USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 842 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 Single : 1 1 GLU N :NH3+ 163:sc= 0.0933 (180deg=0.0394) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot 101:sc= 1.21 USER MOD Single : 1 9 ASN : amide:sc=-0.00162 X(o=-0.0016,f=0) USER MOD Single : 1 10 GLN : amide:sc= -12.6! C(o=-13!,f=-6.6!) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 TYR OH : rot 180:sc= -1.46 USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : 1 27 THR OG1 : rot 61:sc=0.000694 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -2.23 K(o=-2.2,f=-0.25) USER MOD Single : 1 33 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.3) USER MOD Single : 1 40 SER OG : rot 114:sc= 0.579 USER MOD Single : 1 50 LYS NZ :NH3+ -152:sc= -1.43 (180deg=-1.91!) USER MOD Single : 1 53 GLN : amide:sc= -10.9! C(o=-11!,f=-16!) USER MOD Single : 1 58 THR OG1 : rot -110:sc= -1.35 USER MOD Single : 2 1 GLU N :NH3+ -158:sc= 0.877 (180deg=-0.431!) USER MOD Single : 2 3 TYR OH : rot -156:sc= 0.0556 USER MOD Single : 2 7 SER OG : rot 180:sc= 0 USER MOD Single : 2 9 ASN : amide:sc= -0.0381 X(o=-0.038,f=-0.033) USER MOD Single : 2 10 GLN : amide:sc= -11.6! C(o=-12!,f=-8.1!) USER MOD Single : 2 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 23 TYR OH : rot -15:sc= -0.813 USER MOD Single : 2 25 HIS : no HD1:sc= -2.5! K(o=-2.5!,f=-1.2) USER MOD Single : 2 27 THR OG1 : rot 64:sc= 0.0298 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.089) USER MOD Single : 2 33 ASN : amide:sc= -0.0781 K(o=-0.078,f=-1.9!) USER MOD Single : 2 40 SER OG : rot 119:sc= 0.0797 USER MOD Single : 2 50 LYS NZ :NH3+ -155:sc= -4.21! (180deg=-4.9!) USER MOD Single : 2 53 GLN : amide:sc= -12.8! C(o=-13!,f=-20!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.39 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -14.843 -6.641 -4.976 1.00 0.00 N ATOM 2 CA GLU 1 1 -15.717 -7.611 -4.341 1.00 0.00 C ATOM 3 C GLU 1 1 -15.338 -7.783 -2.868 1.00 0.00 C ATOM 4 O GLU 1 1 -14.611 -6.962 -2.310 1.00 0.00 O ATOM 5 CB GLU 1 1 -15.678 -8.951 -5.078 1.00 0.00 C ATOM 6 CG GLU 1 1 -17.035 -9.273 -5.704 1.00 0.00 C ATOM 7 CD GLU 1 1 -16.935 -10.479 -6.641 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -16.574 -11.563 -6.134 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -17.223 -10.289 -7.843 1.00 0.00 O ATOM 0 H1 GLU 1 1 -14.909 -6.739 -6.009 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -15.131 -5.681 -4.700 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -13.862 -6.808 -4.674 1.00 0.00 H new ATOM 0 HA GLU 1 1 -16.740 -7.237 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -14.914 -8.921 -5.854 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -15.397 -9.743 -4.384 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -17.762 -9.478 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -17.399 -8.407 -6.257 1.00 0.00 H new ATOM 16 N GLU 1 2 -15.846 -8.857 -2.281 1.00 0.00 N ATOM 17 CA GLU 1 2 -15.569 -9.148 -0.884 1.00 0.00 C ATOM 18 C GLU 1 2 -14.095 -9.515 -0.701 1.00 0.00 C ATOM 19 O GLU 1 2 -13.771 -10.663 -0.402 1.00 0.00 O ATOM 20 CB GLU 1 2 -16.481 -10.261 -0.366 1.00 0.00 C ATOM 21 CG GLU 1 2 -17.938 -9.799 -0.316 1.00 0.00 C ATOM 22 CD GLU 1 2 -18.734 -10.364 -1.494 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -19.211 -11.512 -1.358 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -18.847 -9.637 -2.504 1.00 0.00 O ATOM 0 H GLU 1 2 -16.448 -9.536 -2.747 1.00 0.00 H new ATOM 0 HA GLU 1 2 -15.775 -8.253 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -16.395 -11.136 -1.011 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -16.158 -10.566 0.629 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -18.393 -10.119 0.621 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -17.979 -8.710 -0.334 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.242 -8.519 -0.888 1.00 0.00 N ATOM 32 CA TYR 1 3 -11.810 -8.723 -0.747 1.00 0.00 C ATOM 33 C TYR 1 3 -11.479 -9.366 0.601 1.00 0.00 C ATOM 34 O TYR 1 3 -11.279 -8.669 1.594 1.00 0.00 O ATOM 35 CB TYR 1 3 -11.178 -7.331 -0.803 1.00 0.00 C ATOM 36 CG TYR 1 3 -10.778 -6.886 -2.211 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -11.621 -7.126 -3.277 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -9.574 -6.244 -2.415 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -11.245 -6.708 -4.602 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -9.197 -5.824 -3.740 1.00 0.00 C ATOM 41 CZ TYR 1 3 -10.051 -6.077 -4.768 1.00 0.00 C ATOM 42 OH TYR 1 3 -9.695 -5.681 -6.020 1.00 0.00 O ATOM 0 H TYR 1 3 -13.515 -7.568 -1.136 1.00 0.00 H new ATOM 0 HA TYR 1 3 -11.437 -9.383 -1.530 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -11.881 -6.607 -0.390 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -10.295 -7.318 -0.164 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -12.564 -7.628 -3.117 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -8.914 -6.056 -1.581 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -11.895 -6.891 -5.445 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -8.258 -5.320 -3.913 1.00 0.00 H new ATOM 0 HH TYR 1 3 -8.819 -5.243 -5.988 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.430 -10.691 0.593 1.00 0.00 N ATOM 53 CA VAL 1 4 -11.126 -11.436 1.801 1.00 0.00 C ATOM 54 C VAL 1 4 -9.685 -11.945 1.733 1.00 0.00 C ATOM 55 O VAL 1 4 -8.924 -11.796 2.687 1.00 0.00 O ATOM 56 CB VAL 1 4 -12.148 -12.558 1.996 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -13.443 -12.020 2.608 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -12.424 -13.283 0.677 1.00 0.00 C ATOM 0 H VAL 1 4 -11.596 -11.267 -0.232 1.00 0.00 H new ATOM 0 HA VAL 1 4 -11.201 -10.791 2.676 1.00 0.00 H new ATOM 0 HB VAL 1 4 -11.724 -13.281 2.693 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -14.152 -12.838 2.736 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -13.228 -11.571 3.578 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -13.873 -11.267 1.947 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -13.154 -14.076 0.843 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -12.818 -12.575 -0.052 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -11.498 -13.716 0.299 1.00 0.00 H new ATOM 68 N GLY 1 5 -9.354 -12.538 0.595 1.00 0.00 N ATOM 69 CA GLY 1 5 -8.018 -13.070 0.389 1.00 0.00 C ATOM 70 C GLY 1 5 -7.001 -11.942 0.198 1.00 0.00 C ATOM 71 O GLY 1 5 -5.820 -12.198 -0.029 1.00 0.00 O ATOM 0 H GLY 1 5 -9.988 -12.662 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -7.731 -13.682 1.244 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -8.013 -13.721 -0.485 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.499 -10.718 0.299 1.00 0.00 N ATOM 76 CA LEU 1 6 -6.649 -9.551 0.141 1.00 0.00 C ATOM 77 C LEU 1 6 -6.889 -8.589 1.306 1.00 0.00 C ATOM 78 O LEU 1 6 -6.380 -7.469 1.306 1.00 0.00 O ATOM 79 CB LEU 1 6 -6.861 -8.915 -1.235 1.00 0.00 C ATOM 80 CG LEU 1 6 -7.416 -9.839 -2.321 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -6.540 -11.082 -2.485 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -8.877 -10.200 -2.041 1.00 0.00 C ATOM 0 H LEU 1 6 -8.479 -10.510 0.488 1.00 0.00 H new ATOM 0 HA LEU 1 6 -5.598 -9.838 0.175 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -7.540 -8.070 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -5.908 -8.514 -1.579 1.00 0.00 H new ATOM 0 HG LEU 1 6 -7.393 -9.302 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -6.957 -11.721 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -5.530 -10.781 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -6.507 -11.631 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -9.247 -10.857 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -8.948 -10.709 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -9.478 -9.291 -2.016 1.00 0.00 H new ATOM 94 N SER 1 7 -7.665 -9.060 2.271 1.00 0.00 N ATOM 95 CA SER 1 7 -7.979 -8.256 3.440 1.00 0.00 C ATOM 96 C SER 1 7 -7.219 -8.784 4.658 1.00 0.00 C ATOM 97 O SER 1 7 -6.352 -9.647 4.527 1.00 0.00 O ATOM 98 CB SER 1 7 -9.484 -8.249 3.715 1.00 0.00 C ATOM 99 OG SER 1 7 -10.113 -7.075 3.208 1.00 0.00 O ATOM 0 H SER 1 7 -8.086 -9.989 2.267 1.00 0.00 H new ATOM 0 HA SER 1 7 -7.668 -7.230 3.243 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -9.940 -9.129 3.262 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -9.657 -8.318 4.789 1.00 0.00 H new ATOM 0 HG SER 1 7 -10.562 -7.284 2.363 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.571 -8.244 5.815 1.00 0.00 N ATOM 106 CA ALA 1 8 -6.933 -8.650 7.056 1.00 0.00 C ATOM 107 C ALA 1 8 -7.070 -10.165 7.222 1.00 0.00 C ATOM 108 O ALA 1 8 -8.020 -10.642 7.841 1.00 0.00 O ATOM 109 CB ALA 1 8 -7.550 -7.877 8.224 1.00 0.00 C ATOM 0 H ALA 1 8 -8.290 -7.528 5.920 1.00 0.00 H new ATOM 0 HA ALA 1 8 -5.869 -8.415 7.036 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -7.072 -8.181 9.155 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -7.401 -6.808 8.072 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -8.618 -8.090 8.278 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.106 -10.879 6.659 1.00 0.00 N ATOM 116 CA ASN 1 9 -6.106 -12.330 6.738 1.00 0.00 C ATOM 117 C ASN 1 9 -5.123 -12.892 5.709 1.00 0.00 C ATOM 118 O ASN 1 9 -4.547 -13.960 5.915 1.00 0.00 O ATOM 119 CB ASN 1 9 -7.493 -12.898 6.426 1.00 0.00 C ATOM 120 CG ASN 1 9 -7.979 -13.808 7.555 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -9.001 -13.575 8.180 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -7.193 -14.856 7.782 1.00 0.00 N ATOM 0 H ASN 1 9 -5.320 -10.480 6.146 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.819 -12.613 7.751 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -8.200 -12.081 6.282 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -7.459 -13.458 5.492 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -7.432 -15.523 8.516 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -6.351 -14.993 7.222 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.961 -12.149 4.625 1.00 0.00 N ATOM 130 CA GLN 1 10 -4.057 -12.560 3.564 1.00 0.00 C ATOM 131 C GLN 1 10 -2.610 -12.526 4.058 1.00 0.00 C ATOM 132 O GLN 1 10 -1.780 -13.320 3.616 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.234 -11.684 2.322 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.353 -12.177 1.173 1.00 0.00 C ATOM 135 CD GLN 1 10 -3.464 -11.251 -0.039 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -3.695 -11.675 -1.159 1.00 0.00 O ATOM 137 NE2 GLN 1 10 -3.287 -9.963 0.245 1.00 0.00 N ATOM 0 H GLN 1 10 -5.440 -11.264 4.458 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.300 -13.584 3.282 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.279 -11.692 2.013 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -3.981 -10.651 2.562 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -2.315 -12.228 1.502 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -3.648 -13.188 0.891 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -3.097 -9.674 1.204 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -3.342 -9.265 -0.497 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.349 -11.597 4.967 1.00 0.00 N ATOM 147 CA CYS 1 11 -1.016 -11.449 5.525 1.00 0.00 C ATOM 148 C CYS 1 11 -0.668 -12.731 6.284 1.00 0.00 C ATOM 149 O CYS 1 11 0.456 -12.890 6.759 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.911 -10.211 6.417 1.00 0.00 C ATOM 151 SG CYS 1 11 0.730 -9.956 7.186 1.00 0.00 S ATOM 0 H CYS 1 11 -3.039 -10.939 5.331 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.296 -11.298 4.720 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -1.159 -9.331 5.824 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.659 -10.285 7.206 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.653 -13.612 6.376 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.465 -14.875 7.070 1.00 0.00 C ATOM 158 C ALA 1 12 -1.436 -16.013 6.048 1.00 0.00 C ATOM 159 O ALA 1 12 -1.655 -17.172 6.400 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.570 -15.054 8.112 1.00 0.00 C ATOM 0 H ALA 1 12 -2.584 -13.476 5.982 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.513 -14.884 7.601 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -2.429 -16.001 8.633 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.529 -14.235 8.831 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.541 -15.053 7.617 1.00 0.00 H new ATOM 166 N VAL 1 13 -1.165 -15.644 4.805 1.00 0.00 N ATOM 167 CA VAL 1 13 -1.105 -16.620 3.731 1.00 0.00 C ATOM 168 C VAL 1 13 -0.318 -17.845 4.204 1.00 0.00 C ATOM 169 O VAL 1 13 0.330 -17.806 5.248 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.514 -15.979 2.474 1.00 0.00 C ATOM 171 CG1 VAL 1 13 -1.612 -15.362 1.605 1.00 0.00 C ATOM 172 CG2 VAL 1 13 0.548 -14.939 2.836 1.00 0.00 C ATOM 0 H VAL 1 13 -0.984 -14.682 4.518 1.00 0.00 H new ATOM 0 HA VAL 1 13 -2.107 -16.959 3.467 1.00 0.00 H new ATOM 0 HB VAL 1 13 -0.029 -16.764 1.894 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 -1.165 -14.913 0.718 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 -2.316 -16.137 1.304 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 -2.138 -14.595 2.174 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 0.952 -14.499 1.924 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 0.098 -14.157 3.448 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 1.352 -15.419 3.394 1.00 0.00 H new ATOM 182 N PRO 1 14 -0.404 -18.932 3.391 1.00 0.00 N ATOM 183 CA PRO 1 14 0.291 -20.166 3.715 1.00 0.00 C ATOM 184 C PRO 1 14 1.791 -20.038 3.442 1.00 0.00 C ATOM 185 O PRO 1 14 2.537 -21.006 3.581 1.00 0.00 O ATOM 186 CB PRO 1 14 -0.378 -21.231 2.862 1.00 0.00 C ATOM 187 CG PRO 1 14 -1.105 -20.483 1.756 1.00 0.00 C ATOM 188 CD PRO 1 14 -1.163 -19.015 2.146 1.00 0.00 C ATOM 0 HA PRO 1 14 0.223 -20.421 4.773 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 0.359 -21.920 2.449 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 -1.074 -21.826 3.454 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 -0.584 -20.605 0.806 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -2.110 -20.882 1.622 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -0.726 -18.382 1.373 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -2.192 -18.683 2.286 1.00 0.00 H new ATOM 196 N ALA 1 15 2.189 -18.833 3.059 1.00 0.00 N ATOM 197 CA ALA 1 15 3.587 -18.565 2.766 1.00 0.00 C ATOM 198 C ALA 1 15 3.885 -18.960 1.318 1.00 0.00 C ATOM 199 O ALA 1 15 4.774 -19.770 1.061 1.00 0.00 O ATOM 200 CB ALA 1 15 4.472 -19.312 3.767 1.00 0.00 C ATOM 0 H ALA 1 15 1.568 -18.032 2.945 1.00 0.00 H new ATOM 0 HA ALA 1 15 3.803 -17.502 2.870 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 5.520 -19.111 3.547 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.242 -18.975 4.778 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 4.284 -20.383 3.690 1.00 0.00 H new ATOM 206 N LYS 1 16 3.124 -18.368 0.409 1.00 0.00 N ATOM 207 CA LYS 1 16 3.294 -18.646 -1.007 1.00 0.00 C ATOM 208 C LYS 1 16 2.126 -18.040 -1.787 1.00 0.00 C ATOM 209 O LYS 1 16 1.584 -18.672 -2.691 1.00 0.00 O ATOM 210 CB LYS 1 16 3.475 -20.149 -1.239 1.00 0.00 C ATOM 211 CG LYS 1 16 2.688 -20.961 -0.210 1.00 0.00 C ATOM 212 CD LYS 1 16 1.880 -22.070 -0.888 1.00 0.00 C ATOM 213 CE LYS 1 16 1.028 -21.508 -2.028 1.00 0.00 C ATOM 214 NZ LYS 1 16 -0.189 -22.329 -2.218 1.00 0.00 N ATOM 0 H LYS 1 16 2.388 -17.696 0.626 1.00 0.00 H new ATOM 0 HA LYS 1 16 4.204 -18.176 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 3.142 -20.408 -2.244 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 4.533 -20.405 -1.178 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 3.374 -21.398 0.516 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 2.017 -20.303 0.342 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 2.556 -22.832 -1.276 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 1.237 -22.557 -0.155 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 0.748 -20.478 -1.807 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 1.609 -21.490 -2.950 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 -0.756 -21.934 -2.995 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 0.084 -23.306 -2.450 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 -0.751 -22.325 -1.343 1.00 0.00 H new ATOM 228 N ASP 1 17 1.773 -16.821 -1.407 1.00 0.00 N ATOM 229 CA ASP 1 17 0.679 -16.121 -2.060 1.00 0.00 C ATOM 230 C ASP 1 17 0.922 -14.613 -1.977 1.00 0.00 C ATOM 231 O ASP 1 17 0.032 -13.820 -2.281 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.654 -16.423 -1.373 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.892 -15.905 -2.108 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -2.033 -16.254 -3.300 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.670 -15.170 -1.461 1.00 0.00 O ATOM 0 H ASP 1 17 2.225 -16.300 -0.655 1.00 0.00 H new ATOM 0 HA ASP 1 17 0.635 -16.455 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.747 -17.502 -1.252 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.636 -15.990 -0.373 1.00 0.00 H new ATOM 240 N ARG 1 18 2.132 -14.263 -1.565 1.00 0.00 N ATOM 241 CA ARG 1 18 2.503 -12.864 -1.440 1.00 0.00 C ATOM 242 C ARG 1 18 3.148 -12.367 -2.736 1.00 0.00 C ATOM 243 O ARG 1 18 3.441 -13.159 -3.631 1.00 0.00 O ATOM 244 CB ARG 1 18 3.480 -12.655 -0.280 1.00 0.00 C ATOM 245 CG ARG 1 18 3.040 -13.442 0.955 1.00 0.00 C ATOM 246 CD ARG 1 18 4.239 -14.093 1.648 1.00 0.00 C ATOM 247 NE ARG 1 18 3.788 -14.857 2.832 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.553 -15.103 3.904 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.811 -14.646 3.947 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.059 -15.805 4.932 1.00 0.00 N ATOM 0 H ARG 1 18 2.867 -14.924 -1.314 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.594 -12.297 -1.242 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.479 -12.971 -0.580 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.540 -11.594 -0.037 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.530 -12.777 1.652 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.323 -14.210 0.665 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.755 -14.755 0.953 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.954 -13.328 1.950 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.835 -15.219 2.832 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.186 -14.111 3.164 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.394 -14.833 4.763 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.101 -16.152 4.899 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.641 -15.992 5.748 1.00 0.00 H new ATOM 264 N VAL 1 19 3.350 -11.060 -2.795 1.00 0.00 N ATOM 265 CA VAL 1 19 3.954 -10.448 -3.966 1.00 0.00 C ATOM 266 C VAL 1 19 5.409 -10.088 -3.655 1.00 0.00 C ATOM 267 O VAL 1 19 6.006 -9.259 -4.340 1.00 0.00 O ATOM 268 CB VAL 1 19 3.124 -9.244 -4.415 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.574 -8.750 -5.792 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.630 -9.577 -4.414 1.00 0.00 C ATOM 0 H VAL 1 19 3.106 -10.407 -2.050 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.963 -11.149 -4.801 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.289 -8.438 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.968 -7.894 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.622 -8.455 -5.748 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.453 -9.550 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.062 -8.704 -4.737 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.441 -10.406 -5.097 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.321 -9.859 -3.407 1.00 0.00 H new ATOM 280 N ASP 1 20 5.936 -10.729 -2.623 1.00 0.00 N ATOM 281 CA ASP 1 20 7.309 -10.488 -2.214 1.00 0.00 C ATOM 282 C ASP 1 20 7.655 -9.016 -2.448 1.00 0.00 C ATOM 283 O ASP 1 20 8.152 -8.654 -3.513 1.00 0.00 O ATOM 284 CB ASP 1 20 8.285 -11.339 -3.028 1.00 0.00 C ATOM 285 CG ASP 1 20 9.688 -10.747 -3.180 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.374 -10.640 -2.140 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.043 -10.415 -4.332 1.00 0.00 O ATOM 0 H ASP 1 20 5.437 -11.415 -2.057 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.397 -10.750 -1.160 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.369 -12.319 -2.557 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.864 -11.498 -4.021 1.00 0.00 H new ATOM 292 N CYS 1 21 7.378 -8.208 -1.435 1.00 0.00 N ATOM 293 CA CYS 1 21 7.653 -6.783 -1.518 1.00 0.00 C ATOM 294 C CYS 1 21 9.100 -6.600 -1.981 1.00 0.00 C ATOM 295 O CYS 1 21 9.398 -5.686 -2.749 1.00 0.00 O ATOM 296 CB CYS 1 21 7.386 -6.077 -0.187 1.00 0.00 C ATOM 297 SG CYS 1 21 6.509 -4.477 -0.329 1.00 0.00 S ATOM 0 H CYS 1 21 6.966 -8.513 -0.553 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.980 -6.321 -2.240 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.801 -6.741 0.449 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.338 -5.910 0.317 1.00 0.00 H new ATOM 302 N GLY 1 22 9.960 -7.483 -1.495 1.00 0.00 N ATOM 303 CA GLY 1 22 11.368 -7.430 -1.850 1.00 0.00 C ATOM 304 C GLY 1 22 11.924 -6.015 -1.677 1.00 0.00 C ATOM 305 O GLY 1 22 12.389 -5.405 -2.638 1.00 0.00 O ATOM 0 H GLY 1 22 9.709 -8.239 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.930 -8.124 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.499 -7.752 -2.883 1.00 0.00 H new ATOM 309 N TYR 1 23 11.858 -5.535 -0.443 1.00 0.00 N ATOM 310 CA TYR 1 23 12.350 -4.204 -0.131 1.00 0.00 C ATOM 311 C TYR 1 23 13.817 -4.248 0.302 1.00 0.00 C ATOM 312 O TYR 1 23 14.250 -5.205 0.942 1.00 0.00 O ATOM 313 CB TYR 1 23 11.499 -3.703 1.038 1.00 0.00 C ATOM 314 CG TYR 1 23 10.537 -2.573 0.668 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.955 -1.260 0.736 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.250 -2.867 0.266 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.049 -0.197 0.387 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.343 -1.804 -0.082 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.788 -0.521 -0.004 1.00 0.00 C ATOM 320 OH TYR 1 23 7.931 0.483 -0.333 1.00 0.00 O ATOM 0 H TYR 1 23 11.471 -6.044 0.352 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.283 -3.556 -1.005 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.925 -4.538 1.440 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.160 -3.358 1.833 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 11.962 -1.030 1.051 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.923 -3.895 0.212 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.364 0.835 0.435 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.333 -2.020 -0.398 1.00 0.00 H new ATOM 0 HH TYR 1 23 7.066 0.103 -0.594 1.00 0.00 H new ATOM 330 N PRO 1 24 14.560 -3.174 -0.073 1.00 0.00 N ATOM 331 CA PRO 1 24 15.969 -3.080 0.271 1.00 0.00 C ATOM 332 C PRO 1 24 16.151 -2.734 1.750 1.00 0.00 C ATOM 333 O PRO 1 24 17.265 -2.778 2.269 1.00 0.00 O ATOM 334 CB PRO 1 24 16.532 -2.020 -0.662 1.00 0.00 C ATOM 335 CG PRO 1 24 15.335 -1.232 -1.167 1.00 0.00 C ATOM 336 CD PRO 1 24 14.081 -2.021 -0.831 1.00 0.00 C ATOM 0 HA PRO 1 24 16.497 -4.025 0.143 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.234 -1.371 -0.138 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.076 -2.476 -1.489 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.302 -0.247 -0.701 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.409 -1.073 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.383 -1.424 -0.244 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.555 -2.331 -1.734 1.00 0.00 H new ATOM 344 N HIS 1 25 15.039 -2.397 2.388 1.00 0.00 N ATOM 345 CA HIS 1 25 15.061 -2.043 3.796 1.00 0.00 C ATOM 346 C HIS 1 25 14.070 -2.922 4.562 1.00 0.00 C ATOM 347 O HIS 1 25 13.600 -2.544 5.634 1.00 0.00 O ATOM 348 CB HIS 1 25 14.797 -0.548 3.986 1.00 0.00 C ATOM 349 CG HIS 1 25 16.047 0.299 4.001 1.00 0.00 C ATOM 350 ND1 HIS 1 25 17.001 0.208 5.000 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.489 1.253 3.133 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.970 1.073 4.733 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.649 1.720 3.576 1.00 0.00 N ATOM 0 H HIS 1 25 14.116 -2.362 1.954 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.053 -2.232 4.206 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.144 -0.200 3.185 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.259 -0.401 4.923 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 15.981 1.574 2.236 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.857 1.236 5.327 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.209 2.444 3.125 1.00 0.00 H new ATOM 362 N VAL 1 26 13.783 -4.078 3.982 1.00 0.00 N ATOM 363 CA VAL 1 26 12.857 -5.014 4.597 1.00 0.00 C ATOM 364 C VAL 1 26 13.222 -5.193 6.071 1.00 0.00 C ATOM 365 O VAL 1 26 14.364 -5.519 6.396 1.00 0.00 O ATOM 366 CB VAL 1 26 12.849 -6.331 3.818 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.272 -6.757 3.449 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.134 -7.429 4.606 1.00 0.00 C ATOM 0 H VAL 1 26 14.175 -4.388 3.093 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.840 -4.624 4.560 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.297 -6.171 2.892 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.239 -7.696 2.896 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.733 -5.987 2.830 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.859 -6.892 4.358 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.142 -8.354 4.030 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.646 -7.588 5.555 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.103 -7.129 4.795 1.00 0.00 H new ATOM 378 N THR 1 27 12.233 -4.974 6.925 1.00 0.00 N ATOM 379 CA THR 1 27 12.437 -5.107 8.357 1.00 0.00 C ATOM 380 C THR 1 27 11.093 -5.115 9.089 1.00 0.00 C ATOM 381 O THR 1 27 10.105 -4.586 8.583 1.00 0.00 O ATOM 382 CB THR 1 27 13.369 -3.980 8.809 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.484 -4.660 9.379 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.789 -3.174 9.973 1.00 0.00 C ATOM 0 H THR 1 27 11.288 -4.705 6.652 1.00 0.00 H new ATOM 0 HA THR 1 27 12.911 -6.058 8.602 1.00 0.00 H new ATOM 0 HB THR 1 27 13.568 -3.314 7.969 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.905 -5.226 8.698 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.489 -2.387 10.255 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.843 -2.726 9.670 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.622 -3.834 10.825 1.00 0.00 H new ATOM 392 N PRO 1 28 11.100 -5.737 10.298 1.00 0.00 N ATOM 393 CA PRO 1 28 9.895 -5.820 11.104 1.00 0.00 C ATOM 394 C PRO 1 28 9.579 -4.474 11.760 1.00 0.00 C ATOM 395 O PRO 1 28 9.431 -4.392 12.978 1.00 0.00 O ATOM 396 CB PRO 1 28 10.172 -6.922 12.114 1.00 0.00 C ATOM 397 CG PRO 1 28 11.682 -7.094 12.138 1.00 0.00 C ATOM 398 CD PRO 1 28 12.253 -6.375 10.928 1.00 0.00 C ATOM 0 HA PRO 1 28 9.009 -6.053 10.513 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.794 -6.652 13.100 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.678 -7.850 11.826 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.098 -6.683 13.058 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.946 -8.151 12.113 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 13.002 -5.639 11.221 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.741 -7.072 10.247 1.00 0.00 H new ATOM 406 N LYS 1 29 9.486 -3.452 10.922 1.00 0.00 N ATOM 407 CA LYS 1 29 9.190 -2.113 11.405 1.00 0.00 C ATOM 408 C LYS 1 29 9.213 -1.136 10.229 1.00 0.00 C ATOM 409 O LYS 1 29 8.642 -0.049 10.309 1.00 0.00 O ATOM 410 CB LYS 1 29 10.141 -1.731 12.540 1.00 0.00 C ATOM 411 CG LYS 1 29 9.431 -0.861 13.580 1.00 0.00 C ATOM 412 CD LYS 1 29 9.422 -1.541 14.951 1.00 0.00 C ATOM 413 CE LYS 1 29 9.195 -0.520 16.067 1.00 0.00 C ATOM 414 NZ LYS 1 29 7.749 -0.354 16.333 1.00 0.00 N ATOM 0 H LYS 1 29 9.610 -3.524 9.912 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.188 -2.075 11.833 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.526 -2.633 13.016 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.999 -1.194 12.135 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.930 0.105 13.653 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.407 -0.667 13.259 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.638 -2.298 14.981 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 10.369 -2.056 15.112 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 9.702 -0.846 16.975 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 9.631 0.438 15.785 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 7.614 0.343 17.093 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 7.273 -0.022 15.470 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 7.342 -1.266 16.623 1.00 0.00 H new ATOM 428 N GLU 1 30 9.880 -1.556 9.164 1.00 0.00 N ATOM 429 CA GLU 1 30 9.984 -0.730 7.973 1.00 0.00 C ATOM 430 C GLU 1 30 8.979 -1.192 6.916 1.00 0.00 C ATOM 431 O GLU 1 30 8.303 -0.372 6.297 1.00 0.00 O ATOM 432 CB GLU 1 30 11.410 -0.748 7.417 1.00 0.00 C ATOM 433 CG GLU 1 30 12.147 0.549 7.759 1.00 0.00 C ATOM 434 CD GLU 1 30 13.146 0.329 8.896 1.00 0.00 C ATOM 435 OE1 GLU 1 30 14.106 -0.438 8.669 1.00 0.00 O ATOM 436 OE2 GLU 1 30 12.927 0.933 9.968 1.00 0.00 O ATOM 0 H GLU 1 30 10.354 -2.457 9.101 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.747 0.298 8.246 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.954 -1.599 7.828 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.381 -0.880 6.335 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.670 0.917 6.877 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.427 1.316 8.046 1.00 0.00 H new ATOM 443 N CYS 1 31 8.913 -2.504 6.742 1.00 0.00 N ATOM 444 CA CYS 1 31 8.001 -3.085 5.772 1.00 0.00 C ATOM 445 C CYS 1 31 6.583 -2.616 6.103 1.00 0.00 C ATOM 446 O CYS 1 31 5.875 -2.106 5.236 1.00 0.00 O ATOM 447 CB CYS 1 31 8.105 -4.612 5.740 1.00 0.00 C ATOM 448 SG CYS 1 31 9.578 -5.263 4.872 1.00 0.00 S ATOM 0 H CYS 1 31 9.476 -3.181 7.257 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.269 -2.748 4.771 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.111 -4.983 6.765 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.212 -5.013 5.261 1.00 0.00 H new ATOM 453 N ASN 1 32 6.210 -2.806 7.360 1.00 0.00 N ATOM 454 CA ASN 1 32 4.889 -2.409 7.817 1.00 0.00 C ATOM 455 C ASN 1 32 4.799 -0.881 7.837 1.00 0.00 C ATOM 456 O ASN 1 32 3.749 -0.323 8.150 1.00 0.00 O ATOM 457 CB ASN 1 32 4.621 -2.916 9.235 1.00 0.00 C ATOM 458 CG ASN 1 32 3.794 -4.202 9.211 1.00 0.00 C ATOM 459 OD1 ASN 1 32 2.697 -4.276 9.741 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.377 -5.209 8.567 1.00 0.00 N ATOM 0 H ASN 1 32 6.800 -3.230 8.076 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.154 -2.838 7.136 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.567 -3.098 9.745 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 4.094 -2.151 9.805 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 3.904 -6.110 8.494 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 5.297 -5.080 8.146 1.00 0.00 H new ATOM 467 N ASN 1 33 5.913 -0.251 7.496 1.00 0.00 N ATOM 468 CA ASN 1 33 5.972 1.200 7.470 1.00 0.00 C ATOM 469 C ASN 1 33 5.949 1.682 6.018 1.00 0.00 C ATOM 470 O ASN 1 33 5.495 2.791 5.735 1.00 0.00 O ATOM 471 CB ASN 1 33 7.262 1.711 8.116 1.00 0.00 C ATOM 472 CG ASN 1 33 7.196 3.220 8.357 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.214 3.880 8.057 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.291 3.727 8.915 1.00 0.00 N ATOM 0 H ASN 1 33 6.781 -0.718 7.236 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.115 1.581 8.024 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.428 1.195 9.062 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.111 1.479 7.473 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.345 4.725 9.117 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.077 3.118 9.141 1.00 0.00 H new ATOM 481 N ARG 1 34 6.442 0.826 5.135 1.00 0.00 N ATOM 482 CA ARG 1 34 6.483 1.149 3.720 1.00 0.00 C ATOM 483 C ARG 1 34 5.152 0.793 3.055 1.00 0.00 C ATOM 484 O ARG 1 34 4.802 1.356 2.019 1.00 0.00 O ATOM 485 CB ARG 1 34 7.615 0.398 3.015 1.00 0.00 C ATOM 486 CG ARG 1 34 8.878 0.376 3.877 1.00 0.00 C ATOM 487 CD ARG 1 34 10.096 0.844 3.077 1.00 0.00 C ATOM 488 NE ARG 1 34 10.991 1.647 3.940 1.00 0.00 N ATOM 489 CZ ARG 1 34 10.651 2.822 4.486 1.00 0.00 C ATOM 490 NH1 ARG 1 34 9.435 3.339 4.263 1.00 0.00 N ATOM 491 NH2 ARG 1 34 11.528 3.481 5.257 1.00 0.00 N ATOM 0 H ARG 1 34 6.817 -0.092 5.373 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.663 2.220 3.630 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.300 -0.623 2.799 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.831 0.874 2.058 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.741 1.019 4.746 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 9.050 -0.633 4.251 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.635 -0.017 2.682 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.773 1.438 2.222 1.00 0.00 H new ATOM 0 HE ARG 1 34 11.925 1.283 4.131 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 8.767 2.838 3.677 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 9.177 4.234 4.679 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 12.453 3.088 5.427 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 11.270 4.376 5.673 1.00 0.00 H new ATOM 505 N GLY 1 35 4.446 -0.138 3.679 1.00 0.00 N ATOM 506 CA GLY 1 35 3.161 -0.576 3.161 1.00 0.00 C ATOM 507 C GLY 1 35 3.182 -2.070 2.833 1.00 0.00 C ATOM 508 O GLY 1 35 2.433 -2.531 1.972 1.00 0.00 O ATOM 0 H GLY 1 35 4.739 -0.601 4.539 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.381 -0.372 3.894 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.913 -0.007 2.265 1.00 0.00 H new ATOM 512 N CYS 1 36 4.048 -2.785 3.536 1.00 0.00 N ATOM 513 CA CYS 1 36 4.176 -4.218 3.330 1.00 0.00 C ATOM 514 C CYS 1 36 3.851 -4.923 4.648 1.00 0.00 C ATOM 515 O CYS 1 36 3.498 -4.275 5.632 1.00 0.00 O ATOM 516 CB CYS 1 36 5.566 -4.593 2.810 1.00 0.00 C ATOM 517 SG CYS 1 36 6.108 -3.663 1.329 1.00 0.00 S ATOM 0 H CYS 1 36 4.668 -2.399 4.248 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.473 -4.542 2.562 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.292 -4.434 3.607 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.576 -5.658 2.577 1.00 0.00 H new ATOM 522 N CYS 1 37 3.981 -6.241 4.625 1.00 0.00 N ATOM 523 CA CYS 1 37 3.705 -7.043 5.805 1.00 0.00 C ATOM 524 C CYS 1 37 4.902 -7.963 6.051 1.00 0.00 C ATOM 525 O CYS 1 37 5.300 -8.720 5.167 1.00 0.00 O ATOM 526 CB CYS 1 37 2.400 -7.828 5.664 1.00 0.00 C ATOM 527 SG CYS 1 37 1.587 -8.258 7.246 1.00 0.00 S ATOM 0 H CYS 1 37 4.274 -6.774 3.807 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.567 -6.390 6.667 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.704 -7.244 5.062 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.603 -8.747 5.115 1.00 0.00 H new ATOM 532 N PHE 1 38 5.442 -7.869 7.257 1.00 0.00 N ATOM 533 CA PHE 1 38 6.585 -8.684 7.630 1.00 0.00 C ATOM 534 C PHE 1 38 6.135 -10.029 8.206 1.00 0.00 C ATOM 535 O PHE 1 38 5.410 -10.072 9.199 1.00 0.00 O ATOM 536 CB PHE 1 38 7.352 -7.914 8.708 1.00 0.00 C ATOM 537 CG PHE 1 38 8.651 -8.589 9.150 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.776 -8.463 8.396 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.682 -9.316 10.300 1.00 0.00 C ATOM 540 CE1 PHE 1 38 10.982 -9.091 8.807 1.00 0.00 C ATOM 541 CE2 PHE 1 38 9.887 -9.944 10.712 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.011 -9.818 9.957 1.00 0.00 C ATOM 0 H PHE 1 38 5.109 -7.241 7.988 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.202 -8.881 6.753 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.582 -6.917 8.333 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.707 -7.787 9.577 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.752 -7.885 7.484 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 7.789 -9.415 10.900 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.875 -8.992 8.208 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 9.911 -10.521 11.624 1.00 0.00 H new ATOM 0 HZ PHE 1 38 11.928 -10.295 10.270 1.00 0.00 H new ATOM 552 N ASP 1 39 6.585 -11.094 7.558 1.00 0.00 N ATOM 553 CA ASP 1 39 6.237 -12.436 7.993 1.00 0.00 C ATOM 554 C ASP 1 39 7.278 -12.927 9.001 1.00 0.00 C ATOM 555 O ASP 1 39 7.078 -12.812 10.209 1.00 0.00 O ATOM 556 CB ASP 1 39 6.224 -13.411 6.813 1.00 0.00 C ATOM 557 CG ASP 1 39 5.996 -14.877 7.188 1.00 0.00 C ATOM 558 OD1 ASP 1 39 4.857 -15.186 7.601 1.00 0.00 O ATOM 559 OD2 ASP 1 39 6.965 -15.655 7.055 1.00 0.00 O ATOM 0 H ASP 1 39 7.187 -11.055 6.736 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.244 -12.399 8.441 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.444 -13.104 6.116 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.174 -13.330 6.284 1.00 0.00 H new ATOM 564 N SER 1 40 8.365 -13.463 8.467 1.00 0.00 N ATOM 565 CA SER 1 40 9.438 -13.970 9.305 1.00 0.00 C ATOM 566 C SER 1 40 9.170 -15.433 9.668 1.00 0.00 C ATOM 567 O SER 1 40 10.069 -16.136 10.128 1.00 0.00 O ATOM 568 CB SER 1 40 9.593 -13.129 10.573 1.00 0.00 C ATOM 569 OG SER 1 40 10.959 -12.980 10.952 1.00 0.00 O ATOM 0 H SER 1 40 8.526 -13.557 7.464 1.00 0.00 H new ATOM 0 HA SER 1 40 10.370 -13.905 8.744 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.152 -12.145 10.411 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.040 -13.596 11.388 1.00 0.00 H new ATOM 0 HG SER 1 40 11.225 -12.042 10.856 1.00 0.00 H new ATOM 575 N ARG 1 41 7.931 -15.846 9.449 1.00 0.00 N ATOM 576 CA ARG 1 41 7.533 -17.212 9.748 1.00 0.00 C ATOM 577 C ARG 1 41 8.350 -18.197 8.908 1.00 0.00 C ATOM 578 O ARG 1 41 8.855 -19.191 9.429 1.00 0.00 O ATOM 579 CB ARG 1 41 6.045 -17.426 9.468 1.00 0.00 C ATOM 580 CG ARG 1 41 5.185 -16.527 10.360 1.00 0.00 C ATOM 581 CD ARG 1 41 4.000 -17.302 10.938 1.00 0.00 C ATOM 582 NE ARG 1 41 4.470 -18.248 11.974 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.835 -17.886 13.211 1.00 0.00 C ATOM 584 NH1 ARG 1 41 4.786 -16.597 13.575 1.00 0.00 N ATOM 585 NH2 ARG 1 41 5.250 -18.814 14.086 1.00 0.00 N ATOM 0 H ARG 1 41 7.189 -15.259 9.068 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.720 -17.388 10.807 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 5.834 -17.213 8.420 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.785 -18.471 9.640 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.792 -16.126 11.171 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 4.822 -15.677 9.783 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.277 -16.609 11.368 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.488 -17.845 10.144 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.519 -19.237 11.731 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 4.471 -15.891 12.910 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 5.064 -16.322 14.517 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.288 -19.795 13.809 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 5.528 -18.539 15.028 1.00 0.00 H new ATOM 599 N ILE 1 42 8.452 -17.889 7.625 1.00 0.00 N ATOM 600 CA ILE 1 42 9.198 -18.735 6.709 1.00 0.00 C ATOM 601 C ILE 1 42 10.330 -17.922 6.076 1.00 0.00 C ATOM 602 O ILE 1 42 10.077 -16.965 5.346 1.00 0.00 O ATOM 603 CB ILE 1 42 8.258 -19.379 5.687 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.885 -19.656 6.305 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.881 -20.640 5.087 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.150 -20.756 5.535 1.00 0.00 C ATOM 0 H ILE 1 42 8.030 -17.065 7.197 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.661 -19.562 7.247 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.108 -18.674 4.869 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.004 -19.954 7.347 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.289 -18.743 6.300 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.192 -21.078 4.364 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.815 -20.382 4.588 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.080 -21.360 5.880 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.177 -20.934 5.994 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.011 -20.445 4.500 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.737 -21.674 5.562 1.00 0.00 H new ATOM 618 N PRO 1 43 11.584 -18.344 6.386 1.00 0.00 N ATOM 619 CA PRO 1 43 12.754 -17.666 5.856 1.00 0.00 C ATOM 620 C PRO 1 43 12.967 -18.011 4.381 1.00 0.00 C ATOM 621 O PRO 1 43 13.835 -17.438 3.725 1.00 0.00 O ATOM 622 CB PRO 1 43 13.904 -18.115 6.743 1.00 0.00 C ATOM 623 CG PRO 1 43 13.425 -19.379 7.439 1.00 0.00 C ATOM 624 CD PRO 1 43 11.921 -19.474 7.248 1.00 0.00 C ATOM 0 HA PRO 1 43 12.655 -16.581 5.873 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.799 -18.310 6.153 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.162 -17.343 7.469 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.919 -20.256 7.021 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.674 -19.349 8.500 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.639 -20.421 6.787 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.396 -19.415 8.202 1.00 0.00 H new ATOM 632 N GLY 1 44 12.159 -18.946 3.902 1.00 0.00 N ATOM 633 CA GLY 1 44 12.248 -19.374 2.517 1.00 0.00 C ATOM 634 C GLY 1 44 11.249 -18.613 1.643 1.00 0.00 C ATOM 635 O GLY 1 44 11.236 -18.774 0.424 1.00 0.00 O ATOM 0 H GLY 1 44 11.440 -19.419 4.449 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.260 -19.210 2.146 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.054 -20.444 2.450 1.00 0.00 H new ATOM 639 N VAL 1 45 10.437 -17.798 2.301 1.00 0.00 N ATOM 640 CA VAL 1 45 9.437 -17.011 1.599 1.00 0.00 C ATOM 641 C VAL 1 45 9.717 -15.523 1.821 1.00 0.00 C ATOM 642 O VAL 1 45 10.681 -15.163 2.495 1.00 0.00 O ATOM 643 CB VAL 1 45 8.034 -17.429 2.045 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.994 -18.915 2.408 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.551 -16.567 3.213 1.00 0.00 C ATOM 0 H VAL 1 45 10.451 -17.666 3.312 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.490 -17.195 0.526 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.355 -17.270 1.207 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.986 -19.186 2.722 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.276 -19.510 1.539 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.692 -19.109 3.222 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.552 -16.885 3.511 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.234 -16.680 4.055 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.523 -15.521 2.906 1.00 0.00 H new ATOM 655 N PRO 1 46 8.834 -14.677 1.227 1.00 0.00 N ATOM 656 CA PRO 1 46 8.976 -13.236 1.354 1.00 0.00 C ATOM 657 C PRO 1 46 8.546 -12.764 2.744 1.00 0.00 C ATOM 658 O PRO 1 46 7.386 -12.913 3.124 1.00 0.00 O ATOM 659 CB PRO 1 46 8.121 -12.657 0.239 1.00 0.00 C ATOM 660 CG PRO 1 46 7.169 -13.767 -0.176 1.00 0.00 C ATOM 661 CD PRO 1 46 7.680 -15.068 0.422 1.00 0.00 C ATOM 0 HA PRO 1 46 10.010 -12.905 1.258 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.572 -11.780 0.583 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.738 -12.338 -0.601 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.159 -13.556 0.176 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.119 -13.840 -1.262 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 6.916 -15.550 1.032 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 7.962 -15.778 -0.356 1.00 0.00 H new ATOM 669 N TRP 1 47 9.506 -12.203 3.465 1.00 0.00 N ATOM 670 CA TRP 1 47 9.242 -11.706 4.806 1.00 0.00 C ATOM 671 C TRP 1 47 8.832 -10.237 4.693 1.00 0.00 C ATOM 672 O TRP 1 47 9.052 -9.456 5.618 1.00 0.00 O ATOM 673 CB TRP 1 47 10.451 -11.922 5.718 1.00 0.00 C ATOM 674 CG TRP 1 47 11.524 -12.836 5.125 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.542 -14.176 5.095 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.742 -12.422 4.471 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.678 -14.653 4.473 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.431 -13.552 4.082 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.246 -11.134 4.217 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.662 -13.509 3.416 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.477 -11.107 3.551 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.182 -12.236 3.153 1.00 0.00 C ATOM 0 H TRP 1 47 10.467 -12.081 3.147 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.426 -12.260 5.270 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.898 -10.954 5.946 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.109 -12.346 6.662 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.765 -14.804 5.506 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 12.920 -15.633 4.327 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.724 -10.236 4.513 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.182 -14.409 3.121 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 14.909 -10.142 3.331 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.128 -12.132 2.642 1.00 0.00 H new ATOM 693 N CYS 1 48 8.243 -9.905 3.554 1.00 0.00 N ATOM 694 CA CYS 1 48 7.800 -8.543 3.309 1.00 0.00 C ATOM 695 C CYS 1 48 6.985 -8.528 2.014 1.00 0.00 C ATOM 696 O CYS 1 48 7.532 -8.728 0.931 1.00 0.00 O ATOM 697 CB CYS 1 48 8.976 -7.567 3.255 1.00 0.00 C ATOM 698 SG CYS 1 48 8.505 -5.801 3.154 1.00 0.00 S ATOM 0 H CYS 1 48 8.062 -10.556 2.790 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.173 -8.208 4.135 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.593 -7.714 4.142 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.595 -7.813 2.392 1.00 0.00 H new ATOM 703 N PHE 1 49 5.691 -8.290 2.169 1.00 0.00 N ATOM 704 CA PHE 1 49 4.796 -8.247 1.026 1.00 0.00 C ATOM 705 C PHE 1 49 3.639 -7.276 1.272 1.00 0.00 C ATOM 706 O PHE 1 49 3.648 -6.529 2.249 1.00 0.00 O ATOM 707 CB PHE 1 49 4.232 -9.657 0.845 1.00 0.00 C ATOM 708 CG PHE 1 49 4.099 -10.446 2.150 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.211 -10.893 2.790 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.866 -10.700 2.667 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.087 -11.625 4.002 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.743 -11.432 3.879 1.00 0.00 C ATOM 713 CZ PHE 1 49 3.856 -11.879 4.520 1.00 0.00 C ATOM 0 H PHE 1 49 5.241 -8.125 3.069 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.338 -7.909 0.143 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.252 -9.588 0.373 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.876 -10.210 0.162 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.189 -10.692 2.378 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 1.982 -10.346 2.157 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 5.971 -11.979 4.512 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.765 -11.633 4.291 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.762 -12.436 5.441 1.00 0.00 H new ATOM 723 N LYS 1 50 2.671 -7.318 0.368 1.00 0.00 N ATOM 724 CA LYS 1 50 1.510 -6.451 0.474 1.00 0.00 C ATOM 725 C LYS 1 50 0.247 -7.308 0.585 1.00 0.00 C ATOM 726 O LYS 1 50 -0.549 -7.372 -0.352 1.00 0.00 O ATOM 727 CB LYS 1 50 1.477 -5.455 -0.686 1.00 0.00 C ATOM 728 CG LYS 1 50 2.444 -5.873 -1.796 1.00 0.00 C ATOM 729 CD LYS 1 50 3.835 -5.282 -1.561 1.00 0.00 C ATOM 730 CE LYS 1 50 3.757 -3.774 -1.315 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.716 -3.163 -2.173 1.00 0.00 N ATOM 0 H LYS 1 50 2.667 -7.939 -0.441 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.567 -5.848 1.380 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.465 -5.390 -1.086 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.741 -4.461 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.509 -6.960 -1.837 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.062 -5.540 -2.761 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.301 -5.770 -0.705 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.469 -5.481 -2.425 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.531 -3.582 -0.266 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.724 -3.315 -1.523 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.965 -2.172 -2.369 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.653 -3.688 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.798 -3.199 -1.685 1.00 0.00 H new ATOM 745 N PRO 1 51 0.099 -7.964 1.767 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.053 -8.815 2.012 1.00 0.00 C ATOM 747 C PRO 1 51 -2.305 -7.978 2.278 1.00 0.00 C ATOM 748 O PRO 1 51 -2.964 -7.524 1.344 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.656 -9.684 3.193 1.00 0.00 C ATOM 750 CG PRO 1 51 0.512 -8.975 3.859 1.00 0.00 C ATOM 751 CD PRO 1 51 1.021 -7.913 2.898 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.312 -9.432 1.151 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.488 -9.803 3.887 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.370 -10.683 2.864 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.197 -8.521 4.798 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.304 -9.685 4.098 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.024 -6.927 3.363 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.044 -8.120 2.584 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.597 -7.799 3.559 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.759 -7.025 3.960 1.00 0.00 C ATOM 761 C LEU 1 52 -3.347 -5.566 4.168 1.00 0.00 C ATOM 762 O LEU 1 52 -3.917 -4.870 5.008 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.426 -7.656 5.185 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.779 -7.345 6.536 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.641 -6.376 7.347 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.481 -8.631 7.310 1.00 0.00 C ATOM 0 H LEU 1 52 -2.049 -8.177 4.332 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.514 -7.035 3.174 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.465 -7.327 5.218 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.438 -8.738 5.051 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.825 -6.851 6.352 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.158 -6.172 8.303 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -4.760 -5.444 6.794 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.621 -6.820 7.523 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.021 -8.382 8.266 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.410 -9.174 7.484 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.799 -9.254 6.731 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.360 -5.146 3.391 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.866 -3.783 3.479 1.00 0.00 C ATOM 780 C GLN 1 53 -3.018 -2.789 3.320 1.00 0.00 C ATOM 781 O GLN 1 53 -2.909 -1.635 3.732 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.774 -3.527 2.439 1.00 0.00 C ATOM 783 CG GLN 1 53 0.435 -4.434 2.677 1.00 0.00 C ATOM 784 CD GLN 1 53 1.003 -4.233 4.082 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.265 -5.172 4.816 1.00 0.00 O ATOM 786 NE2 GLN 1 53 1.179 -2.958 4.417 1.00 0.00 N ATOM 0 H GLN 1 53 -1.889 -5.726 2.697 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.423 -3.641 4.465 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.172 -3.700 1.439 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.464 -2.483 2.482 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.144 -5.476 2.544 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.205 -4.221 1.936 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.939 -2.219 3.756 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.554 -2.719 5.335 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.097 -3.273 2.722 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.268 -2.441 2.504 1.00 0.00 C ATOM 797 C GLU 1 54 -5.549 -1.585 3.740 1.00 0.00 C ATOM 798 O GLU 1 54 -6.138 -0.510 3.634 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.485 -3.293 2.139 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.139 -3.880 3.392 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.401 -3.101 3.768 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.446 -3.377 3.140 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.291 -2.248 4.676 1.00 0.00 O ATOM 0 H GLU 1 54 -4.185 -4.231 2.382 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.066 -1.776 1.664 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.210 -2.685 1.597 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.182 -4.099 1.471 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.391 -4.926 3.219 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.432 -3.856 4.221 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.114 -2.094 4.884 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.312 -1.389 6.139 1.00 0.00 C ATOM 812 C ALA 1 55 -5.115 0.112 5.913 1.00 0.00 C ATOM 813 O ALA 1 55 -6.084 0.867 5.857 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.356 -1.949 7.195 1.00 0.00 C ATOM 0 H ALA 1 55 -4.626 -2.986 4.968 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.328 -1.537 6.506 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.504 -1.420 8.137 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.555 -3.011 7.340 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.327 -1.815 6.862 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.854 0.499 5.789 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.518 1.896 5.571 1.00 0.00 C ATOM 822 C GLU 1 56 -2.672 2.046 4.305 1.00 0.00 C ATOM 823 O GLU 1 56 -1.920 3.010 4.167 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.795 2.483 6.785 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.689 3.482 7.524 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.198 3.702 8.956 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -1.961 3.691 9.140 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -4.070 3.877 9.834 1.00 0.00 O ATOM 0 H GLU 1 56 -3.053 -0.130 5.835 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.444 2.455 5.436 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.503 1.680 7.462 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.879 2.978 6.463 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.699 4.432 6.989 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.715 3.115 7.540 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.825 1.079 3.411 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.084 1.092 2.161 1.00 0.00 C ATOM 837 C CYS 1 57 -3.045 1.487 1.038 1.00 0.00 C ATOM 838 O CYS 1 57 -2.782 2.431 0.293 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.411 -0.254 1.889 1.00 0.00 C ATOM 840 SG CYS 1 57 0.085 -0.164 0.837 1.00 0.00 S ATOM 0 H CYS 1 57 -3.451 0.282 3.528 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.277 1.822 2.221 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.141 -0.709 2.842 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.134 -0.916 1.413 1.00 0.00 H new ATOM 845 N THR 1 58 -4.139 0.746 0.950 1.00 0.00 N ATOM 846 CA THR 1 58 -5.141 1.006 -0.069 1.00 0.00 C ATOM 847 C THR 1 58 -6.075 2.133 0.376 1.00 0.00 C ATOM 848 O THR 1 58 -6.603 2.871 -0.454 1.00 0.00 O ATOM 849 CB THR 1 58 -5.870 -0.307 -0.363 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.392 -0.128 -1.677 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.113 -0.495 0.510 1.00 0.00 C ATOM 0 H THR 1 58 -4.354 -0.036 1.569 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.682 1.353 -0.995 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.188 -1.143 -0.208 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.368 -0.048 -1.633 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.593 -1.442 0.261 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.822 -0.501 1.561 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.811 0.323 0.331 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.251 2.230 1.686 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.112 3.255 2.251 1.00 0.00 C ATOM 861 C PHE 1 59 -7.053 4.539 1.423 1.00 0.00 C ATOM 862 O PHE 1 59 -7.860 4.735 0.516 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.593 3.546 3.660 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.664 4.066 4.623 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.802 3.348 4.825 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.478 5.244 5.275 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.795 3.830 5.718 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.472 5.726 6.168 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.609 5.008 6.370 1.00 0.00 C ATOM 0 H PHE 1 59 -5.812 1.616 2.372 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.146 2.909 2.261 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.160 2.634 4.072 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.790 4.280 3.596 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -8.950 2.412 4.306 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.575 5.814 5.114 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.698 3.260 5.879 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -8.325 6.662 6.686 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.365 5.374 7.049 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -17.159 -3.714 0.282 1.00 0.00 N ATOM 881 CA GLU 2 1 -18.225 -3.795 -0.702 1.00 0.00 C ATOM 882 C GLU 2 1 -18.319 -2.487 -1.491 1.00 0.00 C ATOM 883 O GLU 2 1 -18.151 -2.479 -2.710 1.00 0.00 O ATOM 884 CB GLU 2 1 -19.561 -4.132 -0.038 1.00 0.00 C ATOM 885 CG GLU 2 1 -19.493 -5.482 0.677 1.00 0.00 C ATOM 886 CD GLU 2 1 -20.589 -5.597 1.739 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -20.493 -4.853 2.737 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -21.499 -6.428 1.526 1.00 0.00 O ATOM 0 H1 GLU 2 1 -16.853 -4.673 0.542 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -16.355 -3.191 -0.120 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -17.505 -3.219 1.129 1.00 0.00 H new ATOM 0 HA GLU 2 1 -17.990 -4.601 -1.398 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -19.823 -3.351 0.676 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -20.350 -4.154 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -19.600 -6.288 -0.049 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -18.515 -5.601 1.144 1.00 0.00 H new ATOM 895 N GLU 2 2 -18.587 -1.413 -0.764 1.00 0.00 N ATOM 896 CA GLU 2 2 -18.706 -0.103 -1.381 1.00 0.00 C ATOM 897 C GLU 2 2 -17.320 0.509 -1.598 1.00 0.00 C ATOM 898 O GLU 2 2 -17.022 1.582 -1.074 1.00 0.00 O ATOM 899 CB GLU 2 2 -19.587 0.822 -0.538 1.00 0.00 C ATOM 900 CG GLU 2 2 -19.090 0.887 0.907 1.00 0.00 C ATOM 901 CD GLU 2 2 -19.235 2.301 1.473 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -19.050 3.251 0.682 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -19.526 2.399 2.685 1.00 0.00 O ATOM 0 H GLU 2 2 -18.725 -1.423 0.247 1.00 0.00 H new ATOM 0 HA GLU 2 2 -19.186 -0.223 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -19.589 1.822 -0.971 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -20.617 0.465 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -19.655 0.186 1.521 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -18.045 0.579 0.950 1.00 0.00 H new ATOM 910 N TYR 2 3 -16.510 -0.199 -2.371 1.00 0.00 N ATOM 911 CA TYR 2 3 -15.163 0.260 -2.663 1.00 0.00 C ATOM 912 C TYR 2 3 -15.139 1.114 -3.933 1.00 0.00 C ATOM 913 O TYR 2 3 -14.851 0.610 -5.018 1.00 0.00 O ATOM 914 CB TYR 2 3 -14.328 -1.000 -2.894 1.00 0.00 C ATOM 915 CG TYR 2 3 -13.787 -1.632 -1.610 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -14.642 -1.905 -0.561 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -12.443 -1.928 -1.500 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -14.133 -2.499 0.647 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -11.934 -2.522 -0.291 1.00 0.00 C ATOM 920 CZ TYR 2 3 -12.804 -2.779 0.723 1.00 0.00 C ATOM 921 OH TYR 2 3 -12.323 -3.340 1.864 1.00 0.00 O ATOM 0 H TYR 2 3 -16.761 -1.088 -2.804 1.00 0.00 H new ATOM 0 HA TYR 2 3 -14.780 0.870 -1.845 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -14.937 -1.735 -3.420 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -13.490 -0.754 -3.547 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -15.693 -1.673 -0.647 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -11.774 -1.714 -2.320 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -14.791 -2.718 1.475 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -10.885 -2.758 -0.191 1.00 0.00 H new ATOM 0 HH TYR 2 3 -11.365 -3.148 1.945 1.00 0.00 H new ATOM 931 N VAL 2 4 -15.446 2.390 -3.756 1.00 0.00 N ATOM 932 CA VAL 2 4 -15.463 3.318 -4.875 1.00 0.00 C ATOM 933 C VAL 2 4 -14.555 4.508 -4.559 1.00 0.00 C ATOM 934 O VAL 2 4 -13.654 4.829 -5.332 1.00 0.00 O ATOM 935 CB VAL 2 4 -16.902 3.731 -5.189 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -17.760 3.741 -3.923 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -16.941 5.091 -5.890 1.00 0.00 C ATOM 0 H VAL 2 4 -15.685 2.804 -2.855 1.00 0.00 H new ATOM 0 HA VAL 2 4 -15.072 2.841 -5.774 1.00 0.00 H new ATOM 0 HB VAL 2 4 -17.322 2.991 -5.870 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -18.778 4.038 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -17.772 2.744 -3.483 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -17.343 4.448 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -17.975 5.361 -6.102 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -16.494 5.846 -5.244 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -16.382 5.035 -6.824 1.00 0.00 H new ATOM 947 N GLY 2 5 -14.824 5.130 -3.419 1.00 0.00 N ATOM 948 CA GLY 2 5 -14.043 6.278 -2.991 1.00 0.00 C ATOM 949 C GLY 2 5 -12.629 5.858 -2.585 1.00 0.00 C ATOM 950 O GLY 2 5 -11.809 6.698 -2.218 1.00 0.00 O ATOM 0 H GLY 2 5 -15.572 4.860 -2.780 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -13.992 7.009 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -14.537 6.766 -2.151 1.00 0.00 H new ATOM 954 N LEU 2 6 -12.386 4.558 -2.663 1.00 0.00 N ATOM 955 CA LEU 2 6 -11.086 4.016 -2.308 1.00 0.00 C ATOM 956 C LEU 2 6 -10.604 3.086 -3.423 1.00 0.00 C ATOM 957 O LEU 2 6 -9.634 2.350 -3.247 1.00 0.00 O ATOM 958 CB LEU 2 6 -11.141 3.349 -0.932 1.00 0.00 C ATOM 959 CG LEU 2 6 -12.526 2.907 -0.456 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -12.419 1.766 0.557 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -13.320 4.092 0.097 1.00 0.00 C ATOM 0 H LEU 2 6 -13.068 3.864 -2.967 1.00 0.00 H new ATOM 0 HA LEU 2 6 -10.351 4.816 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -10.488 2.476 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -10.730 4.042 -0.198 1.00 0.00 H new ATOM 0 HG LEU 2 6 -13.076 2.524 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -13.418 1.471 0.879 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -11.920 0.914 0.094 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -11.843 2.099 1.420 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -14.301 3.750 0.428 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -12.784 4.528 0.940 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -13.442 4.844 -0.683 1.00 0.00 H new ATOM 973 N SER 2 7 -11.303 3.148 -4.547 1.00 0.00 N ATOM 974 CA SER 2 7 -10.959 2.321 -5.690 1.00 0.00 C ATOM 975 C SER 2 7 -10.318 3.179 -6.782 1.00 0.00 C ATOM 976 O SER 2 7 -9.777 4.247 -6.499 1.00 0.00 O ATOM 977 CB SER 2 7 -12.191 1.599 -6.239 1.00 0.00 C ATOM 978 OG SER 2 7 -11.957 0.204 -6.417 1.00 0.00 O ATOM 0 H SER 2 7 -12.107 3.759 -4.690 1.00 0.00 H new ATOM 0 HA SER 2 7 -10.244 1.566 -5.362 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -13.029 1.742 -5.557 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -12.477 2.043 -7.192 1.00 0.00 H new ATOM 0 HG SER 2 7 -12.767 -0.222 -6.767 1.00 0.00 H new ATOM 984 N ALA 2 8 -10.397 2.680 -8.007 1.00 0.00 N ATOM 985 CA ALA 2 8 -9.831 3.387 -9.143 1.00 0.00 C ATOM 986 C ALA 2 8 -10.608 4.686 -9.368 1.00 0.00 C ATOM 987 O ALA 2 8 -11.558 4.717 -10.149 1.00 0.00 O ATOM 988 CB ALA 2 8 -9.848 2.476 -10.371 1.00 0.00 C ATOM 0 H ALA 2 8 -10.845 1.793 -8.238 1.00 0.00 H new ATOM 0 HA ALA 2 8 -8.792 3.654 -8.951 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -9.423 3.006 -11.223 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -9.258 1.582 -10.169 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -10.875 2.189 -10.597 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.175 5.725 -8.670 1.00 0.00 N ATOM 995 CA ASN 2 9 -10.818 7.023 -8.784 1.00 0.00 C ATOM 996 C ASN 2 9 -10.389 7.905 -7.610 1.00 0.00 C ATOM 997 O ASN 2 9 -10.339 9.128 -7.733 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.342 6.889 -8.743 1.00 0.00 C ATOM 999 CG ASN 2 9 -12.973 7.399 -10.039 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -13.636 6.675 -10.764 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -12.731 8.682 -10.290 1.00 0.00 N ATOM 0 H ASN 2 9 -9.387 5.695 -8.023 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.521 7.464 -9.735 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -12.615 5.845 -8.588 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.737 7.451 -7.897 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -13.109 9.117 -11.132 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -12.168 9.231 -9.641 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.091 7.251 -6.497 1.00 0.00 N ATOM 1009 CA GLN 2 10 -9.668 7.960 -5.302 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.329 8.659 -5.545 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.064 9.716 -4.976 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.582 7.013 -4.104 1.00 0.00 C ATOM 1013 CG GLN 2 10 -9.369 7.790 -2.804 1.00 0.00 C ATOM 1014 CD GLN 2 10 -9.315 6.846 -1.601 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -10.008 7.017 -0.613 1.00 0.00 O ATOM 1016 NE2 GLN 2 10 -8.454 5.841 -1.741 1.00 0.00 N ATOM 0 H GLN 2 10 -10.134 6.237 -6.398 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.415 8.719 -5.071 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -10.497 6.425 -4.034 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -8.762 6.310 -4.250 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -8.442 8.360 -2.865 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -10.177 8.509 -2.670 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -7.904 5.756 -2.596 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -8.344 5.155 -0.994 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.519 8.039 -6.392 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.214 8.588 -6.718 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.419 9.840 -7.574 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.454 10.495 -7.964 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.326 7.558 -7.417 1.00 0.00 C ATOM 1030 SG CYS 2 11 -3.687 8.185 -7.937 1.00 0.00 S ATOM 0 H CYS 2 11 -7.742 7.162 -6.862 1.00 0.00 H new ATOM 0 HA CYS 2 11 -5.691 8.858 -5.801 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.179 6.711 -6.747 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -5.851 7.183 -8.295 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.684 10.134 -7.841 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.028 11.294 -8.644 1.00 0.00 C ATOM 1037 C ALA 2 12 -8.917 12.231 -7.824 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.477 13.188 -8.358 1.00 0.00 O ATOM 1039 CB ALA 2 12 -8.701 10.838 -9.940 1.00 0.00 C ATOM 0 H ALA 2 12 -8.482 9.589 -7.515 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.131 11.848 -8.921 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -8.959 11.709 -10.542 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -8.018 10.199 -10.500 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.607 10.280 -9.703 1.00 0.00 H new ATOM 1045 N VAL 2 13 -9.019 11.924 -6.539 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.830 12.726 -5.640 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.584 14.209 -5.923 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.649 14.561 -6.641 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.540 12.340 -4.188 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.753 13.440 -3.474 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.835 12.017 -3.437 1.00 0.00 C ATOM 0 H VAL 2 13 -8.553 11.130 -6.099 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.890 12.534 -5.809 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.924 11.441 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.561 13.140 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.805 13.602 -3.988 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -9.331 14.364 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -10.601 11.746 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -11.487 12.891 -3.443 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -11.341 11.184 -3.925 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.463 15.061 -5.331 1.00 0.00 N ATOM 1062 CA PRO 2 14 -10.350 16.499 -5.512 1.00 0.00 C ATOM 1063 C PRO 2 14 -9.190 17.067 -4.691 1.00 0.00 C ATOM 1064 O PRO 2 14 -9.219 18.229 -4.290 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.701 17.055 -5.096 1.00 0.00 C ATOM 1066 CG PRO 2 14 -12.359 15.969 -4.260 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.581 14.681 -4.474 1.00 0.00 C ATOM 0 HA PRO 2 14 -10.120 16.776 -6.541 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.585 17.974 -4.521 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -12.308 17.299 -5.968 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -12.357 16.245 -3.206 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.401 15.839 -4.554 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -11.232 14.268 -3.528 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -12.200 13.918 -4.946 1.00 0.00 H new ATOM 1075 N ALA 2 15 -8.196 16.219 -4.465 1.00 0.00 N ATOM 1076 CA ALA 2 15 -7.029 16.622 -3.699 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.483 17.281 -2.396 1.00 0.00 C ATOM 1078 O ALA 2 15 -7.285 18.480 -2.200 1.00 0.00 O ATOM 1079 CB ALA 2 15 -6.155 17.547 -4.547 1.00 0.00 C ATOM 0 H ALA 2 15 -8.175 15.255 -4.799 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.424 15.754 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -5.280 17.849 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.834 17.021 -5.446 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -6.727 18.431 -4.828 1.00 0.00 H new ATOM 1085 N LYS 2 16 -8.083 16.471 -1.536 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.567 16.961 -0.257 1.00 0.00 C ATOM 1087 C LYS 2 16 -9.333 15.845 0.456 1.00 0.00 C ATOM 1088 O LYS 2 16 -10.349 16.098 1.101 1.00 0.00 O ATOM 1089 CB LYS 2 16 -9.383 18.242 -0.448 1.00 0.00 C ATOM 1090 CG LYS 2 16 -10.370 18.095 -1.607 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.808 18.322 -1.135 1.00 0.00 C ATOM 1092 CE LYS 2 16 -12.528 19.329 -2.033 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -13.994 19.162 -1.929 1.00 0.00 N ATOM 0 H LYS 2 16 -8.245 15.477 -1.700 1.00 0.00 H new ATOM 0 HA LYS 2 16 -7.731 17.235 0.386 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -9.925 18.472 0.469 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -8.712 19.079 -0.641 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -10.124 18.810 -2.392 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -10.279 17.100 -2.043 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -12.349 17.376 -1.138 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -11.804 18.684 -0.107 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -12.251 20.343 -1.747 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -12.213 19.192 -3.068 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -14.467 19.854 -2.545 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -14.256 18.200 -2.224 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -14.292 19.315 -0.944 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.817 14.633 0.313 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.440 13.477 0.936 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.420 12.339 1.024 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.788 11.188 1.254 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.631 12.983 0.112 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.606 12.076 0.865 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -12.126 12.539 1.903 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.809 10.939 0.386 1.00 0.00 O ATOM 0 H ASP 2 17 -7.975 14.426 -0.225 1.00 0.00 H new ATOM 0 HA ASP 2 17 -9.785 13.772 1.927 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.178 13.848 -0.263 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.254 12.444 -0.757 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.161 12.701 0.833 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.085 11.725 0.887 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.531 11.624 2.311 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.888 12.419 3.178 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.951 12.099 -0.069 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.496 12.452 -1.454 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.749 13.646 -2.051 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.134 13.827 -3.468 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.447 14.575 -4.343 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.338 15.216 -3.951 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.870 14.681 -5.610 1.00 0.00 N ATOM 0 H ARG 2 18 -6.861 13.657 0.641 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.496 10.762 0.584 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.395 12.946 0.334 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.250 11.268 -0.151 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.401 11.591 -2.116 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.559 12.683 -1.382 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.979 14.549 -1.485 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.673 13.487 -1.975 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.974 13.353 -3.800 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -3.016 15.135 -2.987 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.815 15.785 -4.617 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.714 14.193 -5.908 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.348 15.250 -6.276 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.666 10.639 2.506 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.059 10.425 3.808 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.669 11.062 3.830 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.866 10.780 4.717 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.036 8.929 4.135 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.768 8.698 5.623 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.337 8.253 3.701 1.00 0.00 C ATOM 0 H VAL 2 19 -4.372 9.981 1.784 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.649 10.907 4.588 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.220 8.475 3.573 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.757 7.628 5.829 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.803 9.129 5.890 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.553 9.172 6.212 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.294 7.191 3.945 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.177 8.712 4.223 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.468 8.373 2.626 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.428 11.912 2.842 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.149 12.593 2.736 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.038 11.662 3.224 1.00 0.00 C ATOM 1162 O ASP 2 20 0.360 11.720 4.387 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.123 13.854 3.602 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.266 14.282 4.081 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.008 14.840 3.244 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.554 14.039 5.273 1.00 0.00 O ATOM 0 H ASP 2 20 -3.097 12.144 2.108 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.000 12.869 1.692 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.564 14.674 3.036 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.757 13.691 4.474 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.431 10.822 2.313 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.488 9.879 2.637 1.00 0.00 C ATOM 1173 C CYS 2 21 2.638 10.651 3.287 1.00 0.00 C ATOM 1174 O CYS 2 21 3.285 10.151 4.206 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.950 9.103 1.402 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.358 7.345 1.710 1.00 0.00 S ATOM 0 H CYS 2 21 0.098 10.775 1.350 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.111 9.132 3.336 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.167 9.153 0.645 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.828 9.598 0.986 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.857 11.858 2.787 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.917 12.704 3.308 1.00 0.00 C ATOM 1183 C GLY 2 22 5.253 11.958 3.329 1.00 0.00 C ATOM 1184 O GLY 2 22 5.859 11.794 4.386 1.00 0.00 O ATOM 0 H GLY 2 22 2.318 12.271 2.026 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.006 13.600 2.694 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.663 13.032 4.316 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.672 11.530 2.147 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.926 10.806 2.016 1.00 0.00 C ATOM 1190 C TYR 2 23 8.085 11.764 1.736 1.00 0.00 C ATOM 1191 O TYR 2 23 7.937 12.716 0.972 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.749 9.872 0.817 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.683 8.389 1.187 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.844 7.694 1.461 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.463 7.747 1.247 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.781 6.297 1.809 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.400 6.351 1.596 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.562 5.695 1.861 1.00 0.00 C ATOM 1199 OH TYR 2 23 6.503 4.377 2.189 1.00 0.00 O ATOM 0 H TYR 2 23 5.166 11.670 1.272 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.157 10.267 2.935 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.835 10.145 0.289 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.576 10.026 0.124 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.799 8.197 1.415 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.555 8.291 1.032 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 8.681 5.740 2.024 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.452 5.837 1.646 1.00 0.00 H new ATOM 0 HH TYR 2 23 7.396 3.981 2.114 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.243 11.471 2.386 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.427 12.295 2.215 1.00 0.00 C ATOM 1211 C PRO 2 24 11.084 12.035 0.858 1.00 0.00 C ATOM 1212 O PRO 2 24 12.073 12.677 0.510 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.327 11.939 3.387 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.823 10.604 3.910 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.454 10.351 3.299 1.00 0.00 C ATOM 0 HA PRO 2 24 10.200 13.361 2.213 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.368 11.867 3.072 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.280 12.704 4.162 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.514 9.804 3.643 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.758 10.620 4.998 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.426 9.398 2.770 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.679 10.313 4.065 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.506 11.093 0.127 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.022 10.741 -1.185 1.00 0.00 C ATOM 1225 C HIS 2 25 9.904 10.849 -2.223 1.00 0.00 C ATOM 1226 O HIS 2 25 10.045 10.366 -3.346 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.675 9.357 -1.158 1.00 0.00 C ATOM 1228 CG HIS 2 25 13.177 9.384 -1.315 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 14.038 8.822 -0.389 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.961 9.909 -2.301 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 15.281 9.007 -0.808 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 15.231 9.682 -1.992 1.00 0.00 N ATOM 0 H HIS 2 25 9.685 10.563 0.419 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.805 11.443 -1.472 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.427 8.868 -0.216 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.247 8.749 -1.955 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.608 10.422 -3.183 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 16.177 8.681 -0.301 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 16.037 9.966 -2.548 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.817 11.484 -1.811 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.675 11.661 -2.691 1.00 0.00 C ATOM 1243 C VAL 2 26 8.169 11.963 -4.108 1.00 0.00 C ATOM 1244 O VAL 2 26 8.962 12.881 -4.310 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.751 12.748 -2.137 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.556 13.949 -1.636 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.720 13.178 -3.184 1.00 0.00 C ATOM 0 H VAL 2 26 8.703 11.882 -0.879 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.086 10.745 -2.740 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.212 12.328 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 6.875 14.707 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.233 13.629 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.134 14.368 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.076 13.951 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.234 13.571 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.115 12.319 -3.473 1.00 0.00 H new ATOM 1257 N THR 2 27 7.681 11.170 -5.051 1.00 0.00 N ATOM 1258 CA THR 2 27 8.063 11.340 -6.442 1.00 0.00 C ATOM 1259 C THR 2 27 7.164 10.499 -7.349 1.00 0.00 C ATOM 1260 O THR 2 27 6.598 9.497 -6.912 1.00 0.00 O ATOM 1261 CB THR 2 27 9.548 10.994 -6.569 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.149 12.203 -7.027 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.822 9.993 -7.694 1.00 0.00 C ATOM 0 H THR 2 27 7.025 10.408 -4.879 1.00 0.00 H new ATOM 0 HA THR 2 27 7.925 12.371 -6.767 1.00 0.00 H new ATOM 0 HB THR 2 27 9.907 10.586 -5.624 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.046 12.899 -6.345 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.890 9.782 -7.741 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.278 9.069 -7.499 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.493 10.414 -8.644 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.056 10.947 -8.628 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.234 10.247 -9.601 1.00 0.00 C ATOM 1273 C PRO 2 28 6.918 8.961 -10.073 1.00 0.00 C ATOM 1274 O PRO 2 28 6.995 8.699 -11.272 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.013 11.247 -10.722 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.094 12.303 -10.560 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.711 12.129 -9.181 1.00 0.00 C ATOM 0 HA PRO 2 28 5.281 9.917 -9.187 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.083 10.763 -11.696 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.020 11.692 -10.658 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.853 12.194 -11.335 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.671 13.302 -10.666 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.790 11.990 -9.245 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.539 13.006 -8.557 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.399 8.196 -9.104 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.074 6.944 -9.406 1.00 0.00 C ATOM 1287 C LYS 2 29 8.498 6.271 -8.099 1.00 0.00 C ATOM 1288 O LYS 2 29 8.826 5.085 -8.085 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.230 7.181 -10.379 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.457 5.957 -11.268 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.855 6.376 -12.685 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.165 5.498 -13.730 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.513 6.336 -14.762 1.00 0.00 N ATOM 0 H LYS 2 29 7.335 8.418 -8.111 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.396 6.257 -9.913 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.015 8.051 -11.000 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.140 7.404 -9.821 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.238 5.330 -10.837 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.549 5.356 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.588 7.420 -12.848 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.936 6.302 -12.800 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 9.895 4.837 -14.198 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.423 4.862 -13.247 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 8.049 5.724 -15.464 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 7.802 6.949 -14.314 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 9.229 6.924 -15.235 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.478 7.057 -7.032 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.856 6.550 -5.723 1.00 0.00 C ATOM 1309 C GLU 2 30 7.608 6.245 -4.892 1.00 0.00 C ATOM 1310 O GLU 2 30 7.521 5.192 -4.261 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.770 7.539 -4.997 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.234 7.107 -5.097 1.00 0.00 C ATOM 1313 CD GLU 2 30 12.170 8.314 -4.998 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.973 9.251 -5.801 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 13.061 8.271 -4.123 1.00 0.00 O ATOM 0 H GLU 2 30 8.206 8.040 -7.047 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.413 5.623 -5.860 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.650 8.533 -5.427 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.478 7.608 -3.949 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.463 6.398 -4.301 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.401 6.590 -6.042 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.674 7.185 -4.917 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.435 7.028 -4.174 1.00 0.00 C ATOM 1324 C CYS 2 31 4.774 5.719 -4.611 1.00 0.00 C ATOM 1325 O CYS 2 31 4.477 4.862 -3.781 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.507 8.229 -4.363 1.00 0.00 C ATOM 1327 SG CYS 2 31 5.026 9.748 -3.484 1.00 0.00 S ATOM 0 H CYS 2 31 6.750 8.057 -5.440 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.651 6.984 -3.106 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.434 8.450 -5.428 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.508 7.954 -4.025 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.563 5.608 -5.914 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.942 4.418 -6.472 1.00 0.00 C ATOM 1334 C ASN 2 32 4.826 3.204 -6.183 1.00 0.00 C ATOM 1335 O ASN 2 32 4.397 2.064 -6.357 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.787 4.539 -7.990 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.428 5.138 -8.356 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.693 4.619 -9.179 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 2.136 6.258 -7.699 1.00 0.00 N ATOM 0 H ASN 2 32 4.811 6.322 -6.599 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.958 4.305 -6.016 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.584 5.164 -8.392 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.891 3.556 -8.449 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.251 6.735 -7.872 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.797 6.639 -7.022 1.00 0.00 H new ATOM 1346 N ASN 2 33 6.044 3.488 -5.745 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.992 2.433 -5.430 1.00 0.00 C ATOM 1348 C ASN 2 33 6.898 2.099 -3.939 1.00 0.00 C ATOM 1349 O ASN 2 33 7.144 0.963 -3.537 1.00 0.00 O ATOM 1350 CB ASN 2 33 8.426 2.873 -5.727 1.00 0.00 C ATOM 1351 CG ASN 2 33 9.329 1.665 -5.979 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.882 0.536 -6.097 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 10.624 1.963 -6.054 1.00 0.00 N ATOM 0 H ASN 2 33 6.396 4.434 -5.601 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.748 1.566 -6.044 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.436 3.527 -6.599 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.813 3.452 -4.889 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 11.308 1.225 -6.219 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.932 2.929 -5.946 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.546 3.111 -3.160 1.00 0.00 N ATOM 1361 CA ARG 2 34 6.418 2.940 -1.723 1.00 0.00 C ATOM 1362 C ARG 2 34 5.020 2.426 -1.371 1.00 0.00 C ATOM 1363 O ARG 2 34 4.831 1.790 -0.335 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.669 4.256 -0.986 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.818 5.035 -1.631 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.888 5.392 -0.597 1.00 0.00 C ATOM 1367 NE ARG 2 34 10.236 5.165 -1.165 1.00 0.00 N ATOM 1368 CZ ARG 2 34 11.330 4.929 -0.428 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 11.243 4.886 0.908 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 12.512 4.734 -1.029 1.00 0.00 N ATOM 0 H ARG 2 34 6.345 4.053 -3.497 1.00 0.00 H new ATOM 0 HA ARG 2 34 7.167 2.213 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.763 4.862 -0.997 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.904 4.053 0.059 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 8.263 4.440 -2.429 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.432 5.946 -2.089 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.782 6.434 -0.296 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.755 4.787 0.300 1.00 0.00 H new ATOM 0 HE ARG 2 34 10.338 5.190 -2.180 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 10.343 5.033 1.365 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 12.076 4.706 1.468 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.578 4.765 -2.046 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 13.345 4.554 -0.469 1.00 0.00 H new ATOM 1384 N GLY 2 35 4.077 2.720 -2.254 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.703 2.296 -2.050 1.00 0.00 C ATOM 1386 C GLY 2 35 1.768 3.502 -1.936 1.00 0.00 C ATOM 1387 O GLY 2 35 0.695 3.406 -1.341 1.00 0.00 O ATOM 0 H GLY 2 35 4.238 3.247 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 2.387 1.663 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 2.636 1.692 -1.145 1.00 0.00 H new ATOM 1391 N CYS 2 36 2.209 4.609 -2.515 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.425 5.832 -2.486 1.00 0.00 C ATOM 1393 C CYS 2 36 1.155 6.265 -3.929 1.00 0.00 C ATOM 1394 O CYS 2 36 1.706 5.689 -4.866 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.121 6.931 -1.682 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.547 6.471 0.038 1.00 0.00 S ATOM 0 H CYS 2 36 3.099 4.685 -3.007 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.477 5.647 -1.980 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 3.034 7.220 -2.203 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.476 7.809 -1.659 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.309 7.275 -4.062 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.040 7.792 -5.375 1.00 0.00 C ATOM 1403 C CYS 2 37 0.431 9.244 -5.460 1.00 0.00 C ATOM 1404 O CYS 2 37 0.137 10.049 -4.578 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.539 7.660 -5.653 1.00 0.00 C ATOM 1406 SG CYS 2 37 -1.982 7.538 -7.425 1.00 0.00 S ATOM 0 H CYS 2 37 -0.146 7.750 -3.282 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.459 7.204 -6.146 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -1.914 6.776 -5.137 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.051 8.521 -5.223 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.156 9.535 -6.531 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.671 10.878 -6.743 1.00 0.00 C ATOM 1413 C PHE 2 38 0.714 11.702 -7.606 1.00 0.00 C ATOM 1414 O PHE 2 38 0.414 11.327 -8.738 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.005 10.733 -7.477 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.778 12.045 -7.629 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.490 12.539 -6.580 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.752 12.716 -8.810 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.206 13.757 -6.720 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.470 13.935 -8.951 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.181 14.429 -7.903 1.00 0.00 C ATOM 0 H PHE 2 38 1.399 8.865 -7.260 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.786 11.389 -5.787 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.627 10.017 -6.940 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.820 10.316 -8.467 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.510 12.005 -5.642 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.186 12.323 -9.642 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 5.771 14.150 -5.887 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.451 14.468 -9.890 1.00 0.00 H new ATOM 0 HZ PHE 2 38 5.726 15.355 -8.009 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.261 12.810 -7.038 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.656 13.691 -7.742 1.00 0.00 C ATOM 1433 C ASP 2 39 0.145 14.708 -8.556 1.00 0.00 C ATOM 1434 O ASP 2 39 0.368 14.516 -9.750 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.541 14.461 -6.761 1.00 0.00 C ATOM 1436 CG ASP 2 39 -2.418 15.544 -7.393 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -3.344 15.160 -8.139 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -2.142 16.731 -7.116 1.00 0.00 O ATOM 0 H ASP 2 39 0.512 13.118 -6.098 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.284 13.078 -8.389 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.185 13.751 -6.242 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.904 14.924 -6.007 1.00 0.00 H new ATOM 1443 N SER 2 40 0.557 15.770 -7.877 1.00 0.00 N ATOM 1444 CA SER 2 40 1.328 16.818 -8.523 1.00 0.00 C ATOM 1445 C SER 2 40 0.388 17.871 -9.113 1.00 0.00 C ATOM 1446 O SER 2 40 0.810 18.988 -9.409 1.00 0.00 O ATOM 1447 CB SER 2 40 2.233 16.243 -9.613 1.00 0.00 C ATOM 1448 OG SER 2 40 3.423 17.010 -9.780 1.00 0.00 O ATOM 0 H SER 2 40 0.371 15.926 -6.886 1.00 0.00 H new ATOM 0 HA SER 2 40 1.963 17.288 -7.772 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.496 15.216 -9.361 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.688 16.210 -10.556 1.00 0.00 H new ATOM 0 HG SER 2 40 4.204 16.447 -9.594 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.868 17.478 -9.265 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.870 18.376 -9.814 1.00 0.00 C ATOM 1456 C ARG 2 41 -2.042 19.597 -8.909 1.00 0.00 C ATOM 1457 O ARG 2 41 -2.136 20.724 -9.393 1.00 0.00 O ATOM 1458 CB ARG 2 41 -3.218 17.667 -9.966 1.00 0.00 C ATOM 1459 CG ARG 2 41 -3.124 16.517 -10.970 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.341 16.496 -11.896 1.00 0.00 C ATOM 1461 NE ARG 2 41 -4.159 17.473 -12.993 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -5.098 17.764 -13.903 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -6.292 17.157 -13.852 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.845 18.664 -14.864 1.00 0.00 N ATOM 0 H ARG 2 41 -1.215 16.551 -9.018 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.527 18.696 -10.798 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.542 17.284 -8.998 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.973 18.381 -10.295 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -2.214 16.620 -11.562 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -3.052 15.569 -10.437 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.478 15.496 -12.308 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -5.242 16.735 -11.331 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.262 17.955 -13.060 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -6.486 16.473 -13.120 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -7.007 17.379 -14.545 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.937 19.127 -14.902 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -5.560 18.885 -15.557 1.00 0.00 H new ATOM 1478 N ILE 2 42 -2.080 19.332 -7.612 1.00 0.00 N ATOM 1479 CA ILE 2 42 -2.240 20.396 -6.635 1.00 0.00 C ATOM 1480 C ILE 2 42 -1.055 20.376 -5.667 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.935 19.469 -4.845 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.600 20.288 -5.943 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.658 19.729 -6.898 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -4.020 21.633 -5.346 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -6.069 19.985 -6.363 1.00 0.00 C ATOM 0 H ILE 2 42 -2.003 18.396 -7.214 1.00 0.00 H new ATOM 0 HA ILE 2 42 -2.235 21.369 -7.127 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.508 19.584 -5.116 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.548 20.191 -7.879 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.504 18.658 -7.031 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.990 21.528 -4.860 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -3.280 21.953 -4.613 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -4.090 22.377 -6.139 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.802 19.578 -7.060 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -6.184 19.502 -5.393 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -6.228 21.058 -6.255 1.00 0.00 H new ATOM 1497 N PRO 2 43 -0.187 21.414 -5.801 1.00 0.00 N ATOM 1498 CA PRO 2 43 0.985 21.524 -4.948 1.00 0.00 C ATOM 1499 C PRO 2 43 0.598 21.983 -3.541 1.00 0.00 C ATOM 1500 O PRO 2 43 1.444 22.048 -2.651 1.00 0.00 O ATOM 1501 CB PRO 2 43 1.900 22.504 -5.663 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.019 23.259 -6.644 1.00 0.00 C ATOM 1503 CD PRO 2 43 -0.297 22.506 -6.764 1.00 0.00 C ATOM 0 HA PRO 2 43 1.487 20.569 -4.797 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.370 23.187 -4.955 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 2.703 21.981 -6.182 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 0.846 24.277 -6.296 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.506 23.333 -7.616 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -1.145 23.152 -6.536 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.447 22.129 -7.776 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.681 22.291 -3.384 1.00 0.00 N ATOM 1512 CA GLY 2 44 -1.191 22.743 -2.101 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.711 21.566 -1.273 1.00 0.00 C ATOM 1514 O GLY 2 44 -2.069 21.733 -0.108 1.00 0.00 O ATOM 0 H GLY 2 44 -1.380 22.236 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 -0.402 23.258 -1.553 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.993 23.464 -2.258 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.735 20.403 -1.907 1.00 0.00 N ATOM 1519 CA VAL 2 45 -2.205 19.198 -1.243 1.00 0.00 C ATOM 1520 C VAL 2 45 -1.098 18.144 -1.265 1.00 0.00 C ATOM 1521 O VAL 2 45 0.005 18.406 -1.742 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.504 18.716 -1.893 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -4.342 19.897 -2.385 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -3.216 17.735 -3.030 1.00 0.00 C ATOM 0 H VAL 2 45 -1.437 20.269 -2.873 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.437 19.403 -0.198 1.00 0.00 H new ATOM 0 HB VAL 2 45 -4.083 18.189 -1.135 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -5.259 19.527 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.592 20.542 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.773 20.465 -3.121 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -4.156 17.408 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.607 18.226 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.680 16.871 -2.638 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.439 16.941 -0.729 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.485 15.845 -0.682 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.305 15.217 -2.065 1.00 0.00 C ATOM 1537 O PRO 2 46 -1.257 14.689 -2.640 1.00 0.00 O ATOM 1538 CB PRO 2 46 -1.050 14.875 0.342 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.520 15.234 0.489 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.735 16.595 -0.154 1.00 0.00 C ATOM 0 HA PRO 2 46 0.515 16.169 -0.394 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.931 13.844 0.010 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.529 14.965 1.295 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.146 14.482 0.009 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.803 15.260 1.541 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.510 16.553 -0.920 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -3.053 17.335 0.581 1.00 0.00 H new ATOM 1548 N TRP 2 47 0.922 15.293 -2.560 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.238 14.737 -3.865 1.00 0.00 C ATOM 1550 C TRP 2 47 1.765 13.315 -3.659 1.00 0.00 C ATOM 1551 O TRP 2 47 2.574 12.828 -4.447 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.221 15.635 -4.619 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.466 16.989 -3.950 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 1.654 18.054 -3.921 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 3.642 17.382 -3.210 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.216 19.101 -3.219 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.464 18.678 -2.773 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 4.815 16.665 -2.919 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.419 19.372 -2.020 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.761 17.371 -2.167 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.597 18.677 -1.719 1.00 0.00 C ATOM 0 H TRP 2 47 1.709 15.731 -2.081 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.347 14.690 -4.490 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.173 15.112 -4.717 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 1.844 15.803 -5.628 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 0.681 18.089 -4.389 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 1.794 20.016 -3.057 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 4.974 15.649 -3.250 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.256 20.387 -1.690 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.683 16.866 -1.917 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.375 19.154 -1.141 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.285 12.690 -2.594 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.697 11.334 -2.274 1.00 0.00 C ATOM 1574 C CYS 2 48 0.776 10.798 -1.176 1.00 0.00 C ATOM 1575 O CYS 2 48 0.894 11.190 -0.016 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.170 11.272 -1.864 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.891 9.590 -1.843 1.00 0.00 S ATOM 0 H CYS 2 48 0.615 13.098 -1.942 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.608 10.706 -3.160 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.749 11.892 -2.548 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.275 11.709 -0.871 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.119 9.909 -1.580 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.060 9.315 -0.645 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.341 7.855 -1.003 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.640 7.267 -1.826 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.360 10.114 -0.752 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.609 10.716 -2.136 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.806 11.711 -2.600 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.635 10.257 -2.903 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -2.037 12.269 -3.884 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.866 10.816 -4.188 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -3.063 11.811 -4.651 1.00 0.00 C ATOM 0 H PHE 2 49 -0.213 9.585 -2.543 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.649 9.340 0.364 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.196 9.464 -0.494 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.342 10.917 -0.016 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.992 12.076 -1.991 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.274 9.468 -2.535 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.398 13.058 -4.253 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.679 10.451 -4.797 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -3.240 12.238 -5.627 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.368 7.311 -0.368 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.751 5.929 -0.609 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.194 5.886 -1.117 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.091 5.430 -0.411 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.513 5.082 0.641 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.127 5.959 1.834 1.00 0.00 C ATOM 1608 CD LYS 2 50 -0.632 6.283 1.815 1.00 0.00 C ATOM 1609 CE LYS 2 50 0.201 5.013 1.630 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.343 3.911 2.457 1.00 0.00 N ATOM 0 H LYS 2 50 -2.947 7.801 0.313 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.126 5.490 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.414 4.516 0.878 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.723 4.357 0.448 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -2.704 6.884 1.812 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.380 5.448 2.763 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.418 6.983 1.008 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.351 6.774 2.746 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 0.202 4.721 0.580 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 1.237 5.207 1.908 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.413 3.227 2.665 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -0.715 4.297 3.348 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.109 3.434 1.940 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.377 6.379 -2.371 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.694 6.401 -2.983 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.112 5.001 -3.435 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.608 4.207 -2.636 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.578 7.387 -4.133 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.091 7.529 -4.413 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.337 6.927 -3.238 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.475 6.711 -2.289 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.108 7.024 -5.013 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.019 8.348 -3.869 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -3.826 7.018 -5.339 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -3.825 8.578 -4.540 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.646 6.151 -3.567 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.746 7.681 -2.719 1.00 0.00 H new ATOM 1638 N LEU 2 52 -5.896 4.739 -4.716 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.244 3.447 -5.285 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.010 2.543 -5.277 1.00 0.00 C ATOM 1641 O LEU 2 52 -4.821 1.737 -6.189 1.00 0.00 O ATOM 1642 CB LEU 2 52 -6.870 3.622 -6.670 1.00 0.00 C ATOM 1643 CG LEU 2 52 -5.935 3.405 -7.861 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.520 4.015 -9.136 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -4.532 3.936 -7.561 1.00 0.00 C ATOM 0 H LEU 2 52 -5.485 5.399 -5.376 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.004 2.955 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -7.706 2.929 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.282 4.629 -6.736 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.842 2.332 -8.032 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -5.835 3.847 -9.967 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -7.480 3.547 -9.356 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -6.662 5.086 -8.995 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -3.888 3.769 -8.424 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -4.585 5.004 -7.349 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -4.123 3.414 -6.696 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.202 2.706 -4.241 1.00 0.00 N ATOM 1658 CA GLN 2 53 -2.991 1.914 -4.103 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.305 0.428 -4.288 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.415 -0.365 -4.590 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.320 2.169 -2.752 1.00 0.00 C ATOM 1662 CG GLN 2 53 -1.856 3.622 -2.636 1.00 0.00 C ATOM 1663 CD GLN 2 53 -0.878 3.976 -3.758 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -0.996 4.993 -4.422 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 0.092 3.084 -3.932 1.00 0.00 N ATOM 0 H GLN 2 53 -4.362 3.375 -3.488 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.291 2.217 -4.882 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.018 1.941 -1.946 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.467 1.501 -2.634 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -2.718 4.287 -2.677 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.378 3.779 -1.669 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 0.133 2.253 -3.341 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.795 3.230 -4.656 1.00 0.00 H new ATOM 1674 N GLU 2 54 -4.573 0.096 -4.098 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.016 -1.281 -4.240 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.278 -1.959 -5.396 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.095 -3.176 -5.393 1.00 0.00 O ATOM 1678 CB GLU 2 54 -6.531 -1.352 -4.440 1.00 0.00 C ATOM 1679 CG GLU 2 54 -6.933 -0.766 -5.794 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.265 -1.351 -6.271 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.188 -1.421 -5.432 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -8.329 -1.716 -7.466 1.00 0.00 O ATOM 0 H GLU 2 54 -5.308 0.757 -3.847 1.00 0.00 H new ATOM 0 HA GLU 2 54 -4.779 -1.815 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -6.862 -2.389 -4.376 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.033 -0.807 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.015 0.318 -5.715 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.156 -0.974 -6.530 1.00 0.00 H new ATOM 1689 N ALA 2 55 -3.873 -1.142 -6.357 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.160 -1.648 -7.518 1.00 0.00 C ATOM 1691 C ALA 2 55 -2.356 -2.887 -7.116 1.00 0.00 C ATOM 1692 O ALA 2 55 -2.562 -3.969 -7.663 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.276 -0.542 -8.096 1.00 0.00 C ATOM 0 H ALA 2 55 -4.025 -0.133 -6.356 1.00 0.00 H new ATOM 0 HA ALA 2 55 -3.860 -1.947 -8.298 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -1.741 -0.921 -8.967 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -2.897 0.303 -8.392 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -1.558 -0.218 -7.342 1.00 0.00 H new ATOM 1699 N GLU 2 56 -1.456 -2.686 -6.165 1.00 0.00 N ATOM 1700 CA GLU 2 56 -0.620 -3.773 -5.683 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.407 -3.650 -4.174 1.00 0.00 C ATOM 1702 O GLU 2 56 0.484 -4.288 -3.615 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.717 -3.804 -6.425 1.00 0.00 C ATOM 1704 CG GLU 2 56 0.787 -4.998 -7.382 1.00 0.00 C ATOM 1705 CD GLU 2 56 1.498 -4.618 -8.682 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 2.497 -3.875 -8.585 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 1.025 -5.080 -9.743 1.00 0.00 O ATOM 0 H GLU 2 56 -1.287 -1.786 -5.715 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.131 -4.715 -5.881 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.848 -2.877 -6.984 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 1.534 -3.861 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 1.315 -5.822 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -0.220 -5.350 -7.604 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.240 -2.826 -3.555 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.153 -2.612 -2.121 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.062 -3.629 -1.428 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.581 -4.552 -0.773 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.513 -1.174 -1.741 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.137 -0.201 -1.028 1.00 0.00 S ATOM 0 H CYS 2 57 -1.978 -2.299 -4.021 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.125 -2.760 -1.790 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.881 -0.660 -2.629 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.333 -1.197 -1.023 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.362 -3.425 -1.597 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.342 -4.314 -0.995 1.00 0.00 C ATOM 1726 C THR 2 58 -4.061 -5.764 -1.392 1.00 0.00 C ATOM 1727 O THR 2 58 -4.084 -6.658 -0.547 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.734 -3.829 -1.407 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.622 -4.592 -0.594 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.095 -4.234 -2.837 1.00 0.00 C ATOM 0 H THR 2 58 -3.758 -2.659 -2.141 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.282 -4.291 0.093 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.783 -2.744 -1.314 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.548 -4.340 -0.795 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.092 -3.865 -3.079 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.371 -3.805 -3.530 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.079 -5.321 -2.922 1.00 0.00 H new ATOM 1738 N PHE 2 59 -3.804 -5.953 -2.678 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.520 -7.280 -3.197 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.570 -8.041 -2.269 1.00 0.00 C ATOM 1741 O PHE 2 59 -1.810 -8.896 -2.719 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.844 -7.093 -4.557 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.698 -7.544 -5.743 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.175 -8.818 -5.794 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.982 -6.672 -6.748 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -4.968 -9.235 -6.895 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.774 -7.090 -7.849 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -5.251 -8.364 -7.899 1.00 0.00 C ATOM 0 H PHE 2 59 -3.787 -5.209 -3.376 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.444 -7.853 -3.277 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.591 -6.040 -4.684 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -1.907 -7.649 -4.565 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -3.950 -9.511 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.604 -5.661 -6.708 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -5.347 -10.246 -6.935 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -4.998 -6.398 -8.647 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.854 -8.682 -8.736 1.00 0.00 H new TER 1758 PHE 2 59