USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 45 MET CE :methyl 165:sc= -0.797 (180deg=-0.883) USER MOD Set 1.2: A 50 GLN : amide:sc= -1.58 K(o=-3.1,f=-11!) USER MOD Set 1.3: A 80 MET CE :methyl -143:sc= -0.704 (180deg=-4.89!) USER MOD Single : A 1 MET CE :methyl -160:sc= 0 (180deg=-0.469) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.109 (180deg=-0.165) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.305 K(o=-0.3,f=-2.6!) USER MOD Single : A 13 THR OG1 : rot 171:sc= -1.8 USER MOD Single : A 16 GLN : amide:sc= -0.0545 X(o=-0.055,f=-0.44) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.349) USER MOD Single : A 18 ASN : amide:sc= -1.59! C(o=-1.6!,f=-4.1!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 11:sc= -0.0694 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00159 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -128:sc= -0.993 (180deg=-3.94!) USER MOD Single : A 51 ASN : amide:sc= -0.725 X(o=-0.73,f=-0.33) USER MOD Single : A 53 THR OG1 : rot -91:sc= -0.196 USER MOD Single : A 58 GLN : amide:sc= -3.37 K(o=-3.4,f=-1.7) USER MOD Single : A 60 MET CE :methyl -133:sc=-0.00136 (180deg=-0.575) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00771 USER MOD Single : A 81 MET CE :methyl -132:sc= -3.82 (180deg=-5.42!) USER MOD Single : A 84 CYS SG : rot -27:sc= 0 USER MOD Single : A 85 MET CE :methyl -127:sc= -1.3 (180deg=-3.01!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 82.235 -3.245 17.956 1.00 4.64 N ATOM 2 CA MET A 1 81.973 -4.675 17.621 1.00 4.12 C ATOM 3 C MET A 1 80.752 -4.789 16.705 1.00 3.48 C ATOM 4 O MET A 1 80.486 -5.830 16.134 1.00 3.58 O ATOM 5 CB MET A 1 81.700 -5.352 18.965 1.00 4.98 C ATOM 6 CG MET A 1 82.024 -6.844 18.860 1.00 5.66 C ATOM 7 SD MET A 1 80.952 -7.776 19.980 1.00 6.61 S ATOM 8 CE MET A 1 81.488 -6.985 21.516 1.00 7.61 C ATOM 0 H1 MET A 1 83.123 -3.171 18.493 1.00 4.64 H new ATOM 0 H2 MET A 1 82.314 -2.692 17.079 1.00 4.64 H new ATOM 0 H3 MET A 1 81.451 -2.874 18.530 1.00 4.64 H new ATOM 0 HA MET A 1 82.809 -5.136 17.094 1.00 4.12 H new ATOM 0 HB2 MET A 1 82.305 -4.892 19.746 1.00 4.98 H new ATOM 0 HB3 MET A 1 80.656 -5.215 19.248 1.00 4.98 H new ATOM 0 HG2 MET A 1 81.882 -7.186 17.835 1.00 5.66 H new ATOM 0 HG3 MET A 1 83.070 -7.018 19.112 1.00 5.66 H new ATOM 0 HE1 MET A 1 81.234 -7.624 22.362 1.00 7.61 H new ATOM 0 HE2 MET A 1 82.567 -6.831 21.489 1.00 7.61 H new ATOM 0 HE3 MET A 1 80.987 -6.023 21.624 1.00 7.61 H new ATOM 20 N ASP A 2 80.005 -3.729 16.560 1.00 3.24 N ATOM 21 CA ASP A 2 78.802 -3.779 15.681 1.00 2.87 C ATOM 22 C ASP A 2 78.907 -2.725 14.576 1.00 2.07 C ATOM 23 O ASP A 2 78.229 -1.717 14.598 1.00 2.09 O ATOM 24 CB ASP A 2 77.624 -3.471 16.607 1.00 3.39 C ATOM 25 CG ASP A 2 77.483 -4.589 17.642 1.00 4.29 C ATOM 26 OD1 ASP A 2 76.858 -5.587 17.325 1.00 4.75 O ATOM 27 OD2 ASP A 2 78.005 -4.428 18.732 1.00 4.77 O ATOM 0 H ASP A 2 80.175 -2.831 17.012 1.00 3.24 H new ATOM 0 HA ASP A 2 78.692 -4.744 15.187 1.00 2.87 H new ATOM 0 HB2 ASP A 2 77.781 -2.515 17.107 1.00 3.39 H new ATOM 0 HB3 ASP A 2 76.706 -3.380 16.027 1.00 3.39 H new ATOM 32 N ASP A 3 79.752 -2.951 13.608 1.00 1.76 N ATOM 33 CA ASP A 3 79.903 -1.963 12.501 1.00 1.28 C ATOM 34 C ASP A 3 80.251 -2.686 11.197 1.00 1.35 C ATOM 35 O ASP A 3 80.743 -2.093 10.257 1.00 1.53 O ATOM 36 CB ASP A 3 81.054 -1.056 12.937 1.00 1.32 C ATOM 37 CG ASP A 3 80.789 0.373 12.459 1.00 2.14 C ATOM 38 OD1 ASP A 3 81.024 0.639 11.292 1.00 2.66 O ATOM 39 OD2 ASP A 3 80.358 1.177 13.269 1.00 2.84 O ATOM 0 H ASP A 3 80.345 -3.778 13.535 1.00 1.76 H new ATOM 0 HA ASP A 3 78.988 -1.399 12.318 1.00 1.28 H new ATOM 0 HB2 ASP A 3 81.154 -1.075 14.022 1.00 1.32 H new ATOM 0 HB3 ASP A 3 81.994 -1.420 12.524 1.00 1.32 H new ATOM 44 N ILE A 4 80.000 -3.965 11.135 1.00 1.45 N ATOM 45 CA ILE A 4 80.317 -4.733 9.896 1.00 1.66 C ATOM 46 C ILE A 4 79.456 -4.244 8.728 1.00 1.48 C ATOM 47 O ILE A 4 79.744 -4.512 7.579 1.00 1.58 O ATOM 48 CB ILE A 4 79.981 -6.184 10.236 1.00 1.89 C ATOM 49 CG1 ILE A 4 78.491 -6.295 10.571 1.00 2.25 C ATOM 50 CG2 ILE A 4 80.807 -6.632 11.442 1.00 1.95 C ATOM 51 CD1 ILE A 4 78.160 -7.737 10.956 1.00 2.30 C ATOM 0 H ILE A 4 79.588 -4.513 11.890 1.00 1.45 H new ATOM 0 HA ILE A 4 81.357 -4.612 9.593 1.00 1.66 H new ATOM 0 HB ILE A 4 80.213 -6.820 9.382 1.00 1.89 H new ATOM 0 HG12 ILE A 4 78.241 -5.622 11.391 1.00 2.25 H new ATOM 0 HG13 ILE A 4 77.891 -5.990 9.714 1.00 2.25 H new ATOM 0 HG21 ILE A 4 80.566 -7.667 11.684 1.00 1.95 H new ATOM 0 HG22 ILE A 4 81.868 -6.552 11.206 1.00 1.95 H new ATOM 0 HG23 ILE A 4 80.576 -5.997 12.297 1.00 1.95 H new ATOM 0 HD11 ILE A 4 77.099 -7.816 11.194 1.00 2.30 H new ATOM 0 HD12 ILE A 4 78.395 -8.399 10.123 1.00 2.30 H new ATOM 0 HD13 ILE A 4 78.750 -8.026 11.826 1.00 2.30 H new ATOM 63 N TYR A 5 78.401 -3.532 9.012 1.00 1.29 N ATOM 64 CA TYR A 5 77.523 -3.031 7.915 1.00 1.15 C ATOM 65 C TYR A 5 78.144 -1.797 7.257 1.00 1.04 C ATOM 66 O TYR A 5 77.995 -1.574 6.072 1.00 1.02 O ATOM 67 CB TYR A 5 76.202 -2.676 8.596 1.00 1.16 C ATOM 68 CG TYR A 5 75.468 -3.946 8.951 1.00 1.39 C ATOM 69 CD1 TYR A 5 75.858 -4.690 10.071 1.00 1.97 C ATOM 70 CD2 TYR A 5 74.400 -4.381 8.159 1.00 1.89 C ATOM 71 CE1 TYR A 5 75.180 -5.870 10.397 1.00 2.21 C ATOM 72 CE2 TYR A 5 73.721 -5.561 8.486 1.00 2.12 C ATOM 73 CZ TYR A 5 74.111 -6.306 9.605 1.00 1.97 C ATOM 74 OH TYR A 5 73.443 -7.470 9.927 1.00 2.28 O ATOM 0 H TYR A 5 78.108 -3.275 9.955 1.00 1.29 H new ATOM 0 HA TYR A 5 77.386 -3.770 7.125 1.00 1.15 H new ATOM 0 HB2 TYR A 5 76.389 -2.087 9.494 1.00 1.16 H new ATOM 0 HB3 TYR A 5 75.591 -2.062 7.934 1.00 1.16 H new ATOM 0 HD1 TYR A 5 76.682 -4.353 10.683 1.00 1.97 H new ATOM 0 HD2 TYR A 5 74.099 -3.807 7.295 1.00 1.89 H new ATOM 0 HE1 TYR A 5 75.482 -6.445 11.260 1.00 2.21 H new ATOM 0 HE2 TYR A 5 72.896 -5.896 7.875 1.00 2.12 H new ATOM 0 HH TYR A 5 72.728 -7.627 9.276 1.00 2.28 H new ATOM 84 N LYS A 6 78.838 -0.992 8.013 1.00 1.08 N ATOM 85 CA LYS A 6 79.465 0.224 7.421 1.00 1.15 C ATOM 86 C LYS A 6 80.438 -0.180 6.310 1.00 1.34 C ATOM 87 O LYS A 6 80.514 0.457 5.278 1.00 1.48 O ATOM 88 CB LYS A 6 80.213 0.891 8.576 1.00 1.28 C ATOM 89 CG LYS A 6 79.312 1.942 9.228 1.00 1.93 C ATOM 90 CD LYS A 6 80.137 2.791 10.198 1.00 2.17 C ATOM 91 CE LYS A 6 79.852 4.275 9.951 1.00 3.13 C ATOM 92 NZ LYS A 6 81.159 4.850 9.526 1.00 3.45 N ATOM 0 H LYS A 6 78.998 -1.122 9.012 1.00 1.08 H new ATOM 0 HA LYS A 6 78.731 0.895 6.976 1.00 1.15 H new ATOM 0 HB2 LYS A 6 80.509 0.143 9.312 1.00 1.28 H new ATOM 0 HB3 LYS A 6 81.128 1.357 8.210 1.00 1.28 H new ATOM 0 HG2 LYS A 6 78.864 2.577 8.464 1.00 1.93 H new ATOM 0 HG3 LYS A 6 78.494 1.456 9.759 1.00 1.93 H new ATOM 0 HD2 LYS A 6 79.890 2.529 11.227 1.00 2.17 H new ATOM 0 HD3 LYS A 6 81.199 2.587 10.063 1.00 2.17 H new ATOM 0 HE2 LYS A 6 79.092 4.409 9.181 1.00 3.13 H new ATOM 0 HE3 LYS A 6 79.481 4.762 10.853 1.00 3.13 H new ATOM 0 HZ1 LYS A 6 81.046 5.867 9.338 1.00 3.45 H new ATOM 0 HZ2 LYS A 6 81.860 4.714 10.282 1.00 3.45 H new ATOM 0 HZ3 LYS A 6 81.484 4.372 8.662 1.00 3.45 H new ATOM 106 N ALA A 7 81.177 -1.236 6.511 1.00 1.45 N ATOM 107 CA ALA A 7 82.137 -1.682 5.461 1.00 1.74 C ATOM 108 C ALA A 7 81.370 -2.222 4.252 1.00 1.74 C ATOM 109 O ALA A 7 81.628 -1.853 3.124 1.00 1.92 O ATOM 110 CB ALA A 7 82.957 -2.793 6.116 1.00 1.95 C ATOM 0 H ALA A 7 81.158 -1.809 7.355 1.00 1.45 H new ATOM 0 HA ALA A 7 82.770 -0.870 5.104 1.00 1.74 H new ATOM 0 HB1 ALA A 7 83.688 -3.174 5.403 1.00 1.95 H new ATOM 0 HB2 ALA A 7 83.474 -2.397 6.990 1.00 1.95 H new ATOM 0 HB3 ALA A 7 82.294 -3.602 6.423 1.00 1.95 H new ATOM 116 N ALA A 8 80.425 -3.093 4.480 1.00 1.60 N ATOM 117 CA ALA A 8 79.638 -3.653 3.345 1.00 1.68 C ATOM 118 C ALA A 8 79.161 -2.523 2.427 1.00 1.49 C ATOM 119 O ALA A 8 79.273 -2.602 1.221 1.00 1.62 O ATOM 120 CB ALA A 8 78.444 -4.351 3.998 1.00 1.71 C ATOM 0 H ALA A 8 80.164 -3.441 5.403 1.00 1.60 H new ATOM 0 HA ALA A 8 80.225 -4.337 2.732 1.00 1.68 H new ATOM 0 HB1 ALA A 8 77.813 -4.791 3.226 1.00 1.71 H new ATOM 0 HB2 ALA A 8 78.801 -5.135 4.665 1.00 1.71 H new ATOM 0 HB3 ALA A 8 77.866 -3.625 4.569 1.00 1.71 H new ATOM 126 N VAL A 9 78.631 -1.473 2.993 1.00 1.25 N ATOM 127 CA VAL A 9 78.149 -0.337 2.154 1.00 1.20 C ATOM 128 C VAL A 9 79.331 0.341 1.455 1.00 1.40 C ATOM 129 O VAL A 9 79.234 0.762 0.320 1.00 1.41 O ATOM 130 CB VAL A 9 77.487 0.628 3.138 1.00 1.13 C ATOM 131 CG1 VAL A 9 77.055 1.895 2.398 1.00 1.83 C ATOM 132 CG2 VAL A 9 76.259 -0.040 3.762 1.00 1.52 C ATOM 0 H VAL A 9 78.511 -1.352 3.999 1.00 1.25 H new ATOM 0 HA VAL A 9 77.460 -0.662 1.374 1.00 1.20 H new ATOM 0 HB VAL A 9 78.197 0.889 3.923 1.00 1.13 H new ATOM 0 HG11 VAL A 9 76.583 2.583 3.099 1.00 1.83 H new ATOM 0 HG12 VAL A 9 77.928 2.372 1.953 1.00 1.83 H new ATOM 0 HG13 VAL A 9 76.345 1.634 1.613 1.00 1.83 H new ATOM 0 HG21 VAL A 9 75.787 0.648 4.463 1.00 1.52 H new ATOM 0 HG22 VAL A 9 75.549 -0.302 2.977 1.00 1.52 H new ATOM 0 HG23 VAL A 9 76.565 -0.943 4.290 1.00 1.52 H new ATOM 142 N GLU A 10 80.444 0.449 2.127 1.00 1.64 N ATOM 143 CA GLU A 10 81.631 1.101 1.503 1.00 1.94 C ATOM 144 C GLU A 10 82.278 0.162 0.482 1.00 1.97 C ATOM 145 O GLU A 10 82.989 0.588 -0.405 1.00 2.19 O ATOM 146 CB GLU A 10 82.588 1.371 2.665 1.00 2.23 C ATOM 147 CG GLU A 10 82.703 2.879 2.894 1.00 2.75 C ATOM 148 CD GLU A 10 83.720 3.151 4.004 1.00 3.11 C ATOM 149 OE1 GLU A 10 84.894 2.910 3.777 1.00 3.61 O ATOM 150 OE2 GLU A 10 83.307 3.595 5.062 1.00 3.35 O ATOM 0 H GLU A 10 80.583 0.114 3.080 1.00 1.64 H new ATOM 0 HA GLU A 10 81.367 2.014 0.969 1.00 1.94 H new ATOM 0 HB2 GLU A 10 82.225 0.882 3.569 1.00 2.23 H new ATOM 0 HB3 GLU A 10 83.569 0.950 2.447 1.00 2.23 H new ATOM 0 HG2 GLU A 10 83.012 3.375 1.974 1.00 2.75 H new ATOM 0 HG3 GLU A 10 81.732 3.291 3.167 1.00 2.75 H new ATOM 157 N GLN A 11 82.040 -1.116 0.602 1.00 1.87 N ATOM 158 CA GLN A 11 82.644 -2.079 -0.363 1.00 2.00 C ATOM 159 C GLN A 11 81.854 -2.080 -1.674 1.00 1.46 C ATOM 160 O GLN A 11 82.203 -2.756 -2.621 1.00 1.69 O ATOM 161 CB GLN A 11 82.544 -3.441 0.326 1.00 2.54 C ATOM 162 CG GLN A 11 83.949 -3.946 0.664 1.00 3.27 C ATOM 163 CD GLN A 11 84.132 -3.964 2.183 1.00 3.83 C ATOM 164 OE1 GLN A 11 83.203 -4.242 2.915 1.00 4.41 O ATOM 165 NE2 GLN A 11 85.300 -3.679 2.691 1.00 3.95 N ATOM 0 H GLN A 11 81.455 -1.534 1.325 1.00 1.87 H new ATOM 0 HA GLN A 11 83.673 -1.823 -0.615 1.00 2.00 H new ATOM 0 HB2 GLN A 11 81.947 -3.358 1.234 1.00 2.54 H new ATOM 0 HB3 GLN A 11 82.037 -4.153 -0.325 1.00 2.54 H new ATOM 0 HG2 GLN A 11 84.095 -4.947 0.257 1.00 3.27 H new ATOM 0 HG3 GLN A 11 84.699 -3.302 0.204 1.00 3.27 H new ATOM 0 HE21 GLN A 11 86.080 -3.446 2.077 1.00 3.95 H new ATOM 0 HE22 GLN A 11 85.433 -3.690 3.702 1.00 3.95 H new ATOM 174 N LEU A 12 80.791 -1.323 -1.738 1.00 1.14 N ATOM 175 CA LEU A 12 79.981 -1.279 -2.988 1.00 1.23 C ATOM 176 C LEU A 12 80.744 -0.529 -4.085 1.00 1.75 C ATOM 177 O LEU A 12 80.913 0.673 -4.025 1.00 2.52 O ATOM 178 CB LEU A 12 78.706 -0.526 -2.606 1.00 1.10 C ATOM 179 CG LEU A 12 77.876 -1.379 -1.646 1.00 1.16 C ATOM 180 CD1 LEU A 12 76.585 -0.640 -1.291 1.00 1.74 C ATOM 181 CD2 LEU A 12 77.533 -2.711 -2.316 1.00 1.62 C ATOM 0 H LEU A 12 80.450 -0.734 -0.979 1.00 1.14 H new ATOM 0 HA LEU A 12 79.764 -2.274 -3.377 1.00 1.23 H new ATOM 0 HB2 LEU A 12 78.960 0.425 -2.137 1.00 1.10 H new ATOM 0 HB3 LEU A 12 78.125 -0.296 -3.499 1.00 1.10 H new ATOM 0 HG LEU A 12 78.449 -1.565 -0.737 1.00 1.16 H new ATOM 0 HD11 LEU A 12 75.994 -1.249 -0.607 1.00 1.74 H new ATOM 0 HD12 LEU A 12 76.829 0.309 -0.814 1.00 1.74 H new ATOM 0 HD13 LEU A 12 76.011 -0.453 -2.199 1.00 1.74 H new ATOM 0 HD21 LEU A 12 76.941 -3.320 -1.633 1.00 1.62 H new ATOM 0 HD22 LEU A 12 76.960 -2.524 -3.225 1.00 1.62 H new ATOM 0 HD23 LEU A 12 78.453 -3.239 -2.569 1.00 1.62 H new ATOM 193 N THR A 13 81.206 -1.228 -5.084 1.00 1.74 N ATOM 194 CA THR A 13 81.958 -0.554 -6.182 1.00 2.37 C ATOM 195 C THR A 13 81.236 0.724 -6.613 1.00 2.28 C ATOM 196 O THR A 13 80.022 0.790 -6.622 1.00 1.84 O ATOM 197 CB THR A 13 81.983 -1.568 -7.327 1.00 2.87 C ATOM 198 OG1 THR A 13 80.650 -1.906 -7.687 1.00 2.80 O ATOM 199 CG2 THR A 13 82.728 -2.827 -6.881 1.00 3.47 C ATOM 0 H THR A 13 81.096 -2.237 -5.189 1.00 1.74 H new ATOM 0 HA THR A 13 82.962 -0.262 -5.874 1.00 2.37 H new ATOM 0 HB THR A 13 82.493 -1.133 -8.187 1.00 2.87 H new ATOM 0 HG1 THR A 13 80.658 -2.439 -8.509 1.00 2.80 H new ATOM 0 HG21 THR A 13 82.745 -3.548 -7.698 1.00 3.47 H new ATOM 0 HG22 THR A 13 83.750 -2.567 -6.606 1.00 3.47 H new ATOM 0 HG23 THR A 13 82.221 -3.264 -6.021 1.00 3.47 H new ATOM 207 N GLU A 14 81.971 1.740 -6.973 1.00 2.79 N ATOM 208 CA GLU A 14 81.323 3.011 -7.405 1.00 2.85 C ATOM 209 C GLU A 14 80.301 2.734 -8.511 1.00 2.54 C ATOM 210 O GLU A 14 79.242 3.326 -8.553 1.00 2.21 O ATOM 211 CB GLU A 14 82.467 3.877 -7.936 1.00 3.57 C ATOM 212 CG GLU A 14 82.152 5.352 -7.679 1.00 3.91 C ATOM 213 CD GLU A 14 82.166 6.119 -9.003 1.00 4.24 C ATOM 214 OE1 GLU A 14 82.643 5.566 -9.980 1.00 4.66 O ATOM 215 OE2 GLU A 14 81.700 7.246 -9.016 1.00 4.48 O ATOM 0 H GLU A 14 82.991 1.745 -6.987 1.00 2.79 H new ATOM 0 HA GLU A 14 80.786 3.499 -6.592 1.00 2.85 H new ATOM 0 HB2 GLU A 14 83.402 3.603 -7.447 1.00 3.57 H new ATOM 0 HB3 GLU A 14 82.603 3.704 -9.004 1.00 3.57 H new ATOM 0 HG2 GLU A 14 81.177 5.448 -7.202 1.00 3.91 H new ATOM 0 HG3 GLU A 14 82.885 5.777 -6.993 1.00 3.91 H new ATOM 222 N GLU A 15 80.610 1.833 -9.405 1.00 2.73 N ATOM 223 CA GLU A 15 79.655 1.518 -10.505 1.00 2.59 C ATOM 224 C GLU A 15 78.381 0.895 -9.930 1.00 2.19 C ATOM 225 O GLU A 15 77.351 0.858 -10.573 1.00 2.08 O ATOM 226 CB GLU A 15 80.389 0.513 -11.393 1.00 3.01 C ATOM 227 CG GLU A 15 80.599 -0.792 -10.622 1.00 3.67 C ATOM 228 CD GLU A 15 82.065 -1.214 -10.719 1.00 4.32 C ATOM 229 OE1 GLU A 15 82.905 -0.341 -10.864 1.00 4.98 O ATOM 230 OE2 GLU A 15 82.324 -2.404 -10.649 1.00 4.51 O ATOM 0 H GLU A 15 81.481 1.303 -9.421 1.00 2.73 H new ATOM 0 HA GLU A 15 79.355 2.407 -11.060 1.00 2.59 H new ATOM 0 HB2 GLU A 15 79.813 0.324 -12.299 1.00 3.01 H new ATOM 0 HB3 GLU A 15 81.350 0.922 -11.706 1.00 3.01 H new ATOM 0 HG2 GLU A 15 80.317 -0.659 -9.578 1.00 3.67 H new ATOM 0 HG3 GLU A 15 79.957 -1.574 -11.028 1.00 3.67 H new ATOM 237 N GLN A 16 78.445 0.404 -8.722 1.00 2.04 N ATOM 238 CA GLN A 16 77.239 -0.218 -8.105 1.00 1.73 C ATOM 239 C GLN A 16 76.358 0.860 -7.468 1.00 1.35 C ATOM 240 O GLN A 16 75.329 1.227 -8.000 1.00 1.17 O ATOM 241 CB GLN A 16 77.786 -1.163 -7.035 1.00 1.74 C ATOM 242 CG GLN A 16 76.621 -1.858 -6.327 1.00 2.16 C ATOM 243 CD GLN A 16 77.042 -3.270 -5.916 1.00 2.30 C ATOM 244 OE1 GLN A 16 78.091 -3.458 -5.334 1.00 3.06 O ATOM 245 NE2 GLN A 16 76.262 -4.278 -6.197 1.00 2.19 N ATOM 0 H GLN A 16 79.280 0.407 -8.136 1.00 2.04 H new ATOM 0 HA GLN A 16 76.623 -0.742 -8.836 1.00 1.73 H new ATOM 0 HB2 GLN A 16 78.443 -1.904 -7.490 1.00 1.74 H new ATOM 0 HB3 GLN A 16 78.384 -0.606 -6.314 1.00 1.74 H new ATOM 0 HG2 GLN A 16 76.322 -1.286 -5.448 1.00 2.16 H new ATOM 0 HG3 GLN A 16 75.755 -1.903 -6.988 1.00 2.16 H new ATOM 0 HE21 GLN A 16 75.381 -4.120 -6.686 1.00 2.19 H new ATOM 0 HE22 GLN A 16 76.534 -5.224 -5.928 1.00 2.19 H new ATOM 254 N LYS A 17 76.753 1.370 -6.333 1.00 1.41 N ATOM 255 CA LYS A 17 75.935 2.425 -5.669 1.00 1.21 C ATOM 256 C LYS A 17 75.477 3.458 -6.701 1.00 1.08 C ATOM 257 O LYS A 17 74.394 4.001 -6.613 1.00 0.97 O ATOM 258 CB LYS A 17 76.869 3.066 -4.642 1.00 1.52 C ATOM 259 CG LYS A 17 78.145 3.542 -5.338 1.00 2.28 C ATOM 260 CD LYS A 17 79.294 3.586 -4.328 1.00 2.64 C ATOM 261 CE LYS A 17 79.735 5.037 -4.120 1.00 2.74 C ATOM 262 NZ LYS A 17 78.572 5.700 -3.467 1.00 2.91 N ATOM 0 H LYS A 17 77.604 1.103 -5.838 1.00 1.41 H new ATOM 0 HA LYS A 17 75.037 2.021 -5.201 1.00 1.21 H new ATOM 0 HB2 LYS A 17 76.372 3.906 -4.157 1.00 1.52 H new ATOM 0 HB3 LYS A 17 77.115 2.347 -3.860 1.00 1.52 H new ATOM 0 HG2 LYS A 17 78.395 2.871 -6.160 1.00 2.28 H new ATOM 0 HG3 LYS A 17 77.989 4.531 -5.770 1.00 2.28 H new ATOM 0 HD2 LYS A 17 78.976 3.152 -3.380 1.00 2.64 H new ATOM 0 HD3 LYS A 17 80.131 2.988 -4.687 1.00 2.64 H new ATOM 0 HE2 LYS A 17 80.625 5.094 -3.494 1.00 2.74 H new ATOM 0 HE3 LYS A 17 79.981 5.515 -5.068 1.00 2.74 H new ATOM 0 HZ1 LYS A 17 78.904 6.511 -2.907 1.00 2.91 H new ATOM 0 HZ2 LYS A 17 77.907 6.031 -4.195 1.00 2.91 H new ATOM 0 HZ3 LYS A 17 78.092 5.022 -2.842 1.00 2.91 H new ATOM 276 N ASN A 18 76.292 3.730 -7.683 1.00 1.19 N ATOM 277 CA ASN A 18 75.900 4.723 -8.721 1.00 1.13 C ATOM 278 C ASN A 18 74.621 4.262 -9.427 1.00 0.92 C ATOM 279 O ASN A 18 73.759 5.053 -9.750 1.00 0.77 O ATOM 280 CB ASN A 18 77.074 4.760 -9.698 1.00 1.38 C ATOM 281 CG ASN A 18 78.160 5.688 -9.150 1.00 1.81 C ATOM 282 OD1 ASN A 18 78.239 5.913 -7.960 1.00 1.98 O ATOM 283 ND2 ASN A 18 79.006 6.240 -9.975 1.00 2.51 N ATOM 0 H ASN A 18 77.212 3.308 -7.811 1.00 1.19 H new ATOM 0 HA ASN A 18 75.695 5.707 -8.300 1.00 1.13 H new ATOM 0 HB2 ASN A 18 77.475 3.757 -9.840 1.00 1.38 H new ATOM 0 HB3 ASN A 18 76.739 5.111 -10.674 1.00 1.38 H new ATOM 0 HD21 ASN A 18 79.734 6.860 -9.620 1.00 2.51 H new ATOM 0 HD22 ASN A 18 78.940 6.051 -10.975 1.00 2.51 H new ATOM 290 N GLU A 19 74.491 2.985 -9.659 1.00 1.02 N ATOM 291 CA GLU A 19 73.264 2.474 -10.334 1.00 0.98 C ATOM 292 C GLU A 19 72.058 2.630 -9.405 1.00 0.83 C ATOM 293 O GLU A 19 71.021 3.131 -9.794 1.00 0.82 O ATOM 294 CB GLU A 19 73.546 0.996 -10.606 1.00 1.25 C ATOM 295 CG GLU A 19 73.214 0.674 -12.064 1.00 1.54 C ATOM 296 CD GLU A 19 74.491 0.732 -12.906 1.00 2.01 C ATOM 297 OE1 GLU A 19 75.548 0.448 -12.365 1.00 2.60 O ATOM 298 OE2 GLU A 19 74.390 1.059 -14.077 1.00 2.48 O ATOM 0 H GLU A 19 75.179 2.274 -9.411 1.00 1.02 H new ATOM 0 HA GLU A 19 73.036 3.017 -11.251 1.00 0.98 H new ATOM 0 HB2 GLU A 19 74.593 0.771 -10.402 1.00 1.25 H new ATOM 0 HB3 GLU A 19 72.950 0.372 -9.940 1.00 1.25 H new ATOM 0 HG2 GLU A 19 72.764 -0.316 -12.135 1.00 1.54 H new ATOM 0 HG3 GLU A 19 72.482 1.385 -12.446 1.00 1.54 H new ATOM 305 N PHE A 20 72.188 2.210 -8.175 1.00 0.83 N ATOM 306 CA PHE A 20 71.052 2.341 -7.217 1.00 0.78 C ATOM 307 C PHE A 20 70.691 3.816 -7.035 1.00 0.69 C ATOM 308 O PHE A 20 69.557 4.160 -6.766 1.00 0.74 O ATOM 309 CB PHE A 20 71.569 1.749 -5.905 1.00 0.94 C ATOM 310 CG PHE A 20 71.896 0.288 -6.104 1.00 1.20 C ATOM 311 CD1 PHE A 20 70.987 -0.550 -6.762 1.00 1.96 C ATOM 312 CD2 PHE A 20 73.108 -0.228 -5.630 1.00 2.07 C ATOM 313 CE1 PHE A 20 71.291 -1.904 -6.945 1.00 2.88 C ATOM 314 CE2 PHE A 20 73.411 -1.582 -5.813 1.00 2.93 C ATOM 315 CZ PHE A 20 72.503 -2.420 -6.471 1.00 3.19 C ATOM 0 H PHE A 20 73.031 1.782 -7.792 1.00 0.83 H new ATOM 0 HA PHE A 20 70.153 1.832 -7.565 1.00 0.78 H new ATOM 0 HB2 PHE A 20 72.456 2.289 -5.575 1.00 0.94 H new ATOM 0 HB3 PHE A 20 70.818 1.861 -5.123 1.00 0.94 H new ATOM 0 HD1 PHE A 20 70.052 -0.152 -7.128 1.00 1.96 H new ATOM 0 HD2 PHE A 20 73.809 0.419 -5.123 1.00 2.07 H new ATOM 0 HE1 PHE A 20 70.590 -2.551 -7.452 1.00 2.88 H new ATOM 0 HE2 PHE A 20 74.346 -1.980 -5.447 1.00 2.93 H new ATOM 0 HZ PHE A 20 72.737 -3.465 -6.613 1.00 3.19 H new ATOM 325 N LYS A 21 71.648 4.691 -7.182 1.00 0.73 N ATOM 326 CA LYS A 21 71.361 6.145 -7.021 1.00 0.83 C ATOM 327 C LYS A 21 70.333 6.591 -8.061 1.00 0.81 C ATOM 328 O LYS A 21 69.381 7.279 -7.752 1.00 0.97 O ATOM 329 CB LYS A 21 72.702 6.841 -7.258 1.00 1.00 C ATOM 330 CG LYS A 21 72.669 8.239 -6.638 1.00 1.37 C ATOM 331 CD LYS A 21 74.088 8.658 -6.250 1.00 1.81 C ATOM 332 CE LYS A 21 74.609 9.692 -7.250 1.00 2.52 C ATOM 333 NZ LYS A 21 76.089 9.523 -7.238 1.00 3.32 N ATOM 0 H LYS A 21 72.616 4.462 -7.407 1.00 0.73 H new ATOM 0 HA LYS A 21 70.948 6.383 -6.040 1.00 0.83 H new ATOM 0 HB2 LYS A 21 73.510 6.256 -6.819 1.00 1.00 H new ATOM 0 HB3 LYS A 21 72.904 6.911 -8.327 1.00 1.00 H new ATOM 0 HG2 LYS A 21 72.248 8.953 -7.346 1.00 1.37 H new ATOM 0 HG3 LYS A 21 72.024 8.244 -5.759 1.00 1.37 H new ATOM 0 HD2 LYS A 21 74.092 9.076 -5.243 1.00 1.81 H new ATOM 0 HD3 LYS A 21 74.744 7.788 -6.236 1.00 1.81 H new ATOM 0 HE2 LYS A 21 74.200 9.520 -8.246 1.00 2.52 H new ATOM 0 HE3 LYS A 21 74.324 10.703 -6.958 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 76.521 10.199 -7.900 1.00 3.32 H new ATOM 0 HZ2 LYS A 21 76.451 9.699 -6.279 1.00 3.32 H new ATOM 0 HZ3 LYS A 21 76.330 8.553 -7.526 1.00 3.32 H new ATOM 347 N ALA A 22 70.514 6.198 -9.292 1.00 0.78 N ATOM 348 CA ALA A 22 69.543 6.596 -10.349 1.00 0.87 C ATOM 349 C ALA A 22 68.138 6.127 -9.968 1.00 0.81 C ATOM 350 O ALA A 22 67.153 6.761 -10.291 1.00 0.83 O ATOM 351 CB ALA A 22 70.022 5.889 -11.617 1.00 0.97 C ATOM 0 H ALA A 22 71.291 5.619 -9.611 1.00 0.78 H new ATOM 0 HA ALA A 22 69.494 7.677 -10.484 1.00 0.87 H new ATOM 0 HB1 ALA A 22 69.355 6.133 -12.444 1.00 0.97 H new ATOM 0 HB2 ALA A 22 71.033 6.218 -11.857 1.00 0.97 H new ATOM 0 HB3 ALA A 22 70.020 4.811 -11.456 1.00 0.97 H new ATOM 357 N ALA A 23 68.038 5.026 -9.274 1.00 0.80 N ATOM 358 CA ALA A 23 66.697 4.522 -8.863 1.00 0.81 C ATOM 359 C ALA A 23 66.204 5.315 -7.653 1.00 0.74 C ATOM 360 O ALA A 23 65.025 5.559 -7.492 1.00 0.77 O ATOM 361 CB ALA A 23 66.920 3.056 -8.492 1.00 0.89 C ATOM 0 H ALA A 23 68.827 4.454 -8.974 1.00 0.80 H new ATOM 0 HA ALA A 23 65.948 4.628 -9.648 1.00 0.81 H new ATOM 0 HB1 ALA A 23 65.975 2.613 -8.177 1.00 0.89 H new ATOM 0 HB2 ALA A 23 67.304 2.516 -9.358 1.00 0.89 H new ATOM 0 HB3 ALA A 23 67.640 2.993 -7.676 1.00 0.89 H new ATOM 367 N PHE A 24 67.102 5.726 -6.804 1.00 0.71 N ATOM 368 CA PHE A 24 66.697 6.512 -5.607 1.00 0.72 C ATOM 369 C PHE A 24 65.853 7.716 -6.037 1.00 0.71 C ATOM 370 O PHE A 24 64.843 8.026 -5.437 1.00 0.73 O ATOM 371 CB PHE A 24 68.015 6.967 -4.981 1.00 0.82 C ATOM 372 CG PHE A 24 67.760 8.085 -4.001 1.00 1.04 C ATOM 373 CD1 PHE A 24 66.629 8.055 -3.177 1.00 1.81 C ATOM 374 CD2 PHE A 24 68.661 9.154 -3.914 1.00 1.51 C ATOM 375 CE1 PHE A 24 66.398 9.093 -2.267 1.00 2.09 C ATOM 376 CE2 PHE A 24 68.430 10.191 -3.004 1.00 1.88 C ATOM 377 CZ PHE A 24 67.299 10.161 -2.180 1.00 1.85 C ATOM 0 H PHE A 24 68.103 5.551 -6.888 1.00 0.71 H new ATOM 0 HA PHE A 24 66.092 5.936 -4.907 1.00 0.72 H new ATOM 0 HB2 PHE A 24 68.495 6.130 -4.474 1.00 0.82 H new ATOM 0 HB3 PHE A 24 68.700 7.303 -5.759 1.00 0.82 H new ATOM 0 HD1 PHE A 24 65.934 7.231 -3.243 1.00 1.81 H new ATOM 0 HD2 PHE A 24 69.534 9.178 -4.549 1.00 1.51 H new ATOM 0 HE1 PHE A 24 65.525 9.070 -1.632 1.00 2.09 H new ATOM 0 HE2 PHE A 24 69.125 11.015 -2.937 1.00 1.88 H new ATOM 0 HZ PHE A 24 67.121 10.962 -1.477 1.00 1.85 H new ATOM 387 N ASP A 25 66.263 8.395 -7.076 1.00 0.81 N ATOM 388 CA ASP A 25 65.485 9.578 -7.549 1.00 0.97 C ATOM 389 C ASP A 25 64.177 9.135 -8.215 1.00 1.04 C ATOM 390 O ASP A 25 63.358 9.950 -8.591 1.00 1.23 O ATOM 391 CB ASP A 25 66.396 10.267 -8.567 1.00 1.18 C ATOM 392 CG ASP A 25 67.089 11.460 -7.908 1.00 1.57 C ATOM 393 OD1 ASP A 25 67.460 11.341 -6.751 1.00 2.18 O ATOM 394 OD2 ASP A 25 67.239 12.475 -8.570 1.00 1.98 O ATOM 0 H ASP A 25 67.101 8.182 -7.617 1.00 0.81 H new ATOM 0 HA ASP A 25 65.209 10.240 -6.728 1.00 0.97 H new ATOM 0 HB2 ASP A 25 67.139 9.563 -8.941 1.00 1.18 H new ATOM 0 HB3 ASP A 25 65.813 10.601 -9.425 1.00 1.18 H new ATOM 399 N ILE A 26 63.975 7.854 -8.377 1.00 0.99 N ATOM 400 CA ILE A 26 62.723 7.377 -9.035 1.00 1.18 C ATOM 401 C ILE A 26 61.597 7.188 -8.011 1.00 1.09 C ATOM 402 O ILE A 26 60.454 7.508 -8.271 1.00 1.23 O ATOM 403 CB ILE A 26 63.095 6.042 -9.668 1.00 1.38 C ATOM 404 CG1 ILE A 26 64.110 6.289 -10.788 1.00 1.55 C ATOM 405 CG2 ILE A 26 61.837 5.387 -10.239 1.00 1.60 C ATOM 406 CD1 ILE A 26 64.164 5.077 -11.716 1.00 1.61 C ATOM 0 H ILE A 26 64.620 7.120 -8.084 1.00 0.99 H new ATOM 0 HA ILE A 26 62.354 8.095 -9.767 1.00 1.18 H new ATOM 0 HB ILE A 26 63.534 5.381 -8.920 1.00 1.38 H new ATOM 0 HG12 ILE A 26 63.832 7.179 -11.353 1.00 1.55 H new ATOM 0 HG13 ILE A 26 65.096 6.477 -10.363 1.00 1.55 H new ATOM 0 HG21 ILE A 26 62.099 4.431 -10.693 1.00 1.60 H new ATOM 0 HG22 ILE A 26 61.116 5.223 -9.438 1.00 1.60 H new ATOM 0 HG23 ILE A 26 61.398 6.039 -10.994 1.00 1.60 H new ATOM 0 HD11 ILE A 26 64.888 5.259 -12.510 1.00 1.61 H new ATOM 0 HD12 ILE A 26 64.463 4.196 -11.147 1.00 1.61 H new ATOM 0 HD13 ILE A 26 63.180 4.909 -12.153 1.00 1.61 H new ATOM 418 N PHE A 27 61.901 6.663 -6.855 1.00 0.94 N ATOM 419 CA PHE A 27 60.836 6.450 -5.834 1.00 0.95 C ATOM 420 C PHE A 27 60.424 7.784 -5.203 1.00 0.79 C ATOM 421 O PHE A 27 59.344 7.918 -4.663 1.00 0.87 O ATOM 422 CB PHE A 27 61.474 5.534 -4.792 1.00 1.05 C ATOM 423 CG PHE A 27 62.163 4.387 -5.492 1.00 1.28 C ATOM 424 CD1 PHE A 27 61.405 3.425 -6.172 1.00 1.67 C ATOM 425 CD2 PHE A 27 63.559 4.283 -5.461 1.00 1.97 C ATOM 426 CE1 PHE A 27 62.043 2.361 -6.822 1.00 1.91 C ATOM 427 CE2 PHE A 27 64.196 3.219 -6.111 1.00 2.24 C ATOM 428 CZ PHE A 27 63.438 2.258 -6.791 1.00 1.91 C ATOM 0 H PHE A 27 62.838 6.373 -6.574 1.00 0.94 H new ATOM 0 HA PHE A 27 59.932 6.017 -6.262 1.00 0.95 H new ATOM 0 HB2 PHE A 27 62.192 6.092 -4.191 1.00 1.05 H new ATOM 0 HB3 PHE A 27 60.713 5.155 -4.110 1.00 1.05 H new ATOM 0 HD1 PHE A 27 60.328 3.504 -6.195 1.00 1.67 H new ATOM 0 HD2 PHE A 27 64.144 5.023 -4.936 1.00 1.97 H new ATOM 0 HE1 PHE A 27 61.458 1.620 -7.347 1.00 1.91 H new ATOM 0 HE2 PHE A 27 65.273 3.139 -6.088 1.00 2.24 H new ATOM 0 HZ PHE A 27 63.930 1.437 -7.292 1.00 1.91 H new ATOM 438 N VAL A 28 61.276 8.769 -5.264 1.00 0.76 N ATOM 439 CA VAL A 28 60.935 10.087 -4.668 1.00 0.78 C ATOM 440 C VAL A 28 60.292 10.995 -5.719 1.00 0.97 C ATOM 441 O VAL A 28 60.245 12.200 -5.567 1.00 1.39 O ATOM 442 CB VAL A 28 62.275 10.658 -4.214 1.00 0.77 C ATOM 443 CG1 VAL A 28 62.913 9.717 -3.190 1.00 1.33 C ATOM 444 CG2 VAL A 28 63.201 10.798 -5.424 1.00 1.34 C ATOM 0 H VAL A 28 62.196 8.716 -5.702 1.00 0.76 H new ATOM 0 HA VAL A 28 60.222 10.003 -3.848 1.00 0.78 H new ATOM 0 HB VAL A 28 62.118 11.635 -3.758 1.00 0.77 H new ATOM 0 HG11 VAL A 28 63.870 10.126 -2.867 1.00 1.33 H new ATOM 0 HG12 VAL A 28 62.253 9.615 -2.329 1.00 1.33 H new ATOM 0 HG13 VAL A 28 63.071 8.739 -3.644 1.00 1.33 H new ATOM 0 HG21 VAL A 28 64.160 11.206 -5.103 1.00 1.34 H new ATOM 0 HG22 VAL A 28 63.357 9.819 -5.878 1.00 1.34 H new ATOM 0 HG23 VAL A 28 62.747 11.469 -6.154 1.00 1.34 H new ATOM 454 N LEU A 29 59.796 10.428 -6.784 1.00 1.11 N ATOM 455 CA LEU A 29 59.158 11.263 -7.843 1.00 1.39 C ATOM 456 C LEU A 29 58.150 12.229 -7.218 1.00 1.56 C ATOM 457 O LEU A 29 58.038 13.371 -7.621 1.00 1.98 O ATOM 458 CB LEU A 29 58.448 10.265 -8.758 1.00 1.45 C ATOM 459 CG LEU A 29 59.063 10.329 -10.157 1.00 1.71 C ATOM 460 CD1 LEU A 29 58.807 11.708 -10.765 1.00 2.28 C ATOM 461 CD2 LEU A 29 60.571 10.087 -10.061 1.00 2.41 C ATOM 0 H LEU A 29 59.804 9.425 -6.967 1.00 1.11 H new ATOM 0 HA LEU A 29 59.884 11.869 -8.385 1.00 1.39 H new ATOM 0 HB2 LEU A 29 58.540 9.257 -8.355 1.00 1.45 H new ATOM 0 HB3 LEU A 29 57.383 10.493 -8.806 1.00 1.45 H new ATOM 0 HG LEU A 29 58.610 9.564 -10.788 1.00 1.71 H new ATOM 0 HD11 LEU A 29 59.245 11.753 -11.762 1.00 2.28 H new ATOM 0 HD12 LEU A 29 57.733 11.882 -10.833 1.00 2.28 H new ATOM 0 HD13 LEU A 29 59.260 12.473 -10.135 1.00 2.28 H new ATOM 0 HD21 LEU A 29 61.011 10.132 -11.057 1.00 2.41 H new ATOM 0 HD22 LEU A 29 61.023 10.852 -9.430 1.00 2.41 H new ATOM 0 HD23 LEU A 29 60.755 9.104 -9.628 1.00 2.41 H new ATOM 473 N GLY A 30 57.416 11.782 -6.236 1.00 1.92 N ATOM 474 CA GLY A 30 56.416 12.674 -5.585 1.00 2.16 C ATOM 475 C GLY A 30 56.722 12.780 -4.090 1.00 1.95 C ATOM 476 O GLY A 30 55.834 12.766 -3.262 1.00 2.01 O ATOM 0 H GLY A 30 57.466 10.837 -5.856 1.00 1.92 H new ATOM 0 HA2 GLY A 30 56.442 13.663 -6.043 1.00 2.16 H new ATOM 0 HA3 GLY A 30 55.411 12.280 -5.734 1.00 2.16 H new ATOM 480 N ALA A 31 57.976 12.886 -3.739 1.00 1.94 N ATOM 481 CA ALA A 31 58.339 12.993 -2.297 1.00 1.87 C ATOM 482 C ALA A 31 58.481 14.465 -1.898 1.00 2.03 C ATOM 483 O ALA A 31 58.330 15.354 -2.713 1.00 2.28 O ATOM 484 CB ALA A 31 59.681 12.269 -2.172 1.00 1.50 C ATOM 0 H ALA A 31 58.763 12.903 -4.388 1.00 1.94 H new ATOM 0 HA ALA A 31 57.581 12.559 -1.645 1.00 1.87 H new ATOM 0 HB1 ALA A 31 60.018 12.303 -1.136 1.00 1.50 H new ATOM 0 HB2 ALA A 31 59.564 11.230 -2.481 1.00 1.50 H new ATOM 0 HB3 ALA A 31 60.418 12.757 -2.810 1.00 1.50 H new ATOM 490 N GLU A 32 58.770 14.731 -0.653 1.00 2.22 N ATOM 491 CA GLU A 32 58.920 16.148 -0.209 1.00 2.52 C ATOM 492 C GLU A 32 60.360 16.416 0.240 1.00 2.19 C ATOM 493 O GLU A 32 60.864 17.514 0.117 1.00 2.44 O ATOM 494 CB GLU A 32 57.955 16.302 0.967 1.00 3.02 C ATOM 495 CG GLU A 32 56.575 15.773 0.569 1.00 3.65 C ATOM 496 CD GLU A 32 56.035 16.588 -0.607 1.00 4.03 C ATOM 497 OE1 GLU A 32 56.582 17.646 -0.869 1.00 4.34 O ATOM 498 OE2 GLU A 32 55.083 16.139 -1.226 1.00 4.40 O ATOM 0 H GLU A 32 58.909 14.030 0.075 1.00 2.22 H new ATOM 0 HA GLU A 32 58.702 16.854 -1.010 1.00 2.52 H new ATOM 0 HB2 GLU A 32 58.330 15.755 1.832 1.00 3.02 H new ATOM 0 HB3 GLU A 32 57.884 17.350 1.258 1.00 3.02 H new ATOM 0 HG2 GLU A 32 56.643 14.720 0.295 1.00 3.65 H new ATOM 0 HG3 GLU A 32 55.891 15.839 1.415 1.00 3.65 H new ATOM 505 N ASP A 33 61.026 15.420 0.759 1.00 1.88 N ATOM 506 CA ASP A 33 62.432 15.620 1.214 1.00 1.82 C ATOM 507 C ASP A 33 63.391 14.834 0.317 1.00 1.49 C ATOM 508 O ASP A 33 64.556 14.675 0.625 1.00 1.70 O ATOM 509 CB ASP A 33 62.470 15.077 2.643 1.00 2.02 C ATOM 510 CG ASP A 33 62.026 13.613 2.644 1.00 2.43 C ATOM 511 OD1 ASP A 33 61.913 13.048 1.569 1.00 2.79 O ATOM 512 OD2 ASP A 33 61.807 13.083 3.721 1.00 2.98 O ATOM 0 H ASP A 33 60.658 14.477 0.888 1.00 1.88 H new ATOM 0 HA ASP A 33 62.736 16.666 1.169 1.00 1.82 H new ATOM 0 HB2 ASP A 33 63.478 15.163 3.049 1.00 2.02 H new ATOM 0 HB3 ASP A 33 61.816 15.667 3.285 1.00 2.02 H new ATOM 517 N GLY A 34 62.911 14.341 -0.790 1.00 1.25 N ATOM 518 CA GLY A 34 63.794 13.566 -1.704 1.00 1.06 C ATOM 519 C GLY A 34 64.262 12.290 -1.003 1.00 0.97 C ATOM 520 O GLY A 34 65.443 12.050 -0.854 1.00 1.19 O ATOM 0 H GLY A 34 61.945 14.441 -1.101 1.00 1.25 H new ATOM 0 HA2 GLY A 34 63.257 13.315 -2.619 1.00 1.06 H new ATOM 0 HA3 GLY A 34 64.654 14.170 -1.995 1.00 1.06 H new ATOM 524 N CYS A 35 63.345 11.468 -0.572 1.00 0.83 N ATOM 525 CA CYS A 35 63.742 10.206 0.118 1.00 0.79 C ATOM 526 C CYS A 35 62.790 9.070 -0.264 1.00 0.72 C ATOM 527 O CYS A 35 61.658 9.297 -0.647 1.00 0.75 O ATOM 528 CB CYS A 35 63.634 10.517 1.612 1.00 0.83 C ATOM 529 SG CYS A 35 65.074 11.482 2.131 1.00 1.87 S ATOM 0 H CYS A 35 62.340 11.614 -0.667 1.00 0.83 H new ATOM 0 HA CYS A 35 64.746 9.885 -0.159 1.00 0.79 H new ATOM 0 HB2 CYS A 35 62.718 11.073 1.814 1.00 0.83 H new ATOM 0 HB3 CYS A 35 63.578 9.591 2.184 1.00 0.83 H new ATOM 0 HG CYS A 35 65.736 11.872 1.082 1.00 1.87 H new ATOM 535 N ILE A 36 63.236 7.848 -0.161 1.00 0.68 N ATOM 536 CA ILE A 36 62.352 6.700 -0.518 1.00 0.69 C ATOM 537 C ILE A 36 61.564 6.255 0.718 1.00 0.78 C ATOM 538 O ILE A 36 62.037 5.475 1.521 1.00 0.91 O ATOM 539 CB ILE A 36 63.286 5.576 -0.991 1.00 0.66 C ATOM 540 CG1 ILE A 36 64.502 6.162 -1.719 1.00 0.65 C ATOM 541 CG2 ILE A 36 62.526 4.659 -1.952 1.00 0.65 C ATOM 542 CD1 ILE A 36 65.274 5.034 -2.407 1.00 0.76 C ATOM 0 H ILE A 36 64.172 7.594 0.154 1.00 0.68 H new ATOM 0 HA ILE A 36 61.632 6.965 -1.292 1.00 0.69 H new ATOM 0 HB ILE A 36 63.627 5.013 -0.122 1.00 0.66 H new ATOM 0 HG12 ILE A 36 64.179 6.898 -2.455 1.00 0.65 H new ATOM 0 HG13 ILE A 36 65.148 6.681 -1.011 1.00 0.65 H new ATOM 0 HG21 ILE A 36 63.185 3.860 -2.290 1.00 0.65 H new ATOM 0 HG22 ILE A 36 61.666 4.228 -1.440 1.00 0.65 H new ATOM 0 HG23 ILE A 36 62.184 5.236 -2.812 1.00 0.65 H new ATOM 0 HD11 ILE A 36 66.139 5.448 -2.925 1.00 0.76 H new ATOM 0 HD12 ILE A 36 65.609 4.314 -1.660 1.00 0.76 H new ATOM 0 HD13 ILE A 36 64.625 4.535 -3.126 1.00 0.76 H new ATOM 554 N SER A 37 60.368 6.750 0.880 1.00 0.79 N ATOM 555 CA SER A 37 59.552 6.361 2.068 1.00 0.91 C ATOM 556 C SER A 37 59.373 4.842 2.119 1.00 0.85 C ATOM 557 O SER A 37 59.520 4.154 1.127 1.00 0.92 O ATOM 558 CB SER A 37 58.205 7.052 1.866 1.00 1.09 C ATOM 559 OG SER A 37 57.855 7.752 3.052 1.00 1.94 O ATOM 0 H SER A 37 59.919 7.407 0.242 1.00 0.79 H new ATOM 0 HA SER A 37 60.026 6.654 3.005 1.00 0.91 H new ATOM 0 HB2 SER A 37 58.260 7.743 1.025 1.00 1.09 H new ATOM 0 HB3 SER A 37 57.438 6.316 1.624 1.00 1.09 H new ATOM 0 HG SER A 37 56.992 8.198 2.926 1.00 1.94 H new ATOM 565 N THR A 38 59.053 4.312 3.269 1.00 0.88 N ATOM 566 CA THR A 38 58.860 2.839 3.386 1.00 1.02 C ATOM 567 C THR A 38 57.645 2.402 2.564 1.00 1.13 C ATOM 568 O THR A 38 57.607 1.316 2.021 1.00 1.48 O ATOM 569 CB THR A 38 58.616 2.587 4.874 1.00 1.12 C ATOM 570 OG1 THR A 38 57.489 3.341 5.301 1.00 1.47 O ATOM 571 CG2 THR A 38 59.846 3.009 5.677 1.00 1.25 C ATOM 0 H THR A 38 58.917 4.837 4.133 1.00 0.88 H new ATOM 0 HA THR A 38 59.718 2.279 3.014 1.00 1.02 H new ATOM 0 HB THR A 38 58.428 1.525 5.035 1.00 1.12 H new ATOM 0 HG1 THR A 38 57.330 3.180 6.254 1.00 1.47 H new ATOM 0 HG21 THR A 38 59.668 2.828 6.737 1.00 1.25 H new ATOM 0 HG22 THR A 38 60.710 2.431 5.350 1.00 1.25 H new ATOM 0 HG23 THR A 38 60.038 4.070 5.517 1.00 1.25 H new ATOM 579 N LYS A 39 56.652 3.243 2.470 1.00 1.09 N ATOM 580 CA LYS A 39 55.437 2.883 1.685 1.00 1.33 C ATOM 581 C LYS A 39 55.829 2.444 0.272 1.00 1.20 C ATOM 582 O LYS A 39 55.279 1.508 -0.272 1.00 1.45 O ATOM 583 CB LYS A 39 54.604 4.164 1.635 1.00 1.57 C ATOM 584 CG LYS A 39 53.894 4.366 2.976 1.00 2.27 C ATOM 585 CD LYS A 39 54.571 5.501 3.746 1.00 2.86 C ATOM 586 CE LYS A 39 53.527 6.250 4.577 1.00 3.52 C ATOM 587 NZ LYS A 39 53.007 7.315 3.675 1.00 4.37 N ATOM 0 H LYS A 39 56.629 4.166 2.904 1.00 1.09 H new ATOM 0 HA LYS A 39 54.887 2.055 2.133 1.00 1.33 H new ATOM 0 HB2 LYS A 39 55.245 5.019 1.419 1.00 1.57 H new ATOM 0 HB3 LYS A 39 53.872 4.103 0.830 1.00 1.57 H new ATOM 0 HG2 LYS A 39 52.842 4.601 2.811 1.00 2.27 H new ATOM 0 HG3 LYS A 39 53.927 3.446 3.559 1.00 2.27 H new ATOM 0 HD2 LYS A 39 55.349 5.100 4.396 1.00 2.86 H new ATOM 0 HD3 LYS A 39 55.058 6.186 3.052 1.00 2.86 H new ATOM 0 HE2 LYS A 39 52.728 5.583 4.901 1.00 3.52 H new ATOM 0 HE3 LYS A 39 53.971 6.677 5.476 1.00 3.52 H new ATOM 0 HZ1 LYS A 39 52.285 7.872 4.175 1.00 4.37 H new ATOM 0 HZ2 LYS A 39 53.788 7.939 3.388 1.00 4.37 H new ATOM 0 HZ3 LYS A 39 52.584 6.879 2.831 1.00 4.37 H new ATOM 601 N GLU A 40 56.776 3.114 -0.327 1.00 0.96 N ATOM 602 CA GLU A 40 57.198 2.736 -1.705 1.00 0.95 C ATOM 603 C GLU A 40 58.276 1.649 -1.653 1.00 0.84 C ATOM 604 O GLU A 40 58.518 0.957 -2.622 1.00 0.95 O ATOM 605 CB GLU A 40 57.767 4.020 -2.310 1.00 1.08 C ATOM 606 CG GLU A 40 56.687 5.103 -2.321 1.00 1.33 C ATOM 607 CD GLU A 40 56.640 5.762 -3.701 1.00 1.85 C ATOM 608 OE1 GLU A 40 57.649 5.727 -4.386 1.00 2.70 O ATOM 609 OE2 GLU A 40 55.597 6.290 -4.049 1.00 1.99 O ATOM 0 H GLU A 40 57.275 3.906 0.078 1.00 0.96 H new ATOM 0 HA GLU A 40 56.372 2.336 -2.292 1.00 0.95 H new ATOM 0 HB2 GLU A 40 58.628 4.356 -1.732 1.00 1.08 H new ATOM 0 HB3 GLU A 40 58.118 3.832 -3.325 1.00 1.08 H new ATOM 0 HG2 GLU A 40 55.717 4.667 -2.081 1.00 1.33 H new ATOM 0 HG3 GLU A 40 56.898 5.850 -1.556 1.00 1.33 H new ATOM 616 N LEU A 41 58.928 1.499 -0.532 1.00 0.81 N ATOM 617 CA LEU A 41 59.996 0.462 -0.422 1.00 0.75 C ATOM 618 C LEU A 41 59.547 -0.836 -1.098 1.00 0.77 C ATOM 619 O LEU A 41 60.317 -1.492 -1.773 1.00 0.77 O ATOM 620 CB LEU A 41 60.187 0.248 1.079 1.00 0.82 C ATOM 621 CG LEU A 41 61.456 -0.573 1.318 1.00 0.89 C ATOM 622 CD1 LEU A 41 61.238 -2.007 0.832 1.00 1.10 C ATOM 623 CD2 LEU A 41 62.618 0.055 0.545 1.00 1.20 C ATOM 0 H LEU A 41 58.768 2.049 0.312 1.00 0.81 H new ATOM 0 HA LEU A 41 60.921 0.769 -0.911 1.00 0.75 H new ATOM 0 HB2 LEU A 41 60.261 1.209 1.588 1.00 0.82 H new ATOM 0 HB3 LEU A 41 59.323 -0.268 1.497 1.00 0.82 H new ATOM 0 HG LEU A 41 61.687 -0.583 2.383 1.00 0.89 H new ATOM 0 HD11 LEU A 41 62.143 -2.591 1.003 1.00 1.10 H new ATOM 0 HD12 LEU A 41 60.409 -2.455 1.380 1.00 1.10 H new ATOM 0 HD13 LEU A 41 61.007 -1.999 -0.233 1.00 1.10 H new ATOM 0 HD21 LEU A 41 63.524 -0.528 0.713 1.00 1.20 H new ATOM 0 HD22 LEU A 41 62.384 0.064 -0.520 1.00 1.20 H new ATOM 0 HD23 LEU A 41 62.775 1.077 0.890 1.00 1.20 H new ATOM 635 N GLY A 42 58.310 -1.211 -0.929 1.00 0.88 N ATOM 636 CA GLY A 42 57.821 -2.463 -1.569 1.00 1.02 C ATOM 637 C GLY A 42 57.994 -2.359 -3.083 1.00 0.99 C ATOM 638 O GLY A 42 58.842 -3.004 -3.666 1.00 1.11 O ATOM 0 H GLY A 42 57.618 -0.705 -0.376 1.00 0.88 H new ATOM 0 HA2 GLY A 42 58.375 -3.320 -1.187 1.00 1.02 H new ATOM 0 HA3 GLY A 42 56.772 -2.625 -1.322 1.00 1.02 H new ATOM 642 N LYS A 43 57.202 -1.547 -3.726 1.00 0.91 N ATOM 643 CA LYS A 43 57.330 -1.400 -5.203 1.00 1.00 C ATOM 644 C LYS A 43 58.793 -1.145 -5.575 1.00 0.84 C ATOM 645 O LYS A 43 59.255 -1.548 -6.624 1.00 0.89 O ATOM 646 CB LYS A 43 56.464 -0.192 -5.559 1.00 1.12 C ATOM 647 CG LYS A 43 55.015 -0.641 -5.756 1.00 1.32 C ATOM 648 CD LYS A 43 54.160 0.561 -6.165 1.00 1.85 C ATOM 649 CE LYS A 43 52.990 0.088 -7.029 1.00 2.24 C ATOM 650 NZ LYS A 43 52.822 1.150 -8.060 1.00 2.80 N ATOM 0 H LYS A 43 56.473 -0.980 -3.294 1.00 0.91 H new ATOM 0 HA LYS A 43 57.014 -2.294 -5.740 1.00 1.00 H new ATOM 0 HB2 LYS A 43 56.520 0.554 -4.767 1.00 1.12 H new ATOM 0 HB3 LYS A 43 56.836 0.280 -6.468 1.00 1.12 H new ATOM 0 HG2 LYS A 43 54.964 -1.415 -6.522 1.00 1.32 H new ATOM 0 HG3 LYS A 43 54.630 -1.078 -4.835 1.00 1.32 H new ATOM 0 HD2 LYS A 43 53.787 1.073 -5.278 1.00 1.85 H new ATOM 0 HD3 LYS A 43 54.766 1.280 -6.717 1.00 1.85 H new ATOM 0 HE2 LYS A 43 53.202 -0.878 -7.487 1.00 2.24 H new ATOM 0 HE3 LYS A 43 52.084 -0.033 -6.435 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 52.036 0.898 -8.693 1.00 2.80 H new ATOM 0 HZ2 LYS A 43 52.614 2.056 -7.594 1.00 2.80 H new ATOM 0 HZ3 LYS A 43 53.698 1.238 -8.614 1.00 2.80 H new ATOM 664 N VAL A 44 59.525 -0.484 -4.720 1.00 0.75 N ATOM 665 CA VAL A 44 60.959 -0.209 -5.022 1.00 0.68 C ATOM 666 C VAL A 44 61.729 -1.525 -5.146 1.00 0.68 C ATOM 667 O VAL A 44 62.527 -1.709 -6.043 1.00 0.76 O ATOM 668 CB VAL A 44 61.473 0.593 -3.825 1.00 0.72 C ATOM 669 CG1 VAL A 44 62.956 0.911 -4.026 1.00 1.10 C ATOM 670 CG2 VAL A 44 60.687 1.900 -3.704 1.00 1.70 C ATOM 0 H VAL A 44 59.192 -0.123 -3.826 1.00 0.75 H new ATOM 0 HA VAL A 44 61.086 0.331 -5.960 1.00 0.68 H new ATOM 0 HB VAL A 44 61.343 0.007 -2.915 1.00 0.72 H new ATOM 0 HG11 VAL A 44 63.324 1.483 -3.174 1.00 1.10 H new ATOM 0 HG12 VAL A 44 63.519 -0.018 -4.110 1.00 1.10 H new ATOM 0 HG13 VAL A 44 63.082 1.496 -4.937 1.00 1.10 H new ATOM 0 HG21 VAL A 44 61.056 2.469 -2.850 1.00 1.70 H new ATOM 0 HG22 VAL A 44 60.815 2.487 -4.614 1.00 1.70 H new ATOM 0 HG23 VAL A 44 59.630 1.677 -3.562 1.00 1.70 H new ATOM 680 N MET A 45 61.495 -2.442 -4.247 1.00 0.79 N ATOM 681 CA MET A 45 62.213 -3.748 -4.304 1.00 0.99 C ATOM 682 C MET A 45 61.722 -4.574 -5.494 1.00 1.03 C ATOM 683 O MET A 45 62.444 -5.388 -6.036 1.00 1.16 O ATOM 684 CB MET A 45 61.864 -4.442 -2.987 1.00 1.26 C ATOM 685 CG MET A 45 62.739 -3.880 -1.866 1.00 1.54 C ATOM 686 SD MET A 45 64.068 -5.050 -1.491 1.00 2.11 S ATOM 687 CE MET A 45 65.450 -3.977 -1.952 1.00 1.74 C ATOM 0 H MET A 45 60.837 -2.343 -3.474 1.00 0.79 H new ATOM 0 HA MET A 45 63.289 -3.625 -4.431 1.00 0.99 H new ATOM 0 HB2 MET A 45 60.811 -4.290 -2.752 1.00 1.26 H new ATOM 0 HB3 MET A 45 62.018 -5.517 -3.078 1.00 1.26 H new ATOM 0 HG2 MET A 45 63.159 -2.920 -2.165 1.00 1.54 H new ATOM 0 HG3 MET A 45 62.136 -3.700 -0.976 1.00 1.54 H new ATOM 0 HE1 MET A 45 66.378 -4.389 -1.557 1.00 1.74 H new ATOM 0 HE2 MET A 45 65.515 -3.914 -3.038 1.00 1.74 H new ATOM 0 HE3 MET A 45 65.291 -2.981 -1.539 1.00 1.74 H new ATOM 697 N ARG A 46 60.500 -4.373 -5.905 1.00 1.05 N ATOM 698 CA ARG A 46 59.965 -5.149 -7.060 1.00 1.22 C ATOM 699 C ARG A 46 60.751 -4.813 -8.330 1.00 1.26 C ATOM 700 O ARG A 46 61.034 -5.672 -9.142 1.00 1.51 O ATOM 701 CB ARG A 46 58.509 -4.705 -7.195 1.00 1.28 C ATOM 702 CG ARG A 46 57.655 -5.434 -6.155 1.00 1.46 C ATOM 703 CD ARG A 46 56.197 -5.463 -6.622 1.00 1.98 C ATOM 704 NE ARG A 46 55.406 -5.745 -5.392 1.00 2.34 N ATOM 705 CZ ARG A 46 54.103 -5.679 -5.424 1.00 2.82 C ATOM 706 NH1 ARG A 46 53.511 -4.836 -6.226 1.00 3.34 N ATOM 707 NH2 ARG A 46 53.391 -6.459 -4.656 1.00 3.26 N ATOM 0 H ARG A 46 59.849 -3.705 -5.491 1.00 1.05 H new ATOM 0 HA ARG A 46 60.049 -6.225 -6.910 1.00 1.22 H new ATOM 0 HB2 ARG A 46 58.432 -3.627 -7.054 1.00 1.28 H new ATOM 0 HB3 ARG A 46 58.143 -4.922 -8.199 1.00 1.28 H new ATOM 0 HG2 ARG A 46 58.023 -6.450 -6.014 1.00 1.46 H new ATOM 0 HG3 ARG A 46 57.729 -4.931 -5.191 1.00 1.46 H new ATOM 0 HD2 ARG A 46 55.906 -4.512 -7.069 1.00 1.98 H new ATOM 0 HD3 ARG A 46 56.040 -6.232 -7.378 1.00 1.98 H new ATOM 0 HE ARG A 46 55.883 -5.990 -4.524 1.00 2.34 H new ATOM 0 HH11 ARG A 46 54.067 -4.229 -6.828 1.00 3.34 H new ATOM 0 HH12 ARG A 46 52.493 -4.785 -6.251 1.00 3.34 H new ATOM 0 HH21 ARG A 46 53.853 -7.120 -4.031 1.00 3.26 H new ATOM 0 HH22 ARG A 46 52.373 -6.408 -4.681 1.00 3.26 H new ATOM 721 N MET A 47 61.107 -3.571 -8.508 1.00 1.11 N ATOM 722 CA MET A 47 61.875 -3.181 -9.726 1.00 1.26 C ATOM 723 C MET A 47 63.328 -3.651 -9.605 1.00 1.19 C ATOM 724 O MET A 47 63.909 -4.151 -10.547 1.00 1.31 O ATOM 725 CB MET A 47 61.805 -1.655 -9.767 1.00 1.28 C ATOM 726 CG MET A 47 60.351 -1.208 -9.602 1.00 1.46 C ATOM 727 SD MET A 47 60.041 0.239 -10.645 1.00 1.99 S ATOM 728 CE MET A 47 61.377 1.275 -10.001 1.00 2.19 C ATOM 0 H MET A 47 60.900 -2.808 -7.863 1.00 1.11 H new ATOM 0 HA MET A 47 61.470 -3.630 -10.633 1.00 1.26 H new ATOM 0 HB2 MET A 47 62.420 -1.230 -8.973 1.00 1.28 H new ATOM 0 HB3 MET A 47 62.205 -1.287 -10.712 1.00 1.28 H new ATOM 0 HG2 MET A 47 59.677 -2.019 -9.877 1.00 1.46 H new ATOM 0 HG3 MET A 47 60.150 -0.967 -8.558 1.00 1.46 H new ATOM 0 HE1 MET A 47 60.976 2.244 -9.706 1.00 2.19 H new ATOM 0 HE2 MET A 47 61.828 0.790 -9.135 1.00 2.19 H new ATOM 0 HE3 MET A 47 62.133 1.416 -10.773 1.00 2.19 H new ATOM 738 N LEU A 48 63.916 -3.497 -8.450 1.00 1.09 N ATOM 739 CA LEU A 48 65.329 -3.936 -8.267 1.00 1.18 C ATOM 740 C LEU A 48 65.454 -5.440 -8.522 1.00 1.51 C ATOM 741 O LEU A 48 66.067 -5.868 -9.479 1.00 1.89 O ATOM 742 CB LEU A 48 65.657 -3.613 -6.808 1.00 1.18 C ATOM 743 CG LEU A 48 65.496 -2.112 -6.569 1.00 1.35 C ATOM 744 CD1 LEU A 48 65.804 -1.792 -5.105 1.00 2.05 C ATOM 745 CD2 LEU A 48 66.465 -1.348 -7.474 1.00 1.70 C ATOM 0 H LEU A 48 63.479 -3.086 -7.625 1.00 1.09 H new ATOM 0 HA LEU A 48 66.008 -3.439 -8.959 1.00 1.18 H new ATOM 0 HB2 LEU A 48 64.997 -4.171 -6.144 1.00 1.18 H new ATOM 0 HB3 LEU A 48 66.676 -3.922 -6.577 1.00 1.18 H new ATOM 0 HG LEU A 48 64.473 -1.814 -6.797 1.00 1.35 H new ATOM 0 HD11 LEU A 48 65.689 -0.722 -4.935 1.00 2.05 H new ATOM 0 HD12 LEU A 48 65.115 -2.338 -4.461 1.00 2.05 H new ATOM 0 HD13 LEU A 48 66.828 -2.088 -4.875 1.00 2.05 H new ATOM 0 HD21 LEU A 48 66.352 -0.277 -7.306 1.00 1.70 H new ATOM 0 HD22 LEU A 48 67.488 -1.646 -7.245 1.00 1.70 H new ATOM 0 HD23 LEU A 48 66.246 -1.576 -8.517 1.00 1.70 H new ATOM 757 N GLY A 49 64.876 -6.243 -7.672 1.00 1.56 N ATOM 758 CA GLY A 49 64.960 -7.719 -7.863 1.00 1.97 C ATOM 759 C GLY A 49 64.773 -8.415 -6.515 1.00 1.69 C ATOM 760 O GLY A 49 65.450 -9.375 -6.201 1.00 1.87 O ATOM 0 H GLY A 49 64.349 -5.941 -6.853 1.00 1.56 H new ATOM 0 HA2 GLY A 49 64.195 -8.050 -8.565 1.00 1.97 H new ATOM 0 HA3 GLY A 49 65.925 -7.987 -8.293 1.00 1.97 H new ATOM 764 N GLN A 50 63.862 -7.939 -5.712 1.00 1.38 N ATOM 765 CA GLN A 50 63.634 -8.571 -4.382 1.00 1.26 C ATOM 766 C GLN A 50 62.150 -8.897 -4.195 1.00 1.19 C ATOM 767 O GLN A 50 61.322 -8.572 -5.024 1.00 1.25 O ATOM 768 CB GLN A 50 64.084 -7.523 -3.367 1.00 1.39 C ATOM 769 CG GLN A 50 65.601 -7.605 -3.192 1.00 1.69 C ATOM 770 CD GLN A 50 66.258 -6.417 -3.893 1.00 2.12 C ATOM 771 OE1 GLN A 50 65.702 -5.856 -4.817 1.00 2.58 O ATOM 772 NE2 GLN A 50 67.428 -6.004 -3.491 1.00 2.76 N ATOM 0 H GLN A 50 63.265 -7.139 -5.920 1.00 1.38 H new ATOM 0 HA GLN A 50 64.179 -9.509 -4.272 1.00 1.26 H new ATOM 0 HB2 GLN A 50 63.799 -6.527 -3.706 1.00 1.39 H new ATOM 0 HB3 GLN A 50 63.587 -7.689 -2.411 1.00 1.39 H new ATOM 0 HG2 GLN A 50 65.856 -7.603 -2.132 1.00 1.69 H new ATOM 0 HG3 GLN A 50 65.976 -8.540 -3.608 1.00 1.69 H new ATOM 0 HE21 GLN A 50 67.896 -6.474 -2.716 1.00 2.76 H new ATOM 0 HE22 GLN A 50 67.875 -5.211 -3.952 1.00 2.76 H new ATOM 781 N ASN A 51 61.807 -9.534 -3.110 1.00 1.22 N ATOM 782 CA ASN A 51 60.377 -9.877 -2.864 1.00 1.29 C ATOM 783 C ASN A 51 60.065 -9.773 -1.370 1.00 1.25 C ATOM 784 O ASN A 51 59.639 -10.729 -0.755 1.00 1.41 O ATOM 785 CB ASN A 51 60.226 -11.321 -3.344 1.00 1.54 C ATOM 786 CG ASN A 51 58.744 -11.696 -3.372 1.00 1.88 C ATOM 787 OD1 ASN A 51 58.049 -11.401 -4.325 1.00 2.25 O ATOM 788 ND2 ASN A 51 58.225 -12.340 -2.362 1.00 2.57 N ATOM 0 H ASN A 51 62.456 -9.833 -2.382 1.00 1.22 H new ATOM 0 HA ASN A 51 59.694 -9.204 -3.382 1.00 1.29 H new ATOM 0 HB2 ASN A 51 60.659 -11.432 -4.338 1.00 1.54 H new ATOM 0 HB3 ASN A 51 60.770 -11.994 -2.682 1.00 1.54 H new ATOM 0 HD21 ASN A 51 57.237 -12.595 -2.373 1.00 2.57 H new ATOM 0 HD22 ASN A 51 58.807 -12.588 -1.562 1.00 2.57 H new ATOM 795 N PRO A 52 60.297 -8.604 -0.838 1.00 1.15 N ATOM 796 CA PRO A 52 60.046 -8.359 0.604 1.00 1.20 C ATOM 797 C PRO A 52 58.543 -8.289 0.886 1.00 1.33 C ATOM 798 O PRO A 52 57.776 -7.766 0.102 1.00 1.45 O ATOM 799 CB PRO A 52 60.709 -7.007 0.856 1.00 1.19 C ATOM 800 CG PRO A 52 60.725 -6.330 -0.478 1.00 1.20 C ATOM 801 CD PRO A 52 60.808 -7.412 -1.522 1.00 1.14 C ATOM 0 HA PRO A 52 60.436 -9.149 1.246 1.00 1.20 H new ATOM 0 HB2 PRO A 52 60.151 -6.424 1.588 1.00 1.19 H new ATOM 0 HB3 PRO A 52 61.718 -7.129 1.249 1.00 1.19 H new ATOM 0 HG2 PRO A 52 59.826 -5.730 -0.616 1.00 1.20 H new ATOM 0 HG3 PRO A 52 61.576 -5.653 -0.556 1.00 1.20 H new ATOM 0 HD2 PRO A 52 60.209 -7.167 -2.399 1.00 1.14 H new ATOM 0 HD3 PRO A 52 61.832 -7.557 -1.866 1.00 1.14 H new ATOM 809 N THR A 53 58.120 -8.807 2.005 1.00 1.39 N ATOM 810 CA THR A 53 56.668 -8.769 2.345 1.00 1.58 C ATOM 811 C THR A 53 56.257 -7.342 2.722 1.00 1.47 C ATOM 812 O THR A 53 57.092 -6.466 2.833 1.00 1.27 O ATOM 813 CB THR A 53 56.518 -9.704 3.550 1.00 1.77 C ATOM 814 OG1 THR A 53 57.798 -9.966 4.110 1.00 1.69 O ATOM 815 CG2 THR A 53 55.878 -11.020 3.103 1.00 1.97 C ATOM 0 H THR A 53 58.716 -9.256 2.700 1.00 1.39 H new ATOM 0 HA THR A 53 56.038 -9.076 1.510 1.00 1.58 H new ATOM 0 HB THR A 53 55.884 -9.229 4.298 1.00 1.77 H new ATOM 0 HG1 THR A 53 58.179 -10.768 3.695 1.00 1.69 H new ATOM 0 HG21 THR A 53 55.772 -11.683 3.961 1.00 1.97 H new ATOM 0 HG22 THR A 53 54.895 -10.820 2.676 1.00 1.97 H new ATOM 0 HG23 THR A 53 56.510 -11.495 2.353 1.00 1.97 H new ATOM 823 N PRO A 54 54.979 -7.159 2.910 1.00 1.64 N ATOM 824 CA PRO A 54 54.451 -5.825 3.285 1.00 1.63 C ATOM 825 C PRO A 54 54.840 -5.494 4.728 1.00 1.55 C ATOM 826 O PRO A 54 54.974 -4.345 5.099 1.00 1.47 O ATOM 827 CB PRO A 54 52.940 -5.984 3.146 1.00 1.92 C ATOM 828 CG PRO A 54 52.692 -7.449 3.311 1.00 2.08 C ATOM 829 CD PRO A 54 53.916 -8.162 2.795 1.00 1.93 C ATOM 0 HA PRO A 54 54.842 -5.015 2.669 1.00 1.63 H new ATOM 0 HB2 PRO A 54 52.410 -5.406 3.903 1.00 1.92 H new ATOM 0 HB3 PRO A 54 52.593 -5.631 2.175 1.00 1.92 H new ATOM 0 HG2 PRO A 54 52.515 -7.695 4.358 1.00 2.08 H new ATOM 0 HG3 PRO A 54 51.805 -7.755 2.757 1.00 2.08 H new ATOM 0 HD2 PRO A 54 54.139 -9.051 3.385 1.00 1.93 H new ATOM 0 HD3 PRO A 54 53.784 -8.488 1.763 1.00 1.93 H new ATOM 837 N GLU A 55 55.028 -6.497 5.543 1.00 1.61 N ATOM 838 CA GLU A 55 55.416 -6.246 6.959 1.00 1.58 C ATOM 839 C GLU A 55 56.925 -6.013 7.047 1.00 1.42 C ATOM 840 O GLU A 55 57.429 -5.484 8.016 1.00 1.36 O ATOM 841 CB GLU A 55 55.024 -7.520 7.709 1.00 1.74 C ATOM 842 CG GLU A 55 55.636 -7.498 9.112 1.00 2.16 C ATOM 843 CD GLU A 55 54.904 -6.468 9.974 1.00 2.56 C ATOM 844 OE1 GLU A 55 54.693 -5.365 9.495 1.00 2.83 O ATOM 845 OE2 GLU A 55 54.567 -6.799 11.099 1.00 3.10 O ATOM 0 H GLU A 55 54.929 -7.480 5.288 1.00 1.61 H new ATOM 0 HA GLU A 55 54.929 -5.365 7.377 1.00 1.58 H new ATOM 0 HB2 GLU A 55 53.939 -7.596 7.776 1.00 1.74 H new ATOM 0 HB3 GLU A 55 55.372 -8.397 7.163 1.00 1.74 H new ATOM 0 HG2 GLU A 55 55.563 -8.486 9.567 1.00 2.16 H new ATOM 0 HG3 GLU A 55 56.696 -7.251 9.054 1.00 2.16 H new ATOM 852 N GLU A 56 57.648 -6.405 6.033 1.00 1.38 N ATOM 853 CA GLU A 56 59.126 -6.208 6.043 1.00 1.26 C ATOM 854 C GLU A 56 59.469 -4.804 5.540 1.00 1.14 C ATOM 855 O GLU A 56 60.494 -4.245 5.878 1.00 1.07 O ATOM 856 CB GLU A 56 59.667 -7.266 5.084 1.00 1.32 C ATOM 857 CG GLU A 56 60.006 -8.539 5.862 1.00 2.10 C ATOM 858 CD GLU A 56 61.191 -9.243 5.197 1.00 2.79 C ATOM 859 OE1 GLU A 56 61.037 -9.682 4.070 1.00 3.40 O ATOM 860 OE2 GLU A 56 62.232 -9.330 5.827 1.00 3.18 O ATOM 0 H GLU A 56 57.278 -6.855 5.196 1.00 1.38 H new ATOM 0 HA GLU A 56 59.554 -6.304 7.041 1.00 1.26 H new ATOM 0 HB2 GLU A 56 58.928 -7.485 4.313 1.00 1.32 H new ATOM 0 HB3 GLU A 56 60.555 -6.891 4.576 1.00 1.32 H new ATOM 0 HG2 GLU A 56 60.249 -8.292 6.896 1.00 2.10 H new ATOM 0 HG3 GLU A 56 59.142 -9.203 5.887 1.00 2.10 H new ATOM 867 N LEU A 57 58.619 -4.236 4.732 1.00 1.17 N ATOM 868 CA LEU A 57 58.889 -2.869 4.199 1.00 1.13 C ATOM 869 C LEU A 57 59.435 -1.959 5.304 1.00 1.06 C ATOM 870 O LEU A 57 60.537 -1.457 5.218 1.00 1.02 O ATOM 871 CB LEU A 57 57.531 -2.362 3.714 1.00 1.24 C ATOM 872 CG LEU A 57 57.488 -2.386 2.185 1.00 1.41 C ATOM 873 CD1 LEU A 57 57.569 -3.831 1.691 1.00 1.93 C ATOM 874 CD2 LEU A 57 56.177 -1.759 1.707 1.00 1.87 C ATOM 0 H LEU A 57 57.746 -4.659 4.416 1.00 1.17 H new ATOM 0 HA LEU A 57 59.634 -2.879 3.404 1.00 1.13 H new ATOM 0 HB2 LEU A 57 56.734 -2.985 4.120 1.00 1.24 H new ATOM 0 HB3 LEU A 57 57.360 -1.348 4.076 1.00 1.24 H new ATOM 0 HG LEU A 57 58.332 -1.821 1.789 1.00 1.41 H new ATOM 0 HD11 LEU A 57 57.538 -3.845 0.602 1.00 1.93 H new ATOM 0 HD12 LEU A 57 58.501 -4.281 2.034 1.00 1.93 H new ATOM 0 HD13 LEU A 57 56.726 -4.398 2.085 1.00 1.93 H new ATOM 0 HD21 LEU A 57 56.142 -1.774 0.618 1.00 1.87 H new ATOM 0 HD22 LEU A 57 55.336 -2.327 2.105 1.00 1.87 H new ATOM 0 HD23 LEU A 57 56.117 -0.729 2.058 1.00 1.87 H new ATOM 886 N GLN A 58 58.670 -1.737 6.338 1.00 1.09 N ATOM 887 CA GLN A 58 59.148 -0.852 7.440 1.00 1.08 C ATOM 888 C GLN A 58 60.093 -1.618 8.371 1.00 1.04 C ATOM 889 O GLN A 58 60.966 -1.045 8.991 1.00 1.05 O ATOM 890 CB GLN A 58 57.883 -0.429 8.189 1.00 1.15 C ATOM 891 CG GLN A 58 58.268 0.366 9.439 1.00 1.39 C ATOM 892 CD GLN A 58 58.966 1.663 9.026 1.00 1.62 C ATOM 893 OE1 GLN A 58 58.362 2.717 9.026 1.00 2.20 O ATOM 894 NE2 GLN A 58 60.221 1.630 8.668 1.00 1.88 N ATOM 0 H GLN A 58 57.737 -2.129 6.468 1.00 1.09 H new ATOM 0 HA GLN A 58 59.705 0.006 7.063 1.00 1.08 H new ATOM 0 HB2 GLN A 58 57.250 0.177 7.541 1.00 1.15 H new ATOM 0 HB3 GLN A 58 57.303 -1.308 8.469 1.00 1.15 H new ATOM 0 HG2 GLN A 58 57.379 0.591 10.028 1.00 1.39 H new ATOM 0 HG3 GLN A 58 58.927 -0.228 10.072 1.00 1.39 H new ATOM 0 HE21 GLN A 58 60.728 0.745 8.668 1.00 1.88 H new ATOM 0 HE22 GLN A 58 60.694 2.489 8.388 1.00 1.88 H new ATOM 903 N GLU A 59 59.928 -2.908 8.476 1.00 1.07 N ATOM 904 CA GLU A 59 60.820 -3.702 9.370 1.00 1.09 C ATOM 905 C GLU A 59 62.262 -3.652 8.857 1.00 1.07 C ATOM 906 O GLU A 59 63.161 -3.217 9.549 1.00 1.08 O ATOM 907 CB GLU A 59 60.275 -5.130 9.306 1.00 1.17 C ATOM 908 CG GLU A 59 59.556 -5.460 10.616 1.00 1.28 C ATOM 909 CD GLU A 59 60.583 -5.651 11.732 1.00 1.84 C ATOM 910 OE1 GLU A 59 61.479 -6.459 11.554 1.00 2.48 O ATOM 911 OE2 GLU A 59 60.456 -4.987 12.747 1.00 2.18 O ATOM 0 H GLU A 59 59.216 -3.446 7.983 1.00 1.07 H new ATOM 0 HA GLU A 59 60.833 -3.317 10.390 1.00 1.09 H new ATOM 0 HB2 GLU A 59 59.588 -5.231 8.466 1.00 1.17 H new ATOM 0 HB3 GLU A 59 61.090 -5.835 9.138 1.00 1.17 H new ATOM 0 HG2 GLU A 59 58.867 -4.657 10.876 1.00 1.28 H new ATOM 0 HG3 GLU A 59 58.961 -6.365 10.497 1.00 1.28 H new ATOM 918 N MET A 60 62.490 -4.090 7.649 1.00 1.08 N ATOM 919 CA MET A 60 63.875 -4.061 7.094 1.00 1.09 C ATOM 920 C MET A 60 64.352 -2.613 6.953 1.00 1.10 C ATOM 921 O MET A 60 65.535 -2.340 6.911 1.00 1.47 O ATOM 922 CB MET A 60 63.769 -4.724 5.720 1.00 1.09 C ATOM 923 CG MET A 60 64.560 -6.034 5.718 1.00 1.42 C ATOM 924 SD MET A 60 66.298 -5.690 5.347 1.00 1.89 S ATOM 925 CE MET A 60 66.764 -7.374 4.878 1.00 1.71 C ATOM 0 H MET A 60 61.779 -4.466 7.022 1.00 1.08 H new ATOM 0 HA MET A 60 64.589 -4.574 7.738 1.00 1.09 H new ATOM 0 HB2 MET A 60 62.724 -4.918 5.479 1.00 1.09 H new ATOM 0 HB3 MET A 60 64.154 -4.054 4.951 1.00 1.09 H new ATOM 0 HG2 MET A 60 64.474 -6.524 6.688 1.00 1.42 H new ATOM 0 HG3 MET A 60 64.148 -6.719 4.977 1.00 1.42 H new ATOM 0 HE1 MET A 60 67.695 -7.646 5.375 1.00 1.71 H new ATOM 0 HE2 MET A 60 65.977 -8.066 5.178 1.00 1.71 H new ATOM 0 HE3 MET A 60 66.901 -7.426 3.798 1.00 1.71 H new ATOM 935 N ILE A 61 63.438 -1.686 6.880 1.00 0.91 N ATOM 936 CA ILE A 61 63.833 -0.257 6.739 1.00 0.95 C ATOM 937 C ILE A 61 64.012 0.378 8.123 1.00 0.94 C ATOM 938 O ILE A 61 64.983 1.060 8.383 1.00 1.06 O ATOM 939 CB ILE A 61 62.673 0.398 5.980 1.00 1.03 C ATOM 940 CG1 ILE A 61 62.823 0.125 4.479 1.00 1.35 C ATOM 941 CG2 ILE A 61 62.681 1.910 6.218 1.00 1.55 C ATOM 942 CD1 ILE A 61 63.171 -1.349 4.250 1.00 1.56 C ATOM 0 H ILE A 61 62.433 -1.857 6.912 1.00 0.91 H new ATOM 0 HA ILE A 61 64.780 -0.133 6.213 1.00 0.95 H new ATOM 0 HB ILE A 61 61.733 -0.020 6.339 1.00 1.03 H new ATOM 0 HG12 ILE A 61 61.897 0.374 3.961 1.00 1.35 H new ATOM 0 HG13 ILE A 61 63.603 0.761 4.061 1.00 1.35 H new ATOM 0 HG21 ILE A 61 61.854 2.368 5.675 1.00 1.55 H new ATOM 0 HG22 ILE A 61 62.572 2.111 7.284 1.00 1.55 H new ATOM 0 HG23 ILE A 61 63.623 2.329 5.865 1.00 1.55 H new ATOM 0 HD11 ILE A 61 63.276 -1.536 3.181 1.00 1.56 H new ATOM 0 HD12 ILE A 61 64.109 -1.584 4.754 1.00 1.56 H new ATOM 0 HD13 ILE A 61 62.376 -1.977 4.652 1.00 1.56 H new ATOM 954 N ASP A 62 63.083 0.157 9.014 1.00 1.09 N ATOM 955 CA ASP A 62 63.204 0.747 10.378 1.00 1.09 C ATOM 956 C ASP A 62 64.459 0.212 11.075 1.00 1.11 C ATOM 957 O ASP A 62 64.952 0.795 12.020 1.00 1.24 O ATOM 958 CB ASP A 62 61.944 0.297 11.119 1.00 1.22 C ATOM 959 CG ASP A 62 62.116 0.550 12.618 1.00 1.40 C ATOM 960 OD1 ASP A 62 62.089 1.705 13.011 1.00 1.91 O ATOM 961 OD2 ASP A 62 62.269 -0.416 13.348 1.00 1.87 O ATOM 0 H ASP A 62 62.247 -0.406 8.857 1.00 1.09 H new ATOM 0 HA ASP A 62 63.294 1.833 10.352 1.00 1.09 H new ATOM 0 HB2 ASP A 62 61.076 0.840 10.745 1.00 1.22 H new ATOM 0 HB3 ASP A 62 61.761 -0.762 10.937 1.00 1.22 H new ATOM 966 N GLU A 63 64.979 -0.894 10.616 1.00 1.18 N ATOM 967 CA GLU A 63 66.201 -1.465 11.251 1.00 1.31 C ATOM 968 C GLU A 63 67.456 -0.923 10.562 1.00 1.18 C ATOM 969 O GLU A 63 68.422 -0.562 11.205 1.00 1.41 O ATOM 970 CB GLU A 63 66.087 -2.975 11.041 1.00 1.50 C ATOM 971 CG GLU A 63 65.079 -3.554 12.034 1.00 1.93 C ATOM 972 CD GLU A 63 65.818 -4.370 13.095 1.00 1.91 C ATOM 973 OE1 GLU A 63 66.707 -3.819 13.724 1.00 2.24 O ATOM 974 OE2 GLU A 63 65.484 -5.531 13.261 1.00 2.33 O ATOM 0 H GLU A 63 64.610 -1.427 9.828 1.00 1.18 H new ATOM 0 HA GLU A 63 66.279 -1.204 12.306 1.00 1.31 H new ATOM 0 HB2 GLU A 63 65.771 -3.188 10.020 1.00 1.50 H new ATOM 0 HB3 GLU A 63 67.060 -3.446 11.178 1.00 1.50 H new ATOM 0 HG2 GLU A 63 64.515 -2.750 12.506 1.00 1.93 H new ATOM 0 HG3 GLU A 63 64.359 -4.184 11.512 1.00 1.93 H new ATOM 981 N VAL A 64 67.450 -0.867 9.258 1.00 0.93 N ATOM 982 CA VAL A 64 68.642 -0.349 8.529 1.00 0.92 C ATOM 983 C VAL A 64 68.744 1.171 8.699 1.00 0.95 C ATOM 984 O VAL A 64 69.782 1.762 8.475 1.00 1.37 O ATOM 985 CB VAL A 64 68.402 -0.718 7.065 1.00 0.91 C ATOM 986 CG1 VAL A 64 67.354 0.219 6.460 1.00 1.66 C ATOM 987 CG2 VAL A 64 69.711 -0.587 6.284 1.00 1.51 C ATOM 0 H VAL A 64 66.672 -1.157 8.666 1.00 0.93 H new ATOM 0 HA VAL A 64 69.575 -0.771 8.904 1.00 0.92 H new ATOM 0 HB VAL A 64 68.043 -1.746 7.008 1.00 0.91 H new ATOM 0 HG11 VAL A 64 67.186 -0.048 5.417 1.00 1.66 H new ATOM 0 HG12 VAL A 64 66.419 0.125 7.013 1.00 1.66 H new ATOM 0 HG13 VAL A 64 67.709 1.248 6.519 1.00 1.66 H new ATOM 0 HG21 VAL A 64 69.540 -0.850 5.240 1.00 1.51 H new ATOM 0 HG22 VAL A 64 70.070 0.440 6.345 1.00 1.51 H new ATOM 0 HG23 VAL A 64 70.457 -1.258 6.710 1.00 1.51 H new ATOM 997 N ASP A 65 67.673 1.805 9.092 1.00 0.96 N ATOM 998 CA ASP A 65 67.706 3.285 9.276 1.00 1.02 C ATOM 999 C ASP A 65 68.901 3.685 10.147 1.00 1.06 C ATOM 1000 O ASP A 65 69.239 3.014 11.101 1.00 1.22 O ATOM 1001 CB ASP A 65 66.392 3.628 9.979 1.00 1.24 C ATOM 1002 CG ASP A 65 65.944 5.032 9.570 1.00 1.68 C ATOM 1003 OD1 ASP A 65 66.668 5.669 8.822 1.00 2.50 O ATOM 1004 OD2 ASP A 65 64.886 5.447 10.012 1.00 1.96 O ATOM 0 H ASP A 65 66.776 1.363 9.294 1.00 0.96 H new ATOM 0 HA ASP A 65 67.812 3.815 8.329 1.00 1.02 H new ATOM 0 HB2 ASP A 65 65.626 2.899 9.715 1.00 1.24 H new ATOM 0 HB3 ASP A 65 66.522 3.577 11.060 1.00 1.24 H new ATOM 1009 N GLU A 66 69.544 4.774 9.822 1.00 1.15 N ATOM 1010 CA GLU A 66 70.719 5.217 10.628 1.00 1.37 C ATOM 1011 C GLU A 66 70.335 6.404 11.516 1.00 1.34 C ATOM 1012 O GLU A 66 70.951 6.654 12.533 1.00 1.62 O ATOM 1013 CB GLU A 66 71.767 5.636 9.598 1.00 1.74 C ATOM 1014 CG GLU A 66 72.956 6.284 10.310 1.00 1.95 C ATOM 1015 CD GLU A 66 73.407 7.517 9.527 1.00 2.73 C ATOM 1016 OE1 GLU A 66 72.562 8.341 9.219 1.00 3.12 O ATOM 1017 OE2 GLU A 66 74.590 7.617 9.248 1.00 3.39 O ATOM 0 H GLU A 66 69.307 5.376 9.034 1.00 1.15 H new ATOM 0 HA GLU A 66 71.086 4.432 11.289 1.00 1.37 H new ATOM 0 HB2 GLU A 66 72.100 4.768 9.029 1.00 1.74 H new ATOM 0 HB3 GLU A 66 71.331 6.336 8.885 1.00 1.74 H new ATOM 0 HG2 GLU A 66 72.676 6.567 11.325 1.00 1.95 H new ATOM 0 HG3 GLU A 66 73.777 5.572 10.392 1.00 1.95 H new ATOM 1024 N ASP A 67 69.325 7.139 11.138 1.00 1.42 N ATOM 1025 CA ASP A 67 68.905 8.311 11.960 1.00 1.67 C ATOM 1026 C ASP A 67 67.480 8.108 12.480 1.00 1.70 C ATOM 1027 O ASP A 67 66.861 9.018 12.995 1.00 2.12 O ATOM 1028 CB ASP A 67 68.962 9.503 11.004 1.00 2.50 C ATOM 1029 CG ASP A 67 68.219 9.158 9.712 1.00 3.17 C ATOM 1030 OD1 ASP A 67 67.253 8.417 9.787 1.00 3.45 O ATOM 1031 OD2 ASP A 67 68.629 9.642 8.669 1.00 3.83 O ATOM 0 H ASP A 67 68.772 6.979 10.296 1.00 1.42 H new ATOM 0 HA ASP A 67 69.543 8.456 12.832 1.00 1.67 H new ATOM 0 HB2 ASP A 67 68.513 10.379 11.471 1.00 2.50 H new ATOM 0 HB3 ASP A 67 69.999 9.756 10.783 1.00 2.50 H new ATOM 1036 N GLY A 68 66.955 6.920 12.350 1.00 1.77 N ATOM 1037 CA GLY A 68 65.570 6.659 12.836 1.00 2.43 C ATOM 1038 C GLY A 68 64.632 7.752 12.321 1.00 2.01 C ATOM 1039 O GLY A 68 63.741 8.197 13.016 1.00 2.65 O ATOM 0 H GLY A 68 67.425 6.119 11.928 1.00 1.77 H new ATOM 0 HA2 GLY A 68 65.231 5.682 12.491 1.00 2.43 H new ATOM 0 HA3 GLY A 68 65.554 6.636 13.926 1.00 2.43 H new ATOM 1043 N SER A 69 64.824 8.188 11.106 1.00 1.59 N ATOM 1044 CA SER A 69 63.941 9.252 10.547 1.00 1.99 C ATOM 1045 C SER A 69 62.639 8.640 10.025 1.00 1.42 C ATOM 1046 O SER A 69 61.580 9.228 10.127 1.00 1.97 O ATOM 1047 CB SER A 69 64.741 9.872 9.403 1.00 2.89 C ATOM 1048 OG SER A 69 64.686 9.012 8.272 1.00 3.53 O ATOM 0 H SER A 69 65.554 7.854 10.476 1.00 1.59 H new ATOM 0 HA SER A 69 63.663 9.993 11.296 1.00 1.99 H new ATOM 0 HB2 SER A 69 64.336 10.852 9.150 1.00 2.89 H new ATOM 0 HB3 SER A 69 65.776 10.025 9.708 1.00 2.89 H new ATOM 1054 N GLY A 70 62.706 7.463 9.466 1.00 1.23 N ATOM 1055 CA GLY A 70 61.469 6.818 8.939 1.00 1.51 C ATOM 1056 C GLY A 70 61.529 6.773 7.411 1.00 1.28 C ATOM 1057 O GLY A 70 60.736 6.113 6.768 1.00 1.42 O ATOM 0 H GLY A 70 63.562 6.920 9.351 1.00 1.23 H new ATOM 0 HA2 GLY A 70 61.373 5.809 9.340 1.00 1.51 H new ATOM 0 HA3 GLY A 70 60.590 7.374 9.263 1.00 1.51 H new ATOM 1061 N THR A 71 62.464 7.469 6.825 1.00 1.12 N ATOM 1062 CA THR A 71 62.576 7.466 5.338 1.00 0.98 C ATOM 1063 C THR A 71 63.956 6.959 4.914 1.00 0.88 C ATOM 1064 O THR A 71 64.956 7.263 5.533 1.00 0.92 O ATOM 1065 CB THR A 71 62.392 8.925 4.922 1.00 1.11 C ATOM 1066 OG1 THR A 71 63.141 9.762 5.794 1.00 1.83 O ATOM 1067 CG2 THR A 71 60.911 9.300 4.999 1.00 1.34 C ATOM 0 H THR A 71 63.156 8.040 7.311 1.00 1.12 H new ATOM 0 HA THR A 71 61.839 6.813 4.871 1.00 0.98 H new ATOM 0 HB THR A 71 62.743 9.057 3.899 1.00 1.11 H new ATOM 0 HG1 THR A 71 63.026 10.698 5.528 1.00 1.83 H new ATOM 0 HG21 THR A 71 60.783 10.341 4.702 1.00 1.34 H new ATOM 0 HG22 THR A 71 60.338 8.659 4.329 1.00 1.34 H new ATOM 0 HG23 THR A 71 60.555 9.168 6.021 1.00 1.34 H new ATOM 1075 N VAL A 72 64.020 6.192 3.861 1.00 0.83 N ATOM 1076 CA VAL A 72 65.338 5.670 3.396 1.00 0.76 C ATOM 1077 C VAL A 72 65.858 6.530 2.240 1.00 0.68 C ATOM 1078 O VAL A 72 65.281 6.561 1.171 1.00 0.72 O ATOM 1079 CB VAL A 72 65.062 4.240 2.920 1.00 0.79 C ATOM 1080 CG1 VAL A 72 66.377 3.461 2.856 1.00 0.87 C ATOM 1081 CG2 VAL A 72 64.111 3.545 3.898 1.00 1.02 C ATOM 0 H VAL A 72 63.217 5.904 3.302 1.00 0.83 H new ATOM 0 HA VAL A 72 66.093 5.693 4.182 1.00 0.76 H new ATOM 0 HB VAL A 72 64.606 4.273 1.931 1.00 0.79 H new ATOM 0 HG11 VAL A 72 66.181 2.444 2.517 1.00 0.87 H new ATOM 0 HG12 VAL A 72 67.057 3.951 2.159 1.00 0.87 H new ATOM 0 HG13 VAL A 72 66.832 3.433 3.846 1.00 0.87 H new ATOM 0 HG21 VAL A 72 63.917 2.528 3.556 1.00 1.02 H new ATOM 0 HG22 VAL A 72 64.566 3.514 4.888 1.00 1.02 H new ATOM 0 HG23 VAL A 72 63.172 4.097 3.947 1.00 1.02 H new ATOM 1091 N ASP A 73 66.939 7.231 2.446 1.00 0.72 N ATOM 1092 CA ASP A 73 67.484 8.092 1.355 1.00 0.76 C ATOM 1093 C ASP A 73 68.606 7.358 0.606 1.00 0.83 C ATOM 1094 O ASP A 73 68.350 6.496 -0.211 1.00 1.49 O ATOM 1095 CB ASP A 73 68.015 9.340 2.064 1.00 0.98 C ATOM 1096 CG ASP A 73 68.550 10.328 1.025 1.00 1.30 C ATOM 1097 OD1 ASP A 73 69.124 9.876 0.047 1.00 1.99 O ATOM 1098 OD2 ASP A 73 68.375 11.519 1.224 1.00 1.89 O ATOM 0 H ASP A 73 67.468 7.246 3.318 1.00 0.72 H new ATOM 0 HA ASP A 73 66.731 8.345 0.608 1.00 0.76 H new ATOM 0 HB2 ASP A 73 67.221 9.805 2.648 1.00 0.98 H new ATOM 0 HB3 ASP A 73 68.806 9.066 2.762 1.00 0.98 H new ATOM 1103 N PHE A 74 69.844 7.687 0.869 1.00 0.67 N ATOM 1104 CA PHE A 74 70.960 6.999 0.160 1.00 0.64 C ATOM 1105 C PHE A 74 71.871 6.288 1.163 1.00 0.73 C ATOM 1106 O PHE A 74 72.138 5.109 1.045 1.00 0.87 O ATOM 1107 CB PHE A 74 71.720 8.114 -0.560 1.00 0.79 C ATOM 1108 CG PHE A 74 72.534 7.519 -1.684 1.00 0.86 C ATOM 1109 CD1 PHE A 74 71.926 6.670 -2.615 1.00 1.68 C ATOM 1110 CD2 PHE A 74 73.898 7.816 -1.792 1.00 1.33 C ATOM 1111 CE1 PHE A 74 72.681 6.117 -3.656 1.00 1.78 C ATOM 1112 CE2 PHE A 74 74.654 7.264 -2.834 1.00 1.45 C ATOM 1113 CZ PHE A 74 74.045 6.414 -3.765 1.00 1.20 C ATOM 0 H PHE A 74 70.128 8.399 1.541 1.00 0.67 H new ATOM 0 HA PHE A 74 70.600 6.238 -0.532 1.00 0.64 H new ATOM 0 HB2 PHE A 74 71.020 8.851 -0.953 1.00 0.79 H new ATOM 0 HB3 PHE A 74 72.373 8.636 0.140 1.00 0.79 H new ATOM 0 HD1 PHE A 74 70.874 6.441 -2.531 1.00 1.68 H new ATOM 0 HD2 PHE A 74 74.367 8.470 -1.072 1.00 1.33 H new ATOM 0 HE1 PHE A 74 72.212 5.462 -4.375 1.00 1.78 H new ATOM 0 HE2 PHE A 74 75.706 7.494 -2.919 1.00 1.45 H new ATOM 0 HZ PHE A 74 74.628 5.987 -4.568 1.00 1.20 H new ATOM 1123 N ASP A 75 72.352 6.994 2.149 1.00 0.94 N ATOM 1124 CA ASP A 75 73.248 6.354 3.155 1.00 1.11 C ATOM 1125 C ASP A 75 72.592 5.091 3.721 1.00 0.90 C ATOM 1126 O ASP A 75 73.211 4.051 3.824 1.00 0.94 O ATOM 1127 CB ASP A 75 73.427 7.404 4.252 1.00 1.45 C ATOM 1128 CG ASP A 75 74.910 7.513 4.616 1.00 2.16 C ATOM 1129 OD1 ASP A 75 75.366 6.703 5.406 1.00 2.66 O ATOM 1130 OD2 ASP A 75 75.562 8.405 4.099 1.00 2.78 O ATOM 0 H ASP A 75 72.164 7.985 2.302 1.00 0.94 H new ATOM 0 HA ASP A 75 74.202 6.050 2.724 1.00 1.11 H new ATOM 0 HB2 ASP A 75 73.053 8.369 3.911 1.00 1.45 H new ATOM 0 HB3 ASP A 75 72.845 7.130 5.132 1.00 1.45 H new ATOM 1135 N GLU A 76 71.343 5.175 4.093 1.00 0.81 N ATOM 1136 CA GLU A 76 70.649 3.981 4.654 1.00 0.76 C ATOM 1137 C GLU A 76 70.130 3.084 3.526 1.00 0.62 C ATOM 1138 O GLU A 76 70.275 1.878 3.563 1.00 0.61 O ATOM 1139 CB GLU A 76 69.484 4.547 5.467 1.00 0.93 C ATOM 1140 CG GLU A 76 70.009 5.583 6.462 1.00 1.09 C ATOM 1141 CD GLU A 76 68.937 6.646 6.704 1.00 1.59 C ATOM 1142 OE1 GLU A 76 67.779 6.363 6.446 1.00 1.93 O ATOM 1143 OE2 GLU A 76 69.292 7.727 7.145 1.00 2.25 O ATOM 0 H GLU A 76 70.774 6.019 4.032 1.00 0.81 H new ATOM 0 HA GLU A 76 71.314 3.368 5.262 1.00 0.76 H new ATOM 0 HB2 GLU A 76 68.752 5.005 4.802 1.00 0.93 H new ATOM 0 HB3 GLU A 76 68.974 3.744 5.998 1.00 0.93 H new ATOM 0 HG2 GLU A 76 70.275 5.099 7.402 1.00 1.09 H new ATOM 0 HG3 GLU A 76 70.916 6.047 6.075 1.00 1.09 H new ATOM 1150 N PHE A 77 69.522 3.662 2.526 1.00 0.59 N ATOM 1151 CA PHE A 77 68.989 2.842 1.399 1.00 0.57 C ATOM 1152 C PHE A 77 70.028 1.811 0.947 1.00 0.59 C ATOM 1153 O PHE A 77 69.694 0.719 0.534 1.00 0.71 O ATOM 1154 CB PHE A 77 68.706 3.842 0.278 1.00 0.62 C ATOM 1155 CG PHE A 77 68.159 3.106 -0.923 1.00 0.72 C ATOM 1156 CD1 PHE A 77 66.931 2.440 -0.834 1.00 1.51 C ATOM 1157 CD2 PHE A 77 68.880 3.089 -2.122 1.00 1.42 C ATOM 1158 CE1 PHE A 77 66.424 1.756 -1.945 1.00 1.76 C ATOM 1159 CE2 PHE A 77 68.373 2.405 -3.233 1.00 1.60 C ATOM 1160 CZ PHE A 77 67.146 1.738 -3.145 1.00 1.37 C ATOM 0 H PHE A 77 69.371 4.667 2.440 1.00 0.59 H new ATOM 0 HA PHE A 77 68.097 2.285 1.686 1.00 0.57 H new ATOM 0 HB2 PHE A 77 67.991 4.592 0.616 1.00 0.62 H new ATOM 0 HB3 PHE A 77 69.620 4.372 0.009 1.00 0.62 H new ATOM 0 HD1 PHE A 77 66.375 2.454 0.092 1.00 1.51 H new ATOM 0 HD2 PHE A 77 69.827 3.603 -2.190 1.00 1.42 H new ATOM 0 HE1 PHE A 77 65.476 1.242 -1.877 1.00 1.76 H new ATOM 0 HE2 PHE A 77 68.929 2.392 -4.159 1.00 1.60 H new ATOM 0 HZ PHE A 77 66.756 1.209 -4.002 1.00 1.37 H new ATOM 1170 N LEU A 78 71.287 2.149 1.019 1.00 0.57 N ATOM 1171 CA LEU A 78 72.342 1.184 0.589 1.00 0.62 C ATOM 1172 C LEU A 78 72.482 0.058 1.617 1.00 0.61 C ATOM 1173 O LEU A 78 72.617 -1.098 1.271 1.00 0.68 O ATOM 1174 CB LEU A 78 73.629 2.008 0.517 1.00 0.66 C ATOM 1175 CG LEU A 78 73.991 2.262 -0.948 1.00 0.73 C ATOM 1176 CD1 LEU A 78 75.336 2.986 -1.023 1.00 1.10 C ATOM 1177 CD2 LEU A 78 74.089 0.926 -1.687 1.00 1.34 C ATOM 0 H LEU A 78 71.631 3.048 1.356 1.00 0.57 H new ATOM 0 HA LEU A 78 72.105 0.714 -0.365 1.00 0.62 H new ATOM 0 HB2 LEU A 78 73.497 2.955 1.039 1.00 0.66 H new ATOM 0 HB3 LEU A 78 74.441 1.479 1.017 1.00 0.66 H new ATOM 0 HG LEU A 78 73.221 2.878 -1.411 1.00 0.73 H new ATOM 0 HD11 LEU A 78 75.594 3.167 -2.066 1.00 1.10 H new ATOM 0 HD12 LEU A 78 75.267 3.938 -0.496 1.00 1.10 H new ATOM 0 HD13 LEU A 78 76.107 2.370 -0.560 1.00 1.10 H new ATOM 0 HD21 LEU A 78 74.347 1.106 -2.731 1.00 1.34 H new ATOM 0 HD22 LEU A 78 74.859 0.310 -1.224 1.00 1.34 H new ATOM 0 HD23 LEU A 78 73.131 0.410 -1.634 1.00 1.34 H new ATOM 1189 N VAL A 79 72.454 0.388 2.879 1.00 0.64 N ATOM 1190 CA VAL A 79 72.588 -0.664 3.927 1.00 0.68 C ATOM 1191 C VAL A 79 71.454 -1.687 3.803 1.00 0.78 C ATOM 1192 O VAL A 79 71.583 -2.822 4.215 1.00 0.92 O ATOM 1193 CB VAL A 79 72.486 0.087 5.254 1.00 0.73 C ATOM 1194 CG1 VAL A 79 72.660 -0.897 6.411 1.00 1.15 C ATOM 1195 CG2 VAL A 79 73.585 1.151 5.321 1.00 0.91 C ATOM 0 H VAL A 79 72.344 1.339 3.230 1.00 0.64 H new ATOM 0 HA VAL A 79 73.524 -1.216 3.839 1.00 0.68 H new ATOM 0 HB VAL A 79 71.509 0.566 5.328 1.00 0.73 H new ATOM 0 HG11 VAL A 79 72.587 -0.362 7.358 1.00 1.15 H new ATOM 0 HG12 VAL A 79 71.880 -1.657 6.363 1.00 1.15 H new ATOM 0 HG13 VAL A 79 73.637 -1.375 6.338 1.00 1.15 H new ATOM 0 HG21 VAL A 79 73.514 1.688 6.267 1.00 0.91 H new ATOM 0 HG22 VAL A 79 74.561 0.671 5.248 1.00 0.91 H new ATOM 0 HG23 VAL A 79 73.463 1.852 4.496 1.00 0.91 H new ATOM 1205 N MET A 80 70.346 -1.295 3.236 1.00 0.82 N ATOM 1206 CA MET A 80 69.210 -2.248 3.088 1.00 0.93 C ATOM 1207 C MET A 80 69.515 -3.267 1.987 1.00 0.92 C ATOM 1208 O MET A 80 69.305 -4.452 2.149 1.00 0.99 O ATOM 1209 CB MET A 80 68.012 -1.380 2.701 1.00 1.04 C ATOM 1210 CG MET A 80 66.894 -1.566 3.729 1.00 1.05 C ATOM 1211 SD MET A 80 65.862 -2.976 3.256 1.00 1.64 S ATOM 1212 CE MET A 80 65.424 -2.389 1.602 1.00 1.27 C ATOM 0 H MET A 80 70.178 -0.358 2.870 1.00 0.82 H new ATOM 0 HA MET A 80 69.024 -2.814 4.001 1.00 0.93 H new ATOM 0 HB2 MET A 80 68.308 -0.332 2.656 1.00 1.04 H new ATOM 0 HB3 MET A 80 67.657 -1.654 1.708 1.00 1.04 H new ATOM 0 HG2 MET A 80 67.320 -1.730 4.719 1.00 1.05 H new ATOM 0 HG3 MET A 80 66.287 -0.662 3.789 1.00 1.05 H new ATOM 0 HE1 MET A 80 64.393 -2.663 1.380 1.00 1.27 H new ATOM 0 HE2 MET A 80 65.528 -1.305 1.561 1.00 1.27 H new ATOM 0 HE3 MET A 80 66.087 -2.845 0.867 1.00 1.27 H new ATOM 1222 N MET A 81 70.009 -2.816 0.867 1.00 0.86 N ATOM 1223 CA MET A 81 70.327 -3.761 -0.240 1.00 0.88 C ATOM 1224 C MET A 81 71.440 -4.723 0.187 1.00 0.90 C ATOM 1225 O MET A 81 71.299 -5.927 0.110 1.00 1.04 O ATOM 1226 CB MET A 81 70.793 -2.876 -1.396 1.00 0.86 C ATOM 1227 CG MET A 81 69.627 -2.635 -2.355 1.00 0.97 C ATOM 1228 SD MET A 81 70.260 -2.011 -3.932 1.00 1.31 S ATOM 1229 CE MET A 81 69.321 -0.465 -3.951 1.00 0.93 C ATOM 0 H MET A 81 70.206 -1.835 0.671 1.00 0.86 H new ATOM 0 HA MET A 81 69.470 -4.374 -0.518 1.00 0.88 H new ATOM 0 HB2 MET A 81 71.166 -1.926 -1.013 1.00 0.86 H new ATOM 0 HB3 MET A 81 71.619 -3.353 -1.923 1.00 0.86 H new ATOM 0 HG2 MET A 81 69.075 -3.562 -2.514 1.00 0.97 H new ATOM 0 HG3 MET A 81 68.929 -1.919 -1.922 1.00 0.97 H new ATOM 0 HE1 MET A 81 68.848 -0.338 -4.925 1.00 0.93 H new ATOM 0 HE2 MET A 81 68.554 -0.495 -3.177 1.00 0.93 H new ATOM 0 HE3 MET A 81 69.994 0.372 -3.763 1.00 0.93 H new ATOM 1239 N VAL A 82 72.547 -4.199 0.639 1.00 0.81 N ATOM 1240 CA VAL A 82 73.671 -5.079 1.072 1.00 0.87 C ATOM 1241 C VAL A 82 73.167 -6.155 2.039 1.00 0.93 C ATOM 1242 O VAL A 82 73.632 -7.278 2.028 1.00 1.06 O ATOM 1243 CB VAL A 82 74.659 -4.144 1.773 1.00 0.86 C ATOM 1244 CG1 VAL A 82 73.940 -3.361 2.873 1.00 1.12 C ATOM 1245 CG2 VAL A 82 75.785 -4.968 2.400 1.00 1.38 C ATOM 0 H VAL A 82 72.722 -3.198 0.727 1.00 0.81 H new ATOM 0 HA VAL A 82 74.130 -5.602 0.233 1.00 0.87 H new ATOM 0 HB VAL A 82 75.073 -3.449 1.042 1.00 0.86 H new ATOM 0 HG11 VAL A 82 74.648 -2.697 3.369 1.00 1.12 H new ATOM 0 HG12 VAL A 82 73.136 -2.771 2.433 1.00 1.12 H new ATOM 0 HG13 VAL A 82 73.523 -4.056 3.602 1.00 1.12 H new ATOM 0 HG21 VAL A 82 76.489 -4.302 2.899 1.00 1.38 H new ATOM 0 HG22 VAL A 82 75.366 -5.664 3.127 1.00 1.38 H new ATOM 0 HG23 VAL A 82 76.304 -5.527 1.621 1.00 1.38 H new ATOM 1255 N ARG A 83 72.222 -5.824 2.876 1.00 0.92 N ATOM 1256 CA ARG A 83 71.695 -6.833 3.840 1.00 1.06 C ATOM 1257 C ARG A 83 71.065 -8.007 3.088 1.00 1.17 C ATOM 1258 O ARG A 83 71.472 -9.143 3.236 1.00 1.35 O ATOM 1259 CB ARG A 83 70.637 -6.089 4.654 1.00 1.12 C ATOM 1260 CG ARG A 83 71.239 -5.648 5.990 1.00 1.21 C ATOM 1261 CD ARG A 83 70.117 -5.222 6.939 1.00 1.42 C ATOM 1262 NE ARG A 83 69.820 -6.436 7.748 1.00 1.54 N ATOM 1263 CZ ARG A 83 69.029 -6.353 8.782 1.00 1.90 C ATOM 1264 NH1 ARG A 83 69.177 -5.383 9.641 1.00 2.73 N ATOM 1265 NH2 ARG A 83 68.091 -7.243 8.959 1.00 1.93 N ATOM 0 H ARG A 83 71.792 -4.901 2.935 1.00 0.92 H new ATOM 0 HA ARG A 83 72.480 -7.247 4.473 1.00 1.06 H new ATOM 0 HB2 ARG A 83 70.280 -5.221 4.100 1.00 1.12 H new ATOM 0 HB3 ARG A 83 69.775 -6.734 4.826 1.00 1.12 H new ATOM 0 HG2 ARG A 83 71.812 -6.464 6.430 1.00 1.21 H new ATOM 0 HG3 ARG A 83 71.931 -4.821 5.834 1.00 1.21 H new ATOM 0 HD2 ARG A 83 70.429 -4.391 7.572 1.00 1.42 H new ATOM 0 HD3 ARG A 83 69.238 -4.890 6.387 1.00 1.42 H new ATOM 0 HE ARG A 83 70.235 -7.332 7.494 1.00 1.54 H new ATOM 0 HH11 ARG A 83 69.912 -4.689 9.505 1.00 2.73 H new ATOM 0 HH12 ARG A 83 68.558 -5.319 10.449 1.00 2.73 H new ATOM 0 HH21 ARG A 83 67.976 -8.003 8.289 1.00 1.93 H new ATOM 0 HH22 ARG A 83 67.472 -7.178 9.767 1.00 1.93 H new ATOM 1279 N CYS A 84 70.072 -7.743 2.282 1.00 1.21 N ATOM 1280 CA CYS A 84 69.413 -8.843 1.520 1.00 1.46 C ATOM 1281 C CYS A 84 70.462 -9.817 0.977 1.00 1.52 C ATOM 1282 O CYS A 84 70.365 -11.014 1.164 1.00 1.97 O ATOM 1283 CB CYS A 84 68.684 -8.147 0.370 1.00 1.72 C ATOM 1284 SG CYS A 84 67.558 -9.319 -0.426 1.00 2.58 S ATOM 0 H CYS A 84 69.688 -6.812 2.118 1.00 1.21 H new ATOM 0 HA CYS A 84 68.733 -9.425 2.143 1.00 1.46 H new ATOM 0 HB2 CYS A 84 68.127 -7.288 0.745 1.00 1.72 H new ATOM 0 HB3 CYS A 84 69.404 -7.768 -0.355 1.00 1.72 H new ATOM 0 HG CYS A 84 68.001 -10.529 -0.258 1.00 2.58 H new ATOM 1290 N MET A 85 71.464 -9.316 0.310 1.00 1.31 N ATOM 1291 CA MET A 85 72.517 -10.217 -0.241 1.00 1.51 C ATOM 1292 C MET A 85 73.409 -10.738 0.889 1.00 1.66 C ATOM 1293 O MET A 85 72.941 -11.066 1.961 1.00 2.46 O ATOM 1294 CB MET A 85 73.321 -9.343 -1.205 1.00 1.47 C ATOM 1295 CG MET A 85 73.975 -8.198 -0.430 1.00 1.57 C ATOM 1296 SD MET A 85 75.230 -7.406 -1.467 1.00 1.89 S ATOM 1297 CE MET A 85 74.151 -6.159 -2.213 1.00 1.57 C ATOM 0 H MET A 85 71.600 -8.323 0.122 1.00 1.31 H new ATOM 0 HA MET A 85 72.097 -11.090 -0.740 1.00 1.51 H new ATOM 0 HB2 MET A 85 74.084 -9.940 -1.705 1.00 1.47 H new ATOM 0 HB3 MET A 85 72.669 -8.945 -1.982 1.00 1.47 H new ATOM 0 HG2 MET A 85 73.221 -7.469 -0.132 1.00 1.57 H new ATOM 0 HG3 MET A 85 74.430 -8.577 0.485 1.00 1.57 H new ATOM 0 HE1 MET A 85 74.235 -6.208 -3.299 1.00 1.57 H new ATOM 0 HE2 MET A 85 73.118 -6.349 -1.920 1.00 1.57 H new ATOM 0 HE3 MET A 85 74.449 -5.168 -1.870 1.00 1.57 H new ATOM 1307 N LYS A 86 74.692 -10.818 0.661 1.00 1.46 N ATOM 1308 CA LYS A 86 75.607 -11.318 1.728 1.00 1.86 C ATOM 1309 C LYS A 86 76.537 -10.195 2.195 1.00 2.10 C ATOM 1310 O LYS A 86 76.844 -9.282 1.456 1.00 2.77 O ATOM 1311 CB LYS A 86 76.405 -12.445 1.070 1.00 2.69 C ATOM 1312 CG LYS A 86 75.477 -13.625 0.781 1.00 3.47 C ATOM 1313 CD LYS A 86 76.309 -14.886 0.541 1.00 4.38 C ATOM 1314 CE LYS A 86 75.465 -16.122 0.861 1.00 5.10 C ATOM 1315 NZ LYS A 86 76.369 -17.280 0.619 1.00 5.92 N ATOM 0 H LYS A 86 75.146 -10.560 -0.215 1.00 1.46 H new ATOM 0 HA LYS A 86 75.067 -11.666 2.608 1.00 1.86 H new ATOM 0 HB2 LYS A 86 76.860 -12.091 0.145 1.00 2.69 H new ATOM 0 HB3 LYS A 86 77.218 -12.760 1.724 1.00 2.69 H new ATOM 0 HG2 LYS A 86 74.797 -13.780 1.619 1.00 3.47 H new ATOM 0 HG3 LYS A 86 74.862 -13.411 -0.093 1.00 3.47 H new ATOM 0 HD2 LYS A 86 76.646 -14.921 -0.495 1.00 4.38 H new ATOM 0 HD3 LYS A 86 77.202 -14.870 1.166 1.00 4.38 H new ATOM 0 HE2 LYS A 86 75.114 -16.104 1.893 1.00 5.10 H new ATOM 0 HE3 LYS A 86 74.581 -16.172 0.225 1.00 5.10 H new ATOM 0 HZ1 LYS A 86 75.860 -18.165 0.818 1.00 5.92 H new ATOM 0 HZ2 LYS A 86 76.681 -17.275 -0.373 1.00 5.92 H new ATOM 0 HZ3 LYS A 86 77.198 -17.210 1.243 1.00 5.92 H new ATOM 1329 N ASP A 87 76.984 -10.254 3.420 1.00 2.49 N ATOM 1330 CA ASP A 87 77.891 -9.189 3.938 1.00 3.49 C ATOM 1331 C ASP A 87 79.068 -8.976 2.981 1.00 4.14 C ATOM 1332 O ASP A 87 79.227 -7.918 2.404 1.00 4.30 O ATOM 1333 CB ASP A 87 78.386 -9.713 5.287 1.00 4.13 C ATOM 1334 CG ASP A 87 77.852 -8.819 6.408 1.00 5.17 C ATOM 1335 OD1 ASP A 87 76.645 -8.666 6.495 1.00 5.51 O ATOM 1336 OD2 ASP A 87 78.661 -8.304 7.163 1.00 5.90 O ATOM 0 H ASP A 87 76.760 -10.994 4.085 1.00 2.49 H new ATOM 0 HA ASP A 87 77.384 -8.229 4.032 1.00 3.49 H new ATOM 0 HB2 ASP A 87 78.051 -10.740 5.435 1.00 4.13 H new ATOM 0 HB3 ASP A 87 79.476 -9.727 5.306 1.00 4.13 H new ATOM 1341 N ASP A 88 79.893 -9.972 2.809 1.00 4.97 N ATOM 1342 CA ASP A 88 81.060 -9.822 1.892 1.00 5.97 C ATOM 1343 C ASP A 88 81.290 -11.121 1.114 1.00 6.80 C ATOM 1344 O ASP A 88 82.194 -11.879 1.407 1.00 7.43 O ATOM 1345 CB ASP A 88 82.249 -9.523 2.806 1.00 6.65 C ATOM 1346 CG ASP A 88 83.548 -9.607 2.000 1.00 6.90 C ATOM 1347 OD1 ASP A 88 83.782 -8.718 1.198 1.00 7.19 O ATOM 1348 OD2 ASP A 88 84.285 -10.557 2.200 1.00 7.08 O ATOM 0 H ASP A 88 79.811 -10.882 3.262 1.00 4.97 H new ATOM 0 HA ASP A 88 80.908 -9.034 1.155 1.00 5.97 H new ATOM 0 HB2 ASP A 88 82.144 -8.530 3.244 1.00 6.65 H new ATOM 0 HB3 ASP A 88 82.274 -10.234 3.632 1.00 6.65 H new ATOM 1353 N SER A 89 80.479 -11.382 0.126 1.00 7.04 N ATOM 1354 CA SER A 89 80.650 -12.631 -0.669 1.00 8.10 C ATOM 1355 C SER A 89 81.290 -12.314 -2.024 1.00 8.42 C ATOM 1356 O SER A 89 82.508 -12.292 -2.091 1.00 8.45 O ATOM 1357 CB SER A 89 79.234 -13.174 -0.859 1.00 8.54 C ATOM 1358 OG SER A 89 79.298 -14.447 -1.490 1.00 8.99 O ATOM 1359 OXT SER A 89 80.550 -12.099 -2.970 1.00 8.86 O ATOM 0 H SER A 89 79.705 -10.785 -0.165 1.00 7.04 H new ATOM 0 HA SER A 89 81.301 -13.351 -0.173 1.00 8.10 H new ATOM 0 HB2 SER A 89 78.732 -13.258 0.105 1.00 8.54 H new ATOM 0 HB3 SER A 89 78.646 -12.484 -1.465 1.00 8.54 H new ATOM 0 HG SER A 89 78.397 -14.726 -1.756 1.00 8.99 H new TER 1365 SER A 89 HETATM 1366 CA CA A 90 66.623 7.419 7.737 1.00 0.00 CA