 1.00 0.62 C ATOM 4 O MET A 1 10.360 -5.342 -3.374 1.00 0.68 O ATOM 5 CB MET A 1 13.377 -4.452 -1.941 1.00 0.75 C ATOM 6 CG MET A 1 12.514 -3.501 -1.110 1.00 0.79 C ATOM 7 SD MET A 1 11.919 -2.082 -2.079 1.00 1.10 S ATOM 8 CE MET A 1 11.358 -1.016 -0.720 1.00 0.84 C ATOM 0 H1 MET A 1 13.613 -4.091 -4.476 1.00 0.78 H new ATOM 0 H2 MET A 1 12.304 -4.997 -5.067 1.00 0.78 H new ATOM 0 H3 MET A 1 12.023 -3.614 -4.123 1.00 0.78 H new ATOM 0 HA MET A 1 13.227 -6.183 -3.217 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.855 -5.156 -1.260 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.172 -3.868 -2.405 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.660 -4.047 -0.708 1.00 0.79 H new ATOM 0 HG3 MET A 1 13.092 -3.140 -0.259 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.957 -0.088 -1.127 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.582 -1.529 -0.152 1.00 0.84 H new ATOM 0 HE3 MET A 1 12.199 -0.790 -0.064 1.00 0.84 H new ATOM 20 N GLN A 2 11.210 -6.511 -1.600 1.00 0.59 N ATOM 21 CA GLN A 2 9.960 -7.119 -1.268 1.00 0.56 C ATOM 22 C GLN A 2 9.144 -6.427 -0.231 1.00 0.50 C ATOM 23 O GLN A 2 9.712 -5.958 0.754 1.00 0.60 O ATOM 24 CB GLN A 2 10.326 -8.476 -0.642 1.00 0.71 C ATOM 25 CG GLN A 2 9.215 -9.422 -0.185 1.00 1.15 C ATOM 26 CD GLN A 2 9.591 -10.821 0.281 1.00 1.30 C ATOM 27 OE1 GLN A 2 8.918 -11.830 0.074 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.731 -10.874 1.021 1.00 1.72 N ATOM 0 H GLN A 2 11.987 -6.754 -0.985 1.00 0.59 H new ATOM 0 HA GLN A 2 9.367 -7.127 -2.182 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.936 -9.015 -1.367 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.960 -8.276 0.222 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.681 -8.935 0.631 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.510 -9.527 -1.010 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.275 -10.026 1.181 1.00 1.72 H new ATOM 0 HE22 GLN A 2 11.042 -11.762 1.416 1.00 1.72 H new ATOM 37 N ILE A 3 7.843 -6.209 -0.495 1.00 0.44 N ATOM 38 CA ILE A 3 6.979 -5.664 0.506 1.00 0.42 C ATOM 39 C ILE A 3 5.766 -6.507 0.707 1.00 0.40 C ATOM 40 O ILE A 3 5.540 -7.317 -0.189 1.00 0.50 O ATOM 41 CB ILE A 3 6.549 -4.233 0.376 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.849 -3.951 -0.964 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.674 -3.247 0.733 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.171 -2.583 -0.948 1.00 0.72 C ATOM 0 H ILE A 3 7.394 -6.407 -1.389 1.00 0.44 H new ATOM 0 HA ILE A 3 7.639 -5.674 1.373 1.00 0.42 H new ATOM 0 HB ILE A 3 5.781 -4.056 1.129 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.577 -3.991 -1.774 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.108 -4.726 -1.162 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.311 -2.225 0.623 1.00 0.61 H new ATOM 0 HG22 ILE A 3 7.988 -3.411 1.764 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.522 -3.405 0.066 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.683 -2.407 -1.907 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.427 -2.555 -0.152 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.918 -1.809 -0.774 1.00 0.72 H new ATOM 56 N PHE A 4 5.002 -6.299 1.795 1.00 0.37 N ATOM 57 CA PHE A 4 3.863 -7.080 2.166 1.00 0.38 C ATOM 58 C PHE A 4 2.735 -6.121 2.336 1.00 0.39 C ATOM 59 O PHE A 4 2.871 -5.108 3.021 1.00 0.60 O ATOM 60 CB PHE A 4 4.140 -7.739 3.528 1.00 0.45 C ATOM 61 CG PHE A 4 5.306 -8.667 3.525 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.465 -9.760 2.705 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.329 -8.462 4.420 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.591 -10.548 2.749 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.399 -9.311 4.582 1.00 1.40 C ATOM 66 CZ PHE A 4 7.596 -10.307 3.656 1.00 0.85 C ATOM 0 H PHE A 4 5.191 -5.542 2.453 1.00 0.37 H new ATOM 0 HA PHE A 4 3.642 -7.845 1.422 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.311 -6.959 4.270 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.252 -8.288 3.842 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.681 -10.007 2.005 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.290 -7.576 5.036 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.688 -11.372 2.058 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.071 -9.197 5.420 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.510 -10.882 3.641 1.00 0.85 H new ATOM 76 N VAL A 5 1.616 -6.416 1.651 1.00 0.35 N ATOM 77 CA VAL A 5 0.413 -5.645 1.729 1.00 0.35 C ATOM 78 C VAL A 5 -0.655 -6.449 2.386 1.00 0.35 C ATOM 79 O VAL A 5 -1.038 -7.491 1.857 1.00 0.46 O ATOM 80 CB VAL A 5 -0.025 -5.179 0.372 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.353 -4.407 0.281 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.088 -4.412 -0.361 1.00 0.56 C ATOM 0 H VAL A 5 1.545 -7.216 1.023 1.00 0.35 H new ATOM 0 HA VAL A 5 0.608 -4.756 2.329 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.234 -6.122 -0.132 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.544 -4.133 -0.756 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.165 -5.036 0.646 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.292 -3.505 0.889 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.727 -4.093 -1.339 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.373 -3.537 0.223 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.954 -5.061 -0.488 1.00 0.56 H new ATOM 92 N LYS A 6 -1.159 -6.163 3.601 1.00 0.36 N ATOM 93 CA LYS A 6 -2.207 -6.931 4.197 1.00 0.39 C ATOM 94 C LYS A 6 -3.546 -6.343 3.910 1.00 0.46 C ATOM 95 O LYS A 6 -3.772 -5.147 4.090 1.00 0.53 O ATOM 96 CB LYS A 6 -2.203 -7.079 5.728 1.00 0.54 C ATOM 97 CG LYS A 6 -1.076 -8.006 6.188 1.00 1.22 C ATOM 98 CD LYS A 6 -1.385 -8.436 7.624 1.00 1.37 C ATOM 99 CE LYS A 6 -0.517 -9.519 8.267 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.843 -10.908 7.874 1.00 2.09 N ATOM 0 H LYS A 6 -0.834 -5.387 4.177 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.017 -7.905 3.747 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.084 -6.099 6.191 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.163 -7.475 6.061 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.006 -8.876 5.535 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.115 -7.493 6.141 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.328 -7.549 8.255 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.419 -8.781 7.651 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.525 -9.323 8.015 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.604 -9.436 9.350 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.224 -11.568 8.387 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.836 -11.111 8.108 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.698 -11.022 6.850 1.00 2.09 H new ATOM 114 N THR A 7 -4.545 -7.165 3.544 1.00 0.58 N ATOM 115 CA THR A 7 -5.870 -6.647 3.396 1.00 0.78 C ATOM 116 C THR A 7 -6.546 -6.619 4.724 1.00 0.94 C ATOM 117 O THR A 7 -5.925 -6.793 5.771 1.00 0.99 O ATOM 118 CB THR A 7 -6.643 -7.432 2.379 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.894 -8.754 2.834 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.919 -7.584 1.031 1.00 0.92 C ATOM 0 H THR A 7 -4.442 -8.162 3.355 1.00 0.58 H new ATOM 0 HA THR A 7 -5.820 -5.624 3.023 1.00 0.78 H new ATOM 0 HB THR A 7 -7.560 -6.859 2.241 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.842 -8.969 2.707 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.540 -8.163 0.348 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.733 -6.598 0.605 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.970 -8.099 1.184 1.00 0.92 H new ATOM 128 N LEU A 8 -7.873 -6.406 4.778 1.00 1.17 N ATOM 129 CA LEU A 8 -8.609 -6.542 5.996 1.00 1.39 C ATOM 130 C LEU A 8 -9.164 -7.914 6.169 1.00 1.44 C ATOM 131 O LEU A 8 -9.439 -8.329 7.293 1.00 1.60 O ATOM 132 CB LEU A 8 -9.783 -5.549 6.028 1.00 1.66 C ATOM 133 CG LEU A 8 -9.332 -4.120 6.375 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.373 -3.047 6.015 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.940 -3.883 7.844 1.00 2.43 C ATOM 0 H LEU A 8 -8.439 -6.138 3.973 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.907 -6.339 6.805 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.279 -5.545 5.057 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.518 -5.883 6.760 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.439 -4.024 5.757 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -9.990 -2.063 6.286 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.570 -3.077 4.943 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.297 -3.240 6.560 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.639 -2.844 7.977 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.793 -4.099 8.488 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.110 -4.538 8.109 1.00 2.43 H new ATOM 147 N THR A 9 -9.356 -8.665 5.070 1.00 1.41 N ATOM 148 CA THR A 9 -10.013 -9.934 5.118 1.00 1.51 C ATOM 149 C THR A 9 -9.135 -11.056 5.556 1.00 1.37 C ATOM 150 O THR A 9 -9.540 -11.866 6.388 1.00 1.62 O ATOM 151 CB THR A 9 -10.587 -10.248 3.768 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.644 -9.909 2.762 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.760 -9.272 3.577 1.00 2.08 C ATOM 0 H THR A 9 -9.052 -8.388 4.137 1.00 1.41 H new ATOM 0 HA THR A 9 -10.797 -9.846 5.871 1.00 1.51 H new ATOM 0 HB THR A 9 -10.863 -11.300 3.703 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.018 -10.115 1.880 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.225 -9.448 2.607 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.495 -9.428 4.366 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.392 -8.247 3.622 1.00 2.08 H new ATOM 161 N GLY A 10 -7.929 -11.149 4.967 1.00 1.18 N ATOM 162 CA GLY A 10 -7.058 -12.176 5.449 1.00 1.22 C ATOM 163 C GLY A 10 -6.006 -12.519 4.451 1.00 0.99 C ATOM 164 O GLY A 10 -5.504 -13.641 4.468 1.00 1.31 O ATOM 0 H GLY A 10 -7.574 -10.561 4.212 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.587 -11.849 6.376 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.641 -13.067 5.684 1.00 1.22 H new ATOM 168 N LYS A 11 -5.667 -11.571 3.559 1.00 0.73 N ATOM 169 CA LYS A 11 -4.705 -11.856 2.540 1.00 0.60 C ATOM 170 C LYS A 11 -3.543 -10.941 2.718 1.00 0.51 C ATOM 171 O LYS A 11 -3.723 -9.725 2.687 1.00 0.63 O ATOM 172 CB LYS A 11 -5.368 -11.655 1.168 1.00 0.75 C ATOM 173 CG LYS A 11 -4.433 -12.053 0.024 1.00 0.87 C ATOM 174 CD LYS A 11 -4.954 -11.972 -1.413 1.00 1.04 C ATOM 175 CE LYS A 11 -3.956 -12.483 -2.454 1.00 1.30 C ATOM 176 NZ LYS A 11 -4.493 -12.172 -3.798 1.00 1.40 N ATOM 0 H LYS A 11 -6.050 -10.626 3.542 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.352 -12.885 2.606 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.281 -12.248 1.115 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.659 -10.611 1.054 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.545 -11.425 0.089 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.111 -13.079 0.202 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.875 -12.550 -1.490 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.207 -10.937 -1.641 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -2.984 -12.010 -2.314 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.807 -13.557 -2.343 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.047 -12.794 -4.502 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.522 -12.323 -3.804 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -4.288 -11.180 -4.033 1.00 1.40 H new ATOM 190 N THR A 12 -2.341 -11.532 2.845 1.00 0.49 N ATOM 191 CA THR A 12 -1.107 -10.814 2.770 1.00 0.48 C ATOM 192 C THR A 12 -0.471 -11.020 1.438 1.00 0.52 C ATOM 193 O THR A 12 -0.227 -12.162 1.050 1.00 0.72 O ATOM 194 CB THR A 12 -0.080 -11.145 3.812 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.701 -11.243 5.084 1.00 0.77 O ATOM 196 CG2 THR A 12 0.969 -10.020 3.811 1.00 0.78 C ATOM 0 H THR A 12 -2.225 -12.533 3.004 1.00 0.49 H new ATOM 0 HA THR A 12 -1.405 -9.780 2.946 1.00 0.48 H new ATOM 0 HB THR A 12 0.397 -12.101 3.594 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.551 -12.138 5.453 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.731 -10.233 4.560 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.435 -9.958 2.827 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.485 -9.071 4.044 1.00 0.78 H new ATOM 204 N ILE A 13 -0.254 -9.974 0.621 1.00 0.48 N ATOM 205 CA ILE A 13 0.162 -10.001 -0.746 1.00 0.55 C ATOM 206 C ILE A 13 1.595 -9.605 -0.854 1.00 0.51 C ATOM 207 O ILE A 13 1.903 -8.568 -0.268 1.00 0.56 O ATOM 208 CB ILE A 13 -0.607 -9.125 -1.691 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.105 -9.260 -1.368 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.207 -9.540 -3.117 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.919 -8.667 -2.517 1.00 1.55 C ATOM 0 H ILE A 13 -0.383 -9.018 0.953 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.025 -11.032 -1.048 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.380 -8.063 -1.592 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.366 -10.309 -1.224 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.337 -8.743 -0.437 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.745 -8.926 -3.839 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.866 -9.400 -3.249 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.458 -10.589 -3.275 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.982 -8.759 -2.295 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.664 -7.614 -2.639 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.693 -9.204 -3.438 1.00 1.55 H new ATOM 223 N THR A 14 2.403 -10.416 -1.559 1.00 0.55 N ATOM 224 CA THR A 14 3.807 -10.170 -1.674 1.00 0.54 C ATOM 225 C THR A 14 4.061 -9.510 -2.986 1.00 0.55 C ATOM 226 O THR A 14 3.832 -10.115 -4.031 1.00 0.72 O ATOM 227 CB THR A 14 4.626 -11.426 -1.708 1.00 0.67 C ATOM 228 OG1 THR A 14 4.419 -12.141 -0.499 1.00 1.08 O ATOM 229 CG2 THR A 14 6.148 -11.212 -1.767 1.00 1.03 C ATOM 0 H THR A 14 2.081 -11.248 -2.053 1.00 0.55 H new ATOM 0 HA THR A 14 4.087 -9.572 -0.806 1.00 0.54 H new ATOM 0 HB THR A 14 4.303 -11.939 -2.614 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.949 -12.965 -0.512 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.651 -12.179 -1.788 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.402 -10.651 -2.666 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.471 -10.654 -0.888 1.00 1.03 H new ATOM 237 N LEU A 15 4.434 -8.220 -3.065 1.00 0.50 N ATOM 238 CA LEU A 15 4.698 -7.500 -4.272 1.00 0.55 C ATOM 239 C LEU A 15 6.091 -6.976 -4.250 1.00 0.52 C ATOM 240 O LEU A 15 6.702 -6.584 -3.256 1.00 0.58 O ATOM 241 CB LEU A 15 3.647 -6.408 -4.535 1.00 0.69 C ATOM 242 CG LEU A 15 2.202 -6.806 -4.880 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.248 -5.638 -4.575 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.151 -7.309 -6.333 1.00 1.55 C ATOM 0 H LEU A 15 4.559 -7.644 -2.232 1.00 0.50 H new ATOM 0 HA LEU A 15 4.615 -8.185 -5.116 1.00 0.55 H new ATOM 0 HB2 LEU A 15 3.607 -5.775 -3.649 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.018 -5.790 -5.352 1.00 0.69 H new ATOM 0 HG LEU A 15 1.860 -7.632 -4.256 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.227 -5.928 -4.822 1.00 1.38 H new ATOM 0 HD12 LEU A 15 1.308 -5.387 -3.516 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.533 -4.771 -5.170 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.129 -7.593 -6.584 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.483 -6.517 -7.004 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.805 -8.174 -6.442 1.00 1.55 H new ATOM 256 N GLU A 16 6.741 -6.895 -5.425 1.00 0.59 N ATOM 257 CA GLU A 16 8.026 -6.272 -5.496 1.00 0.63 C ATOM 258 C GLU A 16 8.004 -4.865 -5.984 1.00 0.65 C ATOM 259 O GLU A 16 7.455 -4.585 -7.048 1.00 0.81 O ATOM 260 CB GLU A 16 9.043 -7.103 -6.296 1.00 0.76 C ATOM 261 CG GLU A 16 9.319 -8.527 -5.807 1.00 1.41 C ATOM 262 CD GLU A 16 10.438 -9.230 -6.562 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.966 -8.763 -7.606 1.00 1.95 O ATOM 264 OE2 GLU A 16 10.886 -10.292 -6.055 1.00 1.92 O ATOM 0 H GLU A 16 6.385 -7.254 -6.311 1.00 0.59 H new ATOM 0 HA GLU A 16 8.354 -6.231 -4.457 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.696 -7.161 -7.328 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.988 -6.560 -6.308 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.573 -8.494 -4.747 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.406 -9.116 -5.898 1.00 1.41 H new ATOM 271 N VAL A 17 8.559 -3.861 -5.281 1.00 0.61 N ATOM 272 CA VAL A 17 8.537 -2.473 -5.623 1.00 0.63 C ATOM 273 C VAL A 17 9.959 -2.030 -5.647 1.00 0.65 C ATOM 274 O VAL A 17 10.776 -2.588 -4.917 1.00 0.76 O ATOM 275 CB VAL A 17 7.655 -1.671 -4.712 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.208 -2.188 -4.766 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.112 -1.802 -3.248 1.00 0.92 C ATOM 0 H VAL A 17 9.060 -4.034 -4.409 1.00 0.61 H new ATOM 0 HA VAL A 17 8.086 -2.309 -6.602 1.00 0.63 H new ATOM 0 HB VAL A 17 7.716 -0.635 -5.047 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.584 -1.594 -4.099 1.00 0.96 H new ATOM 0 HG12 VAL A 17 5.830 -2.106 -5.785 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.183 -3.232 -4.453 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.457 -1.211 -2.608 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.068 -2.848 -2.945 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.135 -1.439 -3.152 1.00 0.92 H new ATOM 287 N GLU A 18 10.389 -1.036 -6.445 1.00 0.68 N ATOM 288 CA GLU A 18 11.633 -0.332 -6.393 1.00 0.74 C ATOM 289 C GLU A 18 11.609 0.825 -5.454 1.00 0.71 C ATOM 290 O GLU A 18 10.593 1.510 -5.564 1.00 0.74 O ATOM 291 CB GLU A 18 12.102 0.270 -7.728 1.00 0.88 C ATOM 292 CG GLU A 18 12.434 -0.679 -8.882 1.00 1.16 C ATOM 293 CD GLU A 18 11.343 -1.638 -9.334 1.00 1.71 C ATOM 294 OE1 GLU A 18 10.154 -1.218 -9.364 1.00 2.35 O ATOM 295 OE2 GLU A 18 11.650 -2.838 -9.568 1.00 2.33 O ATOM 0 H GLU A 18 9.802 -0.692 -7.205 1.00 0.68 H new ATOM 0 HA GLU A 18 12.312 -1.122 -6.072 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.326 0.953 -8.074 1.00 0.88 H new ATOM 0 HB3 GLU A 18 12.989 0.870 -7.527 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.729 -0.076 -9.740 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.304 -1.270 -8.593 1.00 1.16 H new ATOM 302 N PRO A 19 12.561 1.198 -4.651 1.00 0.74 N ATOM 303 CA PRO A 19 12.339 2.142 -3.595 1.00 0.74 C ATOM 304 C PRO A 19 12.272 3.547 -4.085 1.00 0.70 C ATOM 305 O PRO A 19 12.132 4.503 -3.324 1.00 0.74 O ATOM 306 CB PRO A 19 13.593 2.033 -2.731 1.00 0.86 C ATOM 307 CG PRO A 19 14.726 1.471 -3.606 1.00 0.95 C ATOM 308 CD PRO A 19 13.903 0.639 -4.602 1.00 0.82 C ATOM 0 HA PRO A 19 11.398 1.926 -3.090 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.868 3.010 -2.333 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.412 1.380 -1.877 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.304 2.255 -4.095 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.430 0.864 -3.037 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.362 0.663 -5.590 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.870 -0.405 -4.291 1.00 0.82 H new ATOM 316 N SER A 20 12.312 3.794 -5.406 1.00 0.70 N ATOM 317 CA SER A 20 12.113 5.084 -5.992 1.00 0.74 C ATOM 318 C SER A 20 10.782 5.193 -6.654 1.00 0.71 C ATOM 319 O SER A 20 10.540 6.205 -7.310 1.00 0.80 O ATOM 320 CB SER A 20 13.179 5.260 -7.086 1.00 0.89 C ATOM 321 OG SER A 20 13.193 4.143 -7.964 1.00 1.45 O ATOM 0 H SER A 20 12.491 3.064 -6.096 1.00 0.70 H new ATOM 0 HA SER A 20 12.177 5.836 -5.206 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.979 6.170 -7.652 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.161 5.380 -6.627 1.00 0.89 H new ATOM 0 HG SER A 20 13.877 4.277 -8.653 1.00 1.45 H new ATOM 327 N ASP A 21 9.853 4.233 -6.494 1.00 0.70 N ATOM 328 CA ASP A 21 8.530 4.454 -6.987 1.00 0.73 C ATOM 329 C ASP A 21 7.680 5.064 -5.927 1.00 0.64 C ATOM 330 O ASP A 21 7.963 5.086 -4.731 1.00 0.66 O ATOM 331 CB ASP A 21 7.977 3.095 -7.450 1.00 0.87 C ATOM 332 CG ASP A 21 7.209 3.203 -8.760 1.00 1.05 C ATOM 333 OD1 ASP A 21 7.084 4.275 -9.410 1.00 1.50 O ATOM 334 OD2 ASP A 21 6.877 2.065 -9.187 1.00 1.69 O ATOM 0 H ASP A 21 10.009 3.333 -6.039 1.00 0.70 H new ATOM 0 HA ASP A 21 8.535 5.151 -7.825 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.801 2.391 -7.571 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.322 2.689 -6.679 1.00 0.87 H new ATOM 339 N THR A 22 6.601 5.749 -6.348 1.00 0.63 N ATOM 340 CA THR A 22 5.708 6.475 -5.499 1.00 0.58 C ATOM 341 C THR A 22 4.724 5.500 -4.950 1.00 0.53 C ATOM 342 O THR A 22 4.469 4.418 -5.476 1.00 0.58 O ATOM 343 CB THR A 22 4.929 7.596 -6.121 1.00 0.63 C ATOM 344 OG1 THR A 22 4.161 7.248 -7.264 1.00 0.70 O ATOM 345 CG2 THR A 22 5.946 8.613 -6.666 1.00 0.75 C ATOM 0 H THR A 22 6.338 5.798 -7.332 1.00 0.63 H new ATOM 0 HA THR A 22 6.350 6.954 -4.760 1.00 0.58 H new ATOM 0 HB THR A 22 4.256 7.944 -5.338 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.690 8.041 -7.595 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.416 9.446 -7.128 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.563 8.984 -5.848 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.581 8.130 -7.409 1.00 0.75 H new ATOM 353 N ILE A 23 4.000 5.945 -3.907 1.00 0.51 N ATOM 354 CA ILE A 23 2.945 5.274 -3.216 1.00 0.48 C ATOM 355 C ILE A 23 1.749 5.139 -4.094 1.00 0.48 C ATOM 356 O ILE A 23 1.033 4.139 -4.063 1.00 0.51 O ATOM 357 CB ILE A 23 2.784 5.707 -1.788 1.00 0.52 C ATOM 358 CG1 ILE A 23 4.095 5.598 -0.992 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.635 4.957 -1.091 1.00 0.61 C ATOM 360 CD1 ILE A 23 5.011 4.383 -1.140 1.00 0.73 C ATOM 0 H ILE A 23 4.174 6.869 -3.511 1.00 0.51 H new ATOM 0 HA ILE A 23 3.212 4.234 -3.027 1.00 0.48 H new ATOM 0 HB ILE A 23 2.518 6.764 -1.812 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.690 6.478 -1.237 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.834 5.674 0.064 1.00 0.60 H new ATOM 0 HG21 ILE A 23 1.551 5.298 -0.059 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.700 5.154 -1.616 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.839 3.886 -1.103 1.00 0.61 H new ATOM 0 HD11 ILE A 23 5.881 4.502 -0.494 1.00 0.73 H new ATOM 0 HD12 ILE A 23 4.468 3.481 -0.856 1.00 0.73 H new ATOM 0 HD13 ILE A 23 5.338 4.298 -2.176 1.00 0.73 H new ATOM 372 N GLU A 24 1.507 6.190 -4.898 1.00 0.50 N ATOM 373 CA GLU A 24 0.541 6.108 -5.949 1.00 0.53 C ATOM 374 C GLU A 24 0.754 5.024 -6.947 1.00 0.50 C ATOM 375 O GLU A 24 -0.111 4.318 -7.464 1.00 0.55 O ATOM 376 CB GLU A 24 0.594 7.432 -6.731 1.00 0.64 C ATOM 377 CG GLU A 24 -0.693 7.862 -7.437 1.00 0.95 C ATOM 378 CD GLU A 24 -0.620 9.093 -8.329 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.235 10.017 -8.288 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.577 9.187 -9.144 1.00 1.56 O ATOM 0 H GLU A 24 1.977 7.092 -4.821 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.408 5.897 -5.456 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.885 8.224 -6.041 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.383 7.355 -7.479 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -1.041 7.026 -8.043 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.452 8.041 -6.676 1.00 0.95 H new ATOM 387 N ASN A 25 1.992 4.640 -7.305 1.00 0.51 N ATOM 388 CA ASN A 25 2.239 3.568 -8.221 1.00 0.52 C ATOM 389 C ASN A 25 2.205 2.223 -7.581 1.00 0.47 C ATOM 390 O ASN A 25 1.794 1.292 -8.272 1.00 0.53 O ATOM 391 CB ASN A 25 3.646 3.709 -8.823 1.00 0.64 C ATOM 392 CG ASN A 25 3.615 4.973 -9.669 1.00 1.23 C ATOM 393 OD1 ASN A 25 2.576 5.463 -10.110 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.802 5.563 -9.974 1.00 1.57 N ATOM 0 H ASN A 25 2.840 5.083 -6.951 1.00 0.51 H new ATOM 0 HA ASN A 25 1.447 3.636 -8.967 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.400 3.782 -8.039 1.00 0.64 H new ATOM 0 HB3 ASN A 25 3.900 2.840 -9.429 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.821 6.398 -10.560 1.00 1.57 H new ATOM 0 HD22 ASN A 25 5.673 5.171 -9.617 1.00 1.57 H new ATOM 401 N VAL A 26 2.491 2.092 -6.273 1.00 0.45 N ATOM 402 CA VAL A 26 2.218 0.951 -5.455 1.00 0.44 C ATOM 403 C VAL A 26 0.798 0.506 -5.514 1.00 0.40 C ATOM 404 O VAL A 26 0.488 -0.662 -5.748 1.00 0.44 O ATOM 405 CB VAL A 26 2.710 1.173 -4.056 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.483 -0.113 -3.244 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.208 1.509 -4.152 1.00 0.62 C ATOM 0 H VAL A 26 2.947 2.840 -5.750 1.00 0.45 H new ATOM 0 HA VAL A 26 2.780 0.114 -5.871 1.00 0.44 H new ATOM 0 HB VAL A 26 2.181 1.986 -3.560 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.837 0.034 -2.223 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.419 -0.351 -3.229 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.032 -0.935 -3.703 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.608 1.679 -3.152 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.738 0.679 -4.619 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.341 2.408 -4.753 1.00 0.62 H new ATOM 417 N LYS A 27 -0.171 1.435 -5.442 1.00 0.40 N ATOM 418 CA LYS A 27 -1.567 1.159 -5.583 1.00 0.41 C ATOM 419 C LYS A 27 -1.898 0.728 -6.971 1.00 0.38 C ATOM 420 O LYS A 27 -2.656 -0.219 -7.168 1.00 0.42 O ATOM 421 CB LYS A 27 -2.535 2.278 -5.161 1.00 0.51 C ATOM 422 CG LYS A 27 -2.376 2.600 -3.675 1.00 0.76 C ATOM 423 CD LYS A 27 -3.318 3.712 -3.207 1.00 0.82 C ATOM 424 CE LYS A 27 -2.891 5.160 -3.451 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.978 6.128 -3.183 1.00 1.11 N ATOM 0 H LYS A 27 0.027 2.422 -5.278 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.727 0.351 -4.869 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.345 3.173 -5.754 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.562 1.973 -5.364 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.565 1.700 -3.090 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.345 2.897 -3.480 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.282 3.561 -3.693 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.478 3.586 -2.136 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.036 5.394 -2.816 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.560 5.268 -4.484 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.631 7.094 -3.347 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.779 5.935 -3.818 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.289 6.036 -2.195 1.00 1.11 H new ATOM 439 N ALA A 28 -1.298 1.355 -7.999 1.00 0.39 N ATOM 440 CA ALA A 28 -1.438 1.009 -9.379 1.00 0.39 C ATOM 441 C ALA A 28 -1.003 -0.380 -9.698 1.00 0.36 C ATOM 442 O ALA A 28 -1.653 -1.171 -10.380 1.00 0.42 O ATOM 443 CB ALA A 28 -0.744 2.072 -10.245 1.00 0.51 C ATOM 0 H ALA A 28 -0.678 2.152 -7.857 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.502 1.007 -9.616 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.850 1.810 -11.298 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.203 3.044 -10.065 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.314 2.117 -9.987 1.00 0.51 H new ATOM 449 N LYS A 29 0.064 -0.833 -9.016 1.00 0.39 N ATOM 450 CA LYS A 29 0.455 -2.204 -8.894 1.00 0.43 C ATOM 451 C LYS A 29 -0.486 -3.102 -8.168 1.00 0.44 C ATOM 452 O LYS A 29 -0.888 -4.152 -8.669 1.00 0.54 O ATOM 453 CB LYS A 29 1.877 -2.359 -8.330 1.00 0.54 C ATOM 454 CG LYS A 29 2.657 -3.643 -8.623 1.00 0.65 C ATOM 455 CD LYS A 29 3.975 -3.730 -7.852 1.00 1.08 C ATOM 456 CE LYS A 29 5.103 -2.822 -8.345 1.00 1.24 C ATOM 457 NZ LYS A 29 5.797 -3.370 -9.531 1.00 1.44 N ATOM 0 H LYS A 29 0.693 -0.202 -8.519 1.00 0.39 H new ATOM 0 HA LYS A 29 0.428 -2.546 -9.928 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.470 -1.522 -8.699 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.815 -2.252 -7.247 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.037 -4.504 -8.371 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.863 -3.701 -9.692 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.777 -3.495 -6.806 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.325 -4.762 -7.886 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.695 -1.841 -8.588 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.825 -2.676 -7.541 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.551 -2.717 -9.824 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.211 -4.294 -9.295 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.117 -3.485 -10.309 1.00 1.44 H new ATOM 471 N ILE A 30 -1.023 -2.735 -6.991 1.00 0.41 N ATOM 472 CA ILE A 30 -2.123 -3.429 -6.396 1.00 0.44 C ATOM 473 C ILE A 30 -3.372 -3.423 -7.208 1.00 0.45 C ATOM 474 O ILE A 30 -4.112 -4.405 -7.181 1.00 0.56 O ATOM 475 CB ILE A 30 -2.401 -2.840 -5.045 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.199 -2.802 -4.087 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.408 -3.734 -4.303 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.322 -1.864 -2.886 1.00 1.32 C ATOM 0 H ILE A 30 -0.688 -1.943 -6.443 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.821 -4.474 -6.325 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.734 -1.826 -5.264 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.024 -3.812 -3.716 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.316 -2.515 -4.657 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -3.614 -3.311 -3.320 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.334 -3.791 -4.875 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -2.990 -4.734 -4.187 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.415 -1.923 -2.284 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.459 -0.841 -3.236 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.179 -2.159 -2.281 1.00 1.32 H new ATOM 490 N GLN A 31 -3.679 -2.455 -8.090 1.00 0.41 N ATOM 491 CA GLN A 31 -4.795 -2.440 -8.985 1.00 0.48 C ATOM 492 C GLN A 31 -4.635 -3.506 -10.013 1.00 0.52 C ATOM 493 O GLN A 31 -5.509 -4.316 -10.321 1.00 0.66 O ATOM 494 CB GLN A 31 -4.900 -1.067 -9.671 1.00 0.52 C ATOM 495 CG GLN A 31 -5.964 -1.114 -10.770 1.00 0.70 C ATOM 496 CD GLN A 31 -6.273 0.153 -11.556 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.377 0.694 -11.586 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.320 0.602 -12.415 1.00 1.43 N ATOM 0 H GLN A 31 -3.102 -1.619 -8.184 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.707 -2.625 -8.417 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.156 -0.303 -8.937 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.936 -0.789 -10.097 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.664 -1.880 -11.485 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.894 -1.452 -10.313 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.393 0.176 -12.417 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.532 1.365 -13.058 1.00 1.43 H new ATOM 507 N ASP A 32 -3.422 -3.612 -10.586 1.00 0.50 N ATOM 508 CA ASP A 32 -2.998 -4.607 -11.520 1.00 0.60 C ATOM 509 C ASP A 32 -3.158 -5.920 -10.835 1.00 0.65 C ATOM 510 O ASP A 32 -3.566 -6.868 -11.504 1.00 0.81 O ATOM 511 CB ASP A 32 -1.569 -4.330 -12.022 1.00 0.67 C ATOM 512 CG ASP A 32 -1.070 -5.316 -13.067 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.539 -5.297 -14.237 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.166 -6.120 -12.715 1.00 1.51 O ATOM 0 H ASP A 32 -2.679 -2.946 -10.377 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.602 -4.601 -12.427 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.532 -3.325 -12.441 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.888 -4.345 -11.171 1.00 0.67 H new ATOM 519 N LYS A 33 -2.914 -6.111 -9.526 1.00 0.62 N ATOM 520 CA LYS A 33 -2.873 -7.361 -8.832 1.00 0.73 C ATOM 521 C LYS A 33 -4.225 -7.930 -8.574 1.00 0.69 C ATOM 522 O LYS A 33 -4.521 -9.047 -8.996 1.00 0.83 O ATOM 523 CB LYS A 33 -1.968 -7.264 -7.591 1.00 0.85 C ATOM 524 CG LYS A 33 -1.630 -8.647 -7.031 1.00 1.31 C ATOM 525 CD LYS A 33 -0.873 -9.576 -7.981 1.00 1.71 C ATOM 526 CE LYS A 33 -0.194 -10.727 -7.237 1.00 2.26 C ATOM 527 NZ LYS A 33 0.412 -11.642 -8.231 1.00 2.62 N ATOM 0 H LYS A 33 -2.730 -5.325 -8.903 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.410 -8.098 -9.489 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.048 -6.741 -7.851 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.465 -6.671 -6.823 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.035 -8.518 -6.127 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -2.558 -9.136 -6.735 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -1.564 -9.980 -8.720 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.122 -9.004 -8.526 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.571 -10.342 -6.562 1.00 2.26 H new ATOM 0 HE3 LYS A 33 -0.920 -11.262 -6.624 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 0.878 -12.431 -7.738 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 -0.330 -12.015 -8.857 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.114 -11.124 -8.797 1.00 2.62 H new ATOM 541 N GLU A 34 -5.038 -7.096 -7.901 1.00 0.63 N ATOM 542 CA GLU A 34 -6.257 -7.478 -7.257 1.00 0.67 C ATOM 543 C GLU A 34 -7.497 -6.928 -7.872 1.00 0.69 C ATOM 544 O GLU A 34 -8.584 -7.443 -7.610 1.00 0.95 O ATOM 545 CB GLU A 34 -6.134 -6.988 -5.804 1.00 0.73 C ATOM 546 CG GLU A 34 -5.067 -7.695 -4.967 1.00 0.83 C ATOM 547 CD GLU A 34 -5.531 -9.095 -4.594 1.00 0.95 C ATOM 548 OE1 GLU A 34 -5.308 -10.119 -5.295 1.00 1.48 O ATOM 549 OE2 GLU A 34 -6.090 -9.278 -3.480 1.00 1.37 O ATOM 0 H GLU A 34 -4.834 -6.102 -7.801 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.370 -8.558 -7.349 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.916 -5.920 -5.815 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.099 -7.111 -5.313 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.134 -7.751 -5.527 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.863 -7.119 -4.064 1.00 0.83 H new ATOM 556 N GLY A 35 -7.384 -5.899 -8.730 1.00 0.63 N ATOM 557 CA GLY A 35 -8.503 -5.346 -9.428 1.00 0.68 C ATOM 558 C GLY A 35 -9.208 -4.238 -8.727 1.00 0.76 C ATOM 559 O GLY A 35 -10.318 -3.829 -9.065 1.00 1.12 O ATOM 0 H GLY A 35 -6.498 -5.442 -8.943 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.161 -4.981 -10.397 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.219 -6.144 -9.622 1.00 0.68 H new ATOM 563 N ILE A 36 -8.492 -3.600 -7.784 1.00 0.70 N ATOM 564 CA ILE A 36 -8.987 -2.522 -6.986 1.00 0.76 C ATOM 565 C ILE A 36 -8.491 -1.210 -7.491 1.00 0.71 C ATOM 566 O ILE A 36 -7.290 -1.038 -7.688 1.00 0.73 O ATOM 567 CB ILE A 36 -8.690 -2.557 -5.516 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.973 -3.933 -4.889 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.460 -1.551 -4.642 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.112 -4.251 -3.668 1.00 1.16 C ATOM 0 H ILE A 36 -7.526 -3.846 -7.569 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.065 -2.648 -7.088 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.632 -2.296 -5.511 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.023 -3.980 -4.602 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.814 -4.704 -5.643 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.162 -1.671 -3.600 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.234 -0.536 -4.970 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.531 -1.732 -4.736 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.373 -5.238 -3.286 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.060 -4.238 -3.952 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.288 -3.504 -2.894 1.00 1.16 H new ATOM 582 N PRO A 37 -9.213 -0.150 -7.703 1.00 0.75 N ATOM 583 CA PRO A 37 -8.739 1.121 -8.168 1.00 0.79 C ATOM 584 C PRO A 37 -7.920 1.891 -7.190 1.00 0.75 C ATOM 585 O PRO A 37 -8.148 1.770 -5.987 1.00 0.75 O ATOM 586 CB PRO A 37 -9.980 1.977 -8.405 1.00 0.95 C ATOM 587 CG PRO A 37 -10.969 0.909 -8.900 1.00 1.02 C ATOM 588 CD PRO A 37 -10.620 -0.313 -8.035 1.00 0.85 C ATOM 0 HA PRO A 37 -8.113 0.919 -9.037 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.323 2.470 -7.495 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.809 2.758 -9.146 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.004 1.221 -8.759 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.841 0.701 -9.962 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.236 -0.349 -7.136 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.792 -1.243 -8.577 1.00 0.85 H new ATOM 596 N PRO A 38 -6.913 2.649 -7.508 1.00 0.81 N ATOM 597 CA PRO A 38 -6.089 3.420 -6.624 1.00 0.85 C ATOM 598 C PRO A 38 -6.692 4.643 -6.024 1.00 0.89 C ATOM 599 O PRO A 38 -6.191 5.140 -5.017 1.00 0.99 O ATOM 600 CB PRO A 38 -4.818 3.660 -7.436 1.00 1.01 C ATOM 601 CG PRO A 38 -5.389 3.989 -8.824 1.00 1.25 C ATOM 602 CD PRO A 38 -6.506 2.935 -8.876 1.00 0.98 C ATOM 0 HA PRO A 38 -5.906 2.874 -5.699 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.224 4.481 -7.033 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.174 2.781 -7.457 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.768 5.009 -8.893 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.656 3.866 -9.621 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.352 3.303 -9.457 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.153 2.028 -9.367 1.00 0.98 H new ATOM 610 N ASP A 39 -7.911 5.040 -6.431 1.00 0.96 N ATOM 611 CA ASP A 39 -8.705 6.055 -5.810 1.00 1.11 C ATOM 612 C ASP A 39 -9.379 5.470 -4.617 1.00 1.00 C ATOM 613 O ASP A 39 -9.562 6.194 -3.639 1.00 1.14 O ATOM 614 CB ASP A 39 -9.584 6.713 -6.886 1.00 1.39 C ATOM 615 CG ASP A 39 -10.048 5.746 -7.967 1.00 1.73 C ATOM 616 OD1 ASP A 39 -11.126 5.107 -7.837 1.00 2.23 O ATOM 617 OD2 ASP A 39 -9.314 5.788 -8.989 1.00 2.25 O ATOM 0 H ASP A 39 -8.370 4.627 -7.243 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.128 6.884 -5.400 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.457 7.158 -6.408 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -9.027 7.526 -7.352 1.00 1.39 H new ATOM 622 N GLN A 40 -9.843 4.215 -4.749 1.00 0.87 N ATOM 623 CA GLN A 40 -10.500 3.522 -3.685 1.00 0.84 C ATOM 624 C GLN A 40 -9.572 3.072 -2.609 1.00 0.67 C ATOM 625 O GLN A 40 -9.922 3.054 -1.431 1.00 0.80 O ATOM 626 CB GLN A 40 -11.313 2.357 -4.274 1.00 0.95 C ATOM 627 CG GLN A 40 -12.559 2.203 -3.400 1.00 1.32 C ATOM 628 CD GLN A 40 -13.528 1.153 -3.924 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.198 -0.028 -4.017 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.738 1.617 -4.338 1.00 2.02 N ATOM 0 H GLN A 40 -9.761 3.672 -5.609 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.174 4.222 -3.191 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.589 2.562 -5.308 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.726 1.438 -4.277 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.255 1.936 -2.388 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.072 3.163 -3.336 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.966 2.606 -4.240 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.418 0.975 -4.747 1.00 2.02 H new ATOM 639 N GLN A 41 -8.352 2.654 -2.993 1.00 0.56 N ATOM 640 CA GLN A 41 -7.422 2.104 -2.056 1.00 0.51 C ATOM 641 C GLN A 41 -6.792 3.109 -1.155 1.00 0.49 C ATOM 642 O GLN A 41 -6.448 4.225 -1.545 1.00 0.65 O ATOM 643 CB GLN A 41 -6.204 1.480 -2.758 1.00 0.67 C ATOM 644 CG GLN A 41 -6.549 0.300 -3.668 1.00 0.69 C ATOM 645 CD GLN A 41 -5.240 -0.089 -4.340 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.174 -0.336 -3.779 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.330 -0.111 -5.697 1.00 0.61 N ATOM 0 H GLN A 41 -8.010 2.697 -3.953 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.037 1.393 -1.504 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.705 2.248 -3.349 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.493 1.147 -2.002 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.958 -0.532 -3.095 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.301 0.580 -4.406 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.219 0.095 -6.153 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.509 -0.334 -6.259 1.00 0.61 H new ATOM 656 N ARG A 42 -6.722 2.787 0.149 1.00 0.47 N ATOM 657 CA ARG A 42 -6.143 3.621 1.157 1.00 0.55 C ATOM 658 C ARG A 42 -5.051 2.851 1.817 1.00 0.46 C ATOM 659 O ARG A 42 -5.422 1.858 2.439 1.00 0.52 O ATOM 660 CB ARG A 42 -7.294 3.919 2.131 1.00 0.73 C ATOM 661 CG ARG A 42 -7.032 5.194 2.935 1.00 1.04 C ATOM 662 CD ARG A 42 -8.027 5.576 4.034 1.00 1.28 C ATOM 663 NE ARG A 42 -7.729 6.961 4.497 1.00 1.69 N ATOM 664 CZ ARG A 42 -8.023 7.596 5.669 1.00 2.19 C ATOM 665 NH1 ARG A 42 -8.718 6.923 6.633 1.00 2.34 N ATOM 666 NH2 ARG A 42 -7.782 8.930 5.819 1.00 2.78 N ATOM 0 H ARG A 42 -7.085 1.907 0.517 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.713 4.547 0.777 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -8.225 4.024 1.574 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.423 3.078 2.812 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.048 5.101 3.395 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -6.978 6.025 2.232 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.047 5.517 3.655 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.955 4.877 4.867 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.218 7.532 3.823 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.010 5.959 6.472 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -8.945 7.384 7.514 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -7.378 9.465 5.050 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -8.006 9.393 6.700 1.00 2.78 H new ATOM 680 N LEU A 43 -3.782 3.291 1.748 1.00 0.46 N ATOM 681 CA LEU A 43 -2.735 2.499 2.317 1.00 0.42 C ATOM 682 C LEU A 43 -2.420 3.122 3.633 1.00 0.43 C ATOM 683 O LEU A 43 -2.059 4.286 3.800 1.00 0.55 O ATOM 684 CB LEU A 43 -1.452 2.600 1.476 1.00 0.55 C ATOM 685 CG LEU A 43 -1.666 2.045 0.058 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.346 1.957 -0.728 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.267 0.631 0.117 1.00 1.12 C ATOM 0 H LEU A 43 -3.486 4.165 1.314 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.050 1.457 2.379 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.135 3.641 1.417 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.649 2.050 1.967 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.344 2.734 -0.445 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.541 1.560 -1.724 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.094 2.951 -0.813 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.346 1.298 -0.204 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.411 0.254 -0.896 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.589 -0.030 0.657 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.227 0.665 0.632 1.00 1.12 H new ATOM 699 N ILE A 44 -2.457 2.354 4.737 1.00 0.42 N ATOM 700 CA ILE A 44 -2.130 2.744 6.074 1.00 0.46 C ATOM 701 C ILE A 44 -0.811 2.080 6.274 1.00 0.42 C ATOM 702 O ILE A 44 -0.599 0.967 5.796 1.00 0.53 O ATOM 703 CB ILE A 44 -3.141 2.378 7.120 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.403 3.255 7.199 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.598 2.290 8.556 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.590 2.665 7.959 1.00 1.27 C ATOM 0 H ILE A 44 -2.741 1.375 4.688 1.00 0.42 H new ATOM 0 HA ILE A 44 -2.110 3.828 6.190 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.411 1.391 6.745 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.133 4.202 7.667 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.726 3.482 6.183 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.407 2.020 9.235 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.816 1.532 8.603 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.186 3.256 8.849 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.418 3.373 7.947 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.901 1.735 7.483 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.299 2.465 8.990 1.00 1.27 H new ATOM 718 N PHE A 45 0.093 2.774 6.988 1.00 0.42 N ATOM 719 CA PHE A 45 1.308 2.113 7.351 1.00 0.46 C ATOM 720 C PHE A 45 1.793 2.783 8.591 1.00 0.68 C ATOM 721 O PHE A 45 1.852 3.991 8.815 1.00 1.50 O ATOM 722 CB PHE A 45 2.252 2.397 6.170 1.00 0.56 C ATOM 723 CG PHE A 45 3.665 2.035 6.479 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.995 0.728 6.748 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.656 2.980 6.352 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.298 0.431 7.072 1.00 1.20 C ATOM 727 CE2 PHE A 45 5.953 2.660 6.678 1.00 1.33 C ATOM 728 CZ PHE A 45 6.289 1.383 7.065 1.00 1.02 C ATOM 0 H PHE A 45 -0.005 3.740 7.300 1.00 0.42 H new ATOM 0 HA PHE A 45 1.221 1.042 7.536 1.00 0.46 H new ATOM 0 HB2 PHE A 45 1.918 1.837 5.297 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.198 3.454 5.910 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.247 -0.049 6.706 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.416 3.971 5.997 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.551 -0.584 7.341 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.718 3.421 6.630 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.300 1.137 7.354 1.00 1.02 H new ATOM 738 N ALA A 46 2.169 1.902 9.536 1.00 0.81 N ATOM 739 CA ALA A 46 2.621 2.174 10.865 1.00 0.96 C ATOM 740 C ALA A 46 1.608 2.790 11.767 1.00 0.97 C ATOM 741 O ALA A 46 1.472 2.281 12.877 1.00 1.21 O ATOM 742 CB ALA A 46 3.859 3.078 10.985 1.00 1.20 C ATOM 0 H ALA A 46 2.154 0.900 9.347 1.00 0.81 H new ATOM 0 HA ALA A 46 2.861 1.156 11.174 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.109 3.214 12.037 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.700 2.614 10.469 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.647 4.047 10.534 1.00 1.20 H new ATOM 748 N GLY A 47 1.028 3.958 11.436 1.00 0.99 N ATOM 749 CA GLY A 47 0.146 4.674 12.305 1.00 1.10 C ATOM 750 C GLY A 47 -0.672 5.612 11.485 1.00 1.03 C ATOM 751 O GLY A 47 -1.738 6.051 11.914 1.00 1.30 O ATOM 0 H GLY A 47 1.177 4.418 10.538 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.500 3.980 12.843 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.717 5.224 13.053 1.00 1.10 H new ATOM 755 N LYS A 48 -0.309 5.978 10.243 1.00 0.98 N ATOM 756 CA LYS A 48 -1.117 6.896 9.502 1.00 1.05 C ATOM 757 C LYS A 48 -1.324 6.455 8.094 1.00 0.84 C ATOM 758 O LYS A 48 -0.582 5.586 7.640 1.00 0.81 O ATOM 759 CB LYS A 48 -0.515 8.311 9.521 1.00 1.42 C ATOM 760 CG LYS A 48 0.890 8.425 8.925 1.00 1.61 C ATOM 761 CD LYS A 48 1.586 9.728 9.318 1.00 1.87 C ATOM 762 CE LYS A 48 3.110 9.659 9.202 1.00 2.22 C ATOM 763 NZ LYS A 48 3.562 9.205 7.868 1.00 2.55 N ATOM 0 H LYS A 48 0.526 5.647 9.760 1.00 0.98 H new ATOM 0 HA LYS A 48 -2.089 6.917 9.995 1.00 1.05 H new ATOM 0 HB2 LYS A 48 -1.180 8.980 8.975 1.00 1.42 H new ATOM 0 HB3 LYS A 48 -0.485 8.663 10.552 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.492 7.580 9.258 1.00 1.61 H new ATOM 0 HG3 LYS A 48 0.827 8.363 7.839 1.00 1.61 H new ATOM 0 HD2 LYS A 48 1.217 10.534 8.685 1.00 1.87 H new ATOM 0 HD3 LYS A 48 1.318 9.980 10.344 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.531 10.643 9.408 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.498 8.981 9.962 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.599 9.257 7.817 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.257 8.223 7.714 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.148 9.815 7.135 1.00 2.55 H new ATOM 777 N GLN A 49 -2.320 7.025 7.392 1.00 0.84 N ATOM 778 CA GLN A 49 -2.514 6.846 5.988 1.00 0.80 C ATOM 779 C GLN A 49 -1.470 7.548 5.189 1.00 0.72 C ATOM 780 O GLN A 49 -0.978 8.572 5.661 1.00 0.83 O ATOM 781 CB GLN A 49 -3.920 7.289 5.550 1.00 1.03 C ATOM 782 CG GLN A 49 -4.238 8.762 5.820 1.00 1.67 C ATOM 783 CD GLN A 49 -4.713 9.037 7.239 1.00 1.92 C ATOM 784 OE1 GLN A 49 -4.793 8.176 8.112 1.00 2.24 O ATOM 785 NE2 GLN A 49 -4.823 10.367 7.502 1.00 2.48 N ATOM 0 H GLN A 49 -3.017 7.634 7.820 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.420 5.778 5.793 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.031 7.097 4.483 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.657 6.672 6.063 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.347 9.358 5.623 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -5.005 9.093 5.119 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.750 11.045 6.743 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -4.979 10.687 8.458 1.00 2.48 H new ATOM 794 N LEU A 50 -1.107 7.124 3.965 1.00 0.69 N ATOM 795 CA LEU A 50 -0.003 7.657 3.228 1.00 0.66 C ATOM 796 C LEU A 50 -0.374 8.682 2.213 1.00 0.72 C ATOM 797 O LEU A 50 -1.524 9.070 2.017 1.00 0.90 O ATOM 798 CB LEU A 50 0.808 6.486 2.646 1.00 0.65 C ATOM 799 CG LEU A 50 1.374 5.557 3.732 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.159 4.437 3.029 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.290 6.347 4.683 1.00 0.74 C ATOM 0 H LEU A 50 -1.601 6.382 3.470 1.00 0.69 H new ATOM 0 HA LEU A 50 0.623 8.222 3.918 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.173 5.908 1.975 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.629 6.880 2.047 1.00 0.65 H new ATOM 0 HG LEU A 50 0.567 5.131 4.329 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.574 3.760 3.775 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.491 3.884 2.369 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.969 4.872 2.444 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.685 5.678 5.448 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.116 6.779 4.118 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.719 7.145 5.158 1.00 0.74 H new ATOM 813 N GLU A 51 0.627 9.333 1.594 1.00 0.70 N ATOM 814 CA GLU A 51 0.455 10.320 0.574 1.00 0.76 C ATOM 815 C GLU A 51 0.788 9.755 -0.763 1.00 0.77 C ATOM 816 O GLU A 51 1.490 8.748 -0.855 1.00 1.23 O ATOM 817 CB GLU A 51 1.378 11.530 0.806 1.00 0.88 C ATOM 818 CG GLU A 51 1.336 12.586 -0.301 1.00 1.35 C ATOM 819 CD GLU A 51 0.015 13.319 -0.475 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.832 12.784 -1.240 1.00 1.89 O ATOM 821 OE2 GLU A 51 -0.157 14.457 0.041 1.00 1.94 O ATOM 0 H GLU A 51 1.607 9.161 1.817 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.588 10.634 0.611 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.106 12.002 1.750 1.00 0.88 H new ATOM 0 HB3 GLU A 51 2.403 11.174 0.911 1.00 0.88 H new ATOM 0 HG2 GLU A 51 2.114 13.323 -0.102 1.00 1.35 H new ATOM 0 HG3 GLU A 51 1.588 12.104 -1.245 1.00 1.35 H new ATOM 828 N ASP A 52 0.237 10.252 -1.884 1.00 0.66 N ATOM 829 CA ASP A 52 0.316 9.461 -3.073 1.00 0.65 C ATOM 830 C ASP A 52 1.573 9.798 -3.800 1.00 0.60 C ATOM 831 O ASP A 52 2.375 8.923 -4.120 1.00 0.62 O ATOM 832 CB ASP A 52 -0.946 9.619 -3.937 1.00 0.81 C ATOM 833 CG ASP A 52 -2.263 9.376 -3.213 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.494 8.243 -2.713 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.144 10.275 -3.168 1.00 1.56 O ATOM 0 H ASP A 52 -0.238 11.150 -1.970 1.00 0.66 H new ATOM 0 HA ASP A 52 0.355 8.404 -2.811 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.959 10.627 -4.352 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.880 8.929 -4.778 1.00 0.81 H new ATOM 840 N GLY A 53 1.784 11.104 -4.043 1.00 0.68 N ATOM 841 CA GLY A 53 3.021 11.605 -4.556 1.00 0.73 C ATOM 842 C GLY A 53 4.172 11.674 -3.613 1.00 0.72 C ATOM 843 O GLY A 53 4.942 12.633 -3.594 1.00 0.97 O ATOM 0 H GLY A 53 1.082 11.826 -3.880 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.314 10.981 -5.401 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.844 12.607 -4.946 1.00 0.73 H new ATOM 847 N ARG A 54 4.422 10.608 -2.831 1.00 0.64 N ATOM 848 CA ARG A 54 5.642 10.498 -2.090 1.00 0.63 C ATOM 849 C ARG A 54 6.219 9.164 -2.414 1.00 0.59 C ATOM 850 O ARG A 54 5.491 8.321 -2.937 1.00 0.62 O ATOM 851 CB ARG A 54 5.296 10.317 -0.602 1.00 0.69 C ATOM 852 CG ARG A 54 5.057 11.623 0.159 1.00 0.82 C ATOM 853 CD ARG A 54 6.370 12.386 0.342 1.00 1.18 C ATOM 854 NE ARG A 54 6.152 13.311 1.490 1.00 1.50 N ATOM 855 CZ ARG A 54 6.940 14.374 1.826 1.00 2.00 C ATOM 856 NH1 ARG A 54 7.965 14.741 1.003 1.00 2.48 N ATOM 857 NH2 ARG A 54 6.550 15.134 2.891 1.00 2.49 N ATOM 0 H ARG A 54 3.781 9.823 -2.712 1.00 0.64 H new ATOM 0 HA ARG A 54 6.276 11.359 -2.303 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.403 9.697 -0.523 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.106 9.772 -0.118 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.343 12.242 -0.385 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.616 11.408 1.132 1.00 0.82 H new ATOM 0 HD2 ARG A 54 7.194 11.702 0.544 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.629 12.939 -0.561 1.00 1.18 H new ATOM 0 HE ARG A 54 5.339 13.133 2.079 1.00 1.50 H new ATOM 0 HH11 ARG A 54 8.139 14.222 0.142 1.00 2.48 H new ATOM 0 HH12 ARG A 54 8.557 15.534 1.249 1.00 2.48 H new ATOM 0 HH21 ARG A 54 5.699 14.898 3.401 1.00 2.49 H new ATOM 0 HH22 ARG A 54 7.110 15.938 3.176 1.00 2.49 H new ATOM 871 N THR A 55 7.496 8.894 -2.091 1.00 0.63 N ATOM 872 CA THR A 55 8.155 7.660 -2.386 1.00 0.61 C ATOM 873 C THR A 55 8.231 6.694 -1.254 1.00 0.59 C ATOM 874 O THR A 55 7.946 7.052 -0.112 1.00 0.64 O ATOM 875 CB THR A 55 9.436 7.901 -3.128 1.00 0.68 C ATOM 876 OG1 THR A 55 10.392 8.471 -2.246 1.00 0.75 O ATOM 877 CG2 THR A 55 9.269 8.957 -4.234 1.00 0.76 C ATOM 0 H THR A 55 8.094 9.562 -1.605 1.00 0.63 H new ATOM 0 HA THR A 55 7.508 7.113 -3.072 1.00 0.61 H new ATOM 0 HB THR A 55 9.737 6.938 -3.540 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.249 9.439 -2.190 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.220 9.101 -4.746 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.519 8.619 -4.949 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.949 9.900 -3.791 1.00 0.76 H new ATOM 885 N LEU A 56 8.668 5.462 -1.572 1.00 0.58 N ATOM 886 CA LEU A 56 8.998 4.403 -0.671 1.00 0.59 C ATOM 887 C LEU A 56 10.150 4.851 0.161 1.00 0.64 C ATOM 888 O LEU A 56 10.223 4.462 1.325 1.00 0.70 O ATOM 889 CB LEU A 56 9.239 3.138 -1.512 1.00 0.60 C ATOM 890 CG LEU A 56 7.959 2.605 -2.176 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.285 1.877 -3.490 1.00 1.05 C ATOM 892 CD2 LEU A 56 7.182 1.745 -1.166 1.00 1.03 C ATOM 0 H LEU A 56 8.801 5.186 -2.545 1.00 0.58 H new ATOM 0 HA LEU A 56 8.204 4.154 0.032 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.978 3.356 -2.283 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.662 2.361 -0.876 1.00 0.60 H new ATOM 0 HG LEU A 56 7.309 3.433 -2.458 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.363 1.509 -3.941 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.774 2.568 -4.177 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.949 1.037 -3.286 1.00 1.05 H new ATOM 0 HD21 LEU A 56 6.274 1.366 -1.634 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.803 0.908 -0.847 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.918 2.351 -0.299 1.00 1.03 H new ATOM 904 N SER A 57 11.107 5.541 -0.486 1.00 0.68 N ATOM 905 CA SER A 57 12.317 6.113 0.017 1.00 0.75 C ATOM 906 C SER A 57 12.025 7.213 0.979 1.00 0.76 C ATOM 907 O SER A 57 12.645 7.250 2.040 1.00 0.84 O ATOM 908 CB SER A 57 13.288 6.566 -1.087 1.00 0.84 C ATOM 909 OG SER A 57 13.969 5.433 -1.607 1.00 1.19 O ATOM 0 H SER A 57 11.016 5.717 -1.487 1.00 0.68 H new ATOM 0 HA SER A 57 12.835 5.316 0.551 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.742 7.073 -1.882 1.00 0.84 H new ATOM 0 HB3 SER A 57 14.004 7.283 -0.686 1.00 0.84 H new ATOM 0 HG SER A 57 13.473 5.076 -2.373 1.00 1.19 H new ATOM 915 N ASP A 58 11.142 8.173 0.649 1.00 0.75 N ATOM 916 CA ASP A 58 10.714 9.209 1.537 1.00 0.78 C ATOM 917 C ASP A 58 10.210 8.721 2.853 1.00 0.77 C ATOM 918 O ASP A 58 10.576 9.183 3.932 1.00 0.86 O ATOM 919 CB ASP A 58 9.615 10.088 0.918 1.00 0.83 C ATOM 920 CG ASP A 58 10.158 10.850 -0.283 1.00 1.23 C ATOM 921 OD1 ASP A 58 11.223 11.518 -0.196 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.498 10.631 -1.333 1.00 1.86 O ATOM 0 H ASP A 58 10.709 8.229 -0.273 1.00 0.75 H new ATOM 0 HA ASP A 58 11.622 9.787 1.707 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.773 9.467 0.612 1.00 0.83 H new ATOM 0 HB3 ASP A 58 9.240 10.790 1.663 1.00 0.83 H new ATOM 927 N TYR A 59 9.422 7.631 2.834 1.00 0.72 N ATOM 928 CA TYR A 59 8.943 6.979 4.013 1.00 0.73 C ATOM 929 C TYR A 59 9.920 6.033 4.624 1.00 0.76 C ATOM 930 O TYR A 59 9.713 5.484 5.705 1.00 0.89 O ATOM 931 CB TYR A 59 7.651 6.211 3.686 1.00 0.73 C ATOM 932 CG TYR A 59 6.535 7.168 3.446 1.00 0.67 C ATOM 933 CD1 TYR A 59 6.140 7.959 4.498 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.854 7.172 2.251 1.00 0.67 C ATOM 935 CE1 TYR A 59 5.045 8.768 4.301 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.791 8.026 2.075 1.00 0.70 C ATOM 937 CZ TYR A 59 4.356 8.816 3.113 1.00 0.74 C ATOM 938 OH TYR A 59 3.258 9.664 2.853 1.00 0.86 O ATOM 0 H TYR A 59 9.108 7.189 1.970 1.00 0.72 H new ATOM 0 HA TYR A 59 8.768 7.769 4.744 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.802 5.588 2.805 1.00 0.73 H new ATOM 0 HB3 TYR A 59 7.397 5.543 4.509 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.667 7.946 5.440 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.153 6.507 1.454 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.712 9.393 5.116 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.295 8.077 1.117 1.00 0.70 H new ATOM 0 HH TYR A 59 3.348 10.486 3.379 1.00 0.86 H new ATOM 948 N ASN A 60 11.048 5.790 3.935 1.00 0.74 N ATOM 949 CA ASN A 60 12.169 4.961 4.254 1.00 0.79 C ATOM 950 C ASN A 60 11.777 3.547 4.519 1.00 0.75 C ATOM 951 O ASN A 60 12.246 2.874 5.435 1.00 0.86 O ATOM 952 CB ASN A 60 12.915 5.696 5.379 1.00 0.95 C ATOM 953 CG ASN A 60 14.258 5.062 5.715 1.00 1.25 C ATOM 954 OD1 ASN A 60 15.194 4.849 4.947 1.00 1.84 O ATOM 955 ND2 ASN A 60 14.433 4.761 7.029 1.00 1.83 N ATOM 0 H ASN A 60 11.188 6.239 3.030 1.00 0.74 H new ATOM 0 HA ASN A 60 12.854 4.827 3.416 1.00 0.79 H new ATOM 0 HB2 ASN A 60 13.073 6.734 5.085 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.292 5.709 6.273 1.00 0.95 H new ATOM 0 HD21 ASN A 60 15.320 4.372 7.349 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.678 4.925 7.695 1.00 1.83 H new ATOM 962 N ILE A 61 10.884 3.096 3.619 1.00 0.67 N ATOM 963 CA ILE A 61 10.387 1.756 3.628 1.00 0.65 C ATOM 964 C ILE A 61 11.370 0.764 3.106 1.00 0.66 C ATOM 965 O ILE A 61 11.810 0.783 1.957 1.00 0.75 O ATOM 966 CB ILE A 61 9.136 1.745 2.799 1.00 0.63 C ATOM 967 CG1 ILE A 61 8.097 2.738 3.348 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.537 0.330 2.747 1.00 0.72 C ATOM 969 CD1 ILE A 61 7.006 3.009 2.312 1.00 0.82 C ATOM 0 H ILE A 61 10.500 3.674 2.871 1.00 0.67 H new ATOM 0 HA ILE A 61 10.190 1.456 4.657 1.00 0.65 H new ATOM 0 HB ILE A 61 9.403 2.054 1.788 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.650 2.338 4.258 1.00 0.70 H new ATOM 0 HG13 ILE A 61 8.588 3.673 3.619 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.631 0.341 2.142 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.260 -0.355 2.305 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.295 0.000 3.757 1.00 0.72 H new ATOM 0 HD11 ILE A 61 6.282 3.714 2.722 1.00 0.82 H new ATOM 0 HD12 ILE A 61 7.455 3.431 1.413 1.00 0.82 H new ATOM 0 HD13 ILE A 61 6.502 2.076 2.062 1.00 0.82 H new ATOM 981 N GLN A 62 11.892 -0.070 4.021 1.00 0.67 N ATOM 982 CA GLN A 62 12.909 -1.044 3.765 1.00 0.70 C ATOM 983 C GLN A 62 12.249 -2.258 3.208 1.00 0.62 C ATOM 984 O GLN A 62 11.022 -2.321 3.154 1.00 0.64 O ATOM 985 CB GLN A 62 13.819 -1.381 4.958 1.00 0.85 C ATOM 986 CG GLN A 62 12.986 -1.640 6.214 1.00 1.27 C ATOM 987 CD GLN A 62 13.847 -2.188 7.344 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.767 -3.386 7.615 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.660 -1.390 8.085 1.00 2.16 N ATOM 0 H GLN A 62 11.588 -0.065 4.995 1.00 0.67 H new ATOM 0 HA GLN A 62 13.603 -0.607 3.047 1.00 0.70 H new ATOM 0 HB2 GLN A 62 14.421 -2.260 4.726 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.512 -0.559 5.138 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.508 -0.714 6.534 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.189 -2.347 5.985 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.734 -0.396 7.869 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.197 -1.785 8.857 1.00 2.16 H new ATOM 998 N LYS A 63 13.032 -3.316 2.931 1.00 0.64 N ATOM 999 CA LYS A 63 12.563 -4.592 2.491 1.00 0.62 C ATOM 1000 C LYS A 63 11.774 -5.270 3.558 1.00 0.59 C ATOM 1001 O LYS A 63 11.982 -5.010 4.742 1.00 0.66 O ATOM 1002 CB LYS A 63 13.714 -5.482 1.991 1.00 0.74 C ATOM 1003 CG LYS A 63 14.671 -6.094 3.016 1.00 0.89 C ATOM 1004 CD LYS A 63 15.716 -6.984 2.338 1.00 1.11 C ATOM 1005 CE LYS A 63 16.642 -7.706 3.317 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.922 -8.152 2.720 1.00 2.12 N ATOM 0 H LYS A 63 14.047 -3.278 3.019 1.00 0.64 H new ATOM 0 HA LYS A 63 11.900 -4.422 1.643 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.275 -6.300 1.420 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.310 -4.891 1.295 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.171 -5.299 3.570 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.105 -6.680 3.740 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.205 -7.725 1.723 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.319 -6.373 1.666 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.856 -7.043 4.155 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.120 -8.573 3.722 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.494 -8.632 3.444 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.730 -8.810 1.938 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.442 -7.327 2.358 1.00 2.12 H new ATOM 1020 N GLU A 64 10.779 -6.100 3.197 1.00 0.57 N ATOM 1021 CA GLU A 64 10.003 -7.035 3.951 1.00 0.58 C ATOM 1022 C GLU A 64 9.127 -6.257 4.872 1.00 0.56 C ATOM 1023 O GLU A 64 8.846 -6.748 5.964 1.00 0.70 O ATOM 1024 CB GLU A 64 10.869 -8.021 4.756 1.00 0.72 C ATOM 1025 CG GLU A 64 11.289 -9.169 3.837 1.00 0.96 C ATOM 1026 CD GLU A 64 12.272 -10.198 4.375 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.460 -9.799 4.505 1.00 1.69 O ATOM 1028 OE2 GLU A 64 11.822 -11.315 4.746 1.00 1.71 O ATOM 0 H GLU A 64 10.478 -6.111 2.223 1.00 0.57 H new ATOM 0 HA GLU A 64 9.419 -7.640 3.258 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.748 -7.514 5.153 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.310 -8.405 5.609 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.386 -9.699 3.532 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.723 -8.733 2.937 1.00 0.96 H new ATOM 1035 N SER A 65 8.624 -5.060 4.520 1.00 0.51 N ATOM 1036 CA SER A 65 7.833 -4.251 5.393 1.00 0.51 C ATOM 1037 C SER A 65 6.375 -4.447 5.156 1.00 0.43 C ATOM 1038 O SER A 65 5.987 -4.650 4.007 1.00 0.50 O ATOM 1039 CB SER A 65 8.174 -2.766 5.180 1.00 0.65 C ATOM 1040 OG SER A 65 9.505 -2.385 5.494 1.00 1.04 O ATOM 0 H SER A 65 8.772 -4.643 3.601 1.00 0.51 H new ATOM 0 HA SER A 65 8.062 -4.552 6.415 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.981 -2.515 4.137 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.493 -2.166 5.784 1.00 0.65 H new ATOM 0 HG SER A 65 10.041 -2.363 4.674 1.00 1.04 H new ATOM 1046 N THR A 66 5.518 -4.507 6.192 1.00 0.45 N ATOM 1047 CA THR A 66 4.106 -4.705 6.087 1.00 0.45 C ATOM 1048 C THR A 66 3.376 -3.412 6.214 1.00 0.43 C ATOM 1049 O THR A 66 3.251 -2.812 7.280 1.00 0.58 O ATOM 1050 CB THR A 66 3.460 -5.697 7.010 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.233 -6.882 7.123 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.008 -6.052 6.646 1.00 0.78 C ATOM 0 H THR A 66 5.830 -4.412 7.158 1.00 0.45 H new ATOM 0 HA THR A 66 4.019 -5.148 5.095 1.00 0.45 H new ATOM 0 HB THR A 66 3.421 -5.191 7.975 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.787 -7.507 7.732 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.619 -6.774 7.364 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.396 -5.150 6.670 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.979 -6.483 5.645 1.00 0.78 H new ATOM 1060 N LEU A 67 2.715 -3.089 5.088 1.00 0.38 N ATOM 1061 CA LEU A 67 1.810 -1.997 4.910 1.00 0.38 C ATOM 1062 C LEU A 67 0.442 -2.585 4.904 1.00 0.37 C ATOM 1063 O LEU A 67 0.297 -3.765 4.586 1.00 0.50 O ATOM 1064 CB LEU A 67 2.092 -1.219 3.612 1.00 0.46 C ATOM 1065 CG LEU A 67 3.505 -0.690 3.319 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.451 -1.709 2.662 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.498 0.624 2.518 1.00 1.31 C ATOM 0 H LEU A 67 2.824 -3.637 4.235 1.00 0.38 H new ATOM 0 HA LEU A 67 1.924 -1.270 5.714 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.810 -1.865 2.780 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.417 -0.364 3.595 1.00 0.46 H new ATOM 0 HG LEU A 67 3.910 -0.490 4.311 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.424 -1.247 2.493 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.568 -2.572 3.318 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.033 -2.032 1.709 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.524 0.948 2.342 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.998 0.465 1.562 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.967 1.391 3.082 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.611 -1.821 5.249 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.002 -2.148 5.305 1.00 0.37 C ATOM 1081 C HIS A 68 -2.805 -1.535 4.210 1.00 0.35 C ATOM 1082 O HIS A 68 -2.866 -0.321 4.023 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.628 -1.563 6.582 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.180 -2.079 7.917 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.016 -1.777 8.594 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.896 -2.835 8.793 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -1.136 -2.265 9.857 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -2.211 -3.021 9.977 1.00 1.51 N ATOM 0 H HIS A 68 -0.462 -0.850 5.523 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.030 -3.236 5.245 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.453 -0.487 6.570 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.706 -1.712 6.517 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.877 -3.239 8.588 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.442 -2.061 10.658 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -2.476 -3.610 10.767 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.526 -2.321 3.391 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.358 -1.927 2.296 1.00 0.38 C ATOM 1098 C LEU A 69 -5.759 -1.985 2.801 1.00 0.41 C ATOM 1099 O LEU A 69 -6.220 -3.092 3.075 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.247 -2.870 1.086 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.304 -2.813 -0.028 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.084 -1.487 -0.775 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.107 -3.973 -1.020 1.00 1.14 C ATOM 0 H LEU A 69 -3.524 -3.334 3.510 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.052 -0.937 1.957 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.277 -2.691 0.623 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.234 -3.890 1.469 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.306 -2.888 0.395 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.813 -1.398 -1.580 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.205 -0.655 -0.082 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.078 -1.468 -1.193 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.865 -3.916 -1.802 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.116 -3.903 -1.469 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.200 -4.922 -0.493 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.295 -0.792 3.113 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.683 -0.723 3.449 1.00 0.56 C ATOM 1117 C VAL A 70 -8.330 0.026 2.336 1.00 0.55 C ATOM 1118 O VAL A 70 -7.695 0.386 1.345 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.925 -0.192 4.830 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.090 -0.957 5.871 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.530 1.293 4.905 1.00 0.97 C ATOM 0 H VAL A 70 -5.791 0.094 3.133 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.140 -1.710 3.524 1.00 0.56 H new ATOM 0 HB VAL A 70 -8.986 -0.318 5.046 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.285 -0.551 6.864 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -7.362 -2.012 5.851 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.031 -0.850 5.637 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.710 1.667 5.913 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.473 1.401 4.662 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -8.126 1.864 4.194 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.647 0.265 2.476 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.362 0.906 1.417 1.00 0.84 C ATOM 1133 C LEU A 71 -11.119 2.066 1.965 1.00 0.85 C ATOM 1134 O LEU A 71 -11.107 2.337 3.165 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.524 -0.021 1.022 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.073 -1.489 0.926 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.305 -2.359 0.624 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.049 -1.687 -0.204 1.00 2.78 C ATOM 0 H LEU A 71 -10.203 0.023 3.296 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.654 1.158 0.627 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.325 0.066 1.756 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.934 0.297 0.063 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.608 -1.771 1.870 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -12.004 -3.404 0.552 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -13.035 -2.246 1.425 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.750 -2.044 -0.320 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.751 -2.735 -0.245 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.497 -1.400 -1.155 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.173 -1.067 -0.014 1.00 2.78 H new