USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 557 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 64 SER OG : rot 51:sc= -0.143 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.0408 USER MOD Set 2.1: A 49 GLN : amide:sc= -1.05! C(o=-3.5!,f=-4.6!) USER MOD Set 2.2: A 57 ASN : amide:sc= -2.49 K(o=-3.5,f=-2.4) USER MOD Set 3.1: A 45 HIS : no HE2:sc= 0.575 K(o=-0.57,f=-4.4!) USER MOD Set 3.2: A 201 HEM CMD :methyl 150:sc= -1.15 (180deg=-0.966) USER MOD Set 4.1: A 30 TYR OH : rot 15:sc= 0.652 USER MOD Set 4.2: A 71 SER OG : rot -86:sc= 1.63 USER MOD Set 5.1: A 15 HIS : no HD1:sc= 0.539 K(o=1.6,f=-6.2!) USER MOD Set 5.2: A 20 SER OG : rot 100:sc= 1.02 USER MOD Single : A 5 LYS NZ :NH3+ 171:sc= 1.4 (180deg=0.928) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 22:sc= 0.955 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 13 GLN : amide:sc= 0.46 K(o=0.46,f=-0.17) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= 2.43 (180deg=2.11) USER MOD Single : A 16 ASN : amide:sc= -0.335 K(o=-0.34,f=-1.9) USER MOD Single : A 17 ASN : amide:sc= 1.1 K(o=1.1,f=-8.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -130:sc= -0.246 USER MOD Single : A 26 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.0023) USER MOD Single : A 27 TYR OH : rot -37:sc= 1.27 USER MOD Single : A 28 LYS NZ :NH3+ -142:sc= 1.09 (180deg=0.399) USER MOD Single : A 33 THR OG1 : rot 98:sc= 1.7 USER MOD Single : A 34 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.293) USER MOD Single : A 55 THR OG1 : rot 40:sc= 1.21 USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 0.891 (180deg=-2.14!) USER MOD Single : A 73 THR OG1 : rot -39:sc= 0.751 USER MOD Single : A 80 HIS : no HD1:sc= -2.39 K(o=-2.4,f=-6.7!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.107 (180deg=-0.462) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -2.79 (180deg=-2.79) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.0204 (180deg=-0.0793) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 4.716 0.885 -18.205 1.00 0.00 N ATOM 2 CA ALA A 3 3.497 1.077 -17.386 1.00 0.00 C ATOM 3 C ALA A 3 3.624 0.328 -16.053 1.00 0.00 C ATOM 4 O ALA A 3 4.712 -0.150 -15.748 1.00 0.00 O ATOM 5 CB ALA A 3 3.234 2.570 -17.161 1.00 0.00 C ATOM 0 HA ALA A 3 2.644 0.663 -17.924 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.335 2.694 -16.558 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.083 3.015 -16.643 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.097 3.064 -18.123 1.00 0.00 H new ATOM 13 N VAL A 4 2.541 0.212 -15.278 1.00 0.00 N ATOM 14 CA VAL A 4 2.554 -0.531 -14.016 1.00 0.00 C ATOM 15 C VAL A 4 2.854 -2.022 -14.248 1.00 0.00 C ATOM 16 O VAL A 4 2.194 -2.668 -15.058 1.00 0.00 O ATOM 17 CB VAL A 4 1.232 -0.322 -13.248 1.00 0.00 C ATOM 18 CG1 VAL A 4 1.032 1.160 -12.906 1.00 0.00 C ATOM 19 CG2 VAL A 4 -0.011 -0.837 -13.988 1.00 0.00 C ATOM 0 H VAL A 4 1.638 0.627 -15.506 1.00 0.00 H new ATOM 0 HA VAL A 4 3.361 -0.138 -13.397 1.00 0.00 H new ATOM 0 HB VAL A 4 1.332 -0.916 -12.340 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.094 1.285 -12.365 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.858 1.505 -12.284 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.001 1.745 -13.825 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.898 -0.653 -13.382 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.108 -0.317 -14.941 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.090 -1.907 -14.167 1.00 0.00 H new ATOM 29 N LYS A 5 3.846 -2.582 -13.545 1.00 0.00 N ATOM 30 CA LYS A 5 4.218 -3.988 -13.720 1.00 0.00 C ATOM 31 C LYS A 5 3.356 -4.978 -12.945 1.00 0.00 C ATOM 32 O LYS A 5 3.638 -6.173 -13.019 1.00 0.00 O ATOM 33 CB LYS A 5 5.705 -4.215 -13.410 1.00 0.00 C ATOM 34 CG LYS A 5 6.061 -4.097 -11.916 1.00 0.00 C ATOM 35 CD LYS A 5 7.220 -5.039 -11.545 1.00 0.00 C ATOM 36 CE LYS A 5 6.794 -6.388 -10.933 1.00 0.00 C ATOM 37 NZ LYS A 5 5.728 -7.087 -11.685 1.00 0.00 N ATOM 0 H LYS A 5 4.403 -2.083 -12.852 1.00 0.00 H new ATOM 0 HA LYS A 5 4.029 -4.194 -14.773 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.992 -5.205 -13.764 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.297 -3.492 -13.972 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.337 -3.068 -11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.186 -4.336 -11.311 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.810 -5.234 -12.440 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.872 -4.527 -10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.667 -7.038 -10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.452 -6.219 -9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.605 -8.046 -11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.836 -6.560 -11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.993 -7.146 -12.689 1.00 0.00 H new ATOM 47 N TYR A 6 2.383 -4.494 -12.166 1.00 0.00 N ATOM 48 CA TYR A 6 1.561 -5.305 -11.271 1.00 0.00 C ATOM 49 C TYR A 6 2.376 -6.017 -10.197 1.00 0.00 C ATOM 50 O TYR A 6 3.567 -6.301 -10.358 1.00 0.00 O ATOM 51 CB TYR A 6 0.744 -6.325 -12.064 1.00 0.00 C ATOM 52 CG TYR A 6 -0.016 -5.747 -13.247 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.188 -5.002 -13.042 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.523 -5.847 -14.546 1.00 0.00 C ATOM 55 CE1 TYR A 6 -1.793 -4.323 -14.113 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.079 -5.161 -15.615 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.223 -4.382 -15.393 1.00 0.00 C ATOM 58 OH TYR A 6 -1.783 -3.683 -16.417 1.00 0.00 O ATOM 0 H TYR A 6 2.142 -3.503 -12.142 1.00 0.00 H new ATOM 0 HA TYR A 6 0.890 -4.614 -10.762 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.414 -7.105 -12.426 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.032 -6.803 -11.391 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.627 -4.951 -12.056 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.400 -6.452 -14.720 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.697 -3.755 -13.950 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.340 -5.234 -16.608 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.266 -3.832 -17.236 1.00 0.00 H new ATOM 67 N TYR A 7 1.712 -6.320 -9.087 1.00 0.00 N ATOM 68 CA TYR A 7 2.290 -7.131 -8.038 1.00 0.00 C ATOM 69 C TYR A 7 1.202 -8.058 -7.525 1.00 0.00 C ATOM 70 O TYR A 7 0.189 -7.602 -7.010 1.00 0.00 O ATOM 71 CB TYR A 7 2.877 -6.245 -6.942 1.00 0.00 C ATOM 72 CG TYR A 7 3.742 -5.117 -7.443 1.00 0.00 C ATOM 73 CD1 TYR A 7 3.144 -3.943 -7.931 1.00 0.00 C ATOM 74 CD2 TYR A 7 5.121 -5.315 -7.598 1.00 0.00 C ATOM 75 CE1 TYR A 7 3.918 -3.027 -8.655 1.00 0.00 C ATOM 76 CE2 TYR A 7 5.919 -4.281 -8.106 1.00 0.00 C ATOM 77 CZ TYR A 7 5.315 -3.128 -8.636 1.00 0.00 C ATOM 78 OH TYR A 7 6.053 -2.154 -9.234 1.00 0.00 O ATOM 0 H TYR A 7 0.760 -6.008 -8.895 1.00 0.00 H new ATOM 0 HA TYR A 7 3.119 -7.732 -8.412 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.060 -5.826 -6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.467 -6.866 -6.268 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.097 -3.749 -7.750 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.567 -6.261 -7.327 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.439 -2.245 -9.226 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.995 -4.370 -8.090 1.00 0.00 H new ATOM 0 HH TYR A 7 5.519 -1.335 -9.302 1.00 0.00 H new ATOM 87 N THR A 8 1.390 -9.360 -7.708 1.00 0.00 N ATOM 88 CA THR A 8 0.460 -10.347 -7.183 1.00 0.00 C ATOM 89 C THR A 8 0.474 -10.230 -5.666 1.00 0.00 C ATOM 90 O THR A 8 1.524 -9.999 -5.068 1.00 0.00 O ATOM 91 CB THR A 8 0.893 -11.746 -7.635 1.00 0.00 C ATOM 92 OG1 THR A 8 2.299 -11.864 -7.527 1.00 0.00 O ATOM 93 CG2 THR A 8 0.517 -11.973 -9.099 1.00 0.00 C ATOM 0 H THR A 8 2.180 -9.755 -8.217 1.00 0.00 H new ATOM 0 HA THR A 8 -0.551 -10.176 -7.553 1.00 0.00 H new ATOM 0 HB THR A 8 0.392 -12.479 -7.003 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.575 -12.759 -7.814 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.831 -12.971 -9.405 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.563 -11.881 -9.216 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.014 -11.229 -9.722 1.00 0.00 H new ATOM 101 N LEU A 9 -0.679 -10.396 -5.037 1.00 0.00 N ATOM 102 CA LEU A 9 -0.860 -10.359 -3.596 1.00 0.00 C ATOM 103 C LEU A 9 0.114 -11.272 -2.859 1.00 0.00 C ATOM 104 O LEU A 9 0.424 -11.004 -1.710 1.00 0.00 O ATOM 105 CB LEU A 9 -2.272 -10.805 -3.327 1.00 0.00 C ATOM 106 CG LEU A 9 -2.830 -10.567 -1.915 1.00 0.00 C ATOM 107 CD1 LEU A 9 -3.064 -9.080 -1.627 1.00 0.00 C ATOM 108 CD2 LEU A 9 -4.163 -11.312 -1.792 1.00 0.00 C ATOM 0 H LEU A 9 -1.550 -10.567 -5.539 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.668 -9.349 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.926 -10.300 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.335 -11.872 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.099 -10.932 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.458 -8.963 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.121 -8.540 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.779 -8.678 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.576 -11.156 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.862 -10.933 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.001 -12.378 -1.955 1.00 0.00 H new ATOM 119 N GLU A 10 0.591 -12.349 -3.493 1.00 0.00 N ATOM 120 CA GLU A 10 1.737 -13.096 -2.964 1.00 0.00 C ATOM 121 C GLU A 10 2.854 -12.099 -2.612 1.00 0.00 C ATOM 122 O GLU A 10 3.309 -12.017 -1.472 1.00 0.00 O ATOM 123 CB GLU A 10 2.256 -14.146 -3.973 1.00 0.00 C ATOM 124 CG GLU A 10 3.762 -14.385 -3.710 1.00 0.00 C ATOM 125 CD GLU A 10 4.401 -15.644 -4.263 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.684 -16.475 -4.854 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.636 -15.722 -4.054 1.00 0.00 O ATOM 0 H GLU A 10 0.207 -12.719 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 10 1.419 -13.639 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.701 -15.078 -3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.101 -13.797 -4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.308 -13.532 -4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.915 -14.382 -2.631 1.00 0.00 H new ATOM 132 N GLU A 11 3.280 -11.334 -3.618 1.00 0.00 N ATOM 133 CA GLU A 11 4.324 -10.336 -3.505 1.00 0.00 C ATOM 134 C GLU A 11 3.923 -9.332 -2.455 1.00 0.00 C ATOM 135 O GLU A 11 4.618 -9.165 -1.461 1.00 0.00 O ATOM 136 CB GLU A 11 4.654 -9.691 -4.872 1.00 0.00 C ATOM 137 CG GLU A 11 6.159 -9.402 -4.998 1.00 0.00 C ATOM 138 CD GLU A 11 6.990 -10.643 -5.310 1.00 0.00 C ATOM 139 OE1 GLU A 11 7.131 -11.497 -4.406 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.472 -10.728 -6.459 1.00 0.00 O ATOM 0 H GLU A 11 2.891 -11.400 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 11 5.253 -10.809 -3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.339 -10.356 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.092 -8.764 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.315 -8.662 -5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.516 -8.959 -4.068 1.00 0.00 H new ATOM 145 N ILE A 12 2.740 -8.746 -2.605 1.00 0.00 N ATOM 146 CA ILE A 12 2.253 -7.792 -1.619 1.00 0.00 C ATOM 147 C ILE A 12 2.329 -8.343 -0.191 1.00 0.00 C ATOM 148 O ILE A 12 2.842 -7.676 0.709 1.00 0.00 O ATOM 149 CB ILE A 12 0.858 -7.265 -1.985 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.662 -6.979 -3.487 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.592 -5.965 -1.227 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.780 -6.588 -3.805 1.00 0.00 C ATOM 0 H ILE A 12 2.109 -8.912 -3.389 1.00 0.00 H new ATOM 0 HA ILE A 12 2.924 -6.933 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 12 0.163 -8.058 -1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.333 -6.177 -3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.935 -7.862 -4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.398 -5.589 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.640 -6.153 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.344 -5.224 -1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.877 -6.394 -4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.448 -7.401 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.045 -5.689 -3.248 1.00 0.00 H new ATOM 163 N GLN A 13 1.941 -9.602 0.009 1.00 0.00 N ATOM 164 CA GLN A 13 2.034 -10.215 1.333 1.00 0.00 C ATOM 165 C GLN A 13 3.458 -10.315 1.879 1.00 0.00 C ATOM 166 O GLN A 13 3.651 -10.420 3.090 1.00 0.00 O ATOM 167 CB GLN A 13 1.439 -11.617 1.309 1.00 0.00 C ATOM 168 CG GLN A 13 -0.088 -11.595 1.489 1.00 0.00 C ATOM 169 CD GLN A 13 -0.542 -11.059 2.844 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.603 -11.794 3.821 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.888 -9.781 2.934 1.00 0.00 N ATOM 0 H GLN A 13 1.564 -10.210 -0.718 1.00 0.00 H new ATOM 0 HA GLN A 13 1.475 -9.552 1.993 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.686 -12.100 0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.889 -12.216 2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.528 -10.984 0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.474 -12.606 1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.833 -9.179 2.113 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.209 -9.401 3.824 1.00 0.00 H new ATOM 178 N LYS A 14 4.452 -10.328 0.997 1.00 0.00 N ATOM 179 CA LYS A 14 5.844 -10.466 1.377 1.00 0.00 C ATOM 180 C LYS A 14 6.460 -9.092 1.732 1.00 0.00 C ATOM 181 O LYS A 14 7.601 -9.033 2.191 1.00 0.00 O ATOM 182 CB LYS A 14 6.578 -11.195 0.235 1.00 0.00 C ATOM 183 CG LYS A 14 6.201 -12.690 0.202 1.00 0.00 C ATOM 184 CD LYS A 14 6.180 -13.299 -1.211 1.00 0.00 C ATOM 185 CE LYS A 14 7.539 -13.493 -1.886 1.00 0.00 C ATOM 186 NZ LYS A 14 7.352 -13.839 -3.315 1.00 0.00 N ATOM 0 H LYS A 14 4.308 -10.242 -0.009 1.00 0.00 H new ATOM 0 HA LYS A 14 5.944 -11.063 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.326 -10.731 -0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.655 -11.091 0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.909 -13.246 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.218 -12.816 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.683 -14.268 -1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.569 -12.661 -1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.131 -12.582 -1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.095 -14.284 -1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.227 -14.261 -3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.572 -14.521 -3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.126 -12.979 -3.854 1.00 0.00 H new ATOM 196 N HIS A 15 5.709 -7.992 1.552 1.00 0.00 N ATOM 197 CA HIS A 15 6.118 -6.626 1.891 1.00 0.00 C ATOM 198 C HIS A 15 5.179 -5.964 2.912 1.00 0.00 C ATOM 199 O HIS A 15 4.300 -5.175 2.567 1.00 0.00 O ATOM 200 CB HIS A 15 6.162 -5.776 0.629 1.00 0.00 C ATOM 201 CG HIS A 15 7.147 -6.248 -0.404 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.480 -5.917 -0.502 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.825 -6.998 -1.496 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.946 -6.471 -1.633 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.980 -7.151 -2.269 1.00 0.00 N ATOM 0 H HIS A 15 4.771 -8.035 1.153 1.00 0.00 H new ATOM 0 HA HIS A 15 7.106 -6.692 2.346 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.167 -5.758 0.183 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.407 -4.750 0.905 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.850 -7.403 -1.724 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.963 -6.381 -1.984 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.070 -7.674 -3.140 1.00 0.00 H new ATOM 212 N ASN A 16 5.408 -6.245 4.191 1.00 0.00 N ATOM 213 CA ASN A 16 4.639 -5.670 5.300 1.00 0.00 C ATOM 214 C ASN A 16 5.419 -5.448 6.603 1.00 0.00 C ATOM 215 O ASN A 16 4.887 -4.816 7.513 1.00 0.00 O ATOM 216 CB ASN A 16 3.393 -6.528 5.546 1.00 0.00 C ATOM 217 CG ASN A 16 3.702 -8.019 5.546 1.00 0.00 C ATOM 218 OD1 ASN A 16 4.802 -8.446 5.883 1.00 0.00 O ATOM 219 ND2 ASN A 16 2.754 -8.822 5.091 1.00 0.00 N ATOM 0 H ASN A 16 6.141 -6.886 4.495 1.00 0.00 H new ATOM 0 HA ASN A 16 4.365 -4.663 4.984 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.949 -6.252 6.503 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.651 -6.314 4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.928 -9.824 5.013 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.849 -8.439 4.818 1.00 0.00 H new ATOM 225 N ASN A 17 6.652 -5.952 6.739 1.00 0.00 N ATOM 226 CA ASN A 17 7.323 -5.958 8.033 1.00 0.00 C ATOM 227 C ASN A 17 8.850 -5.978 7.896 1.00 0.00 C ATOM 228 O ASN A 17 9.421 -7.011 7.561 1.00 0.00 O ATOM 229 CB ASN A 17 6.824 -7.177 8.822 1.00 0.00 C ATOM 230 CG ASN A 17 7.400 -7.198 10.228 1.00 0.00 C ATOM 231 OD1 ASN A 17 7.604 -6.150 10.833 1.00 0.00 O ATOM 232 ND2 ASN A 17 7.678 -8.373 10.770 1.00 0.00 N ATOM 0 H ASN A 17 7.195 -6.355 5.975 1.00 0.00 H new ATOM 0 HA ASN A 17 7.082 -5.037 8.564 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.735 -7.159 8.873 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.104 -8.091 8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.071 -8.421 11.710 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.500 -9.231 10.247 1.00 0.00 H new ATOM 238 N SER A 18 9.510 -4.849 8.182 1.00 0.00 N ATOM 239 CA SER A 18 10.973 -4.758 8.261 1.00 0.00 C ATOM 240 C SER A 18 11.660 -5.324 7.006 1.00 0.00 C ATOM 241 O SER A 18 12.618 -6.089 7.088 1.00 0.00 O ATOM 242 CB SER A 18 11.449 -5.435 9.555 1.00 0.00 C ATOM 243 OG SER A 18 10.789 -4.860 10.675 1.00 0.00 O ATOM 0 H SER A 18 9.038 -3.964 8.367 1.00 0.00 H new ATOM 0 HA SER A 18 11.263 -3.708 8.294 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.245 -6.505 9.512 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.528 -5.320 9.660 1.00 0.00 H new ATOM 0 HG SER A 18 11.096 -5.298 11.496 1.00 0.00 H new ATOM 248 N LYS A 19 11.131 -4.938 5.843 1.00 0.00 N ATOM 249 CA LYS A 19 11.450 -5.489 4.527 1.00 0.00 C ATOM 250 C LYS A 19 11.160 -4.417 3.480 1.00 0.00 C ATOM 251 O LYS A 19 12.038 -3.874 2.813 1.00 0.00 O ATOM 252 CB LYS A 19 10.542 -6.717 4.318 1.00 0.00 C ATOM 253 CG LYS A 19 10.516 -7.293 2.895 1.00 0.00 C ATOM 254 CD LYS A 19 11.916 -7.556 2.327 1.00 0.00 C ATOM 255 CE LYS A 19 11.788 -8.195 0.939 1.00 0.00 C ATOM 256 NZ LYS A 19 13.111 -8.422 0.321 1.00 0.00 N ATOM 0 H LYS A 19 10.434 -4.195 5.793 1.00 0.00 H new ATOM 0 HA LYS A 19 12.496 -5.785 4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.862 -7.503 5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.524 -6.445 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.950 -8.225 2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.988 -6.601 2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.475 -6.623 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.473 -8.214 2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.257 -9.143 1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.190 -7.550 0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.987 -8.855 -0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.607 -7.514 0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.672 -9.057 0.924 1.00 0.00 H new ATOM 266 N SER A 20 9.866 -4.152 3.357 1.00 0.00 N ATOM 267 CA SER A 20 9.229 -3.048 2.650 1.00 0.00 C ATOM 268 C SER A 20 7.775 -3.047 3.131 1.00 0.00 C ATOM 269 O SER A 20 7.297 -4.103 3.546 1.00 0.00 O ATOM 270 CB SER A 20 9.330 -3.152 1.114 1.00 0.00 C ATOM 271 OG SER A 20 10.277 -4.127 0.705 1.00 0.00 O ATOM 0 H SER A 20 9.171 -4.761 3.790 1.00 0.00 H new ATOM 0 HA SER A 20 9.738 -2.110 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.352 -3.403 0.703 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.609 -2.182 0.703 1.00 0.00 H new ATOM 0 HG SER A 20 9.810 -4.951 0.454 1.00 0.00 H new ATOM 276 N THR A 21 7.092 -1.905 3.128 1.00 0.00 N ATOM 277 CA THR A 21 5.754 -1.784 3.710 1.00 0.00 C ATOM 278 C THR A 21 4.748 -1.403 2.634 1.00 0.00 C ATOM 279 O THR A 21 4.525 -0.221 2.370 1.00 0.00 O ATOM 280 CB THR A 21 5.764 -0.799 4.885 1.00 0.00 C ATOM 281 OG1 THR A 21 6.796 -1.204 5.763 1.00 0.00 O ATOM 282 CG2 THR A 21 4.461 -0.873 5.675 1.00 0.00 C ATOM 0 H THR A 21 7.447 -1.039 2.724 1.00 0.00 H new ATOM 0 HA THR A 21 5.445 -2.749 4.113 1.00 0.00 H new ATOM 0 HB THR A 21 5.899 0.212 4.500 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.446 -1.255 6.677 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.496 -0.164 6.502 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.625 -0.627 5.021 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.330 -1.882 6.067 1.00 0.00 H new ATOM 290 N TRP A 22 4.164 -2.424 2.003 1.00 0.00 N ATOM 291 CA TRP A 22 3.190 -2.258 0.941 1.00 0.00 C ATOM 292 C TRP A 22 1.785 -2.216 1.451 1.00 0.00 C ATOM 293 O TRP A 22 1.507 -2.482 2.607 1.00 0.00 O ATOM 294 CB TRP A 22 3.346 -3.346 -0.135 1.00 0.00 C ATOM 295 CG TRP A 22 4.586 -3.359 -0.970 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.713 -2.653 -0.765 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.836 -4.151 -2.163 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.627 -2.930 -1.761 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.142 -3.866 -2.652 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.074 -5.074 -2.897 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.636 -4.470 -3.821 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.629 -5.815 -3.941 1.00 0.00 C ATOM 303 CH2 TRP A 22 5.900 -5.496 -4.427 1.00 0.00 C ATOM 0 H TRP A 22 4.362 -3.400 2.224 1.00 0.00 H new ATOM 0 HA TRP A 22 3.394 -1.289 0.485 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.272 -4.314 0.361 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.494 -3.267 -0.810 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.878 -1.971 0.056 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.548 -2.496 -1.830 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.033 -5.214 -2.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.574 -4.146 -4.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.076 -6.636 -4.374 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.312 -6.038 -5.265 1.00 0.00 H new ATOM 313 N LEU A 23 0.899 -1.819 0.557 1.00 0.00 N ATOM 314 CA LEU A 23 -0.511 -1.797 0.821 1.00 0.00 C ATOM 315 C LEU A 23 -1.288 -1.733 -0.488 1.00 0.00 C ATOM 316 O LEU A 23 -0.673 -1.518 -1.529 1.00 0.00 O ATOM 317 CB LEU A 23 -0.884 -0.662 1.783 1.00 0.00 C ATOM 318 CG LEU A 23 0.017 0.470 2.296 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.795 1.772 2.146 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.279 0.357 3.808 1.00 0.00 C ATOM 0 H LEU A 23 1.149 -1.501 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.789 -2.723 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.734 -0.162 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.257 -1.158 2.679 1.00 0.00 H new ATOM 0 HG LEU A 23 0.958 0.436 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.200 2.615 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.052 1.922 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.708 1.701 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.921 1.178 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.668 0.405 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.770 -0.592 4.022 1.00 0.00 H new ATOM 331 N ILE A 24 -2.617 -1.902 -0.441 1.00 0.00 N ATOM 332 CA ILE A 24 -3.481 -1.642 -1.594 1.00 0.00 C ATOM 333 C ILE A 24 -4.516 -0.569 -1.258 1.00 0.00 C ATOM 334 O ILE A 24 -5.368 -0.791 -0.394 1.00 0.00 O ATOM 335 CB ILE A 24 -4.206 -2.902 -2.098 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.266 -4.047 -2.491 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.093 -2.564 -3.302 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.893 -5.441 -2.350 1.00 0.00 C ATOM 0 H ILE A 24 -3.116 -2.220 0.390 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.825 -1.296 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.804 -3.247 -1.254 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.948 -3.905 -3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.370 -3.998 -1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.599 -3.466 -3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.835 -1.821 -3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.477 -2.164 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.167 -6.198 -2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.186 -5.605 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.772 -5.511 -2.990 1.00 0.00 H new ATOM 349 N LEU A 25 -4.483 0.557 -1.978 1.00 0.00 N ATOM 350 CA LEU A 25 -5.535 1.569 -1.923 1.00 0.00 C ATOM 351 C LEU A 25 -6.204 1.590 -3.309 1.00 0.00 C ATOM 352 O LEU A 25 -5.568 1.935 -4.303 1.00 0.00 O ATOM 353 CB LEU A 25 -5.029 2.947 -1.438 1.00 0.00 C ATOM 354 CG LEU A 25 -3.924 2.927 -0.372 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.520 4.362 -0.033 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.386 2.267 0.923 1.00 0.00 C ATOM 0 H LEU A 25 -3.722 0.790 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.277 1.312 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.661 3.500 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.878 3.503 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.092 2.357 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.736 4.350 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.151 4.858 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.385 4.903 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.571 2.276 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.237 2.815 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.681 1.237 0.721 1.00 0.00 H new ATOM 367 N HIS A 26 -7.459 1.147 -3.415 1.00 0.00 N ATOM 368 CA HIS A 26 -8.237 1.162 -4.657 1.00 0.00 C ATOM 369 C HIS A 26 -7.602 0.293 -5.766 1.00 0.00 C ATOM 370 O HIS A 26 -7.387 0.759 -6.884 1.00 0.00 O ATOM 371 CB HIS A 26 -8.447 2.620 -5.112 1.00 0.00 C ATOM 372 CG HIS A 26 -8.801 3.579 -4.000 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.064 3.823 -3.513 1.00 0.00 N ATOM 374 CD2 HIS A 26 -7.923 4.354 -3.283 1.00 0.00 C ATOM 375 CE1 HIS A 26 -9.948 4.731 -2.529 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.665 5.086 -2.352 1.00 0.00 N ATOM 0 H HIS A 26 -7.974 0.760 -2.624 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.209 0.712 -4.457 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.537 2.969 -5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.239 2.643 -5.860 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.852 4.391 -3.415 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.776 5.123 -1.957 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.304 5.756 -1.673 1.00 0.00 H new ATOM 383 N TYR A 27 -7.234 -0.954 -5.443 1.00 0.00 N ATOM 384 CA TYR A 27 -6.462 -1.875 -6.293 1.00 0.00 C ATOM 385 C TYR A 27 -5.023 -1.448 -6.588 1.00 0.00 C ATOM 386 O TYR A 27 -4.234 -2.281 -7.039 1.00 0.00 O ATOM 387 CB TYR A 27 -7.157 -2.205 -7.620 1.00 0.00 C ATOM 388 CG TYR A 27 -8.579 -2.749 -7.531 1.00 0.00 C ATOM 389 CD1 TYR A 27 -8.902 -3.708 -6.545 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.461 -2.565 -8.613 1.00 0.00 C ATOM 391 CE1 TYR A 27 -9.991 -4.577 -6.726 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.586 -3.400 -8.761 1.00 0.00 C ATOM 393 CZ TYR A 27 -10.812 -4.448 -7.853 1.00 0.00 C ATOM 394 OH TYR A 27 -11.694 -5.436 -8.168 1.00 0.00 O ATOM 0 H TYR A 27 -7.476 -1.368 -4.543 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.414 -2.768 -5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.176 -1.301 -8.228 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.546 -2.934 -8.152 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.308 -3.774 -5.646 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.274 -1.781 -9.332 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.195 -5.345 -5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.277 -3.234 -9.575 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.293 -6.308 -7.969 1.00 0.00 H new ATOM 403 N LYS A 28 -4.661 -0.185 -6.358 1.00 0.00 N ATOM 404 CA LYS A 28 -3.315 0.283 -6.620 1.00 0.00 C ATOM 405 C LYS A 28 -2.415 -0.151 -5.468 1.00 0.00 C ATOM 406 O LYS A 28 -2.839 -0.042 -4.321 1.00 0.00 O ATOM 407 CB LYS A 28 -3.316 1.786 -6.858 1.00 0.00 C ATOM 408 CG LYS A 28 -4.102 2.114 -8.132 1.00 0.00 C ATOM 409 CD LYS A 28 -3.260 2.063 -9.412 1.00 0.00 C ATOM 410 CE LYS A 28 -4.192 2.249 -10.619 1.00 0.00 C ATOM 411 NZ LYS A 28 -3.493 2.085 -11.911 1.00 0.00 N ATOM 0 H LYS A 28 -5.290 0.528 -5.989 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.918 -0.162 -7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.761 2.297 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.292 2.149 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.931 1.413 -8.226 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.536 3.109 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.500 2.845 -9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.736 1.110 -9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.007 1.528 -10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.640 3.242 -10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.864 2.774 -12.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.474 2.244 -11.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.649 1.122 -12.270 1.00 0.00 H new ATOM 421 N VAL A 29 -1.221 -0.678 -5.758 1.00 0.00 N ATOM 422 CA VAL A 29 -0.274 -1.115 -4.737 1.00 0.00 C ATOM 423 C VAL A 29 0.689 0.019 -4.401 1.00 0.00 C ATOM 424 O VAL A 29 1.143 0.753 -5.283 1.00 0.00 O ATOM 425 CB VAL A 29 0.506 -2.368 -5.154 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.587 -2.734 -4.131 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.415 -3.573 -5.117 1.00 0.00 C ATOM 0 H VAL A 29 -0.887 -0.812 -6.712 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.852 -1.381 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 29 0.924 -2.148 -6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.116 -3.627 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.292 -1.909 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.122 -2.927 -3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.139 -4.464 -5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.801 -3.705 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.246 -3.417 -5.805 1.00 0.00 H new ATOM 437 N TYR A 30 1.002 0.114 -3.114 1.00 0.00 N ATOM 438 CA TYR A 30 1.757 1.124 -2.429 1.00 0.00 C ATOM 439 C TYR A 30 3.040 0.515 -1.847 1.00 0.00 C ATOM 440 O TYR A 30 3.056 -0.684 -1.599 1.00 0.00 O ATOM 441 CB TYR A 30 0.741 1.600 -1.384 1.00 0.00 C ATOM 442 CG TYR A 30 -0.289 2.533 -1.972 1.00 0.00 C ATOM 443 CD1 TYR A 30 -0.026 3.906 -2.041 1.00 0.00 C ATOM 444 CD2 TYR A 30 -1.406 2.010 -2.636 1.00 0.00 C ATOM 445 CE1 TYR A 30 -0.916 4.761 -2.703 1.00 0.00 C ATOM 446 CE2 TYR A 30 -2.268 2.860 -3.348 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.049 4.244 -3.348 1.00 0.00 C ATOM 448 OH TYR A 30 -2.920 5.066 -3.999 1.00 0.00 O ATOM 0 H TYR A 30 0.690 -0.605 -2.462 1.00 0.00 H new ATOM 0 HA TYR A 30 2.126 1.949 -3.038 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.239 0.736 -0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.266 2.106 -0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.866 4.307 -1.582 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.605 0.949 -2.600 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.729 5.825 -2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.101 2.446 -3.897 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.504 5.943 -4.132 1.00 0.00 H new ATOM 457 N ASP A 31 4.104 1.314 -1.676 1.00 0.00 N ATOM 458 CA ASP A 31 5.294 0.963 -0.871 1.00 0.00 C ATOM 459 C ASP A 31 5.749 2.207 -0.098 1.00 0.00 C ATOM 460 O ASP A 31 6.232 3.168 -0.697 1.00 0.00 O ATOM 461 CB ASP A 31 6.472 0.427 -1.698 1.00 0.00 C ATOM 462 CG ASP A 31 7.641 -0.064 -0.825 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.802 0.423 0.320 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.343 -0.983 -1.302 1.00 0.00 O ATOM 0 H ASP A 31 4.167 2.240 -2.099 1.00 0.00 H new ATOM 0 HA ASP A 31 4.995 0.155 -0.203 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.125 -0.393 -2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.828 1.212 -2.365 1.00 0.00 H new ATOM 468 N LEU A 32 5.592 2.189 1.227 1.00 0.00 N ATOM 469 CA LEU A 32 5.669 3.401 2.039 1.00 0.00 C ATOM 470 C LEU A 32 6.711 3.360 3.154 1.00 0.00 C ATOM 471 O LEU A 32 6.669 4.185 4.064 1.00 0.00 O ATOM 472 CB LEU A 32 4.262 3.636 2.596 1.00 0.00 C ATOM 473 CG LEU A 32 3.202 3.370 1.522 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.829 3.639 2.072 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.300 4.298 0.325 1.00 0.00 C ATOM 0 H LEU A 32 5.409 1.340 1.762 1.00 0.00 H new ATOM 0 HA LEU A 32 6.007 4.224 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.091 2.983 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.174 4.662 2.954 1.00 0.00 H new ATOM 0 HG LEU A 32 3.370 2.335 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.084 3.447 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.645 2.986 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.762 4.679 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.518 4.050 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.177 5.330 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.276 4.182 -0.147 1.00 0.00 H new ATOM 486 N THR A 33 7.662 2.432 3.058 1.00 0.00 N ATOM 487 CA THR A 33 8.677 2.086 4.059 1.00 0.00 C ATOM 488 C THR A 33 9.411 3.265 4.725 1.00 0.00 C ATOM 489 O THR A 33 9.871 3.122 5.853 1.00 0.00 O ATOM 490 CB THR A 33 9.659 1.110 3.387 1.00 0.00 C ATOM 491 OG1 THR A 33 8.942 0.124 2.662 1.00 0.00 O ATOM 492 CG2 THR A 33 10.523 0.371 4.410 1.00 0.00 C ATOM 0 H THR A 33 7.752 1.859 2.219 1.00 0.00 H new ATOM 0 HA THR A 33 8.157 1.634 4.904 1.00 0.00 H new ATOM 0 HB THR A 33 10.295 1.708 2.734 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.913 0.372 1.714 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.201 -0.307 3.892 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.102 1.093 4.986 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.883 -0.200 5.082 1.00 0.00 H new ATOM 500 N LYS A 34 9.512 4.422 4.065 1.00 0.00 N ATOM 501 CA LYS A 34 10.039 5.660 4.660 1.00 0.00 C ATOM 502 C LYS A 34 8.965 6.615 5.142 1.00 0.00 C ATOM 503 O LYS A 34 9.144 7.316 6.129 1.00 0.00 O ATOM 504 CB LYS A 34 10.883 6.399 3.619 1.00 0.00 C ATOM 505 CG LYS A 34 12.197 5.648 3.556 1.00 0.00 C ATOM 506 CD LYS A 34 13.175 6.276 2.556 1.00 0.00 C ATOM 507 CE LYS A 34 14.622 6.153 3.052 1.00 0.00 C ATOM 508 NZ LYS A 34 14.943 4.778 3.489 1.00 0.00 N ATOM 0 H LYS A 34 9.228 4.530 3.091 1.00 0.00 H new ATOM 0 HA LYS A 34 10.622 5.353 5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.389 6.407 2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.039 7.439 3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.652 5.632 4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.008 4.612 3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.076 5.786 1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.925 7.327 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.305 6.449 2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.781 6.843 3.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.975 4.652 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.557 4.617 4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.523 4.096 2.826 1.00 0.00 H new ATOM 518 N PHE A 35 7.832 6.627 4.450 1.00 0.00 N ATOM 519 CA PHE A 35 6.717 7.477 4.864 1.00 0.00 C ATOM 520 C PHE A 35 6.327 7.167 6.312 1.00 0.00 C ATOM 521 O PHE A 35 5.972 8.054 7.081 1.00 0.00 O ATOM 522 CB PHE A 35 5.533 7.341 3.915 1.00 0.00 C ATOM 523 CG PHE A 35 4.363 8.223 4.295 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.569 9.594 4.546 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.065 7.688 4.358 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.476 10.445 4.754 1.00 0.00 C ATOM 527 CE2 PHE A 35 1.974 8.537 4.599 1.00 0.00 C ATOM 528 CZ PHE A 35 2.176 9.922 4.744 1.00 0.00 C ATOM 0 H PHE A 35 7.660 6.069 3.614 1.00 0.00 H new ATOM 0 HA PHE A 35 7.038 8.518 4.817 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.855 7.590 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.206 6.301 3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.573 9.990 4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.908 6.628 4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.635 11.500 4.921 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.978 8.127 4.673 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.328 10.583 4.848 1.00 0.00 H new ATOM 537 N LEU A 36 6.469 5.891 6.676 1.00 0.00 N ATOM 538 CA LEU A 36 6.462 5.367 8.038 1.00 0.00 C ATOM 539 C LEU A 36 7.043 6.360 9.064 1.00 0.00 C ATOM 540 O LEU A 36 6.430 6.615 10.095 1.00 0.00 O ATOM 541 CB LEU A 36 7.323 4.095 8.016 1.00 0.00 C ATOM 542 CG LEU A 36 6.813 2.959 7.131 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.412 1.649 7.651 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.294 2.811 7.074 1.00 0.00 C ATOM 0 H LEU A 36 6.600 5.153 5.984 1.00 0.00 H new ATOM 0 HA LEU A 36 5.434 5.176 8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.326 4.364 7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.412 3.722 9.036 1.00 0.00 H new ATOM 0 HG LEU A 36 7.124 3.200 6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.063 0.820 7.035 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.500 1.703 7.605 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.100 1.491 8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.034 1.978 6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.909 2.620 8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.853 3.729 6.685 1.00 0.00 H new ATOM 555 N GLU A 37 8.217 6.924 8.761 1.00 0.00 N ATOM 556 CA GLU A 37 8.970 7.844 9.608 1.00 0.00 C ATOM 557 C GLU A 37 8.257 9.199 9.814 1.00 0.00 C ATOM 558 O GLU A 37 8.488 9.883 10.810 1.00 0.00 O ATOM 559 CB GLU A 37 10.353 8.047 8.956 1.00 0.00 C ATOM 560 CG GLU A 37 11.148 6.735 8.750 1.00 0.00 C ATOM 561 CD GLU A 37 12.464 6.927 7.994 1.00 0.00 C ATOM 562 OE1 GLU A 37 13.277 7.750 8.464 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.655 6.229 6.971 1.00 0.00 O ATOM 0 H GLU A 37 8.687 6.740 7.875 1.00 0.00 H new ATOM 0 HA GLU A 37 9.062 7.411 10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.220 8.535 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.941 8.723 9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.359 6.292 9.723 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.526 6.025 8.205 1.00 0.00 H new ATOM 568 N GLU A 38 7.425 9.604 8.848 1.00 0.00 N ATOM 569 CA GLU A 38 6.816 10.929 8.725 1.00 0.00 C ATOM 570 C GLU A 38 5.322 10.957 9.100 1.00 0.00 C ATOM 571 O GLU A 38 4.844 11.859 9.785 1.00 0.00 O ATOM 572 CB GLU A 38 6.941 11.380 7.258 1.00 0.00 C ATOM 573 CG GLU A 38 8.326 11.144 6.641 1.00 0.00 C ATOM 574 CD GLU A 38 8.416 11.700 5.225 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.791 11.081 4.336 1.00 0.00 O ATOM 576 OE2 GLU A 38 9.090 12.739 5.061 1.00 0.00 O ATOM 0 H GLU A 38 7.145 8.981 8.091 1.00 0.00 H new ATOM 0 HA GLU A 38 7.340 11.588 9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.196 10.852 6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.704 12.442 7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.087 11.613 7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.540 10.075 6.626 1.00 0.00 H new ATOM 581 N HIS A 39 4.576 9.998 8.551 1.00 0.00 N ATOM 582 CA HIS A 39 3.118 9.927 8.517 1.00 0.00 C ATOM 583 C HIS A 39 2.362 10.273 9.814 1.00 0.00 C ATOM 584 O HIS A 39 2.379 9.485 10.764 1.00 0.00 O ATOM 585 CB HIS A 39 2.722 8.517 8.075 1.00 0.00 C ATOM 586 CG HIS A 39 1.233 8.254 8.073 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.633 7.199 8.711 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.265 8.915 7.358 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.658 7.199 8.338 1.00 0.00 C ATOM 590 NE2 HIS A 39 -0.941 8.220 7.500 1.00 0.00 N ATOM 0 H HIS A 39 5.005 9.197 8.087 1.00 0.00 H new ATOM 0 HA HIS A 39 2.817 10.710 7.821 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.110 8.342 7.071 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.205 7.795 8.734 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.081 6.540 9.347 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.410 9.818 6.784 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.383 6.470 8.669 1.00 0.00 H new ATOM 597 N PRO A 40 1.586 11.376 9.841 1.00 0.00 N ATOM 598 CA PRO A 40 0.636 11.605 10.915 1.00 0.00 C ATOM 599 C PRO A 40 -0.436 10.516 10.769 1.00 0.00 C ATOM 600 O PRO A 40 -1.087 10.409 9.736 1.00 0.00 O ATOM 601 CB PRO A 40 0.097 13.018 10.700 1.00 0.00 C ATOM 602 CG PRO A 40 0.209 13.203 9.187 1.00 0.00 C ATOM 603 CD PRO A 40 1.433 12.380 8.798 1.00 0.00 C ATOM 0 HA PRO A 40 1.046 11.545 11.923 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.933 13.113 11.043 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.683 13.760 11.242 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.687 12.851 8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.335 14.253 8.923 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.296 11.913 7.823 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.320 13.009 8.728 1.00 0.00 H new ATOM 608 N GLY A 41 -0.559 9.665 11.786 1.00 0.00 N ATOM 609 CA GLY A 41 -1.295 8.401 11.711 1.00 0.00 C ATOM 610 C GLY A 41 -0.403 7.273 12.243 1.00 0.00 C ATOM 611 O GLY A 41 -0.895 6.336 12.866 1.00 0.00 O ATOM 0 H GLY A 41 -0.143 9.836 12.702 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.212 8.464 12.297 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.588 8.196 10.681 1.00 0.00 H new ATOM 615 N GLY A 42 0.915 7.389 12.027 1.00 0.00 N ATOM 616 CA GLY A 42 1.933 6.543 12.627 1.00 0.00 C ATOM 617 C GLY A 42 2.533 5.583 11.606 1.00 0.00 C ATOM 618 O GLY A 42 1.964 5.355 10.534 1.00 0.00 O ATOM 0 H GLY A 42 1.305 8.100 11.408 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.721 7.165 13.051 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.498 5.976 13.450 1.00 0.00 H new ATOM 622 N GLU A 43 3.669 4.995 11.971 1.00 0.00 N ATOM 623 CA GLU A 43 4.303 3.924 11.234 1.00 0.00 C ATOM 624 C GLU A 43 3.542 2.636 11.450 1.00 0.00 C ATOM 625 O GLU A 43 3.138 1.942 10.515 1.00 0.00 O ATOM 626 CB GLU A 43 5.736 3.632 11.734 1.00 0.00 C ATOM 627 CG GLU A 43 6.113 3.917 13.206 1.00 0.00 C ATOM 628 CD GLU A 43 6.238 5.383 13.598 1.00 0.00 C ATOM 629 OE1 GLU A 43 5.177 5.936 13.966 1.00 0.00 O ATOM 630 OE2 GLU A 43 7.377 5.891 13.572 1.00 0.00 O ATOM 0 H GLU A 43 4.182 5.263 12.811 1.00 0.00 H new ATOM 0 HA GLU A 43 4.319 4.245 10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.936 2.577 11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.421 4.203 11.107 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.363 3.454 13.847 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.062 3.424 13.418 1.00 0.00 H new ATOM 635 N GLU A 44 3.377 2.305 12.729 1.00 0.00 N ATOM 636 CA GLU A 44 2.971 0.976 13.087 1.00 0.00 C ATOM 637 C GLU A 44 1.559 0.709 12.579 1.00 0.00 C ATOM 638 O GLU A 44 1.215 -0.417 12.261 1.00 0.00 O ATOM 639 CB GLU A 44 3.053 0.721 14.600 1.00 0.00 C ATOM 640 CG GLU A 44 4.470 0.731 15.205 1.00 0.00 C ATOM 641 CD GLU A 44 5.361 -0.425 14.765 1.00 0.00 C ATOM 642 OE1 GLU A 44 4.875 -1.323 14.045 1.00 0.00 O ATOM 643 OE2 GLU A 44 6.548 -0.438 15.148 1.00 0.00 O ATOM 0 H GLU A 44 3.519 2.939 13.515 1.00 0.00 H new ATOM 0 HA GLU A 44 3.668 0.285 12.612 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.455 1.477 15.110 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.594 -0.245 14.812 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.957 1.669 14.938 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.386 0.713 16.292 1.00 0.00 H new ATOM 648 N HIS A 45 0.746 1.759 12.466 1.00 0.00 N ATOM 649 CA HIS A 45 -0.587 1.690 11.897 1.00 0.00 C ATOM 650 C HIS A 45 -0.581 1.521 10.370 1.00 0.00 C ATOM 651 O HIS A 45 -1.488 0.915 9.806 1.00 0.00 O ATOM 652 CB HIS A 45 -1.337 2.942 12.327 1.00 0.00 C ATOM 653 CG HIS A 45 -2.822 2.898 12.056 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.569 1.843 11.554 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.690 3.909 12.356 1.00 0.00 C ATOM 656 CE1 HIS A 45 -4.853 2.237 11.549 1.00 0.00 C ATOM 657 NE2 HIS A 45 -4.978 3.489 12.018 1.00 0.00 N ATOM 0 H HIS A 45 1.006 2.696 12.775 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.091 0.799 12.271 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.178 3.099 13.394 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.910 3.803 11.812 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.211 0.939 11.247 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.426 4.866 12.781 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.678 1.626 11.212 1.00 0.00 H new ATOM 664 N LEU A 46 0.455 2.009 9.683 1.00 0.00 N ATOM 665 CA LEU A 46 0.628 1.665 8.277 1.00 0.00 C ATOM 666 C LEU A 46 1.049 0.199 8.181 1.00 0.00 C ATOM 667 O LEU A 46 0.579 -0.518 7.309 1.00 0.00 O ATOM 668 CB LEU A 46 1.654 2.582 7.594 1.00 0.00 C ATOM 669 CG LEU A 46 1.171 4.029 7.414 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.337 4.900 6.937 1.00 0.00 C ATOM 671 CD2 LEU A 46 0.051 4.125 6.377 1.00 0.00 C ATOM 0 H LEU A 46 1.168 2.628 10.069 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.317 1.810 7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.572 2.586 8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.903 2.168 6.617 1.00 0.00 H new ATOM 0 HG LEU A 46 0.792 4.372 8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.995 5.927 6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.137 4.873 7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.709 4.520 5.986 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.264 5.164 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.413 3.762 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.795 3.518 6.698 1.00 0.00 H new ATOM 682 N ARG A 47 1.894 -0.258 9.107 1.00 0.00 N ATOM 683 CA ARG A 47 2.426 -1.622 9.121 1.00 0.00 C ATOM 684 C ARG A 47 1.327 -2.645 9.426 1.00 0.00 C ATOM 685 O ARG A 47 1.207 -3.681 8.783 1.00 0.00 O ATOM 686 CB ARG A 47 3.535 -1.638 10.169 1.00 0.00 C ATOM 687 CG ARG A 47 4.431 -2.888 10.204 1.00 0.00 C ATOM 688 CD ARG A 47 5.172 -2.817 11.544 1.00 0.00 C ATOM 689 NE ARG A 47 6.334 -3.720 11.665 1.00 0.00 N ATOM 690 CZ ARG A 47 7.267 -3.590 12.619 1.00 0.00 C ATOM 691 NH1 ARG A 47 7.115 -2.716 13.602 1.00 0.00 N ATOM 692 NH2 ARG A 47 8.365 -4.331 12.589 1.00 0.00 N ATOM 0 H ARG A 47 2.233 0.317 9.879 1.00 0.00 H new ATOM 0 HA ARG A 47 2.820 -1.904 8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.171 -0.768 10.006 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.077 -1.519 11.151 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.838 -3.799 10.130 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.130 -2.894 9.368 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.510 -1.793 11.701 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.468 -3.047 12.344 1.00 0.00 H new ATOM 0 HE ARG A 47 6.432 -4.479 10.991 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.280 -2.131 13.640 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.833 -2.628 14.321 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.505 -5.006 11.837 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.071 -4.227 13.318 1.00 0.00 H new ATOM 703 N GLU A 48 0.512 -2.291 10.410 1.00 0.00 N ATOM 704 CA GLU A 48 -0.746 -2.930 10.792 1.00 0.00 C ATOM 705 C GLU A 48 -1.641 -3.218 9.577 1.00 0.00 C ATOM 706 O GLU A 48 -2.119 -4.336 9.400 1.00 0.00 O ATOM 707 CB GLU A 48 -1.415 -1.974 11.784 1.00 0.00 C ATOM 708 CG GLU A 48 -2.800 -2.392 12.310 1.00 0.00 C ATOM 709 CD GLU A 48 -3.977 -1.908 11.465 1.00 0.00 C ATOM 710 OE1 GLU A 48 -3.889 -0.803 10.878 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.980 -2.645 11.418 1.00 0.00 O ATOM 0 H GLU A 48 0.726 -1.492 11.007 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.569 -3.906 11.244 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.749 -1.847 12.638 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.511 -0.999 11.307 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.837 -3.480 12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.918 -2.012 13.325 1.00 0.00 H new ATOM 716 N GLN A 49 -1.828 -2.214 8.714 1.00 0.00 N ATOM 717 CA GLN A 49 -2.572 -2.375 7.467 1.00 0.00 C ATOM 718 C GLN A 49 -1.777 -3.161 6.419 1.00 0.00 C ATOM 719 O GLN A 49 -2.328 -3.933 5.639 1.00 0.00 O ATOM 720 CB GLN A 49 -2.864 -0.994 6.856 1.00 0.00 C ATOM 721 CG GLN A 49 -4.064 -0.221 7.403 1.00 0.00 C ATOM 722 CD GLN A 49 -5.301 -1.086 7.575 1.00 0.00 C ATOM 723 OE1 GLN A 49 -5.985 -1.411 6.616 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.608 -1.467 8.804 1.00 0.00 N ATOM 0 H GLN A 49 -1.468 -1.271 8.862 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.486 -2.915 7.715 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.977 -0.374 6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.008 -1.124 5.783 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.798 0.218 8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.295 0.604 6.729 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.021 -1.182 9.588 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.432 -2.045 8.968 1.00 0.00 H new ATOM 731 N ALA A 50 -0.482 -2.863 6.354 1.00 0.00 N ATOM 732 CA ALA A 50 0.406 -3.260 5.277 1.00 0.00 C ATOM 733 C ALA A 50 0.371 -4.727 4.842 1.00 0.00 C ATOM 734 O ALA A 50 0.134 -5.656 5.611 1.00 0.00 O ATOM 735 CB ALA A 50 1.848 -2.880 5.614 1.00 0.00 C ATOM 0 H ALA A 50 -0.011 -2.320 7.077 1.00 0.00 H new ATOM 0 HA ALA A 50 0.017 -2.709 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.504 -3.183 4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.917 -1.801 5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.152 -3.384 6.531 1.00 0.00 H new ATOM 741 N GLY A 51 0.689 -4.909 3.562 1.00 0.00 N ATOM 742 CA GLY A 51 0.736 -6.198 2.882 1.00 0.00 C ATOM 743 C GLY A 51 -0.470 -6.413 1.966 1.00 0.00 C ATOM 744 O GLY A 51 -0.606 -7.468 1.345 1.00 0.00 O ATOM 0 H GLY A 51 0.930 -4.131 2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.652 -6.264 2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.774 -6.996 3.623 1.00 0.00 H new ATOM 748 N GLY A 52 -1.326 -5.391 1.871 1.00 0.00 N ATOM 749 CA GLY A 52 -2.405 -5.277 0.911 1.00 0.00 C ATOM 750 C GLY A 52 -3.505 -4.357 1.427 1.00 0.00 C ATOM 751 O GLY A 52 -3.236 -3.507 2.271 1.00 0.00 O ATOM 0 H GLY A 52 -1.275 -4.587 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.017 -4.892 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.819 -6.264 0.706 1.00 0.00 H new ATOM 755 N ASP A 53 -4.694 -4.476 0.825 1.00 0.00 N ATOM 756 CA ASP A 53 -5.955 -3.829 1.160 1.00 0.00 C ATOM 757 C ASP A 53 -5.938 -3.048 2.471 1.00 0.00 C ATOM 758 O ASP A 53 -6.077 -3.571 3.575 1.00 0.00 O ATOM 759 CB ASP A 53 -7.175 -4.738 1.024 1.00 0.00 C ATOM 760 CG ASP A 53 -8.457 -3.897 1.013 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.358 -2.661 1.226 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.515 -4.500 0.749 1.00 0.00 O ATOM 0 H ASP A 53 -4.801 -5.087 0.015 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.067 -3.071 0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.104 -5.320 0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.203 -5.448 1.850 1.00 0.00 H new ATOM 766 N ALA A 54 -5.780 -1.756 2.257 1.00 0.00 N ATOM 767 CA ALA A 54 -5.862 -0.704 3.237 1.00 0.00 C ATOM 768 C ALA A 54 -6.775 0.383 2.676 1.00 0.00 C ATOM 769 O ALA A 54 -6.780 1.523 3.139 1.00 0.00 O ATOM 770 CB ALA A 54 -4.416 -0.292 3.462 1.00 0.00 C ATOM 0 H ALA A 54 -5.577 -1.394 1.325 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.300 -0.974 4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.377 0.510 4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.847 -1.147 3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.987 0.056 2.523 1.00 0.00 H new ATOM 776 N THR A 55 -7.586 -0.006 1.685 1.00 0.00 N ATOM 777 CA THR A 55 -8.508 0.857 0.976 1.00 0.00 C ATOM 778 C THR A 55 -9.603 1.263 1.951 1.00 0.00 C ATOM 779 O THR A 55 -9.853 2.448 2.162 1.00 0.00 O ATOM 780 CB THR A 55 -9.059 0.069 -0.221 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.024 -0.272 -1.118 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.109 0.861 -1.002 1.00 0.00 C ATOM 0 H THR A 55 -7.611 -0.969 1.350 1.00 0.00 H new ATOM 0 HA THR A 55 -8.033 1.763 0.599 1.00 0.00 H new ATOM 0 HB THR A 55 -9.520 -0.827 0.195 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.229 -0.541 -0.613 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.469 0.262 -1.839 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.944 1.105 -0.345 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.664 1.781 -1.380 1.00 0.00 H new ATOM 790 N GLU A 56 -10.198 0.265 2.607 1.00 0.00 N ATOM 791 CA GLU A 56 -11.195 0.498 3.637 1.00 0.00 C ATOM 792 C GLU A 56 -10.669 1.426 4.736 1.00 0.00 C ATOM 793 O GLU A 56 -11.280 2.459 4.995 1.00 0.00 O ATOM 794 CB GLU A 56 -11.706 -0.850 4.160 1.00 0.00 C ATOM 795 CG GLU A 56 -12.889 -0.663 5.122 1.00 0.00 C ATOM 796 CD GLU A 56 -13.519 -1.991 5.521 1.00 0.00 C ATOM 797 OE1 GLU A 56 -12.937 -2.650 6.407 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.564 -2.324 4.921 1.00 0.00 O ATOM 0 H GLU A 56 -9.999 -0.721 2.436 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.046 1.028 3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.012 -1.476 3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.898 -1.374 4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.549 -0.140 6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.643 -0.032 4.651 1.00 0.00 H new ATOM 803 N ASN A 57 -9.506 1.135 5.338 1.00 0.00 N ATOM 804 CA ASN A 57 -9.008 2.008 6.401 1.00 0.00 C ATOM 805 C ASN A 57 -8.720 3.428 5.873 1.00 0.00 C ATOM 806 O ASN A 57 -9.071 4.427 6.501 1.00 0.00 O ATOM 807 CB ASN A 57 -7.791 1.408 7.132 1.00 0.00 C ATOM 808 CG ASN A 57 -7.872 1.735 8.621 1.00 0.00 C ATOM 809 OD1 ASN A 57 -8.137 2.863 9.009 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.632 0.763 9.488 1.00 0.00 N ATOM 0 H ASN A 57 -8.915 0.334 5.116 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.802 2.089 7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.764 0.328 6.988 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.868 1.808 6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.668 0.953 10.490 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.412 -0.175 9.154 1.00 0.00 H new ATOM 816 N PHE A 58 -8.114 3.523 4.683 1.00 0.00 N ATOM 817 CA PHE A 58 -7.789 4.810 4.056 1.00 0.00 C ATOM 818 C PHE A 58 -9.002 5.740 3.855 1.00 0.00 C ATOM 819 O PHE A 58 -8.833 6.958 3.949 1.00 0.00 O ATOM 820 CB PHE A 58 -7.048 4.548 2.744 1.00 0.00 C ATOM 821 CG PHE A 58 -6.529 5.776 2.020 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.343 6.395 2.453 1.00 0.00 C ATOM 823 CD2 PHE A 58 -7.149 6.211 0.833 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.747 7.405 1.676 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.551 7.216 0.052 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.340 7.802 0.464 1.00 0.00 C ATOM 0 H PHE A 58 -7.836 2.713 4.129 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.146 5.356 4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.205 3.888 2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.717 4.010 2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.888 6.094 3.385 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.085 5.772 0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.834 7.876 2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.022 7.538 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.867 8.555 -0.149 1.00 0.00 H new ATOM 835 N GLU A 59 -10.189 5.160 3.626 1.00 0.00 N ATOM 836 CA GLU A 59 -11.501 5.741 3.367 1.00 0.00 C ATOM 837 C GLU A 59 -12.348 5.889 4.646 1.00 0.00 C ATOM 838 O GLU A 59 -13.117 6.840 4.756 1.00 0.00 O ATOM 839 CB GLU A 59 -12.199 4.935 2.264 1.00 0.00 C ATOM 840 CG GLU A 59 -11.431 5.032 0.927 1.00 0.00 C ATOM 841 CD GLU A 59 -11.327 6.442 0.353 1.00 0.00 C ATOM 842 OE1 GLU A 59 -10.389 7.187 0.713 1.00 0.00 O ATOM 843 OE2 GLU A 59 -12.143 6.782 -0.528 1.00 0.00 O ATOM 0 H GLU A 59 -10.251 4.142 3.619 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.372 6.763 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.276 3.891 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.216 5.304 2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.425 4.638 1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.922 4.391 0.194 1.00 0.00 H new ATOM 848 N ASP A 60 -12.186 4.991 5.626 1.00 0.00 N ATOM 849 CA ASP A 60 -12.739 5.148 6.970 1.00 0.00 C ATOM 850 C ASP A 60 -12.119 6.394 7.624 1.00 0.00 C ATOM 851 O ASP A 60 -12.826 7.318 8.023 1.00 0.00 O ATOM 852 CB ASP A 60 -12.478 3.864 7.766 1.00 0.00 C ATOM 853 CG ASP A 60 -13.058 3.959 9.165 1.00 0.00 C ATOM 854 OD1 ASP A 60 -14.250 3.616 9.311 1.00 0.00 O ATOM 855 OD2 ASP A 60 -12.299 4.387 10.059 1.00 0.00 O ATOM 0 H ASP A 60 -11.660 4.126 5.503 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.818 5.301 6.942 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.917 3.014 7.244 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.405 3.682 7.826 1.00 0.00 H new ATOM 859 N VAL A 61 -10.781 6.455 7.651 1.00 0.00 N ATOM 860 CA VAL A 61 -10.065 7.687 7.980 1.00 0.00 C ATOM 861 C VAL A 61 -10.423 8.742 6.920 1.00 0.00 C ATOM 862 O VAL A 61 -10.722 9.892 7.232 1.00 0.00 O ATOM 863 CB VAL A 61 -8.548 7.425 8.021 1.00 0.00 C ATOM 864 CG1 VAL A 61 -7.773 8.727 8.260 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.195 6.431 9.135 1.00 0.00 C ATOM 0 H VAL A 61 -10.174 5.661 7.448 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.357 8.050 8.966 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.266 7.006 7.055 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.704 8.515 8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.985 9.430 7.454 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.078 9.163 9.211 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.118 6.262 9.144 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.507 6.837 10.097 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.709 5.487 8.956 1.00 0.00 H new ATOM 875 N GLY A 62 -10.399 8.316 5.654 1.00 0.00 N ATOM 876 CA GLY A 62 -10.897 9.045 4.500 1.00 0.00 C ATOM 877 C GLY A 62 -10.042 10.254 4.149 1.00 0.00 C ATOM 878 O GLY A 62 -10.400 11.415 4.325 1.00 0.00 O ATOM 0 H GLY A 62 -10.011 7.407 5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.937 8.374 3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.918 9.373 4.697 1.00 0.00 H new ATOM 882 N HIS A 63 -8.871 9.911 3.614 1.00 0.00 N ATOM 883 CA HIS A 63 -7.761 10.804 3.346 1.00 0.00 C ATOM 884 CB HIS A 63 -6.587 9.940 2.909 1.00 0.00 C ATOM 885 CG HIS A 63 -5.927 9.280 4.081 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.450 8.275 4.859 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.689 9.586 4.561 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.519 7.963 5.778 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.418 8.728 5.625 1.00 0.00 N ATOM 0 H HIS A 63 -8.667 8.949 3.344 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.934 9.180 2.209 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.859 10.554 2.378 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.370 7.847 4.758 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.034 10.357 4.184 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.637 7.203 6.536 1.00 0.00 H new ATOM 896 N SER A 64 -7.522 13.093 2.614 1.00 0.00 N ATOM 897 CA SER A 64 -7.696 14.334 1.867 1.00 0.00 C ATOM 898 C SER A 64 -7.028 14.335 0.481 1.00 0.00 C ATOM 899 O SER A 64 -6.345 13.390 0.080 1.00 0.00 O ATOM 900 CB SER A 64 -7.160 15.467 2.749 1.00 0.00 C ATOM 901 OG SER A 64 -7.372 16.736 2.167 1.00 0.00 O ATOM 0 HA SER A 64 -8.756 14.464 1.648 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.647 15.429 3.723 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.094 15.320 2.920 1.00 0.00 H new ATOM 0 HG SER A 64 -8.312 16.822 1.902 1.00 0.00 H new ATOM 906 N THR A 65 -7.219 15.431 -0.258 1.00 0.00 N ATOM 907 CA THR A 65 -6.696 15.610 -1.612 1.00 0.00 C ATOM 908 C THR A 65 -5.178 15.491 -1.636 1.00 0.00 C ATOM 909 O THR A 65 -4.649 14.626 -2.326 1.00 0.00 O ATOM 910 CB THR A 65 -7.108 16.968 -2.186 1.00 0.00 C ATOM 911 OG1 THR A 65 -6.743 17.987 -1.276 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.616 17.046 -2.425 1.00 0.00 C ATOM 0 H THR A 65 -7.752 16.234 0.076 1.00 0.00 H new ATOM 0 HA THR A 65 -7.122 14.819 -2.229 1.00 0.00 H new ATOM 0 HB THR A 65 -6.599 17.096 -3.141 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.003 18.859 -1.640 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.870 18.025 -2.833 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.913 16.271 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.142 16.898 -1.482 1.00 0.00 H new ATOM 920 N ASP A 66 -4.497 16.329 -0.850 1.00 0.00 N ATOM 921 CA ASP A 66 -3.069 16.248 -0.550 1.00 0.00 C ATOM 922 C ASP A 66 -2.577 14.792 -0.523 1.00 0.00 C ATOM 923 O ASP A 66 -1.678 14.402 -1.264 1.00 0.00 O ATOM 924 CB ASP A 66 -2.855 16.938 0.805 1.00 0.00 C ATOM 925 CG ASP A 66 -1.472 16.657 1.375 1.00 0.00 C ATOM 926 OD1 ASP A 66 -0.551 17.420 1.022 1.00 0.00 O ATOM 927 OD2 ASP A 66 -1.370 15.667 2.132 1.00 0.00 O ATOM 0 H ASP A 66 -4.948 17.117 -0.386 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.489 16.744 -1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.988 18.014 0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.614 16.597 1.509 1.00 0.00 H new ATOM 931 N ALA A 67 -3.231 13.971 0.298 1.00 0.00 N ATOM 932 CA ALA A 67 -2.842 12.595 0.539 1.00 0.00 C ATOM 933 C ALA A 67 -3.130 11.699 -0.674 1.00 0.00 C ATOM 934 O ALA A 67 -2.299 10.881 -1.066 1.00 0.00 O ATOM 935 CB ALA A 67 -3.556 12.101 1.797 1.00 0.00 C ATOM 0 H ALA A 67 -4.060 14.255 0.820 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.764 12.546 0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.274 11.066 1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.269 12.722 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.634 12.162 1.651 1.00 0.00 H new ATOM 941 N ARG A 68 -4.299 11.856 -1.293 1.00 0.00 N ATOM 942 CA ARG A 68 -4.661 11.155 -2.525 1.00 0.00 C ATOM 943 C ARG A 68 -3.665 11.450 -3.658 1.00 0.00 C ATOM 944 O ARG A 68 -3.238 10.541 -4.374 1.00 0.00 O ATOM 945 CB ARG A 68 -6.096 11.553 -2.895 1.00 0.00 C ATOM 946 CG ARG A 68 -7.115 10.873 -1.967 1.00 0.00 C ATOM 947 CD ARG A 68 -8.497 11.535 -2.078 1.00 0.00 C ATOM 948 NE ARG A 68 -9.572 10.544 -2.272 1.00 0.00 N ATOM 949 CZ ARG A 68 -10.007 9.613 -1.412 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.589 9.547 -0.158 1.00 0.00 N ATOM 951 NH2 ARG A 68 -10.891 8.723 -1.836 1.00 0.00 N ATOM 0 H ARG A 68 -5.029 12.480 -0.950 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.615 10.077 -2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.205 12.636 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.299 11.275 -3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.194 9.816 -2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.765 10.927 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.695 12.113 -1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.497 12.237 -2.912 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.044 10.571 -3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.908 10.223 0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.948 8.821 0.462 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.226 8.756 -2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.237 8.005 -1.200 1.00 0.00 H new ATOM 962 N GLU A 69 -3.251 12.711 -3.778 1.00 0.00 N ATOM 963 CA GLU A 69 -2.231 13.163 -4.713 1.00 0.00 C ATOM 964 C GLU A 69 -0.870 12.549 -4.363 1.00 0.00 C ATOM 965 O GLU A 69 -0.234 11.910 -5.202 1.00 0.00 O ATOM 966 CB GLU A 69 -2.215 14.699 -4.705 1.00 0.00 C ATOM 967 CG GLU A 69 -3.435 15.293 -5.434 1.00 0.00 C ATOM 968 CD GLU A 69 -3.515 14.879 -6.896 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.470 14.896 -7.583 1.00 0.00 O ATOM 970 OE2 GLU A 69 -4.595 14.425 -7.339 1.00 0.00 O ATOM 0 H GLU A 69 -3.630 13.467 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.459 12.829 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.199 15.056 -3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.301 15.054 -5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.345 14.979 -4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.394 16.380 -5.372 1.00 0.00 H new ATOM 975 N LEU A 70 -0.454 12.668 -3.100 1.00 0.00 N ATOM 976 CA LEU A 70 0.743 12.016 -2.571 1.00 0.00 C ATOM 977 C LEU A 70 0.756 10.529 -2.946 1.00 0.00 C ATOM 978 O LEU A 70 1.770 9.988 -3.378 1.00 0.00 O ATOM 979 CB LEU A 70 0.781 12.174 -1.038 1.00 0.00 C ATOM 980 CG LEU A 70 2.143 12.086 -0.321 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.271 11.434 -1.113 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.585 13.479 0.115 1.00 0.00 C ATOM 0 H LEU A 70 -0.948 13.229 -2.406 1.00 0.00 H new ATOM 0 HA LEU A 70 1.624 12.488 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.340 13.140 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.132 11.410 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 70 1.965 11.426 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.180 11.426 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.994 10.410 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.446 11.999 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.548 13.413 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.679 14.122 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.845 13.899 0.796 1.00 0.00 H new ATOM 993 N SER A 71 -0.399 9.863 -2.831 1.00 0.00 N ATOM 994 CA SER A 71 -0.539 8.439 -3.057 1.00 0.00 C ATOM 995 C SER A 71 0.091 8.032 -4.404 1.00 0.00 C ATOM 996 O SER A 71 0.801 7.033 -4.495 1.00 0.00 O ATOM 997 CB SER A 71 -2.021 8.046 -2.892 1.00 0.00 C ATOM 998 OG SER A 71 -2.649 7.839 -4.142 1.00 0.00 O ATOM 0 H SER A 71 -1.274 10.318 -2.572 1.00 0.00 H new ATOM 0 HA SER A 71 0.018 7.872 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.092 7.137 -2.294 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.547 8.829 -2.346 1.00 0.00 H new ATOM 0 HG SER A 71 -2.981 8.694 -4.487 1.00 0.00 H new ATOM 1003 N LYS A 72 -0.056 8.880 -5.427 1.00 0.00 N ATOM 1004 CA LYS A 72 0.512 8.664 -6.759 1.00 0.00 C ATOM 1005 C LYS A 72 2.030 8.447 -6.711 1.00 0.00 C ATOM 1006 O LYS A 72 2.555 7.588 -7.413 1.00 0.00 O ATOM 1007 CB LYS A 72 0.186 9.849 -7.678 1.00 0.00 C ATOM 1008 CG LYS A 72 -1.308 10.177 -7.656 1.00 0.00 C ATOM 1009 CD LYS A 72 -1.608 11.367 -8.575 1.00 0.00 C ATOM 1010 CE LYS A 72 -3.105 11.696 -8.534 1.00 0.00 C ATOM 1011 NZ LYS A 72 -3.378 13.029 -9.109 1.00 0.00 N ATOM 0 H LYS A 72 -0.582 9.750 -5.350 1.00 0.00 H new ATOM 0 HA LYS A 72 0.058 7.757 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.757 10.723 -7.364 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.494 9.617 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.882 9.308 -7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.621 10.408 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.028 12.235 -8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.306 11.134 -9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.661 10.939 -9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.459 11.663 -7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.270 13.398 -8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.601 13.677 -8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.455 12.952 -10.143 1.00 0.00 H new ATOM 1021 N THR A 73 2.723 9.217 -5.866 1.00 0.00 N ATOM 1022 CA THR A 73 4.179 9.103 -5.678 1.00 0.00 C ATOM 1023 C THR A 73 4.617 8.126 -4.573 1.00 0.00 C ATOM 1024 O THR A 73 5.799 8.049 -4.238 1.00 0.00 O ATOM 1025 CB THR A 73 4.827 10.484 -5.515 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.226 10.357 -5.643 1.00 0.00 O ATOM 1027 CG2 THR A 73 4.536 11.186 -4.193 1.00 0.00 C ATOM 0 H THR A 73 2.292 9.940 -5.290 1.00 0.00 H new ATOM 0 HA THR A 73 4.551 8.651 -6.597 1.00 0.00 H new ATOM 0 HB THR A 73 4.385 11.102 -6.297 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.521 9.532 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.039 12.153 -4.176 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.461 11.334 -4.088 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.900 10.574 -3.368 1.00 0.00 H new ATOM 1035 N PHE A 74 3.658 7.389 -4.022 1.00 0.00 N ATOM 1036 CA PHE A 74 3.785 6.336 -3.007 1.00 0.00 C ATOM 1037 C PHE A 74 3.412 4.955 -3.561 1.00 0.00 C ATOM 1038 O PHE A 74 3.800 3.916 -3.020 1.00 0.00 O ATOM 1039 CB PHE A 74 2.865 6.749 -1.870 1.00 0.00 C ATOM 1040 CG PHE A 74 3.428 7.660 -0.802 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.778 8.075 -0.754 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.540 8.070 0.199 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.227 8.874 0.310 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.977 8.900 1.235 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.307 9.330 1.266 1.00 0.00 C ATOM 0 H PHE A 74 2.684 7.521 -4.295 1.00 0.00 H new ATOM 0 HA PHE A 74 4.817 6.238 -2.671 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.995 7.241 -2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.508 5.842 -1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.463 7.778 -1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.511 7.743 0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.272 9.135 0.392 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.290 9.208 2.009 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.629 10.019 2.033 1.00 0.00 H new ATOM 1054 N ILE A 75 2.645 4.947 -4.645 1.00 0.00 N ATOM 1055 CA ILE A 75 2.364 3.769 -5.436 1.00 0.00 C ATOM 1056 C ILE A 75 3.606 3.182 -6.096 1.00 0.00 C ATOM 1057 O ILE A 75 4.557 3.877 -6.447 1.00 0.00 O ATOM 1058 CB ILE A 75 1.353 4.174 -6.529 1.00 0.00 C ATOM 1059 CG1 ILE A 75 -0.024 4.127 -5.877 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.360 3.350 -7.830 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.109 4.549 -6.845 1.00 0.00 C ATOM 0 H ILE A 75 2.191 5.788 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 75 1.970 2.998 -4.774 1.00 0.00 H new ATOM 0 HB ILE A 75 1.644 5.165 -6.877 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.225 3.117 -5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.038 4.781 -5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.603 3.739 -8.511 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.341 3.420 -8.300 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.141 2.307 -7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.078 4.504 -6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.921 5.569 -7.181 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.111 3.879 -7.704 1.00 0.00 H new ATOM 1072 N ILE A 76 3.507 1.879 -6.341 1.00 0.00 N ATOM 1073 CA ILE A 76 4.407 1.098 -7.181 1.00 0.00 C ATOM 1074 C ILE A 76 3.670 0.458 -8.379 1.00 0.00 C ATOM 1075 O ILE A 76 4.310 0.081 -9.363 1.00 0.00 O ATOM 1076 CB ILE A 76 5.125 0.053 -6.328 1.00 0.00 C ATOM 1077 CG1 ILE A 76 4.084 -0.900 -5.734 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.957 0.733 -5.231 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.775 -1.984 -4.907 1.00 0.00 C ATOM 0 H ILE A 76 2.760 1.312 -5.939 1.00 0.00 H new ATOM 0 HA ILE A 76 5.152 1.769 -7.609 1.00 0.00 H new ATOM 0 HB ILE A 76 5.816 -0.520 -6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.386 -0.344 -5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.501 -1.358 -6.533 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.461 -0.026 -4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.700 1.386 -5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.302 1.323 -4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.025 -2.656 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.455 -2.550 -5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.338 -1.520 -4.097 1.00 0.00 H new ATOM 1090 N GLY A 77 2.336 0.310 -8.296 1.00 0.00 N ATOM 1091 CA GLY A 77 1.468 -0.059 -9.413 1.00 0.00 C ATOM 1092 C GLY A 77 0.082 -0.540 -8.966 1.00 0.00 C ATOM 1093 O GLY A 77 -0.646 0.218 -8.335 1.00 0.00 O ATOM 0 H GLY A 77 1.825 0.449 -7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.352 0.800 -10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.949 -0.846 -9.994 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.289 -1.783 -9.293 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.599 -2.393 -9.027 1.00 0.00 C ATOM 1099 C GLU A 78 -1.433 -3.810 -8.458 1.00 0.00 C ATOM 1100 O GLU A 78 -0.410 -4.461 -8.673 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.361 -2.544 -10.340 1.00 0.00 C ATOM 1102 CG GLU A 78 -2.806 -1.201 -10.921 1.00 0.00 C ATOM 1103 CD GLU A 78 -3.563 -1.327 -12.228 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -4.134 -2.413 -12.474 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -3.595 -0.289 -12.922 1.00 0.00 O ATOM 0 H GLU A 78 0.345 -2.422 -9.773 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.126 -1.754 -8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.730 -3.058 -11.065 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.236 -3.173 -10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.437 -0.691 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.929 -0.574 -11.078 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.496 -4.355 -7.866 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.515 -5.706 -7.293 1.00 0.00 C ATOM 1112 C LEU A 79 -2.607 -6.854 -8.277 1.00 0.00 C ATOM 1113 O LEU A 79 -2.940 -7.957 -7.878 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.564 -5.766 -6.172 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.901 -6.467 -6.515 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -5.019 -7.668 -5.591 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.080 -5.536 -6.286 1.00 0.00 C ATOM 0 H LEU A 79 -3.384 -3.864 -7.768 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.524 -5.874 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.121 -6.276 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.784 -4.746 -5.856 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.912 -6.762 -7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.950 -8.195 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.177 -8.340 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.014 -7.331 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.006 -6.054 -6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.105 -5.231 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.976 -4.655 -6.919 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.283 -6.597 -9.544 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.435 -7.530 -10.650 1.00 0.00 C ATOM 1130 C HIS A 80 -3.903 -7.758 -10.970 1.00 0.00 C ATOM 1131 O HIS A 80 -4.783 -7.526 -10.141 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.680 -8.822 -10.338 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.410 -9.792 -11.443 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.901 -11.058 -11.613 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.443 -9.603 -12.383 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.354 -11.548 -12.738 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.442 -10.701 -13.241 1.00 0.00 N ATOM 0 H HIS A 80 -1.894 -5.700 -9.834 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.995 -7.106 -11.553 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.720 -8.544 -9.903 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.239 -9.351 -9.566 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.212 -8.747 -12.452 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.614 -12.499 -13.180 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.131 -10.833 -14.075 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.227 -8.090 -12.215 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.565 -8.523 -12.510 1.00 0.00 C ATOM 1146 C PRO A 81 -5.843 -9.939 -12.053 1.00 0.00 C ATOM 1147 O PRO A 81 -7.012 -10.276 -11.911 1.00 0.00 O ATOM 1148 CB PRO A 81 -5.693 -8.414 -14.011 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.266 -8.575 -14.530 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.448 -7.908 -13.432 1.00 0.00 C ATOM 0 HA PRO A 81 -6.290 -7.908 -11.977 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.350 -9.187 -14.410 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.116 -7.453 -14.304 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.996 -9.623 -14.660 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.126 -8.088 -15.495 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.463 -8.365 -13.341 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.290 -6.851 -13.645 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.816 -10.752 -11.787 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.125 -12.177 -11.523 1.00 0.00 C ATOM 1157 C ASP A 82 -5.325 -12.417 -10.019 1.00 0.00 C ATOM 1158 O ASP A 82 -4.923 -13.438 -9.466 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.113 -13.107 -12.213 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.638 -14.512 -12.478 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.804 -14.623 -12.914 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.830 -15.449 -12.303 1.00 0.00 O ATOM 0 H ASP A 82 -3.832 -10.486 -11.748 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.080 -12.437 -11.980 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.811 -12.659 -13.160 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.219 -13.176 -11.594 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.915 -11.409 -9.369 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.961 -11.279 -7.934 1.00 0.00 C ATOM 1168 C ASP A 83 -7.216 -10.488 -7.485 1.00 0.00 C ATOM 1169 O ASP A 83 -8.029 -10.934 -6.678 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.642 -10.535 -7.676 1.00 0.00 C ATOM 1171 CG ASP A 83 -4.049 -10.946 -6.356 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.817 -10.957 -5.374 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.836 -11.262 -6.365 1.00 0.00 O ATOM 0 H ASP A 83 -6.384 -10.644 -9.854 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.044 -12.213 -7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.936 -10.747 -8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.818 -9.459 -7.682 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.318 -9.300 -8.080 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.327 -8.243 -8.057 1.00 0.00 C ATOM 1179 C ARG A 84 -9.805 -8.621 -8.241 1.00 0.00 C ATOM 1180 O ARG A 84 -10.640 -7.826 -7.741 1.00 0.00 O ATOM 1181 CB ARG A 84 -7.853 -7.377 -9.219 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.643 -6.138 -9.615 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.156 -5.689 -10.995 1.00 0.00 C ATOM 1184 NE ARG A 84 -6.678 -5.693 -11.064 1.00 0.00 N ATOM 1185 CZ ARG A 84 -5.910 -4.729 -11.576 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -6.395 -3.706 -12.261 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -4.604 -4.761 -11.404 1.00 0.00 N ATOM 1188 OXT ARG A 84 -10.086 -9.612 -8.948 1.00 0.00 O ATOM 0 H ARG A 84 -6.558 -9.012 -8.696 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.371 -7.798 -7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.837 -7.055 -8.990 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.793 -8.018 -10.098 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.710 -6.358 -9.640 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.499 -5.344 -8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.561 -6.351 -11.760 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.531 -4.688 -11.209 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.201 -6.510 -10.684 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.400 -3.628 -12.419 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.764 -2.995 -12.631 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.177 -5.524 -10.878 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.020 -4.023 -11.797 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.672 8.597 6.532 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.804 11.185 8.574 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.275 10.997 4.389 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.116 6.156 4.153 1.00 0.00 C HETATM 1204 CHD HEM A 201 -3.933 6.270 8.746 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.489 10.699 6.527 1.00 0.00 N HETATM 1206 C1A HEM A 201 -3.074 11.525 7.441 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.874 12.883 6.997 1.00 0.00 C HETATM 1208 C3A HEM A 201 -2.069 12.838 5.882 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.891 11.446 5.548 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.605 14.040 5.086 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.628 14.099 7.483 1.00 0.00 C HETATM 1212 CBA HEM A 201 -5.035 14.160 6.872 1.00 0.00 C HETATM 1213 CGA HEM A 201 -5.479 15.588 6.570 1.00 0.00 C HETATM 1214 O1A HEM A 201 -5.897 15.826 5.414 1.00 0.00 O HETATM 1215 O2A HEM A 201 -5.382 16.416 7.501 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.783 8.569 4.675 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.265 9.660 4.009 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.752 9.202 2.743 1.00 0.00 C HETATM 1219 C3B HEM A 201 -1.008 7.858 2.690 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.680 7.451 3.893 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.250 10.074 1.626 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.412 6.899 1.691 1.00 0.00 C HETATM 1223 CBB HEM A 201 -1.038 6.618 0.532 1.00 0.00 C HETATM 1224 NC HEM A 201 -2.985 6.593 6.448 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.717 5.796 5.355 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.207 4.475 5.655 1.00 0.00 C HETATM 1227 C3C HEM A 201 -3.543 4.507 6.987 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.516 5.857 7.469 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.401 3.335 4.679 1.00 0.00 C HETATM 1230 CAC HEM A 201 -3.824 3.316 7.861 1.00 0.00 C HETATM 1231 CBC HEM A 201 -5.103 3.018 8.145 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.668 8.709 8.367 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.041 7.624 9.105 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.610 8.128 10.335 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.647 9.505 10.247 1.00 0.00 C HETATM 1236 C4D HEM A 201 -4.017 9.868 9.000 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.132 7.298 11.482 1.00 0.00 C HETATM 1238 CAD HEM A 201 -5.092 10.470 11.329 1.00 0.00 C HETATM 1239 CBD HEM A 201 -6.501 10.280 11.880 1.00 0.00 C HETATM 1240 CGD HEM A 201 -6.772 11.257 13.016 1.00 0.00 C HETATM 1241 O1D HEM A 201 -6.964 12.450 12.700 1.00 0.00 O HETATM 1242 O2D HEM A 201 -6.752 10.796 14.176 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.701 13.784 4.533 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -1.393 14.866 5.765 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -2.386 14.337 4.386 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.521 9.543 1.068 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 0.169 10.991 2.040 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -1.076 10.322 0.959 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.635 3.736 3.693 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.221 2.702 5.017 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.486 2.745 4.623 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -5.000 7.844 12.416 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -4.583 6.358 11.530 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -6.191 7.092 11.329 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.588 5.921 -0.175 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -1.994 7.087 0.301 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -5.336 2.160 8.776 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -5.908 3.634 7.744 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.746 13.699 7.558 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -5.054 13.575 5.953 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -3.076 15.001 7.221 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.701 14.074 8.570 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -6.622 9.257 12.237 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -7.231 10.429 11.084 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -5.015 11.483 10.934 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.390 10.397 12.159 1.00 0.00 H new HETATM 0 HHA HEM A 201 -4.232 11.984 9.161 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.782 11.718 3.754 1.00 0.00 H new HETATM 0 HHC HEM A 201 -1.983 5.401 3.392 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.180 5.517 9.480 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.544 6.424 1.911 1.00 0.00 H new HETATM 0 HAC HEM A 201 -3.009 2.709 8.255 1.00 0.00 H new