USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 738 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: B 58 SER OG : rot -56:sc= 0.885 USER MOD Set 1.2: B 61 ASN :FLIP amide:sc= 0.789 F(o=0.98,f=1.7) USER MOD Set 2.1: A 58 SER OG : rot -57:sc= 0.875 USER MOD Set 2.2: A 61 ASN :FLIP amide:sc= 0.79 F(o=1.1,f=1.7) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= 1.32 (180deg=1.11) USER MOD Single : A 48 MET CE :methyl -157:sc= 0 (180deg=-0.00212) USER MOD Single : A 52 SER OG : rot 63:sc= 1.27 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.2!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc=-0.000553 X(o=-0.00055,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.685 K(o=0.68,f=-0.048) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0.436 X(o=0.44,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.15) USER MOD Single : B 48 MET CE :methyl -157:sc= 0 (180deg=-0.00234) USER MOD Single : B 52 SER OG : rot 48:sc= 1.26 USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.2!) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 GLN : amide:sc= 0.69 K(o=0.69,f=-0.042) USER MOD Single : B 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 78 ASN : amide:sc= 0.439 X(o=0.44,f=0) USER MOD Single : B 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 38 -9.836 -13.107 -96.353 1.00 0.00 N ATOM 2 CA ASP A 38 -10.310 -13.794 -95.158 1.00 0.00 C ATOM 3 C ASP A 38 -9.155 -14.148 -94.230 1.00 0.00 C ATOM 4 O ASP A 38 -9.344 -14.317 -93.025 1.00 0.00 O ATOM 5 CB ASP A 38 -11.074 -15.066 -95.538 1.00 0.00 C ATOM 6 CG ASP A 38 -12.424 -14.776 -96.180 1.00 0.00 C ATOM 7 OD1 ASP A 38 -12.884 -13.664 -96.075 1.00 0.00 O ATOM 8 OD2 ASP A 38 -12.983 -15.670 -96.769 1.00 0.00 O ATOM 0 HA ASP A 38 -10.981 -13.115 -94.632 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.469 -15.655 -96.227 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.225 -15.674 -94.646 1.00 0.00 H new ATOM 13 N TYR A 39 -7.959 -14.256 -94.797 1.00 0.00 N ATOM 14 CA TYR A 39 -6.787 -14.680 -94.040 1.00 0.00 C ATOM 15 C TYR A 39 -5.988 -13.481 -93.547 1.00 0.00 C ATOM 16 O TYR A 39 -5.568 -12.635 -94.336 1.00 0.00 O ATOM 17 CB TYR A 39 -5.903 -15.594 -94.889 1.00 0.00 C ATOM 18 CG TYR A 39 -6.542 -16.924 -95.223 1.00 0.00 C ATOM 19 CD1 TYR A 39 -7.316 -17.054 -96.367 1.00 0.00 C ATOM 20 CD2 TYR A 39 -6.354 -18.014 -94.386 1.00 0.00 C ATOM 21 CE1 TYR A 39 -7.900 -18.267 -96.672 1.00 0.00 C ATOM 22 CE2 TYR A 39 -6.938 -19.228 -94.691 1.00 0.00 C ATOM 23 CZ TYR A 39 -7.708 -19.356 -95.829 1.00 0.00 C ATOM 24 OH TYR A 39 -8.291 -20.566 -96.133 1.00 0.00 O ATOM 0 H TYR A 39 -7.775 -14.055 -95.780 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.134 -15.237 -93.170 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.650 -15.080 -95.816 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.968 -15.774 -94.359 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.462 -16.206 -97.019 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -5.751 -17.913 -93.496 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -8.504 -18.370 -97.562 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.792 -20.077 -94.039 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.058 -21.223 -95.444 1.00 0.00 H new ATOM 34 N LEU A 40 -5.779 -13.413 -92.236 1.00 0.00 N ATOM 35 CA LEU A 40 -5.026 -12.319 -91.635 1.00 0.00 C ATOM 36 C LEU A 40 -3.569 -12.345 -92.079 1.00 0.00 C ATOM 37 O LEU A 40 -2.986 -11.306 -92.393 1.00 0.00 O ATOM 38 CB LEU A 40 -5.102 -12.401 -90.105 1.00 0.00 C ATOM 39 CG LEU A 40 -4.331 -11.316 -89.342 1.00 0.00 C ATOM 40 CD1 LEU A 40 -4.870 -9.944 -89.727 1.00 0.00 C ATOM 41 CD2 LEU A 40 -4.464 -11.555 -87.846 1.00 0.00 C ATOM 0 H LEU A 40 -6.122 -14.104 -91.569 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.471 -11.382 -91.970 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.150 -12.353 -89.808 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.727 -13.375 -89.793 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.274 -11.357 -89.604 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.323 -9.173 -89.185 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.746 -9.792 -90.799 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.928 -9.884 -89.473 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.916 -10.784 -87.304 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.516 -11.519 -87.564 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.055 -12.534 -87.596 1.00 0.00 H new ATOM 53 N PRO A 41 -2.983 -13.538 -92.104 1.00 0.00 N ATOM 54 CA PRO A 41 -1.605 -13.707 -92.547 1.00 0.00 C ATOM 55 C PRO A 41 -1.371 -13.023 -93.889 1.00 0.00 C ATOM 56 O PRO A 41 -0.348 -12.370 -94.093 1.00 0.00 O ATOM 57 CB PRO A 41 -1.461 -15.227 -92.654 1.00 0.00 C ATOM 58 CG PRO A 41 -2.368 -15.756 -91.597 1.00 0.00 C ATOM 59 CD PRO A 41 -3.579 -14.863 -91.662 1.00 0.00 C ATOM 0 HA PRO A 41 -0.876 -13.259 -91.872 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.749 -15.586 -93.642 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.431 -15.542 -92.489 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.631 -16.797 -91.784 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.898 -15.718 -90.614 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.319 -15.233 -92.372 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.077 -14.782 -90.696 1.00 0.00 H new ATOM 67 N THR A 42 -2.324 -13.180 -94.801 1.00 0.00 N ATOM 68 CA THR A 42 -2.225 -12.576 -96.124 1.00 0.00 C ATOM 69 C THR A 42 -2.285 -11.057 -96.041 1.00 0.00 C ATOM 70 O THR A 42 -1.439 -10.360 -96.602 1.00 0.00 O ATOM 71 CB THR A 42 -3.342 -13.088 -97.052 1.00 0.00 C ATOM 72 OG1 THR A 42 -3.210 -14.505 -97.227 1.00 0.00 O ATOM 73 CG2 THR A 42 -3.263 -12.404 -98.409 1.00 0.00 C ATOM 0 H THR A 42 -3.175 -13.721 -94.648 1.00 0.00 H new ATOM 0 HA THR A 42 -1.260 -12.867 -96.540 1.00 0.00 H new ATOM 0 HB THR A 42 -4.305 -12.859 -96.596 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.923 -14.830 -97.816 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.060 -12.778 -99.052 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.375 -11.327 -98.281 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.297 -12.616 -98.868 1.00 0.00 H new ATOM 81 N LEU A 43 -3.292 -10.547 -95.338 1.00 0.00 N ATOM 82 CA LEU A 43 -3.408 -9.113 -95.096 1.00 0.00 C ATOM 83 C LEU A 43 -2.117 -8.546 -94.519 1.00 0.00 C ATOM 84 O LEU A 43 -1.603 -7.535 -94.999 1.00 0.00 O ATOM 85 CB LEU A 43 -4.572 -8.831 -94.137 1.00 0.00 C ATOM 86 CG LEU A 43 -4.780 -7.359 -93.760 1.00 0.00 C ATOM 87 CD1 LEU A 43 -5.104 -6.554 -95.012 1.00 0.00 C ATOM 88 CD2 LEU A 43 -5.900 -7.251 -92.736 1.00 0.00 C ATOM 0 H LEU A 43 -4.039 -11.106 -94.926 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.600 -8.626 -96.052 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.490 -9.205 -94.590 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.412 -9.402 -93.223 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.869 -6.955 -93.318 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.252 -5.508 -94.744 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.279 -6.634 -95.720 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.014 -6.943 -95.470 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.048 -6.205 -92.468 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.821 -7.651 -93.161 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.634 -7.820 -91.845 1.00 0.00 H new ATOM 100 N ARG A 44 -1.597 -9.201 -93.487 1.00 0.00 N ATOM 101 CA ARG A 44 -0.405 -8.723 -92.798 1.00 0.00 C ATOM 102 C ARG A 44 0.797 -8.690 -93.734 1.00 0.00 C ATOM 103 O ARG A 44 1.551 -7.718 -93.757 1.00 0.00 O ATOM 104 CB ARG A 44 -0.087 -9.607 -91.602 1.00 0.00 C ATOM 105 CG ARG A 44 -1.089 -9.524 -90.461 1.00 0.00 C ATOM 106 CD ARG A 44 -0.547 -10.117 -89.211 1.00 0.00 C ATOM 107 NE ARG A 44 -0.401 -11.560 -89.314 1.00 0.00 N ATOM 108 CZ ARG A 44 0.303 -12.320 -88.453 1.00 0.00 C ATOM 109 NH1 ARG A 44 0.918 -11.763 -87.433 1.00 0.00 N ATOM 110 NH2 ARG A 44 0.376 -13.627 -88.634 1.00 0.00 N ATOM 0 H ARG A 44 -1.983 -10.066 -93.109 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.611 -7.709 -92.455 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.027 -10.642 -91.939 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.898 -9.338 -91.221 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.354 -8.482 -90.284 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.005 -10.043 -90.743 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.421 -9.669 -88.987 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.209 -9.878 -88.379 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.864 -12.029 -90.092 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.862 -10.754 -87.293 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.451 -12.340 -86.782 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.101 -14.060 -89.425 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.909 -14.203 -87.982 1.00 0.00 H new ATOM 124 N LYS A 45 0.969 -9.757 -94.506 1.00 0.00 N ATOM 125 CA LYS A 45 2.050 -9.831 -95.481 1.00 0.00 C ATOM 126 C LYS A 45 2.031 -8.631 -96.418 1.00 0.00 C ATOM 127 O LYS A 45 3.044 -7.957 -96.600 1.00 0.00 O ATOM 128 CB LYS A 45 1.957 -11.129 -96.287 1.00 0.00 C ATOM 129 CG LYS A 45 3.030 -11.283 -97.356 1.00 0.00 C ATOM 130 CD LYS A 45 2.900 -12.614 -98.082 1.00 0.00 C ATOM 131 CE LYS A 45 4.026 -12.812 -99.084 1.00 0.00 C ATOM 132 NZ LYS A 45 3.903 -11.894-100.249 1.00 0.00 N ATOM 0 H LYS A 45 0.372 -10.584 -94.475 1.00 0.00 H new ATOM 0 HA LYS A 45 2.993 -9.820 -94.934 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.021 -11.974 -95.601 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.978 -11.178 -96.763 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.952 -10.466 -98.073 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.016 -11.211 -96.897 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.909 -13.428 -97.357 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.941 -12.657 -98.598 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.984 -12.646 -98.591 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.023 -13.844 -99.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.523 -12.222-101.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.917 -11.884-100.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.183 -10.933 -99.965 1.00 0.00 H new ATOM 146 N GLU A 46 0.871 -8.368 -97.011 1.00 0.00 N ATOM 147 CA GLU A 46 0.717 -7.246 -97.929 1.00 0.00 C ATOM 148 C GLU A 46 1.078 -5.928 -97.255 1.00 0.00 C ATOM 149 O GLU A 46 1.750 -5.082 -97.845 1.00 0.00 O ATOM 150 CB GLU A 46 -0.706 -7.193 -98.466 1.00 0.00 C ATOM 0 H GLU A 46 0.023 -8.918 -96.872 1.00 0.00 H new ATOM 0 HA GLU A 46 1.403 -7.397 -98.762 1.00 0.00 H new ATOM 155 N LEU A 47 0.628 -5.761 -96.016 1.00 0.00 N ATOM 156 CA LEU A 47 0.843 -4.518 -95.285 1.00 0.00 C ATOM 157 C LEU A 47 2.314 -4.334 -94.932 1.00 0.00 C ATOM 158 O LEU A 47 2.827 -3.215 -94.929 1.00 0.00 O ATOM 159 CB LEU A 47 -0.003 -4.503 -94.005 1.00 0.00 C ATOM 160 CG LEU A 47 -1.519 -4.400 -94.211 1.00 0.00 C ATOM 161 CD1 LEU A 47 -2.228 -4.618 -92.882 1.00 0.00 C ATOM 162 CD2 LEU A 47 -1.861 -3.038 -94.797 1.00 0.00 C ATOM 0 H LEU A 47 0.112 -6.471 -95.497 1.00 0.00 H new ATOM 0 HA LEU A 47 0.539 -3.693 -95.930 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.208 -5.412 -93.442 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.319 -3.664 -93.388 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.853 -5.168 -94.909 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.306 -4.545 -93.028 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.981 -5.607 -92.495 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.906 -3.859 -92.169 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.939 -2.965 -94.943 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.534 -2.255 -94.113 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.356 -2.917 -95.755 1.00 0.00 H new ATOM 174 N MET A 48 2.988 -5.440 -94.634 1.00 0.00 N ATOM 175 CA MET A 48 4.428 -5.421 -94.407 1.00 0.00 C ATOM 176 C MET A 48 5.174 -4.930 -95.641 1.00 0.00 C ATOM 177 O MET A 48 6.096 -4.121 -95.539 1.00 0.00 O ATOM 178 CB MET A 48 4.917 -6.811 -94.006 1.00 0.00 C ATOM 179 CG MET A 48 4.470 -7.261 -92.622 1.00 0.00 C ATOM 180 SD MET A 48 4.987 -8.946 -92.238 1.00 0.00 S ATOM 181 CE MET A 48 4.229 -9.175 -90.632 1.00 0.00 C ATOM 0 H MET A 48 2.559 -6.361 -94.544 1.00 0.00 H new ATOM 0 HA MET A 48 4.634 -4.726 -93.593 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.563 -7.533 -94.741 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.006 -6.825 -94.045 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.877 -6.581 -91.874 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.384 -7.194 -92.556 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.760 -9.956 -90.087 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.279 -8.242 -90.070 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.186 -9.466 -90.760 1.00 0.00 H new ATOM 191 N GLU A 49 4.769 -5.425 -96.806 1.00 0.00 N ATOM 192 CA GLU A 49 5.382 -5.017 -98.065 1.00 0.00 C ATOM 193 C GLU A 49 5.191 -3.527 -98.314 1.00 0.00 C ATOM 194 O GLU A 49 6.108 -2.841 -98.767 1.00 0.00 O ATOM 195 CB GLU A 49 4.793 -5.819 -99.228 1.00 0.00 C ATOM 196 CG GLU A 49 5.147 -7.299 -99.216 1.00 0.00 C ATOM 197 CD GLU A 49 4.408 -8.086-100.261 1.00 0.00 C ATOM 198 OE1 GLU A 49 3.661 -7.496-101.004 1.00 0.00 O ATOM 199 OE2 GLU A 49 4.591 -9.280-100.317 1.00 0.00 O ATOM 0 H GLU A 49 4.019 -6.109 -96.904 1.00 0.00 H new ATOM 0 HA GLU A 49 6.451 -5.218 -97.996 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.708 -5.718 -99.210 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.139 -5.383-100.165 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.219 -7.412 -99.374 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.925 -7.713 -98.232 1.00 0.00 H new ATOM 206 N VAL A 50 3.996 -3.031 -98.015 1.00 0.00 N ATOM 207 CA VAL A 50 3.700 -1.609 -98.152 1.00 0.00 C ATOM 208 C VAL A 50 4.617 -0.768 -97.273 1.00 0.00 C ATOM 209 O VAL A 50 5.143 0.255 -97.709 1.00 0.00 O ATOM 210 CB VAL A 50 2.234 -1.329 -97.775 1.00 0.00 C ATOM 211 CG1 VAL A 50 1.991 0.167 -97.652 1.00 0.00 C ATOM 212 CG2 VAL A 50 1.306 -1.942 -98.813 1.00 0.00 C ATOM 0 H VAL A 50 3.215 -3.593 -97.676 1.00 0.00 H new ATOM 0 HA VAL A 50 3.868 -1.335 -99.194 1.00 0.00 H new ATOM 0 HB VAL A 50 2.025 -1.785 -96.807 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.949 0.346 -97.385 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.640 0.579 -96.879 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.210 0.651 -98.604 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.270 -1.740 -98.540 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.515 -1.507 -99.790 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.467 -3.019 -98.854 1.00 0.00 H new ATOM 222 N LEU A 51 4.804 -1.207 -96.033 1.00 0.00 N ATOM 223 CA LEU A 51 5.592 -0.453 -95.065 1.00 0.00 C ATOM 224 C LEU A 51 7.082 -0.557 -95.366 1.00 0.00 C ATOM 225 O LEU A 51 7.836 0.390 -95.150 1.00 0.00 O ATOM 226 CB LEU A 51 5.315 -0.963 -93.644 1.00 0.00 C ATOM 227 CG LEU A 51 3.901 -0.702 -93.109 1.00 0.00 C ATOM 228 CD1 LEU A 51 3.677 -1.524 -91.846 1.00 0.00 C ATOM 229 CD2 LEU A 51 3.729 0.784 -92.832 1.00 0.00 C ATOM 0 H LEU A 51 4.420 -2.081 -95.674 1.00 0.00 H new ATOM 0 HA LEU A 51 5.299 0.594 -95.138 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.500 -2.037 -93.620 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.032 -0.501 -92.965 1.00 0.00 H new ATOM 0 HG LEU A 51 3.160 -1.001 -93.851 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.673 -1.339 -91.465 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.788 -2.583 -92.077 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.410 -1.238 -91.091 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.724 0.969 -92.452 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.462 1.103 -92.091 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.877 1.346 -93.754 1.00 0.00 H new ATOM 241 N SER A 52 7.500 -1.716 -95.867 1.00 0.00 N ATOM 242 CA SER A 52 8.866 -1.897 -96.342 1.00 0.00 C ATOM 243 C SER A 52 9.225 -0.856 -97.395 1.00 0.00 C ATOM 244 O SER A 52 10.298 -0.255 -97.346 1.00 0.00 O ATOM 245 CB SER A 52 9.038 -3.289 -96.916 1.00 0.00 C ATOM 246 OG SER A 52 10.329 -3.463 -97.433 1.00 0.00 O ATOM 0 H SER A 52 6.911 -2.544 -95.954 1.00 0.00 H new ATOM 0 HA SER A 52 9.537 -1.770 -95.493 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.850 -4.032 -96.141 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.302 -3.455 -97.702 1.00 0.00 H new ATOM 0 HG SER A 52 10.985 -3.376 -96.710 1.00 0.00 H new ATOM 252 N LYS A 53 8.321 -0.647 -98.346 1.00 0.00 N ATOM 253 CA LYS A 53 8.603 0.201 -99.498 1.00 0.00 C ATOM 254 C LYS A 53 8.470 1.676 -99.142 1.00 0.00 C ATOM 255 O LYS A 53 9.138 2.528 -99.727 1.00 0.00 O ATOM 256 CB LYS A 53 7.672 -0.146-100.660 1.00 0.00 C ATOM 257 CG LYS A 53 7.930 -1.509-101.289 1.00 0.00 C ATOM 258 CD LYS A 53 6.947 -1.795-102.414 1.00 0.00 C ATOM 259 CE LYS A 53 7.203 -3.157-103.041 1.00 0.00 C ATOM 260 NZ LYS A 53 6.228 -3.463-104.124 1.00 0.00 N ATOM 0 H LYS A 53 7.386 -1.054 -98.342 1.00 0.00 H new ATOM 0 HA LYS A 53 9.633 0.016 -99.803 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.642 -0.112-100.306 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.770 0.620-101.429 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.949 -1.546-101.675 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.849 -2.284-100.527 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.928 -1.756-102.028 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.029 -1.020-103.177 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.215 -3.186-103.445 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.145 -3.927-102.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.437 -4.400-104.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.264 -3.461-103.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.301 -2.743-104.871 1.00 0.00 H new ATOM 274 N TYR A 54 7.603 1.971 -98.180 1.00 0.00 N ATOM 275 CA TYR A 54 7.328 3.349 -97.793 1.00 0.00 C ATOM 276 C TYR A 54 8.416 3.892 -96.874 1.00 0.00 C ATOM 277 O TYR A 54 8.989 4.950 -97.132 1.00 0.00 O ATOM 278 CB TYR A 54 5.960 3.452 -97.113 1.00 0.00 C ATOM 279 CG TYR A 54 4.794 3.378 -98.074 1.00 0.00 C ATOM 280 CD1 TYR A 54 4.958 2.789 -99.319 1.00 0.00 C ATOM 281 CD2 TYR A 54 3.561 3.899 -97.710 1.00 0.00 C ATOM 282 CE1 TYR A 54 3.892 2.720-100.196 1.00 0.00 C ATOM 283 CE2 TYR A 54 2.497 3.831 -98.587 1.00 0.00 C ATOM 284 CZ TYR A 54 2.659 3.244 -99.826 1.00 0.00 C ATOM 285 OH TYR A 54 1.599 3.177-100.699 1.00 0.00 O ATOM 0 H TYR A 54 7.078 1.273 -97.653 1.00 0.00 H new ATOM 0 HA TYR A 54 7.317 3.954 -98.699 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.867 2.650 -96.381 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.907 4.392 -96.564 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.918 2.384 -99.603 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.433 4.358 -96.741 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.017 2.261-101.165 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.537 4.237 -98.304 1.00 0.00 H new ATOM 0 HH TYR A 54 0.810 3.587-100.287 1.00 0.00 H new ATOM 295 N VAL A 55 8.695 3.159 -95.801 1.00 0.00 N ATOM 296 CA VAL A 55 9.614 3.630 -94.771 1.00 0.00 C ATOM 297 C VAL A 55 11.044 3.201 -95.071 1.00 0.00 C ATOM 298 O VAL A 55 11.980 3.603 -94.380 1.00 0.00 O ATOM 299 CB VAL A 55 9.195 3.085 -93.393 1.00 0.00 C ATOM 300 CG1 VAL A 55 10.182 3.527 -92.323 1.00 0.00 C ATOM 301 CG2 VAL A 55 7.788 3.553 -93.056 1.00 0.00 C ATOM 0 H VAL A 55 8.298 2.237 -95.622 1.00 0.00 H new ATOM 0 HA VAL A 55 9.572 4.719 -94.761 1.00 0.00 H new ATOM 0 HB VAL A 55 9.200 1.996 -93.427 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.871 3.133 -91.356 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.175 3.149 -92.566 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.208 4.616 -92.280 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.499 3.163 -92.080 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.762 4.642 -93.034 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.093 3.189 -93.812 1.00 0.00 H new ATOM 311 N ASN A 56 11.207 2.382 -96.104 1.00 0.00 N ATOM 312 CA ASN A 56 12.524 1.893 -96.494 1.00 0.00 C ATOM 313 C ASN A 56 13.099 0.959 -95.437 1.00 0.00 C ATOM 314 O ASN A 56 14.296 0.996 -95.148 1.00 0.00 O ATOM 315 CB ASN A 56 13.469 3.052 -96.754 1.00 0.00 C ATOM 316 CG ASN A 56 14.645 2.658 -97.604 1.00 0.00 C ATOM 317 OD1 ASN A 56 14.524 1.817 -98.502 1.00 0.00 O ATOM 318 ND2 ASN A 56 15.782 3.250 -97.338 1.00 0.00 N ATOM 0 H ASN A 56 10.442 2.042 -96.687 1.00 0.00 H new ATOM 0 HA ASN A 56 12.411 1.325 -97.418 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.924 3.858 -97.245 1.00 0.00 H new ATOM 0 HB3 ASN A 56 13.828 3.444 -95.802 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.615 3.023 -97.882 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.835 3.938 -96.587 1.00 0.00 H new ATOM 325 N VAL A 57 12.241 0.123 -94.863 1.00 0.00 N ATOM 326 CA VAL A 57 12.682 -0.908 -93.932 1.00 0.00 C ATOM 327 C VAL A 57 12.419 -2.302 -94.487 1.00 0.00 C ATOM 328 O VAL A 57 11.758 -2.457 -95.514 1.00 0.00 O ATOM 329 CB VAL A 57 11.960 -0.752 -92.581 1.00 0.00 C ATOM 330 CG1 VAL A 57 12.298 0.589 -91.947 1.00 0.00 C ATOM 331 CG2 VAL A 57 10.458 -0.893 -92.778 1.00 0.00 C ATOM 0 H VAL A 57 11.234 0.140 -95.027 1.00 0.00 H new ATOM 0 HA VAL A 57 13.756 -0.787 -93.789 1.00 0.00 H new ATOM 0 HB VAL A 57 12.299 -1.538 -91.906 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.779 0.682 -90.993 1.00 0.00 H new ATOM 0 HG12 VAL A 57 13.374 0.653 -91.782 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.984 1.395 -92.611 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.953 -0.782 -91.818 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.107 -0.122 -93.464 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.236 -1.876 -93.193 1.00 0.00 H new ATOM 341 N SER A 58 12.940 -3.314 -93.802 1.00 0.00 N ATOM 342 CA SER A 58 12.740 -4.700 -94.212 1.00 0.00 C ATOM 343 C SER A 58 11.527 -5.309 -93.521 1.00 0.00 C ATOM 344 O SER A 58 10.946 -4.704 -92.619 1.00 0.00 O ATOM 345 CB SER A 58 13.977 -5.520 -93.899 1.00 0.00 C ATOM 346 OG SER A 58 14.133 -5.684 -92.516 1.00 0.00 O ATOM 0 H SER A 58 13.504 -3.201 -92.960 1.00 0.00 H new ATOM 0 HA SER A 58 12.562 -4.711 -95.287 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.902 -6.496 -94.379 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.858 -5.029 -94.312 1.00 0.00 H new ATOM 0 HG SER A 58 14.176 -4.805 -92.085 1.00 0.00 H new ATOM 352 N LEU A 59 11.148 -6.508 -93.949 1.00 0.00 N ATOM 353 CA LEU A 59 9.987 -7.190 -93.390 1.00 0.00 C ATOM 354 C LEU A 59 10.179 -7.476 -91.906 1.00 0.00 C ATOM 355 O LEU A 59 9.218 -7.489 -91.137 1.00 0.00 O ATOM 356 CB LEU A 59 9.732 -8.503 -94.141 1.00 0.00 C ATOM 357 CG LEU A 59 9.324 -8.358 -95.613 1.00 0.00 C ATOM 358 CD1 LEU A 59 9.249 -9.737 -96.257 1.00 0.00 C ATOM 359 CD2 LEU A 59 7.987 -7.639 -95.702 1.00 0.00 C ATOM 0 H LEU A 59 11.629 -7.028 -94.683 1.00 0.00 H new ATOM 0 HA LEU A 59 9.125 -6.533 -93.505 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.636 -9.110 -94.092 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.949 -9.053 -93.618 1.00 0.00 H new ATOM 0 HG LEU A 59 10.067 -7.767 -96.149 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.959 -9.635 -97.303 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.224 -10.220 -96.196 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.510 -10.343 -95.733 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.698 -7.536 -96.748 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.229 -8.214 -95.171 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.075 -6.650 -95.251 1.00 0.00 H new ATOM 371 N ASP A 60 11.426 -7.705 -91.508 1.00 0.00 N ATOM 372 CA ASP A 60 11.738 -8.061 -90.129 1.00 0.00 C ATOM 373 C ASP A 60 11.574 -6.865 -89.201 1.00 0.00 C ATOM 374 O ASP A 60 11.567 -7.012 -87.979 1.00 0.00 O ATOM 375 CB ASP A 60 13.165 -8.604 -90.025 1.00 0.00 C ATOM 376 CG ASP A 60 13.328 -9.972 -90.675 1.00 0.00 C ATOM 377 OD1 ASP A 60 12.334 -10.611 -90.924 1.00 0.00 O ATOM 378 OD2 ASP A 60 14.444 -10.364 -90.916 1.00 0.00 O ATOM 0 H ASP A 60 12.238 -7.650 -92.122 1.00 0.00 H new ATOM 0 HA ASP A 60 11.036 -8.836 -89.821 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.851 -7.900 -90.495 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.447 -8.671 -88.974 1.00 0.00 H new ATOM 383 N ASN A 61 11.441 -5.680 -89.788 1.00 0.00 N ATOM 384 CA ASN A 61 11.292 -4.454 -89.014 1.00 0.00 C ATOM 385 C ASN A 61 9.826 -4.065 -88.874 1.00 0.00 C ATOM 386 O ASN A 61 9.504 -2.982 -88.385 1.00 0.00 O ATOM 387 CB ASN A 61 12.086 -3.325 -89.644 1.00 0.00 C ATOM 388 CG ASN A 61 13.566 -3.464 -89.420 1.00 0.00 C ATOM 389 OD1 ASN A 61 14.256 -3.999 -90.395 1.00 0.00 O flip ATOM 390 ND2 ASN A 61 14.085 -3.085 -88.364 1.00 0.00 N flip ATOM 0 H ASN A 61 11.433 -5.543 -90.799 1.00 0.00 H new ATOM 0 HA ASN A 61 11.686 -4.639 -88.015 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.885 -3.298 -90.715 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.748 -2.374 -89.232 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.507 -2.673 -87.631 1.00 0.00 H new ATOM 0 HD22 ASN A 61 15.091 -3.184 -88.226 1.00 0.00 H new ATOM 397 N ILE A 62 8.940 -4.956 -89.305 1.00 0.00 N ATOM 398 CA ILE A 62 7.504 -4.724 -89.194 1.00 0.00 C ATOM 399 C ILE A 62 6.858 -5.718 -88.237 1.00 0.00 C ATOM 400 O ILE A 62 7.134 -6.916 -88.292 1.00 0.00 O ATOM 401 CB ILE A 62 6.824 -4.821 -90.572 1.00 0.00 C ATOM 402 CG1 ILE A 62 7.538 -3.920 -91.584 1.00 0.00 C ATOM 403 CG2 ILE A 62 5.354 -4.448 -90.467 1.00 0.00 C ATOM 404 CD1 ILE A 62 7.474 -2.449 -91.243 1.00 0.00 C ATOM 0 H ILE A 62 9.191 -5.846 -89.735 1.00 0.00 H new ATOM 0 HA ILE A 62 7.367 -3.717 -88.799 1.00 0.00 H new ATOM 0 HB ILE A 62 6.892 -5.852 -90.921 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.583 -4.223 -91.652 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.097 -4.075 -92.569 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.889 -4.522 -91.450 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.854 -5.128 -89.777 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.263 -3.426 -90.099 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.001 -1.876 -92.005 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.433 -2.129 -91.204 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.942 -2.280 -90.273 1.00 0.00 H new ATOM 416 N ARG A 63 5.997 -5.213 -87.361 1.00 0.00 N ATOM 417 CA ARG A 63 5.199 -6.069 -86.491 1.00 0.00 C ATOM 418 C ARG A 63 3.712 -5.767 -86.634 1.00 0.00 C ATOM 419 O ARG A 63 3.278 -4.632 -86.440 1.00 0.00 O ATOM 420 CB ARG A 63 5.612 -5.888 -85.038 1.00 0.00 C ATOM 421 CG ARG A 63 7.038 -6.311 -84.721 1.00 0.00 C ATOM 422 CD ARG A 63 7.205 -7.784 -84.808 1.00 0.00 C ATOM 423 NE ARG A 63 8.556 -8.198 -84.459 1.00 0.00 N ATOM 424 CZ ARG A 63 9.589 -8.239 -85.322 1.00 0.00 C ATOM 425 NH1 ARG A 63 9.413 -7.889 -86.577 1.00 0.00 N ATOM 426 NH2 ARG A 63 10.782 -8.630 -84.907 1.00 0.00 N ATOM 0 H ARG A 63 5.834 -4.214 -87.234 1.00 0.00 H new ATOM 0 HA ARG A 63 5.378 -7.101 -86.793 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.491 -4.839 -84.769 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.930 -6.459 -84.408 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.725 -5.825 -85.414 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.304 -5.973 -83.719 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.493 -8.270 -84.142 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.973 -8.117 -85.820 1.00 0.00 H new ATOM 0 HE ARG A 63 8.733 -8.476 -83.494 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.493 -7.586 -86.898 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.196 -7.920 -87.230 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.920 -8.901 -83.933 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.564 -8.661 -85.561 1.00 0.00 H new ATOM 440 N ILE A 64 2.937 -6.791 -86.976 1.00 0.00 N ATOM 441 CA ILE A 64 1.499 -6.633 -87.163 1.00 0.00 C ATOM 442 C ILE A 64 0.723 -7.691 -86.389 1.00 0.00 C ATOM 443 O ILE A 64 1.013 -8.884 -86.491 1.00 0.00 O ATOM 444 CB ILE A 64 1.127 -6.712 -88.655 1.00 0.00 C ATOM 445 CG1 ILE A 64 1.931 -5.687 -89.460 1.00 0.00 C ATOM 446 CG2 ILE A 64 -0.365 -6.489 -88.844 1.00 0.00 C ATOM 447 CD1 ILE A 64 1.686 -5.754 -90.951 1.00 0.00 C ATOM 0 H ILE A 64 3.280 -7.739 -87.129 1.00 0.00 H new ATOM 0 HA ILE A 64 1.229 -5.649 -86.780 1.00 0.00 H new ATOM 0 HB ILE A 64 1.374 -7.708 -89.022 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.685 -4.686 -89.105 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.993 -5.841 -89.268 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.610 -6.548 -89.904 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.919 -7.254 -88.300 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.637 -5.505 -88.463 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.290 -4.998 -91.453 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.960 -6.742 -91.321 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.631 -5.570 -91.155 1.00 0.00 H new ATOM 459 N SER A 65 -0.262 -7.249 -85.616 1.00 0.00 N ATOM 460 CA SER A 65 -1.050 -8.152 -84.787 1.00 0.00 C ATOM 461 C SER A 65 -2.481 -7.652 -84.633 1.00 0.00 C ATOM 462 O SER A 65 -2.717 -6.452 -84.494 1.00 0.00 O ATOM 463 CB SER A 65 -0.408 -8.304 -83.422 1.00 0.00 C ATOM 464 OG SER A 65 -1.171 -9.142 -82.598 1.00 0.00 O ATOM 0 H SER A 65 -0.534 -6.268 -85.546 1.00 0.00 H new ATOM 0 HA SER A 65 -1.079 -9.123 -85.282 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.596 -8.713 -83.532 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.304 -7.325 -82.954 1.00 0.00 H new ATOM 0 HG SER A 65 -0.736 -9.226 -81.724 1.00 0.00 H new ATOM 470 N GLN A 66 -3.433 -8.578 -84.660 1.00 0.00 N ATOM 471 CA GLN A 66 -4.842 -8.234 -84.517 1.00 0.00 C ATOM 472 C GLN A 66 -5.395 -8.716 -83.182 1.00 0.00 C ATOM 473 O GLN A 66 -5.048 -9.800 -82.712 1.00 0.00 O ATOM 474 CB GLN A 66 -5.659 -8.829 -85.667 1.00 0.00 C ATOM 475 CG GLN A 66 -7.123 -8.425 -85.665 1.00 0.00 C ATOM 476 CD GLN A 66 -7.875 -8.968 -86.865 1.00 0.00 C ATOM 477 OE1 GLN A 66 -8.018 -10.183 -87.028 1.00 0.00 O ATOM 478 NE2 GLN A 66 -8.362 -8.069 -87.713 1.00 0.00 N ATOM 0 H GLN A 66 -3.253 -9.575 -84.780 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.923 -7.147 -84.548 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.211 -8.523 -86.612 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.594 -9.916 -85.620 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.595 -8.785 -84.751 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.197 -7.338 -85.655 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.220 -7.074 -87.539 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.878 -8.374 -88.538 1.00 0.00 H new ATOM 487 N GLU A 67 -6.255 -7.906 -82.576 1.00 0.00 N ATOM 488 CA GLU A 67 -6.815 -8.222 -81.267 1.00 0.00 C ATOM 489 C GLU A 67 -8.297 -7.880 -81.204 1.00 0.00 C ATOM 490 O GLU A 67 -8.723 -6.831 -81.689 1.00 0.00 O ATOM 491 CB GLU A 67 -6.060 -7.471 -80.168 1.00 0.00 C ATOM 492 CG GLU A 67 -6.502 -7.815 -78.753 1.00 0.00 C ATOM 493 CD GLU A 67 -5.679 -7.129 -77.700 1.00 0.00 C ATOM 494 OE1 GLU A 67 -4.823 -6.354 -78.053 1.00 0.00 O ATOM 495 OE2 GLU A 67 -5.906 -7.381 -76.539 1.00 0.00 O ATOM 0 H GLU A 67 -6.580 -7.024 -82.971 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.704 -9.295 -81.108 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.995 -7.684 -80.265 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.186 -6.400 -80.325 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.548 -7.537 -78.627 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.439 -8.894 -78.610 1.00 0.00 H new ATOM 502 N LYS A 68 -9.080 -8.769 -80.603 1.00 0.00 N ATOM 503 CA LYS A 68 -10.514 -8.549 -80.452 1.00 0.00 C ATOM 504 C LYS A 68 -10.837 -7.941 -79.093 1.00 0.00 C ATOM 505 O LYS A 68 -10.448 -8.477 -78.055 1.00 0.00 O ATOM 506 CB LYS A 68 -11.279 -9.860 -80.637 1.00 0.00 C ATOM 507 CG LYS A 68 -12.795 -9.715 -80.599 1.00 0.00 C ATOM 508 CD LYS A 68 -13.485 -11.041 -80.879 1.00 0.00 C ATOM 509 CE LYS A 68 -14.999 -10.900 -80.830 1.00 0.00 C ATOM 510 NZ LYS A 68 -15.687 -12.187 -81.118 1.00 0.00 N ATOM 0 H LYS A 68 -8.746 -9.650 -80.212 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.827 -7.845 -81.223 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.992 -10.302 -81.591 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.973 -10.558 -79.858 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.102 -9.342 -79.622 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.110 -8.976 -81.336 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.184 -11.410 -81.860 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.163 -11.782 -80.147 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.298 -10.541 -79.845 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.317 -10.149 -81.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.717 -12.047 -81.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.422 -12.517 -82.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.404 -12.897 -80.413 1.00 0.00 H new ATOM 524 N GLN A 69 -11.550 -6.821 -79.106 1.00 0.00 N ATOM 525 CA GLN A 69 -11.869 -6.100 -77.879 1.00 0.00 C ATOM 526 C GLN A 69 -13.271 -5.508 -77.936 1.00 0.00 C ATOM 527 O GLN A 69 -13.618 -4.799 -78.881 1.00 0.00 O ATOM 528 CB GLN A 69 -10.843 -4.992 -77.627 1.00 0.00 C ATOM 529 CG GLN A 69 -11.116 -4.163 -76.383 1.00 0.00 C ATOM 530 CD GLN A 69 -10.902 -4.951 -75.104 1.00 0.00 C ATOM 531 OE1 GLN A 69 -9.843 -5.547 -74.895 1.00 0.00 O ATOM 532 NE2 GLN A 69 -11.911 -4.959 -74.240 1.00 0.00 N ATOM 0 H GLN A 69 -11.919 -6.391 -79.954 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.832 -6.813 -77.055 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.853 -5.441 -77.541 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.819 -4.331 -78.493 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.464 -3.289 -76.382 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.142 -3.795 -76.413 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.770 -4.452 -74.454 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.827 -5.472 -73.363 1.00 0.00 H new ATOM 541 N ASP A 70 -14.074 -5.804 -76.920 1.00 0.00 N ATOM 542 CA ASP A 70 -15.450 -5.325 -76.867 1.00 0.00 C ATOM 543 C ASP A 70 -16.263 -5.855 -78.041 1.00 0.00 C ATOM 544 O ASP A 70 -17.275 -5.268 -78.423 1.00 0.00 O ATOM 545 CB ASP A 70 -15.487 -3.794 -76.863 1.00 0.00 C ATOM 546 CG ASP A 70 -14.767 -3.189 -75.666 1.00 0.00 C ATOM 547 OD1 ASP A 70 -14.613 -3.871 -74.681 1.00 0.00 O ATOM 548 OD2 ASP A 70 -14.377 -2.048 -75.748 1.00 0.00 O ATOM 0 H ASP A 70 -13.795 -6.374 -76.121 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.893 -5.696 -75.943 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.032 -3.422 -77.781 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.525 -3.460 -76.864 1.00 0.00 H new ATOM 553 N GLY A 71 -15.814 -6.968 -78.611 1.00 0.00 N ATOM 554 CA GLY A 71 -16.574 -7.661 -79.644 1.00 0.00 C ATOM 555 C GLY A 71 -16.156 -7.204 -81.036 1.00 0.00 C ATOM 556 O GLY A 71 -16.656 -7.707 -82.041 1.00 0.00 O ATOM 0 H GLY A 71 -14.926 -7.410 -78.374 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.423 -8.736 -79.551 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -17.639 -7.476 -79.502 1.00 0.00 H new ATOM 560 N MET A 72 -15.235 -6.248 -81.087 1.00 0.00 N ATOM 561 CA MET A 72 -14.766 -5.703 -82.356 1.00 0.00 C ATOM 562 C MET A 72 -13.282 -5.982 -82.560 1.00 0.00 C ATOM 563 O MET A 72 -12.535 -6.152 -81.596 1.00 0.00 O ATOM 564 CB MET A 72 -15.039 -4.202 -82.419 1.00 0.00 C ATOM 565 CG MET A 72 -16.515 -3.829 -82.382 1.00 0.00 C ATOM 566 SD MET A 72 -16.788 -2.055 -82.564 1.00 0.00 S ATOM 567 CE MET A 72 -18.577 -1.986 -82.563 1.00 0.00 C ATOM 0 H MET A 72 -14.798 -5.834 -80.264 1.00 0.00 H new ATOM 0 HA MET A 72 -15.314 -6.196 -83.159 1.00 0.00 H new ATOM 0 HB2 MET A 72 -14.533 -3.718 -81.584 1.00 0.00 H new ATOM 0 HB3 MET A 72 -14.599 -3.803 -83.333 1.00 0.00 H new ATOM 0 HG2 MET A 72 -17.039 -4.357 -83.179 1.00 0.00 H new ATOM 0 HG3 MET A 72 -16.947 -4.164 -81.439 1.00 0.00 H new ATOM 0 HE1 MET A 72 -18.901 -0.951 -82.668 1.00 0.00 H new ATOM 0 HE2 MET A 72 -18.964 -2.574 -83.395 1.00 0.00 H new ATOM 0 HE3 MET A 72 -18.956 -2.391 -81.625 1.00 0.00 H new ATOM 577 N ASP A 73 -12.862 -6.029 -83.819 1.00 0.00 N ATOM 578 CA ASP A 73 -11.485 -6.370 -84.155 1.00 0.00 C ATOM 579 C ASP A 73 -10.675 -5.125 -84.491 1.00 0.00 C ATOM 580 O ASP A 73 -11.122 -4.270 -85.255 1.00 0.00 O ATOM 581 CB ASP A 73 -11.446 -7.346 -85.334 1.00 0.00 C ATOM 582 CG ASP A 73 -11.996 -8.721 -84.984 1.00 0.00 C ATOM 583 OD1 ASP A 73 -11.951 -9.081 -83.831 1.00 0.00 O ATOM 584 OD2 ASP A 73 -12.456 -9.398 -85.872 1.00 0.00 O ATOM 0 H ASP A 73 -13.456 -5.835 -84.625 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.040 -6.846 -83.281 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.021 -6.931 -86.162 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.417 -7.449 -85.680 1.00 0.00 H new ATOM 589 N VAL A 74 -9.480 -5.029 -83.916 1.00 0.00 N ATOM 590 CA VAL A 74 -8.567 -3.935 -84.225 1.00 0.00 C ATOM 591 C VAL A 74 -7.196 -4.461 -84.633 1.00 0.00 C ATOM 592 O VAL A 74 -6.614 -5.302 -83.948 1.00 0.00 O ATOM 593 CB VAL A 74 -8.415 -3.006 -83.006 1.00 0.00 C ATOM 594 CG1 VAL A 74 -7.411 -1.902 -83.301 1.00 0.00 C ATOM 595 CG2 VAL A 74 -9.767 -2.419 -82.630 1.00 0.00 C ATOM 0 H VAL A 74 -9.122 -5.696 -83.233 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.989 -3.376 -85.060 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.041 -3.587 -82.163 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.316 -1.255 -82.429 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.442 -2.344 -83.533 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.755 -1.315 -84.153 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.652 -1.763 -81.767 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.162 -1.848 -83.470 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.458 -3.225 -82.383 1.00 0.00 H new ATOM 605 N LEU A 75 -6.686 -3.961 -85.752 1.00 0.00 N ATOM 606 CA LEU A 75 -5.373 -4.363 -86.243 1.00 0.00 C ATOM 607 C LEU A 75 -4.312 -3.327 -85.892 1.00 0.00 C ATOM 608 O LEU A 75 -4.540 -2.124 -86.020 1.00 0.00 O ATOM 609 CB LEU A 75 -5.414 -4.567 -87.762 1.00 0.00 C ATOM 610 CG LEU A 75 -4.128 -5.110 -88.396 1.00 0.00 C ATOM 611 CD1 LEU A 75 -3.893 -6.539 -87.926 1.00 0.00 C ATOM 612 CD2 LEU A 75 -4.241 -5.045 -89.912 1.00 0.00 C ATOM 0 H LEU A 75 -7.162 -3.275 -86.338 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.109 -5.303 -85.759 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.229 -5.251 -87.996 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.654 -3.613 -88.232 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.277 -4.502 -88.089 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.979 -6.925 -88.377 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.796 -6.554 -86.840 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.736 -7.163 -88.224 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.326 -5.431 -90.362 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.089 -5.647 -90.240 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.389 -4.010 -90.222 1.00 0.00 H new ATOM 624 N GLU A 76 -3.153 -3.801 -85.449 1.00 0.00 N ATOM 625 CA GLU A 76 -2.087 -2.916 -84.993 1.00 0.00 C ATOM 626 C GLU A 76 -0.796 -3.169 -85.760 1.00 0.00 C ATOM 627 O GLU A 76 -0.365 -4.314 -85.910 1.00 0.00 O ATOM 628 CB GLU A 76 -1.846 -3.101 -83.494 1.00 0.00 C ATOM 629 CG GLU A 76 -0.692 -2.280 -82.937 1.00 0.00 C ATOM 630 CD GLU A 76 -0.444 -2.532 -81.476 1.00 0.00 C ATOM 631 OE1 GLU A 76 -1.366 -2.912 -80.794 1.00 0.00 O ATOM 632 OE2 GLU A 76 0.667 -2.345 -81.041 1.00 0.00 O ATOM 0 H GLU A 76 -2.927 -4.794 -85.396 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.402 -1.890 -85.181 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.757 -2.837 -82.957 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.654 -4.156 -83.297 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.214 -2.509 -83.498 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.901 -1.221 -83.087 1.00 0.00 H new ATOM 639 N LEU A 77 -0.181 -2.096 -86.245 1.00 0.00 N ATOM 640 CA LEU A 77 1.093 -2.194 -86.947 1.00 0.00 C ATOM 641 C LEU A 77 2.161 -1.345 -86.269 1.00 0.00 C ATOM 642 O LEU A 77 1.890 -0.232 -85.819 1.00 0.00 O ATOM 643 CB LEU A 77 0.930 -1.752 -88.406 1.00 0.00 C ATOM 644 CG LEU A 77 -0.041 -2.588 -89.250 1.00 0.00 C ATOM 645 CD1 LEU A 77 -1.459 -2.064 -89.063 1.00 0.00 C ATOM 646 CD2 LEU A 77 0.375 -2.529 -90.712 1.00 0.00 C ATOM 0 H LEU A 77 -0.545 -1.147 -86.165 1.00 0.00 H new ATOM 0 HA LEU A 77 1.412 -3.236 -86.918 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.592 -0.716 -88.417 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.909 -1.773 -88.884 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.013 -3.629 -88.927 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.148 -2.658 -89.663 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.738 -2.136 -88.012 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.507 -1.022 -89.381 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.315 -3.123 -91.311 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.355 -1.494 -91.055 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.384 -2.927 -90.820 1.00 0.00 H new ATOM 658 N ASN A 78 3.377 -1.877 -86.200 1.00 0.00 N ATOM 659 CA ASN A 78 4.507 -1.137 -85.651 1.00 0.00 C ATOM 660 C ASN A 78 5.710 -1.197 -86.584 1.00 0.00 C ATOM 661 O ASN A 78 6.087 -2.268 -87.058 1.00 0.00 O ATOM 662 CB ASN A 78 4.872 -1.664 -84.275 1.00 0.00 C ATOM 663 CG ASN A 78 3.806 -1.390 -83.250 1.00 0.00 C ATOM 664 OD1 ASN A 78 3.601 -0.240 -82.842 1.00 0.00 O ATOM 665 ND2 ASN A 78 3.124 -2.423 -82.827 1.00 0.00 N ATOM 0 H ASN A 78 3.605 -2.819 -86.518 1.00 0.00 H new ATOM 0 HA ASN A 78 4.209 -0.093 -85.555 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.045 -2.738 -84.336 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.808 -1.208 -83.952 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.388 -2.298 -82.132 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.328 -3.353 -83.192 1.00 0.00 H new ATOM 672 N ILE A 79 6.307 -0.039 -86.845 1.00 0.00 N ATOM 673 CA ILE A 79 7.473 0.041 -87.716 1.00 0.00 C ATOM 674 C ILE A 79 8.673 0.621 -86.979 1.00 0.00 C ATOM 675 O ILE A 79 8.634 1.760 -86.510 1.00 0.00 O ATOM 676 CB ILE A 79 7.171 0.897 -88.960 1.00 0.00 C ATOM 677 CG1 ILE A 79 5.945 0.354 -89.697 1.00 0.00 C ATOM 678 CG2 ILE A 79 8.379 0.935 -89.885 1.00 0.00 C ATOM 679 CD1 ILE A 79 4.642 0.984 -89.263 1.00 0.00 C ATOM 0 H ILE A 79 6.002 0.857 -86.465 1.00 0.00 H new ATOM 0 HA ILE A 79 7.713 -0.975 -88.031 1.00 0.00 H new ATOM 0 HB ILE A 79 6.954 1.915 -88.636 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.076 0.514 -90.767 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.887 -0.723 -89.541 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.149 1.544 -90.759 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.229 1.366 -89.356 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.626 -0.078 -90.203 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.820 0.547 -89.830 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.486 0.802 -88.200 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.679 2.058 -89.445 1.00 0.00 H new ATOM 691 N THR A 80 9.738 -0.166 -86.879 1.00 0.00 N ATOM 692 CA THR A 80 10.950 0.267 -86.194 1.00 0.00 C ATOM 693 C THR A 80 11.934 0.906 -87.166 1.00 0.00 C ATOM 694 O THR A 80 12.403 0.261 -88.104 1.00 0.00 O ATOM 695 CB THR A 80 11.628 -0.910 -85.470 1.00 0.00 C ATOM 696 OG1 THR A 80 10.741 -1.440 -84.477 1.00 0.00 O ATOM 697 CG2 THR A 80 12.917 -0.455 -84.802 1.00 0.00 C ATOM 0 H THR A 80 9.787 -1.109 -87.264 1.00 0.00 H new ATOM 0 HA THR A 80 10.654 1.012 -85.455 1.00 0.00 H new ATOM 0 HB THR A 80 11.864 -1.680 -86.204 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.174 -2.190 -84.019 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.382 -1.300 -84.295 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.599 -0.064 -85.557 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.694 0.326 -84.075 1.00 0.00 H new ATOM 705 N LEU A 81 12.244 2.177 -86.936 1.00 0.00 N ATOM 706 CA LEU A 81 13.256 2.873 -87.721 1.00 0.00 C ATOM 707 C LEU A 81 14.471 3.222 -86.870 1.00 0.00 C ATOM 708 O LEU A 81 14.435 4.160 -86.074 1.00 0.00 O ATOM 709 CB LEU A 81 12.668 4.152 -88.330 1.00 0.00 C ATOM 710 CG LEU A 81 13.632 4.992 -89.177 1.00 0.00 C ATOM 711 CD1 LEU A 81 14.117 4.167 -90.363 1.00 0.00 C ATOM 712 CD2 LEU A 81 12.931 6.259 -89.642 1.00 0.00 C ATOM 0 H LEU A 81 11.808 2.747 -86.211 1.00 0.00 H new ATOM 0 HA LEU A 81 13.576 2.205 -88.520 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.814 3.878 -88.950 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.287 4.775 -87.521 1.00 0.00 H new ATOM 0 HG LEU A 81 14.498 5.279 -88.580 1.00 0.00 H new ATOM 0 HD11 LEU A 81 14.802 4.764 -90.965 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.633 3.277 -90.001 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.264 3.869 -90.972 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.617 6.855 -90.244 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.060 5.994 -90.241 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.613 6.838 -88.775 1.00 0.00 H new TER 724 LEU A 81 ATOM 725 N ASP B 38 9.836 13.107 -96.353 1.00 0.00 N ATOM 726 CA ASP B 38 10.310 13.794 -95.158 1.00 0.00 C ATOM 727 C ASP B 38 9.155 14.148 -94.230 1.00 0.00 C ATOM 728 O ASP B 38 9.344 14.317 -93.025 1.00 0.00 O ATOM 729 CB ASP B 38 11.074 15.066 -95.538 1.00 0.00 C ATOM 730 CG ASP B 38 12.424 14.776 -96.180 1.00 0.00 C ATOM 731 OD1 ASP B 38 12.884 13.664 -96.075 1.00 0.00 O ATOM 732 OD2 ASP B 38 12.983 15.670 -96.769 1.00 0.00 O ATOM 0 HA ASP B 38 10.981 13.115 -94.632 1.00 0.00 H new ATOM 0 HB2 ASP B 38 10.469 15.655 -96.227 1.00 0.00 H new ATOM 0 HB3 ASP B 38 11.225 15.674 -94.646 1.00 0.00 H new ATOM 737 N TYR B 39 7.959 14.256 -94.797 1.00 0.00 N ATOM 738 CA TYR B 39 6.787 14.680 -94.040 1.00 0.00 C ATOM 739 C TYR B 39 5.988 13.481 -93.547 1.00 0.00 C ATOM 740 O TYR B 39 5.568 12.635 -94.336 1.00 0.00 O ATOM 741 CB TYR B 39 5.903 15.594 -94.889 1.00 0.00 C ATOM 742 CG TYR B 39 6.542 16.924 -95.223 1.00 0.00 C ATOM 743 CD1 TYR B 39 7.316 17.054 -96.367 1.00 0.00 C ATOM 744 CD2 TYR B 39 6.354 18.014 -94.386 1.00 0.00 C ATOM 745 CE1 TYR B 39 7.900 18.267 -96.672 1.00 0.00 C ATOM 746 CE2 TYR B 39 6.938 19.228 -94.691 1.00 0.00 C ATOM 747 CZ TYR B 39 7.708 19.356 -95.829 1.00 0.00 C ATOM 748 OH TYR B 39 8.291 20.566 -96.133 1.00 0.00 O ATOM 0 H TYR B 39 7.775 14.055 -95.780 1.00 0.00 H new ATOM 0 HA TYR B 39 7.134 15.237 -93.170 1.00 0.00 H new ATOM 0 HB2 TYR B 39 5.650 15.080 -95.816 1.00 0.00 H new ATOM 0 HB3 TYR B 39 4.968 15.774 -94.359 1.00 0.00 H new ATOM 0 HD1 TYR B 39 7.462 16.206 -97.019 1.00 0.00 H new ATOM 0 HD2 TYR B 39 5.751 17.913 -93.496 1.00 0.00 H new ATOM 0 HE1 TYR B 39 8.504 18.370 -97.562 1.00 0.00 H new ATOM 0 HE2 TYR B 39 6.792 20.077 -94.039 1.00 0.00 H new ATOM 0 HH TYR B 39 8.058 21.223 -95.444 1.00 0.00 H new ATOM 758 N LEU B 40 5.779 13.413 -92.236 1.00 0.00 N ATOM 759 CA LEU B 40 5.026 12.319 -91.635 1.00 0.00 C ATOM 760 C LEU B 40 3.569 12.345 -92.079 1.00 0.00 C ATOM 761 O LEU B 40 2.986 11.306 -92.393 1.00 0.00 O ATOM 762 CB LEU B 40 5.102 12.401 -90.105 1.00 0.00 C ATOM 763 CG LEU B 40 4.331 11.316 -89.342 1.00 0.00 C ATOM 764 CD1 LEU B 40 4.870 9.944 -89.727 1.00 0.00 C ATOM 765 CD2 LEU B 40 4.464 11.555 -87.846 1.00 0.00 C ATOM 0 H LEU B 40 6.122 14.104 -91.569 1.00 0.00 H new ATOM 0 HA LEU B 40 5.471 11.382 -91.970 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.150 12.353 -89.808 1.00 0.00 H new ATOM 0 HB3 LEU B 40 4.727 13.375 -89.793 1.00 0.00 H new ATOM 0 HG LEU B 40 3.274 11.357 -89.604 1.00 0.00 H new ATOM 0 HD11 LEU B 40 4.323 9.173 -89.185 1.00 0.00 H new ATOM 0 HD12 LEU B 40 4.746 9.792 -90.799 1.00 0.00 H new ATOM 0 HD13 LEU B 40 5.928 9.884 -89.473 1.00 0.00 H new ATOM 0 HD21 LEU B 40 3.916 10.784 -87.304 1.00 0.00 H new ATOM 0 HD22 LEU B 40 5.516 11.519 -87.564 1.00 0.00 H new ATOM 0 HD23 LEU B 40 4.055 12.534 -87.596 1.00 0.00 H new ATOM 777 N PRO B 41 2.983 13.538 -92.104 1.00 0.00 N ATOM 778 CA PRO B 41 1.605 13.707 -92.547 1.00 0.00 C ATOM 779 C PRO B 41 1.371 13.023 -93.889 1.00 0.00 C ATOM 780 O PRO B 41 0.348 12.370 -94.093 1.00 0.00 O ATOM 781 CB PRO B 41 1.461 15.227 -92.654 1.00 0.00 C ATOM 782 CG PRO B 41 2.368 15.756 -91.597 1.00 0.00 C ATOM 783 CD PRO B 41 3.579 14.863 -91.662 1.00 0.00 C ATOM 0 HA PRO B 41 0.876 13.259 -91.872 1.00 0.00 H new ATOM 0 HB2 PRO B 41 1.749 15.586 -93.642 1.00 0.00 H new ATOM 0 HB3 PRO B 41 0.431 15.542 -92.489 1.00 0.00 H new ATOM 0 HG2 PRO B 41 2.631 16.797 -91.784 1.00 0.00 H new ATOM 0 HG3 PRO B 41 1.898 15.718 -90.614 1.00 0.00 H new ATOM 0 HD2 PRO B 41 4.319 15.233 -92.372 1.00 0.00 H new ATOM 0 HD3 PRO B 41 4.077 14.782 -90.696 1.00 0.00 H new ATOM 791 N THR B 42 2.324 13.180 -94.801 1.00 0.00 N ATOM 792 CA THR B 42 2.225 12.576 -96.124 1.00 0.00 C ATOM 793 C THR B 42 2.285 11.057 -96.041 1.00 0.00 C ATOM 794 O THR B 42 1.439 10.360 -96.602 1.00 0.00 O ATOM 795 CB THR B 42 3.342 13.088 -97.052 1.00 0.00 C ATOM 796 OG1 THR B 42 3.210 14.505 -97.227 1.00 0.00 O ATOM 797 CG2 THR B 42 3.263 12.404 -98.409 1.00 0.00 C ATOM 0 H THR B 42 3.175 13.721 -94.648 1.00 0.00 H new ATOM 0 HA THR B 42 1.260 12.867 -96.540 1.00 0.00 H new ATOM 0 HB THR B 42 4.305 12.859 -96.596 1.00 0.00 H new ATOM 0 HG1 THR B 42 3.923 14.830 -97.816 1.00 0.00 H new ATOM 0 HG21 THR B 42 4.060 12.778 -99.052 1.00 0.00 H new ATOM 0 HG22 THR B 42 3.375 11.327 -98.281 1.00 0.00 H new ATOM 0 HG23 THR B 42 2.297 12.616 -98.868 1.00 0.00 H new ATOM 805 N LEU B 43 3.292 10.547 -95.338 1.00 0.00 N ATOM 806 CA LEU B 43 3.408 9.113 -95.096 1.00 0.00 C ATOM 807 C LEU B 43 2.117 8.546 -94.519 1.00 0.00 C ATOM 808 O LEU B 43 1.603 7.535 -94.999 1.00 0.00 O ATOM 809 CB LEU B 43 4.572 8.831 -94.137 1.00 0.00 C ATOM 810 CG LEU B 43 4.780 7.359 -93.760 1.00 0.00 C ATOM 811 CD1 LEU B 43 5.104 6.554 -95.012 1.00 0.00 C ATOM 812 CD2 LEU B 43 5.900 7.251 -92.736 1.00 0.00 C ATOM 0 H LEU B 43 4.039 11.106 -94.926 1.00 0.00 H new ATOM 0 HA LEU B 43 3.600 8.626 -96.052 1.00 0.00 H new ATOM 0 HB2 LEU B 43 5.490 9.205 -94.590 1.00 0.00 H new ATOM 0 HB3 LEU B 43 4.412 9.402 -93.223 1.00 0.00 H new ATOM 0 HG LEU B 43 3.869 6.955 -93.318 1.00 0.00 H new ATOM 0 HD11 LEU B 43 5.252 5.508 -94.744 1.00 0.00 H new ATOM 0 HD12 LEU B 43 4.279 6.634 -95.720 1.00 0.00 H new ATOM 0 HD13 LEU B 43 6.014 6.943 -95.470 1.00 0.00 H new ATOM 0 HD21 LEU B 43 6.048 6.205 -92.468 1.00 0.00 H new ATOM 0 HD22 LEU B 43 6.821 7.651 -93.161 1.00 0.00 H new ATOM 0 HD23 LEU B 43 5.634 7.820 -91.845 1.00 0.00 H new ATOM 824 N ARG B 44 1.597 9.201 -93.487 1.00 0.00 N ATOM 825 CA ARG B 44 0.405 8.723 -92.798 1.00 0.00 C ATOM 826 C ARG B 44 -0.797 8.690 -93.734 1.00 0.00 C ATOM 827 O ARG B 44 -1.551 7.718 -93.757 1.00 0.00 O ATOM 828 CB ARG B 44 0.087 9.607 -91.602 1.00 0.00 C ATOM 829 CG ARG B 44 1.089 9.524 -90.461 1.00 0.00 C ATOM 830 CD ARG B 44 0.547 10.117 -89.211 1.00 0.00 C ATOM 831 NE ARG B 44 0.401 11.560 -89.314 1.00 0.00 N ATOM 832 CZ ARG B 44 -0.303 12.320 -88.453 1.00 0.00 C ATOM 833 NH1 ARG B 44 -0.918 11.763 -87.433 1.00 0.00 N ATOM 834 NH2 ARG B 44 -0.376 13.627 -88.634 1.00 0.00 N ATOM 0 H ARG B 44 1.983 10.066 -93.109 1.00 0.00 H new ATOM 0 HA ARG B 44 0.611 7.709 -92.455 1.00 0.00 H new ATOM 0 HB2 ARG B 44 0.027 10.642 -91.939 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -0.898 9.338 -91.221 1.00 0.00 H new ATOM 0 HG2 ARG B 44 1.354 8.482 -90.284 1.00 0.00 H new ATOM 0 HG3 ARG B 44 2.005 10.043 -90.743 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -0.421 9.669 -88.987 1.00 0.00 H new ATOM 0 HD3 ARG B 44 1.209 9.878 -88.379 1.00 0.00 H new ATOM 0 HE ARG B 44 0.864 12.029 -90.092 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -0.862 10.754 -87.293 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -1.451 12.340 -86.782 1.00 0.00 H new ATOM 0 HH21 ARG B 44 0.101 14.060 -89.425 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -0.909 14.203 -87.982 1.00 0.00 H new ATOM 848 N LYS B 45 -0.969 9.757 -94.506 1.00 0.00 N ATOM 849 CA LYS B 45 -2.050 9.831 -95.481 1.00 0.00 C ATOM 850 C LYS B 45 -2.031 8.631 -96.418 1.00 0.00 C ATOM 851 O LYS B 45 -3.044 7.957 -96.600 1.00 0.00 O ATOM 852 CB LYS B 45 -1.957 11.129 -96.287 1.00 0.00 C ATOM 853 CG LYS B 45 -3.030 11.283 -97.356 1.00 0.00 C ATOM 854 CD LYS B 45 -2.900 12.614 -98.082 1.00 0.00 C ATOM 855 CE LYS B 45 -4.026 12.812 -99.084 1.00 0.00 C ATOM 856 NZ LYS B 45 -3.903 11.894-100.249 1.00 0.00 N ATOM 0 H LYS B 45 -0.372 10.584 -94.475 1.00 0.00 H new ATOM 0 HA LYS B 45 -2.993 9.820 -94.934 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -2.021 11.974 -95.601 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -0.978 11.178 -96.763 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -2.952 10.466 -98.073 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -4.016 11.211 -96.897 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -2.909 13.428 -97.357 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -1.941 12.657 -98.598 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -4.984 12.646 -98.591 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -4.023 13.844 -99.434 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -4.596 12.162-100.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -2.943 11.961-100.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -4.084 10.917 -99.942 1.00 0.00 H new ATOM 870 N GLU B 46 -0.871 8.368 -97.011 1.00 0.00 N ATOM 871 CA GLU B 46 -0.717 7.246 -97.929 1.00 0.00 C ATOM 872 C GLU B 46 -1.078 5.928 -97.255 1.00 0.00 C ATOM 873 O GLU B 46 -1.750 5.082 -97.845 1.00 0.00 O ATOM 874 CB GLU B 46 0.706 7.193 -98.466 1.00 0.00 C ATOM 0 H GLU B 46 -0.023 8.918 -96.872 1.00 0.00 H new ATOM 0 HA GLU B 46 -1.403 7.397 -98.762 1.00 0.00 H new ATOM 879 N LEU B 47 -0.628 5.761 -96.016 1.00 0.00 N ATOM 880 CA LEU B 47 -0.843 4.518 -95.285 1.00 0.00 C ATOM 881 C LEU B 47 -2.314 4.334 -94.932 1.00 0.00 C ATOM 882 O LEU B 47 -2.827 3.215 -94.929 1.00 0.00 O ATOM 883 CB LEU B 47 0.003 4.503 -94.005 1.00 0.00 C ATOM 884 CG LEU B 47 1.519 4.400 -94.211 1.00 0.00 C ATOM 885 CD1 LEU B 47 2.228 4.618 -92.882 1.00 0.00 C ATOM 886 CD2 LEU B 47 1.861 3.038 -94.797 1.00 0.00 C ATOM 0 H LEU B 47 -0.112 6.471 -95.497 1.00 0.00 H new ATOM 0 HA LEU B 47 -0.539 3.693 -95.930 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -0.208 5.412 -93.442 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -0.319 3.664 -93.388 1.00 0.00 H new ATOM 0 HG LEU B 47 1.853 5.168 -94.909 1.00 0.00 H new ATOM 0 HD11 LEU B 47 3.306 4.545 -93.028 1.00 0.00 H new ATOM 0 HD12 LEU B 47 1.981 5.607 -92.495 1.00 0.00 H new ATOM 0 HD13 LEU B 47 1.906 3.859 -92.169 1.00 0.00 H new ATOM 0 HD21 LEU B 47 2.939 2.965 -94.943 1.00 0.00 H new ATOM 0 HD22 LEU B 47 1.534 2.255 -94.113 1.00 0.00 H new ATOM 0 HD23 LEU B 47 1.356 2.917 -95.755 1.00 0.00 H new ATOM 898 N MET B 48 -2.988 5.440 -94.634 1.00 0.00 N ATOM 899 CA MET B 48 -4.428 5.421 -94.407 1.00 0.00 C ATOM 900 C MET B 48 -5.174 4.930 -95.641 1.00 0.00 C ATOM 901 O MET B 48 -6.096 4.121 -95.539 1.00 0.00 O ATOM 902 CB MET B 48 -4.917 6.811 -94.006 1.00 0.00 C ATOM 903 CG MET B 48 -4.470 7.261 -92.622 1.00 0.00 C ATOM 904 SD MET B 48 -4.987 8.946 -92.238 1.00 0.00 S ATOM 905 CE MET B 48 -4.229 9.175 -90.632 1.00 0.00 C ATOM 0 H MET B 48 -2.559 6.361 -94.544 1.00 0.00 H new ATOM 0 HA MET B 48 -4.634 4.726 -93.593 1.00 0.00 H new ATOM 0 HB2 MET B 48 -4.563 7.533 -94.741 1.00 0.00 H new ATOM 0 HB3 MET B 48 -6.006 6.825 -94.045 1.00 0.00 H new ATOM 0 HG2 MET B 48 -4.877 6.581 -91.874 1.00 0.00 H new ATOM 0 HG3 MET B 48 -3.384 7.194 -92.556 1.00 0.00 H new ATOM 0 HE1 MET B 48 -4.760 9.956 -90.087 1.00 0.00 H new ATOM 0 HE2 MET B 48 -4.279 8.242 -90.070 1.00 0.00 H new ATOM 0 HE3 MET B 48 -3.186 9.466 -90.760 1.00 0.00 H new ATOM 915 N GLU B 49 -4.769 5.425 -96.806 1.00 0.00 N ATOM 916 CA GLU B 49 -5.382 5.017 -98.065 1.00 0.00 C ATOM 917 C GLU B 49 -5.191 3.527 -98.314 1.00 0.00 C ATOM 918 O GLU B 49 -6.108 2.841 -98.767 1.00 0.00 O ATOM 919 CB GLU B 49 -4.793 5.819 -99.228 1.00 0.00 C ATOM 920 CG GLU B 49 -5.147 7.299 -99.216 1.00 0.00 C ATOM 921 CD GLU B 49 -4.408 8.086-100.261 1.00 0.00 C ATOM 922 OE1 GLU B 49 -3.661 7.496-101.004 1.00 0.00 O ATOM 923 OE2 GLU B 49 -4.591 9.280-100.317 1.00 0.00 O ATOM 0 H GLU B 49 -4.019 6.109 -96.904 1.00 0.00 H new ATOM 0 HA GLU B 49 -6.451 5.218 -97.996 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -3.708 5.718 -99.210 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -5.139 5.383-100.165 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -6.219 7.412 -99.374 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -4.925 7.713 -98.232 1.00 0.00 H new ATOM 930 N VAL B 50 -3.996 3.031 -98.015 1.00 0.00 N ATOM 931 CA VAL B 50 -3.700 1.609 -98.152 1.00 0.00 C ATOM 932 C VAL B 50 -4.617 0.768 -97.273 1.00 0.00 C ATOM 933 O VAL B 50 -5.143 -0.255 -97.709 1.00 0.00 O ATOM 934 CB VAL B 50 -2.234 1.329 -97.775 1.00 0.00 C ATOM 935 CG1 VAL B 50 -1.991 -0.167 -97.652 1.00 0.00 C ATOM 936 CG2 VAL B 50 -1.306 1.942 -98.813 1.00 0.00 C ATOM 0 H VAL B 50 -3.215 3.593 -97.676 1.00 0.00 H new ATOM 0 HA VAL B 50 -3.868 1.335 -99.194 1.00 0.00 H new ATOM 0 HB VAL B 50 -2.025 1.785 -96.807 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -0.949 -0.346 -97.385 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -2.640 -0.579 -96.879 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -2.210 -0.651 -98.604 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -0.270 1.740 -98.540 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -1.515 1.507 -99.790 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -1.467 3.019 -98.854 1.00 0.00 H new ATOM 946 N LEU B 51 -4.804 1.207 -96.033 1.00 0.00 N ATOM 947 CA LEU B 51 -5.592 0.453 -95.065 1.00 0.00 C ATOM 948 C LEU B 51 -7.082 0.557 -95.366 1.00 0.00 C ATOM 949 O LEU B 51 -7.836 -0.390 -95.150 1.00 0.00 O ATOM 950 CB LEU B 51 -5.315 0.963 -93.644 1.00 0.00 C ATOM 951 CG LEU B 51 -3.901 0.702 -93.109 1.00 0.00 C ATOM 952 CD1 LEU B 51 -3.677 1.524 -91.846 1.00 0.00 C ATOM 953 CD2 LEU B 51 -3.729 -0.784 -92.832 1.00 0.00 C ATOM 0 H LEU B 51 -4.420 2.081 -95.674 1.00 0.00 H new ATOM 0 HA LEU B 51 -5.299 -0.594 -95.138 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -5.500 2.037 -93.620 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -6.032 0.501 -92.965 1.00 0.00 H new ATOM 0 HG LEU B 51 -3.160 1.001 -93.851 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -2.673 1.339 -91.465 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -3.788 2.583 -92.077 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -4.410 1.238 -91.091 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -2.724 -0.969 -92.452 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -4.462 -1.103 -92.091 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -3.877 -1.346 -93.754 1.00 0.00 H new ATOM 965 N SER B 52 -7.500 1.716 -95.867 1.00 0.00 N ATOM 966 CA SER B 52 -8.866 1.897 -96.342 1.00 0.00 C ATOM 967 C SER B 52 -9.225 0.856 -97.395 1.00 0.00 C ATOM 968 O SER B 52 -10.298 0.255 -97.346 1.00 0.00 O ATOM 969 CB SER B 52 -9.038 3.289 -96.916 1.00 0.00 C ATOM 970 OG SER B 52 -10.329 3.463 -97.433 1.00 0.00 O ATOM 0 H SER B 52 -6.911 2.544 -95.954 1.00 0.00 H new ATOM 0 HA SER B 52 -9.537 1.770 -95.493 1.00 0.00 H new ATOM 0 HB2 SER B 52 -8.850 4.032 -96.141 1.00 0.00 H new ATOM 0 HB3 SER B 52 -8.302 3.455 -97.702 1.00 0.00 H new ATOM 0 HG SER B 52 -10.988 3.145 -96.781 1.00 0.00 H new ATOM 976 N LYS B 53 -8.321 0.647 -98.346 1.00 0.00 N ATOM 977 CA LYS B 53 -8.603 -0.201 -99.498 1.00 0.00 C ATOM 978 C LYS B 53 -8.470 -1.676 -99.142 1.00 0.00 C ATOM 979 O LYS B 53 -9.138 -2.528 -99.727 1.00 0.00 O ATOM 980 CB LYS B 53 -7.672 0.146-100.660 1.00 0.00 C ATOM 981 CG LYS B 53 -7.930 1.509-101.289 1.00 0.00 C ATOM 982 CD LYS B 53 -6.947 1.795-102.414 1.00 0.00 C ATOM 983 CE LYS B 53 -7.203 3.157-103.041 1.00 0.00 C ATOM 984 NZ LYS B 53 -6.228 3.463-104.124 1.00 0.00 N ATOM 0 H LYS B 53 -7.386 1.054 -98.342 1.00 0.00 H new ATOM 0 HA LYS B 53 -9.633 -0.016 -99.803 1.00 0.00 H new ATOM 0 HB2 LYS B 53 -6.642 0.112-100.306 1.00 0.00 H new ATOM 0 HB3 LYS B 53 -7.770 -0.620-101.429 1.00 0.00 H new ATOM 0 HG2 LYS B 53 -8.949 1.546-101.675 1.00 0.00 H new ATOM 0 HG3 LYS B 53 -7.849 2.284-100.527 1.00 0.00 H new ATOM 0 HD2 LYS B 53 -5.928 1.756-102.028 1.00 0.00 H new ATOM 0 HD3 LYS B 53 -7.029 1.020-103.177 1.00 0.00 H new ATOM 0 HE2 LYS B 53 -8.215 3.186-103.445 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -7.145 3.927-102.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -6.437 4.400-104.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 -5.264 3.461-103.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 -6.301 2.743-104.871 1.00 0.00 H new ATOM 998 N TYR B 54 -7.603 -1.971 -98.180 1.00 0.00 N ATOM 999 CA TYR B 54 -7.328 -3.349 -97.793 1.00 0.00 C ATOM 1000 C TYR B 54 -8.416 -3.892 -96.874 1.00 0.00 C ATOM 1001 O TYR B 54 -8.989 -4.950 -97.132 1.00 0.00 O ATOM 1002 CB TYR B 54 -5.960 -3.452 -97.113 1.00 0.00 C ATOM 1003 CG TYR B 54 -4.794 -3.378 -98.074 1.00 0.00 C ATOM 1004 CD1 TYR B 54 -4.958 -2.789 -99.319 1.00 0.00 C ATOM 1005 CD2 TYR B 54 -3.561 -3.899 -97.710 1.00 0.00 C ATOM 1006 CE1 TYR B 54 -3.892 -2.720-100.196 1.00 0.00 C ATOM 1007 CE2 TYR B 54 -2.497 -3.831 -98.587 1.00 0.00 C ATOM 1008 CZ TYR B 54 -2.659 -3.244 -99.826 1.00 0.00 C ATOM 1009 OH TYR B 54 -1.599 -3.177-100.699 1.00 0.00 O ATOM 0 H TYR B 54 -7.078 -1.273 -97.653 1.00 0.00 H new ATOM 0 HA TYR B 54 -7.317 -3.954 -98.699 1.00 0.00 H new ATOM 0 HB2 TYR B 54 -5.867 -2.650 -96.381 1.00 0.00 H new ATOM 0 HB3 TYR B 54 -5.907 -4.392 -96.564 1.00 0.00 H new ATOM 0 HD1 TYR B 54 -5.918 -2.384 -99.603 1.00 0.00 H new ATOM 0 HD2 TYR B 54 -3.433 -4.358 -96.741 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -4.017 -2.261-101.165 1.00 0.00 H new ATOM 0 HE2 TYR B 54 -1.537 -4.237 -98.304 1.00 0.00 H new ATOM 0 HH TYR B 54 -0.810 -3.587-100.287 1.00 0.00 H new ATOM 1019 N VAL B 55 -8.695 -3.159 -95.801 1.00 0.00 N ATOM 1020 CA VAL B 55 -9.614 -3.630 -94.771 1.00 0.00 C ATOM 1021 C VAL B 55 -11.044 -3.201 -95.071 1.00 0.00 C ATOM 1022 O VAL B 55 -11.980 -3.603 -94.380 1.00 0.00 O ATOM 1023 CB VAL B 55 -9.195 -3.085 -93.393 1.00 0.00 C ATOM 1024 CG1 VAL B 55 -10.182 -3.527 -92.323 1.00 0.00 C ATOM 1025 CG2 VAL B 55 -7.788 -3.553 -93.056 1.00 0.00 C ATOM 0 H VAL B 55 -8.298 -2.237 -95.622 1.00 0.00 H new ATOM 0 HA VAL B 55 -9.572 -4.719 -94.761 1.00 0.00 H new ATOM 0 HB VAL B 55 -9.200 -1.996 -93.427 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -9.871 -3.133 -91.356 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -11.175 -3.149 -92.566 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -10.208 -4.616 -92.280 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -7.499 -3.163 -92.080 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -7.762 -4.642 -93.034 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -7.093 -3.189 -93.812 1.00 0.00 H new ATOM 1035 N ASN B 56 -11.207 -2.382 -96.104 1.00 0.00 N ATOM 1036 CA ASN B 56 -12.524 -1.893 -96.494 1.00 0.00 C ATOM 1037 C ASN B 56 -13.099 -0.959 -95.437 1.00 0.00 C ATOM 1038 O ASN B 56 -14.296 -0.996 -95.148 1.00 0.00 O ATOM 1039 CB ASN B 56 -13.469 -3.052 -96.754 1.00 0.00 C ATOM 1040 CG ASN B 56 -14.645 -2.658 -97.604 1.00 0.00 C ATOM 1041 OD1 ASN B 56 -14.524 -1.817 -98.502 1.00 0.00 O ATOM 1042 ND2 ASN B 56 -15.782 -3.250 -97.338 1.00 0.00 N ATOM 0 H ASN B 56 -10.442 -2.042 -96.687 1.00 0.00 H new ATOM 0 HA ASN B 56 -12.411 -1.325 -97.418 1.00 0.00 H new ATOM 0 HB2 ASN B 56 -12.924 -3.858 -97.245 1.00 0.00 H new ATOM 0 HB3 ASN B 56 -13.828 -3.444 -95.802 1.00 0.00 H new ATOM 0 HD21 ASN B 56 -16.615 -3.023 -97.882 1.00 0.00 H new ATOM 0 HD22 ASN B 56 -15.835 -3.938 -96.587 1.00 0.00 H new ATOM 1049 N VAL B 57 -12.241 -0.123 -94.863 1.00 0.00 N ATOM 1050 CA VAL B 57 -12.682 0.908 -93.932 1.00 0.00 C ATOM 1051 C VAL B 57 -12.419 2.302 -94.487 1.00 0.00 C ATOM 1052 O VAL B 57 -11.758 2.457 -95.514 1.00 0.00 O ATOM 1053 CB VAL B 57 -11.960 0.752 -92.581 1.00 0.00 C ATOM 1054 CG1 VAL B 57 -12.298 -0.589 -91.947 1.00 0.00 C ATOM 1055 CG2 VAL B 57 -10.458 0.893 -92.778 1.00 0.00 C ATOM 0 H VAL B 57 -11.234 -0.140 -95.027 1.00 0.00 H new ATOM 0 HA VAL B 57 -13.756 0.787 -93.789 1.00 0.00 H new ATOM 0 HB VAL B 57 -12.299 1.538 -91.906 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -11.779 -0.682 -90.993 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -13.374 -0.653 -91.782 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -11.984 -1.395 -92.611 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -9.953 0.782 -91.818 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -10.107 0.122 -93.464 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -10.236 1.876 -93.193 1.00 0.00 H new ATOM 1065 N SER B 58 -12.940 3.314 -93.802 1.00 0.00 N ATOM 1066 CA SER B 58 -12.740 4.700 -94.212 1.00 0.00 C ATOM 1067 C SER B 58 -11.527 5.309 -93.521 1.00 0.00 C ATOM 1068 O SER B 58 -10.946 4.704 -92.619 1.00 0.00 O ATOM 1069 CB SER B 58 -13.977 5.520 -93.899 1.00 0.00 C ATOM 1070 OG SER B 58 -14.133 5.684 -92.516 1.00 0.00 O ATOM 0 H SER B 58 -13.504 3.201 -92.960 1.00 0.00 H new ATOM 0 HA SER B 58 -12.562 4.711 -95.287 1.00 0.00 H new ATOM 0 HB2 SER B 58 -13.902 6.496 -94.379 1.00 0.00 H new ATOM 0 HB3 SER B 58 -14.858 5.029 -94.312 1.00 0.00 H new ATOM 0 HG SER B 58 -14.160 4.805 -92.083 1.00 0.00 H new ATOM 1076 N LEU B 59 -11.148 6.508 -93.949 1.00 0.00 N ATOM 1077 CA LEU B 59 -9.987 7.190 -93.390 1.00 0.00 C ATOM 1078 C LEU B 59 -10.179 7.476 -91.906 1.00 0.00 C ATOM 1079 O LEU B 59 -9.218 7.489 -91.137 1.00 0.00 O ATOM 1080 CB LEU B 59 -9.732 8.503 -94.141 1.00 0.00 C ATOM 1081 CG LEU B 59 -9.324 8.358 -95.613 1.00 0.00 C ATOM 1082 CD1 LEU B 59 -9.249 9.737 -96.257 1.00 0.00 C ATOM 1083 CD2 LEU B 59 -7.987 7.639 -95.702 1.00 0.00 C ATOM 0 H LEU B 59 -11.629 7.028 -94.683 1.00 0.00 H new ATOM 0 HA LEU B 59 -9.125 6.533 -93.505 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -10.636 9.110 -94.092 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -8.949 9.053 -93.618 1.00 0.00 H new ATOM 0 HG LEU B 59 -10.067 7.767 -96.149 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -8.959 9.635 -97.303 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -10.224 10.220 -96.196 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -8.510 10.343 -95.733 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -7.698 7.536 -96.748 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -7.229 8.214 -95.171 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -8.075 6.650 -95.251 1.00 0.00 H new ATOM 1095 N ASP B 60 -11.426 7.705 -91.508 1.00 0.00 N ATOM 1096 CA ASP B 60 -11.738 8.061 -90.129 1.00 0.00 C ATOM 1097 C ASP B 60 -11.574 6.865 -89.201 1.00 0.00 C ATOM 1098 O ASP B 60 -11.567 7.012 -87.979 1.00 0.00 O ATOM 1099 CB ASP B 60 -13.165 8.604 -90.025 1.00 0.00 C ATOM 1100 CG ASP B 60 -13.328 9.972 -90.675 1.00 0.00 C ATOM 1101 OD1 ASP B 60 -12.334 10.611 -90.924 1.00 0.00 O ATOM 1102 OD2 ASP B 60 -14.444 10.364 -90.916 1.00 0.00 O ATOM 0 H ASP B 60 -12.238 7.650 -92.122 1.00 0.00 H new ATOM 0 HA ASP B 60 -11.036 8.836 -89.821 1.00 0.00 H new ATOM 0 HB2 ASP B 60 -13.851 7.900 -90.495 1.00 0.00 H new ATOM 0 HB3 ASP B 60 -13.447 8.671 -88.974 1.00 0.00 H new ATOM 1107 N ASN B 61 -11.441 5.680 -89.788 1.00 0.00 N ATOM 1108 CA ASN B 61 -11.292 4.454 -89.014 1.00 0.00 C ATOM 1109 C ASN B 61 -9.826 4.065 -88.874 1.00 0.00 C ATOM 1110 O ASN B 61 -9.504 2.982 -88.385 1.00 0.00 O ATOM 1111 CB ASN B 61 -12.086 3.325 -89.644 1.00 0.00 C ATOM 1112 CG ASN B 61 -13.566 3.464 -89.420 1.00 0.00 C ATOM 1113 OD1 ASN B 61 -14.256 3.999 -90.395 1.00 0.00 O flip ATOM 1114 ND2 ASN B 61 -14.085 3.085 -88.364 1.00 0.00 N flip ATOM 0 H ASN B 61 -11.433 5.543 -90.799 1.00 0.00 H new ATOM 0 HA ASN B 61 -11.686 4.639 -88.015 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -11.885 3.298 -90.715 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -11.748 2.374 -89.232 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -13.507 2.673 -87.631 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -15.091 3.184 -88.226 1.00 0.00 H new ATOM 1121 N ILE B 62 -8.940 4.956 -89.305 1.00 0.00 N ATOM 1122 CA ILE B 62 -7.504 4.724 -89.194 1.00 0.00 C ATOM 1123 C ILE B 62 -6.858 5.718 -88.237 1.00 0.00 C ATOM 1124 O ILE B 62 -7.134 6.916 -88.292 1.00 0.00 O ATOM 1125 CB ILE B 62 -6.824 4.821 -90.572 1.00 0.00 C ATOM 1126 CG1 ILE B 62 -7.538 3.920 -91.584 1.00 0.00 C ATOM 1127 CG2 ILE B 62 -5.354 4.448 -90.467 1.00 0.00 C ATOM 1128 CD1 ILE B 62 -7.474 2.449 -91.243 1.00 0.00 C ATOM 0 H ILE B 62 -9.191 5.846 -89.735 1.00 0.00 H new ATOM 0 HA ILE B 62 -7.367 3.717 -88.799 1.00 0.00 H new ATOM 0 HB ILE B 62 -6.892 5.852 -90.921 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -8.583 4.223 -91.652 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -7.097 4.075 -92.569 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -4.889 4.522 -91.450 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -4.854 5.128 -89.777 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -5.263 3.426 -90.099 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -8.001 1.876 -92.005 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -6.433 2.129 -91.204 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -7.942 2.280 -90.273 1.00 0.00 H new ATOM 1140 N ARG B 63 -5.997 5.213 -87.361 1.00 0.00 N ATOM 1141 CA ARG B 63 -5.199 6.069 -86.491 1.00 0.00 C ATOM 1142 C ARG B 63 -3.712 5.767 -86.634 1.00 0.00 C ATOM 1143 O ARG B 63 -3.278 4.632 -86.440 1.00 0.00 O ATOM 1144 CB ARG B 63 -5.612 5.888 -85.038 1.00 0.00 C ATOM 1145 CG ARG B 63 -7.038 6.311 -84.721 1.00 0.00 C ATOM 1146 CD ARG B 63 -7.205 7.784 -84.808 1.00 0.00 C ATOM 1147 NE ARG B 63 -8.556 8.198 -84.459 1.00 0.00 N ATOM 1148 CZ ARG B 63 -9.589 8.239 -85.322 1.00 0.00 C ATOM 1149 NH1 ARG B 63 -9.413 7.889 -86.577 1.00 0.00 N ATOM 1150 NH2 ARG B 63 -10.782 8.630 -84.907 1.00 0.00 N ATOM 0 H ARG B 63 -5.834 4.214 -87.234 1.00 0.00 H new ATOM 0 HA ARG B 63 -5.378 7.101 -86.793 1.00 0.00 H new ATOM 0 HB2 ARG B 63 -5.491 4.839 -84.769 1.00 0.00 H new ATOM 0 HB3 ARG B 63 -4.930 6.459 -84.408 1.00 0.00 H new ATOM 0 HG2 ARG B 63 -7.725 5.825 -85.414 1.00 0.00 H new ATOM 0 HG3 ARG B 63 -7.304 5.973 -83.719 1.00 0.00 H new ATOM 0 HD2 ARG B 63 -6.493 8.270 -84.142 1.00 0.00 H new ATOM 0 HD3 ARG B 63 -6.973 8.117 -85.820 1.00 0.00 H new ATOM 0 HE ARG B 63 -8.733 8.476 -83.494 1.00 0.00 H new ATOM 0 HH11 ARG B 63 -8.493 7.586 -86.898 1.00 0.00 H new ATOM 0 HH12 ARG B 63 -10.196 7.920 -87.230 1.00 0.00 H new ATOM 0 HH21 ARG B 63 -10.920 8.901 -83.933 1.00 0.00 H new ATOM 0 HH22 ARG B 63 -11.564 8.661 -85.561 1.00 0.00 H new ATOM 1164 N ILE B 64 -2.937 6.791 -86.976 1.00 0.00 N ATOM 1165 CA ILE B 64 -1.499 6.633 -87.163 1.00 0.00 C ATOM 1166 C ILE B 64 -0.723 7.691 -86.389 1.00 0.00 C ATOM 1167 O ILE B 64 -1.013 8.884 -86.491 1.00 0.00 O ATOM 1168 CB ILE B 64 -1.127 6.712 -88.655 1.00 0.00 C ATOM 1169 CG1 ILE B 64 -1.931 5.687 -89.460 1.00 0.00 C ATOM 1170 CG2 ILE B 64 0.365 6.489 -88.844 1.00 0.00 C ATOM 1171 CD1 ILE B 64 -1.686 5.754 -90.951 1.00 0.00 C ATOM 0 H ILE B 64 -3.280 7.739 -87.129 1.00 0.00 H new ATOM 0 HA ILE B 64 -1.229 5.649 -86.780 1.00 0.00 H new ATOM 0 HB ILE B 64 -1.374 7.708 -89.022 1.00 0.00 H new ATOM 0 HG12 ILE B 64 -1.685 4.686 -89.105 1.00 0.00 H new ATOM 0 HG13 ILE B 64 -2.993 5.841 -89.268 1.00 0.00 H new ATOM 0 HG21 ILE B 64 0.610 6.548 -89.904 1.00 0.00 H new ATOM 0 HG22 ILE B 64 0.919 7.254 -88.300 1.00 0.00 H new ATOM 0 HG23 ILE B 64 0.637 5.505 -88.463 1.00 0.00 H new ATOM 0 HD11 ILE B 64 -2.290 4.998 -91.453 1.00 0.00 H new ATOM 0 HD12 ILE B 64 -1.960 6.742 -91.321 1.00 0.00 H new ATOM 0 HD13 ILE B 64 -0.631 5.570 -91.155 1.00 0.00 H new ATOM 1183 N SER B 65 0.262 7.249 -85.616 1.00 0.00 N ATOM 1184 CA SER B 65 1.050 8.152 -84.787 1.00 0.00 C ATOM 1185 C SER B 65 2.481 7.652 -84.633 1.00 0.00 C ATOM 1186 O SER B 65 2.717 6.452 -84.494 1.00 0.00 O ATOM 1187 CB SER B 65 0.408 8.304 -83.422 1.00 0.00 C ATOM 1188 OG SER B 65 1.171 9.142 -82.598 1.00 0.00 O ATOM 0 H SER B 65 0.534 6.268 -85.546 1.00 0.00 H new ATOM 0 HA SER B 65 1.079 9.123 -85.282 1.00 0.00 H new ATOM 0 HB2 SER B 65 -0.596 8.713 -83.532 1.00 0.00 H new ATOM 0 HB3 SER B 65 0.304 7.325 -82.954 1.00 0.00 H new ATOM 0 HG SER B 65 0.736 9.226 -81.724 1.00 0.00 H new ATOM 1194 N GLN B 66 3.433 8.578 -84.660 1.00 0.00 N ATOM 1195 CA GLN B 66 4.842 8.234 -84.517 1.00 0.00 C ATOM 1196 C GLN B 66 5.395 8.716 -83.182 1.00 0.00 C ATOM 1197 O GLN B 66 5.048 9.800 -82.712 1.00 0.00 O ATOM 1198 CB GLN B 66 5.659 8.829 -85.667 1.00 0.00 C ATOM 1199 CG GLN B 66 7.123 8.425 -85.665 1.00 0.00 C ATOM 1200 CD GLN B 66 7.875 8.968 -86.865 1.00 0.00 C ATOM 1201 OE1 GLN B 66 8.018 10.183 -87.028 1.00 0.00 O ATOM 1202 NE2 GLN B 66 8.362 8.069 -87.713 1.00 0.00 N ATOM 0 H GLN B 66 3.253 9.575 -84.780 1.00 0.00 H new ATOM 0 HA GLN B 66 4.923 7.147 -84.548 1.00 0.00 H new ATOM 0 HB2 GLN B 66 5.211 8.523 -86.612 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.594 9.916 -85.620 1.00 0.00 H new ATOM 0 HG2 GLN B 66 7.595 8.785 -84.751 1.00 0.00 H new ATOM 0 HG3 GLN B 66 7.197 7.338 -85.655 1.00 0.00 H new ATOM 0 HE21 GLN B 66 8.220 7.074 -87.539 1.00 0.00 H new ATOM 0 HE22 GLN B 66 8.878 8.374 -88.538 1.00 0.00 H new ATOM 1211 N GLU B 67 6.255 7.906 -82.576 1.00 0.00 N ATOM 1212 CA GLU B 67 6.815 8.222 -81.267 1.00 0.00 C ATOM 1213 C GLU B 67 8.297 7.880 -81.204 1.00 0.00 C ATOM 1214 O GLU B 67 8.723 6.831 -81.689 1.00 0.00 O ATOM 1215 CB GLU B 67 6.060 7.471 -80.168 1.00 0.00 C ATOM 1216 CG GLU B 67 6.502 7.815 -78.753 1.00 0.00 C ATOM 1217 CD GLU B 67 5.679 7.129 -77.700 1.00 0.00 C ATOM 1218 OE1 GLU B 67 4.823 6.354 -78.053 1.00 0.00 O ATOM 1219 OE2 GLU B 67 5.906 7.381 -76.539 1.00 0.00 O ATOM 0 H GLU B 67 6.580 7.024 -82.971 1.00 0.00 H new ATOM 0 HA GLU B 67 6.704 9.295 -81.108 1.00 0.00 H new ATOM 0 HB2 GLU B 67 4.995 7.684 -80.265 1.00 0.00 H new ATOM 0 HB3 GLU B 67 6.186 6.400 -80.325 1.00 0.00 H new ATOM 0 HG2 GLU B 67 7.548 7.537 -78.627 1.00 0.00 H new ATOM 0 HG3 GLU B 67 6.439 8.894 -78.610 1.00 0.00 H new ATOM 1226 N LYS B 68 9.080 8.769 -80.603 1.00 0.00 N ATOM 1227 CA LYS B 68 10.514 8.549 -80.452 1.00 0.00 C ATOM 1228 C LYS B 68 10.837 7.941 -79.093 1.00 0.00 C ATOM 1229 O LYS B 68 10.448 8.477 -78.055 1.00 0.00 O ATOM 1230 CB LYS B 68 11.279 9.860 -80.637 1.00 0.00 C ATOM 1231 CG LYS B 68 12.795 9.715 -80.599 1.00 0.00 C ATOM 1232 CD LYS B 68 13.485 11.041 -80.879 1.00 0.00 C ATOM 1233 CE LYS B 68 14.999 10.900 -80.830 1.00 0.00 C ATOM 1234 NZ LYS B 68 15.687 12.187 -81.118 1.00 0.00 N ATOM 0 H LYS B 68 8.746 9.650 -80.212 1.00 0.00 H new ATOM 0 HA LYS B 68 10.827 7.845 -81.223 1.00 0.00 H new ATOM 0 HB2 LYS B 68 10.992 10.302 -81.591 1.00 0.00 H new ATOM 0 HB3 LYS B 68 10.973 10.558 -79.858 1.00 0.00 H new ATOM 0 HG2 LYS B 68 13.102 9.342 -79.622 1.00 0.00 H new ATOM 0 HG3 LYS B 68 13.110 8.976 -81.336 1.00 0.00 H new ATOM 0 HD2 LYS B 68 13.184 11.410 -81.860 1.00 0.00 H new ATOM 0 HD3 LYS B 68 13.163 11.782 -80.147 1.00 0.00 H new ATOM 0 HE2 LYS B 68 15.298 10.541 -79.845 1.00 0.00 H new ATOM 0 HE3 LYS B 68 15.317 10.149 -81.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 16.717 12.047 -81.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 15.422 12.517 -82.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 15.404 12.897 -80.413 1.00 0.00 H new ATOM 1248 N GLN B 69 11.550 6.821 -79.106 1.00 0.00 N ATOM 1249 CA GLN B 69 11.869 6.100 -77.879 1.00 0.00 C ATOM 1250 C GLN B 69 13.271 5.508 -77.936 1.00 0.00 C ATOM 1251 O GLN B 69 13.618 4.799 -78.881 1.00 0.00 O ATOM 1252 CB GLN B 69 10.843 4.992 -77.627 1.00 0.00 C ATOM 1253 CG GLN B 69 11.116 4.163 -76.383 1.00 0.00 C ATOM 1254 CD GLN B 69 10.902 4.951 -75.104 1.00 0.00 C ATOM 1255 OE1 GLN B 69 9.843 5.547 -74.895 1.00 0.00 O ATOM 1256 NE2 GLN B 69 11.911 4.959 -74.240 1.00 0.00 N ATOM 0 H GLN B 69 11.919 6.391 -79.954 1.00 0.00 H new ATOM 0 HA GLN B 69 11.832 6.813 -77.055 1.00 0.00 H new ATOM 0 HB2 GLN B 69 9.853 5.441 -77.541 1.00 0.00 H new ATOM 0 HB3 GLN B 69 10.819 4.331 -78.493 1.00 0.00 H new ATOM 0 HG2 GLN B 69 10.464 3.289 -76.382 1.00 0.00 H new ATOM 0 HG3 GLN B 69 12.142 3.795 -76.413 1.00 0.00 H new ATOM 0 HE21 GLN B 69 12.770 4.452 -74.454 1.00 0.00 H new ATOM 0 HE22 GLN B 69 11.827 5.472 -73.363 1.00 0.00 H new ATOM 1265 N ASP B 70 14.074 5.804 -76.920 1.00 0.00 N ATOM 1266 CA ASP B 70 15.450 5.325 -76.867 1.00 0.00 C ATOM 1267 C ASP B 70 16.263 5.855 -78.041 1.00 0.00 C ATOM 1268 O ASP B 70 17.275 5.268 -78.423 1.00 0.00 O ATOM 1269 CB ASP B 70 15.487 3.794 -76.863 1.00 0.00 C ATOM 1270 CG ASP B 70 14.767 3.189 -75.666 1.00 0.00 C ATOM 1271 OD1 ASP B 70 14.613 3.871 -74.681 1.00 0.00 O ATOM 1272 OD2 ASP B 70 14.377 2.048 -75.748 1.00 0.00 O ATOM 0 H ASP B 70 13.795 6.374 -76.121 1.00 0.00 H new ATOM 0 HA ASP B 70 15.893 5.696 -75.943 1.00 0.00 H new ATOM 0 HB2 ASP B 70 15.032 3.422 -77.781 1.00 0.00 H new ATOM 0 HB3 ASP B 70 16.525 3.460 -76.864 1.00 0.00 H new ATOM 1277 N GLY B 71 15.814 6.968 -78.611 1.00 0.00 N ATOM 1278 CA GLY B 71 16.574 7.661 -79.644 1.00 0.00 C ATOM 1279 C GLY B 71 16.156 7.204 -81.036 1.00 0.00 C ATOM 1280 O GLY B 71 16.656 7.707 -82.041 1.00 0.00 O ATOM 0 H GLY B 71 14.926 7.410 -78.374 1.00 0.00 H new ATOM 0 HA2 GLY B 71 16.423 8.736 -79.551 1.00 0.00 H new ATOM 0 HA3 GLY B 71 17.639 7.476 -79.502 1.00 0.00 H new ATOM 1284 N MET B 72 15.235 6.248 -81.087 1.00 0.00 N ATOM 1285 CA MET B 72 14.766 5.703 -82.356 1.00 0.00 C ATOM 1286 C MET B 72 13.282 5.982 -82.560 1.00 0.00 C ATOM 1287 O MET B 72 12.535 6.152 -81.596 1.00 0.00 O ATOM 1288 CB MET B 72 15.039 4.202 -82.419 1.00 0.00 C ATOM 1289 CG MET B 72 16.515 3.829 -82.382 1.00 0.00 C ATOM 1290 SD MET B 72 16.788 2.055 -82.564 1.00 0.00 S ATOM 1291 CE MET B 72 18.577 1.986 -82.563 1.00 0.00 C ATOM 0 H MET B 72 14.798 5.834 -80.264 1.00 0.00 H new ATOM 0 HA MET B 72 15.314 6.196 -83.159 1.00 0.00 H new ATOM 0 HB2 MET B 72 14.533 3.718 -81.584 1.00 0.00 H new ATOM 0 HB3 MET B 72 14.599 3.803 -83.333 1.00 0.00 H new ATOM 0 HG2 MET B 72 17.039 4.357 -83.179 1.00 0.00 H new ATOM 0 HG3 MET B 72 16.947 4.164 -81.439 1.00 0.00 H new ATOM 0 HE1 MET B 72 18.901 0.951 -82.668 1.00 0.00 H new ATOM 0 HE2 MET B 72 18.964 2.574 -83.395 1.00 0.00 H new ATOM 0 HE3 MET B 72 18.956 2.391 -81.625 1.00 0.00 H new ATOM 1301 N ASP B 73 12.862 6.029 -83.819 1.00 0.00 N ATOM 1302 CA ASP B 73 11.485 6.370 -84.155 1.00 0.00 C ATOM 1303 C ASP B 73 10.675 5.125 -84.491 1.00 0.00 C ATOM 1304 O ASP B 73 11.122 4.270 -85.255 1.00 0.00 O ATOM 1305 CB ASP B 73 11.446 7.346 -85.334 1.00 0.00 C ATOM 1306 CG ASP B 73 11.996 8.721 -84.984 1.00 0.00 C ATOM 1307 OD1 ASP B 73 11.951 9.081 -83.831 1.00 0.00 O ATOM 1308 OD2 ASP B 73 12.456 9.398 -85.872 1.00 0.00 O ATOM 0 H ASP B 73 13.456 5.835 -84.625 1.00 0.00 H new ATOM 0 HA ASP B 73 11.040 6.846 -83.281 1.00 0.00 H new ATOM 0 HB2 ASP B 73 12.021 6.931 -86.162 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.417 7.449 -85.680 1.00 0.00 H new ATOM 1313 N VAL B 74 9.480 5.029 -83.916 1.00 0.00 N ATOM 1314 CA VAL B 74 8.567 3.935 -84.225 1.00 0.00 C ATOM 1315 C VAL B 74 7.196 4.461 -84.633 1.00 0.00 C ATOM 1316 O VAL B 74 6.614 5.302 -83.948 1.00 0.00 O ATOM 1317 CB VAL B 74 8.415 3.006 -83.006 1.00 0.00 C ATOM 1318 CG1 VAL B 74 7.411 1.902 -83.301 1.00 0.00 C ATOM 1319 CG2 VAL B 74 9.767 2.419 -82.630 1.00 0.00 C ATOM 0 H VAL B 74 9.122 5.696 -83.233 1.00 0.00 H new ATOM 0 HA VAL B 74 8.989 3.376 -85.060 1.00 0.00 H new ATOM 0 HB VAL B 74 8.041 3.587 -82.163 1.00 0.00 H new ATOM 0 HG11 VAL B 74 7.316 1.255 -82.429 1.00 0.00 H new ATOM 0 HG12 VAL B 74 6.442 2.344 -83.533 1.00 0.00 H new ATOM 0 HG13 VAL B 74 7.755 1.315 -84.153 1.00 0.00 H new ATOM 0 HG21 VAL B 74 9.652 1.763 -81.767 1.00 0.00 H new ATOM 0 HG22 VAL B 74 10.162 1.848 -83.470 1.00 0.00 H new ATOM 0 HG23 VAL B 74 10.458 3.225 -82.383 1.00 0.00 H new ATOM 1329 N LEU B 75 6.686 3.961 -85.752 1.00 0.00 N ATOM 1330 CA LEU B 75 5.373 4.363 -86.243 1.00 0.00 C ATOM 1331 C LEU B 75 4.312 3.327 -85.892 1.00 0.00 C ATOM 1332 O LEU B 75 4.540 2.124 -86.020 1.00 0.00 O ATOM 1333 CB LEU B 75 5.414 4.567 -87.762 1.00 0.00 C ATOM 1334 CG LEU B 75 4.128 5.110 -88.396 1.00 0.00 C ATOM 1335 CD1 LEU B 75 3.893 6.539 -87.926 1.00 0.00 C ATOM 1336 CD2 LEU B 75 4.241 5.045 -89.912 1.00 0.00 C ATOM 0 H LEU B 75 7.162 3.275 -86.338 1.00 0.00 H new ATOM 0 HA LEU B 75 5.109 5.303 -85.759 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.229 5.251 -87.996 1.00 0.00 H new ATOM 0 HB3 LEU B 75 5.654 3.613 -88.232 1.00 0.00 H new ATOM 0 HG LEU B 75 3.277 4.502 -88.089 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.979 6.925 -88.377 1.00 0.00 H new ATOM 0 HD12 LEU B 75 3.796 6.554 -86.840 1.00 0.00 H new ATOM 0 HD13 LEU B 75 4.736 7.163 -88.224 1.00 0.00 H new ATOM 0 HD21 LEU B 75 3.326 5.431 -90.362 1.00 0.00 H new ATOM 0 HD22 LEU B 75 5.089 5.647 -90.240 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.389 4.010 -90.222 1.00 0.00 H new ATOM 1348 N GLU B 76 3.153 3.801 -85.449 1.00 0.00 N ATOM 1349 CA GLU B 76 2.087 2.916 -84.993 1.00 0.00 C ATOM 1350 C GLU B 76 0.796 3.169 -85.760 1.00 0.00 C ATOM 1351 O GLU B 76 0.365 4.314 -85.910 1.00 0.00 O ATOM 1352 CB GLU B 76 1.846 3.101 -83.494 1.00 0.00 C ATOM 1353 CG GLU B 76 0.692 2.280 -82.937 1.00 0.00 C ATOM 1354 CD GLU B 76 0.444 2.532 -81.476 1.00 0.00 C ATOM 1355 OE1 GLU B 76 1.366 2.912 -80.794 1.00 0.00 O ATOM 1356 OE2 GLU B 76 -0.667 2.345 -81.041 1.00 0.00 O ATOM 0 H GLU B 76 2.927 4.794 -85.396 1.00 0.00 H new ATOM 0 HA GLU B 76 2.402 1.890 -85.181 1.00 0.00 H new ATOM 0 HB2 GLU B 76 2.757 2.837 -82.957 1.00 0.00 H new ATOM 0 HB3 GLU B 76 1.654 4.156 -83.297 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -0.214 2.509 -83.498 1.00 0.00 H new ATOM 0 HG3 GLU B 76 0.901 1.221 -83.087 1.00 0.00 H new ATOM 1363 N LEU B 77 0.181 2.096 -86.245 1.00 0.00 N ATOM 1364 CA LEU B 77 -1.093 2.194 -86.947 1.00 0.00 C ATOM 1365 C LEU B 77 -2.161 1.345 -86.269 1.00 0.00 C ATOM 1366 O LEU B 77 -1.890 0.232 -85.819 1.00 0.00 O ATOM 1367 CB LEU B 77 -0.930 1.752 -88.406 1.00 0.00 C ATOM 1368 CG LEU B 77 0.041 2.588 -89.250 1.00 0.00 C ATOM 1369 CD1 LEU B 77 1.459 2.064 -89.063 1.00 0.00 C ATOM 1370 CD2 LEU B 77 -0.375 2.529 -90.712 1.00 0.00 C ATOM 0 H LEU B 77 0.545 1.147 -86.165 1.00 0.00 H new ATOM 0 HA LEU B 77 -1.412 3.236 -86.918 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -0.592 0.716 -88.417 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -1.909 1.773 -88.884 1.00 0.00 H new ATOM 0 HG LEU B 77 0.013 3.629 -88.927 1.00 0.00 H new ATOM 0 HD11 LEU B 77 2.148 2.658 -89.663 1.00 0.00 H new ATOM 0 HD12 LEU B 77 1.738 2.136 -88.012 1.00 0.00 H new ATOM 0 HD13 LEU B 77 1.507 1.022 -89.381 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.315 3.123 -91.311 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -0.355 1.494 -91.055 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -1.384 2.927 -90.820 1.00 0.00 H new ATOM 1382 N ASN B 78 -3.377 1.877 -86.200 1.00 0.00 N ATOM 1383 CA ASN B 78 -4.507 1.137 -85.651 1.00 0.00 C ATOM 1384 C ASN B 78 -5.710 1.197 -86.584 1.00 0.00 C ATOM 1385 O ASN B 78 -6.087 2.268 -87.058 1.00 0.00 O ATOM 1386 CB ASN B 78 -4.872 1.664 -84.275 1.00 0.00 C ATOM 1387 CG ASN B 78 -3.806 1.390 -83.250 1.00 0.00 C ATOM 1388 OD1 ASN B 78 -3.601 0.240 -82.842 1.00 0.00 O ATOM 1389 ND2 ASN B 78 -3.124 2.423 -82.827 1.00 0.00 N ATOM 0 H ASN B 78 -3.605 2.819 -86.518 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.209 0.093 -85.555 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -5.045 2.738 -84.336 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -5.808 1.208 -83.952 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -2.388 2.298 -82.132 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -3.328 3.353 -83.192 1.00 0.00 H new ATOM 1396 N ILE B 79 -6.307 0.039 -86.845 1.00 0.00 N ATOM 1397 CA ILE B 79 -7.473 -0.041 -87.716 1.00 0.00 C ATOM 1398 C ILE B 79 -8.673 -0.621 -86.979 1.00 0.00 C ATOM 1399 O ILE B 79 -8.634 -1.760 -86.510 1.00 0.00 O ATOM 1400 CB ILE B 79 -7.171 -0.897 -88.960 1.00 0.00 C ATOM 1401 CG1 ILE B 79 -5.945 -0.354 -89.697 1.00 0.00 C ATOM 1402 CG2 ILE B 79 -8.379 -0.935 -89.885 1.00 0.00 C ATOM 1403 CD1 ILE B 79 -4.642 -0.984 -89.263 1.00 0.00 C ATOM 0 H ILE B 79 -6.002 -0.857 -86.465 1.00 0.00 H new ATOM 0 HA ILE B 79 -7.713 0.975 -88.031 1.00 0.00 H new ATOM 0 HB ILE B 79 -6.954 -1.915 -88.636 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -6.076 -0.514 -90.767 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -5.887 0.723 -89.541 1.00 0.00 H new ATOM 0 HG21 ILE B 79 -8.149 -1.544 -90.759 1.00 0.00 H new ATOM 0 HG22 ILE B 79 -9.229 -1.366 -89.356 1.00 0.00 H new ATOM 0 HG23 ILE B 79 -8.626 0.078 -90.203 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -3.820 -0.547 -89.830 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -4.486 -0.802 -88.200 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -4.679 -2.058 -89.445 1.00 0.00 H new ATOM 1415 N THR B 80 -9.738 0.166 -86.879 1.00 0.00 N ATOM 1416 CA THR B 80 -10.950 -0.267 -86.194 1.00 0.00 C ATOM 1417 C THR B 80 -11.934 -0.906 -87.166 1.00 0.00 C ATOM 1418 O THR B 80 -12.403 -0.261 -88.104 1.00 0.00 O ATOM 1419 CB THR B 80 -11.628 0.910 -85.470 1.00 0.00 C ATOM 1420 OG1 THR B 80 -10.741 1.440 -84.477 1.00 0.00 O ATOM 1421 CG2 THR B 80 -12.917 0.455 -84.802 1.00 0.00 C ATOM 0 H THR B 80 -9.787 1.109 -87.264 1.00 0.00 H new ATOM 0 HA THR B 80 -10.654 -1.012 -85.455 1.00 0.00 H new ATOM 0 HB THR B 80 -11.864 1.680 -86.204 1.00 0.00 H new ATOM 0 HG1 THR B 80 -11.174 2.190 -84.019 1.00 0.00 H new ATOM 0 HG21 THR B 80 -13.382 1.300 -84.295 1.00 0.00 H new ATOM 0 HG22 THR B 80 -13.599 0.064 -85.557 1.00 0.00 H new ATOM 0 HG23 THR B 80 -12.694 -0.326 -84.075 1.00 0.00 H new ATOM 1429 N LEU B 81 -12.244 -2.177 -86.936 1.00 0.00 N ATOM 1430 CA LEU B 81 -13.256 -2.873 -87.721 1.00 0.00 C ATOM 1431 C LEU B 81 -14.471 -3.222 -86.870 1.00 0.00 C ATOM 1432 O LEU B 81 -14.435 -4.160 -86.074 1.00 0.00 O ATOM 1433 CB LEU B 81 -12.668 -4.152 -88.330 1.00 0.00 C ATOM 1434 CG LEU B 81 -13.632 -4.992 -89.177 1.00 0.00 C ATOM 1435 CD1 LEU B 81 -14.117 -4.167 -90.363 1.00 0.00 C ATOM 1436 CD2 LEU B 81 -12.931 -6.259 -89.642 1.00 0.00 C ATOM 0 H LEU B 81 -11.808 -2.747 -86.211 1.00 0.00 H new ATOM 0 HA LEU B 81 -13.576 -2.205 -88.520 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -11.814 -3.878 -88.950 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -12.287 -4.775 -87.521 1.00 0.00 H new ATOM 0 HG LEU B 81 -14.498 -5.279 -88.580 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -14.802 -4.764 -90.965 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -14.633 -3.277 -90.001 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -13.264 -3.869 -90.972 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -13.617 -6.855 -90.244 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -12.060 -5.994 -90.241 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -12.613 -6.838 -88.775 1.00 0.00 H new TER 1448 LEU B 81