USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 0 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 33 GLN : amide:sc= 0.836 K(o=2.5,f=-5.1!) USER MOD Set 1.2: A 87 ASN : amide:sc= 1.71 K(o=2.5,f=-6.2) USER MOD Set 2.1: A 79 TYR OH : rot 180:sc= 0.615 USER MOD Set 2.2: A 83 GLN :FLIP amide:sc= 1 F(o=-0.13,f=1.6) USER MOD Set 3.1: A 53 GLN : amide:sc= 1.91 K(o=4.2,f=-11!) USER MOD Set 3.2: A 58 LYS NZ :NH3+ 170:sc= 2.25 (180deg=0.983) USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= 0.841 (180deg=0.143) USER MOD Single : A 14 ASN : amide:sc= 1.03 K(o=1,f=0.0084) USER MOD Single : A 15 CYS SG : rot -170:sc= -1.16 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.013) USER MOD Single : A 24 ASN : amide:sc= 1.76 K(o=1.8,f=-9.9!) USER MOD Single : A 25 ASN : amide:sc= 0.877 K(o=0.88,f=-0.033) USER MOD Single : A 30 HIS : no HD1:sc= -0.67 K(o=-0.67,f=-1.4) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0467 USER MOD Single : A 34 LYS NZ :NH3+ -111:sc= 0.791 (180deg=-3.41!) USER MOD Single : A 39 GLN : amide:sc= -0.0659 X(o=-0.066,f=-0.066) USER MOD Single : A 46 ASN : amide:sc= 2 K(o=2,f=-5.7!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.713 X(o=0.71,f=0.92) USER MOD Single : A 61 MET CE :methyl 180:sc= -0.0301 (180deg=-0.0301) USER MOD Single : A 81 TYR OH : rot 5:sc= 1.09 USER MOD Single : A 88 LYS NZ :NH3+ -164:sc= 1.82 (180deg=0.287) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 4 5.326 -11.847 3.486 1.00 0.00 N ATOM 24 CA LEU A 4 5.439 -10.572 4.162 1.00 0.00 C ATOM 25 C LEU A 4 6.868 -10.039 4.052 1.00 0.00 C ATOM 26 O LEU A 4 7.055 -8.827 4.052 1.00 0.00 O ATOM 27 CB LEU A 4 5.004 -10.714 5.629 1.00 0.00 C ATOM 28 CG LEU A 4 3.589 -11.298 5.800 1.00 0.00 C ATOM 29 CD1 LEU A 4 3.120 -11.124 7.246 1.00 0.00 C ATOM 30 CD2 LEU A 4 2.546 -10.592 4.936 1.00 0.00 C ATOM 0 HA LEU A 4 4.777 -9.851 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.717 -11.353 6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.044 -9.735 6.107 1.00 0.00 H new ATOM 0 HG LEU A 4 3.667 -12.345 5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.119 -11.540 7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.805 -11.644 7.916 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.102 -10.064 7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.569 -11.047 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.504 -9.537 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.819 -10.687 3.885 1.00 0.00 H new ATOM 31 N ALA A 5 7.878 -10.910 3.963 1.00 0.00 N ATOM 32 CA ALA A 5 9.273 -10.485 3.914 1.00 0.00 C ATOM 33 C ALA A 5 9.590 -9.793 2.589 1.00 0.00 C ATOM 34 O ALA A 5 10.117 -8.684 2.599 1.00 0.00 O ATOM 35 CB ALA A 5 10.197 -11.681 4.170 1.00 0.00 C ATOM 0 H ALA A 5 7.749 -11.921 3.923 1.00 0.00 H new ATOM 0 HA ALA A 5 9.446 -9.753 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 5 11.236 -11.353 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.985 -12.100 5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 5 10.028 -12.441 3.407 1.00 0.00 H new ATOM 36 N LEU A 6 9.258 -10.409 1.451 1.00 0.00 N ATOM 37 CA LEU A 6 9.361 -9.805 0.138 1.00 0.00 C ATOM 38 C LEU A 6 8.622 -8.468 0.153 1.00 0.00 C ATOM 39 O LEU A 6 9.204 -7.419 -0.123 1.00 0.00 O ATOM 40 CB LEU A 6 8.754 -10.782 -0.883 1.00 0.00 C ATOM 41 CG LEU A 6 8.716 -10.209 -2.302 1.00 0.00 C ATOM 42 CD1 LEU A 6 10.095 -10.245 -2.970 1.00 0.00 C ATOM 43 CD2 LEU A 6 7.698 -10.961 -3.162 1.00 0.00 C ATOM 0 H LEU A 6 8.902 -11.365 1.427 1.00 0.00 H new ATOM 0 HA LEU A 6 10.398 -9.612 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.333 -11.705 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.742 -11.041 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 6 8.412 -9.166 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.023 -9.829 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.799 -9.655 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.445 -11.276 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.687 -10.538 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.974 -12.014 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.707 -10.867 -2.718 1.00 0.00 H new ATOM 44 N GLY A 7 7.329 -8.506 0.482 1.00 0.00 N ATOM 45 CA GLY A 7 6.498 -7.317 0.502 1.00 0.00 C ATOM 46 C GLY A 7 7.121 -6.226 1.369 1.00 0.00 C ATOM 47 O GLY A 7 7.196 -5.073 0.953 1.00 0.00 O ATOM 0 H GLY A 7 6.837 -9.362 0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.364 -6.946 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.508 -7.568 0.883 1.00 0.00 H new ATOM 48 N LYS A 8 7.619 -6.578 2.555 1.00 0.00 N ATOM 49 CA LYS A 8 8.344 -5.652 3.395 1.00 0.00 C ATOM 50 C LYS A 8 9.556 -5.085 2.655 1.00 0.00 C ATOM 51 O LYS A 8 9.710 -3.875 2.583 1.00 0.00 O ATOM 52 CB LYS A 8 8.746 -6.321 4.714 1.00 0.00 C ATOM 53 CG LYS A 8 9.511 -5.289 5.537 1.00 0.00 C ATOM 54 CD LYS A 8 9.821 -5.769 6.955 1.00 0.00 C ATOM 55 CE LYS A 8 10.136 -4.606 7.911 1.00 0.00 C ATOM 56 NZ LYS A 8 10.799 -3.455 7.264 1.00 0.00 N ATOM 0 H LYS A 8 7.526 -7.513 2.951 1.00 0.00 H new ATOM 0 HA LYS A 8 7.689 -4.815 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.864 -6.665 5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.366 -7.198 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.444 -5.046 5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.928 -4.369 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.970 -6.332 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.669 -6.453 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.208 -4.266 8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.773 -4.974 8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.189 -2.824 7.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.569 -3.796 6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.107 -2.933 6.689 1.00 0.00 H new ATOM 57 N ALA A 9 10.435 -5.938 2.138 1.00 0.00 N ATOM 58 CA ALA A 9 11.632 -5.516 1.416 1.00 0.00 C ATOM 59 C ALA A 9 11.292 -4.482 0.338 1.00 0.00 C ATOM 60 O ALA A 9 11.949 -3.448 0.228 1.00 0.00 O ATOM 61 CB ALA A 9 12.344 -6.735 0.818 1.00 0.00 C ATOM 0 H ALA A 9 10.336 -6.951 2.209 1.00 0.00 H new ATOM 0 HA ALA A 9 12.311 -5.035 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.235 -6.409 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.631 -7.417 1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.672 -7.247 0.128 1.00 0.00 H new ATOM 62 N VAL A 10 10.241 -4.742 -0.444 1.00 0.00 N ATOM 63 CA VAL A 10 9.739 -3.795 -1.421 1.00 0.00 C ATOM 64 C VAL A 10 9.306 -2.510 -0.713 1.00 0.00 C ATOM 65 O VAL A 10 9.743 -1.421 -1.091 1.00 0.00 O ATOM 66 CB VAL A 10 8.585 -4.442 -2.201 1.00 0.00 C ATOM 67 CG1 VAL A 10 7.992 -3.469 -3.220 1.00 0.00 C ATOM 68 CG2 VAL A 10 9.049 -5.692 -2.955 1.00 0.00 C ATOM 0 H VAL A 10 9.719 -5.618 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 10 10.520 -3.529 -2.134 1.00 0.00 H new ATOM 0 HB VAL A 10 7.830 -4.716 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.177 -3.956 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.611 -2.588 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.764 -3.168 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.207 -6.124 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.833 -5.421 -3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.437 -6.422 -2.245 1.00 0.00 H new ATOM 69 N PHE A 11 8.445 -2.639 0.300 1.00 0.00 N ATOM 70 CA PHE A 11 7.887 -1.535 1.067 1.00 0.00 C ATOM 71 C PHE A 11 8.972 -0.579 1.552 1.00 0.00 C ATOM 72 O PHE A 11 8.973 0.610 1.227 1.00 0.00 O ATOM 73 CB PHE A 11 7.077 -2.082 2.247 1.00 0.00 C ATOM 74 CG PHE A 11 6.311 -1.021 2.996 1.00 0.00 C ATOM 75 CD1 PHE A 11 5.056 -0.610 2.518 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.877 -0.396 4.123 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.391 0.462 3.129 1.00 0.00 C ATOM 78 CE2 PHE A 11 6.186 0.650 4.761 1.00 0.00 C ATOM 79 CZ PHE A 11 4.949 1.086 4.259 1.00 0.00 C ATOM 0 H PHE A 11 8.109 -3.549 0.615 1.00 0.00 H new ATOM 0 HA PHE A 11 7.227 -0.965 0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.377 -2.833 1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.752 -2.587 2.938 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.604 -1.120 1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.838 -0.718 4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.449 0.809 2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.607 1.118 5.638 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.427 1.900 4.740 1.00 0.00 H new ATOM 80 N ASP A 12 9.906 -1.130 2.323 1.00 0.00 N ATOM 81 CA ASP A 12 11.071 -0.479 2.874 1.00 0.00 C ATOM 82 C ASP A 12 11.785 0.373 1.819 1.00 0.00 C ATOM 83 O ASP A 12 12.240 1.472 2.128 1.00 0.00 O ATOM 84 CB ASP A 12 12.008 -1.565 3.425 1.00 0.00 C ATOM 85 CG ASP A 12 11.510 -2.295 4.668 1.00 0.00 C ATOM 86 OD1 ASP A 12 10.356 -2.086 5.111 1.00 0.00 O ATOM 87 OD2 ASP A 12 12.292 -3.090 5.237 1.00 0.00 O ATOM 0 H ASP A 12 9.857 -2.112 2.593 1.00 0.00 H new ATOM 0 HA ASP A 12 10.769 0.197 3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.184 -2.300 2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.970 -1.107 3.655 1.00 0.00 H new ATOM 88 N GLY A 13 11.897 -0.121 0.581 1.00 0.00 N ATOM 89 CA GLY A 13 12.603 0.584 -0.474 1.00 0.00 C ATOM 90 C GLY A 13 11.719 1.645 -1.122 1.00 0.00 C ATOM 91 O GLY A 13 12.150 2.774 -1.341 1.00 0.00 O ATOM 0 H GLY A 13 11.501 -1.015 0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.497 1.054 -0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.934 -0.127 -1.230 1.00 0.00 H new ATOM 92 N ASN A 14 10.497 1.255 -1.494 1.00 0.00 N ATOM 93 CA ASN A 14 9.693 1.974 -2.476 1.00 0.00 C ATOM 94 C ASN A 14 8.635 2.866 -1.833 1.00 0.00 C ATOM 95 O ASN A 14 8.245 3.880 -2.409 1.00 0.00 O ATOM 96 CB ASN A 14 9.000 0.981 -3.418 1.00 0.00 C ATOM 97 CG ASN A 14 9.989 0.213 -4.286 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.287 0.621 -5.404 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.500 -0.906 -3.785 1.00 0.00 N ATOM 0 H ASN A 14 10.038 0.426 -1.118 1.00 0.00 H new ATOM 0 HA ASN A 14 10.378 2.615 -3.031 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.414 0.275 -2.829 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.301 1.520 -4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.162 -1.455 -4.334 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.230 -1.217 -2.852 1.00 0.00 H new ATOM 100 N CYS A 15 8.113 2.442 -0.683 1.00 0.00 N ATOM 101 CA CYS A 15 6.834 2.893 -0.151 1.00 0.00 C ATOM 102 C CYS A 15 7.069 3.699 1.123 1.00 0.00 C ATOM 103 O CYS A 15 6.524 4.793 1.291 1.00 0.00 O ATOM 104 CB CYS A 15 5.965 1.693 0.131 1.00 0.00 C ATOM 105 SG CYS A 15 5.841 0.514 -1.254 1.00 0.00 S ATOM 0 H CYS A 15 8.580 1.761 -0.085 1.00 0.00 H new ATOM 0 HA CYS A 15 6.330 3.531 -0.877 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.359 1.171 1.003 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.964 2.037 0.391 1.00 0.00 H new ATOM 0 HG CYS A 15 4.918 -0.364 -0.995 1.00 0.00 H new ATOM 106 N ALA A 16 7.921 3.169 2.010 1.00 0.00 N ATOM 107 CA ALA A 16 8.306 3.800 3.267 1.00 0.00 C ATOM 108 C ALA A 16 8.729 5.260 3.074 1.00 0.00 C ATOM 109 O ALA A 16 8.497 6.089 3.950 1.00 0.00 O ATOM 110 CB ALA A 16 9.431 2.996 3.919 1.00 0.00 C ATOM 0 H ALA A 16 8.370 2.265 1.864 1.00 0.00 H new ATOM 0 HA ALA A 16 7.434 3.807 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.718 3.468 4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.087 1.980 4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.291 2.966 3.250 1.00 0.00 H new ATOM 111 N ALA A 17 9.319 5.568 1.913 1.00 0.00 N ATOM 112 CA ALA A 17 9.620 6.923 1.465 1.00 0.00 C ATOM 113 C ALA A 17 8.505 7.915 1.816 1.00 0.00 C ATOM 114 O ALA A 17 8.793 9.010 2.295 1.00 0.00 O ATOM 115 CB ALA A 17 9.859 6.905 -0.048 1.00 0.00 C ATOM 0 H ALA A 17 9.607 4.855 1.242 1.00 0.00 H new ATOM 0 HA ALA A 17 10.516 7.261 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.085 7.914 -0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.698 6.247 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.965 6.541 -0.553 1.00 0.00 H new ATOM 116 N CYS A 18 7.247 7.534 1.571 1.00 0.00 N ATOM 117 CA CYS A 18 6.077 8.352 1.878 1.00 0.00 C ATOM 118 C CYS A 18 5.327 7.800 3.088 1.00 0.00 C ATOM 119 O CYS A 18 4.720 8.579 3.820 1.00 0.00 O ATOM 120 CB CYS A 18 5.165 8.437 0.683 1.00 0.00 C ATOM 121 SG CYS A 18 5.964 9.405 -0.625 1.00 0.00 S ATOM 0 H CYS A 18 7.013 6.636 1.148 1.00 0.00 H new ATOM 0 HA CYS A 18 6.420 9.357 2.124 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.933 7.436 0.318 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.220 8.900 0.966 1.00 0.00 H new ATOM 0 HG CYS A 18 5.176 9.475 -1.656 1.00 0.00 H new ATOM 122 N HIS A 19 5.335 6.477 3.286 1.00 0.00 N ATOM 123 CA HIS A 19 4.512 5.793 4.278 1.00 0.00 C ATOM 124 C HIS A 19 5.321 5.157 5.409 1.00 0.00 C ATOM 125 O HIS A 19 4.881 4.148 5.950 1.00 0.00 O ATOM 126 CB HIS A 19 3.683 4.721 3.567 1.00 0.00 C ATOM 127 CG HIS A 19 2.747 5.272 2.534 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.600 5.984 2.799 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.759 4.971 1.201 1.00 0.00 C ATOM 130 CE1 HIS A 19 0.929 6.097 1.642 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.590 5.491 0.641 1.00 0.00 N ATOM 0 H HIS A 19 5.927 5.844 2.748 1.00 0.00 H new ATOM 0 HA HIS A 19 3.874 6.542 4.746 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.357 4.009 3.091 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.107 4.168 4.309 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.532 4.429 0.676 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.016 6.607 1.530 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.296 5.424 -0.334 1.00 0.00 H new ATOM 132 N ALA A 20 6.475 5.722 5.785 1.00 0.00 N ATOM 133 CA ALA A 20 7.298 5.273 6.910 1.00 0.00 C ATOM 134 C ALA A 20 6.455 4.677 8.049 1.00 0.00 C ATOM 135 O ALA A 20 5.546 5.329 8.564 1.00 0.00 O ATOM 136 CB ALA A 20 8.147 6.442 7.413 1.00 0.00 C ATOM 0 H ALA A 20 6.871 6.527 5.300 1.00 0.00 H new ATOM 0 HA ALA A 20 7.949 4.473 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.761 6.112 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.791 6.797 6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.494 7.252 7.739 1.00 0.00 H new ATOM 137 N GLY A 21 6.704 3.409 8.393 1.00 0.00 N ATOM 138 CA GLY A 21 5.764 2.618 9.171 1.00 0.00 C ATOM 139 C GLY A 21 4.535 2.342 8.303 1.00 0.00 C ATOM 140 O GLY A 21 4.586 1.478 7.434 1.00 0.00 O ATOM 0 H GLY A 21 7.558 2.912 8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.225 1.682 9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.477 3.152 10.077 1.00 0.00 H new ATOM 141 N GLY A 22 3.464 3.114 8.507 1.00 0.00 N ATOM 142 CA GLY A 22 2.337 3.228 7.583 1.00 0.00 C ATOM 143 C GLY A 22 1.918 4.695 7.465 1.00 0.00 C ATOM 144 O GLY A 22 0.747 5.002 7.225 1.00 0.00 O ATOM 0 H GLY A 22 3.356 3.691 9.341 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.615 2.839 6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.500 2.627 7.938 1.00 0.00 H new ATOM 145 N GLY A 23 2.875 5.601 7.690 1.00 0.00 N ATOM 146 CA GLY A 23 2.644 6.998 7.998 1.00 0.00 C ATOM 147 C GLY A 23 2.705 7.863 6.754 1.00 0.00 C ATOM 148 O GLY A 23 3.767 8.378 6.425 1.00 0.00 O ATOM 0 H GLY A 23 3.866 5.363 7.659 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.669 7.110 8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.389 7.340 8.716 1.00 0.00 H new ATOM 149 N ASN A 24 1.568 8.022 6.076 1.00 0.00 N ATOM 150 CA ASN A 24 1.428 8.914 4.930 1.00 0.00 C ATOM 151 C ASN A 24 2.001 10.304 5.232 1.00 0.00 C ATOM 152 O ASN A 24 1.415 11.057 6.002 1.00 0.00 O ATOM 153 CB ASN A 24 -0.039 9.017 4.547 1.00 0.00 C ATOM 154 CG ASN A 24 -0.179 9.621 3.154 1.00 0.00 C ATOM 155 OD1 ASN A 24 0.525 10.555 2.771 1.00 0.00 O ATOM 156 ND2 ASN A 24 -1.051 9.018 2.364 1.00 0.00 N ATOM 0 H ASN A 24 0.708 7.527 6.312 1.00 0.00 H new ATOM 0 HA ASN A 24 1.994 8.500 4.096 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.499 8.029 4.571 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.570 9.633 5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.159 9.324 1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.615 8.247 2.722 1.00 0.00 H new ATOM 157 N ASN A 25 3.134 10.653 4.626 1.00 0.00 N ATOM 158 CA ASN A 25 3.795 11.938 4.837 1.00 0.00 C ATOM 159 C ASN A 25 3.128 13.054 4.030 1.00 0.00 C ATOM 160 O ASN A 25 3.283 14.225 4.367 1.00 0.00 O ATOM 161 CB ASN A 25 5.284 11.844 4.473 1.00 0.00 C ATOM 162 CG ASN A 25 6.141 11.254 5.590 1.00 0.00 C ATOM 163 OD1 ASN A 25 6.996 11.938 6.143 1.00 0.00 O ATOM 164 ND2 ASN A 25 5.939 9.989 5.943 1.00 0.00 N ATOM 0 H ASN A 25 3.623 10.046 3.969 1.00 0.00 H new ATOM 0 HA ASN A 25 3.701 12.184 5.895 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.394 11.232 3.578 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.655 12.839 4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.500 9.571 6.685 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.223 9.436 5.471 1.00 0.00 H new ATOM 165 N VAL A 26 2.421 12.715 2.950 1.00 0.00 N ATOM 166 CA VAL A 26 1.883 13.696 2.017 1.00 0.00 C ATOM 167 C VAL A 26 0.521 14.182 2.521 1.00 0.00 C ATOM 168 O VAL A 26 0.288 15.385 2.620 1.00 0.00 O ATOM 169 CB VAL A 26 1.796 13.054 0.626 1.00 0.00 C ATOM 170 CG1 VAL A 26 1.206 14.002 -0.427 1.00 0.00 C ATOM 171 CG2 VAL A 26 3.172 12.579 0.140 1.00 0.00 C ATOM 0 H VAL A 26 2.207 11.749 2.701 1.00 0.00 H new ATOM 0 HA VAL A 26 2.533 14.568 1.946 1.00 0.00 H new ATOM 0 HB VAL A 26 1.128 12.200 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.168 13.496 -1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.199 14.294 -0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.832 14.891 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.074 12.129 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.852 13.429 0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.569 11.841 0.837 1.00 0.00 H new ATOM 172 N ILE A 27 -0.376 13.242 2.828 1.00 0.00 N ATOM 173 CA ILE A 27 -1.693 13.491 3.400 1.00 0.00 C ATOM 174 C ILE A 27 -1.702 12.816 4.781 1.00 0.00 C ATOM 175 O ILE A 27 -1.987 11.621 4.856 1.00 0.00 O ATOM 176 CB ILE A 27 -2.792 12.954 2.458 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.621 13.530 1.039 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.174 13.313 3.024 1.00 0.00 C ATOM 179 CD1 ILE A 27 -3.761 13.148 0.089 1.00 0.00 C ATOM 0 H ILE A 27 -0.194 12.250 2.678 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.900 14.555 3.516 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.705 11.869 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.557 14.616 1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.677 13.178 0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.949 12.934 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.291 12.864 4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.264 14.396 3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.579 13.586 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.811 12.063 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.705 13.523 0.484 1.00 0.00 H new ATOM 180 N PRO A 28 -1.345 13.547 5.855 1.00 0.00 N ATOM 181 CA PRO A 28 -1.051 13.017 7.184 1.00 0.00 C ATOM 182 C PRO A 28 -1.952 11.886 7.680 1.00 0.00 C ATOM 183 O PRO A 28 -1.462 10.904 8.232 1.00 0.00 O ATOM 184 CB PRO A 28 -1.108 14.230 8.115 1.00 0.00 C ATOM 185 CG PRO A 28 -0.547 15.334 7.227 1.00 0.00 C ATOM 186 CD PRO A 28 -1.114 14.986 5.850 1.00 0.00 C ATOM 0 HA PRO A 28 -0.077 12.528 7.157 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.125 14.446 8.442 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.508 14.084 9.013 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.868 16.321 7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.543 15.337 7.226 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.041 15.528 5.663 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.416 15.265 5.060 1.00 0.00 H new ATOM 187 N ASP A 29 -3.267 12.045 7.530 1.00 0.00 N ATOM 188 CA ASP A 29 -4.291 11.157 8.054 1.00 0.00 C ATOM 189 C ASP A 29 -4.587 9.984 7.115 1.00 0.00 C ATOM 190 O ASP A 29 -5.174 8.991 7.544 1.00 0.00 O ATOM 191 CB ASP A 29 -5.560 11.983 8.308 1.00 0.00 C ATOM 192 CG ASP A 29 -6.072 12.661 7.042 1.00 0.00 C ATOM 193 OD1 ASP A 29 -5.248 13.364 6.411 1.00 0.00 O ATOM 194 OD2 ASP A 29 -7.267 12.474 6.738 1.00 0.00 O ATOM 0 H ASP A 29 -3.659 12.834 7.016 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.929 10.717 8.983 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.338 11.335 8.710 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.353 12.740 9.065 1.00 0.00 H new ATOM 195 N HIS A 30 -4.169 10.045 5.848 1.00 0.00 N ATOM 196 CA HIS A 30 -4.490 9.027 4.852 1.00 0.00 C ATOM 197 C HIS A 30 -3.464 7.885 4.950 1.00 0.00 C ATOM 198 O HIS A 30 -2.809 7.520 3.971 1.00 0.00 O ATOM 199 CB HIS A 30 -4.571 9.733 3.491 1.00 0.00 C ATOM 200 CG HIS A 30 -5.343 9.025 2.405 1.00 0.00 C ATOM 201 ND1 HIS A 30 -5.280 7.689 2.101 1.00 0.00 N ATOM 202 CD2 HIS A 30 -6.129 9.621 1.453 1.00 0.00 C ATOM 203 CE1 HIS A 30 -5.982 7.495 0.971 1.00 0.00 C ATOM 204 NE2 HIS A 30 -6.503 8.648 0.527 1.00 0.00 N ATOM 0 H HIS A 30 -3.596 10.807 5.485 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.455 8.547 5.015 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.020 10.714 3.643 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.555 9.899 3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.410 10.663 1.425 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.109 6.539 0.486 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.060 8.785 -0.317 1.00 0.00 H new ATOM 205 N THR A 31 -3.297 7.370 6.174 1.00 0.00 N ATOM 206 CA THR A 31 -2.298 6.391 6.587 1.00 0.00 C ATOM 207 C THR A 31 -2.682 4.990 6.124 1.00 0.00 C ATOM 208 O THR A 31 -3.852 4.730 5.870 1.00 0.00 O ATOM 209 CB THR A 31 -2.235 6.406 8.121 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.542 6.298 8.652 1.00 0.00 O ATOM 211 CG2 THR A 31 -1.631 7.707 8.646 1.00 0.00 C ATOM 0 H THR A 31 -3.898 7.648 6.950 1.00 0.00 H new ATOM 0 HA THR A 31 -1.335 6.647 6.144 1.00 0.00 H new ATOM 0 HB THR A 31 -1.611 5.567 8.428 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.499 6.306 9.631 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.603 7.681 9.735 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.618 7.820 8.259 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.241 8.549 8.319 1.00 0.00 H new ATOM 212 N LEU A 32 -1.751 4.034 6.144 1.00 0.00 N ATOM 213 CA LEU A 32 -2.045 2.655 5.750 1.00 0.00 C ATOM 214 C LEU A 32 -2.826 1.879 6.829 1.00 0.00 C ATOM 215 O LEU A 32 -2.633 0.675 6.994 1.00 0.00 O ATOM 216 CB LEU A 32 -0.739 1.934 5.395 1.00 0.00 C ATOM 217 CG LEU A 32 0.154 2.685 4.395 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.306 1.774 3.977 1.00 0.00 C ATOM 219 CD2 LEU A 32 -0.602 3.096 3.131 1.00 0.00 C ATOM 0 H LEU A 32 -0.784 4.190 6.430 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.693 2.693 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.173 1.763 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.981 0.955 4.982 1.00 0.00 H new ATOM 0 HG LEU A 32 0.509 3.588 4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.945 2.299 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.889 1.498 4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.907 0.874 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.074 3.623 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.989 2.207 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.430 3.751 3.399 1.00 0.00 H new ATOM 220 N GLN A 33 -3.712 2.544 7.572 1.00 0.00 N ATOM 221 CA GLN A 33 -4.519 1.924 8.611 1.00 0.00 C ATOM 222 C GLN A 33 -5.719 1.243 7.968 1.00 0.00 C ATOM 223 O GLN A 33 -6.260 1.762 6.994 1.00 0.00 O ATOM 224 CB GLN A 33 -5.000 2.988 9.616 1.00 0.00 C ATOM 225 CG GLN A 33 -4.341 2.823 10.988 1.00 0.00 C ATOM 226 CD GLN A 33 -4.689 1.497 11.665 1.00 0.00 C ATOM 227 OE1 GLN A 33 -5.511 0.727 11.171 1.00 0.00 O ATOM 228 NE2 GLN A 33 -4.050 1.212 12.793 1.00 0.00 N ATOM 0 H GLN A 33 -3.888 3.543 7.463 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.918 1.187 9.144 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.779 3.981 9.225 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.083 2.921 9.724 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.259 2.894 10.876 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.649 3.646 11.634 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.374 1.872 13.177 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.235 0.333 13.276 1.00 0.00 H new ATOM 229 N LYS A 34 -6.189 0.137 8.556 1.00 0.00 N ATOM 230 CA LYS A 34 -7.414 -0.515 8.138 1.00 0.00 C ATOM 231 C LYS A 34 -8.512 0.532 7.991 1.00 0.00 C ATOM 232 O LYS A 34 -9.045 0.743 6.909 1.00 0.00 O ATOM 233 CB LYS A 34 -7.797 -1.566 9.177 1.00 0.00 C ATOM 234 CG LYS A 34 -9.070 -2.276 8.717 1.00 0.00 C ATOM 235 CD LYS A 34 -9.451 -3.327 9.747 1.00 0.00 C ATOM 236 CE LYS A 34 -10.685 -4.122 9.286 1.00 0.00 C ATOM 237 NZ LYS A 34 -11.898 -3.285 9.129 1.00 0.00 N ATOM 0 H LYS A 34 -5.722 -0.325 9.336 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.275 -1.009 7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.988 -2.286 9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.957 -1.096 10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.880 -1.556 8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.911 -2.742 7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.614 -4.007 9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.659 -2.847 10.703 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.462 -4.607 8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.889 -4.913 10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.588 -3.532 9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.641 -2.281 9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.317 -3.454 8.192 1.00 0.00 H new ATOM 238 N ALA A 35 -8.800 1.213 9.097 1.00 0.00 N ATOM 239 CA ALA A 35 -9.809 2.259 9.166 1.00 0.00 C ATOM 240 C ALA A 35 -9.658 3.279 8.032 1.00 0.00 C ATOM 241 O ALA A 35 -10.648 3.710 7.444 1.00 0.00 O ATOM 242 CB ALA A 35 -9.703 2.956 10.526 1.00 0.00 C ATOM 0 H ALA A 35 -8.328 1.048 9.986 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.791 1.801 9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.454 3.743 10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.869 2.229 11.321 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.710 3.392 10.635 1.00 0.00 H new ATOM 243 N ALA A 36 -8.415 3.673 7.738 1.00 0.00 N ATOM 244 CA ALA A 36 -8.116 4.779 6.840 1.00 0.00 C ATOM 245 C ALA A 36 -8.317 4.323 5.401 1.00 0.00 C ATOM 246 O ALA A 36 -8.956 5.019 4.616 1.00 0.00 O ATOM 247 CB ALA A 36 -6.688 5.264 7.085 1.00 0.00 C ATOM 0 H ALA A 36 -7.584 3.225 8.124 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.789 5.615 7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.465 6.092 6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.590 5.599 8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.990 4.448 6.900 1.00 0.00 H new ATOM 248 N ILE A 37 -7.873 3.099 5.105 1.00 0.00 N ATOM 249 CA ILE A 37 -8.293 2.410 3.901 1.00 0.00 C ATOM 250 C ILE A 37 -9.813 2.435 3.809 1.00 0.00 C ATOM 251 O ILE A 37 -10.359 2.863 2.796 1.00 0.00 O ATOM 252 CB ILE A 37 -7.700 0.990 3.872 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.333 0.993 3.190 1.00 0.00 C ATOM 254 CG2 ILE A 37 -8.603 0.002 3.133 1.00 0.00 C ATOM 255 CD1 ILE A 37 -5.309 0.138 3.941 1.00 0.00 C ATOM 0 H ILE A 37 -7.223 2.572 5.688 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.912 2.918 3.015 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.608 0.673 4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.437 0.621 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.967 2.017 3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.143 -0.986 3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.572 -0.046 3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.739 0.333 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.353 0.172 3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.183 0.525 4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.661 -0.893 3.989 1.00 0.00 H new ATOM 256 N GLU A 38 -10.510 1.975 4.844 1.00 0.00 N ATOM 257 CA GLU A 38 -11.940 1.812 4.749 1.00 0.00 C ATOM 258 C GLU A 38 -12.662 3.138 4.490 1.00 0.00 C ATOM 259 O GLU A 38 -13.665 3.144 3.780 1.00 0.00 O ATOM 260 CB GLU A 38 -12.457 1.047 5.973 1.00 0.00 C ATOM 261 CG GLU A 38 -11.936 -0.394 5.868 1.00 0.00 C ATOM 262 CD GLU A 38 -12.312 -1.296 7.032 1.00 0.00 C ATOM 263 OE1 GLU A 38 -12.149 -0.878 8.201 1.00 0.00 O ATOM 264 OE2 GLU A 38 -12.629 -2.482 6.792 1.00 0.00 O ATOM 0 H GLU A 38 -10.106 1.714 5.743 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.171 1.207 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.108 1.515 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.547 1.060 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.316 -0.836 4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.850 -0.367 5.784 1.00 0.00 H new ATOM 265 N GLN A 39 -12.166 4.260 5.027 1.00 0.00 N ATOM 266 CA GLN A 39 -12.656 5.564 4.619 1.00 0.00 C ATOM 267 C GLN A 39 -12.277 5.887 3.167 1.00 0.00 C ATOM 268 O GLN A 39 -13.149 6.172 2.349 1.00 0.00 O ATOM 269 CB GLN A 39 -12.115 6.650 5.556 1.00 0.00 C ATOM 270 CG GLN A 39 -12.450 6.462 7.040 1.00 0.00 C ATOM 271 CD GLN A 39 -13.884 6.011 7.295 1.00 0.00 C ATOM 272 OE1 GLN A 39 -14.803 6.822 7.345 1.00 0.00 O ATOM 273 NE2 GLN A 39 -14.084 4.709 7.474 1.00 0.00 N ATOM 0 H GLN A 39 -11.434 4.282 5.737 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.744 5.540 4.681 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.031 6.693 5.448 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.506 7.614 5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.767 5.728 7.467 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.276 7.402 7.564 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.298 4.061 7.426 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.024 4.358 7.659 1.00 0.00 H new ATOM 274 N PHE A 40 -10.976 5.939 2.867 1.00 0.00 N ATOM 275 CA PHE A 40 -10.466 6.631 1.690 1.00 0.00 C ATOM 276 C PHE A 40 -10.391 5.737 0.449 1.00 0.00 C ATOM 277 O PHE A 40 -10.657 6.207 -0.656 1.00 0.00 O ATOM 278 CB PHE A 40 -9.105 7.265 2.012 1.00 0.00 C ATOM 279 CG PHE A 40 -9.107 8.208 3.202 1.00 0.00 C ATOM 280 CD1 PHE A 40 -9.916 9.360 3.181 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.244 7.984 4.292 1.00 0.00 C ATOM 282 CE1 PHE A 40 -9.879 10.270 4.252 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.232 8.877 5.378 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.038 10.026 5.351 1.00 0.00 C ATOM 0 H PHE A 40 -10.251 5.502 3.436 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.178 7.417 1.438 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.384 6.469 2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.757 7.811 1.135 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.567 9.545 2.339 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.590 7.125 4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.496 11.156 4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.603 8.679 6.233 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.012 10.723 6.176 1.00 0.00 H new ATOM 285 N LEU A 41 -9.999 4.469 0.594 1.00 0.00 N ATOM 286 CA LEU A 41 -9.841 3.558 -0.523 1.00 0.00 C ATOM 287 C LEU A 41 -11.180 3.293 -1.215 1.00 0.00 C ATOM 288 O LEU A 41 -11.989 2.523 -0.703 1.00 0.00 O ATOM 289 CB LEU A 41 -9.225 2.237 -0.030 1.00 0.00 C ATOM 290 CG LEU A 41 -8.196 1.630 -0.989 1.00 0.00 C ATOM 291 CD1 LEU A 41 -8.647 1.591 -2.448 1.00 0.00 C ATOM 292 CD2 LEU A 41 -6.898 2.424 -0.855 1.00 0.00 C ATOM 0 H LEU A 41 -9.783 4.051 1.499 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.175 4.019 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.749 2.409 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.025 1.514 0.133 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.059 0.586 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.862 1.147 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.554 0.993 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.847 2.605 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.148 2.011 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.081 3.467 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.537 2.361 0.172 1.00 0.00 H new ATOM 293 N ASP A 42 -11.372 3.871 -2.405 1.00 0.00 N ATOM 294 CA ASP A 42 -12.440 3.544 -3.348 1.00 0.00 C ATOM 295 C ASP A 42 -12.880 2.074 -3.260 1.00 0.00 C ATOM 296 O ASP A 42 -14.031 1.781 -2.944 1.00 0.00 O ATOM 297 CB ASP A 42 -12.015 3.936 -4.778 1.00 0.00 C ATOM 298 CG ASP A 42 -10.564 3.616 -5.124 1.00 0.00 C ATOM 299 OD1 ASP A 42 -10.182 2.427 -5.092 1.00 0.00 O ATOM 300 OD2 ASP A 42 -9.812 4.579 -5.391 1.00 0.00 O ATOM 0 H ASP A 42 -10.760 4.611 -2.750 1.00 0.00 H new ATOM 0 HA ASP A 42 -13.319 4.128 -3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.665 3.424 -5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.178 5.006 -4.910 1.00 0.00 H new ATOM 301 N GLY A 43 -11.964 1.149 -3.539 1.00 0.00 N ATOM 302 CA GLY A 43 -12.228 -0.281 -3.527 1.00 0.00 C ATOM 303 C GLY A 43 -12.485 -0.897 -2.139 1.00 0.00 C ATOM 304 O GLY A 43 -13.058 -1.985 -2.076 1.00 0.00 O ATOM 0 H GLY A 43 -11.001 1.381 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.094 -0.478 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.380 -0.793 -3.981 1.00 0.00 H new ATOM 305 N GLY A 44 -12.071 -0.268 -1.031 1.00 0.00 N ATOM 306 CA GLY A 44 -12.322 -0.764 0.316 1.00 0.00 C ATOM 307 C GLY A 44 -11.227 -1.710 0.815 1.00 0.00 C ATOM 308 O GLY A 44 -10.201 -1.911 0.169 1.00 0.00 O ATOM 0 H GLY A 44 -11.548 0.607 -1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.405 0.081 1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.280 -1.283 0.334 1.00 0.00 H new ATOM 309 N PHE A 45 -11.435 -2.280 2.007 1.00 0.00 N ATOM 310 CA PHE A 45 -10.440 -3.128 2.669 1.00 0.00 C ATOM 311 C PHE A 45 -10.349 -4.514 2.025 1.00 0.00 C ATOM 312 O PHE A 45 -10.766 -5.511 2.618 1.00 0.00 O ATOM 313 CB PHE A 45 -10.659 -3.223 4.186 1.00 0.00 C ATOM 314 CG PHE A 45 -9.458 -3.751 4.955 1.00 0.00 C ATOM 315 CD1 PHE A 45 -8.337 -2.921 5.138 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.422 -5.074 5.430 1.00 0.00 C ATOM 317 CE1 PHE A 45 -7.137 -3.447 5.640 1.00 0.00 C ATOM 318 CE2 PHE A 45 -8.238 -5.585 5.994 1.00 0.00 C ATOM 319 CZ PHE A 45 -7.082 -4.786 6.047 1.00 0.00 C ATOM 0 H PHE A 45 -12.298 -2.166 2.539 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.478 -2.637 2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.915 -2.235 4.568 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.514 -3.871 4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.401 -1.872 4.890 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.302 -5.697 5.362 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.259 -2.822 5.712 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.217 -6.591 6.386 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.152 -5.205 6.402 1.00 0.00 H new ATOM 320 N ASN A 46 -9.755 -4.602 0.835 1.00 0.00 N ATOM 321 CA ASN A 46 -9.510 -5.878 0.159 1.00 0.00 C ATOM 322 C ASN A 46 -8.223 -5.821 -0.652 1.00 0.00 C ATOM 323 O ASN A 46 -7.779 -4.746 -1.054 1.00 0.00 O ATOM 324 CB ASN A 46 -10.694 -6.309 -0.713 1.00 0.00 C ATOM 325 CG ASN A 46 -11.205 -5.194 -1.611 1.00 0.00 C ATOM 326 OD1 ASN A 46 -10.672 -4.966 -2.688 1.00 0.00 O ATOM 327 ND2 ASN A 46 -12.225 -4.473 -1.154 1.00 0.00 N ATOM 0 H ASN A 46 -9.429 -3.790 0.311 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.396 -6.637 0.933 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.395 -7.157 -1.329 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.505 -6.652 -0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.590 -3.698 -1.707 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.642 -4.695 -0.250 1.00 0.00 H new ATOM 328 N ILE A 47 -7.610 -6.988 -0.867 1.00 0.00 N ATOM 329 CA ILE A 47 -6.363 -7.125 -1.592 1.00 0.00 C ATOM 330 C ILE A 47 -6.514 -6.462 -2.956 1.00 0.00 C ATOM 331 O ILE A 47 -5.637 -5.713 -3.366 1.00 0.00 O ATOM 332 CB ILE A 47 -6.015 -8.620 -1.709 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.643 -9.247 -0.352 1.00 0.00 C ATOM 334 CG2 ILE A 47 -4.902 -8.853 -2.732 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.231 -8.889 0.121 1.00 0.00 C ATOM 0 H ILE A 47 -7.982 -7.877 -0.531 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.545 -6.632 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.918 -9.120 -2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.363 -8.921 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.729 -10.331 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.679 -9.918 -2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.225 -8.495 -3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.007 -8.312 -2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.038 -9.365 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.503 -9.239 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.146 -7.808 0.228 1.00 0.00 H new ATOM 336 N GLU A 48 -7.631 -6.722 -3.635 1.00 0.00 N ATOM 337 CA GLU A 48 -7.918 -6.196 -4.961 1.00 0.00 C ATOM 338 C GLU A 48 -7.705 -4.684 -4.969 1.00 0.00 C ATOM 339 O GLU A 48 -6.858 -4.161 -5.688 1.00 0.00 O ATOM 340 CB GLU A 48 -9.343 -6.546 -5.397 1.00 0.00 C ATOM 341 CG GLU A 48 -9.769 -8.002 -5.188 1.00 0.00 C ATOM 342 CD GLU A 48 -10.231 -8.335 -3.771 1.00 0.00 C ATOM 343 OE1 GLU A 48 -9.347 -8.644 -2.942 1.00 0.00 O ATOM 344 OE2 GLU A 48 -11.452 -8.239 -3.526 1.00 0.00 O ATOM 0 H GLU A 48 -8.374 -7.317 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.235 -6.656 -5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.036 -5.904 -4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.448 -6.306 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.577 -8.233 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.932 -8.652 -5.445 1.00 0.00 H new ATOM 345 N ALA A 49 -8.473 -4.002 -4.125 1.00 0.00 N ATOM 346 CA ALA A 49 -8.386 -2.570 -3.882 1.00 0.00 C ATOM 347 C ALA A 49 -6.954 -2.114 -3.590 1.00 0.00 C ATOM 348 O ALA A 49 -6.479 -1.148 -4.190 1.00 0.00 O ATOM 349 CB ALA A 49 -9.302 -2.203 -2.719 1.00 0.00 C ATOM 0 H ALA A 49 -9.201 -4.452 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.703 -2.056 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.241 -1.131 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.329 -2.470 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.991 -2.745 -1.826 1.00 0.00 H new ATOM 350 N ILE A 50 -6.254 -2.777 -2.662 1.00 0.00 N ATOM 351 CA ILE A 50 -4.884 -2.407 -2.360 1.00 0.00 C ATOM 352 C ILE A 50 -4.034 -2.492 -3.633 1.00 0.00 C ATOM 353 O ILE A 50 -3.414 -1.505 -4.026 1.00 0.00 O ATOM 354 CB ILE A 50 -4.327 -3.274 -1.218 1.00 0.00 C ATOM 355 CG1 ILE A 50 -5.066 -3.111 0.124 1.00 0.00 C ATOM 356 CG2 ILE A 50 -2.846 -2.959 -1.021 1.00 0.00 C ATOM 357 CD1 ILE A 50 -5.283 -1.670 0.590 1.00 0.00 C ATOM 0 H ILE A 50 -6.615 -3.561 -2.119 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.851 -1.375 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.479 -4.310 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.038 -3.598 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.506 -3.642 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.448 -3.572 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.303 -3.175 -1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.729 -1.905 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.811 -1.672 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.318 -1.177 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.874 -1.133 -0.152 1.00 0.00 H new ATOM 358 N VAL A 51 -3.994 -3.655 -4.286 1.00 0.00 N ATOM 359 CA VAL A 51 -3.197 -3.862 -5.473 1.00 0.00 C ATOM 360 C VAL A 51 -3.531 -2.773 -6.497 1.00 0.00 C ATOM 361 O VAL A 51 -2.638 -2.098 -6.995 1.00 0.00 O ATOM 362 CB VAL A 51 -3.450 -5.276 -6.025 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.647 -5.440 -7.305 1.00 0.00 C ATOM 364 CG2 VAL A 51 -2.979 -6.390 -5.081 1.00 0.00 C ATOM 0 H VAL A 51 -4.521 -4.478 -3.995 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.135 -3.789 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.527 -5.367 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.812 -6.437 -7.713 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.965 -4.693 -8.032 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.587 -5.308 -7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.187 -7.361 -5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.907 -6.292 -4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.508 -6.310 -4.131 1.00 0.00 H new ATOM 365 N TYR A 52 -4.822 -2.563 -6.755 1.00 0.00 N ATOM 366 CA TYR A 52 -5.339 -1.519 -7.627 1.00 0.00 C ATOM 367 C TYR A 52 -4.749 -0.147 -7.265 1.00 0.00 C ATOM 368 O TYR A 52 -4.294 0.579 -8.146 1.00 0.00 O ATOM 369 CB TYR A 52 -6.872 -1.553 -7.547 1.00 0.00 C ATOM 370 CG TYR A 52 -7.607 -0.561 -8.421 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.888 -0.885 -9.760 1.00 0.00 C ATOM 372 CD2 TYR A 52 -8.149 0.609 -7.855 1.00 0.00 C ATOM 373 CE1 TYR A 52 -8.628 0.004 -10.559 1.00 0.00 C ATOM 374 CE2 TYR A 52 -8.933 1.472 -8.640 1.00 0.00 C ATOM 375 CZ TYR A 52 -9.144 1.186 -9.999 1.00 0.00 C ATOM 376 OH TYR A 52 -9.916 2.019 -10.753 1.00 0.00 O ATOM 0 H TYR A 52 -5.559 -3.138 -6.346 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.037 -1.697 -8.659 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.207 -2.556 -7.811 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.165 -1.381 -6.511 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.535 -1.818 -10.175 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.962 0.843 -6.817 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.800 -0.221 -11.601 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.373 2.354 -8.199 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.191 2.789 -10.212 1.00 0.00 H new ATOM 377 N GLN A 53 -4.714 0.211 -5.976 1.00 0.00 N ATOM 378 CA GLN A 53 -4.098 1.462 -5.544 1.00 0.00 C ATOM 379 C GLN A 53 -2.628 1.475 -5.955 1.00 0.00 C ATOM 380 O GLN A 53 -2.158 2.445 -6.539 1.00 0.00 O ATOM 381 CB GLN A 53 -4.257 1.659 -4.027 1.00 0.00 C ATOM 382 CG GLN A 53 -3.519 2.904 -3.502 1.00 0.00 C ATOM 383 CD GLN A 53 -4.182 4.224 -3.874 1.00 0.00 C ATOM 384 OE1 GLN A 53 -5.362 4.260 -4.229 1.00 0.00 O ATOM 385 NE2 GLN A 53 -3.414 5.306 -3.796 1.00 0.00 N ATOM 0 H GLN A 53 -5.105 -0.349 -5.219 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.604 2.295 -6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.317 1.743 -3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.882 0.776 -3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.447 2.839 -2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.500 2.900 -3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.443 5.221 -3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.796 6.221 -4.036 1.00 0.00 H new ATOM 386 N ILE A 54 -1.890 0.418 -5.618 1.00 0.00 N ATOM 387 CA ILE A 54 -0.470 0.336 -5.929 1.00 0.00 C ATOM 388 C ILE A 54 -0.248 0.463 -7.442 1.00 0.00 C ATOM 389 O ILE A 54 0.587 1.256 -7.874 1.00 0.00 O ATOM 390 CB ILE A 54 0.132 -0.944 -5.314 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.543 -0.728 -3.846 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.400 -1.395 -6.053 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.645 -0.631 -2.893 1.00 0.00 C ATOM 0 H ILE A 54 -2.258 -0.396 -5.127 1.00 0.00 H new ATOM 0 HA ILE A 54 0.063 1.172 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.651 -1.698 -5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.186 -1.550 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.134 0.185 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.791 -2.300 -5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.160 -1.599 -7.096 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.151 -0.607 -6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.284 -0.479 -1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.277 0.209 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.224 -1.553 -2.938 1.00 0.00 H new ATOM 394 N GLU A 55 -0.994 -0.291 -8.251 1.00 0.00 N ATOM 395 CA GLU A 55 -0.952 -0.206 -9.689 1.00 0.00 C ATOM 396 C GLU A 55 -1.190 1.239 -10.114 1.00 0.00 C ATOM 397 O GLU A 55 -0.255 1.895 -10.566 1.00 0.00 O ATOM 398 CB GLU A 55 -2.024 -1.123 -10.265 1.00 0.00 C ATOM 399 CG GLU A 55 -1.684 -2.614 -10.217 1.00 0.00 C ATOM 400 CD GLU A 55 -2.843 -3.450 -10.756 1.00 0.00 C ATOM 401 OE1 GLU A 55 -3.872 -2.838 -11.124 1.00 0.00 O ATOM 402 OE2 GLU A 55 -2.675 -4.686 -10.794 1.00 0.00 O ATOM 0 H GLU A 55 -1.654 -0.988 -7.905 1.00 0.00 H new ATOM 0 HA GLU A 55 0.022 -0.520 -10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.954 -0.959 -9.721 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.207 -0.839 -11.301 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.786 -2.806 -10.805 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.463 -2.909 -9.191 1.00 0.00 H new ATOM 403 N ASN A 56 -2.427 1.725 -9.970 1.00 0.00 N ATOM 404 CA ASN A 56 -2.889 2.994 -10.492 1.00 0.00 C ATOM 405 C ASN A 56 -3.091 4.006 -9.365 1.00 0.00 C ATOM 406 O ASN A 56 -4.193 4.506 -9.160 1.00 0.00 O ATOM 407 CB ASN A 56 -4.139 2.774 -11.355 1.00 0.00 C ATOM 408 CG ASN A 56 -5.250 1.958 -10.699 1.00 0.00 C ATOM 409 OD1 ASN A 56 -6.150 2.494 -10.058 1.00 0.00 O ATOM 410 ND2 ASN A 56 -5.220 0.643 -10.892 1.00 0.00 N ATOM 0 H ASN A 56 -3.154 1.218 -9.466 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.128 3.427 -11.141 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.543 3.747 -11.635 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.840 2.275 -12.277 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.956 0.054 -10.504 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.461 0.223 -11.429 1.00 0.00 H new ATOM 411 N GLY A 57 -1.994 4.323 -8.672 1.00 0.00 N ATOM 412 CA GLY A 57 -1.821 5.457 -7.765 1.00 0.00 C ATOM 413 C GLY A 57 -2.716 6.653 -8.098 1.00 0.00 C ATOM 414 O GLY A 57 -2.851 7.016 -9.267 1.00 0.00 O ATOM 0 H GLY A 57 -1.148 3.756 -8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.030 5.131 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.779 5.776 -7.791 1.00 0.00 H new ATOM 415 N LYS A 58 -3.342 7.244 -7.077 1.00 0.00 N ATOM 416 CA LYS A 58 -4.373 8.266 -7.247 1.00 0.00 C ATOM 417 C LYS A 58 -3.790 9.640 -6.882 1.00 0.00 C ATOM 418 O LYS A 58 -2.573 9.815 -6.877 1.00 0.00 O ATOM 419 CB LYS A 58 -5.646 7.943 -6.434 1.00 0.00 C ATOM 420 CG LYS A 58 -5.961 6.454 -6.258 1.00 0.00 C ATOM 421 CD LYS A 58 -6.639 5.816 -7.474 1.00 0.00 C ATOM 422 CE LYS A 58 -6.789 4.291 -7.321 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.383 3.893 -6.025 1.00 0.00 N ATOM 0 H LYS A 58 -3.144 7.023 -6.101 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.682 8.283 -8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.549 8.394 -5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.497 8.421 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.035 5.919 -6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.605 6.329 -5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.622 6.264 -7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.057 6.034 -8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.411 3.910 -8.131 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.810 3.823 -7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.615 2.879 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.703 4.077 -5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.250 4.443 -5.857 1.00 0.00 H new ATOM 424 N GLY A 59 -4.678 10.594 -6.569 1.00 0.00 N ATOM 425 CA GLY A 59 -4.417 11.897 -5.965 1.00 0.00 C ATOM 426 C GLY A 59 -2.994 12.428 -6.109 1.00 0.00 C ATOM 427 O GLY A 59 -2.704 13.197 -7.025 1.00 0.00 O ATOM 0 H GLY A 59 -5.673 10.459 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.101 12.623 -6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.656 11.837 -4.903 1.00 0.00 H new ATOM 428 N ALA A 60 -2.133 12.056 -5.164 1.00 0.00 N ATOM 429 CA ALA A 60 -0.740 12.476 -5.105 1.00 0.00 C ATOM 430 C ALA A 60 0.191 11.279 -4.895 1.00 0.00 C ATOM 431 O ALA A 60 1.302 11.441 -4.388 1.00 0.00 O ATOM 432 CB ALA A 60 -0.584 13.524 -3.997 1.00 0.00 C ATOM 0 H ALA A 60 -2.396 11.436 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.454 12.925 -6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.456 13.846 -3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.219 14.383 -4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.879 13.090 -3.042 1.00 0.00 H new ATOM 433 N MET A 61 -0.251 10.076 -5.266 1.00 0.00 N ATOM 434 CA MET A 61 0.519 8.851 -5.142 1.00 0.00 C ATOM 435 C MET A 61 1.027 8.445 -6.526 1.00 0.00 C ATOM 436 O MET A 61 0.216 8.284 -7.437 1.00 0.00 O ATOM 437 CB MET A 61 -0.377 7.760 -4.550 1.00 0.00 C ATOM 438 CG MET A 61 0.280 6.381 -4.611 1.00 0.00 C ATOM 439 SD MET A 61 -0.147 5.208 -3.305 1.00 0.00 S ATOM 440 CE MET A 61 0.233 3.644 -4.116 1.00 0.00 C ATOM 0 H MET A 61 -1.176 9.930 -5.670 1.00 0.00 H new ATOM 0 HA MET A 61 1.374 8.998 -4.483 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.609 8.005 -3.514 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.323 7.735 -5.091 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.026 5.928 -5.569 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.361 6.520 -4.600 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.021 2.820 -3.435 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.379 3.541 -5.012 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.287 3.624 -4.392 1.00 0.00 H new ATOM 441 N PRO A 62 2.340 8.237 -6.719 1.00 0.00 N ATOM 442 CA PRO A 62 2.838 7.693 -7.964 1.00 0.00 C ATOM 443 C PRO A 62 2.288 6.279 -8.141 1.00 0.00 C ATOM 444 O PRO A 62 2.345 5.450 -7.234 1.00 0.00 O ATOM 445 CB PRO A 62 4.364 7.709 -7.861 1.00 0.00 C ATOM 446 CG PRO A 62 4.600 7.612 -6.357 1.00 0.00 C ATOM 447 CD PRO A 62 3.429 8.401 -5.773 1.00 0.00 C ATOM 0 HA PRO A 62 2.524 8.271 -8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.815 6.873 -8.396 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.788 8.622 -8.279 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.600 6.577 -6.015 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.559 8.043 -6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.154 8.023 -4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.687 9.453 -5.650 1.00 0.00 H new ATOM 448 N ALA A 63 1.743 6.028 -9.326 1.00 0.00 N ATOM 449 CA ALA A 63 1.262 4.730 -9.751 1.00 0.00 C ATOM 450 C ALA A 63 2.472 3.816 -9.987 1.00 0.00 C ATOM 451 O ALA A 63 3.520 4.303 -10.425 1.00 0.00 O ATOM 452 CB ALA A 63 0.458 4.969 -11.033 1.00 0.00 C ATOM 0 H ALA A 63 1.622 6.750 -10.036 1.00 0.00 H new ATOM 0 HA ALA A 63 0.628 4.244 -9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.069 4.020 -11.401 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.372 5.644 -10.822 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.104 5.414 -11.790 1.00 0.00 H new ATOM 453 N TRP A 64 2.363 2.510 -9.720 1.00 0.00 N ATOM 454 CA TRP A 64 3.481 1.576 -9.826 1.00 0.00 C ATOM 455 C TRP A 64 3.279 0.577 -10.966 1.00 0.00 C ATOM 456 O TRP A 64 4.071 -0.360 -11.107 1.00 0.00 O ATOM 457 CB TRP A 64 3.733 0.897 -8.476 1.00 0.00 C ATOM 458 CG TRP A 64 4.163 1.843 -7.398 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.368 2.537 -6.553 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.517 2.284 -7.117 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.144 3.357 -5.757 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.484 3.244 -6.067 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.770 1.985 -7.682 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.648 3.861 -5.586 1.00 0.00 C ATOM 465 CZ3 TRP A 64 7.944 2.603 -7.218 1.00 0.00 C ATOM 466 CH2 TRP A 64 7.887 3.529 -6.160 1.00 0.00 C ATOM 0 H TRP A 64 1.491 2.072 -9.423 1.00 0.00 H new ATOM 0 HA TRP A 64 4.380 2.137 -10.081 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.822 0.389 -8.159 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.498 0.131 -8.602 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.292 2.462 -6.507 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.773 3.970 -5.031 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.831 1.268 -8.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.593 4.582 -4.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 8.893 2.366 -7.675 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.794 3.984 -5.790 1.00 0.00 H new ATOM 467 N ASP A 65 2.259 0.796 -11.805 1.00 0.00 N ATOM 468 CA ASP A 65 1.988 0.005 -12.976 1.00 0.00 C ATOM 469 C ASP A 65 3.265 -0.217 -13.795 1.00 0.00 C ATOM 470 O ASP A 65 3.939 0.725 -14.211 1.00 0.00 O ATOM 471 CB ASP A 65 0.870 0.677 -13.780 1.00 0.00 C ATOM 472 CG ASP A 65 1.229 2.071 -14.269 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.125 3.003 -13.445 1.00 0.00 O ATOM 474 OD2 ASP A 65 1.676 2.219 -15.426 1.00 0.00 O ATOM 0 H ASP A 65 1.590 1.554 -11.670 1.00 0.00 H new ATOM 0 HA ASP A 65 1.645 -0.988 -12.687 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.624 0.052 -14.638 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.026 0.737 -13.162 1.00 0.00 H new ATOM 475 N GLY A 66 3.636 -1.489 -13.956 1.00 0.00 N ATOM 476 CA GLY A 66 4.790 -1.925 -14.730 1.00 0.00 C ATOM 477 C GLY A 66 6.136 -1.405 -14.218 1.00 0.00 C ATOM 478 O GLY A 66 7.124 -1.486 -14.946 1.00 0.00 O ATOM 0 H GLY A 66 3.123 -2.264 -13.537 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.815 -3.015 -14.737 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.660 -1.603 -15.763 1.00 0.00 H new ATOM 479 N ARG A 67 6.200 -0.879 -12.989 1.00 0.00 N ATOM 480 CA ARG A 67 7.446 -0.438 -12.364 1.00 0.00 C ATOM 481 C ARG A 67 7.917 -1.497 -11.375 1.00 0.00 C ATOM 482 O ARG A 67 9.106 -1.796 -11.320 1.00 0.00 O ATOM 483 CB ARG A 67 7.240 0.932 -11.706 1.00 0.00 C ATOM 484 CG ARG A 67 7.147 1.987 -12.819 1.00 0.00 C ATOM 485 CD ARG A 67 6.233 3.166 -12.476 1.00 0.00 C ATOM 486 NE ARG A 67 5.709 3.744 -13.726 1.00 0.00 N ATOM 487 CZ ARG A 67 4.399 3.752 -14.026 1.00 0.00 C ATOM 488 NH1 ARG A 67 3.510 3.996 -13.066 1.00 0.00 N ATOM 489 NH2 ARG A 67 3.995 3.498 -15.272 1.00 0.00 N ATOM 0 H ARG A 67 5.379 -0.748 -12.398 1.00 0.00 H new ATOM 0 HA ARG A 67 8.227 -0.319 -13.115 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.331 0.932 -11.104 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.067 1.160 -11.034 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.147 2.365 -13.034 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.784 1.510 -13.730 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.412 2.834 -11.841 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.785 3.920 -11.915 1.00 0.00 H new ATOM 0 HE ARG A 67 6.366 4.154 -14.390 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.825 4.175 -12.113 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.514 4.004 -13.284 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.681 3.297 -16.000 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.000 3.505 -15.497 1.00 0.00 H new ATOM 490 N LEU A 68 6.977 -2.072 -10.624 1.00 0.00 N ATOM 491 CA LEU A 68 7.208 -3.266 -9.824 1.00 0.00 C ATOM 492 C LEU A 68 6.687 -4.471 -10.619 1.00 0.00 C ATOM 493 O LEU A 68 5.781 -4.304 -11.439 1.00 0.00 O ATOM 494 CB LEU A 68 6.477 -3.121 -8.485 1.00 0.00 C ATOM 495 CG LEU A 68 6.854 -1.868 -7.683 1.00 0.00 C ATOM 496 CD1 LEU A 68 5.952 -1.783 -6.449 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.321 -1.851 -7.244 1.00 0.00 C ATOM 0 H LEU A 68 6.024 -1.714 -10.556 1.00 0.00 H new ATOM 0 HA LEU A 68 8.268 -3.407 -9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.403 -3.107 -8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.683 -4.001 -7.876 1.00 0.00 H new ATOM 0 HG LEU A 68 6.713 -1.008 -8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.210 -0.896 -5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.910 -1.721 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.093 -2.672 -5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.522 -0.939 -6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.522 -2.717 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.964 -1.884 -8.123 1.00 0.00 H new ATOM 498 N ASP A 69 7.247 -5.665 -10.399 1.00 0.00 N ATOM 499 CA ASP A 69 6.792 -6.884 -11.071 1.00 0.00 C ATOM 500 C ASP A 69 5.501 -7.395 -10.438 1.00 0.00 C ATOM 501 O ASP A 69 5.042 -6.904 -9.415 1.00 0.00 O ATOM 502 CB ASP A 69 7.877 -7.970 -11.028 1.00 0.00 C ATOM 503 CG ASP A 69 7.708 -9.142 -11.987 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.793 -9.069 -12.834 1.00 0.00 O ATOM 505 OD2 ASP A 69 8.490 -10.104 -11.842 1.00 0.00 O ATOM 0 H ASP A 69 8.023 -5.812 -9.754 1.00 0.00 H new ATOM 0 HA ASP A 69 6.594 -6.641 -12.115 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.839 -7.499 -11.232 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.924 -8.364 -10.013 1.00 0.00 H new ATOM 506 N GLU A 70 4.925 -8.420 -11.043 1.00 0.00 N ATOM 507 CA GLU A 70 3.617 -8.959 -10.679 1.00 0.00 C ATOM 508 C GLU A 70 3.635 -9.469 -9.231 1.00 0.00 C ATOM 509 O GLU A 70 2.811 -9.082 -8.397 1.00 0.00 O ATOM 510 CB GLU A 70 3.225 -10.048 -11.690 1.00 0.00 C ATOM 511 CG GLU A 70 1.767 -10.496 -11.528 1.00 0.00 C ATOM 512 CD GLU A 70 1.380 -11.509 -12.599 1.00 0.00 C ATOM 513 OE1 GLU A 70 1.784 -12.682 -12.443 1.00 0.00 O ATOM 514 OE2 GLU A 70 0.692 -11.093 -13.556 1.00 0.00 O ATOM 0 H GLU A 70 5.361 -8.916 -11.821 1.00 0.00 H new ATOM 0 HA GLU A 70 2.858 -8.177 -10.721 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.377 -9.673 -12.702 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.883 -10.908 -11.567 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.626 -10.935 -10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.109 -9.629 -11.588 1.00 0.00 H new ATOM 515 N ASP A 71 4.607 -10.331 -8.935 1.00 0.00 N ATOM 516 CA ASP A 71 4.791 -10.942 -7.626 1.00 0.00 C ATOM 517 C ASP A 71 5.052 -9.855 -6.589 1.00 0.00 C ATOM 518 O ASP A 71 4.410 -9.775 -5.546 1.00 0.00 O ATOM 519 CB ASP A 71 5.976 -11.907 -7.703 1.00 0.00 C ATOM 520 CG ASP A 71 6.208 -12.608 -6.371 1.00 0.00 C ATOM 521 OD1 ASP A 71 5.247 -13.239 -5.884 1.00 0.00 O ATOM 522 OD2 ASP A 71 7.349 -12.507 -5.874 1.00 0.00 O ATOM 0 H ASP A 71 5.304 -10.629 -9.618 1.00 0.00 H new ATOM 0 HA ASP A 71 3.896 -11.490 -7.332 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.793 -12.649 -8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.874 -11.360 -7.990 1.00 0.00 H new ATOM 523 N GLU A 72 5.993 -8.981 -6.929 1.00 0.00 N ATOM 524 CA GLU A 72 6.393 -7.824 -6.162 1.00 0.00 C ATOM 525 C GLU A 72 5.168 -6.994 -5.737 1.00 0.00 C ATOM 526 O GLU A 72 4.893 -6.842 -4.544 1.00 0.00 O ATOM 527 CB GLU A 72 7.381 -7.068 -7.056 1.00 0.00 C ATOM 528 CG GLU A 72 8.104 -5.978 -6.311 1.00 0.00 C ATOM 529 CD GLU A 72 9.183 -5.313 -7.153 1.00 0.00 C ATOM 530 OE1 GLU A 72 9.052 -5.383 -8.395 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.112 -4.748 -6.538 1.00 0.00 O ATOM 0 H GLU A 72 6.522 -9.073 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 72 6.874 -8.085 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.108 -7.770 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.846 -6.635 -7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.385 -5.225 -5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.556 -6.395 -5.411 1.00 0.00 H new ATOM 532 N ILE A 73 4.412 -6.498 -6.721 1.00 0.00 N ATOM 533 CA ILE A 73 3.134 -5.802 -6.547 1.00 0.00 C ATOM 534 C ILE A 73 2.249 -6.582 -5.568 1.00 0.00 C ATOM 535 O ILE A 73 1.796 -6.057 -4.548 1.00 0.00 O ATOM 536 CB ILE A 73 2.419 -5.650 -7.910 1.00 0.00 C ATOM 537 CG1 ILE A 73 3.128 -4.705 -8.891 1.00 0.00 C ATOM 538 CG2 ILE A 73 0.962 -5.217 -7.746 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.775 -3.219 -8.760 1.00 0.00 C ATOM 0 H ILE A 73 4.685 -6.574 -7.701 1.00 0.00 H new ATOM 0 HA ILE A 73 3.322 -4.808 -6.141 1.00 0.00 H new ATOM 0 HB ILE A 73 2.455 -6.648 -8.346 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.204 -4.816 -8.759 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.896 -5.026 -9.907 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.498 -5.122 -8.728 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.424 -5.963 -7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.924 -4.256 -7.232 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.333 -2.646 -9.501 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.706 -3.083 -8.926 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.035 -2.870 -7.761 1.00 0.00 H new ATOM 540 N ALA A 74 1.986 -7.848 -5.893 1.00 0.00 N ATOM 541 CA ALA A 74 1.132 -8.694 -5.071 1.00 0.00 C ATOM 542 C ALA A 74 1.650 -8.782 -3.631 1.00 0.00 C ATOM 543 O ALA A 74 0.861 -8.764 -2.686 1.00 0.00 O ATOM 544 CB ALA A 74 1.003 -10.081 -5.706 1.00 0.00 C ATOM 0 H ALA A 74 2.356 -8.308 -6.725 1.00 0.00 H new ATOM 0 HA ALA A 74 0.141 -8.243 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.363 -10.707 -5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.565 -9.987 -6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.989 -10.538 -5.786 1.00 0.00 H new ATOM 545 N GLY A 75 2.971 -8.864 -3.452 1.00 0.00 N ATOM 546 CA GLY A 75 3.587 -9.103 -2.167 1.00 0.00 C ATOM 547 C GLY A 75 3.455 -7.847 -1.329 1.00 0.00 C ATOM 548 O GLY A 75 3.054 -7.911 -0.172 1.00 0.00 O ATOM 0 H GLY A 75 3.642 -8.763 -4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.106 -9.944 -1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.637 -9.365 -2.293 1.00 0.00 H new ATOM 549 N VAL A 76 3.771 -6.691 -1.914 1.00 0.00 N ATOM 550 CA VAL A 76 3.680 -5.427 -1.206 1.00 0.00 C ATOM 551 C VAL A 76 2.226 -5.130 -0.824 1.00 0.00 C ATOM 552 O VAL A 76 1.957 -4.736 0.313 1.00 0.00 O ATOM 553 CB VAL A 76 4.406 -4.325 -1.994 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.566 -3.599 -3.045 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.935 -3.249 -1.038 1.00 0.00 C ATOM 0 H VAL A 76 4.092 -6.611 -2.879 1.00 0.00 H new ATOM 0 HA VAL A 76 4.205 -5.478 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 76 5.197 -4.862 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.176 -2.843 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.207 -4.316 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.715 -3.119 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.447 -2.475 -1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.102 -2.806 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.632 -3.700 -0.332 1.00 0.00 H new ATOM 556 N ALA A 77 1.276 -5.370 -1.739 1.00 0.00 N ATOM 557 CA ALA A 77 -0.134 -5.258 -1.402 1.00 0.00 C ATOM 558 C ALA A 77 -0.493 -6.172 -0.228 1.00 0.00 C ATOM 559 O ALA A 77 -0.980 -5.708 0.802 1.00 0.00 O ATOM 560 CB ALA A 77 -0.986 -5.595 -2.623 1.00 0.00 C ATOM 0 H ALA A 77 1.464 -5.639 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.337 -4.231 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.042 -5.510 -2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.753 -4.902 -3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.773 -6.614 -2.945 1.00 0.00 H new ATOM 561 N ALA A 78 -0.256 -7.478 -0.382 1.00 0.00 N ATOM 562 CA ALA A 78 -0.562 -8.466 0.641 1.00 0.00 C ATOM 563 C ALA A 78 0.111 -8.145 1.979 1.00 0.00 C ATOM 564 O ALA A 78 -0.482 -8.367 3.035 1.00 0.00 O ATOM 565 CB ALA A 78 -0.165 -9.853 0.141 1.00 0.00 C ATOM 0 H ALA A 78 0.156 -7.875 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.636 -8.443 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.394 -10.595 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.721 -10.085 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.904 -9.870 -0.074 1.00 0.00 H new ATOM 566 N TYR A 79 1.338 -7.620 1.943 1.00 0.00 N ATOM 567 CA TYR A 79 2.068 -7.195 3.124 1.00 0.00 C ATOM 568 C TYR A 79 1.291 -6.124 3.862 1.00 0.00 C ATOM 569 O TYR A 79 0.892 -6.330 5.008 1.00 0.00 O ATOM 570 CB TYR A 79 3.468 -6.699 2.750 1.00 0.00 C ATOM 571 CG TYR A 79 4.222 -5.999 3.866 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.473 -6.675 5.074 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.564 -4.639 3.745 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.030 -5.989 6.166 1.00 0.00 C ATOM 575 CE2 TYR A 79 5.147 -3.961 4.831 1.00 0.00 C ATOM 576 CZ TYR A 79 5.371 -4.632 6.042 1.00 0.00 C ATOM 577 OH TYR A 79 5.881 -3.953 7.107 1.00 0.00 O ATOM 0 H TYR A 79 1.854 -7.479 1.075 1.00 0.00 H new ATOM 0 HA TYR A 79 2.186 -8.052 3.787 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.059 -7.549 2.411 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.381 -6.014 1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.237 -7.725 5.162 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.379 -4.116 2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.196 -6.505 7.100 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.423 -2.921 4.732 1.00 0.00 H new ATOM 0 HH TYR A 79 6.062 -3.026 6.847 1.00 0.00 H new ATOM 578 N VAL A 80 1.070 -4.989 3.195 1.00 0.00 N ATOM 579 CA VAL A 80 0.283 -3.897 3.721 1.00 0.00 C ATOM 580 C VAL A 80 -1.045 -4.435 4.263 1.00 0.00 C ATOM 581 O VAL A 80 -1.446 -4.085 5.371 1.00 0.00 O ATOM 582 CB VAL A 80 0.122 -2.862 2.600 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.016 -1.903 2.909 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.426 -2.072 2.422 1.00 0.00 C ATOM 0 H VAL A 80 1.443 -4.811 2.262 1.00 0.00 H new ATOM 0 HA VAL A 80 0.769 -3.405 4.564 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.110 -3.393 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.111 -1.178 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.947 -2.462 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.808 -1.380 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.302 -1.340 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.670 -1.558 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.234 -2.757 2.164 1.00 0.00 H new ATOM 585 N TYR A 81 -1.714 -5.308 3.505 1.00 0.00 N ATOM 586 CA TYR A 81 -2.973 -5.896 3.931 1.00 0.00 C ATOM 587 C TYR A 81 -2.830 -6.628 5.263 1.00 0.00 C ATOM 588 O TYR A 81 -3.598 -6.367 6.181 1.00 0.00 O ATOM 589 CB TYR A 81 -3.528 -6.830 2.854 1.00 0.00 C ATOM 590 CG TYR A 81 -5.019 -7.068 2.985 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.911 -6.029 2.670 1.00 0.00 C ATOM 592 CD2 TYR A 81 -5.517 -8.282 3.496 1.00 0.00 C ATOM 593 CE1 TYR A 81 -7.290 -6.204 2.849 1.00 0.00 C ATOM 594 CE2 TYR A 81 -6.903 -8.465 3.647 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.793 -7.429 3.315 1.00 0.00 C ATOM 596 OH TYR A 81 -9.135 -7.611 3.480 1.00 0.00 O ATOM 0 H TYR A 81 -1.396 -5.621 2.588 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.682 -5.082 4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.318 -6.407 1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.007 -7.786 2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.533 -5.092 2.289 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.835 -9.072 3.772 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.968 -5.393 2.628 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.285 -9.404 4.019 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.615 -6.823 3.149 1.00 0.00 H new ATOM 597 N ASP A 82 -1.867 -7.546 5.380 1.00 0.00 N ATOM 598 CA ASP A 82 -1.681 -8.350 6.586 1.00 0.00 C ATOM 599 C ASP A 82 -1.336 -7.460 7.786 1.00 0.00 C ATOM 600 O ASP A 82 -1.932 -7.549 8.869 1.00 0.00 O ATOM 601 CB ASP A 82 -0.564 -9.376 6.341 1.00 0.00 C ATOM 602 CG ASP A 82 -0.782 -10.621 7.175 1.00 0.00 C ATOM 603 OD1 ASP A 82 -0.561 -10.530 8.400 1.00 0.00 O ATOM 604 OD2 ASP A 82 -1.179 -11.639 6.565 1.00 0.00 O ATOM 0 H ASP A 82 -1.195 -7.751 4.640 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.611 -8.872 6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.534 -9.642 5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.402 -8.934 6.586 1.00 0.00 H new ATOM 605 N GLN A 83 -0.337 -6.605 7.557 1.00 0.00 N ATOM 606 CA GLN A 83 0.232 -5.611 8.446 1.00 0.00 C ATOM 607 C GLN A 83 -0.879 -4.709 9.010 1.00 0.00 C ATOM 608 O GLN A 83 -0.933 -4.489 10.222 1.00 0.00 O ATOM 609 CB GLN A 83 1.287 -4.877 7.593 1.00 0.00 C ATOM 610 CG GLN A 83 2.114 -3.784 8.234 1.00 0.00 C ATOM 611 CD GLN A 83 3.031 -4.252 9.343 1.00 0.00 C ATOM 612 OE1 GLN A 83 2.505 -4.210 10.551 1.00 0.00 O flip ATOM 613 NE2 GLN A 83 4.187 -4.605 9.125 1.00 0.00 N flip ATOM 0 H GLN A 83 0.134 -6.598 6.653 1.00 0.00 H new ATOM 0 HA GLN A 83 0.710 -6.029 9.332 1.00 0.00 H new ATOM 0 HB2 GLN A 83 1.976 -5.627 7.204 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.773 -4.442 6.736 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.715 -3.303 7.463 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.441 -3.025 8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.544 -4.619 8.170 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.790 -4.884 9.899 1.00 0.00 H new ATOM 614 N ALA A 84 -1.779 -4.222 8.146 1.00 0.00 N ATOM 615 CA ALA A 84 -2.930 -3.408 8.524 1.00 0.00 C ATOM 616 C ALA A 84 -4.010 -4.245 9.215 1.00 0.00 C ATOM 617 O ALA A 84 -4.446 -3.904 10.312 1.00 0.00 O ATOM 618 CB ALA A 84 -3.497 -2.692 7.288 1.00 0.00 C ATOM 0 H ALA A 84 -1.721 -4.390 7.142 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.595 -2.659 9.242 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.355 -2.087 7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.730 -2.049 6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.808 -3.431 6.550 1.00 0.00 H new ATOM 619 N ALA A 85 -4.446 -5.338 8.582 1.00 0.00 N ATOM 620 CA ALA A 85 -5.532 -6.202 9.046 1.00 0.00 C ATOM 621 C ALA A 85 -5.304 -6.621 10.491 1.00 0.00 C ATOM 622 O ALA A 85 -6.199 -6.532 11.326 1.00 0.00 O ATOM 623 CB ALA A 85 -5.633 -7.464 8.178 1.00 0.00 C ATOM 0 H ALA A 85 -4.038 -5.655 7.703 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.459 -5.633 8.971 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.447 -8.091 8.541 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.828 -7.180 7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.696 -8.018 8.231 1.00 0.00 H new ATOM 624 N GLY A 86 -4.087 -7.085 10.776 1.00 0.00 N ATOM 625 CA GLY A 86 -3.731 -7.555 12.101 1.00 0.00 C ATOM 626 C GLY A 86 -3.473 -6.422 13.097 1.00 0.00 C ATOM 627 O GLY A 86 -3.135 -6.711 14.241 1.00 0.00 O ATOM 0 H GLY A 86 -3.330 -7.143 10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.532 -8.188 12.482 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.839 -8.177 12.031 1.00 0.00 H new ATOM 628 N ASN A 87 -3.542 -5.161 12.655 1.00 0.00 N ATOM 629 CA ASN A 87 -2.984 -4.005 13.346 1.00 0.00 C ATOM 630 C ASN A 87 -1.609 -4.338 13.924 1.00 0.00 C ATOM 631 O ASN A 87 -1.391 -4.264 15.132 1.00 0.00 O ATOM 632 CB ASN A 87 -3.957 -3.436 14.389 1.00 0.00 C ATOM 633 CG ASN A 87 -3.584 -1.996 14.750 1.00 0.00 C ATOM 634 OD1 ASN A 87 -4.311 -1.066 14.413 1.00 0.00 O ATOM 635 ND2 ASN A 87 -2.444 -1.782 15.397 1.00 0.00 N ATOM 0 H ASN A 87 -4.003 -4.915 11.779 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.839 -3.206 12.618 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.974 -3.466 13.999 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.941 -4.056 15.285 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.157 -0.830 15.624 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.855 -2.570 15.667 1.00 0.00 H new ATOM 636 N LYS A 88 -0.677 -4.707 13.044 1.00 0.00 N ATOM 637 CA LYS A 88 0.716 -4.883 13.408 1.00 0.00 C ATOM 638 C LYS A 88 1.492 -3.573 13.192 1.00 0.00 C ATOM 639 O LYS A 88 2.712 -3.577 13.348 1.00 0.00 O ATOM 640 CB LYS A 88 1.308 -6.052 12.599 1.00 0.00 C ATOM 641 CG LYS A 88 1.024 -7.444 13.173 1.00 0.00 C ATOM 642 CD LYS A 88 -0.265 -8.061 12.622 1.00 0.00 C ATOM 643 CE LYS A 88 0.011 -8.747 11.274 1.00 0.00 C ATOM 644 NZ LYS A 88 -1.155 -9.398 10.653 1.00 0.00 N ATOM 0 H LYS A 88 -0.874 -4.891 12.060 1.00 0.00 H new ATOM 0 HA LYS A 88 0.798 -5.130 14.466 1.00 0.00 H new ATOM 0 HB2 LYS A 88 0.915 -6.007 11.583 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.387 -5.917 12.530 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.862 -8.103 12.947 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.954 -7.377 14.259 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.663 -8.785 13.333 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.023 -7.288 12.497 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.405 -8.004 10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.791 -9.495 11.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.833 -10.050 9.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.682 -9.929 11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.774 -8.675 10.235 1.00 0.00 H new ATOM 645 N TRP A 89 0.828 -2.489 12.765 1.00 0.00 N ATOM 646 CA TRP A 89 1.406 -1.157 12.865 1.00 0.00 C ATOM 647 C TRP A 89 1.588 -0.814 14.346 1.00 0.00 C ATOM 648 O TRP A 89 2.633 -0.215 14.675 1.00 0.00 O ATOM 649 CB TRP A 89 0.473 -0.119 12.234 1.00 0.00 C ATOM 650 CG TRP A 89 0.109 -0.305 10.793 1.00 0.00 C ATOM 651 CD1 TRP A 89 -1.152 -0.291 10.308 1.00 0.00 C ATOM 652 CD2 TRP A 89 0.981 -0.479 9.633 1.00 0.00 C ATOM 653 NE1 TRP A 89 -1.118 -0.438 8.941 1.00 0.00 N ATOM 654 CE2 TRP A 89 0.166 -0.562 8.464 1.00 0.00 C ATOM 655 CE3 TRP A 89 2.373 -0.601 9.443 1.00 0.00 C ATOM 656 CZ2 TRP A 89 0.698 -0.732 7.176 1.00 0.00 C ATOM 657 CZ3 TRP A 89 2.908 -0.842 8.166 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.088 -0.822 7.024 1.00 0.00 C ATOM 659 OXT TRP A 89 0.651 -1.134 15.115 1.00 0.00 O ATOM 0 H TRP A 89 -0.104 -2.516 12.351 1.00 0.00 H new ATOM 0 HA TRP A 89 2.362 -1.142 12.341 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.449 -0.098 12.814 1.00 0.00 H new ATOM 0 HB3 TRP A 89 0.938 0.861 12.340 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -2.048 -0.181 10.902 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.949 -0.453 8.349 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.037 -0.508 10.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 0.047 -0.792 6.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 3.963 -1.045 8.060 1.00 0.00 H new ATOM 0 HH2 TRP A 89 2.526 -0.876 6.038 1.00 0.00 H new