USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 655 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 : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.429 K(o=-0.43,f=-3.1!) USER MOD Single : A 4 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.75) USER MOD Single : A 7 MET CE :methyl -173:sc= 0 (180deg=-0.0962) USER MOD Single : A 8 GLN : amide:sc= 0.167 K(o=0.17,f=-7.2!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 138:sc= -0.208 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.515 K(o=-0.52,f=-2.1!) USER MOD Single : A 31 THR OG1 : rot -3:sc= -1 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 48 GLN : amide:sc= -3.5! C(o=-3.5!,f=-4.1!) USER MOD Single : A 49 MET CE :methyl 148:sc= 0 (180deg=-0.205) USER MOD Single : A 54 SER OG : rot 154:sc= -2.68! USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= -1.61 (180deg=-1.75) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0879 USER MOD Single : A 60 GLN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.880 21.642 -18.090 1.00 0.00 N ATOM 2 CA MET A 1 2.744 20.695 -18.230 1.00 0.00 C ATOM 3 C MET A 1 3.096 19.323 -17.666 1.00 0.00 C ATOM 4 O MET A 1 4.135 18.752 -17.999 1.00 0.00 O ATOM 5 CB MET A 1 2.387 20.580 -19.713 1.00 0.00 C ATOM 6 CG MET A 1 1.425 21.654 -20.194 1.00 0.00 C ATOM 7 SD MET A 1 0.768 21.315 -21.839 1.00 0.00 S ATOM 8 CE MET A 1 -0.987 21.521 -21.552 1.00 0.00 C ATOM 0 H1 MET A 1 3.611 22.567 -18.482 1.00 0.00 H new ATOM 0 H2 MET A 1 4.121 21.749 -17.084 1.00 0.00 H new ATOM 0 H3 MET A 1 4.705 21.274 -18.606 1.00 0.00 H new ATOM 0 HA MET A 1 1.892 21.073 -17.665 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.302 20.633 -20.303 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.946 19.600 -19.897 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.599 21.739 -19.488 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.937 22.616 -20.203 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.531 21.343 -22.480 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.318 20.809 -20.796 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.182 22.536 -21.206 1.00 0.00 H new ATOM 20 N ARG A 2 2.225 18.798 -16.811 1.00 0.00 N ATOM 21 CA ARG A 2 2.446 17.492 -16.200 1.00 0.00 C ATOM 22 C ARG A 2 3.726 17.491 -15.371 1.00 0.00 C ATOM 23 O ARG A 2 4.450 18.485 -15.326 1.00 0.00 O ATOM 24 CB ARG A 2 2.520 16.409 -17.277 1.00 0.00 C ATOM 25 CG ARG A 2 1.716 15.162 -16.943 1.00 0.00 C ATOM 26 CD ARG A 2 1.970 14.047 -17.944 1.00 0.00 C ATOM 27 NE ARG A 2 0.995 12.968 -17.822 1.00 0.00 N ATOM 28 CZ ARG A 2 1.151 11.769 -18.373 1.00 0.00 C ATOM 29 NH1 ARG A 2 2.240 11.500 -19.081 1.00 0.00 N ATOM 30 NH2 ARG A 2 0.220 10.838 -18.218 1.00 0.00 N ATOM 0 H ARG A 2 1.360 19.256 -16.525 1.00 0.00 H new ATOM 0 HA ARG A 2 1.606 17.279 -15.539 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.161 16.821 -18.220 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.563 16.129 -17.428 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.976 14.819 -15.942 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.654 15.406 -16.931 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.936 14.453 -18.955 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.973 13.647 -17.794 1.00 0.00 H new ATOM 0 HE ARG A 2 0.147 13.144 -17.284 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.958 12.214 -19.203 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.359 10.579 -19.504 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.619 11.041 -17.675 1.00 0.00 H new ATOM 0 HH22 ARG A 2 0.343 9.919 -18.642 1.00 0.00 H new ATOM 44 N GLN A 3 3.999 16.367 -14.715 1.00 0.00 N ATOM 45 CA GLN A 3 5.192 16.238 -13.885 1.00 0.00 C ATOM 46 C GLN A 3 5.088 17.114 -12.642 1.00 0.00 C ATOM 47 O GLN A 3 5.041 16.613 -11.518 1.00 0.00 O ATOM 48 CB GLN A 3 6.438 16.616 -14.686 1.00 0.00 C ATOM 49 CG GLN A 3 7.620 15.689 -14.448 1.00 0.00 C ATOM 50 CD GLN A 3 8.178 15.113 -15.733 1.00 0.00 C ATOM 51 OE1 GLN A 3 7.656 15.366 -16.819 1.00 0.00 O ATOM 52 NE2 GLN A 3 9.246 14.333 -15.618 1.00 0.00 N ATOM 0 H GLN A 3 3.411 15.534 -14.742 1.00 0.00 H new ATOM 0 HA GLN A 3 5.273 15.198 -13.568 1.00 0.00 H new ATOM 0 HB2 GLN A 3 6.192 16.612 -15.748 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.729 17.635 -14.430 1.00 0.00 H new ATOM 0 HG2 GLN A 3 8.407 16.236 -13.928 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.312 14.874 -13.793 1.00 0.00 H new ATOM 0 HE21 GLN A 3 9.647 14.149 -14.698 1.00 0.00 H new ATOM 0 HE22 GLN A 3 9.666 13.917 -16.449 1.00 0.00 H new ATOM 61 N GLN A 4 5.053 18.426 -12.851 1.00 0.00 N ATOM 62 CA GLN A 4 4.952 19.372 -11.746 1.00 0.00 C ATOM 63 C GLN A 4 3.503 19.524 -11.292 1.00 0.00 C ATOM 64 O GLN A 4 3.227 19.663 -10.100 1.00 0.00 O ATOM 65 CB GLN A 4 5.513 20.734 -12.159 1.00 0.00 C ATOM 66 CG GLN A 4 6.847 20.650 -12.882 1.00 0.00 C ATOM 67 CD GLN A 4 8.006 21.106 -12.019 1.00 0.00 C ATOM 68 OE1 GLN A 4 7.893 22.075 -11.268 1.00 0.00 O ATOM 69 NE2 GLN A 4 9.132 20.408 -12.123 1.00 0.00 N ATOM 0 H GLN A 4 5.093 18.858 -13.774 1.00 0.00 H new ATOM 0 HA GLN A 4 5.538 18.983 -10.913 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.791 21.234 -12.804 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.630 21.354 -11.270 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.019 19.622 -13.202 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.807 21.262 -13.783 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.182 19.612 -12.758 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.947 20.669 -11.567 1.00 0.00 H new ATOM 78 N LEU A 5 2.584 19.496 -12.251 1.00 0.00 N ATOM 79 CA LEU A 5 1.163 19.629 -11.951 1.00 0.00 C ATOM 80 C LEU A 5 0.738 18.636 -10.875 1.00 0.00 C ATOM 81 O LEU A 5 0.457 17.475 -11.168 1.00 0.00 O ATOM 82 CB LEU A 5 0.331 19.409 -13.216 1.00 0.00 C ATOM 83 CG LEU A 5 -0.084 20.686 -13.952 1.00 0.00 C ATOM 84 CD1 LEU A 5 -1.145 21.437 -13.160 1.00 0.00 C ATOM 85 CD2 LEU A 5 1.126 21.574 -14.205 1.00 0.00 C ATOM 0 H LEU A 5 2.797 19.382 -13.242 1.00 0.00 H new ATOM 0 HA LEU A 5 0.990 20.639 -11.579 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.900 18.782 -13.902 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.568 18.854 -12.949 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.510 20.406 -14.915 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.428 22.342 -13.698 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.021 20.802 -13.032 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.746 21.706 -12.182 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.812 22.477 -14.729 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.582 21.847 -13.253 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.852 21.035 -14.814 1.00 0.00 H new ATOM 97 N GLU A 6 0.704 19.102 -9.628 1.00 0.00 N ATOM 98 CA GLU A 6 0.301 18.271 -8.501 1.00 0.00 C ATOM 99 C GLU A 6 1.021 16.921 -8.507 1.00 0.00 C ATOM 100 O GLU A 6 2.079 16.774 -7.896 1.00 0.00 O ATOM 101 CB GLU A 6 -1.214 18.076 -8.520 1.00 0.00 C ATOM 102 CG GLU A 6 -1.725 17.131 -7.443 1.00 0.00 C ATOM 103 CD GLU A 6 -1.657 17.735 -6.055 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.025 18.918 -5.903 1.00 0.00 O ATOM 105 OE2 GLU A 6 -1.238 17.023 -5.118 1.00 0.00 O ATOM 0 H GLU A 6 0.953 20.058 -9.374 1.00 0.00 H new ATOM 0 HA GLU A 6 0.586 18.783 -7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.697 19.045 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.509 17.693 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.756 16.857 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.139 16.212 -7.464 1.00 0.00 H new ATOM 112 N MET A 7 0.443 15.934 -9.191 1.00 0.00 N ATOM 113 CA MET A 7 1.038 14.600 -9.268 1.00 0.00 C ATOM 114 C MET A 7 0.844 13.842 -7.960 1.00 0.00 C ATOM 115 O MET A 7 1.745 13.785 -7.123 1.00 0.00 O ATOM 116 CB MET A 7 2.531 14.691 -9.599 1.00 0.00 C ATOM 117 CG MET A 7 3.011 13.608 -10.551 1.00 0.00 C ATOM 118 SD MET A 7 4.400 12.668 -9.892 1.00 0.00 S ATOM 119 CE MET A 7 5.778 13.517 -10.660 1.00 0.00 C ATOM 0 H MET A 7 -0.436 16.033 -9.699 1.00 0.00 H new ATOM 0 HA MET A 7 0.532 14.056 -10.066 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.738 15.667 -10.038 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.104 14.630 -8.674 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.187 12.928 -10.766 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.303 14.065 -11.497 1.00 0.00 H new ATOM 0 HE1 MET A 7 6.701 12.977 -10.450 1.00 0.00 H new ATOM 0 HE2 MET A 7 5.622 13.563 -11.738 1.00 0.00 H new ATOM 0 HE3 MET A 7 5.851 14.528 -10.260 1.00 0.00 H new ATOM 129 N GLN A 8 -0.337 13.254 -7.794 1.00 0.00 N ATOM 130 CA GLN A 8 -0.650 12.496 -6.590 1.00 0.00 C ATOM 131 C GLN A 8 -0.163 11.056 -6.713 1.00 0.00 C ATOM 132 O GLN A 8 -0.910 10.170 -7.126 1.00 0.00 O ATOM 133 CB GLN A 8 -2.158 12.514 -6.331 1.00 0.00 C ATOM 134 CG GLN A 8 -2.761 13.909 -6.353 1.00 0.00 C ATOM 135 CD GLN A 8 -3.377 14.256 -7.694 1.00 0.00 C ATOM 136 OE1 GLN A 8 -2.695 14.262 -8.720 1.00 0.00 O ATOM 137 NE2 GLN A 8 -4.673 14.548 -7.694 1.00 0.00 N ATOM 0 H GLN A 8 -1.092 13.289 -8.479 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.137 12.965 -5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.655 11.900 -7.082 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.358 12.056 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.523 13.984 -5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.988 14.639 -6.112 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.200 14.531 -6.821 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.141 14.789 -8.567 1.00 0.00 H new ATOM 146 N LYS A 9 1.097 10.829 -6.355 1.00 0.00 N ATOM 147 CA LYS A 9 1.684 9.498 -6.427 1.00 0.00 C ATOM 148 C LYS A 9 2.934 9.402 -5.559 1.00 0.00 C ATOM 149 O LYS A 9 2.984 8.617 -4.611 1.00 0.00 O ATOM 150 CB LYS A 9 2.028 9.150 -7.878 1.00 0.00 C ATOM 151 CG LYS A 9 0.945 8.353 -8.585 1.00 0.00 C ATOM 152 CD LYS A 9 0.551 8.994 -9.906 1.00 0.00 C ATOM 153 CE LYS A 9 0.530 7.978 -11.035 1.00 0.00 C ATOM 154 NZ LYS A 9 0.751 8.617 -12.363 1.00 0.00 N ATOM 0 H LYS A 9 1.731 11.551 -6.012 1.00 0.00 H new ATOM 0 HA LYS A 9 0.951 8.785 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.209 10.072 -8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.957 8.580 -7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.298 7.337 -8.764 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.069 8.277 -7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.433 9.452 -9.810 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.252 9.793 -10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.300 7.227 -10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.428 7.458 -11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.729 7.890 -13.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.002 9.316 -12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.676 9.092 -12.370 1.00 0.00 H new ATOM 168 N LYS A 10 3.941 10.205 -5.886 1.00 0.00 N ATOM 169 CA LYS A 10 5.189 10.211 -5.134 1.00 0.00 C ATOM 170 C LYS A 10 4.935 10.549 -3.668 1.00 0.00 C ATOM 171 O LYS A 10 5.618 10.042 -2.777 1.00 0.00 O ATOM 172 CB LYS A 10 6.174 11.208 -5.748 1.00 0.00 C ATOM 173 CG LYS A 10 7.416 11.446 -4.903 1.00 0.00 C ATOM 174 CD LYS A 10 8.233 12.616 -5.431 1.00 0.00 C ATOM 175 CE LYS A 10 8.748 12.349 -6.836 1.00 0.00 C ATOM 176 NZ LYS A 10 9.574 13.476 -7.348 1.00 0.00 N ATOM 0 H LYS A 10 3.917 10.860 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 10 5.625 9.213 -5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.478 10.845 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.664 12.159 -5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.124 11.641 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.030 10.546 -4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.620 13.517 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.074 12.804 -4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.341 11.434 -6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.905 12.183 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.906 13.255 -8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.001 14.344 -7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.393 13.618 -6.723 1.00 0.00 H new ATOM 190 N GLN A 11 3.935 11.391 -3.421 1.00 0.00 N ATOM 191 CA GLN A 11 3.584 11.772 -2.060 1.00 0.00 C ATOM 192 C GLN A 11 3.347 10.525 -1.217 1.00 0.00 C ATOM 193 O GLN A 11 3.766 10.451 -0.062 1.00 0.00 O ATOM 194 CB GLN A 11 2.335 12.655 -2.056 1.00 0.00 C ATOM 195 CG GLN A 11 2.636 14.136 -1.887 1.00 0.00 C ATOM 196 CD GLN A 11 1.444 14.921 -1.375 1.00 0.00 C ATOM 197 OE1 GLN A 11 0.547 15.278 -2.138 1.00 0.00 O ATOM 198 NE2 GLN A 11 1.432 15.196 -0.076 1.00 0.00 N ATOM 0 H GLN A 11 3.357 11.820 -4.144 1.00 0.00 H new ATOM 0 HA GLN A 11 4.410 12.340 -1.632 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.793 12.507 -2.990 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.675 12.333 -1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.469 14.256 -1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.954 14.549 -2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.198 14.880 0.519 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.657 15.723 0.327 1.00 0.00 H new ATOM 207 N ILE A 12 2.707 9.532 -1.824 1.00 0.00 N ATOM 208 CA ILE A 12 2.451 8.267 -1.162 1.00 0.00 C ATOM 209 C ILE A 12 3.752 7.516 -0.921 1.00 0.00 C ATOM 210 O ILE A 12 3.968 6.941 0.145 1.00 0.00 O ATOM 211 CB ILE A 12 1.513 7.376 -1.999 1.00 0.00 C ATOM 212 CG1 ILE A 12 0.370 8.208 -2.593 1.00 0.00 C ATOM 213 CG2 ILE A 12 0.978 6.254 -1.145 1.00 0.00 C ATOM 214 CD1 ILE A 12 -0.758 7.385 -3.192 1.00 0.00 C ATOM 0 H ILE A 12 2.355 9.584 -2.780 1.00 0.00 H new ATOM 0 HA ILE A 12 1.972 8.493 -0.209 1.00 0.00 H new ATOM 0 HB ILE A 12 2.076 6.944 -2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.039 8.850 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.776 8.862 -3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.315 5.627 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.808 5.653 -0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.424 6.670 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.524 8.052 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.367 6.762 -3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.194 6.750 -2.421 1.00 0.00 H new ATOM 226 N MET A 13 4.611 7.520 -1.935 1.00 0.00 N ATOM 227 CA MET A 13 5.889 6.826 -1.866 1.00 0.00 C ATOM 228 C MET A 13 6.687 7.257 -0.645 1.00 0.00 C ATOM 229 O MET A 13 7.482 6.486 -0.106 1.00 0.00 O ATOM 230 CB MET A 13 6.697 7.090 -3.137 1.00 0.00 C ATOM 231 CG MET A 13 7.912 6.190 -3.286 1.00 0.00 C ATOM 232 SD MET A 13 8.969 6.676 -4.664 1.00 0.00 S ATOM 233 CE MET A 13 10.305 5.494 -4.502 1.00 0.00 C ATOM 0 H MET A 13 4.442 8.000 -2.819 1.00 0.00 H new ATOM 0 HA MET A 13 5.688 5.758 -1.779 1.00 0.00 H new ATOM 0 HB2 MET A 13 6.049 6.957 -4.003 1.00 0.00 H new ATOM 0 HB3 MET A 13 7.024 8.130 -3.140 1.00 0.00 H new ATOM 0 HG2 MET A 13 8.491 6.212 -2.363 1.00 0.00 H new ATOM 0 HG3 MET A 13 7.582 5.161 -3.431 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.041 5.667 -5.287 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.779 5.612 -3.527 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.909 4.483 -4.593 1.00 0.00 H new ATOM 243 N MET A 14 6.483 8.495 -0.219 1.00 0.00 N ATOM 244 CA MET A 14 7.198 9.034 0.921 1.00 0.00 C ATOM 245 C MET A 14 6.601 8.537 2.240 1.00 0.00 C ATOM 246 O MET A 14 7.241 8.636 3.287 1.00 0.00 O ATOM 247 CB MET A 14 7.179 10.568 0.857 1.00 0.00 C ATOM 248 CG MET A 14 7.528 11.256 2.165 1.00 0.00 C ATOM 249 SD MET A 14 8.082 12.956 1.936 1.00 0.00 S ATOM 250 CE MET A 14 8.792 13.300 3.543 1.00 0.00 C ATOM 0 H MET A 14 5.825 9.145 -0.650 1.00 0.00 H new ATOM 0 HA MET A 14 8.230 8.685 0.882 1.00 0.00 H new ATOM 0 HB2 MET A 14 7.880 10.896 0.090 1.00 0.00 H new ATOM 0 HB3 MET A 14 6.188 10.894 0.543 1.00 0.00 H new ATOM 0 HG2 MET A 14 6.655 11.248 2.818 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.310 10.689 2.671 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.179 14.319 3.559 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.026 13.191 4.310 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.604 12.600 3.739 1.00 0.00 H new ATOM 260 N GLN A 15 5.375 8.017 2.198 1.00 0.00 N ATOM 261 CA GLN A 15 4.722 7.548 3.417 1.00 0.00 C ATOM 262 C GLN A 15 4.826 6.031 3.579 1.00 0.00 C ATOM 263 O GLN A 15 5.206 5.554 4.644 1.00 0.00 O ATOM 264 CB GLN A 15 3.253 7.967 3.419 1.00 0.00 C ATOM 265 CG GLN A 15 3.049 9.472 3.488 1.00 0.00 C ATOM 266 CD GLN A 15 2.703 9.952 4.884 1.00 0.00 C ATOM 267 OE1 GLN A 15 3.501 10.625 5.537 1.00 0.00 O ATOM 268 NE2 GLN A 15 1.506 9.613 5.346 1.00 0.00 N ATOM 0 H GLN A 15 4.822 7.911 1.347 1.00 0.00 H new ATOM 0 HA GLN A 15 5.239 8.007 4.260 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.774 7.585 2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.752 7.502 4.268 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.956 9.973 3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.252 9.758 2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.877 9.054 4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.215 9.912 6.277 1.00 0.00 H new ATOM 277 N ILE A 16 4.536 5.285 2.507 1.00 0.00 N ATOM 278 CA ILE A 16 4.624 3.817 2.529 1.00 0.00 C ATOM 279 C ILE A 16 4.216 3.210 1.186 1.00 0.00 C ATOM 280 O ILE A 16 3.539 2.183 1.145 1.00 0.00 O ATOM 281 CB ILE A 16 3.742 3.171 3.629 1.00 0.00 C ATOM 282 CG1 ILE A 16 2.432 3.954 3.810 1.00 0.00 C ATOM 283 CG2 ILE A 16 4.514 3.049 4.938 1.00 0.00 C ATOM 284 CD1 ILE A 16 1.706 3.668 5.109 1.00 0.00 C ATOM 0 H ILE A 16 4.238 5.672 1.612 1.00 0.00 H new ATOM 0 HA ILE A 16 5.671 3.601 2.744 1.00 0.00 H new ATOM 0 HB ILE A 16 3.477 2.163 3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.650 5.021 3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.767 3.723 2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.876 2.593 5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.396 2.427 4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.823 4.040 5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.793 4.262 5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.452 2.609 5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.349 3.927 5.950 1.00 0.00 H new ATOM 296 N LEU A 17 4.620 3.836 0.087 1.00 0.00 N ATOM 297 CA LEU A 17 4.269 3.321 -1.232 1.00 0.00 C ATOM 298 C LEU A 17 5.513 2.985 -2.047 1.00 0.00 C ATOM 299 O LEU A 17 6.436 3.790 -2.164 1.00 0.00 O ATOM 300 CB LEU A 17 3.388 4.331 -1.977 1.00 0.00 C ATOM 301 CG LEU A 17 3.172 4.072 -3.474 1.00 0.00 C ATOM 302 CD1 LEU A 17 4.263 4.746 -4.294 1.00 0.00 C ATOM 303 CD2 LEU A 17 3.113 2.579 -3.774 1.00 0.00 C ATOM 0 H LEU A 17 5.182 4.687 0.080 1.00 0.00 H new ATOM 0 HA LEU A 17 3.706 2.397 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.413 4.358 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.830 5.321 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 17 2.212 4.504 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.094 4.552 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.242 5.821 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.235 4.348 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.959 2.428 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.050 2.110 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.288 2.129 -3.222 1.00 0.00 H new ATOM 315 N THR A 18 5.534 1.777 -2.598 1.00 0.00 N ATOM 316 CA THR A 18 6.650 1.329 -3.418 1.00 0.00 C ATOM 317 C THR A 18 6.173 0.976 -4.822 1.00 0.00 C ATOM 318 O THR A 18 5.075 0.448 -4.996 1.00 0.00 O ATOM 319 CB THR A 18 7.330 0.116 -2.779 1.00 0.00 C ATOM 320 OG1 THR A 18 6.376 -0.714 -2.140 1.00 0.00 O ATOM 321 CG2 THR A 18 8.378 0.485 -1.752 1.00 0.00 C ATOM 0 H THR A 18 4.788 1.090 -2.491 1.00 0.00 H new ATOM 0 HA THR A 18 7.372 2.143 -3.486 1.00 0.00 H new ATOM 0 HB THR A 18 7.821 -0.404 -3.601 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.579 -1.653 -2.331 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.819 -0.423 -1.340 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.156 1.084 -2.225 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.915 1.060 -0.950 1.00 0.00 H new ATOM 329 N PRO A 19 6.996 1.247 -5.847 1.00 0.00 N ATOM 330 CA PRO A 19 6.648 0.927 -7.232 1.00 0.00 C ATOM 331 C PRO A 19 6.135 -0.500 -7.364 1.00 0.00 C ATOM 332 O PRO A 19 5.315 -0.803 -8.231 1.00 0.00 O ATOM 333 CB PRO A 19 7.974 1.095 -7.974 1.00 0.00 C ATOM 334 CG PRO A 19 8.730 2.096 -7.170 1.00 0.00 C ATOM 335 CD PRO A 19 8.331 1.864 -5.736 1.00 0.00 C ATOM 0 HA PRO A 19 5.850 1.560 -7.621 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.514 0.150 -8.040 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.816 1.444 -8.994 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.805 1.970 -7.301 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.487 3.111 -7.483 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.035 1.208 -5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.297 2.797 -5.173 1.00 0.00 H new ATOM 343 N GLU A 20 6.621 -1.373 -6.486 1.00 0.00 N ATOM 344 CA GLU A 20 6.211 -2.770 -6.485 1.00 0.00 C ATOM 345 C GLU A 20 4.795 -2.924 -5.940 1.00 0.00 C ATOM 346 O GLU A 20 4.044 -3.793 -6.379 1.00 0.00 O ATOM 347 CB GLU A 20 7.180 -3.605 -5.645 1.00 0.00 C ATOM 348 CG GLU A 20 8.241 -4.318 -6.467 1.00 0.00 C ATOM 349 CD GLU A 20 9.255 -5.044 -5.604 1.00 0.00 C ATOM 350 OE1 GLU A 20 8.863 -6.007 -4.911 1.00 0.00 O ATOM 351 OE2 GLU A 20 10.439 -4.648 -5.618 1.00 0.00 O ATOM 0 H GLU A 20 7.301 -1.134 -5.765 1.00 0.00 H new ATOM 0 HA GLU A 20 6.227 -3.126 -7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.670 -2.956 -4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.613 -4.344 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.759 -5.032 -7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.757 -3.592 -7.096 1.00 0.00 H new ATOM 358 N ALA A 21 4.441 -2.085 -4.971 1.00 0.00 N ATOM 359 CA ALA A 21 3.117 -2.142 -4.359 1.00 0.00 C ATOM 360 C ALA A 21 2.022 -1.964 -5.405 1.00 0.00 C ATOM 361 O ALA A 21 1.082 -2.756 -5.473 1.00 0.00 O ATOM 362 CB ALA A 21 2.989 -1.090 -3.270 1.00 0.00 C ATOM 0 H ALA A 21 5.050 -1.359 -4.593 1.00 0.00 H new ATOM 0 HA ALA A 21 2.996 -3.127 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.996 -1.147 -2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.742 -1.268 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.137 -0.100 -3.701 1.00 0.00 H new ATOM 368 N ARG A 22 2.151 -0.924 -6.223 1.00 0.00 N ATOM 369 CA ARG A 22 1.172 -0.654 -7.269 1.00 0.00 C ATOM 370 C ARG A 22 1.172 -1.771 -8.308 1.00 0.00 C ATOM 371 O ARG A 22 0.120 -2.304 -8.666 1.00 0.00 O ATOM 372 CB ARG A 22 1.467 0.687 -7.945 1.00 0.00 C ATOM 373 CG ARG A 22 1.485 1.866 -6.988 1.00 0.00 C ATOM 374 CD ARG A 22 1.303 3.185 -7.723 1.00 0.00 C ATOM 375 NE ARG A 22 1.987 3.194 -9.012 1.00 0.00 N ATOM 376 CZ ARG A 22 1.664 4.006 -10.014 1.00 0.00 C ATOM 377 NH1 ARG A 22 0.670 4.874 -9.877 1.00 0.00 N ATOM 378 NH2 ARG A 22 2.335 3.951 -11.157 1.00 0.00 N ATOM 0 H ARG A 22 2.921 -0.257 -6.182 1.00 0.00 H new ATOM 0 HA ARG A 22 0.186 -0.607 -6.807 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.432 0.625 -8.448 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.717 0.868 -8.715 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.692 1.748 -6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.429 1.879 -6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.240 3.371 -7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.683 3.999 -7.106 1.00 0.00 H new ATOM 0 HE ARG A 22 2.757 2.540 -9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.150 4.920 -9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.425 5.495 -10.648 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.100 3.285 -11.268 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.086 4.574 -11.925 1.00 0.00 H new ATOM 392 N SER A 23 2.362 -2.127 -8.785 1.00 0.00 N ATOM 393 CA SER A 23 2.504 -3.187 -9.777 1.00 0.00 C ATOM 394 C SER A 23 2.061 -4.529 -9.204 1.00 0.00 C ATOM 395 O SER A 23 1.560 -5.390 -9.927 1.00 0.00 O ATOM 396 CB SER A 23 3.955 -3.275 -10.251 1.00 0.00 C ATOM 397 OG SER A 23 4.028 -3.327 -11.665 1.00 0.00 O ATOM 0 H SER A 23 3.242 -1.696 -8.500 1.00 0.00 H new ATOM 0 HA SER A 23 1.865 -2.947 -10.627 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.513 -2.412 -9.887 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.426 -4.162 -9.827 1.00 0.00 H new ATOM 0 HG SER A 23 4.966 -3.381 -11.942 1.00 0.00 H new ATOM 403 N ARG A 24 2.252 -4.700 -7.900 1.00 0.00 N ATOM 404 CA ARG A 24 1.867 -5.931 -7.224 1.00 0.00 C ATOM 405 C ARG A 24 0.361 -6.146 -7.331 1.00 0.00 C ATOM 406 O ARG A 24 -0.098 -7.189 -7.798 1.00 0.00 O ATOM 407 CB ARG A 24 2.293 -5.878 -5.750 1.00 0.00 C ATOM 408 CG ARG A 24 1.637 -6.940 -4.877 1.00 0.00 C ATOM 409 CD ARG A 24 2.639 -7.614 -3.955 1.00 0.00 C ATOM 410 NE ARG A 24 2.822 -9.025 -4.281 1.00 0.00 N ATOM 411 CZ ARG A 24 3.397 -9.902 -3.465 1.00 0.00 C ATOM 412 NH1 ARG A 24 3.845 -9.511 -2.280 1.00 0.00 N ATOM 413 NH2 ARG A 24 3.525 -11.169 -3.833 1.00 0.00 N ATOM 0 H ARG A 24 2.672 -3.999 -7.290 1.00 0.00 H new ATOM 0 HA ARG A 24 2.372 -6.768 -7.706 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.375 -5.992 -5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.053 -4.893 -5.348 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.846 -6.483 -4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.165 -7.691 -5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.597 -7.099 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.301 -7.522 -2.923 1.00 0.00 H new ATOM 0 HE ARG A 24 2.490 -9.357 -5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.748 -8.537 -1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.286 -10.185 -1.654 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.182 -11.473 -4.744 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.967 -11.840 -3.205 1.00 0.00 H new ATOM 427 N LEU A 25 -0.399 -5.149 -6.898 1.00 0.00 N ATOM 428 CA LEU A 25 -1.852 -5.224 -6.945 1.00 0.00 C ATOM 429 C LEU A 25 -2.322 -5.600 -8.342 1.00 0.00 C ATOM 430 O LEU A 25 -3.069 -6.562 -8.521 1.00 0.00 O ATOM 431 CB LEU A 25 -2.458 -3.883 -6.525 1.00 0.00 C ATOM 432 CG LEU A 25 -3.780 -3.979 -5.762 1.00 0.00 C ATOM 433 CD1 LEU A 25 -3.526 -4.278 -4.292 1.00 0.00 C ATOM 434 CD2 LEU A 25 -4.573 -2.692 -5.916 1.00 0.00 C ATOM 0 H LEU A 25 -0.033 -4.279 -6.510 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.185 -5.996 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.735 -3.354 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.615 -3.277 -7.418 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.365 -4.797 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.477 -4.343 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.995 -5.225 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.924 -3.480 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.511 -2.775 -5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.994 -1.858 -5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.784 -2.518 -6.971 1.00 0.00 H new ATOM 446 N ALA A 26 -1.853 -4.852 -9.330 1.00 0.00 N ATOM 447 CA ALA A 26 -2.193 -5.128 -10.718 1.00 0.00 C ATOM 448 C ALA A 26 -1.758 -6.534 -11.104 1.00 0.00 C ATOM 449 O ALA A 26 -2.389 -7.193 -11.930 1.00 0.00 O ATOM 450 CB ALA A 26 -1.529 -4.110 -11.630 1.00 0.00 C ATOM 0 H ALA A 26 -1.237 -4.050 -9.197 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.275 -5.055 -10.831 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.790 -4.325 -12.666 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.873 -3.109 -11.370 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.447 -4.164 -11.509 1.00 0.00 H new ATOM 456 N ASN A 27 -0.651 -6.972 -10.516 1.00 0.00 N ATOM 457 CA ASN A 27 -0.098 -8.290 -10.789 1.00 0.00 C ATOM 458 C ASN A 27 -0.942 -9.390 -10.161 1.00 0.00 C ATOM 459 O ASN A 27 -1.157 -10.439 -10.761 1.00 0.00 O ATOM 460 CB ASN A 27 1.325 -8.366 -10.242 1.00 0.00 C ATOM 461 CG ASN A 27 1.947 -9.738 -10.421 1.00 0.00 C ATOM 462 OD1 ASN A 27 1.518 -10.711 -9.801 1.00 0.00 O ATOM 463 ND2 ASN A 27 2.963 -9.821 -11.271 1.00 0.00 N ATOM 0 H ASN A 27 -0.115 -6.426 -9.841 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.095 -8.440 -11.869 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.944 -7.622 -10.745 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.317 -8.110 -9.182 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.421 -10.718 -11.432 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.285 -8.988 -11.763 1.00 0.00 H new ATOM 470 N LEU A 28 -1.380 -9.156 -8.931 1.00 0.00 N ATOM 471 CA LEU A 28 -2.168 -10.133 -8.189 1.00 0.00 C ATOM 472 C LEU A 28 -3.587 -10.250 -8.736 1.00 0.00 C ATOM 473 O LEU A 28 -4.261 -11.259 -8.536 1.00 0.00 O ATOM 474 CB LEU A 28 -2.200 -9.766 -6.713 1.00 0.00 C ATOM 475 CG LEU A 28 -1.349 -10.663 -5.813 1.00 0.00 C ATOM 476 CD1 LEU A 28 -0.366 -9.832 -5.005 1.00 0.00 C ATOM 477 CD2 LEU A 28 -2.236 -11.491 -4.896 1.00 0.00 C ATOM 0 H LEU A 28 -1.201 -8.290 -8.422 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.689 -11.105 -8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.861 -8.736 -6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.233 -9.801 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.779 -11.344 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.230 -10.488 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.291 -9.286 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.913 -9.125 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.614 -12.124 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.834 -10.827 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.897 -12.116 -5.496 1.00 0.00 H new ATOM 489 N ARG A 29 -4.050 -9.199 -9.394 1.00 0.00 N ATOM 490 CA ARG A 29 -5.411 -9.165 -9.919 1.00 0.00 C ATOM 491 C ARG A 29 -5.730 -10.435 -10.705 1.00 0.00 C ATOM 492 O ARG A 29 -6.881 -10.870 -10.748 1.00 0.00 O ATOM 493 CB ARG A 29 -5.588 -7.944 -10.826 1.00 0.00 C ATOM 494 CG ARG A 29 -6.836 -7.132 -10.527 1.00 0.00 C ATOM 495 CD ARG A 29 -6.512 -5.655 -10.372 1.00 0.00 C ATOM 496 NE ARG A 29 -6.233 -5.019 -11.657 1.00 0.00 N ATOM 497 CZ ARG A 29 -7.165 -4.758 -12.568 1.00 0.00 C ATOM 498 NH1 ARG A 29 -8.431 -5.075 -12.335 1.00 0.00 N ATOM 499 NH2 ARG A 29 -6.832 -4.178 -13.712 1.00 0.00 N ATOM 0 H ARG A 29 -3.505 -8.357 -9.579 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.098 -9.100 -9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.714 -7.300 -10.726 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.622 -8.276 -11.864 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.560 -7.265 -11.331 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.302 -7.502 -9.614 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.349 -5.149 -9.891 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.650 -5.540 -9.715 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.269 -4.761 -11.867 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.692 -5.520 -11.455 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.144 -4.874 -13.036 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.859 -3.931 -13.894 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.548 -3.978 -14.410 1.00 0.00 H new ATOM 513 N LEU A 30 -4.710 -11.037 -11.303 1.00 0.00 N ATOM 514 CA LEU A 30 -4.894 -12.256 -12.071 1.00 0.00 C ATOM 515 C LEU A 30 -4.797 -13.499 -11.183 1.00 0.00 C ATOM 516 O LEU A 30 -5.212 -14.585 -11.587 1.00 0.00 O ATOM 517 CB LEU A 30 -3.857 -12.334 -13.191 1.00 0.00 C ATOM 518 CG LEU A 30 -2.424 -11.973 -12.791 1.00 0.00 C ATOM 519 CD1 LEU A 30 -1.972 -12.816 -11.610 1.00 0.00 C ATOM 520 CD2 LEU A 30 -1.482 -12.160 -13.971 1.00 0.00 C ATOM 0 H LEU A 30 -3.748 -10.699 -11.270 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.894 -12.229 -12.504 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.859 -13.347 -13.594 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.168 -11.670 -13.997 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.402 -10.925 -12.493 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.951 -12.546 -11.340 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.632 -12.637 -10.761 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.008 -13.871 -11.881 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.467 -11.899 -13.671 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.509 -13.200 -14.296 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.795 -11.515 -14.792 1.00 0.00 H new ATOM 532 N THR A 31 -4.244 -13.342 -9.980 1.00 0.00 N ATOM 533 CA THR A 31 -4.104 -14.466 -9.059 1.00 0.00 C ATOM 534 C THR A 31 -5.365 -14.644 -8.216 1.00 0.00 C ATOM 535 O THR A 31 -6.219 -15.470 -8.541 1.00 0.00 O ATOM 536 CB THR A 31 -2.879 -14.280 -8.157 1.00 0.00 C ATOM 537 OG1 THR A 31 -2.852 -12.976 -7.604 1.00 0.00 O ATOM 538 CG2 THR A 31 -1.568 -14.505 -8.881 1.00 0.00 C ATOM 0 H THR A 31 -3.889 -12.454 -9.624 1.00 0.00 H new ATOM 0 HA THR A 31 -3.962 -15.369 -9.653 1.00 0.00 H new ATOM 0 HB THR A 31 -2.978 -15.033 -7.375 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.603 -12.455 -7.958 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.740 -14.358 -8.188 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.538 -15.522 -9.272 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.481 -13.797 -9.705 1.00 0.00 H new ATOM 546 N ARG A 32 -5.490 -13.868 -7.141 1.00 0.00 N ATOM 547 CA ARG A 32 -6.670 -13.959 -6.286 1.00 0.00 C ATOM 548 C ARG A 32 -7.512 -12.687 -6.370 1.00 0.00 C ATOM 549 O ARG A 32 -7.002 -11.584 -6.176 1.00 0.00 O ATOM 550 CB ARG A 32 -6.259 -14.200 -4.830 1.00 0.00 C ATOM 551 CG ARG A 32 -5.022 -15.071 -4.681 1.00 0.00 C ATOM 552 CD ARG A 32 -4.911 -15.649 -3.280 1.00 0.00 C ATOM 553 NE ARG A 32 -4.882 -17.109 -3.291 1.00 0.00 N ATOM 554 CZ ARG A 32 -3.804 -17.820 -3.608 1.00 0.00 C ATOM 555 NH1 ARG A 32 -2.675 -17.206 -3.937 1.00 0.00 N ATOM 556 NH2 ARG A 32 -3.855 -19.145 -3.595 1.00 0.00 N ATOM 0 H ARG A 32 -4.799 -13.179 -6.845 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.268 -14.799 -6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.076 -13.239 -4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.088 -14.668 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.058 -15.882 -5.408 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.132 -14.482 -4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.006 -15.272 -2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.754 -15.308 -2.679 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.735 -17.610 -3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.633 -16.187 -3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.849 -17.753 -4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.722 -19.620 -3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.028 -19.690 -3.838 1.00 0.00 H new ATOM 570 N PRO A 33 -8.826 -12.824 -6.631 1.00 0.00 N ATOM 571 CA PRO A 33 -9.743 -11.683 -6.682 1.00 0.00 C ATOM 572 C PRO A 33 -10.039 -11.115 -5.297 1.00 0.00 C ATOM 573 O PRO A 33 -10.534 -9.995 -5.167 1.00 0.00 O ATOM 574 CB PRO A 33 -11.009 -12.278 -7.295 1.00 0.00 C ATOM 575 CG PRO A 33 -10.983 -13.708 -6.885 1.00 0.00 C ATOM 576 CD PRO A 33 -9.531 -14.103 -6.847 1.00 0.00 C ATOM 0 HA PRO A 33 -9.328 -10.849 -7.248 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.903 -11.775 -6.926 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.011 -12.176 -8.380 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.449 -13.843 -5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.537 -14.326 -7.591 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.330 -14.812 -6.044 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.221 -14.579 -7.777 1.00 0.00 H new ATOM 584 N ASP A 34 -9.783 -11.918 -4.265 1.00 0.00 N ATOM 585 CA ASP A 34 -10.061 -11.514 -2.892 1.00 0.00 C ATOM 586 C ASP A 34 -9.117 -10.411 -2.437 1.00 0.00 C ATOM 587 O ASP A 34 -9.545 -9.399 -1.882 1.00 0.00 O ATOM 588 CB ASP A 34 -9.943 -12.718 -1.955 1.00 0.00 C ATOM 589 CG ASP A 34 -11.234 -13.510 -1.867 1.00 0.00 C ATOM 590 OD1 ASP A 34 -12.313 -12.883 -1.832 1.00 0.00 O ATOM 591 OD2 ASP A 34 -11.164 -14.756 -1.834 1.00 0.00 O ATOM 0 H ASP A 34 -9.383 -12.852 -4.356 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.079 -11.126 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.143 -13.370 -2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.662 -12.374 -0.960 1.00 0.00 H new ATOM 596 N PHE A 35 -7.830 -10.617 -2.672 1.00 0.00 N ATOM 597 CA PHE A 35 -6.815 -9.651 -2.282 1.00 0.00 C ATOM 598 C PHE A 35 -7.144 -8.263 -2.836 1.00 0.00 C ATOM 599 O PHE A 35 -7.202 -7.287 -2.092 1.00 0.00 O ATOM 600 CB PHE A 35 -5.432 -10.147 -2.757 1.00 0.00 C ATOM 601 CG PHE A 35 -4.457 -9.075 -3.171 1.00 0.00 C ATOM 602 CD1 PHE A 35 -3.701 -8.399 -2.229 1.00 0.00 C ATOM 603 CD2 PHE A 35 -4.301 -8.751 -4.506 1.00 0.00 C ATOM 604 CE1 PHE A 35 -2.795 -7.427 -2.615 1.00 0.00 C ATOM 605 CE2 PHE A 35 -3.405 -7.778 -4.900 1.00 0.00 C ATOM 606 CZ PHE A 35 -2.651 -7.113 -3.953 1.00 0.00 C ATOM 0 H PHE A 35 -7.463 -11.449 -3.133 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.795 -9.560 -1.196 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.981 -10.731 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.579 -10.823 -3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.820 -8.633 -1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.889 -9.267 -5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.202 -6.915 -1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.294 -7.537 -5.947 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.951 -6.349 -4.257 1.00 0.00 H new ATOM 616 N VAL A 36 -7.351 -8.187 -4.142 1.00 0.00 N ATOM 617 CA VAL A 36 -7.622 -6.915 -4.797 1.00 0.00 C ATOM 618 C VAL A 36 -8.887 -6.243 -4.265 1.00 0.00 C ATOM 619 O VAL A 36 -8.884 -5.049 -3.996 1.00 0.00 O ATOM 620 CB VAL A 36 -7.752 -7.085 -6.325 1.00 0.00 C ATOM 621 CG1 VAL A 36 -8.008 -5.744 -6.996 1.00 0.00 C ATOM 622 CG2 VAL A 36 -6.505 -7.741 -6.897 1.00 0.00 C ATOM 0 H VAL A 36 -7.337 -8.991 -4.770 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.769 -6.276 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.604 -7.734 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.096 -5.887 -8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.932 -5.315 -6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.179 -5.068 -6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.615 -7.853 -7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.636 -7.119 -6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.369 -8.722 -6.443 1.00 0.00 H new ATOM 632 N GLU A 37 -9.973 -6.999 -4.145 1.00 0.00 N ATOM 633 CA GLU A 37 -11.254 -6.427 -3.730 1.00 0.00 C ATOM 634 C GLU A 37 -11.168 -5.720 -2.375 1.00 0.00 C ATOM 635 O GLU A 37 -11.487 -4.531 -2.262 1.00 0.00 O ATOM 636 CB GLU A 37 -12.320 -7.524 -3.669 1.00 0.00 C ATOM 637 CG GLU A 37 -12.740 -8.039 -5.037 1.00 0.00 C ATOM 638 CD GLU A 37 -13.580 -9.298 -4.953 1.00 0.00 C ATOM 639 OE1 GLU A 37 -13.028 -10.358 -4.587 1.00 0.00 O ATOM 640 OE2 GLU A 37 -14.790 -9.227 -5.254 1.00 0.00 O ATOM 0 H GLU A 37 -9.995 -8.002 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.527 -5.678 -4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.940 -8.357 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.197 -7.138 -3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.305 -7.264 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.851 -8.239 -5.635 1.00 0.00 H new ATOM 647 N GLN A 38 -10.686 -6.429 -1.361 1.00 0.00 N ATOM 648 CA GLN A 38 -10.574 -5.855 -0.025 1.00 0.00 C ATOM 649 C GLN A 38 -9.481 -4.797 0.011 1.00 0.00 C ATOM 650 O GLN A 38 -9.707 -3.654 0.430 1.00 0.00 O ATOM 651 CB GLN A 38 -10.279 -6.950 1.001 1.00 0.00 C ATOM 652 CG GLN A 38 -10.020 -6.421 2.402 1.00 0.00 C ATOM 653 CD GLN A 38 -11.110 -6.808 3.383 1.00 0.00 C ATOM 654 OE1 GLN A 38 -12.124 -6.120 3.505 1.00 0.00 O ATOM 655 NE2 GLN A 38 -10.905 -7.912 4.091 1.00 0.00 N ATOM 0 H GLN A 38 -10.368 -7.395 -1.437 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.524 -5.383 0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.121 -7.642 1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.411 -7.520 0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.063 -6.802 2.759 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.937 -5.335 2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.050 -8.452 3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.603 -8.220 4.768 1.00 0.00 H new ATOM 664 N ILE A 39 -8.301 -5.172 -0.460 1.00 0.00 N ATOM 665 CA ILE A 39 -7.185 -4.250 -0.503 1.00 0.00 C ATOM 666 C ILE A 39 -7.563 -3.006 -1.302 1.00 0.00 C ATOM 667 O ILE A 39 -7.273 -1.896 -0.885 1.00 0.00 O ATOM 668 CB ILE A 39 -5.916 -4.909 -1.089 1.00 0.00 C ATOM 669 CG1 ILE A 39 -5.418 -6.006 -0.117 1.00 0.00 C ATOM 670 CG2 ILE A 39 -4.842 -3.854 -1.370 1.00 0.00 C ATOM 671 CD1 ILE A 39 -3.913 -6.168 -0.036 1.00 0.00 C ATOM 0 H ILE A 39 -8.096 -6.106 -0.816 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.954 -3.959 0.522 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.150 -5.380 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.797 -5.783 0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.853 -6.959 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.956 -4.337 -1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.225 -3.127 -2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.579 -3.346 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.670 -6.961 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.521 -6.427 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.464 -5.233 0.299 1.00 0.00 H new ATOM 683 N GLU A 40 -8.258 -3.191 -2.422 1.00 0.00 N ATOM 684 CA GLU A 40 -8.659 -2.057 -3.251 1.00 0.00 C ATOM 685 C GLU A 40 -9.393 -1.022 -2.415 1.00 0.00 C ATOM 686 O GLU A 40 -9.054 0.160 -2.441 1.00 0.00 O ATOM 687 CB GLU A 40 -9.554 -2.503 -4.410 1.00 0.00 C ATOM 688 CG GLU A 40 -8.782 -2.956 -5.639 1.00 0.00 C ATOM 689 CD GLU A 40 -8.824 -1.938 -6.763 1.00 0.00 C ATOM 690 OE1 GLU A 40 -8.559 -0.748 -6.495 1.00 0.00 O ATOM 691 OE2 GLU A 40 -9.119 -2.333 -7.910 1.00 0.00 O ATOM 0 H GLU A 40 -8.552 -4.102 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.752 -1.615 -3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.192 -3.319 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.211 -1.679 -4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.744 -3.144 -5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.194 -3.901 -5.994 1.00 0.00 H new ATOM 698 N LEU A 41 -10.389 -1.469 -1.658 1.00 0.00 N ATOM 699 CA LEU A 41 -11.155 -0.564 -0.811 1.00 0.00 C ATOM 700 C LEU A 41 -10.227 0.290 0.051 1.00 0.00 C ATOM 701 O LEU A 41 -10.300 1.521 0.033 1.00 0.00 O ATOM 702 CB LEU A 41 -12.114 -1.353 0.082 1.00 0.00 C ATOM 703 CG LEU A 41 -13.116 -2.235 -0.664 1.00 0.00 C ATOM 704 CD1 LEU A 41 -13.498 -3.440 0.182 1.00 0.00 C ATOM 705 CD2 LEU A 41 -14.351 -1.432 -1.044 1.00 0.00 C ATOM 0 H LEU A 41 -10.683 -2.445 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.733 0.096 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.528 -1.982 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.666 -0.650 0.706 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.646 -2.595 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.212 -4.057 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.606 -4.027 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.950 -3.101 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.054 -2.075 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.824 -1.043 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.061 -0.602 -1.688 1.00 0.00 H new ATOM 717 N GLN A 42 -9.327 -0.371 0.774 1.00 0.00 N ATOM 718 CA GLN A 42 -8.384 0.332 1.645 1.00 0.00 C ATOM 719 C GLN A 42 -7.315 1.061 0.833 1.00 0.00 C ATOM 720 O GLN A 42 -6.830 2.121 1.230 1.00 0.00 O ATOM 721 CB GLN A 42 -7.719 -0.655 2.607 1.00 0.00 C ATOM 722 CG GLN A 42 -8.209 -0.531 4.041 1.00 0.00 C ATOM 723 CD GLN A 42 -9.031 -1.726 4.484 1.00 0.00 C ATOM 724 OE1 GLN A 42 -8.628 -2.474 5.374 1.00 0.00 O ATOM 725 NE2 GLN A 42 -10.189 -1.912 3.862 1.00 0.00 N ATOM 0 H GLN A 42 -9.229 -1.386 0.776 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.944 1.073 2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.902 -1.671 2.256 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.640 -0.500 2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.352 -0.418 4.705 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.809 0.374 4.139 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.484 -1.266 3.129 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.784 -2.700 4.117 1.00 0.00 H new ATOM 734 N LEU A 43 -6.944 0.473 -0.297 1.00 0.00 N ATOM 735 CA LEU A 43 -5.913 1.027 -1.167 1.00 0.00 C ATOM 736 C LEU A 43 -6.400 2.287 -1.877 1.00 0.00 C ATOM 737 O LEU A 43 -5.729 3.319 -1.862 1.00 0.00 O ATOM 738 CB LEU A 43 -5.494 -0.026 -2.200 1.00 0.00 C ATOM 739 CG LEU A 43 -4.108 0.169 -2.810 1.00 0.00 C ATOM 740 CD1 LEU A 43 -3.969 1.578 -3.364 1.00 0.00 C ATOM 741 CD2 LEU A 43 -3.029 -0.125 -1.777 1.00 0.00 C ATOM 0 H LEU A 43 -7.348 -0.400 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.057 1.301 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.529 -1.008 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.229 -0.033 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.984 -0.532 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.976 1.703 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.723 1.742 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.108 2.301 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.046 0.018 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.143 0.551 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.124 -1.155 -1.434 1.00 0.00 H new ATOM 753 N ILE A 44 -7.565 2.192 -2.508 1.00 0.00 N ATOM 754 CA ILE A 44 -8.134 3.317 -3.239 1.00 0.00 C ATOM 755 C ILE A 44 -8.391 4.509 -2.322 1.00 0.00 C ATOM 756 O ILE A 44 -8.126 5.653 -2.690 1.00 0.00 O ATOM 757 CB ILE A 44 -9.452 2.930 -3.936 1.00 0.00 C ATOM 758 CG1 ILE A 44 -9.943 4.077 -4.821 1.00 0.00 C ATOM 759 CG2 ILE A 44 -10.508 2.560 -2.906 1.00 0.00 C ATOM 760 CD1 ILE A 44 -11.183 3.738 -5.620 1.00 0.00 C ATOM 0 H ILE A 44 -8.134 1.346 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.399 3.598 -3.993 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.269 2.061 -4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.150 4.945 -4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.146 4.362 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.433 2.289 -3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.158 1.714 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.690 3.411 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.473 4.598 -6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.975 2.890 -6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.995 3.482 -4.940 1.00 0.00 H new ATOM 772 N GLN A 45 -8.913 4.239 -1.129 1.00 0.00 N ATOM 773 CA GLN A 45 -9.218 5.301 -0.178 1.00 0.00 C ATOM 774 C GLN A 45 -7.946 5.931 0.384 1.00 0.00 C ATOM 775 O GLN A 45 -7.894 7.137 0.622 1.00 0.00 O ATOM 776 CB GLN A 45 -10.076 4.753 0.965 1.00 0.00 C ATOM 777 CG GLN A 45 -11.191 5.694 1.392 1.00 0.00 C ATOM 778 CD GLN A 45 -12.040 5.122 2.511 1.00 0.00 C ATOM 779 OE1 GLN A 45 -12.282 3.916 2.569 1.00 0.00 O ATOM 780 NE2 GLN A 45 -12.499 5.987 3.408 1.00 0.00 N ATOM 0 H GLN A 45 -9.132 3.299 -0.800 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.772 6.075 -0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.512 3.802 0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.436 4.548 1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.758 6.640 1.716 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.826 5.912 0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.274 6.978 3.322 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.076 5.660 4.183 1.00 0.00 H new ATOM 789 N LEU A 46 -6.929 5.105 0.614 1.00 0.00 N ATOM 790 CA LEU A 46 -5.672 5.581 1.185 1.00 0.00 C ATOM 791 C LEU A 46 -4.881 6.439 0.199 1.00 0.00 C ATOM 792 O LEU A 46 -4.472 7.552 0.526 1.00 0.00 O ATOM 793 CB LEU A 46 -4.818 4.396 1.638 1.00 0.00 C ATOM 794 CG LEU A 46 -4.967 4.019 3.113 1.00 0.00 C ATOM 795 CD1 LEU A 46 -6.404 3.627 3.420 1.00 0.00 C ATOM 796 CD2 LEU A 46 -4.014 2.891 3.475 1.00 0.00 C ATOM 0 H LEU A 46 -6.950 4.105 0.414 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.922 6.206 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.074 3.529 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.771 4.626 1.441 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.712 4.889 3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.492 3.362 4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.065 4.466 3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.687 2.772 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.135 2.637 4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.236 2.017 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.987 3.210 3.294 1.00 0.00 H new ATOM 808 N ALA A 47 -4.649 5.912 -1.000 1.00 0.00 N ATOM 809 CA ALA A 47 -3.868 6.623 -2.005 1.00 0.00 C ATOM 810 C ALA A 47 -4.561 7.906 -2.456 1.00 0.00 C ATOM 811 O ALA A 47 -3.961 8.980 -2.448 1.00 0.00 O ATOM 812 CB ALA A 47 -3.596 5.719 -3.197 1.00 0.00 C ATOM 0 H ALA A 47 -4.990 4.998 -1.298 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.919 6.906 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.012 6.262 -3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.039 4.841 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.542 5.404 -3.638 1.00 0.00 H new ATOM 818 N GLN A 48 -5.821 7.787 -2.857 1.00 0.00 N ATOM 819 CA GLN A 48 -6.584 8.938 -3.327 1.00 0.00 C ATOM 820 C GLN A 48 -6.574 10.066 -2.298 1.00 0.00 C ATOM 821 O GLN A 48 -6.769 11.232 -2.640 1.00 0.00 O ATOM 822 CB GLN A 48 -8.023 8.526 -3.639 1.00 0.00 C ATOM 823 CG GLN A 48 -8.132 7.541 -4.789 1.00 0.00 C ATOM 824 CD GLN A 48 -9.563 7.124 -5.067 1.00 0.00 C ATOM 825 OE1 GLN A 48 -10.420 7.175 -4.184 1.00 0.00 O ATOM 826 NE2 GLN A 48 -9.830 6.710 -6.300 1.00 0.00 N ATOM 0 H GLN A 48 -6.336 6.907 -2.866 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.111 9.306 -4.238 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.468 8.083 -2.748 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.605 9.417 -3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.707 7.989 -5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.537 6.656 -4.562 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.089 6.684 -7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.776 6.418 -6.546 1.00 0.00 H new ATOM 835 N MET A 49 -6.340 9.712 -1.038 1.00 0.00 N ATOM 836 CA MET A 49 -6.302 10.698 0.036 1.00 0.00 C ATOM 837 C MET A 49 -5.063 11.580 -0.077 1.00 0.00 C ATOM 838 O MET A 49 -4.042 11.165 -0.628 1.00 0.00 O ATOM 839 CB MET A 49 -6.321 9.999 1.396 1.00 0.00 C ATOM 840 CG MET A 49 -7.713 9.864 1.992 1.00 0.00 C ATOM 841 SD MET A 49 -7.687 9.272 3.695 1.00 0.00 S ATOM 842 CE MET A 49 -9.173 10.034 4.340 1.00 0.00 C ATOM 0 H MET A 49 -6.174 8.752 -0.736 1.00 0.00 H new ATOM 0 HA MET A 49 -7.185 11.331 -0.054 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.882 9.007 1.291 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.690 10.555 2.090 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.215 10.831 1.956 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.300 9.177 1.382 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.612 9.389 5.101 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.925 10.999 4.782 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.889 10.179 3.531 1.00 0.00 H new ATOM 852 N GLY A 50 -5.159 12.799 0.446 1.00 0.00 N ATOM 853 CA GLY A 50 -4.038 13.719 0.390 1.00 0.00 C ATOM 854 C GLY A 50 -3.779 14.403 1.718 1.00 0.00 C ATOM 855 O GLY A 50 -4.007 15.605 1.859 1.00 0.00 O ATOM 0 H GLY A 50 -5.992 13.165 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.143 13.177 0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.230 14.474 -0.372 1.00 0.00 H new ATOM 859 N ARG A 51 -3.299 13.638 2.693 1.00 0.00 N ATOM 860 CA ARG A 51 -3.004 14.181 4.015 1.00 0.00 C ATOM 861 C ARG A 51 -1.965 13.328 4.735 1.00 0.00 C ATOM 862 O ARG A 51 -0.797 13.706 4.831 1.00 0.00 O ATOM 863 CB ARG A 51 -4.282 14.265 4.852 1.00 0.00 C ATOM 864 CG ARG A 51 -4.733 15.691 5.128 1.00 0.00 C ATOM 865 CD ARG A 51 -5.665 15.761 6.328 1.00 0.00 C ATOM 866 NE ARG A 51 -6.155 17.117 6.561 1.00 0.00 N ATOM 867 CZ ARG A 51 -5.451 18.057 7.183 1.00 0.00 C ATOM 868 NH1 ARG A 51 -4.233 17.787 7.634 1.00 0.00 N ATOM 869 NH2 ARG A 51 -5.964 19.267 7.356 1.00 0.00 N ATOM 0 H ARG A 51 -3.106 12.641 2.593 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.597 15.184 3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.081 13.733 4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.120 13.753 5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.861 16.321 5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.240 16.089 4.249 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.511 15.092 6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.141 15.407 7.216 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.089 17.356 6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.835 16.857 7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.694 18.510 8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.901 19.478 7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.422 19.987 7.834 1.00 0.00 H new ATOM 883 N VAL A 52 -2.396 12.176 5.239 1.00 0.00 N ATOM 884 CA VAL A 52 -1.499 11.273 5.953 1.00 0.00 C ATOM 885 C VAL A 52 -1.877 9.815 5.710 1.00 0.00 C ATOM 886 O VAL A 52 -1.617 8.949 6.547 1.00 0.00 O ATOM 887 CB VAL A 52 -1.511 11.551 7.469 1.00 0.00 C ATOM 888 CG1 VAL A 52 -0.777 12.846 7.779 1.00 0.00 C ATOM 889 CG2 VAL A 52 -2.938 11.598 7.993 1.00 0.00 C ATOM 0 H VAL A 52 -3.358 11.846 5.167 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.496 11.453 5.567 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.992 10.736 7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.795 13.026 8.854 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.257 12.768 7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.265 13.673 7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.926 11.795 9.065 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.486 12.391 7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.426 10.642 7.806 1.00 0.00 H new ATOM 899 N ARG A 53 -2.485 9.549 4.559 1.00 0.00 N ATOM 900 CA ARG A 53 -2.892 8.193 4.202 1.00 0.00 C ATOM 901 C ARG A 53 -2.290 7.782 2.862 1.00 0.00 C ATOM 902 O ARG A 53 -2.594 8.374 1.826 1.00 0.00 O ATOM 903 CB ARG A 53 -4.417 8.095 4.144 1.00 0.00 C ATOM 904 CG ARG A 53 -5.105 8.548 5.423 1.00 0.00 C ATOM 905 CD ARG A 53 -6.178 7.563 5.858 1.00 0.00 C ATOM 906 NE ARG A 53 -7.172 8.185 6.729 1.00 0.00 N ATOM 907 CZ ARG A 53 -6.990 8.379 8.031 1.00 0.00 C ATOM 908 NH1 ARG A 53 -5.857 8.002 8.609 1.00 0.00 N ATOM 909 NH2 ARG A 53 -7.941 8.950 8.759 1.00 0.00 N ATOM 0 H ARG A 53 -2.707 10.254 3.856 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.522 7.513 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.780 8.699 3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.699 7.063 3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.366 8.656 6.216 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.552 9.530 5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.673 7.154 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.712 6.726 6.379 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.054 8.487 6.315 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.123 7.562 8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.720 8.152 9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.814 9.241 8.319 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.799 9.098 9.758 1.00 0.00 H new ATOM 923 N SER A 54 -1.427 6.772 2.890 1.00 0.00 N ATOM 924 CA SER A 54 -0.770 6.291 1.680 1.00 0.00 C ATOM 925 C SER A 54 -1.100 4.817 1.430 1.00 0.00 C ATOM 926 O SER A 54 -1.312 4.054 2.373 1.00 0.00 O ATOM 927 CB SER A 54 0.750 6.501 1.794 1.00 0.00 C ATOM 928 OG SER A 54 1.472 5.302 1.563 1.00 0.00 O ATOM 0 H SER A 54 -1.166 6.270 3.739 1.00 0.00 H new ATOM 0 HA SER A 54 -1.140 6.862 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.066 7.258 1.076 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.990 6.883 2.786 1.00 0.00 H new ATOM 0 HG SER A 54 2.369 5.519 1.234 1.00 0.00 H new ATOM 934 N LYS A 55 -1.118 4.417 0.158 1.00 0.00 N ATOM 935 CA LYS A 55 -1.411 3.043 -0.205 1.00 0.00 C ATOM 936 C LYS A 55 -0.407 2.084 0.428 1.00 0.00 C ATOM 937 O LYS A 55 0.765 2.418 0.605 1.00 0.00 O ATOM 938 CB LYS A 55 -1.434 2.895 -1.728 1.00 0.00 C ATOM 939 CG LYS A 55 -0.074 2.677 -2.367 1.00 0.00 C ATOM 940 CD LYS A 55 -0.215 2.320 -3.835 1.00 0.00 C ATOM 941 CE LYS A 55 0.123 0.858 -4.090 1.00 0.00 C ATOM 942 NZ LYS A 55 -0.932 0.176 -4.887 1.00 0.00 N ATOM 0 H LYS A 55 -0.932 5.031 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.397 2.784 0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.080 2.057 -1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.883 3.790 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.529 3.579 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.454 1.880 -1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.235 2.521 -4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.442 2.955 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.075 0.792 -4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.249 0.343 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.641 -0.803 -5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.823 0.172 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.070 0.682 -5.785 1.00 0.00 H new ATOM 956 N ILE A 56 -0.888 0.906 0.795 1.00 0.00 N ATOM 957 CA ILE A 56 -0.060 -0.093 1.452 1.00 0.00 C ATOM 958 C ILE A 56 1.065 -0.583 0.541 1.00 0.00 C ATOM 959 O ILE A 56 0.880 -0.739 -0.665 1.00 0.00 O ATOM 960 CB ILE A 56 -0.909 -1.300 1.891 1.00 0.00 C ATOM 961 CG1 ILE A 56 -2.058 -0.843 2.793 1.00 0.00 C ATOM 962 CG2 ILE A 56 -0.048 -2.326 2.604 1.00 0.00 C ATOM 963 CD1 ILE A 56 -3.320 -1.660 2.626 1.00 0.00 C ATOM 0 H ILE A 56 -1.855 0.617 0.647 1.00 0.00 H new ATOM 0 HA ILE A 56 0.381 0.386 2.326 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.332 -1.767 1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.736 -0.896 3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.281 0.203 2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.665 -3.172 2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.737 -2.672 1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.403 -1.872 3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.091 -1.280 3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.667 -1.587 1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.113 -2.703 2.866 1.00 0.00 H new ATOM 975 N THR A 57 2.232 -0.822 1.137 1.00 0.00 N ATOM 976 CA THR A 57 3.399 -1.290 0.394 1.00 0.00 C ATOM 977 C THR A 57 3.289 -2.778 0.077 1.00 0.00 C ATOM 978 O THR A 57 2.524 -3.504 0.713 1.00 0.00 O ATOM 979 CB THR A 57 4.675 -1.023 1.195 1.00 0.00 C ATOM 980 OG1 THR A 57 4.386 -0.931 2.579 1.00 0.00 O ATOM 981 CG2 THR A 57 5.387 0.248 0.785 1.00 0.00 C ATOM 0 H THR A 57 2.394 -0.698 2.136 1.00 0.00 H new ATOM 0 HA THR A 57 3.441 -0.742 -0.547 1.00 0.00 H new ATOM 0 HB THR A 57 5.331 -1.867 0.984 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.214 -0.762 3.076 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.283 0.376 1.393 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.668 0.185 -0.266 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.724 1.100 0.933 1.00 0.00 H new ATOM 989 N ASP A 58 4.063 -3.226 -0.907 1.00 0.00 N ATOM 990 CA ASP A 58 4.063 -4.630 -1.302 1.00 0.00 C ATOM 991 C ASP A 58 4.333 -5.526 -0.100 1.00 0.00 C ATOM 992 O ASP A 58 3.815 -6.640 -0.015 1.00 0.00 O ATOM 993 CB ASP A 58 5.115 -4.877 -2.385 1.00 0.00 C ATOM 994 CG ASP A 58 6.479 -4.342 -2.002 1.00 0.00 C ATOM 995 OD1 ASP A 58 7.055 -4.838 -1.010 1.00 0.00 O ATOM 996 OD2 ASP A 58 6.975 -3.428 -2.694 1.00 0.00 O ATOM 0 H ASP A 58 4.698 -2.637 -1.445 1.00 0.00 H new ATOM 0 HA ASP A 58 3.079 -4.872 -1.703 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.189 -5.947 -2.577 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.792 -4.408 -3.314 1.00 0.00 H new ATOM 1001 N GLU A 59 5.139 -5.030 0.832 1.00 0.00 N ATOM 1002 CA GLU A 59 5.459 -5.779 2.038 1.00 0.00 C ATOM 1003 C GLU A 59 4.212 -5.974 2.892 1.00 0.00 C ATOM 1004 O GLU A 59 3.869 -7.096 3.263 1.00 0.00 O ATOM 1005 CB GLU A 59 6.533 -5.048 2.845 1.00 0.00 C ATOM 1006 CG GLU A 59 6.782 -5.656 4.216 1.00 0.00 C ATOM 1007 CD GLU A 59 7.746 -4.838 5.053 1.00 0.00 C ATOM 1008 OE1 GLU A 59 8.602 -4.145 4.465 1.00 0.00 O ATOM 1009 OE2 GLU A 59 7.645 -4.891 6.296 1.00 0.00 O ATOM 0 H GLU A 59 5.582 -4.113 0.774 1.00 0.00 H new ATOM 0 HA GLU A 59 5.839 -6.757 1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.465 -5.051 2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.238 -4.006 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.834 -5.747 4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.178 -6.664 4.095 1.00 0.00 H new ATOM 1016 N GLN A 60 3.531 -4.872 3.189 1.00 0.00 N ATOM 1017 CA GLN A 60 2.310 -4.927 3.980 1.00 0.00 C ATOM 1018 C GLN A 60 1.195 -5.587 3.179 1.00 0.00 C ATOM 1019 O GLN A 60 0.392 -6.345 3.722 1.00 0.00 O ATOM 1020 CB GLN A 60 1.893 -3.524 4.418 1.00 0.00 C ATOM 1021 CG GLN A 60 2.555 -3.069 5.708 1.00 0.00 C ATOM 1022 CD GLN A 60 1.574 -2.441 6.678 1.00 0.00 C ATOM 1023 OE1 GLN A 60 1.490 -2.838 7.840 1.00 0.00 O ATOM 1024 NE2 GLN A 60 0.824 -1.452 6.204 1.00 0.00 N ATOM 0 H GLN A 60 3.804 -3.934 2.895 1.00 0.00 H new ATOM 0 HA GLN A 60 2.500 -5.523 4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.137 -2.817 3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.811 -3.499 4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.036 -3.923 6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.340 -2.350 5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.926 -1.154 5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.146 -0.990 6.810 1.00 0.00 H new ATOM 1033 N LEU A 61 1.170 -5.318 1.876 1.00 0.00 N ATOM 1034 CA LEU A 61 0.186 -5.929 0.994 1.00 0.00 C ATOM 1035 C LEU A 61 0.300 -7.444 1.067 1.00 0.00 C ATOM 1036 O LEU A 61 -0.698 -8.149 1.210 1.00 0.00 O ATOM 1037 CB LEU A 61 0.391 -5.468 -0.450 1.00 0.00 C ATOM 1038 CG LEU A 61 -0.138 -4.070 -0.772 1.00 0.00 C ATOM 1039 CD1 LEU A 61 0.315 -3.641 -2.159 1.00 0.00 C ATOM 1040 CD2 LEU A 61 -1.654 -4.038 -0.671 1.00 0.00 C ATOM 0 H LEU A 61 1.819 -4.683 1.411 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.807 -5.620 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.457 -5.495 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.093 -6.184 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 61 0.268 -3.368 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.069 -2.644 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.404 -3.627 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.065 -4.344 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.013 -3.035 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.081 -4.749 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.957 -4.306 0.341 1.00 0.00 H new ATOM 1052 N LYS A 62 1.532 -7.933 0.982 1.00 0.00 N ATOM 1053 CA LYS A 62 1.790 -9.362 1.062 1.00 0.00 C ATOM 1054 C LYS A 62 1.173 -9.933 2.332 1.00 0.00 C ATOM 1055 O LYS A 62 0.400 -10.892 2.283 1.00 0.00 O ATOM 1056 CB LYS A 62 3.293 -9.630 1.039 1.00 0.00 C ATOM 1057 CG LYS A 62 3.654 -11.093 1.233 1.00 0.00 C ATOM 1058 CD LYS A 62 4.043 -11.383 2.673 1.00 0.00 C ATOM 1059 CE LYS A 62 4.876 -12.649 2.781 1.00 0.00 C ATOM 1060 NZ LYS A 62 4.827 -13.232 4.151 1.00 0.00 N ATOM 0 H LYS A 62 2.366 -7.359 0.858 1.00 0.00 H new ATOM 0 HA LYS A 62 1.336 -9.850 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.700 -9.287 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.771 -9.040 1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.807 -11.719 0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.480 -11.356 0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.606 -10.541 3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.144 -11.485 3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.515 -13.383 2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.910 -12.426 2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.408 -14.094 4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.195 -12.541 4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.843 -13.468 4.393 1.00 0.00 H new ATOM 1074 N GLU A 63 1.487 -9.314 3.468 1.00 0.00 N ATOM 1075 CA GLU A 63 0.899 -9.723 4.733 1.00 0.00 C ATOM 1076 C GLU A 63 -0.613 -9.625 4.633 1.00 0.00 C ATOM 1077 O GLU A 63 -1.345 -10.439 5.196 1.00 0.00 O ATOM 1078 CB GLU A 63 1.413 -8.855 5.876 1.00 0.00 C ATOM 1079 CG GLU A 63 2.880 -8.475 5.741 1.00 0.00 C ATOM 1080 CD GLU A 63 3.582 -8.377 7.082 1.00 0.00 C ATOM 1081 OE1 GLU A 63 2.900 -8.098 8.090 1.00 0.00 O ATOM 1082 OE2 GLU A 63 4.814 -8.579 7.121 1.00 0.00 O ATOM 0 H GLU A 63 2.141 -8.534 3.535 1.00 0.00 H new ATOM 0 HA GLU A 63 1.185 -10.754 4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.814 -7.946 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.269 -9.386 6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.388 -9.215 5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.958 -7.519 5.223 1.00 0.00 H new ATOM 1089 N LEU A 64 -1.071 -8.632 3.877 1.00 0.00 N ATOM 1090 CA LEU A 64 -2.492 -8.447 3.639 1.00 0.00 C ATOM 1091 C LEU A 64 -3.028 -9.601 2.800 1.00 0.00 C ATOM 1092 O LEU A 64 -4.172 -10.026 2.964 1.00 0.00 O ATOM 1093 CB LEU A 64 -2.748 -7.115 2.936 1.00 0.00 C ATOM 1094 CG LEU A 64 -3.739 -6.188 3.647 1.00 0.00 C ATOM 1095 CD1 LEU A 64 -3.353 -4.729 3.443 1.00 0.00 C ATOM 1096 CD2 LEU A 64 -5.161 -6.441 3.161 1.00 0.00 C ATOM 0 H LEU A 64 -0.474 -7.943 3.419 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.011 -8.433 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.799 -6.591 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.119 -7.317 1.931 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.701 -6.406 4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.070 -4.088 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.356 -4.556 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.356 -4.497 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.847 -5.772 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.217 -6.258 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.437 -7.475 3.367 1.00 0.00 H new ATOM 1108 N LEU A 65 -2.179 -10.122 1.915 1.00 0.00 N ATOM 1109 CA LEU A 65 -2.547 -11.249 1.071 1.00 0.00 C ATOM 1110 C LEU A 65 -2.953 -12.439 1.927 1.00 0.00 C ATOM 1111 O LEU A 65 -3.974 -13.083 1.682 1.00 0.00 O ATOM 1112 CB LEU A 65 -1.381 -11.635 0.168 1.00 0.00 C ATOM 1113 CG LEU A 65 -1.740 -11.784 -1.303 1.00 0.00 C ATOM 1114 CD1 LEU A 65 -1.640 -10.442 -1.993 1.00 0.00 C ATOM 1115 CD2 LEU A 65 -0.838 -12.809 -1.968 1.00 0.00 C ATOM 0 H LEU A 65 -1.230 -9.778 1.767 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.393 -10.955 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.600 -10.881 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.960 -12.576 0.523 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.767 -12.140 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.898 -10.554 -3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.328 -9.739 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.621 -10.064 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.108 -12.903 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.200 -12.487 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.958 -13.774 -1.475 1.00 0.00 H new ATOM 1127 N LYS A 66 -2.141 -12.729 2.935 1.00 0.00 N ATOM 1128 CA LYS A 66 -2.445 -13.804 3.864 1.00 0.00 C ATOM 1129 C LYS A 66 -3.711 -13.462 4.639 1.00 0.00 C ATOM 1130 O LYS A 66 -4.488 -14.341 5.011 1.00 0.00 O ATOM 1131 CB LYS A 66 -1.275 -14.020 4.824 1.00 0.00 C ATOM 1132 CG LYS A 66 -0.463 -15.269 4.521 1.00 0.00 C ATOM 1133 CD LYS A 66 0.640 -14.983 3.515 1.00 0.00 C ATOM 1134 CE LYS A 66 1.959 -15.608 3.940 1.00 0.00 C ATOM 1135 NZ LYS A 66 1.971 -17.081 3.723 1.00 0.00 N ATOM 0 H LYS A 66 -1.270 -12.235 3.128 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.606 -14.727 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.618 -13.151 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.658 -14.084 5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.026 -15.653 5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.120 -16.046 4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.351 -15.370 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.765 -13.906 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.774 -15.152 3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.139 -15.395 4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.887 -17.469 4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.209 -17.520 4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.825 -17.284 2.714 1.00 0.00 H new ATOM 1149 N ARG A 67 -3.915 -12.165 4.853 1.00 0.00 N ATOM 1150 CA ARG A 67 -5.092 -11.666 5.550 1.00 0.00 C ATOM 1151 C ARG A 67 -6.344 -11.876 4.708 1.00 0.00 C ATOM 1152 O ARG A 67 -7.312 -12.499 5.143 1.00 0.00 O ATOM 1153 CB ARG A 67 -4.918 -10.187 5.819 1.00 0.00 C ATOM 1154 CG ARG A 67 -4.462 -9.848 7.225 1.00 0.00 C ATOM 1155 CD ARG A 67 -3.611 -8.586 7.227 1.00 0.00 C ATOM 1156 NE ARG A 67 -3.499 -8.002 8.561 1.00 0.00 N ATOM 1157 CZ ARG A 67 -2.713 -8.491 9.515 1.00 0.00 C ATOM 1158 NH1 ARG A 67 -1.971 -9.566 9.281 1.00 0.00 N ATOM 1159 NH2 ARG A 67 -2.667 -7.903 10.702 1.00 0.00 N ATOM 0 H ARG A 67 -3.271 -11.435 4.549 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.203 -12.211 6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.194 -9.785 5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.865 -9.683 5.627 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.330 -9.708 7.870 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.889 -10.679 7.637 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.616 -8.820 6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.047 -7.854 6.547 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.055 -7.173 8.772 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.003 -10.019 8.368 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.369 -9.939 10.015 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.235 -7.075 10.883 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.064 -8.278 11.434 1.00 0.00 H new ATOM 1173 N VAL A 68 -6.279 -11.392 3.472 1.00 0.00 N ATOM 1174 CA VAL A 68 -7.385 -11.489 2.537 1.00 0.00 C ATOM 1175 C VAL A 68 -7.569 -12.917 2.031 1.00 0.00 C ATOM 1176 O VAL A 68 -8.694 -13.402 1.912 1.00 0.00 O ATOM 1177 CB VAL A 68 -7.166 -10.550 1.335 1.00 0.00 C ATOM 1178 CG1 VAL A 68 -7.434 -9.106 1.732 1.00 0.00 C ATOM 1179 CG2 VAL A 68 -5.766 -10.703 0.760 1.00 0.00 C ATOM 0 H VAL A 68 -5.456 -10.922 3.094 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.285 -11.191 3.074 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.874 -10.831 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.275 -8.456 0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.464 -9.008 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.756 -8.817 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.644 -10.027 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.030 -10.461 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.620 -11.731 0.427 1.00 0.00 H new ATOM 1189 N ALA A 69 -6.459 -13.582 1.725 1.00 0.00 N ATOM 1190 CA ALA A 69 -6.504 -14.950 1.222 1.00 0.00 C ATOM 1191 C ALA A 69 -6.942 -15.924 2.311 1.00 0.00 C ATOM 1192 O ALA A 69 -6.318 -16.011 3.368 1.00 0.00 O ATOM 1193 CB ALA A 69 -5.145 -15.352 0.666 1.00 0.00 C ATOM 0 H ALA A 69 -5.519 -13.196 1.816 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.240 -14.991 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.192 -16.375 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.873 -14.682 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.396 -15.287 1.455 1.00 0.00 H new ATOM 1199 N GLY A 70 -8.018 -16.657 2.043 1.00 0.00 N ATOM 1200 CA GLY A 70 -8.519 -17.618 3.008 1.00 0.00 C ATOM 1201 C GLY A 70 -7.474 -18.645 3.398 1.00 0.00 C ATOM 1202 O GLY A 70 -6.284 -18.455 3.147 1.00 0.00 O ATOM 0 H GLY A 70 -8.552 -16.603 1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.857 -17.090 3.900 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.388 -18.128 2.591 1.00 0.00 H new ATOM 1206 N LYS A 71 -7.920 -19.735 4.012 1.00 0.00 N ATOM 1207 CA LYS A 71 -7.013 -20.797 4.436 1.00 0.00 C ATOM 1208 C LYS A 71 -6.810 -21.816 3.320 1.00 0.00 C ATOM 1209 O LYS A 71 -7.619 -21.910 2.397 1.00 0.00 O ATOM 1210 CB LYS A 71 -7.559 -21.493 5.684 1.00 0.00 C ATOM 1211 CG LYS A 71 -7.005 -20.932 6.984 1.00 0.00 C ATOM 1212 CD LYS A 71 -5.689 -21.593 7.362 1.00 0.00 C ATOM 1213 CE LYS A 71 -4.718 -20.592 7.967 1.00 0.00 C ATOM 1214 NZ LYS A 71 -3.711 -20.126 6.974 1.00 0.00 N ATOM 0 H LYS A 71 -8.902 -19.907 4.227 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.049 -20.346 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.645 -21.405 5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.326 -22.556 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.857 -19.857 6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.731 -21.081 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.875 -22.397 8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.241 -22.047 6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.272 -19.736 8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.207 -21.048 8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.068 -19.445 7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.165 -20.940 6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.196 -19.668 6.176 1.00 0.00 H new ATOM 1228 N LYS A 72 -5.725 -22.578 3.411 1.00 0.00 N ATOM 1229 CA LYS A 72 -5.416 -23.590 2.408 1.00 0.00 C ATOM 1230 C LYS A 72 -4.769 -24.812 3.050 1.00 0.00 C ATOM 1231 O LYS A 72 -5.061 -25.940 2.601 1.00 0.00 O ATOM 1232 CB LYS A 72 -4.490 -23.010 1.338 1.00 0.00 C ATOM 1233 CG LYS A 72 -4.921 -23.338 -0.082 1.00 0.00 C ATOM 1234 CD LYS A 72 -3.724 -23.529 -0.998 1.00 0.00 C ATOM 1235 CE LYS A 72 -3.972 -22.932 -2.373 1.00 0.00 C ATOM 1236 NZ LYS A 72 -2.741 -22.934 -3.210 1.00 0.00 N ATOM 0 H LYS A 72 -5.045 -22.514 4.169 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.350 -23.900 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.447 -21.927 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.481 -23.388 1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.526 -24.244 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.550 -22.535 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.845 -23.063 -0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.506 -24.592 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.755 -23.497 -2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.336 -21.910 -2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.953 -22.519 -4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.001 -22.374 -2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.408 -23.911 -3.335 1.00 0.00 H new TER 1250 LYS A 72