USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot -150:sc= 0.85 USER MOD Set 1.2: A 41 GLN : amide:sc= 0.78 K(o=1.6,f=-1) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 1.26 (180deg=0.185) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= 1.06 (180deg=0.834) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= -0.0904 (180deg=-0.598) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 144:sc= 0.898 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0249) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0182 K(o=-0.018,f=-0.55) USER MOD Single : A 32 GLN : amide:sc= -0.301 K(o=-0.3,f=-0.85) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.51 K(o=0.51,f=-0.27) USER MOD Single : A 44 THR OG1 : rot 85:sc= 0.837 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0601 USER MOD Single : A 48 GLN : amide:sc= -0.614 K(o=-0.61,f=-11!) USER MOD Single : A 50 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.049) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 167:sc= -2.37 (180deg=-2.47) USER MOD Single : A 58 LYS NZ :NH3+ 150:sc= 0.855 (180deg=-2.69!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.592 K(o=-0.59,f=-3.5) USER MOD Single : A 64 MET CE :methyl 168:sc= 0 (180deg=-0.12) USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0403) USER MOD Single : A 72 LYS NZ :NH3+ -108:sc= 1.04 (180deg=-3.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.809 -1.619 17.067 1.00 0.00 N ATOM 2 CA GLY A 1 1.187 -0.255 16.666 1.00 0.00 C ATOM 3 C GLY A 1 0.789 -0.074 15.212 1.00 0.00 C ATOM 4 O GLY A 1 -0.244 -0.621 14.829 1.00 0.00 O ATOM 0 H1 GLY A 1 0.422 -1.602 18.032 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.090 -1.987 16.412 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.648 -2.234 17.041 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.685 0.481 17.294 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.259 -0.103 16.791 1.00 0.00 H new ATOM 10 N GLU A 2 1.602 0.627 14.423 1.00 0.00 N ATOM 11 CA GLU A 2 1.515 0.666 12.974 1.00 0.00 C ATOM 12 C GLU A 2 1.427 -0.765 12.441 1.00 0.00 C ATOM 13 O GLU A 2 2.076 -1.660 12.987 1.00 0.00 O ATOM 14 CB GLU A 2 2.774 1.342 12.412 1.00 0.00 C ATOM 15 CG GLU A 2 2.884 2.841 12.729 1.00 0.00 C ATOM 16 CD GLU A 2 3.154 3.193 14.189 1.00 0.00 C ATOM 17 OE1 GLU A 2 3.598 2.291 14.935 1.00 0.00 O ATOM 18 OE2 GLU A 2 2.879 4.359 14.538 1.00 0.00 O ATOM 0 H GLU A 2 2.361 1.200 14.792 1.00 0.00 H new ATOM 0 HA GLU A 2 0.631 1.227 12.670 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.653 0.834 12.809 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.791 1.210 11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.682 3.264 12.119 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.957 3.327 12.423 1.00 0.00 H new ATOM 25 N VAL A 3 0.636 -0.987 11.389 1.00 0.00 N ATOM 26 CA VAL A 3 0.440 -2.285 10.801 1.00 0.00 C ATOM 27 C VAL A 3 0.916 -2.257 9.353 1.00 0.00 C ATOM 28 O VAL A 3 0.614 -1.318 8.612 1.00 0.00 O ATOM 29 CB VAL A 3 -1.005 -2.737 10.975 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.427 -2.759 12.447 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.972 -1.943 10.114 1.00 0.00 C ATOM 0 H VAL A 3 0.111 -0.247 10.924 1.00 0.00 H new ATOM 0 HA VAL A 3 1.041 -3.036 11.314 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.051 -3.766 10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.464 -3.087 12.523 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.787 -3.447 12.999 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.331 -1.758 12.868 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.987 -2.306 10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.917 -0.888 10.383 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.708 -2.064 9.064 1.00 0.00 H new ATOM 41 N VAL A 4 1.688 -3.272 8.968 1.00 0.00 N ATOM 42 CA VAL A 4 2.154 -3.499 7.628 1.00 0.00 C ATOM 43 C VAL A 4 1.034 -4.201 6.846 1.00 0.00 C ATOM 44 O VAL A 4 0.610 -5.304 7.199 1.00 0.00 O ATOM 45 CB VAL A 4 3.507 -4.215 7.713 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.345 -5.706 7.853 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.347 -3.937 6.486 1.00 0.00 C ATOM 0 H VAL A 4 2.013 -3.983 9.623 1.00 0.00 H new ATOM 0 HA VAL A 4 2.357 -2.591 7.060 1.00 0.00 H new ATOM 0 HB VAL A 4 4.006 -3.826 8.601 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.327 -6.175 7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.784 -5.927 8.761 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.806 -6.096 6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.301 -4.457 6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.822 -4.289 5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.525 -2.865 6.402 1.00 0.00 H new ATOM 57 N LEU A 5 0.527 -3.529 5.811 1.00 0.00 N ATOM 58 CA LEU A 5 -0.445 -4.037 4.873 1.00 0.00 C ATOM 59 C LEU A 5 0.388 -4.508 3.699 1.00 0.00 C ATOM 60 O LEU A 5 1.134 -3.707 3.132 1.00 0.00 O ATOM 61 CB LEU A 5 -1.383 -2.884 4.497 1.00 0.00 C ATOM 62 CG LEU A 5 -2.546 -3.212 3.555 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.457 -1.980 3.510 1.00 0.00 C ATOM 64 CD2 LEU A 5 -2.046 -3.498 2.135 1.00 0.00 C ATOM 0 H LEU A 5 0.804 -2.569 5.604 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.069 -4.847 5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.798 -2.471 5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.785 -2.098 4.036 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.069 -4.097 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.300 -2.175 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.826 -1.764 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.893 -1.124 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.894 -3.727 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.524 -2.622 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.364 -4.348 2.154 1.00 0.00 H new ATOM 76 N LYS A 6 0.301 -5.795 3.358 1.00 0.00 N ATOM 77 CA LYS A 6 1.049 -6.349 2.258 1.00 0.00 C ATOM 78 C LYS A 6 0.008 -6.760 1.226 1.00 0.00 C ATOM 79 O LYS A 6 -0.854 -7.607 1.481 1.00 0.00 O ATOM 80 CB LYS A 6 1.896 -7.515 2.763 1.00 0.00 C ATOM 81 CG LYS A 6 3.031 -7.960 1.839 1.00 0.00 C ATOM 82 CD LYS A 6 2.434 -8.681 0.630 1.00 0.00 C ATOM 83 CE LYS A 6 3.481 -9.297 -0.290 1.00 0.00 C ATOM 84 NZ LYS A 6 4.229 -10.431 0.289 1.00 0.00 N ATOM 0 H LYS A 6 -0.291 -6.470 3.842 1.00 0.00 H new ATOM 0 HA LYS A 6 1.750 -5.647 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.324 -7.238 3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.240 -8.367 2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.612 -7.097 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.714 -8.621 2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.763 -9.465 0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.830 -7.976 0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.989 -9.634 -1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.191 -8.522 -0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.792 -10.891 -0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.862 -10.083 1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.561 -11.118 0.692 1.00 0.00 H new ATOM 98 N MET A 7 0.115 -6.138 0.062 1.00 0.00 N ATOM 99 CA MET A 7 -0.598 -6.488 -1.140 1.00 0.00 C ATOM 100 C MET A 7 0.404 -6.986 -2.177 1.00 0.00 C ATOM 101 O MET A 7 1.488 -6.420 -2.308 1.00 0.00 O ATOM 102 CB MET A 7 -1.404 -5.282 -1.637 1.00 0.00 C ATOM 103 CG MET A 7 -0.727 -3.926 -1.444 1.00 0.00 C ATOM 104 SD MET A 7 -1.377 -2.558 -2.443 1.00 0.00 S ATOM 105 CE MET A 7 -3.068 -2.437 -1.820 1.00 0.00 C ATOM 0 H MET A 7 0.734 -5.337 -0.068 1.00 0.00 H new ATOM 0 HA MET A 7 -1.311 -7.289 -0.947 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.615 -5.418 -2.698 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.364 -5.268 -1.121 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.806 -3.650 -0.392 1.00 0.00 H new ATOM 0 HG3 MET A 7 0.334 -4.038 -1.666 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.592 -1.636 -2.342 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.587 -3.381 -1.989 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.048 -2.221 -0.752 1.00 0.00 H new ATOM 115 N LYS A 8 0.056 -8.045 -2.914 1.00 0.00 N ATOM 116 CA LYS A 8 0.686 -8.228 -4.219 1.00 0.00 C ATOM 117 C LYS A 8 0.110 -7.179 -5.156 1.00 0.00 C ATOM 118 O LYS A 8 -1.022 -6.749 -4.933 1.00 0.00 O ATOM 119 CB LYS A 8 0.410 -9.597 -4.833 1.00 0.00 C ATOM 120 CG LYS A 8 1.142 -10.736 -4.136 1.00 0.00 C ATOM 121 CD LYS A 8 0.386 -11.263 -2.913 1.00 0.00 C ATOM 122 CE LYS A 8 0.852 -12.679 -2.538 1.00 0.00 C ATOM 123 NZ LYS A 8 0.598 -13.663 -3.615 1.00 0.00 N ATOM 0 H LYS A 8 -0.625 -8.756 -2.645 1.00 0.00 H new ATOM 0 HA LYS A 8 1.764 -8.139 -4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.662 -9.791 -4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.699 -9.580 -5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.294 -11.551 -4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.130 -10.393 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.541 -10.591 -2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.684 -11.273 -3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.918 -12.659 -2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.340 -12.998 -1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.503 -14.613 -3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.280 -13.413 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.392 -13.655 -4.287 1.00 0.00 H new ATOM 137 N VAL A 9 0.842 -6.813 -6.207 1.00 0.00 N ATOM 138 CA VAL A 9 0.330 -5.989 -7.278 1.00 0.00 C ATOM 139 C VAL A 9 0.840 -6.567 -8.590 1.00 0.00 C ATOM 140 O VAL A 9 1.975 -7.025 -8.656 1.00 0.00 O ATOM 141 CB VAL A 9 0.797 -4.546 -7.097 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.094 -3.866 -5.919 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.317 -4.429 -6.948 1.00 0.00 C ATOM 0 H VAL A 9 1.816 -7.088 -6.331 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.760 -5.983 -7.275 1.00 0.00 H new ATOM 0 HB VAL A 9 0.518 -4.026 -8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.453 -2.841 -5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.982 -3.859 -6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.310 -4.413 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.591 -3.381 -6.823 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.642 -4.996 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.802 -4.826 -7.840 1.00 0.00 H new ATOM 153 N GLU A 10 0.011 -6.538 -9.628 1.00 0.00 N ATOM 154 CA GLU A 10 0.358 -7.113 -10.919 1.00 0.00 C ATOM 155 C GLU A 10 0.861 -6.006 -11.847 1.00 0.00 C ATOM 156 O GLU A 10 0.482 -4.843 -11.700 1.00 0.00 O ATOM 157 CB GLU A 10 -0.845 -7.860 -11.509 1.00 0.00 C ATOM 158 CG GLU A 10 -1.414 -8.923 -10.548 1.00 0.00 C ATOM 159 CD GLU A 10 -0.446 -10.073 -10.289 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.052 -10.625 -11.292 1.00 0.00 O ATOM 161 OE2 GLU A 10 -0.253 -10.399 -9.096 1.00 0.00 O ATOM 0 H GLU A 10 -0.917 -6.116 -9.597 1.00 0.00 H new ATOM 0 HA GLU A 10 1.159 -7.842 -10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.628 -7.143 -11.756 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.548 -8.340 -12.441 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.668 -8.449 -9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.340 -9.321 -10.963 1.00 0.00 H new ATOM 168 N GLY A 11 1.734 -6.344 -12.797 1.00 0.00 N ATOM 169 CA GLY A 11 2.158 -5.435 -13.861 1.00 0.00 C ATOM 170 C GLY A 11 3.228 -4.425 -13.435 1.00 0.00 C ATOM 171 O GLY A 11 4.074 -4.047 -14.244 1.00 0.00 O ATOM 0 H GLY A 11 2.170 -7.265 -12.849 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.541 -6.023 -14.695 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.287 -4.892 -14.228 1.00 0.00 H new ATOM 175 N MET A 12 3.181 -3.950 -12.187 1.00 0.00 N ATOM 176 CA MET A 12 4.047 -2.885 -11.699 1.00 0.00 C ATOM 177 C MET A 12 5.521 -3.307 -11.698 1.00 0.00 C ATOM 178 O MET A 12 6.031 -3.867 -10.730 1.00 0.00 O ATOM 179 CB MET A 12 3.583 -2.437 -10.312 1.00 0.00 C ATOM 180 CG MET A 12 2.219 -1.732 -10.389 1.00 0.00 C ATOM 181 SD MET A 12 1.323 -1.513 -8.831 1.00 0.00 S ATOM 182 CE MET A 12 2.511 -0.594 -7.835 1.00 0.00 C ATOM 0 H MET A 12 2.532 -4.301 -11.483 1.00 0.00 H new ATOM 0 HA MET A 12 3.971 -2.037 -12.380 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.513 -3.301 -9.651 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.321 -1.763 -9.878 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.370 -0.749 -10.835 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.583 -2.297 -11.070 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.084 -0.394 -6.852 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.423 -1.181 -7.723 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.745 0.350 -8.327 1.00 0.00 H new ATOM 192 N THR A 13 6.211 -3.026 -12.802 1.00 0.00 N ATOM 193 CA THR A 13 7.600 -3.359 -13.030 1.00 0.00 C ATOM 194 C THR A 13 8.256 -2.269 -13.883 1.00 0.00 C ATOM 195 O THR A 13 8.753 -2.525 -14.976 1.00 0.00 O ATOM 196 CB THR A 13 7.662 -4.776 -13.609 1.00 0.00 C ATOM 197 OG1 THR A 13 7.006 -5.646 -12.711 1.00 0.00 O ATOM 198 CG2 THR A 13 9.086 -5.292 -13.768 1.00 0.00 C ATOM 0 H THR A 13 5.790 -2.538 -13.593 1.00 0.00 H new ATOM 0 HA THR A 13 8.183 -3.379 -12.109 1.00 0.00 H new ATOM 0 HB THR A 13 7.196 -4.743 -14.594 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.408 -6.538 -12.768 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.064 -6.300 -14.182 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.638 -4.635 -14.441 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.577 -5.310 -12.795 1.00 0.00 H new ATOM 206 N CYS A 14 8.275 -1.042 -13.355 1.00 0.00 N ATOM 207 CA CYS A 14 9.078 0.059 -13.854 1.00 0.00 C ATOM 208 C CYS A 14 9.151 1.093 -12.735 1.00 0.00 C ATOM 209 O CYS A 14 8.265 1.128 -11.878 1.00 0.00 O ATOM 210 CB CYS A 14 8.464 0.659 -15.128 1.00 0.00 C ATOM 211 SG CYS A 14 6.870 1.500 -14.924 1.00 0.00 S ATOM 0 H CYS A 14 7.712 -0.788 -12.544 1.00 0.00 H new ATOM 0 HA CYS A 14 10.076 -0.283 -14.128 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.175 1.369 -15.550 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.339 -0.140 -15.858 1.00 0.00 H new ATOM 216 N HIS A 15 10.167 1.958 -12.746 1.00 0.00 N ATOM 217 CA HIS A 15 10.271 3.064 -11.800 1.00 0.00 C ATOM 218 C HIS A 15 9.343 4.208 -12.223 1.00 0.00 C ATOM 219 O HIS A 15 9.776 5.349 -12.359 1.00 0.00 O ATOM 220 CB HIS A 15 11.732 3.517 -11.677 1.00 0.00 C ATOM 221 CG HIS A 15 12.602 2.517 -10.961 1.00 0.00 C ATOM 222 ND1 HIS A 15 13.441 1.594 -11.543 1.00 0.00 N ATOM 223 CD2 HIS A 15 12.721 2.389 -9.603 1.00 0.00 C ATOM 224 CE1 HIS A 15 14.053 0.925 -10.550 1.00 0.00 C ATOM 225 NE2 HIS A 15 13.648 1.375 -9.351 1.00 0.00 N ATOM 0 H HIS A 15 10.939 1.909 -13.411 1.00 0.00 H new ATOM 0 HA HIS A 15 9.949 2.732 -10.813 1.00 0.00 H new ATOM 0 HB2 HIS A 15 12.137 3.694 -12.674 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.768 4.468 -11.145 1.00 0.00 H new ATOM 0 HD2 HIS A 15 12.193 2.968 -8.860 1.00 0.00 H new ATOM 0 HE1 HIS A 15 14.773 0.133 -10.697 1.00 0.00 H new ATOM 0 HE2 HIS A 15 13.956 1.042 -8.437 1.00 0.00 H new ATOM 233 N SER A 16 8.059 3.896 -12.407 1.00 0.00 N ATOM 234 CA SER A 16 7.017 4.860 -12.727 1.00 0.00 C ATOM 235 C SER A 16 5.793 4.528 -11.882 1.00 0.00 C ATOM 236 O SER A 16 5.426 5.323 -11.019 1.00 0.00 O ATOM 237 CB SER A 16 6.725 4.883 -14.239 1.00 0.00 C ATOM 238 OG SER A 16 7.008 6.164 -14.769 1.00 0.00 O ATOM 0 H SER A 16 7.711 2.940 -12.335 1.00 0.00 H new ATOM 0 HA SER A 16 7.341 5.872 -12.484 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.329 4.130 -14.745 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.681 4.629 -14.420 1.00 0.00 H new ATOM 0 HG SER A 16 6.821 6.169 -15.731 1.00 0.00 H new ATOM 244 N CYS A 17 5.185 3.354 -12.089 1.00 0.00 N ATOM 245 CA CYS A 17 3.976 2.969 -11.371 1.00 0.00 C ATOM 246 C CYS A 17 4.202 3.024 -9.857 1.00 0.00 C ATOM 247 O CYS A 17 3.497 3.740 -9.140 1.00 0.00 O ATOM 248 CB CYS A 17 3.510 1.575 -11.806 1.00 0.00 C ATOM 249 SG CYS A 17 3.433 1.273 -13.591 1.00 0.00 S ATOM 0 H CYS A 17 5.517 2.654 -12.753 1.00 0.00 H new ATOM 0 HA CYS A 17 3.189 3.682 -11.619 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.179 0.837 -11.363 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.519 1.399 -11.387 1.00 0.00 H new ATOM 254 N THR A 18 5.212 2.281 -9.387 1.00 0.00 N ATOM 255 CA THR A 18 5.573 2.252 -7.976 1.00 0.00 C ATOM 256 C THR A 18 5.752 3.676 -7.453 1.00 0.00 C ATOM 257 O THR A 18 5.079 4.069 -6.510 1.00 0.00 O ATOM 258 CB THR A 18 6.800 1.360 -7.699 1.00 0.00 C ATOM 259 OG1 THR A 18 7.123 1.489 -6.330 1.00 0.00 O ATOM 260 CG2 THR A 18 8.047 1.727 -8.511 1.00 0.00 C ATOM 0 H THR A 18 5.796 1.688 -9.976 1.00 0.00 H new ATOM 0 HA THR A 18 4.753 1.791 -7.425 1.00 0.00 H new ATOM 0 HB THR A 18 6.525 0.346 -7.989 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.440 0.628 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.861 1.050 -8.254 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.826 1.642 -9.575 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.341 2.751 -8.283 1.00 0.00 H new ATOM 268 N SER A 19 6.619 4.462 -8.095 1.00 0.00 N ATOM 269 CA SER A 19 6.976 5.801 -7.645 1.00 0.00 C ATOM 270 C SER A 19 5.740 6.702 -7.588 1.00 0.00 C ATOM 271 O SER A 19 5.555 7.440 -6.624 1.00 0.00 O ATOM 272 CB SER A 19 8.049 6.364 -8.587 1.00 0.00 C ATOM 273 OG SER A 19 8.558 7.589 -8.101 1.00 0.00 O ATOM 0 H SER A 19 7.096 4.180 -8.951 1.00 0.00 H new ATOM 0 HA SER A 19 7.380 5.759 -6.633 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.861 5.644 -8.690 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.625 6.511 -9.580 1.00 0.00 H new ATOM 0 HG SER A 19 9.241 7.927 -8.717 1.00 0.00 H new ATOM 279 N THR A 20 4.874 6.629 -8.603 1.00 0.00 N ATOM 280 CA THR A 20 3.627 7.380 -8.620 1.00 0.00 C ATOM 281 C THR A 20 2.815 7.049 -7.368 1.00 0.00 C ATOM 282 O THR A 20 2.388 7.948 -6.639 1.00 0.00 O ATOM 283 CB THR A 20 2.843 7.074 -9.906 1.00 0.00 C ATOM 284 OG1 THR A 20 3.629 7.410 -11.028 1.00 0.00 O ATOM 285 CG2 THR A 20 1.544 7.882 -9.987 1.00 0.00 C ATOM 0 H THR A 20 5.021 6.049 -9.429 1.00 0.00 H new ATOM 0 HA THR A 20 3.839 8.449 -8.613 1.00 0.00 H new ATOM 0 HB THR A 20 2.601 6.011 -9.893 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.321 6.728 -11.159 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.020 7.637 -10.911 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.910 7.638 -9.134 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.776 8.947 -9.974 1.00 0.00 H new ATOM 293 N ILE A 21 2.604 5.756 -7.109 1.00 0.00 N ATOM 294 CA ILE A 21 1.867 5.329 -5.937 1.00 0.00 C ATOM 295 C ILE A 21 2.580 5.794 -4.665 1.00 0.00 C ATOM 296 O ILE A 21 1.933 6.359 -3.794 1.00 0.00 O ATOM 297 CB ILE A 21 1.613 3.810 -6.020 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.191 3.558 -6.520 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.774 3.115 -4.678 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.008 2.166 -7.123 1.00 0.00 C ATOM 0 H ILE A 21 2.936 4.994 -7.700 1.00 0.00 H new ATOM 0 HA ILE A 21 0.884 5.798 -5.899 1.00 0.00 H new ATOM 0 HB ILE A 21 2.355 3.402 -6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.507 3.684 -5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.063 4.308 -7.268 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.584 2.048 -4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.789 3.264 -4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.065 3.534 -3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.022 2.048 -7.460 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.683 2.045 -7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.232 1.411 -6.370 1.00 0.00 H new ATOM 312 N GLU A 22 3.888 5.581 -4.541 1.00 0.00 N ATOM 313 CA GLU A 22 4.650 5.970 -3.370 1.00 0.00 C ATOM 314 C GLU A 22 4.479 7.464 -3.089 1.00 0.00 C ATOM 315 O GLU A 22 4.122 7.849 -1.976 1.00 0.00 O ATOM 316 CB GLU A 22 6.112 5.496 -3.508 1.00 0.00 C ATOM 317 CG GLU A 22 6.369 4.485 -2.382 1.00 0.00 C ATOM 318 CD GLU A 22 7.751 3.847 -2.391 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.684 4.494 -2.910 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.845 2.724 -1.843 1.00 0.00 O ATOM 0 H GLU A 22 4.449 5.128 -5.262 1.00 0.00 H new ATOM 0 HA GLU A 22 4.264 5.470 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.277 5.037 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.799 6.339 -3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.223 4.986 -1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.621 3.695 -2.446 1.00 0.00 H new ATOM 327 N GLY A 23 4.646 8.298 -4.115 1.00 0.00 N ATOM 328 CA GLY A 23 4.370 9.722 -4.044 1.00 0.00 C ATOM 329 C GLY A 23 2.953 9.998 -3.539 1.00 0.00 C ATOM 330 O GLY A 23 2.766 10.774 -2.602 1.00 0.00 O ATOM 0 H GLY A 23 4.982 7.994 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.092 10.200 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.498 10.167 -5.031 1.00 0.00 H new ATOM 334 N LYS A 24 1.943 9.389 -4.170 1.00 0.00 N ATOM 335 CA LYS A 24 0.550 9.666 -3.840 1.00 0.00 C ATOM 336 C LYS A 24 0.227 9.193 -2.420 1.00 0.00 C ATOM 337 O LYS A 24 -0.169 9.973 -1.557 1.00 0.00 O ATOM 338 CB LYS A 24 -0.383 9.045 -4.899 1.00 0.00 C ATOM 339 CG LYS A 24 -1.653 9.881 -5.138 1.00 0.00 C ATOM 340 CD LYS A 24 -2.678 9.762 -3.998 1.00 0.00 C ATOM 341 CE LYS A 24 -3.931 10.620 -4.234 1.00 0.00 C ATOM 342 NZ LYS A 24 -4.696 10.217 -5.434 1.00 0.00 N ATOM 0 H LYS A 24 2.070 8.701 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 24 0.384 10.743 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.160 8.940 -5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.668 8.042 -4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.374 10.928 -5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.119 9.565 -6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.973 8.718 -3.888 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.209 10.061 -3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.578 10.554 -3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.635 11.664 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.555 10.799 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.109 10.353 -6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.963 9.215 -5.355 1.00 0.00 H new ATOM 356 N ILE A 25 0.369 7.895 -2.192 1.00 0.00 N ATOM 357 CA ILE A 25 -0.007 7.229 -0.958 1.00 0.00 C ATOM 358 C ILE A 25 0.852 7.733 0.204 1.00 0.00 C ATOM 359 O ILE A 25 0.361 7.872 1.322 1.00 0.00 O ATOM 360 CB ILE A 25 -0.008 5.701 -1.131 1.00 0.00 C ATOM 361 CG1 ILE A 25 -0.846 5.237 -2.327 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.405 4.956 0.153 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.317 5.581 -2.194 1.00 0.00 C ATOM 0 H ILE A 25 0.762 7.258 -2.885 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.035 7.487 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 25 1.027 5.436 -1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.454 5.693 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.740 4.158 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.388 3.882 -0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.300 5.200 0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.409 5.257 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.855 5.225 -3.073 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.723 5.103 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.432 6.662 -2.111 1.00 0.00 H new ATOM 375 N GLY A 26 2.112 8.088 -0.062 1.00 0.00 N ATOM 376 CA GLY A 26 2.955 8.787 0.895 1.00 0.00 C ATOM 377 C GLY A 26 2.257 9.999 1.519 1.00 0.00 C ATOM 378 O GLY A 26 2.535 10.340 2.666 1.00 0.00 O ATOM 0 H GLY A 26 2.572 7.895 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.252 8.097 1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.868 9.114 0.398 1.00 0.00 H new ATOM 382 N LYS A 27 1.352 10.652 0.781 1.00 0.00 N ATOM 383 CA LYS A 27 0.655 11.842 1.212 1.00 0.00 C ATOM 384 C LYS A 27 -0.707 11.518 1.859 1.00 0.00 C ATOM 385 O LYS A 27 -1.481 12.439 2.112 1.00 0.00 O ATOM 386 CB LYS A 27 0.578 12.753 -0.026 1.00 0.00 C ATOM 387 CG LYS A 27 0.002 14.133 0.274 1.00 0.00 C ATOM 388 CD LYS A 27 0.530 15.208 -0.688 1.00 0.00 C ATOM 389 CE LYS A 27 1.934 15.677 -0.264 1.00 0.00 C ATOM 390 NZ LYS A 27 2.511 16.656 -1.208 1.00 0.00 N ATOM 0 H LYS A 27 1.086 10.349 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 27 1.183 12.360 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.577 12.868 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.034 12.269 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.085 14.092 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.249 14.412 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.565 14.810 -1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.153 16.057 -0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.880 16.123 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.596 14.814 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.456 16.941 -0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.588 16.225 -2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.896 17.493 -1.260 1.00 0.00 H new ATOM 404 N LEU A 28 -1.029 10.249 2.158 1.00 0.00 N ATOM 405 CA LEU A 28 -2.250 9.933 2.884 1.00 0.00 C ATOM 406 C LEU A 28 -2.163 10.366 4.349 1.00 0.00 C ATOM 407 O LEU A 28 -1.098 10.359 4.964 1.00 0.00 O ATOM 408 CB LEU A 28 -2.532 8.434 2.860 1.00 0.00 C ATOM 409 CG LEU A 28 -2.912 7.817 1.505 1.00 0.00 C ATOM 410 CD1 LEU A 28 -3.956 6.727 1.748 1.00 0.00 C ATOM 411 CD2 LEU A 28 -3.455 8.795 0.453 1.00 0.00 C ATOM 0 H LEU A 28 -0.462 9.439 1.907 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.052 10.477 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.647 7.917 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.339 8.230 3.563 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.982 7.433 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.239 6.276 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.538 5.962 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.836 7.165 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.690 8.251 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.358 9.274 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.703 9.555 0.241 1.00 0.00 H new ATOM 423 N GLN A 29 -3.328 10.668 4.923 1.00 0.00 N ATOM 424 CA GLN A 29 -3.492 11.082 6.307 1.00 0.00 C ATOM 425 C GLN A 29 -3.779 9.870 7.203 1.00 0.00 C ATOM 426 O GLN A 29 -4.927 9.575 7.521 1.00 0.00 O ATOM 427 CB GLN A 29 -4.561 12.179 6.366 1.00 0.00 C ATOM 428 CG GLN A 29 -5.957 11.684 5.945 1.00 0.00 C ATOM 429 CD GLN A 29 -6.727 12.667 5.066 1.00 0.00 C ATOM 430 OE1 GLN A 29 -6.495 13.871 5.097 1.00 0.00 O ATOM 431 NE2 GLN A 29 -7.651 12.155 4.256 1.00 0.00 N ATOM 0 H GLN A 29 -4.211 10.628 4.415 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.570 11.511 6.701 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.613 12.574 7.381 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.263 13.003 5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.850 10.741 5.409 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.543 11.478 6.841 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.824 11.150 4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.186 12.768 3.641 1.00 0.00 H new ATOM 440 N GLY A 30 -2.730 9.147 7.598 1.00 0.00 N ATOM 441 CA GLY A 30 -2.876 7.900 8.351 1.00 0.00 C ATOM 442 C GLY A 30 -1.772 6.882 8.081 1.00 0.00 C ATOM 443 O GLY A 30 -1.638 5.903 8.817 1.00 0.00 O ATOM 0 H GLY A 30 -1.762 9.406 7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.892 8.130 9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.839 7.451 8.107 1.00 0.00 H new ATOM 447 N VAL A 31 -0.985 7.099 7.026 1.00 0.00 N ATOM 448 CA VAL A 31 0.179 6.283 6.746 1.00 0.00 C ATOM 449 C VAL A 31 1.329 6.710 7.649 1.00 0.00 C ATOM 450 O VAL A 31 1.413 7.869 8.055 1.00 0.00 O ATOM 451 CB VAL A 31 0.541 6.429 5.252 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.942 5.917 4.895 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.456 5.635 4.410 1.00 0.00 C ATOM 0 H VAL A 31 -1.143 7.845 6.348 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.029 5.233 6.949 1.00 0.00 H new ATOM 0 HB VAL A 31 0.511 7.499 5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.119 6.055 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.688 6.474 5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.016 4.858 5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.203 5.736 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.415 4.583 4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.462 6.018 4.580 1.00 0.00 H new ATOM 463 N GLN A 32 2.211 5.756 7.949 1.00 0.00 N ATOM 464 CA GLN A 32 3.450 5.976 8.674 1.00 0.00 C ATOM 465 C GLN A 32 4.664 5.593 7.822 1.00 0.00 C ATOM 466 O GLN A 32 5.698 6.251 7.902 1.00 0.00 O ATOM 467 CB GLN A 32 3.392 5.211 10.001 1.00 0.00 C ATOM 468 CG GLN A 32 2.750 6.050 11.107 1.00 0.00 C ATOM 469 CD GLN A 32 3.553 7.296 11.481 1.00 0.00 C ATOM 470 OE1 GLN A 32 4.757 7.370 11.253 1.00 0.00 O ATOM 471 NE2 GLN A 32 2.893 8.300 12.049 1.00 0.00 N ATOM 0 H GLN A 32 2.073 4.781 7.683 1.00 0.00 H new ATOM 0 HA GLN A 32 3.566 7.037 8.897 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.825 4.290 9.866 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.400 4.923 10.300 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.753 6.354 10.787 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.625 5.430 11.995 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.893 8.216 12.229 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.387 9.155 12.305 1.00 0.00 H new ATOM 480 N ARG A 33 4.565 4.555 6.984 1.00 0.00 N ATOM 481 CA ARG A 33 5.620 4.210 6.048 1.00 0.00 C ATOM 482 C ARG A 33 4.998 3.449 4.895 1.00 0.00 C ATOM 483 O ARG A 33 3.826 3.098 4.927 1.00 0.00 O ATOM 484 CB ARG A 33 6.749 3.449 6.769 1.00 0.00 C ATOM 485 CG ARG A 33 8.110 3.692 6.095 1.00 0.00 C ATOM 486 CD ARG A 33 9.259 3.645 7.109 1.00 0.00 C ATOM 487 NE ARG A 33 10.454 4.304 6.557 1.00 0.00 N ATOM 488 CZ ARG A 33 11.449 4.829 7.290 1.00 0.00 C ATOM 489 NH1 ARG A 33 11.526 4.563 8.599 1.00 0.00 N ATOM 490 NH2 ARG A 33 12.357 5.622 6.709 1.00 0.00 N ATOM 0 H ARG A 33 3.753 3.939 6.942 1.00 0.00 H new ATOM 0 HA ARG A 33 6.095 5.100 5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.796 3.766 7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.527 2.382 6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.274 2.940 5.324 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.102 4.662 5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.958 4.138 8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.489 2.610 7.360 1.00 0.00 H new ATOM 0 HE ARG A 33 10.532 4.366 5.542 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.829 3.962 9.039 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.281 4.961 9.157 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.292 5.826 5.712 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.114 6.022 7.263 1.00 0.00 H new ATOM 504 N ILE A 34 5.767 3.244 3.839 1.00 0.00 N ATOM 505 CA ILE A 34 5.324 2.638 2.617 1.00 0.00 C ATOM 506 C ILE A 34 6.594 2.095 1.974 1.00 0.00 C ATOM 507 O ILE A 34 7.650 2.718 2.089 1.00 0.00 O ATOM 508 CB ILE A 34 4.548 3.679 1.788 1.00 0.00 C ATOM 509 CG1 ILE A 34 4.089 3.052 0.471 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.340 4.976 1.541 1.00 0.00 C ATOM 511 CD1 ILE A 34 3.025 3.883 -0.245 1.00 0.00 C ATOM 0 H ILE A 34 6.752 3.509 3.819 1.00 0.00 H new ATOM 0 HA ILE A 34 4.617 1.817 2.737 1.00 0.00 H new ATOM 0 HB ILE A 34 3.678 3.974 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.950 2.929 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.693 2.056 0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.735 5.665 0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.589 5.438 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.258 4.745 1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.739 3.387 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.150 3.984 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.426 4.871 -0.470 1.00 0.00 H new ATOM 523 N LYS A 35 6.502 0.897 1.402 1.00 0.00 N ATOM 524 CA LYS A 35 7.528 0.270 0.605 1.00 0.00 C ATOM 525 C LYS A 35 6.907 -0.449 -0.606 1.00 0.00 C ATOM 526 O LYS A 35 6.542 -1.622 -0.513 1.00 0.00 O ATOM 527 CB LYS A 35 8.429 -0.641 1.456 1.00 0.00 C ATOM 528 CG LYS A 35 9.617 0.042 2.143 1.00 0.00 C ATOM 529 CD LYS A 35 10.620 0.575 1.110 1.00 0.00 C ATOM 530 CE LYS A 35 11.944 1.001 1.759 1.00 0.00 C ATOM 531 NZ LYS A 35 12.876 -0.136 1.919 1.00 0.00 N ATOM 0 H LYS A 35 5.667 0.318 1.492 1.00 0.00 H new ATOM 0 HA LYS A 35 8.184 1.045 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.814 -1.114 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.812 -1.438 0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.259 0.863 2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.114 -0.666 2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.814 -0.195 0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.183 1.425 0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.415 1.772 1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.743 1.445 2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.757 0.197 2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.438 -0.861 2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.089 -0.544 0.986 1.00 0.00 H new ATOM 545 N VAL A 36 6.770 0.235 -1.744 1.00 0.00 N ATOM 546 CA VAL A 36 6.197 -0.358 -2.947 1.00 0.00 C ATOM 547 C VAL A 36 7.302 -0.957 -3.817 1.00 0.00 C ATOM 548 O VAL A 36 8.072 -0.235 -4.450 1.00 0.00 O ATOM 549 CB VAL A 36 5.273 0.638 -3.661 1.00 0.00 C ATOM 550 CG1 VAL A 36 4.650 0.021 -4.919 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.140 0.995 -2.688 1.00 0.00 C ATOM 0 H VAL A 36 7.052 1.209 -1.854 1.00 0.00 H new ATOM 0 HA VAL A 36 5.550 -1.194 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 36 5.852 1.512 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.001 0.753 -5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.440 -0.273 -5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.065 -0.856 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.462 1.703 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.592 0.092 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.561 1.444 -1.788 1.00 0.00 H new ATOM 561 N SER A 37 7.387 -2.289 -3.847 1.00 0.00 N ATOM 562 CA SER A 37 8.384 -2.985 -4.626 1.00 0.00 C ATOM 563 C SER A 37 7.916 -3.041 -6.078 1.00 0.00 C ATOM 564 O SER A 37 6.832 -2.569 -6.424 1.00 0.00 O ATOM 565 CB SER A 37 8.616 -4.379 -4.042 1.00 0.00 C ATOM 566 OG SER A 37 8.666 -4.333 -2.627 1.00 0.00 O ATOM 0 H SER A 37 6.761 -2.905 -3.328 1.00 0.00 H new ATOM 0 HA SER A 37 9.338 -2.459 -4.592 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.817 -5.048 -4.360 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.548 -4.789 -4.430 1.00 0.00 H new ATOM 0 HG SER A 37 8.813 -5.236 -2.275 1.00 0.00 H new ATOM 572 N LEU A 38 8.743 -3.637 -6.930 1.00 0.00 N ATOM 573 CA LEU A 38 8.459 -3.793 -8.341 1.00 0.00 C ATOM 574 C LEU A 38 8.970 -5.148 -8.817 1.00 0.00 C ATOM 575 O LEU A 38 8.232 -5.906 -9.443 1.00 0.00 O ATOM 576 CB LEU A 38 8.996 -2.605 -9.146 1.00 0.00 C ATOM 577 CG LEU A 38 10.428 -2.122 -8.874 1.00 0.00 C ATOM 578 CD1 LEU A 38 10.810 -1.150 -9.997 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.568 -1.414 -7.518 1.00 0.00 C ATOM 0 H LEU A 38 9.642 -4.029 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 38 7.382 -3.786 -8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.929 -2.863 -10.203 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.325 -1.762 -8.980 1.00 0.00 H new ATOM 0 HG LEU A 38 11.087 -2.990 -8.844 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.825 -0.787 -9.834 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.758 -1.664 -10.957 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.119 -0.307 -9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.601 -1.094 -7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.912 -0.544 -7.493 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.290 -2.101 -6.719 1.00 0.00 H new ATOM 591 N ASP A 39 10.210 -5.481 -8.454 1.00 0.00 N ATOM 592 CA ASP A 39 10.884 -6.728 -8.770 1.00 0.00 C ATOM 593 C ASP A 39 9.977 -7.909 -8.488 1.00 0.00 C ATOM 594 O ASP A 39 9.665 -8.701 -9.373 1.00 0.00 O ATOM 595 CB ASP A 39 12.160 -6.885 -7.918 1.00 0.00 C ATOM 596 CG ASP A 39 12.949 -5.594 -7.732 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.340 -4.655 -7.162 1.00 0.00 O ATOM 598 OD2 ASP A 39 14.122 -5.564 -8.160 1.00 0.00 O ATOM 0 H ASP A 39 10.795 -4.852 -7.904 1.00 0.00 H new ATOM 0 HA ASP A 39 11.144 -6.703 -9.828 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.884 -7.273 -6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.806 -7.629 -8.385 1.00 0.00 H new ATOM 603 N ASN A 40 9.554 -8.011 -7.225 1.00 0.00 N ATOM 604 CA ASN A 40 8.741 -9.122 -6.773 1.00 0.00 C ATOM 605 C ASN A 40 7.245 -8.820 -6.933 1.00 0.00 C ATOM 606 O ASN A 40 6.418 -9.525 -6.366 1.00 0.00 O ATOM 607 CB ASN A 40 9.106 -9.527 -5.347 1.00 0.00 C ATOM 608 CG ASN A 40 8.845 -11.015 -5.102 1.00 0.00 C ATOM 609 OD1 ASN A 40 9.392 -11.866 -5.794 1.00 0.00 O ATOM 610 ND2 ASN A 40 8.040 -11.359 -4.106 1.00 0.00 N ATOM 0 H ASN A 40 9.768 -7.327 -6.499 1.00 0.00 H new ATOM 0 HA ASN A 40 8.956 -9.980 -7.410 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.157 -9.306 -5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.527 -8.934 -4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.868 -12.344 -3.906 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.593 -10.638 -3.540 1.00 0.00 H new ATOM 617 N GLN A 41 6.911 -7.752 -7.674 1.00 0.00 N ATOM 618 CA GLN A 41 5.567 -7.245 -7.912 1.00 0.00 C ATOM 619 C GLN A 41 4.710 -7.217 -6.629 1.00 0.00 C ATOM 620 O GLN A 41 3.681 -7.887 -6.505 1.00 0.00 O ATOM 621 CB GLN A 41 4.952 -7.982 -9.123 1.00 0.00 C ATOM 622 CG GLN A 41 4.854 -7.033 -10.324 1.00 0.00 C ATOM 623 CD GLN A 41 4.301 -7.698 -11.584 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.388 -8.512 -11.534 1.00 0.00 O ATOM 625 NE2 GLN A 41 4.808 -7.342 -12.757 1.00 0.00 N ATOM 0 H GLN A 41 7.620 -7.192 -8.147 1.00 0.00 H new ATOM 0 HA GLN A 41 5.607 -6.191 -8.188 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.564 -8.846 -9.382 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.962 -8.358 -8.865 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.217 -6.189 -10.059 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.843 -6.630 -10.540 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.569 -6.664 -12.799 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.437 -7.746 -13.617 1.00 0.00 H new ATOM 634 N GLU A 42 5.146 -6.417 -5.649 1.00 0.00 N ATOM 635 CA GLU A 42 4.628 -6.457 -4.293 1.00 0.00 C ATOM 636 C GLU A 42 4.634 -5.053 -3.710 1.00 0.00 C ATOM 637 O GLU A 42 5.456 -4.230 -4.104 1.00 0.00 O ATOM 638 CB GLU A 42 5.491 -7.419 -3.464 1.00 0.00 C ATOM 639 CG GLU A 42 4.813 -8.793 -3.414 1.00 0.00 C ATOM 640 CD GLU A 42 5.619 -9.819 -2.633 1.00 0.00 C ATOM 641 OE1 GLU A 42 6.834 -9.602 -2.462 1.00 0.00 O ATOM 642 OE2 GLU A 42 4.997 -10.790 -2.140 1.00 0.00 O ATOM 0 H GLU A 42 5.877 -5.719 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 42 3.600 -6.819 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.484 -7.507 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.623 -7.029 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.827 -8.690 -2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.660 -9.155 -4.431 1.00 0.00 H new ATOM 649 N ALA A 43 3.710 -4.778 -2.789 1.00 0.00 N ATOM 650 CA ALA A 43 3.502 -3.447 -2.260 1.00 0.00 C ATOM 651 C ALA A 43 3.211 -3.489 -0.758 1.00 0.00 C ATOM 652 O ALA A 43 2.321 -4.208 -0.296 1.00 0.00 O ATOM 653 CB ALA A 43 2.426 -2.750 -3.094 1.00 0.00 C ATOM 0 H ALA A 43 3.087 -5.481 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 43 4.411 -2.851 -2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.259 -1.745 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.753 -2.689 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.498 -3.319 -3.039 1.00 0.00 H new ATOM 659 N THR A 44 4.007 -2.723 -0.005 1.00 0.00 N ATOM 660 CA THR A 44 3.976 -2.594 1.441 1.00 0.00 C ATOM 661 C THR A 44 3.402 -1.230 1.777 1.00 0.00 C ATOM 662 O THR A 44 3.971 -0.228 1.360 1.00 0.00 O ATOM 663 CB THR A 44 5.425 -2.654 1.958 1.00 0.00 C ATOM 664 OG1 THR A 44 6.165 -3.638 1.263 1.00 0.00 O ATOM 665 CG2 THR A 44 5.456 -2.988 3.446 1.00 0.00 C ATOM 0 H THR A 44 4.734 -2.143 -0.424 1.00 0.00 H new ATOM 0 HA THR A 44 3.376 -3.385 1.891 1.00 0.00 H new ATOM 0 HB THR A 44 5.870 -1.673 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.524 -3.254 0.436 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.490 -3.025 3.789 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.916 -2.222 4.002 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.984 -3.956 3.611 1.00 0.00 H new ATOM 673 N ILE A 45 2.297 -1.165 2.514 1.00 0.00 N ATOM 674 CA ILE A 45 1.764 0.090 3.009 1.00 0.00 C ATOM 675 C ILE A 45 1.700 -0.037 4.532 1.00 0.00 C ATOM 676 O ILE A 45 1.014 -0.913 5.043 1.00 0.00 O ATOM 677 CB ILE A 45 0.408 0.365 2.344 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.528 0.600 0.826 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.201 1.627 2.960 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.690 -0.646 -0.049 1.00 0.00 C ATOM 0 H ILE A 45 1.750 -1.983 2.782 1.00 0.00 H new ATOM 0 HA ILE A 45 2.387 0.949 2.762 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.213 -0.515 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.360 1.137 0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.382 1.254 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.165 1.831 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.340 1.479 4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.468 2.472 2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.764 -0.349 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.595 -1.179 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.173 -1.298 0.083 1.00 0.00 H new ATOM 692 N VAL A 46 2.457 0.782 5.263 1.00 0.00 N ATOM 693 CA VAL A 46 2.557 0.701 6.717 1.00 0.00 C ATOM 694 C VAL A 46 1.751 1.842 7.324 1.00 0.00 C ATOM 695 O VAL A 46 2.131 3.009 7.196 1.00 0.00 O ATOM 696 CB VAL A 46 4.019 0.728 7.193 1.00 0.00 C ATOM 697 CG1 VAL A 46 4.110 0.079 8.578 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.926 -0.023 6.219 1.00 0.00 C ATOM 0 H VAL A 46 3.023 1.527 4.856 1.00 0.00 H new ATOM 0 HA VAL A 46 2.148 -0.252 7.051 1.00 0.00 H new ATOM 0 HB VAL A 46 4.350 1.765 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.145 0.095 8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.487 0.632 9.281 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.764 -0.953 8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.954 0.011 6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.601 -1.061 6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.870 0.444 5.236 1.00 0.00 H new ATOM 708 N TYR A 47 0.618 1.515 7.948 1.00 0.00 N ATOM 709 CA TYR A 47 -0.362 2.523 8.309 1.00 0.00 C ATOM 710 C TYR A 47 -0.885 2.340 9.721 1.00 0.00 C ATOM 711 O TYR A 47 -0.622 1.334 10.378 1.00 0.00 O ATOM 712 CB TYR A 47 -1.505 2.512 7.284 1.00 0.00 C ATOM 713 CG TYR A 47 -2.544 1.421 7.487 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.309 0.101 7.056 1.00 0.00 C ATOM 715 CD2 TYR A 47 -3.765 1.734 8.111 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.305 -0.879 7.230 1.00 0.00 C ATOM 717 CE2 TYR A 47 -4.785 0.775 8.204 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.548 -0.537 7.781 1.00 0.00 C ATOM 719 OH TYR A 47 -5.511 -1.484 7.950 1.00 0.00 O ATOM 0 H TYR A 47 0.363 0.563 8.210 1.00 0.00 H new ATOM 0 HA TYR A 47 0.128 3.496 8.292 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.007 3.479 7.312 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.077 2.404 6.287 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.368 -0.159 6.594 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.919 2.721 8.522 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.110 -1.900 6.937 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.751 1.049 8.601 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.308 -1.073 8.345 1.00 0.00 H new ATOM 729 N GLN A 48 -1.628 3.349 10.167 1.00 0.00 N ATOM 730 CA GLN A 48 -2.193 3.434 11.493 1.00 0.00 C ATOM 731 C GLN A 48 -3.658 2.963 11.421 1.00 0.00 C ATOM 732 O GLN A 48 -4.474 3.658 10.808 1.00 0.00 O ATOM 733 CB GLN A 48 -2.026 4.899 11.922 1.00 0.00 C ATOM 734 CG GLN A 48 -2.053 5.059 13.449 1.00 0.00 C ATOM 735 CD GLN A 48 -3.418 4.748 14.058 1.00 0.00 C ATOM 736 OE1 GLN A 48 -4.447 4.934 13.416 1.00 0.00 O ATOM 737 NE2 GLN A 48 -3.447 4.264 15.295 1.00 0.00 N ATOM 0 H GLN A 48 -1.856 4.156 9.586 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.707 2.798 12.233 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.083 5.285 11.534 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.822 5.499 11.481 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.306 4.400 13.891 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.770 6.080 13.707 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.576 4.119 15.806 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.340 4.037 15.733 1.00 0.00 H new ATOM 746 N PRO A 49 -4.017 1.799 11.997 1.00 0.00 N ATOM 747 CA PRO A 49 -5.354 1.224 11.870 1.00 0.00 C ATOM 748 C PRO A 49 -6.363 1.946 12.767 1.00 0.00 C ATOM 749 O PRO A 49 -6.892 1.378 13.721 1.00 0.00 O ATOM 750 CB PRO A 49 -5.192 -0.256 12.236 1.00 0.00 C ATOM 751 CG PRO A 49 -4.078 -0.207 13.276 1.00 0.00 C ATOM 752 CD PRO A 49 -3.148 0.864 12.703 1.00 0.00 C ATOM 0 HA PRO A 49 -5.754 1.335 10.862 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.111 -0.678 12.642 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.917 -0.862 11.373 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.454 0.065 14.262 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.576 -1.169 13.380 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.593 1.366 13.495 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.413 0.425 12.028 1.00 0.00 H new ATOM 760 N HIS A 50 -6.636 3.209 12.443 1.00 0.00 N ATOM 761 CA HIS A 50 -7.603 4.051 13.128 1.00 0.00 C ATOM 762 C HIS A 50 -7.806 5.322 12.302 1.00 0.00 C ATOM 763 O HIS A 50 -8.942 5.713 12.048 1.00 0.00 O ATOM 764 CB HIS A 50 -7.153 4.354 14.573 1.00 0.00 C ATOM 765 CG HIS A 50 -8.233 4.261 15.624 1.00 0.00 C ATOM 766 ND1 HIS A 50 -8.300 5.029 16.766 1.00 0.00 N ATOM 767 CD2 HIS A 50 -9.186 3.281 15.736 1.00 0.00 C ATOM 768 CE1 HIS A 50 -9.290 4.538 17.531 1.00 0.00 C ATOM 769 NE2 HIS A 50 -9.860 3.472 16.946 1.00 0.00 N ATOM 0 H HIS A 50 -6.172 3.686 11.670 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.557 3.532 13.215 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.352 3.663 14.838 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -6.730 5.358 14.600 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.381 2.500 15.016 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -9.587 4.945 18.486 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -10.631 2.913 17.312 1.00 0.00 H new ATOM 777 N LEU A 51 -6.713 5.954 11.856 1.00 0.00 N ATOM 778 CA LEU A 51 -6.815 7.132 10.997 1.00 0.00 C ATOM 779 C LEU A 51 -7.434 6.777 9.641 1.00 0.00 C ATOM 780 O LEU A 51 -8.319 7.486 9.167 1.00 0.00 O ATOM 781 CB LEU A 51 -5.469 7.832 10.801 1.00 0.00 C ATOM 782 CG LEU A 51 -5.053 8.744 11.976 1.00 0.00 C ATOM 783 CD1 LEU A 51 -4.729 7.998 13.272 1.00 0.00 C ATOM 784 CD2 LEU A 51 -3.822 9.578 11.604 1.00 0.00 C ATOM 0 H LEU A 51 -5.758 5.670 12.075 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.474 7.832 11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.698 7.077 10.651 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.512 8.429 9.890 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.927 9.370 12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.447 8.714 14.043 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.606 7.439 13.599 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.903 7.308 13.098 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.545 10.214 12.445 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.992 8.914 11.363 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.052 10.200 10.739 1.00 0.00 H new ATOM 796 N ILE A 52 -6.940 5.713 9.000 1.00 0.00 N ATOM 797 CA ILE A 52 -7.303 5.316 7.655 1.00 0.00 C ATOM 798 C ILE A 52 -7.561 3.802 7.655 1.00 0.00 C ATOM 799 O ILE A 52 -7.171 3.120 8.602 1.00 0.00 O ATOM 800 CB ILE A 52 -6.156 5.768 6.728 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.692 6.283 5.405 1.00 0.00 C ATOM 802 CG2 ILE A 52 -5.127 4.672 6.443 1.00 0.00 C ATOM 803 CD1 ILE A 52 -7.162 7.737 5.482 1.00 0.00 C ATOM 0 H ILE A 52 -6.254 5.090 9.426 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.220 5.781 7.292 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.651 6.566 7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.915 6.197 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.523 5.654 5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.351 5.063 5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.676 4.343 7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.619 3.827 5.961 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.535 8.051 4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.959 7.823 6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.327 8.374 5.774 1.00 0.00 H new ATOM 815 N SER A 53 -8.238 3.278 6.626 1.00 0.00 N ATOM 816 CA SER A 53 -8.692 1.894 6.548 1.00 0.00 C ATOM 817 C SER A 53 -8.116 1.199 5.310 1.00 0.00 C ATOM 818 O SER A 53 -7.767 1.870 4.337 1.00 0.00 O ATOM 819 CB SER A 53 -10.223 1.918 6.472 1.00 0.00 C ATOM 820 OG SER A 53 -10.625 2.676 5.343 1.00 0.00 O ATOM 0 H SER A 53 -8.490 3.826 5.803 1.00 0.00 H new ATOM 0 HA SER A 53 -8.353 1.338 7.422 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.611 0.902 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.637 2.352 7.382 1.00 0.00 H new ATOM 0 HG SER A 53 -11.603 2.692 5.291 1.00 0.00 H new ATOM 826 N VAL A 54 -8.070 -0.145 5.326 1.00 0.00 N ATOM 827 CA VAL A 54 -7.712 -0.968 4.169 1.00 0.00 C ATOM 828 C VAL A 54 -8.400 -0.457 2.903 1.00 0.00 C ATOM 829 O VAL A 54 -7.750 -0.304 1.871 1.00 0.00 O ATOM 830 CB VAL A 54 -8.044 -2.455 4.412 1.00 0.00 C ATOM 831 CG1 VAL A 54 -8.045 -3.265 3.105 1.00 0.00 C ATOM 832 CG2 VAL A 54 -7.022 -3.095 5.360 1.00 0.00 C ATOM 0 H VAL A 54 -8.285 -0.693 6.159 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.634 -0.888 4.027 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.041 -2.477 4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.283 -4.306 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.792 -2.856 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.061 -3.208 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.277 -4.143 5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.026 -3.025 4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.035 -2.572 6.316 1.00 0.00 H new ATOM 842 N GLU A 55 -9.713 -0.223 2.985 1.00 0.00 N ATOM 843 CA GLU A 55 -10.499 0.201 1.841 1.00 0.00 C ATOM 844 C GLU A 55 -9.948 1.499 1.257 1.00 0.00 C ATOM 845 O GLU A 55 -9.644 1.514 0.079 1.00 0.00 O ATOM 846 CB GLU A 55 -11.977 0.295 2.213 1.00 0.00 C ATOM 847 CG GLU A 55 -12.886 0.672 1.039 1.00 0.00 C ATOM 848 CD GLU A 55 -13.807 -0.466 0.619 1.00 0.00 C ATOM 849 OE1 GLU A 55 -14.699 -0.794 1.430 1.00 0.00 O ATOM 850 OE2 GLU A 55 -13.588 -0.992 -0.494 1.00 0.00 O ATOM 0 H GLU A 55 -10.251 -0.324 3.845 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.420 -0.550 1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.302 -0.663 2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.097 1.034 3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.488 1.538 1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.271 0.968 0.189 1.00 0.00 H new ATOM 857 N GLU A 56 -9.782 2.565 2.042 1.00 0.00 N ATOM 858 CA GLU A 56 -9.177 3.808 1.600 1.00 0.00 C ATOM 859 C GLU A 56 -7.919 3.500 0.796 1.00 0.00 C ATOM 860 O GLU A 56 -7.807 3.909 -0.359 1.00 0.00 O ATOM 861 CB GLU A 56 -8.858 4.686 2.822 1.00 0.00 C ATOM 862 CG GLU A 56 -9.936 5.749 3.067 1.00 0.00 C ATOM 863 CD GLU A 56 -9.919 6.781 1.951 1.00 0.00 C ATOM 864 OE1 GLU A 56 -8.840 7.388 1.755 1.00 0.00 O ATOM 865 OE2 GLU A 56 -10.935 6.868 1.222 1.00 0.00 O ATOM 0 H GLU A 56 -10.072 2.582 3.020 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.868 4.355 0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.764 4.055 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.895 5.175 2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.917 5.277 3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.764 6.237 4.026 1.00 0.00 H new ATOM 872 N MET A 57 -6.997 2.736 1.392 1.00 0.00 N ATOM 873 CA MET A 57 -5.774 2.353 0.720 1.00 0.00 C ATOM 874 C MET A 57 -6.061 1.670 -0.625 1.00 0.00 C ATOM 875 O MET A 57 -5.684 2.194 -1.667 1.00 0.00 O ATOM 876 CB MET A 57 -4.866 1.530 1.633 1.00 0.00 C ATOM 877 CG MET A 57 -5.045 1.796 3.131 1.00 0.00 C ATOM 878 SD MET A 57 -3.580 1.671 4.159 1.00 0.00 S ATOM 879 CE MET A 57 -2.905 3.296 3.778 1.00 0.00 C ATOM 0 H MET A 57 -7.085 2.375 2.342 1.00 0.00 H new ATOM 0 HA MET A 57 -5.220 3.262 0.485 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.047 0.472 1.443 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.829 1.730 1.365 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.459 2.797 3.251 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.788 1.096 3.513 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.108 3.533 4.483 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.505 3.295 2.764 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.693 4.045 3.856 1.00 0.00 H new ATOM 889 N LYS A 58 -6.731 0.512 -0.624 1.00 0.00 N ATOM 890 CA LYS A 58 -7.040 -0.211 -1.853 1.00 0.00 C ATOM 891 C LYS A 58 -7.790 0.670 -2.827 1.00 0.00 C ATOM 892 O LYS A 58 -7.304 0.891 -3.918 1.00 0.00 O ATOM 893 CB LYS A 58 -7.761 -1.530 -1.569 1.00 0.00 C ATOM 894 CG LYS A 58 -8.733 -2.049 -2.644 1.00 0.00 C ATOM 895 CD LYS A 58 -9.406 -3.341 -2.152 1.00 0.00 C ATOM 896 CE LYS A 58 -10.800 -3.578 -2.754 1.00 0.00 C ATOM 897 NZ LYS A 58 -10.770 -3.851 -4.204 1.00 0.00 N ATOM 0 H LYS A 58 -7.070 0.057 0.223 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.098 -0.480 -2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.006 -2.297 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.317 -1.417 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.488 -1.294 -2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.196 -2.238 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.766 -4.189 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.490 -3.306 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.271 -4.418 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.422 -2.702 -2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.566 -4.470 -4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.847 -2.956 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.875 -4.320 -4.451 1.00 0.00 H new ATOM 911 N LYS A 59 -8.967 1.150 -2.460 1.00 0.00 N ATOM 912 CA LYS A 59 -9.802 2.001 -3.280 1.00 0.00 C ATOM 913 C LYS A 59 -8.944 3.059 -3.962 1.00 0.00 C ATOM 914 O LYS A 59 -8.977 3.166 -5.182 1.00 0.00 O ATOM 915 CB LYS A 59 -10.915 2.584 -2.410 1.00 0.00 C ATOM 916 CG LYS A 59 -12.156 3.037 -3.185 1.00 0.00 C ATOM 917 CD LYS A 59 -12.102 4.540 -3.465 1.00 0.00 C ATOM 918 CE LYS A 59 -13.391 4.991 -4.161 1.00 0.00 C ATOM 919 NZ LYS A 59 -13.479 6.462 -4.222 1.00 0.00 N ATOM 0 H LYS A 59 -9.379 0.948 -1.549 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.280 1.435 -4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.214 1.836 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.518 3.434 -1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.223 2.489 -4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.054 2.801 -2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.972 5.088 -2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.241 4.771 -4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.425 4.580 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.254 4.595 -3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.362 6.738 -4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.470 6.851 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.667 6.837 -4.754 1.00 0.00 H new ATOM 933 N GLN A 60 -8.119 3.785 -3.203 1.00 0.00 N ATOM 934 CA GLN A 60 -7.223 4.757 -3.839 1.00 0.00 C ATOM 935 C GLN A 60 -6.187 4.104 -4.767 1.00 0.00 C ATOM 936 O GLN A 60 -5.910 4.632 -5.844 1.00 0.00 O ATOM 937 CB GLN A 60 -6.527 5.612 -2.782 1.00 0.00 C ATOM 938 CG GLN A 60 -7.324 6.864 -2.370 1.00 0.00 C ATOM 939 CD GLN A 60 -8.808 6.642 -2.065 1.00 0.00 C ATOM 940 OE1 GLN A 60 -9.617 6.424 -2.966 1.00 0.00 O ATOM 941 NE2 GLN A 60 -9.199 6.790 -0.809 1.00 0.00 N ATOM 0 H GLN A 60 -8.051 3.725 -2.187 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.848 5.392 -4.467 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.344 5.002 -1.897 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.553 5.922 -3.162 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.853 7.297 -1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.244 7.601 -3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.510 6.970 -0.078 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.189 6.724 -0.572 1.00 0.00 H new ATOM 950 N ILE A 61 -5.569 2.999 -4.351 1.00 0.00 N ATOM 951 CA ILE A 61 -4.549 2.307 -5.130 1.00 0.00 C ATOM 952 C ILE A 61 -5.175 1.657 -6.364 1.00 0.00 C ATOM 953 O ILE A 61 -4.879 2.076 -7.479 1.00 0.00 O ATOM 954 CB ILE A 61 -3.765 1.336 -4.238 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.973 2.204 -3.242 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.819 0.477 -5.090 1.00 0.00 C ATOM 957 CD1 ILE A 61 -2.155 1.385 -2.251 1.00 0.00 C ATOM 0 H ILE A 61 -5.766 2.556 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.817 3.021 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.430 0.651 -3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.306 2.864 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.667 2.840 -2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.269 -0.208 -4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.400 -0.095 -5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.116 1.123 -5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.621 2.056 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.820 0.744 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.438 0.769 -2.793 1.00 0.00 H new ATOM 969 N GLU A 62 -6.044 0.660 -6.191 1.00 0.00 N ATOM 970 CA GLU A 62 -6.831 0.088 -7.261 1.00 0.00 C ATOM 971 C GLU A 62 -7.433 1.157 -8.184 1.00 0.00 C ATOM 972 O GLU A 62 -7.433 0.950 -9.395 1.00 0.00 O ATOM 973 CB GLU A 62 -7.922 -0.790 -6.630 1.00 0.00 C ATOM 974 CG GLU A 62 -7.814 -2.269 -6.999 1.00 0.00 C ATOM 975 CD GLU A 62 -8.916 -3.041 -6.292 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.059 -2.534 -6.267 1.00 0.00 O ATOM 977 OE2 GLU A 62 -8.635 -4.069 -5.637 1.00 0.00 O ATOM 0 H GLU A 62 -6.217 0.227 -5.284 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.184 -0.515 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.873 -0.691 -5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.899 -0.418 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.900 -2.394 -8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.838 -2.658 -6.710 1.00 0.00 H new ATOM 984 N ALA A 63 -7.912 2.300 -7.660 1.00 0.00 N ATOM 985 CA ALA A 63 -8.461 3.349 -8.524 1.00 0.00 C ATOM 986 C ALA A 63 -7.481 3.802 -9.610 1.00 0.00 C ATOM 987 O ALA A 63 -7.916 4.200 -10.688 1.00 0.00 O ATOM 988 CB ALA A 63 -8.896 4.564 -7.710 1.00 0.00 C ATOM 0 H ALA A 63 -7.929 2.514 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.326 2.903 -9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.299 5.325 -8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.663 4.267 -6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.038 4.969 -7.174 1.00 0.00 H new ATOM 994 N MET A 64 -6.172 3.759 -9.341 1.00 0.00 N ATOM 995 CA MET A 64 -5.166 4.022 -10.355 1.00 0.00 C ATOM 996 C MET A 64 -5.356 3.098 -11.565 1.00 0.00 C ATOM 997 O MET A 64 -5.189 3.527 -12.703 1.00 0.00 O ATOM 998 CB MET A 64 -3.775 3.806 -9.768 1.00 0.00 C ATOM 999 CG MET A 64 -3.388 4.758 -8.636 1.00 0.00 C ATOM 1000 SD MET A 64 -3.458 6.518 -9.052 1.00 0.00 S ATOM 1001 CE MET A 64 -2.397 7.184 -7.757 1.00 0.00 C ATOM 0 H MET A 64 -5.790 3.542 -8.420 1.00 0.00 H new ATOM 0 HA MET A 64 -5.273 5.056 -10.684 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.710 2.783 -9.398 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.042 3.903 -10.569 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.047 4.575 -7.787 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.376 4.518 -8.311 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.155 8.223 -7.983 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.915 7.132 -6.799 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.478 6.601 -7.704 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.673 1.824 -11.305 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.915 0.809 -12.320 1.00 0.00 C ATOM 1013 C GLY A 65 -5.264 -0.518 -11.932 1.00 0.00 C ATOM 1014 O GLY A 65 -5.627 -1.567 -12.456 1.00 0.00 O ATOM 0 H GLY A 65 -5.769 1.468 -10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.988 0.668 -12.450 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.520 1.146 -13.278 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.281 -0.474 -11.030 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.462 -1.623 -10.683 1.00 0.00 C ATOM 1020 C PHE A 66 -4.249 -2.584 -9.789 1.00 0.00 C ATOM 1021 O PHE A 66 -4.571 -2.203 -8.665 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.233 -1.110 -9.929 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.430 -0.074 -10.688 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.792 -0.406 -11.897 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.402 1.253 -10.227 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.180 0.599 -12.666 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.769 2.253 -10.979 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.199 1.932 -12.221 1.00 0.00 C ATOM 0 H PHE A 66 -4.034 0.373 -10.518 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.166 -2.159 -11.585 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.555 -0.681 -8.980 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.586 -1.955 -9.693 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.772 -1.432 -12.234 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.871 1.504 -9.287 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.304 0.347 -13.598 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.720 3.265 -10.605 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.226 2.711 -12.836 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.548 -3.820 -10.219 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.181 -4.782 -9.337 1.00 0.00 C ATOM 1040 C PRO A 67 -4.193 -5.137 -8.225 1.00 0.00 C ATOM 1041 O PRO A 67 -2.997 -5.287 -8.488 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.522 -5.983 -10.219 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.430 -5.940 -11.286 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.166 -4.444 -11.476 1.00 0.00 C ATOM 0 HA PRO A 67 -6.085 -4.409 -8.855 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.502 -6.917 -9.657 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.517 -5.895 -10.655 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.533 -6.467 -10.962 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.758 -6.410 -12.213 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.117 -4.256 -11.704 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.749 -4.045 -12.306 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.684 -5.242 -6.986 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.849 -5.472 -5.820 1.00 0.00 C ATOM 1054 C ALA A 68 -4.502 -6.480 -4.884 1.00 0.00 C ATOM 1055 O ALA A 68 -5.706 -6.409 -4.645 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.615 -4.158 -5.081 1.00 0.00 C ATOM 0 H ALA A 68 -5.678 -5.168 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.892 -5.874 -6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.988 -4.338 -4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.118 -3.451 -5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.572 -3.745 -4.762 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.711 -7.401 -4.330 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.218 -8.436 -3.436 1.00 0.00 C ATOM 1064 C PHE A 69 -3.796 -8.124 -2.005 1.00 0.00 C ATOM 1065 O PHE A 69 -2.946 -8.819 -1.452 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.754 -9.818 -3.895 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.599 -10.444 -4.987 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -4.584 -9.913 -6.289 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -5.425 -11.546 -4.692 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -5.395 -10.478 -7.289 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -6.219 -12.123 -5.697 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.208 -11.586 -6.996 1.00 0.00 C ATOM 0 H PHE A 69 -2.705 -7.448 -4.490 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.308 -8.448 -3.466 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.726 -9.741 -4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.745 -10.487 -3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.949 -9.071 -6.521 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.448 -11.949 -3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.393 -10.059 -8.285 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.838 -12.979 -5.472 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.823 -12.024 -7.768 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.403 -7.092 -1.415 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.288 -6.772 0.007 1.00 0.00 C ATOM 1084 C VAL A 70 -4.784 -7.939 0.856 1.00 0.00 C ATOM 1085 O VAL A 70 -5.987 -8.164 0.953 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.947 -5.428 0.361 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.314 -5.244 -0.284 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -5.042 -5.252 1.883 1.00 0.00 C ATOM 0 H VAL A 70 -5.001 -6.442 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.233 -6.633 0.243 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.301 -4.652 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.725 -4.277 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.213 -5.286 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.983 -6.037 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.511 -4.295 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.641 -6.059 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.042 -5.277 2.315 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.865 -8.689 1.476 1.00 0.00 N ATOM 1099 CA LYS A 71 -4.243 -9.759 2.383 1.00 0.00 C ATOM 1100 C LYS A 71 -3.144 -10.072 3.397 1.00 0.00 C ATOM 1101 O LYS A 71 -2.735 -11.224 3.548 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.709 -10.975 1.587 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.608 -11.473 0.666 1.00 0.00 C ATOM 1104 CD LYS A 71 -4.158 -12.557 -0.274 1.00 0.00 C ATOM 1105 CE LYS A 71 -3.166 -13.708 -0.480 1.00 0.00 C ATOM 1106 NZ LYS A 71 -3.040 -14.543 0.734 1.00 0.00 N ATOM 0 H LYS A 71 -2.859 -8.569 1.361 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.087 -9.427 2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.005 -11.771 2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.590 -10.715 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.208 -10.644 0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.784 -11.875 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.088 -12.951 0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.398 -12.110 -1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.494 -14.327 -1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.190 -13.304 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.498 -15.402 0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.547 -14.006 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.987 -14.810 1.072 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.701 -9.059 4.141 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.798 -9.233 5.264 1.00 0.00 C ATOM 1122 C LYS A 72 -1.985 -8.027 6.177 1.00 0.00 C ATOM 1123 O LYS A 72 -2.167 -6.925 5.665 1.00 0.00 O ATOM 1124 CB LYS A 72 -0.348 -9.326 4.768 1.00 0.00 C ATOM 1125 CG LYS A 72 0.502 -10.273 5.623 1.00 0.00 C ATOM 1126 CD LYS A 72 0.227 -11.744 5.257 1.00 0.00 C ATOM 1127 CE LYS A 72 0.003 -12.617 6.497 1.00 0.00 C ATOM 1128 NZ LYS A 72 1.227 -12.731 7.308 1.00 0.00 N ATOM 0 H LYS A 72 -2.965 -8.088 3.975 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.014 -10.155 5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.342 -9.670 3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.100 -8.333 4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.559 -10.050 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.284 -10.110 6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.651 -11.798 4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.067 -12.137 4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.797 -12.191 7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.324 -13.610 6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.620 -13.689 7.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.927 -12.035 6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.000 -12.550 8.307 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.954 -8.248 7.491 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.921 -7.217 8.516 1.00 0.00 C ATOM 1144 C ILE A 73 -0.917 -7.723 9.556 1.00 0.00 C ATOM 1145 O ILE A 73 -1.309 -8.403 10.501 1.00 0.00 O ATOM 1146 CB ILE A 73 -3.332 -6.969 9.107 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -4.327 -6.406 8.068 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -3.265 -5.952 10.259 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -5.165 -7.484 7.371 1.00 0.00 C ATOM 0 H ILE A 73 -1.951 -9.190 7.881 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.615 -6.247 8.124 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.681 -7.943 9.450 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.996 -5.702 8.563 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.774 -5.845 7.315 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.265 -5.791 10.661 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.615 -6.336 11.046 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.867 -5.008 9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.840 -7.014 6.656 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.505 -8.175 6.847 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.746 -8.030 8.114 1.00 0.00 H new ATOM 1161 N GLU A 74 0.375 -7.443 9.354 1.00 0.00 N ATOM 1162 CA GLU A 74 1.407 -7.717 10.357 1.00 0.00 C ATOM 1163 C GLU A 74 1.662 -6.430 11.145 1.00 0.00 C ATOM 1164 O GLU A 74 1.213 -5.360 10.740 1.00 0.00 O ATOM 1165 CB GLU A 74 2.704 -8.235 9.702 1.00 0.00 C ATOM 1166 CG GLU A 74 2.989 -9.712 9.992 1.00 0.00 C ATOM 1167 CD GLU A 74 2.247 -10.620 9.036 1.00 0.00 C ATOM 1168 OE1 GLU A 74 2.571 -10.592 7.827 1.00 0.00 O ATOM 1169 OE2 GLU A 74 1.379 -11.405 9.477 1.00 0.00 O ATOM 0 H GLU A 74 0.732 -7.023 8.496 1.00 0.00 H new ATOM 0 HA GLU A 74 1.063 -8.502 11.031 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.639 -8.091 8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.544 -7.636 10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.060 -9.899 9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.698 -9.945 11.016 1.00 0.00 H new ATOM 1176 N GLY A 75 2.410 -6.509 12.248 1.00 0.00 N ATOM 1177 CA GLY A 75 2.710 -5.345 13.063 1.00 0.00 C ATOM 1178 C GLY A 75 3.598 -5.728 14.241 1.00 0.00 C ATOM 1179 O GLY A 75 4.301 -6.735 14.188 1.00 0.00 O ATOM 0 H GLY A 75 2.819 -7.377 12.593 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.208 -4.588 12.456 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.784 -4.902 13.428 1.00 0.00 H new ATOM 1183 N ARG A 76 3.536 -4.921 15.300 1.00 0.00 N ATOM 1184 CA ARG A 76 4.164 -5.103 16.593 1.00 0.00 C ATOM 1185 C ARG A 76 3.077 -4.626 17.562 1.00 0.00 C ATOM 1186 O ARG A 76 2.958 -5.197 18.668 1.00 0.00 O ATOM 1187 CB ARG A 76 5.427 -4.218 16.653 1.00 0.00 C ATOM 1188 CG ARG A 76 6.429 -4.501 17.789 1.00 0.00 C ATOM 1189 CD ARG A 76 5.734 -4.607 19.148 1.00 0.00 C ATOM 1190 NE ARG A 76 6.590 -4.255 20.288 1.00 0.00 N ATOM 1191 CZ ARG A 76 6.128 -4.282 21.549 1.00 0.00 C ATOM 1192 NH1 ARG A 76 4.971 -4.902 21.814 1.00 0.00 N ATOM 1193 NH2 ARG A 76 6.807 -3.672 22.528 1.00 0.00 N ATOM 1194 OXT ARG A 76 2.376 -3.664 17.160 1.00 0.00 O ATOM 0 H ARG A 76 2.999 -4.054 15.265 1.00 0.00 H new ATOM 0 HA ARG A 76 4.490 -6.119 16.815 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.955 -4.317 15.704 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.108 -3.179 16.734 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.962 -5.429 17.580 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.174 -3.706 17.823 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.860 -3.956 19.149 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.372 -5.627 19.280 1.00 0.00 H new ATOM 0 HE ARG A 76 7.558 -3.984 20.118 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.448 -5.349 21.061 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.613 -4.927 22.769 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.678 -3.185 22.318 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.453 -3.694 23.484 1.00 0.00 H new TER 1208 ARG A 76 HETATM 1209 CU CU1 A 77 5.244 0.231 -14.254 1.00 0.00 CU