USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 120:sc= 1.04 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.896 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0135 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.0159 X(o=0.029,f=0.00086) USER MOD Set 3.1: A 7 THR OG1 : rot 120:sc= 0.293 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.119 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 165:sc= 1.16 (180deg=-0.0494) USER MOD Set 4.2: A 12 THR OG1 : rot 146:sc= 0.986 USER MOD Single : A 1 MET CE :methyl 151:sc= 0 (180deg=-0.0238) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.33 (180deg=1.14) USER MOD Single : A 2 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.79) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 1.32 (180deg=0.962) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0.559 (180deg=0.554) USER MOD Single : A 31 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.22) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 41 GLN : amide:sc= 0.349 K(o=0.35,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 50:sc= 0.272 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -137:sc= -0.223 (180deg=-1.07) USER MOD Single : A 65 SER OG : rot 69:sc= 0.517 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.533 -7.468 -4.798 1.00 9.67 N ATOM 2 CA MET A 1 11.365 -7.806 -3.383 1.00 10.38 C ATOM 3 C MET A 1 9.884 -8.132 -3.062 1.00 9.62 C ATOM 4 O MET A 1 8.984 -7.639 -3.750 1.00 9.62 O ATOM 5 CB MET A 1 11.987 -6.756 -2.488 1.00 13.77 C ATOM 6 CG MET A 1 11.117 -5.477 -2.411 1.00 16.29 C ATOM 7 SD MET A 1 12.053 -4.173 -1.497 1.00 17.17 S ATOM 8 CE MET A 1 10.728 -2.989 -0.945 1.00 16.11 C ATOM 0 H1 MET A 1 12.451 -6.999 -4.936 1.00 9.67 H new ATOM 0 H2 MET A 1 11.499 -8.337 -5.369 1.00 9.67 H new ATOM 0 H3 MET A 1 10.769 -6.828 -5.095 1.00 9.67 H new ATOM 0 HA MET A 1 11.916 -8.722 -3.168 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.121 -7.165 -1.487 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.978 -6.500 -2.863 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.868 -5.130 -3.414 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.176 -5.691 -1.904 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.038 -2.501 -0.021 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.568 -2.236 -1.717 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.801 -3.535 -0.773 1.00 16.11 H new ATOM 20 N GLN A 2 9.567 -8.976 -2.014 1.00 9.27 N ATOM 21 CA GLN A 2 8.175 -9.009 -1.538 1.00 9.07 C ATOM 22 C GLN A 2 7.842 -8.094 -0.417 1.00 8.72 C ATOM 23 O GLN A 2 8.522 -7.984 0.586 1.00 8.22 O ATOM 24 CB GLN A 2 7.808 -10.454 -1.070 1.00 14.46 C ATOM 25 CG GLN A 2 8.095 -11.580 -2.163 1.00 17.01 C ATOM 26 CD GLN A 2 7.173 -11.422 -3.383 1.00 20.10 C ATOM 27 OE1 GLN A 2 5.977 -11.752 -3.420 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.778 -10.945 -4.469 1.00 19.49 N ATOM 0 H GLN A 2 10.220 -9.591 -1.528 1.00 9.27 H new ATOM 0 HA GLN A 2 7.601 -8.671 -2.401 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.371 -10.687 -0.166 1.00 14.46 H new ATOM 0 HB3 GLN A 2 6.752 -10.482 -0.803 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.136 -11.524 -2.481 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.950 -12.565 -1.720 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.761 -10.676 -4.429 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.258 -10.848 -5.341 1.00 19.49 H new ATOM 37 N ILE A 3 6.718 -7.386 -0.418 1.00 5.87 N ATOM 38 CA ILE A 3 6.182 -6.605 0.742 1.00 5.07 C ATOM 39 C ILE A 3 4.910 -7.353 1.232 1.00 4.01 C ATOM 40 O ILE A 3 4.267 -8.148 0.540 1.00 4.61 O ATOM 41 CB ILE A 3 5.958 -5.123 0.604 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.921 -4.815 -0.482 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.337 -4.476 0.373 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.564 -3.343 -0.591 1.00 10.83 C ATOM 0 H ILE A 3 6.120 -7.324 -1.242 1.00 5.87 H new ATOM 0 HA ILE A 3 6.990 -6.581 1.473 1.00 5.07 H new ATOM 0 HB ILE A 3 5.525 -4.694 1.508 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.303 -5.158 -1.443 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.015 -5.385 -0.277 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.220 -3.397 0.267 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.986 -4.689 1.223 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.783 -4.883 -0.535 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.825 -3.205 -1.381 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.151 -2.998 0.357 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.459 -2.768 -0.828 1.00 10.83 H new ATOM 56 N PHE A 4 4.544 -7.138 2.501 1.00 4.55 N ATOM 57 CA PHE A 4 3.313 -7.661 2.997 1.00 4.68 C ATOM 58 C PHE A 4 2.411 -6.448 3.154 1.00 5.30 C ATOM 59 O PHE A 4 2.885 -5.400 3.589 1.00 5.58 O ATOM 60 CB PHE A 4 3.336 -8.330 4.413 1.00 4.83 C ATOM 61 CG PHE A 4 4.470 -9.332 4.485 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.580 -10.501 3.655 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.446 -9.113 5.412 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.544 -11.424 3.928 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.472 -10.077 5.664 1.00 10.61 C ATOM 66 CZ PHE A 4 6.513 -11.271 4.953 1.00 8.90 C ATOM 0 H PHE A 4 5.091 -6.608 3.179 1.00 4.55 H new ATOM 0 HA PHE A 4 3.012 -8.442 2.299 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.461 -7.569 5.183 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.386 -8.827 4.607 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.906 -10.646 2.824 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.444 -8.188 5.970 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.572 -12.323 3.330 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.222 -9.875 6.414 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.241 -12.039 5.169 1.00 8.90 H new ATOM 76 N VAL A 5 1.111 -6.594 2.782 1.00 4.44 N ATOM 77 CA VAL A 5 0.071 -5.644 3.076 1.00 3.87 C ATOM 78 C VAL A 5 -0.933 -6.374 3.930 1.00 4.93 C ATOM 79 O VAL A 5 -1.432 -7.449 3.649 1.00 6.84 O ATOM 80 CB VAL A 5 -0.583 -5.134 1.769 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.845 -4.363 2.115 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.536 -4.259 1.058 1.00 9.13 C ATOM 0 H VAL A 5 0.778 -7.403 2.258 1.00 4.44 H new ATOM 0 HA VAL A 5 0.464 -4.769 3.593 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.904 -5.925 1.091 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.312 -4.000 1.200 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.539 -5.018 2.641 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.591 -3.516 2.753 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.146 -3.861 0.121 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.823 -3.434 1.711 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.408 -4.880 0.854 1.00 9.13 H new ATOM 92 N LYS A 6 -1.246 -5.787 5.105 1.00 6.04 N ATOM 93 CA LYS A 6 -2.108 -6.314 6.154 1.00 6.12 C ATOM 94 C LYS A 6 -3.252 -5.400 6.404 1.00 6.57 C ATOM 95 O LYS A 6 -3.126 -4.182 6.463 1.00 5.76 O ATOM 96 CB LYS A 6 -1.309 -6.401 7.544 1.00 7.45 C ATOM 97 CG LYS A 6 -1.021 -7.839 7.947 1.00 11.12 C ATOM 98 CD LYS A 6 -0.489 -7.935 9.405 1.00 14.54 C ATOM 99 CE LYS A 6 -0.458 -9.325 9.949 1.00 18.84 C ATOM 100 NZ LYS A 6 0.327 -10.217 9.115 1.00 20.55 N ATOM 0 H LYS A 6 -0.871 -4.871 5.350 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.447 -7.295 5.821 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.370 -5.854 7.457 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.890 -5.915 8.327 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.931 -8.432 7.852 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.288 -8.268 7.264 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.518 -7.519 9.442 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.113 -7.317 10.050 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.042 -9.311 10.957 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.476 -9.706 10.029 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.537 -11.089 9.641 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.210 -10.452 8.256 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.217 -9.750 8.849 1.00 20.55 H new ATOM 114 N THR A 7 -4.439 -5.986 6.601 1.00 7.41 N ATOM 115 CA THR A 7 -5.702 -5.234 6.685 1.00 7.48 C ATOM 116 C THR A 7 -6.142 -5.191 8.159 1.00 8.75 C ATOM 117 O THR A 7 -5.711 -5.988 9.015 1.00 8.58 O ATOM 118 CB THR A 7 -6.876 -5.784 5.820 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.404 -6.951 6.379 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.202 -6.121 4.479 1.00 9.17 C ATOM 0 H THR A 7 -4.554 -6.994 6.707 1.00 7.41 H new ATOM 0 HA THR A 7 -5.488 -4.246 6.276 1.00 7.48 H new ATOM 0 HB THR A 7 -7.699 -5.075 5.736 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.352 -6.814 6.588 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.945 -6.520 3.788 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.761 -5.218 4.056 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.421 -6.864 4.641 1.00 9.17 H new ATOM 128 N LEU A 8 -7.086 -4.244 8.461 1.00 9.84 N ATOM 129 CA LEU A 8 -7.674 -4.080 9.777 1.00 14.15 C ATOM 130 C LEU A 8 -8.384 -5.326 10.288 1.00 17.37 C ATOM 131 O LEU A 8 -8.350 -5.613 11.481 1.00 17.01 O ATOM 132 CB LEU A 8 -8.649 -2.826 9.675 1.00 16.63 C ATOM 133 CG LEU A 8 -9.148 -2.225 10.956 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.062 -1.595 11.798 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.100 -1.088 10.610 1.00 18.59 C ATOM 0 H LEU A 8 -7.444 -3.582 7.773 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.891 -3.913 10.516 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.133 -2.045 9.116 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.515 -3.122 9.083 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.604 -3.041 11.517 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.500 -1.182 12.707 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.322 -2.350 12.062 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.580 -0.797 11.233 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.476 -0.636 11.528 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.571 -0.336 10.025 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.936 -1.477 10.029 1.00 18.59 H new ATOM 147 N THR A 9 -8.964 -6.106 9.340 1.00 18.33 N ATOM 148 CA THR A 9 -9.757 -7.330 9.544 1.00 19.24 C ATOM 149 C THR A 9 -8.820 -8.564 9.488 1.00 19.48 C ATOM 150 O THR A 9 -9.319 -9.664 9.497 1.00 23.14 O ATOM 151 CB THR A 9 -10.875 -7.470 8.549 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.418 -7.271 7.257 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.818 -6.317 8.846 1.00 19.70 C ATOM 0 H THR A 9 -8.880 -5.875 8.350 1.00 18.33 H new ATOM 0 HA THR A 9 -10.225 -7.262 10.526 1.00 19.24 H new ATOM 0 HB THR A 9 -11.325 -8.460 8.624 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.163 -7.369 6.628 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.663 -6.351 8.158 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.181 -6.398 9.871 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.288 -5.373 8.723 1.00 19.70 H new ATOM 161 N GLY A 10 -7.497 -8.441 9.495 1.00 19.43 N ATOM 162 CA GLY A 10 -6.587 -9.562 9.725 1.00 18.74 C ATOM 163 C GLY A 10 -6.321 -10.446 8.493 1.00 17.62 C ATOM 164 O GLY A 10 -6.053 -11.647 8.600 1.00 19.74 O ATOM 0 H GLY A 10 -7.020 -7.553 9.340 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.636 -9.170 10.085 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.996 -10.186 10.520 1.00 18.74 H new ATOM 168 N LYS A 11 -6.488 -9.804 7.305 1.00 13.56 N ATOM 169 CA LYS A 11 -5.885 -10.428 6.134 1.00 11.91 C ATOM 170 C LYS A 11 -4.481 -10.018 5.856 1.00 10.18 C ATOM 171 O LYS A 11 -4.122 -8.889 6.109 1.00 9.10 O ATOM 172 CB LYS A 11 -6.772 -10.342 4.954 1.00 13.43 C ATOM 173 CG LYS A 11 -6.383 -11.131 3.696 1.00 16.69 C ATOM 174 CD LYS A 11 -7.316 -11.117 2.485 1.00 17.92 C ATOM 175 CE LYS A 11 -6.968 -12.143 1.409 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.016 -12.166 0.423 1.00 21.93 N ATOM 0 H LYS A 11 -6.992 -8.931 7.152 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.787 -11.484 6.385 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.765 -10.671 5.259 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.855 -9.291 4.676 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.412 -10.762 3.365 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.245 -12.171 3.991 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.336 -11.297 2.825 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.299 -10.122 2.040 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.017 -11.889 0.941 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.850 -13.130 1.855 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.785 -12.863 -0.313 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.914 -12.427 0.877 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.107 -11.224 -0.009 1.00 21.93 H new ATOM 190 N THR A 12 -3.657 -10.952 5.331 1.00 9.63 N ATOM 191 CA THR A 12 -2.241 -10.691 4.928 1.00 9.85 C ATOM 192 C THR A 12 -1.949 -11.056 3.512 1.00 11.66 C ATOM 193 O THR A 12 -1.929 -12.252 3.234 1.00 12.33 O ATOM 194 CB THR A 12 -1.257 -11.489 5.818 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.492 -11.101 7.170 1.00 10.91 O ATOM 196 CG2 THR A 12 0.199 -11.141 5.458 1.00 9.63 C ATOM 0 H THR A 12 -3.949 -11.916 5.171 1.00 9.63 H new ATOM 0 HA THR A 12 -2.108 -9.616 5.049 1.00 9.85 H new ATOM 0 HB THR A 12 -1.410 -12.558 5.671 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.347 -11.869 7.761 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.877 -11.711 6.093 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.385 -11.390 4.413 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.367 -10.075 5.612 1.00 9.63 H new ATOM 204 N ILE A 13 -1.650 -10.078 2.607 1.00 10.42 N ATOM 205 CA ILE A 13 -1.368 -10.384 1.200 1.00 11.84 C ATOM 206 C ILE A 13 0.059 -9.982 0.815 1.00 10.55 C ATOM 207 O ILE A 13 0.515 -8.909 1.178 1.00 11.92 O ATOM 208 CB ILE A 13 -2.453 -9.710 0.266 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.646 -8.202 0.480 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.817 -10.501 0.426 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.645 -7.616 -0.576 1.00 16.46 C ATOM 0 H ILE A 13 -1.602 -9.086 2.838 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.433 -11.463 1.059 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.083 -9.780 -0.757 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.023 -8.018 1.486 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.686 -7.693 0.401 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.577 -10.049 -0.212 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.671 -11.541 0.135 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.143 -10.458 1.465 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.768 -6.546 -0.406 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.253 -7.782 -1.579 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.611 -8.112 -0.478 1.00 16.46 H new ATOM 223 N THR A 14 0.733 -10.871 0.102 1.00 9.39 N ATOM 224 CA THR A 14 2.145 -10.684 -0.226 1.00 9.63 C ATOM 225 C THR A 14 2.254 -10.181 -1.654 1.00 11.20 C ATOM 226 O THR A 14 1.695 -10.775 -2.595 1.00 11.63 O ATOM 227 CB THR A 14 2.890 -11.957 -0.131 1.00 10.38 C ATOM 228 OG1 THR A 14 2.636 -12.543 1.123 1.00 16.30 O ATOM 229 CG2 THR A 14 4.431 -11.794 -0.176 1.00 11.66 C ATOM 0 H THR A 14 0.327 -11.733 -0.263 1.00 9.39 H new ATOM 0 HA THR A 14 2.568 -9.971 0.481 1.00 9.63 H new ATOM 0 HB THR A 14 2.558 -12.546 -0.986 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.125 -13.389 1.194 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.903 -12.774 -0.101 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.720 -11.323 -1.116 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.755 -11.170 0.657 1.00 11.66 H new ATOM 237 N LEU A 15 2.956 -9.058 -1.834 1.00 8.29 N ATOM 238 CA LEU A 15 3.014 -8.348 -3.096 1.00 9.03 C ATOM 239 C LEU A 15 4.425 -8.339 -3.547 1.00 8.59 C ATOM 240 O LEU A 15 5.378 -8.288 -2.803 1.00 7.79 O ATOM 241 CB LEU A 15 2.478 -6.882 -3.053 1.00 11.08 C ATOM 242 CG LEU A 15 1.069 -6.660 -2.426 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.937 -5.170 -2.306 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.066 -7.293 -3.276 1.00 15.27 C ATOM 0 H LEU A 15 3.503 -8.619 -1.093 1.00 8.29 H new ATOM 0 HA LEU A 15 2.354 -8.876 -3.785 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.194 -6.276 -2.498 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.459 -6.499 -4.073 1.00 11.08 H new ATOM 0 HG LEU A 15 0.974 -7.153 -1.458 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.032 -4.924 -1.871 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.730 -4.785 -1.666 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.016 -4.717 -3.294 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.027 -7.109 -2.795 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.067 -6.847 -4.271 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.098 -8.367 -3.360 1.00 15.27 H new ATOM 256 N GLU A 16 4.573 -8.424 -4.876 1.00 11.04 N ATOM 257 CA GLU A 16 5.759 -8.393 -5.733 1.00 11.50 C ATOM 258 C GLU A 16 5.997 -6.925 -5.985 1.00 10.13 C ATOM 259 O GLU A 16 5.251 -6.263 -6.746 1.00 9.83 O ATOM 260 CB GLU A 16 5.544 -9.198 -6.992 1.00 17.22 C ATOM 261 CG GLU A 16 6.637 -9.129 -8.122 1.00 23.33 C ATOM 262 CD GLU A 16 8.071 -9.637 -7.854 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.239 -10.815 -7.466 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.094 -8.934 -8.091 1.00 28.90 O ATOM 0 H GLU A 16 3.739 -8.532 -5.454 1.00 11.04 H new ATOM 0 HA GLU A 16 6.634 -8.854 -5.276 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.432 -10.243 -6.702 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.596 -8.884 -7.428 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.252 -9.685 -8.977 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.717 -8.086 -8.430 1.00 23.33 H new ATOM 271 N VAL A 17 7.006 -6.285 -5.343 1.00 8.99 N ATOM 272 CA VAL A 17 7.464 -4.931 -5.615 1.00 8.85 C ATOM 273 C VAL A 17 8.951 -4.744 -5.889 1.00 8.04 C ATOM 274 O VAL A 17 9.818 -5.611 -5.659 1.00 8.99 O ATOM 275 CB VAL A 17 6.899 -4.027 -4.524 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.304 -4.163 -4.438 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.702 -4.277 -3.210 1.00 10.54 C ATOM 0 H VAL A 17 7.534 -6.731 -4.593 1.00 8.99 H new ATOM 0 HA VAL A 17 7.072 -4.641 -6.590 1.00 8.85 H new ATOM 0 HB VAL A 17 7.038 -2.970 -4.752 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.925 -3.509 -3.653 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.862 -3.878 -5.393 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.039 -5.195 -4.210 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.311 -3.638 -2.418 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.602 -5.322 -2.916 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.754 -4.046 -3.377 1.00 10.54 H new ATOM 287 N GLU A 18 9.323 -3.606 -6.578 1.00 7.29 N ATOM 288 CA GLU A 18 10.613 -2.953 -6.424 1.00 7.08 C ATOM 289 C GLU A 18 10.551 -1.870 -5.329 1.00 6.45 C ATOM 290 O GLU A 18 9.457 -1.436 -4.987 1.00 5.28 O ATOM 291 CB GLU A 18 11.102 -2.338 -7.784 1.00 10.28 C ATOM 292 CG GLU A 18 11.036 -3.373 -8.930 1.00 12.65 C ATOM 293 CD GLU A 18 12.100 -4.493 -8.773 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.285 -4.145 -8.802 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.692 -5.670 -8.597 1.00 18.17 O ATOM 0 H GLU A 18 8.712 -3.141 -7.249 1.00 7.29 H new ATOM 0 HA GLU A 18 11.335 -3.709 -6.117 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.486 -1.475 -8.036 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.125 -1.979 -7.675 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.042 -3.820 -8.956 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.183 -2.866 -9.884 1.00 12.65 H new ATOM 302 N PRO A 19 11.608 -1.351 -4.695 1.00 7.24 N ATOM 303 CA PRO A 19 11.601 -0.069 -3.902 1.00 7.07 C ATOM 304 C PRO A 19 11.229 1.160 -4.754 1.00 6.65 C ATOM 305 O PRO A 19 10.774 2.154 -4.141 1.00 6.37 O ATOM 306 CB PRO A 19 13.103 0.001 -3.405 1.00 7.61 C ATOM 307 CG PRO A 19 13.637 -1.437 -3.484 1.00 8.16 C ATOM 308 CD PRO A 19 12.918 -2.057 -4.669 1.00 7.49 C ATOM 0 HA PRO A 19 10.859 -0.060 -3.104 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.691 0.672 -4.031 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.160 0.384 -2.386 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.718 -1.450 -3.627 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.430 -1.986 -2.565 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.472 -1.908 -5.596 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.791 -3.132 -4.543 1.00 7.49 H new ATOM 316 N SER A 20 11.414 1.072 -6.102 1.00 6.80 N ATOM 317 CA SER A 20 11.151 2.146 -7.019 1.00 6.28 C ATOM 318 C SER A 20 9.796 2.201 -7.530 1.00 8.45 C ATOM 319 O SER A 20 9.567 2.996 -8.426 1.00 7.26 O ATOM 320 CB SER A 20 12.127 2.005 -8.239 1.00 8.57 C ATOM 321 OG SER A 20 12.162 0.674 -8.794 1.00 11.13 O ATOM 0 H SER A 20 11.756 0.226 -6.558 1.00 6.80 H new ATOM 0 HA SER A 20 11.300 3.066 -6.453 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.828 2.707 -9.017 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.132 2.286 -7.925 1.00 8.57 H new ATOM 0 HG SER A 20 12.785 0.651 -9.550 1.00 11.13 H new ATOM 327 N ASP A 21 8.908 1.346 -7.106 1.00 7.50 N ATOM 328 CA ASP A 21 7.483 1.456 -7.325 1.00 7.70 C ATOM 329 C ASP A 21 6.910 2.602 -6.534 1.00 7.08 C ATOM 330 O ASP A 21 7.252 2.781 -5.291 1.00 8.11 O ATOM 331 CB ASP A 21 6.856 0.044 -7.143 1.00 11.00 C ATOM 332 CG ASP A 21 7.462 -1.068 -8.100 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.079 -0.682 -9.143 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.189 -2.262 -7.896 1.00 14.36 O ATOM 0 H ASP A 21 9.164 0.514 -6.574 1.00 7.50 H new ATOM 0 HA ASP A 21 7.224 1.742 -8.344 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.992 -0.270 -6.108 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.782 0.111 -7.317 1.00 11.00 H new ATOM 339 N THR A 22 6.094 3.443 -7.174 1.00 5.37 N ATOM 340 CA THR A 22 5.149 4.355 -6.527 1.00 6.01 C ATOM 341 C THR A 22 4.184 3.625 -5.638 1.00 8.01 C ATOM 342 O THR A 22 3.867 2.478 -5.797 1.00 8.11 O ATOM 343 CB THR A 22 4.446 5.320 -7.379 1.00 8.92 C ATOM 344 OG1 THR A 22 3.720 4.673 -8.445 1.00 10.22 O ATOM 345 CG2 THR A 22 5.524 6.224 -8.064 1.00 9.65 C ATOM 0 H THR A 22 6.073 3.510 -8.192 1.00 5.37 H new ATOM 0 HA THR A 22 5.811 4.982 -5.929 1.00 6.01 H new ATOM 0 HB THR A 22 3.747 5.875 -6.753 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.265 5.350 -8.988 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.032 6.954 -8.706 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.102 6.744 -7.300 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.191 5.604 -8.664 1.00 9.65 H new ATOM 353 N ILE A 23 3.620 4.384 -4.640 1.00 8.32 N ATOM 354 CA ILE A 23 2.552 3.867 -3.779 1.00 9.92 C ATOM 355 C ILE A 23 1.245 3.639 -4.590 1.00 10.01 C ATOM 356 O ILE A 23 0.484 2.713 -4.389 1.00 8.71 O ATOM 357 CB ILE A 23 2.219 4.707 -2.530 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.468 4.981 -1.658 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.926 4.246 -1.793 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.089 3.755 -1.002 1.00 12.30 C ATOM 0 H ILE A 23 3.899 5.343 -4.431 1.00 8.32 H new ATOM 0 HA ILE A 23 2.962 2.929 -3.406 1.00 9.92 H new ATOM 0 HB ILE A 23 1.930 5.702 -2.869 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.224 5.463 -2.278 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.196 5.691 -0.877 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.755 4.883 -0.925 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.075 4.320 -2.470 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.042 3.212 -1.467 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.956 4.057 -0.415 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.356 3.281 -0.349 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.400 3.049 -1.772 1.00 12.30 H new ATOM 372 N GLU A 24 1.041 4.483 -5.600 1.00 9.54 N ATOM 373 CA GLU A 24 -0.026 4.345 -6.591 1.00 11.81 C ATOM 374 C GLU A 24 0.069 2.974 -7.296 1.00 11.14 C ATOM 375 O GLU A 24 -0.912 2.248 -7.352 1.00 10.62 O ATOM 376 CB GLU A 24 0.119 5.526 -7.547 1.00 19.24 C ATOM 377 CG GLU A 24 -0.632 5.463 -8.901 1.00 27.76 C ATOM 378 CD GLU A 24 -0.584 6.837 -9.595 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.331 7.027 -10.389 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.547 7.641 -9.478 1.00 34.80 O ATOM 0 H GLU A 24 1.628 5.303 -5.756 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.017 4.367 -6.138 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.212 6.422 -7.023 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.180 5.655 -7.760 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.179 4.707 -9.542 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.668 5.165 -8.738 1.00 27.76 H new ATOM 387 N ASN A 25 1.325 2.530 -7.586 1.00 9.43 N ATOM 388 CA ASN A 25 1.639 1.164 -8.014 1.00 10.96 C ATOM 389 C ASN A 25 1.290 0.080 -6.959 1.00 9.68 C ATOM 390 O ASN A 25 0.743 -0.952 -7.244 1.00 9.33 O ATOM 391 CB ASN A 25 3.119 1.058 -8.477 1.00 16.78 C ATOM 392 CG ASN A 25 3.170 1.149 -9.970 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.482 0.143 -10.603 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.985 2.391 -10.533 1.00 24.70 N ATOM 0 H ASN A 25 2.148 3.130 -7.524 1.00 9.43 H new ATOM 0 HA ASN A 25 0.991 0.955 -8.865 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.711 1.857 -8.031 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.552 0.115 -8.142 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.107 2.519 -11.538 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.726 3.184 -9.946 1.00 24.70 H new ATOM 401 N VAL A 26 1.507 0.276 -5.644 1.00 6.52 N ATOM 402 CA VAL A 26 1.061 -0.665 -4.621 1.00 5.53 C ATOM 403 C VAL A 26 -0.440 -0.937 -4.593 1.00 4.42 C ATOM 404 O VAL A 26 -0.944 -2.047 -4.592 1.00 3.40 O ATOM 405 CB VAL A 26 1.625 -0.319 -3.243 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.450 -1.407 -2.172 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.172 -0.054 -3.430 1.00 8.12 C ATOM 0 H VAL A 26 1.995 1.090 -5.271 1.00 6.52 H new ATOM 0 HA VAL A 26 1.488 -1.621 -4.923 1.00 5.53 H new ATOM 0 HB VAL A 26 1.067 0.544 -2.880 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.883 -1.065 -1.232 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.389 -1.611 -2.030 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.954 -2.318 -2.493 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.617 0.198 -2.467 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.649 -0.950 -3.827 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.318 0.773 -4.124 1.00 8.12 H new ATOM 417 N LYS A 27 -1.194 0.127 -4.691 1.00 2.64 N ATOM 418 CA LYS A 27 -2.699 0.157 -4.758 1.00 4.14 C ATOM 419 C LYS A 27 -3.173 -0.498 -6.065 1.00 5.58 C ATOM 420 O LYS A 27 -4.111 -1.295 -6.194 1.00 4.11 O ATOM 421 CB LYS A 27 -3.334 1.565 -4.661 1.00 3.97 C ATOM 422 CG LYS A 27 -3.030 2.103 -3.298 1.00 7.45 C ATOM 423 CD LYS A 27 -3.753 3.460 -3.147 1.00 9.02 C ATOM 424 CE LYS A 27 -3.317 4.437 -2.060 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.029 5.718 -2.138 1.00 15.47 N ATOM 0 H LYS A 27 -0.790 1.063 -4.731 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.031 -0.393 -3.877 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.930 2.222 -5.431 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.411 1.512 -4.821 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.365 1.406 -2.530 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.955 2.228 -3.169 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.672 3.979 -4.102 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.810 3.249 -2.988 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.489 3.988 -1.082 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.245 4.615 -2.145 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.894 6.245 -1.251 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.654 6.276 -2.932 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.043 5.543 -2.286 1.00 15.47 H new ATOM 439 N ALA A 28 -2.402 -0.289 -7.141 1.00 6.61 N ATOM 440 CA ALA A 28 -2.546 -0.966 -8.438 1.00 7.74 C ATOM 441 C ALA A 28 -2.374 -2.488 -8.349 1.00 9.17 C ATOM 442 O ALA A 28 -3.196 -3.256 -8.801 1.00 11.45 O ATOM 443 CB ALA A 28 -1.665 -0.364 -9.516 1.00 7.68 C ATOM 0 H ALA A 28 -1.633 0.381 -7.132 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.579 -0.790 -8.738 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.814 -0.904 -10.451 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.928 0.684 -9.657 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.620 -0.439 -9.216 1.00 7.68 H new ATOM 449 N LYS A 29 -1.343 -2.954 -7.614 1.00 8.96 N ATOM 450 CA LYS A 29 -1.088 -4.292 -7.367 1.00 7.90 C ATOM 451 C LYS A 29 -2.131 -4.987 -6.435 1.00 6.92 C ATOM 452 O LYS A 29 -2.521 -6.137 -6.657 1.00 6.87 O ATOM 453 CB LYS A 29 0.361 -4.445 -6.785 1.00 10.28 C ATOM 454 CG LYS A 29 1.455 -4.117 -7.803 1.00 14.94 C ATOM 455 CD LYS A 29 2.902 -3.863 -7.222 1.00 19.69 C ATOM 456 CE LYS A 29 3.998 -3.483 -8.217 1.00 22.63 C ATOM 457 NZ LYS A 29 4.237 -4.669 -9.015 1.00 24.98 N ATOM 0 H LYS A 29 -0.661 -2.334 -7.177 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.175 -4.806 -8.324 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.470 -3.790 -5.920 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.498 -5.467 -6.430 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.513 -4.937 -8.518 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.150 -3.231 -8.359 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.832 -3.070 -6.477 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.219 -4.765 -6.699 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.685 -2.647 -8.843 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.905 -3.171 -7.699 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.003 -4.482 -9.694 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.510 -5.457 -8.393 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.370 -4.920 -9.532 1.00 24.98 H new ATOM 471 N ILE A 30 -2.603 -4.290 -5.394 1.00 4.57 N ATOM 472 CA ILE A 30 -3.682 -4.692 -4.620 1.00 5.58 C ATOM 473 C ILE A 30 -5.016 -4.822 -5.400 1.00 7.26 C ATOM 474 O ILE A 30 -5.737 -5.789 -5.327 1.00 9.46 O ATOM 475 CB ILE A 30 -3.856 -3.813 -3.352 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.641 -3.910 -2.417 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.150 -4.135 -2.541 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.693 -2.735 -1.409 1.00 2.00 C ATOM 0 H ILE A 30 -2.198 -3.404 -5.093 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.427 -5.702 -4.300 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.946 -2.795 -3.732 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.647 -4.863 -1.887 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.717 -3.872 -2.994 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.205 -3.483 -1.670 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.024 -3.973 -3.171 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.126 -5.175 -2.215 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.835 -2.792 -0.739 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.668 -1.789 -1.951 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.613 -2.795 -0.827 1.00 2.00 H new ATOM 490 N GLN A 31 -5.306 -3.817 -6.294 1.00 7.06 N ATOM 491 CA GLN A 31 -6.461 -3.903 -7.224 1.00 8.67 C ATOM 492 C GLN A 31 -6.327 -5.112 -8.057 1.00 10.90 C ATOM 493 O GLN A 31 -7.262 -5.837 -8.319 1.00 9.63 O ATOM 494 CB GLN A 31 -6.563 -2.672 -8.126 1.00 9.12 C ATOM 495 CG GLN A 31 -7.877 -2.736 -8.897 1.00 10.76 C ATOM 496 CD GLN A 31 -8.118 -1.523 -9.761 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.245 -1.028 -10.440 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.439 -1.240 -9.875 1.00 14.76 N ATOM 0 H GLN A 31 -4.761 -2.959 -6.381 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.370 -3.951 -6.625 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.520 -1.761 -7.528 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.721 -2.640 -8.817 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.880 -3.627 -9.524 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.701 -2.841 -8.191 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.114 -1.700 -9.264 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.758 -0.567 -10.572 1.00 14.76 H new ATOM 507 N ASP A 32 -5.107 -5.435 -8.556 1.00 10.93 N ATOM 508 CA ASP A 32 -4.830 -6.632 -9.368 1.00 14.01 C ATOM 509 C ASP A 32 -5.159 -7.874 -8.516 1.00 14.04 C ATOM 510 O ASP A 32 -5.730 -8.781 -9.107 1.00 13.39 O ATOM 511 CB ASP A 32 -3.363 -6.725 -9.875 1.00 18.01 C ATOM 512 CG ASP A 32 -3.128 -7.795 -10.897 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.933 -7.881 -11.892 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.117 -8.487 -10.762 1.00 26.29 O ATOM 0 H ASP A 32 -4.281 -4.858 -8.399 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.452 -6.572 -10.261 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.077 -5.763 -10.301 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.707 -6.903 -9.023 1.00 18.01 H new ATOM 519 N LYS A 33 -4.757 -8.089 -7.252 1.00 14.22 N ATOM 520 CA LYS A 33 -5.030 -9.276 -6.471 1.00 14.00 C ATOM 521 C LYS A 33 -6.496 -9.312 -5.981 1.00 12.37 C ATOM 522 O LYS A 33 -7.235 -10.310 -6.055 1.00 12.17 O ATOM 523 CB LYS A 33 -4.072 -9.268 -5.264 1.00 18.62 C ATOM 524 CG LYS A 33 -4.080 -10.630 -4.605 1.00 24.00 C ATOM 525 CD LYS A 33 -3.035 -10.807 -3.511 1.00 27.61 C ATOM 526 CE LYS A 33 -1.584 -10.616 -3.908 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.080 -11.681 -4.803 1.00 30.06 N ATOM 0 H LYS A 33 -4.209 -7.400 -6.737 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.878 -10.161 -7.089 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.063 -9.015 -5.589 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.377 -8.504 -4.549 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -5.067 -10.808 -4.179 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.920 -11.391 -5.369 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.262 -10.105 -2.709 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.144 -11.810 -3.097 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.473 -9.651 -4.403 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.969 -10.585 -3.009 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.084 -11.494 -5.038 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.156 -12.601 -4.325 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.645 -11.697 -5.676 1.00 30.06 H new ATOM 541 N GLU A 34 -6.972 -8.197 -5.389 1.00 10.11 N ATOM 542 CA GLU A 34 -8.137 -8.273 -4.511 1.00 10.07 C ATOM 543 C GLU A 34 -9.353 -7.474 -5.009 1.00 9.32 C ATOM 544 O GLU A 34 -10.350 -7.354 -4.297 1.00 11.61 O ATOM 545 CB GLU A 34 -7.785 -7.797 -3.119 1.00 14.77 C ATOM 546 CG GLU A 34 -6.812 -8.758 -2.402 1.00 18.75 C ATOM 547 CD GLU A 34 -7.410 -10.090 -2.164 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.403 -10.199 -1.357 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.975 -11.092 -2.786 1.00 25.19 O ATOM 0 H GLU A 34 -6.576 -7.264 -5.503 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.421 -9.325 -4.505 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.336 -6.806 -3.179 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.696 -7.699 -2.529 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.908 -8.870 -3.001 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.511 -8.322 -1.449 1.00 18.75 H new ATOM 556 N GLY A 35 -9.297 -6.878 -6.266 1.00 7.22 N ATOM 557 CA GLY A 35 -10.434 -6.080 -6.726 1.00 6.29 C ATOM 558 C GLY A 35 -10.934 -4.984 -5.837 1.00 6.93 C ATOM 559 O GLY A 35 -12.141 -4.742 -5.688 1.00 7.41 O ATOM 0 H GLY A 35 -8.514 -6.947 -6.916 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.163 -5.635 -7.683 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.264 -6.761 -6.915 1.00 6.29 H new ATOM 563 N ILE A 36 -10.013 -4.200 -5.282 1.00 5.86 N ATOM 564 CA ILE A 36 -10.320 -2.919 -4.595 1.00 6.07 C ATOM 565 C ILE A 36 -9.897 -1.751 -5.516 1.00 6.36 C ATOM 566 O ILE A 36 -8.694 -1.719 -5.796 1.00 6.18 O ATOM 567 CB ILE A 36 -9.725 -2.738 -3.186 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.948 -4.001 -2.368 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.298 -1.527 -2.522 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.453 -3.956 -0.926 1.00 9.49 C ATOM 0 H ILE A 36 -9.018 -4.426 -5.289 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.395 -2.932 -4.417 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.650 -2.576 -3.265 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.016 -4.221 -2.359 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.456 -4.831 -2.875 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.864 -1.418 -1.528 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.069 -0.643 -3.117 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.379 -1.636 -2.436 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.664 -4.908 -0.439 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.378 -3.773 -0.916 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.962 -3.154 -0.391 1.00 9.49 H new ATOM 582 N PRO A 37 -10.686 -0.809 -6.083 1.00 8.65 N ATOM 583 CA PRO A 37 -10.141 0.367 -6.656 1.00 9.18 C ATOM 584 C PRO A 37 -9.174 1.177 -5.831 1.00 9.85 C ATOM 585 O PRO A 37 -9.438 1.228 -4.644 1.00 8.51 O ATOM 586 CB PRO A 37 -11.412 1.213 -7.027 1.00 11.42 C ATOM 587 CG PRO A 37 -12.489 0.176 -7.242 1.00 9.27 C ATOM 588 CD PRO A 37 -12.119 -0.968 -6.228 1.00 8.33 C ATOM 0 HA PRO A 37 -9.499 0.081 -7.489 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.678 1.905 -6.228 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.247 1.809 -7.924 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.481 0.582 -7.042 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.495 -0.187 -8.270 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.638 -0.851 -5.277 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.381 -1.953 -6.615 1.00 8.33 H new ATOM 596 N PRO A 38 -8.104 1.739 -6.319 1.00 8.71 N ATOM 597 CA PRO A 38 -7.210 2.617 -5.543 1.00 9.08 C ATOM 598 C PRO A 38 -7.836 3.722 -4.809 1.00 9.28 C ATOM 599 O PRO A 38 -7.446 4.061 -3.693 1.00 6.50 O ATOM 600 CB PRO A 38 -6.127 3.056 -6.570 1.00 10.31 C ATOM 601 CG PRO A 38 -6.007 1.897 -7.537 1.00 10.81 C ATOM 602 CD PRO A 38 -7.472 1.412 -7.626 1.00 12.00 C ATOM 0 HA PRO A 38 -6.793 2.074 -4.695 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.420 3.971 -7.085 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.176 3.259 -6.078 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.620 2.211 -8.506 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.340 1.120 -7.164 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.995 1.906 -8.445 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.515 0.340 -7.821 1.00 12.00 H new ATOM 610 N ASP A 39 -8.920 4.346 -5.370 1.00 11.20 N ATOM 611 CA ASP A 39 -9.678 5.363 -4.696 1.00 14.96 C ATOM 612 C ASP A 39 -10.307 4.901 -3.467 1.00 13.99 C ATOM 613 O ASP A 39 -10.636 5.696 -2.574 1.00 13.75 O ATOM 614 CB ASP A 39 -10.698 6.027 -5.667 1.00 24.16 C ATOM 615 CG ASP A 39 -10.135 6.634 -6.927 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.391 5.965 -7.671 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.371 7.841 -7.155 1.00 35.55 O ATOM 0 H ASP A 39 -9.264 4.132 -6.306 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.966 6.125 -4.379 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.436 5.277 -5.951 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.230 6.807 -5.121 1.00 24.16 H new ATOM 622 N GLN A 40 -10.463 3.552 -3.133 1.00 11.60 N ATOM 623 CA GLN A 40 -11.005 3.075 -1.954 1.00 10.76 C ATOM 624 C GLN A 40 -9.866 2.539 -0.963 1.00 8.01 C ATOM 625 O GLN A 40 -10.186 1.737 -0.130 1.00 8.96 O ATOM 626 CB GLN A 40 -12.074 1.954 -2.147 1.00 11.14 C ATOM 627 CG GLN A 40 -13.348 2.455 -2.809 1.00 14.85 C ATOM 628 CD GLN A 40 -14.350 1.329 -2.905 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.309 0.306 -2.242 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.358 1.316 -3.790 1.00 18.16 N ATOM 0 H GLN A 40 -10.175 2.803 -3.763 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.513 3.935 -1.519 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.648 1.153 -2.752 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.321 1.524 -1.176 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.768 3.280 -2.233 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.125 2.841 -3.803 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.504 2.114 -4.408 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.978 0.508 -3.845 1.00 18.16 H new ATOM 639 N GLN A 41 -8.653 2.978 -1.099 1.00 6.52 N ATOM 640 CA GLN A 41 -7.564 2.344 -0.314 1.00 3.87 C ATOM 641 C GLN A 41 -6.707 3.452 0.350 1.00 4.79 C ATOM 642 O GLN A 41 -6.189 4.385 -0.248 1.00 6.34 O ATOM 643 CB GLN A 41 -6.611 1.463 -1.197 1.00 4.20 C ATOM 644 CG GLN A 41 -7.197 0.277 -2.001 1.00 3.20 C ATOM 645 CD GLN A 41 -6.155 -0.472 -2.878 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.047 -0.707 -2.442 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.487 -0.803 -4.175 1.00 7.13 N ATOM 0 H GLN A 41 -8.368 3.741 -1.713 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.039 1.698 0.424 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.117 2.127 -1.907 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.836 1.063 -0.543 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.647 -0.432 -1.306 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.997 0.647 -2.642 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.422 -0.600 -4.530 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.798 -1.251 -4.779 1.00 7.13 H new ATOM 656 N ARG A 42 -6.478 3.344 1.682 1.00 5.73 N ATOM 657 CA ARG A 42 -5.529 4.185 2.352 1.00 6.97 C ATOM 658 C ARG A 42 -4.346 3.420 2.901 1.00 7.15 C ATOM 659 O ARG A 42 -4.522 2.477 3.661 1.00 7.33 O ATOM 660 CB ARG A 42 -6.136 5.028 3.570 1.00 13.23 C ATOM 661 CG ARG A 42 -7.298 5.883 3.103 1.00 21.27 C ATOM 662 CD ARG A 42 -7.910 6.987 3.999 1.00 26.14 C ATOM 663 NE ARG A 42 -7.049 8.236 3.958 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.462 9.368 4.522 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.612 9.552 5.102 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.707 10.466 4.484 1.00 36.39 N ATOM 0 H ARG A 42 -6.951 2.675 2.289 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.218 4.867 1.561 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.469 4.351 4.357 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.362 5.662 4.002 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.982 6.366 2.178 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.108 5.201 2.846 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.919 7.222 3.661 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.993 6.628 5.025 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.142 8.207 3.492 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.286 8.788 5.151 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.839 10.460 5.507 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -5.800 10.445 4.018 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.037 11.327 4.921 1.00 36.39 H new ATOM 680 N LEU A 43 -3.054 3.681 2.514 1.00 4.65 N ATOM 681 CA LEU A 43 -1.901 2.823 2.960 1.00 3.51 C ATOM 682 C LEU A 43 -1.075 3.505 4.062 1.00 5.56 C ATOM 683 O LEU A 43 -0.818 4.725 4.016 1.00 4.19 O ATOM 684 CB LEU A 43 -1.056 2.494 1.693 1.00 3.74 C ATOM 685 CG LEU A 43 -1.729 1.912 0.380 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.722 1.052 -0.434 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.969 0.999 0.582 1.00 6.41 C ATOM 0 H LEU A 43 -2.789 4.459 1.909 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.262 1.899 3.412 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.543 3.412 1.407 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.289 1.782 1.999 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.050 2.820 -0.130 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.212 0.667 -1.328 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.130 1.667 -0.724 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.377 0.219 0.178 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.337 0.665 -0.388 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.689 0.133 1.181 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.752 1.557 1.095 1.00 6.41 H new ATOM 699 N ILE A 44 -0.757 2.779 5.102 1.00 4.58 N ATOM 700 CA ILE A 44 -0.157 3.317 6.333 1.00 5.55 C ATOM 701 C ILE A 44 1.122 2.452 6.490 1.00 5.46 C ATOM 702 O ILE A 44 1.114 1.221 6.398 1.00 6.04 O ATOM 703 CB ILE A 44 -1.141 3.266 7.559 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.327 4.206 7.348 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.323 3.611 8.827 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.415 3.962 8.406 1.00 13.90 C ATOM 0 H ILE A 44 -0.905 1.770 5.135 1.00 4.58 H new ATOM 0 HA ILE A 44 0.076 4.381 6.284 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.573 2.271 7.671 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.989 5.241 7.400 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.743 4.056 6.352 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.976 3.585 9.699 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.479 2.883 8.952 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.105 4.608 8.724 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.249 4.643 8.235 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.767 2.933 8.335 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.002 4.137 9.400 1.00 13.90 H new ATOM 718 N PHE A 45 2.277 3.082 6.779 1.00 6.75 N ATOM 719 CA PHE A 45 3.479 2.436 7.280 1.00 4.70 C ATOM 720 C PHE A 45 3.902 3.114 8.591 1.00 6.34 C ATOM 721 O PHE A 45 4.139 4.313 8.675 1.00 5.45 O ATOM 722 CB PHE A 45 4.590 2.439 6.216 1.00 5.51 C ATOM 723 CG PHE A 45 5.777 1.621 6.565 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.661 0.253 6.606 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.869 2.245 7.181 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.722 -0.527 7.062 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.997 1.504 7.592 1.00 6.64 C ATOM 728 CZ PHE A 45 7.894 0.061 7.649 1.00 6.84 C ATOM 0 H PHE A 45 2.390 4.089 6.662 1.00 6.75 H new ATOM 0 HA PHE A 45 3.277 1.387 7.496 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.176 2.074 5.276 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.910 3.467 6.046 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.745 -0.220 6.284 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.847 3.312 7.344 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.662 -1.602 6.972 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.917 2.002 7.858 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.661 -0.544 8.110 1.00 6.84 H new ATOM 738 N ALA A 46 3.944 2.376 9.704 1.00 6.53 N ATOM 739 CA ALA A 46 4.321 2.676 11.029 1.00 7.15 C ATOM 740 C ALA A 46 3.699 3.985 11.584 1.00 9.00 C ATOM 741 O ALA A 46 4.364 4.800 12.182 1.00 11.15 O ATOM 742 CB ALA A 46 5.831 2.589 11.241 1.00 8.99 C ATOM 0 H ALA A 46 3.660 1.398 9.648 1.00 6.53 H new ATOM 0 HA ALA A 46 3.880 1.887 11.639 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.067 2.829 12.278 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.172 1.579 11.016 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.332 3.297 10.581 1.00 8.99 H new ATOM 748 N GLY A 47 2.381 4.103 11.315 1.00 9.35 N ATOM 749 CA GLY A 47 1.565 5.253 11.717 1.00 11.68 C ATOM 750 C GLY A 47 1.636 6.449 10.829 1.00 11.14 C ATOM 751 O GLY A 47 1.051 7.502 11.085 1.00 13.93 O ATOM 0 H GLY A 47 1.855 3.392 10.807 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.525 4.932 11.778 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.865 5.553 12.721 1.00 11.68 H new ATOM 755 N LYS A 48 2.288 6.275 9.684 1.00 10.47 N ATOM 756 CA LYS A 48 2.424 7.392 8.717 1.00 8.82 C ATOM 757 C LYS A 48 1.769 7.129 7.338 1.00 7.68 C ATOM 758 O LYS A 48 1.996 6.138 6.653 1.00 6.47 O ATOM 759 CB LYS A 48 3.865 7.722 8.392 1.00 9.74 C ATOM 760 CG LYS A 48 4.558 8.592 9.485 1.00 14.14 C ATOM 761 CD LYS A 48 4.098 10.082 9.672 1.00 16.32 C ATOM 762 CE LYS A 48 4.245 10.925 8.419 1.00 20.04 C ATOM 763 NZ LYS A 48 3.989 12.374 8.682 1.00 23.92 N ATOM 0 H LYS A 48 2.725 5.400 9.395 1.00 10.47 H new ATOM 0 HA LYS A 48 1.919 8.205 9.240 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.424 6.795 8.267 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.904 8.249 7.439 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.429 8.085 10.441 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.627 8.601 9.271 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.055 10.094 9.988 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.680 10.535 10.475 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.250 10.802 8.016 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.551 10.567 7.658 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 4.100 12.912 7.799 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 3.021 12.496 9.042 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.667 12.724 9.388 1.00 23.92 H new ATOM 777 N GLN A 49 0.956 8.067 6.914 1.00 8.89 N ATOM 778 CA GLN A 49 0.114 7.944 5.694 1.00 7.18 C ATOM 779 C GLN A 49 0.929 8.017 4.462 1.00 8.23 C ATOM 780 O GLN A 49 1.791 8.871 4.307 1.00 9.70 O ATOM 781 CB GLN A 49 -1.016 8.979 5.664 1.00 11.67 C ATOM 782 CG GLN A 49 -1.855 8.945 6.948 1.00 15.82 C ATOM 783 CD GLN A 49 -2.969 10.047 6.985 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.675 11.233 7.196 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.220 9.622 6.836 1.00 20.67 N ATOM 0 H GLN A 49 0.842 8.959 7.396 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.350 6.958 5.734 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.593 9.975 5.533 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.659 8.790 4.805 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.320 7.964 7.045 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.197 9.073 7.808 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.406 8.634 6.664 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.994 10.284 6.894 1.00 20.67 H new ATOM 794 N LEU A 50 0.680 7.159 3.475 1.00 6.51 N ATOM 795 CA LEU A 50 1.430 7.167 2.246 1.00 7.41 C ATOM 796 C LEU A 50 0.782 8.009 1.183 1.00 8.27 C ATOM 797 O LEU A 50 -0.408 8.143 1.114 1.00 8.34 O ATOM 798 CB LEU A 50 1.713 5.680 1.844 1.00 7.13 C ATOM 799 CG LEU A 50 2.272 4.805 3.066 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.513 3.366 2.618 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.630 5.368 3.510 1.00 9.11 C ATOM 0 H LEU A 50 -0.048 6.445 3.516 1.00 6.51 H new ATOM 0 HA LEU A 50 2.393 7.660 2.384 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.795 5.228 1.469 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.435 5.660 1.028 1.00 7.13 H new ATOM 0 HG LEU A 50 1.541 4.837 3.874 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.892 2.782 3.457 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.576 2.932 2.268 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.243 3.354 1.808 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.015 4.777 4.341 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.332 5.324 2.677 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.508 6.404 3.827 1.00 9.11 H new ATOM 813 N GLU A 51 1.584 8.641 0.288 1.00 9.43 N ATOM 814 CA GLU A 51 1.187 9.497 -0.773 1.00 11.90 C ATOM 815 C GLU A 51 1.391 8.869 -2.108 1.00 11.49 C ATOM 816 O GLU A 51 2.362 8.094 -2.290 1.00 9.88 O ATOM 817 CB GLU A 51 1.677 10.973 -0.505 1.00 16.56 C ATOM 818 CG GLU A 51 0.851 11.975 -1.335 1.00 26.06 C ATOM 819 CD GLU A 51 1.353 13.409 -1.111 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.279 13.877 -1.853 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.805 14.024 -0.155 1.00 33.44 O ATOM 0 H GLU A 51 2.598 8.533 0.324 1.00 9.43 H new ATOM 0 HA GLU A 51 0.106 9.630 -0.804 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.584 11.206 0.556 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.733 11.064 -0.760 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.919 11.722 -2.393 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.201 11.905 -1.057 1.00 26.06 H new ATOM 828 N ASP A 52 0.451 9.035 -3.046 1.00 12.71 N ATOM 829 CA ASP A 52 0.340 8.103 -4.149 1.00 16.56 C ATOM 830 C ASP A 52 1.481 8.227 -5.092 1.00 15.83 C ATOM 831 O ASP A 52 1.966 7.206 -5.587 1.00 17.21 O ATOM 832 CB ASP A 52 -0.981 8.414 -4.967 1.00 21.05 C ATOM 833 CG ASP A 52 -2.213 8.139 -4.049 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.511 6.922 -3.920 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.905 9.156 -3.692 1.00 25.82 O ATOM 0 H ASP A 52 -0.228 9.796 -3.056 1.00 12.71 H new ATOM 0 HA ASP A 52 0.328 7.099 -3.725 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.983 9.451 -5.302 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.028 7.791 -5.860 1.00 21.05 H new ATOM 840 N GLY A 53 1.965 9.446 -5.360 1.00 15.00 N ATOM 841 CA GLY A 53 3.043 9.609 -6.366 1.00 11.77 C ATOM 842 C GLY A 53 4.438 9.449 -5.843 1.00 11.10 C ATOM 843 O GLY A 53 5.425 9.555 -6.614 1.00 11.25 O ATOM 0 H GLY A 53 1.648 10.309 -4.918 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.886 8.882 -7.163 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.952 10.598 -6.814 1.00 11.77 H new ATOM 847 N ARG A 54 4.592 9.251 -4.517 1.00 8.53 N ATOM 848 CA ARG A 54 5.854 8.912 -3.927 1.00 9.05 C ATOM 849 C ARG A 54 6.152 7.383 -4.051 1.00 8.96 C ATOM 850 O ARG A 54 5.289 6.655 -4.476 1.00 11.60 O ATOM 851 CB ARG A 54 5.645 9.332 -2.470 1.00 7.97 C ATOM 852 CG ARG A 54 5.685 10.829 -2.154 1.00 9.62 C ATOM 853 CD ARG A 54 7.105 11.389 -1.994 1.00 12.20 C ATOM 854 NE ARG A 54 6.919 12.742 -1.428 1.00 18.23 N ATOM 855 CZ ARG A 54 7.979 13.478 -1.089 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.245 12.983 -1.190 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.873 14.730 -0.660 1.00 23.38 N ATOM 0 H ARG A 54 3.828 9.328 -3.845 1.00 8.53 H new ATOM 0 HA ARG A 54 6.707 9.395 -4.403 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.680 8.945 -2.143 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.407 8.840 -1.865 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.177 11.373 -2.951 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.126 11.012 -1.236 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.704 10.763 -1.333 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.624 11.429 -2.952 1.00 12.20 H new ATOM 0 HE ARG A 54 5.978 13.114 -1.296 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.396 12.033 -1.530 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.042 13.562 -0.926 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.954 15.165 -0.579 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.710 15.257 -0.411 1.00 23.38 H new ATOM 871 N THR A 55 7.377 7.010 -3.822 1.00 9.05 N ATOM 872 CA THR A 55 7.926 5.682 -4.071 1.00 9.03 C ATOM 873 C THR A 55 8.190 5.063 -2.766 1.00 8.15 C ATOM 874 O THR A 55 8.350 5.767 -1.742 1.00 5.91 O ATOM 875 CB THR A 55 9.219 5.634 -4.879 1.00 11.15 C ATOM 876 OG1 THR A 55 10.299 6.343 -4.308 1.00 11.95 O ATOM 877 CG2 THR A 55 8.902 6.202 -6.315 1.00 11.71 C ATOM 0 H THR A 55 8.070 7.651 -3.435 1.00 9.05 H new ATOM 0 HA THR A 55 7.184 5.160 -4.675 1.00 9.03 H new ATOM 0 HB THR A 55 9.549 4.596 -4.906 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.039 5.725 -4.132 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.807 6.182 -6.922 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.135 5.589 -6.788 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.544 7.228 -6.230 1.00 11.71 H new ATOM 885 N LEU A 56 8.254 3.748 -2.751 1.00 6.91 N ATOM 886 CA LEU A 56 8.632 2.934 -1.536 1.00 8.29 C ATOM 887 C LEU A 56 10.012 3.330 -0.943 1.00 8.05 C ATOM 888 O LEU A 56 10.160 3.324 0.305 1.00 10.17 O ATOM 889 CB LEU A 56 8.486 1.445 -1.839 1.00 6.60 C ATOM 890 CG LEU A 56 7.084 0.986 -2.151 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.144 -0.359 -2.886 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.177 0.870 -0.886 1.00 8.64 C ATOM 0 H LEU A 56 8.050 3.177 -3.571 1.00 6.91 H new ATOM 0 HA LEU A 56 7.932 3.168 -0.734 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.128 1.198 -2.685 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.854 0.879 -0.983 1.00 6.60 H new ATOM 0 HG LEU A 56 6.628 1.747 -2.784 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.132 -0.695 -3.114 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.705 -0.242 -3.813 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.638 -1.097 -2.254 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.182 0.535 -1.181 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.611 0.150 -0.192 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.103 1.843 -0.401 1.00 8.64 H new ATOM 904 N SER A 57 11.046 3.579 -1.739 1.00 8.92 N ATOM 905 CA SER A 57 12.373 4.058 -1.343 1.00 9.00 C ATOM 906 C SER A 57 12.351 5.436 -0.671 1.00 9.44 C ATOM 907 O SER A 57 13.219 5.791 0.118 1.00 10.91 O ATOM 908 CB SER A 57 13.283 4.169 -2.613 1.00 10.32 C ATOM 909 OG SER A 57 12.634 4.958 -3.648 1.00 13.59 O ATOM 0 H SER A 57 10.978 3.443 -2.748 1.00 8.92 H new ATOM 0 HA SER A 57 12.754 3.336 -0.621 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.235 4.627 -2.344 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.505 3.172 -2.995 1.00 10.32 H new ATOM 0 HG SER A 57 13.220 5.016 -4.431 1.00 13.59 H new ATOM 915 N ASP A 58 11.333 6.261 -0.864 1.00 9.11 N ATOM 916 CA ASP A 58 11.214 7.567 -0.293 1.00 7.91 C ATOM 917 C ASP A 58 10.375 7.459 0.992 1.00 9.12 C ATOM 918 O ASP A 58 10.161 8.424 1.743 1.00 8.61 O ATOM 919 CB ASP A 58 10.464 8.438 -1.305 1.00 8.41 C ATOM 920 CG ASP A 58 10.883 9.957 -1.199 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.482 10.408 -0.231 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.562 10.674 -2.158 1.00 10.05 O ATOM 0 H ASP A 58 10.538 6.014 -1.453 1.00 9.11 H new ATOM 0 HA ASP A 58 12.191 7.992 -0.062 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.663 8.076 -2.314 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.391 8.345 -1.139 1.00 8.41 H new ATOM 927 N TYR A 59 10.058 6.216 1.365 1.00 7.97 N ATOM 928 CA TYR A 59 9.460 5.916 2.631 1.00 8.45 C ATOM 929 C TYR A 59 10.364 4.908 3.344 1.00 10.98 C ATOM 930 O TYR A 59 9.971 4.331 4.375 1.00 12.95 O ATOM 931 CB TYR A 59 8.071 5.326 2.553 1.00 7.94 C ATOM 932 CG TYR A 59 7.113 6.322 2.073 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.924 7.528 2.784 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.407 6.071 0.868 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.011 8.491 2.336 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.610 7.114 0.411 1.00 6.52 C ATOM 937 CZ TYR A 59 5.426 8.275 1.172 1.00 6.76 C ATOM 938 OH TYR A 59 4.559 9.205 0.704 1.00 7.63 O ATOM 0 H TYR A 59 10.218 5.396 0.779 1.00 7.97 H new ATOM 0 HA TYR A 59 9.359 6.863 3.161 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.073 4.465 1.885 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.767 4.966 3.536 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.491 7.710 3.685 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.484 5.132 0.341 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.794 9.374 2.919 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.123 7.027 -0.549 1.00 6.52 H new ATOM 0 HH TYR A 59 4.975 10.091 0.747 1.00 7.63 H new ATOM 948 N ASN A 60 11.602 4.600 2.865 1.00 12.38 N ATOM 949 CA ASN A 60 12.509 3.583 3.370 1.00 13.94 C ATOM 950 C ASN A 60 11.960 2.236 3.450 1.00 14.16 C ATOM 951 O ASN A 60 12.338 1.516 4.371 1.00 14.26 O ATOM 952 CB ASN A 60 13.319 3.938 4.662 1.00 19.23 C ATOM 953 CG ASN A 60 13.915 5.311 4.568 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.386 5.674 3.496 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.998 6.128 5.658 1.00 24.09 N ATOM 0 H ASN A 60 11.997 5.098 2.067 1.00 12.38 H new ATOM 0 HA ASN A 60 13.242 3.580 2.563 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.664 3.882 5.532 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.111 3.204 4.811 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.451 7.038 5.580 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.607 5.828 6.551 1.00 24.09 H new ATOM 962 N ILE A 61 11.032 1.800 2.602 1.00 11.08 N ATOM 963 CA ILE A 61 10.456 0.472 2.728 1.00 11.78 C ATOM 964 C ILE A 61 11.380 -0.626 2.115 1.00 13.74 C ATOM 965 O ILE A 61 12.166 -0.468 1.186 1.00 14.60 O ATOM 966 CB ILE A 61 9.003 0.564 2.233 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.200 1.257 3.353 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.363 -0.793 1.965 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.748 1.649 2.997 1.00 11.42 C ATOM 0 H ILE A 61 10.666 2.348 1.824 1.00 11.08 H new ATOM 0 HA ILE A 61 10.400 0.124 3.760 1.00 11.78 H new ATOM 0 HB ILE A 61 8.998 1.107 1.288 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.176 0.596 4.219 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.736 2.157 3.654 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.339 -0.650 1.619 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.934 -1.320 1.201 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.357 -1.380 2.883 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.279 2.128 3.857 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.754 2.341 2.155 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.185 0.755 2.728 1.00 11.42 H new ATOM 981 N GLN A 62 11.375 -1.827 2.687 1.00 13.97 N ATOM 982 CA GLN A 62 12.394 -2.818 2.495 1.00 15.52 C ATOM 983 C GLN A 62 11.626 -4.182 2.341 1.00 13.94 C ATOM 984 O GLN A 62 10.391 -4.293 2.553 1.00 12.15 O ATOM 985 CB GLN A 62 13.457 -2.862 3.634 1.00 19.53 C ATOM 986 CG GLN A 62 14.297 -1.614 3.550 1.00 26.38 C ATOM 987 CD GLN A 62 15.249 -1.362 4.765 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.858 -1.147 5.935 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.528 -1.055 4.440 1.00 32.71 N ATOM 0 H GLN A 62 10.631 -2.133 3.315 1.00 13.97 H new ATOM 0 HA GLN A 62 12.989 -2.583 1.612 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.968 -2.925 4.606 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.084 -3.748 3.534 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.899 -1.662 2.643 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.633 -0.756 3.447 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.868 -1.222 3.493 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.151 -0.657 5.143 1.00 32.71 H new ATOM 998 N LYS A 63 12.362 -5.221 1.918 1.00 11.73 N ATOM 999 CA LYS A 63 11.828 -6.570 1.778 1.00 11.97 C ATOM 1000 C LYS A 63 11.211 -7.132 3.023 1.00 10.41 C ATOM 1001 O LYS A 63 11.751 -7.132 4.129 1.00 9.59 O ATOM 1002 CB LYS A 63 13.028 -7.438 1.277 1.00 13.73 C ATOM 1003 CG LYS A 63 14.257 -7.518 2.113 1.00 16.98 C ATOM 1004 CD LYS A 63 15.491 -7.991 1.384 1.00 20.19 C ATOM 1005 CE LYS A 63 15.438 -9.437 1.158 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.360 -10.192 2.425 1.00 25.97 N ATOM 0 H LYS A 63 13.347 -5.141 1.664 1.00 11.73 H new ATOM 0 HA LYS A 63 10.993 -6.565 1.077 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.662 -8.454 1.132 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.320 -7.062 0.297 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.457 -6.533 2.535 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.067 -8.190 2.950 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.577 -7.472 0.429 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.380 -7.741 1.964 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.573 -9.676 0.540 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.322 -9.750 0.603 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.997 -11.013 2.380 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.644 -9.577 3.214 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.384 -10.519 2.575 1.00 25.97 H new ATOM 1020 N GLU A 64 10.018 -7.683 2.873 1.00 10.04 N ATOM 1021 CA GLU A 64 9.255 -8.284 3.920 1.00 10.94 C ATOM 1022 C GLU A 64 8.699 -7.352 4.960 1.00 9.74 C ATOM 1023 O GLU A 64 8.398 -7.660 6.140 1.00 9.42 O ATOM 1024 CB GLU A 64 9.916 -9.489 4.572 1.00 18.31 C ATOM 1025 CG GLU A 64 10.197 -10.687 3.630 1.00 24.16 C ATOM 1026 CD GLU A 64 10.715 -11.870 4.350 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.113 -12.385 5.297 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.835 -12.332 3.992 1.00 32.61 O ATOM 0 H GLU A 64 9.545 -7.718 1.970 1.00 10.04 H new ATOM 0 HA GLU A 64 8.391 -8.643 3.361 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.859 -9.169 5.015 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.281 -9.832 5.388 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.279 -10.957 3.109 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.918 -10.385 2.870 1.00 24.16 H new ATOM 1035 N SER A 65 8.535 -6.067 4.594 1.00 6.85 N ATOM 1036 CA SER A 65 7.891 -4.979 5.373 1.00 6.90 C ATOM 1037 C SER A 65 6.425 -5.253 5.477 1.00 4.72 C ATOM 1038 O SER A 65 5.794 -5.793 4.555 1.00 3.91 O ATOM 1039 CB SER A 65 7.956 -3.511 4.823 1.00 7.28 C ATOM 1040 OG SER A 65 9.288 -2.993 4.855 1.00 10.56 O ATOM 0 H SER A 65 8.868 -5.734 3.689 1.00 6.85 H new ATOM 0 HA SER A 65 8.470 -5.002 6.296 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.581 -3.489 3.800 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.302 -2.871 5.416 1.00 7.28 H new ATOM 0 HG SER A 65 9.839 -3.467 4.198 1.00 10.56 H new ATOM 1046 N THR A 66 5.741 -4.858 6.492 1.00 4.48 N ATOM 1047 CA THR A 66 4.265 -4.883 6.714 1.00 3.80 C ATOM 1048 C THR A 66 3.732 -3.479 6.573 1.00 4.60 C ATOM 1049 O THR A 66 3.952 -2.593 7.430 1.00 5.33 O ATOM 1050 CB THR A 66 3.944 -5.317 8.085 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.428 -6.649 8.339 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.399 -5.393 8.261 1.00 3.40 C ATOM 0 H THR A 66 6.218 -4.458 7.300 1.00 4.48 H new ATOM 0 HA THR A 66 3.826 -5.570 5.990 1.00 3.80 H new ATOM 0 HB THR A 66 4.407 -4.599 8.762 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.202 -6.910 9.256 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.164 -5.714 9.276 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.964 -4.410 8.081 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.986 -6.108 7.549 1.00 3.40 H new ATOM 1060 N LEU A 67 3.013 -3.251 5.466 1.00 4.17 N ATOM 1061 CA LEU A 67 2.307 -2.035 5.184 1.00 3.85 C ATOM 1062 C LEU A 67 0.851 -2.315 5.578 1.00 3.80 C ATOM 1063 O LEU A 67 0.406 -3.457 5.634 1.00 5.54 O ATOM 1064 CB LEU A 67 2.379 -1.642 3.707 1.00 7.18 C ATOM 1065 CG LEU A 67 3.761 -1.099 3.189 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.889 -2.096 3.087 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.540 -0.454 1.814 1.00 11.66 C ATOM 0 H LEU A 67 2.916 -3.947 4.727 1.00 4.17 H new ATOM 0 HA LEU A 67 2.747 -1.203 5.734 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.110 -2.513 3.109 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.622 -0.880 3.520 1.00 7.18 H new ATOM 0 HG LEU A 67 4.092 -0.394 3.952 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.784 -1.596 2.718 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.089 -2.520 4.071 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.609 -2.893 2.398 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.487 -0.070 1.436 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.148 -1.199 1.122 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.828 0.366 1.907 1.00 11.66 H new ATOM 1079 N HIS A 68 0.130 -1.286 5.947 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.174 -1.461 6.477 1.00 4.17 C ATOM 1081 C HIS A 68 -2.191 -0.834 5.553 1.00 5.32 C ATOM 1082 O HIS A 68 -2.016 0.275 5.054 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.257 -0.666 7.820 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.430 -1.232 8.916 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.957 -1.345 8.881 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.785 -1.551 10.193 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.334 -1.706 10.129 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.300 -1.766 10.963 1.00 16.30 N ATOM 0 H HIS A 68 0.439 -0.316 5.884 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.370 -2.526 6.605 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.946 0.363 7.640 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.297 -0.632 8.145 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.804 -1.622 10.543 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.353 -1.920 10.414 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.323 -1.938 11.968 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.239 -1.655 5.284 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.304 -1.200 4.397 1.00 3.97 C ATOM 1098 C LEU A 69 -5.508 -0.835 5.253 1.00 5.07 C ATOM 1099 O LEU A 69 -5.993 -1.603 5.982 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.778 -2.342 3.453 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.928 -2.002 2.543 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.659 -0.771 1.685 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.168 -3.137 1.647 1.00 9.96 C ATOM 0 H LEU A 69 -3.355 -2.596 5.659 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.924 -0.363 3.812 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.933 -2.655 2.839 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.063 -3.199 4.064 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.790 -1.788 3.175 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.523 -0.575 1.050 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.479 0.090 2.329 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.782 -0.947 1.061 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.999 -2.905 0.981 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.273 -3.330 1.056 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.411 -4.021 2.237 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.125 0.337 5.056 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.417 0.755 5.525 1.00 6.26 C ATOM 1117 C VAL A 70 -8.247 0.971 4.309 1.00 9.22 C ATOM 1118 O VAL A 70 -7.727 1.496 3.321 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.418 1.971 6.563 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.833 2.223 6.943 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.488 1.635 7.753 1.00 8.54 C ATOM 0 H VAL A 70 -5.675 1.073 4.511 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.849 -0.025 6.152 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.019 2.891 6.136 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.878 3.049 7.653 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.409 2.478 6.053 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.252 1.327 7.402 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.489 2.464 8.461 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.845 0.733 8.250 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.474 1.471 7.387 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.547 0.509 4.318 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.515 0.656 3.306 1.00 16.06 C ATOM 1133 C LEU A 71 -11.139 2.062 3.428 1.00 18.09 C ATOM 1134 O LEU A 71 -11.344 2.492 4.569 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.631 -0.421 3.460 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.630 -0.559 2.241 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.934 -1.372 1.128 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.896 -1.304 2.649 1.00 19.57 C ATOM 0 H LEU A 71 -9.915 -0.006 5.118 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.044 0.530 2.331 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.156 -1.388 3.627 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.210 -0.192 4.355 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.901 0.440 1.899 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.609 -1.477 0.278 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.029 -0.854 0.811 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.672 -2.359 1.508 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.564 -1.384 1.791 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.634 -2.303 2.999 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.397 -0.759 3.449 1.00 19.57 H new