USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 481 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 30 CYS SG : rot 180:sc= -2.2! USER MOD Set 1.2: A 36 ASN : amide:sc= -8.97! C(o=-11!,f=-19!) USER MOD Set 2.1: A 24 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Set 2.2: A 28 MET CE :methyl 167:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 83:sc= 0.169 USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= -1.52 (180deg=-1.55) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -4.28! C(o=-4.3!,f=-5.4!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.4) USER MOD Single : A 20 ASN : amide:sc= -0.0463 K(o=-0.046,f=-1.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.2! K(o=-3.2!,f=-1.9) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 30:sc= -2.45! USER MOD Single : A 41 GLN : amide:sc= -0.584 X(o=-0.58,f=-0.19) USER MOD Single : A 42 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.4) USER MOD Single : A 44 LYS NZ :NH3+ -130:sc= -2.03 (180deg=-4.44!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= -0.948! (180deg=-1.17!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.15) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -27:sc= 0.23 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.808 -3.020 -0.715 1.00 0.00 N ATOM 2 CA PRO A 1 -12.858 -3.555 0.295 1.00 0.00 C ATOM 3 C PRO A 1 -12.908 -2.672 1.549 1.00 0.00 C ATOM 4 O PRO A 1 -11.925 -2.497 2.242 1.00 0.00 O ATOM 5 CB PRO A 1 -11.450 -3.535 -0.333 1.00 0.00 C ATOM 6 CG PRO A 1 -11.525 -2.449 -1.371 1.00 0.00 C ATOM 7 CD PRO A 1 -13.006 -2.373 -1.785 1.00 0.00 C ATOM 0 H2 PRO A 1 -14.445 -2.347 -0.288 1.00 0.00 H new ATOM 0 H3 PRO A 1 -14.382 -3.770 -1.101 1.00 0.00 H new ATOM 0 HA PRO A 1 -13.117 -4.573 0.585 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -10.684 -3.321 0.413 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -11.200 -4.497 -0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -11.182 -1.497 -0.967 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -10.890 -2.680 -2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -13.313 -1.336 -1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -13.163 -2.877 -2.738 1.00 0.00 H new ATOM 17 N GLU A 2 -14.050 -2.112 1.847 1.00 0.00 N ATOM 18 CA GLU A 2 -14.159 -1.242 3.052 1.00 0.00 C ATOM 19 C GLU A 2 -13.697 -2.016 4.287 1.00 0.00 C ATOM 20 O GLU A 2 -13.185 -1.450 5.232 1.00 0.00 O ATOM 21 CB GLU A 2 -15.612 -0.806 3.246 1.00 0.00 C ATOM 22 CG GLU A 2 -16.137 -0.184 1.951 1.00 0.00 C ATOM 23 CD GLU A 2 -17.565 0.321 2.169 1.00 0.00 C ATOM 24 OE1 GLU A 2 -17.814 0.900 3.214 1.00 0.00 O ATOM 25 OE2 GLU A 2 -18.384 0.121 1.288 1.00 0.00 O ATOM 0 H GLU A 2 -14.910 -2.220 1.309 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.531 -0.362 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -16.225 -1.663 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.681 -0.086 4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.492 0.639 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.119 -0.921 1.148 1.00 0.00 H new ATOM 32 N GLU A 3 -13.877 -3.308 4.286 1.00 0.00 N ATOM 33 CA GLU A 3 -13.451 -4.116 5.460 1.00 0.00 C ATOM 34 C GLU A 3 -11.957 -3.910 5.704 1.00 0.00 C ATOM 35 O GLU A 3 -11.527 -3.678 6.816 1.00 0.00 O ATOM 36 CB GLU A 3 -13.744 -5.596 5.194 1.00 0.00 C ATOM 37 CG GLU A 3 -12.842 -6.134 4.071 1.00 0.00 C ATOM 38 CD GLU A 3 -13.409 -7.454 3.539 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.446 -8.409 4.298 1.00 0.00 O ATOM 40 OE2 GLU A 3 -13.796 -7.487 2.382 1.00 0.00 O ATOM 0 H GLU A 3 -14.300 -3.837 3.524 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.002 -3.799 6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.583 -6.173 6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.791 -5.721 4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.776 -5.404 3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.830 -6.287 4.446 1.00 0.00 H new ATOM 47 N VAL A 4 -11.162 -3.981 4.673 1.00 0.00 N ATOM 48 CA VAL A 4 -9.702 -3.775 4.855 1.00 0.00 C ATOM 49 C VAL A 4 -9.466 -2.322 5.241 1.00 0.00 C ATOM 50 O VAL A 4 -8.680 -2.023 6.112 1.00 0.00 O ATOM 51 CB VAL A 4 -8.964 -4.082 3.552 1.00 0.00 C ATOM 52 CG1 VAL A 4 -7.457 -3.889 3.758 1.00 0.00 C ATOM 53 CG2 VAL A 4 -9.248 -5.529 3.142 1.00 0.00 C ATOM 0 H VAL A 4 -11.460 -4.172 3.717 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.329 -4.440 5.634 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.307 -3.407 2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.932 -4.108 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.259 -2.858 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.107 -4.563 4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.724 -5.753 2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.903 -6.204 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.320 -5.662 2.995 1.00 0.00 H new ATOM 63 N ILE A 5 -10.154 -1.415 4.606 1.00 0.00 N ATOM 64 CA ILE A 5 -9.969 0.026 4.943 1.00 0.00 C ATOM 65 C ILE A 5 -10.137 0.206 6.448 1.00 0.00 C ATOM 66 O ILE A 5 -9.608 1.127 7.039 1.00 0.00 O ATOM 67 CB ILE A 5 -11.008 0.879 4.210 1.00 0.00 C ATOM 68 CG1 ILE A 5 -10.801 0.728 2.692 1.00 0.00 C ATOM 69 CG2 ILE A 5 -10.832 2.349 4.618 1.00 0.00 C ATOM 70 CD1 ILE A 5 -11.899 1.468 1.905 1.00 0.00 C ATOM 0 H ILE A 5 -10.834 -1.607 3.871 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.973 0.344 4.635 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.014 0.551 4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.823 1.121 2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.807 -0.329 2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.569 2.961 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.972 2.447 5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.830 2.683 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.727 1.344 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -12.874 1.056 2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.874 2.529 2.156 1.00 0.00 H new ATOM 82 N SER A 6 -10.862 -0.674 7.071 1.00 0.00 N ATOM 83 CA SER A 6 -11.056 -0.563 8.539 1.00 0.00 C ATOM 84 C SER A 6 -9.728 -0.849 9.243 1.00 0.00 C ATOM 85 O SER A 6 -9.404 -0.243 10.243 1.00 0.00 O ATOM 86 CB SER A 6 -12.110 -1.575 8.997 1.00 0.00 C ATOM 87 OG SER A 6 -13.252 -1.475 8.156 1.00 0.00 O ATOM 0 H SER A 6 -11.329 -1.465 6.628 1.00 0.00 H new ATOM 0 HA SER A 6 -11.394 0.443 8.789 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.702 -2.585 8.958 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.389 -1.384 10.033 1.00 0.00 H new ATOM 0 HG SER A 6 -13.106 -2.002 7.342 1.00 0.00 H new ATOM 93 N LYS A 7 -8.961 -1.782 8.737 1.00 0.00 N ATOM 94 CA LYS A 7 -7.657 -2.119 9.390 1.00 0.00 C ATOM 95 C LYS A 7 -6.613 -1.020 9.112 1.00 0.00 C ATOM 96 O LYS A 7 -5.733 -0.775 9.913 1.00 0.00 O ATOM 97 CB LYS A 7 -7.180 -3.514 8.900 1.00 0.00 C ATOM 98 CG LYS A 7 -6.309 -3.428 7.614 1.00 0.00 C ATOM 99 CD LYS A 7 -4.806 -3.306 7.974 1.00 0.00 C ATOM 100 CE LYS A 7 -4.158 -4.698 8.042 1.00 0.00 C ATOM 101 NZ LYS A 7 -5.006 -5.609 8.861 1.00 0.00 N ATOM 0 H LYS A 7 -9.180 -2.325 7.902 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.788 -2.166 10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.607 -3.997 9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.048 -4.144 8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.470 -4.315 7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.616 -2.568 7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.295 -2.696 7.229 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.695 -2.799 8.932 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.038 -5.103 7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.161 -4.625 8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.516 -6.517 8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.183 -5.177 9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.912 -5.770 8.376 1.00 0.00 H new ATOM 115 N ILE A 8 -6.698 -0.364 7.984 1.00 0.00 N ATOM 116 CA ILE A 8 -5.707 0.708 7.656 1.00 0.00 C ATOM 117 C ILE A 8 -5.758 1.801 8.731 1.00 0.00 C ATOM 118 O ILE A 8 -4.796 2.511 8.950 1.00 0.00 O ATOM 119 CB ILE A 8 -6.037 1.337 6.287 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.319 0.252 5.222 1.00 0.00 C ATOM 121 CG2 ILE A 8 -4.878 2.229 5.831 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.054 -0.519 4.835 1.00 0.00 C ATOM 0 H ILE A 8 -7.412 -0.524 7.273 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.711 0.266 7.621 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.938 1.940 6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.065 -0.445 5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.744 0.719 4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.117 2.670 4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.720 3.022 6.562 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.971 1.631 5.743 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.301 -1.270 4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.317 0.173 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.642 -1.009 5.717 1.00 0.00 H new ATOM 134 N MET A 9 -6.871 1.948 9.397 1.00 0.00 N ATOM 135 CA MET A 9 -6.979 3.003 10.448 1.00 0.00 C ATOM 136 C MET A 9 -5.879 2.795 11.495 1.00 0.00 C ATOM 137 O MET A 9 -5.685 3.603 12.381 1.00 0.00 O ATOM 138 CB MET A 9 -8.367 2.921 11.112 1.00 0.00 C ATOM 139 CG MET A 9 -8.422 1.755 12.115 1.00 0.00 C ATOM 140 SD MET A 9 -10.149 1.330 12.453 1.00 0.00 S ATOM 141 CE MET A 9 -9.835 0.154 13.792 1.00 0.00 C ATOM 0 H MET A 9 -7.710 1.384 9.260 1.00 0.00 H new ATOM 0 HA MET A 9 -6.857 3.988 9.997 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.587 3.858 11.624 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.134 2.787 10.349 1.00 0.00 H new ATOM 0 HG2 MET A 9 -7.896 0.890 11.712 1.00 0.00 H new ATOM 0 HG3 MET A 9 -7.917 2.033 13.040 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.782 -0.241 14.159 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.220 -0.665 13.420 1.00 0.00 H new ATOM 0 HE3 MET A 9 -9.314 0.659 14.605 1.00 0.00 H new ATOM 151 N GLU A 10 -5.164 1.711 11.394 1.00 0.00 N ATOM 152 CA GLU A 10 -4.080 1.431 12.372 1.00 0.00 C ATOM 153 C GLU A 10 -2.953 2.450 12.201 1.00 0.00 C ATOM 154 O GLU A 10 -2.050 2.533 13.008 1.00 0.00 O ATOM 155 CB GLU A 10 -3.543 0.020 12.119 1.00 0.00 C ATOM 156 CG GLU A 10 -2.934 -0.060 10.711 1.00 0.00 C ATOM 157 CD GLU A 10 -2.668 -1.524 10.349 1.00 0.00 C ATOM 158 OE1 GLU A 10 -2.562 -2.329 11.260 1.00 0.00 O ATOM 159 OE2 GLU A 10 -2.575 -1.814 9.169 1.00 0.00 O ATOM 0 H GLU A 10 -5.286 1.002 10.670 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.470 1.504 13.387 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.790 -0.232 12.866 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.347 -0.709 12.219 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.612 0.387 9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.005 0.509 10.673 1.00 0.00 H new ATOM 166 N ASN A 11 -2.995 3.221 11.148 1.00 0.00 N ATOM 167 CA ASN A 11 -1.923 4.230 10.910 1.00 0.00 C ATOM 168 C ASN A 11 -2.464 5.330 9.986 1.00 0.00 C ATOM 169 O ASN A 11 -2.367 5.221 8.780 1.00 0.00 O ATOM 170 CB ASN A 11 -0.734 3.541 10.229 1.00 0.00 C ATOM 171 CG ASN A 11 -0.045 2.601 11.221 1.00 0.00 C ATOM 172 OD1 ASN A 11 0.186 1.447 10.923 1.00 0.00 O ATOM 173 ND2 ASN A 11 0.297 3.051 12.398 1.00 0.00 N ATOM 0 H ASN A 11 -3.729 3.195 10.440 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.607 4.667 11.857 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.076 2.980 9.359 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.026 4.288 9.869 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.758 2.433 13.066 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.103 4.020 12.649 1.00 0.00 H new ATOM 180 N PRO A 12 -3.031 6.385 10.531 1.00 0.00 N ATOM 181 CA PRO A 12 -3.582 7.502 9.708 1.00 0.00 C ATOM 182 C PRO A 12 -2.608 7.926 8.602 1.00 0.00 C ATOM 183 O PRO A 12 -2.960 8.641 7.685 1.00 0.00 O ATOM 184 CB PRO A 12 -3.791 8.626 10.732 1.00 0.00 C ATOM 185 CG PRO A 12 -4.081 7.906 12.010 1.00 0.00 C ATOM 186 CD PRO A 12 -3.215 6.639 11.976 1.00 0.00 C ATOM 0 HA PRO A 12 -4.497 7.227 9.184 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.905 9.254 10.821 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.616 9.278 10.446 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.836 8.525 12.873 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.139 7.656 12.087 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.261 6.791 12.481 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.708 5.802 12.471 1.00 0.00 H new ATOM 194 N ASP A 13 -1.387 7.475 8.683 1.00 0.00 N ATOM 195 CA ASP A 13 -0.381 7.828 7.644 1.00 0.00 C ATOM 196 C ASP A 13 -0.724 7.093 6.348 1.00 0.00 C ATOM 197 O ASP A 13 -0.648 7.645 5.268 1.00 0.00 O ATOM 198 CB ASP A 13 1.009 7.403 8.121 1.00 0.00 C ATOM 199 CG ASP A 13 2.064 7.896 7.129 1.00 0.00 C ATOM 200 OD1 ASP A 13 2.326 7.186 6.172 1.00 0.00 O ATOM 201 OD2 ASP A 13 2.592 8.975 7.343 1.00 0.00 O ATOM 0 H ASP A 13 -1.041 6.873 9.430 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.390 8.904 7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.206 7.814 9.111 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.058 6.318 8.210 1.00 0.00 H new ATOM 206 N VAL A 14 -1.112 5.850 6.451 1.00 0.00 N ATOM 207 CA VAL A 14 -1.476 5.072 5.234 1.00 0.00 C ATOM 208 C VAL A 14 -2.849 5.528 4.767 1.00 0.00 C ATOM 209 O VAL A 14 -3.111 5.649 3.587 1.00 0.00 O ATOM 210 CB VAL A 14 -1.513 3.583 5.585 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.855 2.768 4.338 1.00 0.00 C ATOM 212 CG2 VAL A 14 -0.145 3.149 6.122 1.00 0.00 C ATOM 0 H VAL A 14 -1.192 5.339 7.330 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.744 5.234 4.442 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.273 3.411 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.880 1.708 4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.830 3.074 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.098 2.940 3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.172 2.088 6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.616 3.323 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.095 3.726 7.015 1.00 0.00 H new ATOM 222 N ALA A 15 -3.722 5.799 5.689 1.00 0.00 N ATOM 223 CA ALA A 15 -5.076 6.271 5.313 1.00 0.00 C ATOM 224 C ALA A 15 -4.935 7.575 4.528 1.00 0.00 C ATOM 225 O ALA A 15 -5.666 7.838 3.594 1.00 0.00 O ATOM 226 CB ALA A 15 -5.878 6.518 6.586 1.00 0.00 C ATOM 0 H ALA A 15 -3.555 5.713 6.692 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.587 5.529 4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.877 6.866 6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.954 5.591 7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.377 7.274 7.191 1.00 0.00 H new ATOM 232 N MET A 16 -3.982 8.386 4.901 1.00 0.00 N ATOM 233 CA MET A 16 -3.759 9.670 4.182 1.00 0.00 C ATOM 234 C MET A 16 -3.069 9.366 2.857 1.00 0.00 C ATOM 235 O MET A 16 -3.293 10.022 1.862 1.00 0.00 O ATOM 236 CB MET A 16 -2.861 10.577 5.031 1.00 0.00 C ATOM 237 CG MET A 16 -3.668 11.181 6.187 1.00 0.00 C ATOM 238 SD MET A 16 -4.795 12.441 5.541 1.00 0.00 S ATOM 239 CE MET A 16 -5.924 12.481 6.955 1.00 0.00 C ATOM 0 H MET A 16 -3.345 8.211 5.678 1.00 0.00 H new ATOM 0 HA MET A 16 -4.709 10.173 4.003 1.00 0.00 H new ATOM 0 HB2 MET A 16 -2.020 10.005 5.423 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.445 11.372 4.413 1.00 0.00 H new ATOM 0 HG2 MET A 16 -4.232 10.401 6.698 1.00 0.00 H new ATOM 0 HG3 MET A 16 -2.996 11.622 6.923 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.715 13.207 6.768 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.364 11.494 7.098 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.374 12.766 7.852 1.00 0.00 H new ATOM 249 N ALA A 17 -2.235 8.365 2.841 1.00 0.00 N ATOM 250 CA ALA A 17 -1.529 8.001 1.584 1.00 0.00 C ATOM 251 C ALA A 17 -2.533 7.332 0.653 1.00 0.00 C ATOM 252 O ALA A 17 -2.471 7.458 -0.554 1.00 0.00 O ATOM 253 CB ALA A 17 -0.394 7.028 1.908 1.00 0.00 C ATOM 0 H ALA A 17 -2.012 7.782 3.648 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.111 8.888 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.127 6.758 0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.306 7.502 2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.805 6.130 2.369 1.00 0.00 H new ATOM 259 N PHE A 18 -3.469 6.627 1.221 1.00 0.00 N ATOM 260 CA PHE A 18 -4.508 5.942 0.402 1.00 0.00 C ATOM 261 C PHE A 18 -5.183 6.968 -0.527 1.00 0.00 C ATOM 262 O PHE A 18 -5.818 6.611 -1.499 1.00 0.00 O ATOM 263 CB PHE A 18 -5.555 5.327 1.359 1.00 0.00 C ATOM 264 CG PHE A 18 -5.340 3.829 1.522 1.00 0.00 C ATOM 265 CD1 PHE A 18 -4.046 3.315 1.676 1.00 0.00 C ATOM 266 CD2 PHE A 18 -6.441 2.957 1.530 1.00 0.00 C ATOM 267 CE1 PHE A 18 -3.852 1.937 1.835 1.00 0.00 C ATOM 268 CE2 PHE A 18 -6.245 1.581 1.689 1.00 0.00 C ATOM 269 CZ PHE A 18 -4.951 1.071 1.842 1.00 0.00 C ATOM 0 H PHE A 18 -3.560 6.494 2.228 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.058 5.158 -0.207 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.492 5.814 2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.557 5.513 0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.197 3.982 1.672 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.440 3.349 1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.853 1.543 1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.093 0.912 1.694 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.800 0.009 1.966 1.00 0.00 H new ATOM 279 N GLN A 19 -5.060 8.236 -0.230 1.00 0.00 N ATOM 280 CA GLN A 19 -5.705 9.276 -1.091 1.00 0.00 C ATOM 281 C GLN A 19 -4.870 9.491 -2.359 1.00 0.00 C ATOM 282 O GLN A 19 -5.087 10.429 -3.101 1.00 0.00 O ATOM 283 CB GLN A 19 -5.826 10.595 -0.294 1.00 0.00 C ATOM 284 CG GLN A 19 -4.526 11.423 -0.394 1.00 0.00 C ATOM 285 CD GLN A 19 -4.466 12.441 0.750 1.00 0.00 C ATOM 286 OE1 GLN A 19 -3.417 12.979 1.045 1.00 0.00 O ATOM 287 NE2 GLN A 19 -5.555 12.730 1.409 1.00 0.00 N ATOM 0 H GLN A 19 -4.542 8.597 0.571 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.701 8.945 -1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.664 11.179 -0.675 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.041 10.374 0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.660 10.763 -0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.486 11.939 -1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.436 12.279 1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.525 13.407 2.171 1.00 0.00 H new ATOM 296 N ASN A 20 -3.920 8.623 -2.614 1.00 0.00 N ATOM 297 CA ASN A 20 -3.062 8.757 -3.830 1.00 0.00 C ATOM 298 C ASN A 20 -3.478 7.667 -4.827 1.00 0.00 C ATOM 299 O ASN A 20 -3.760 6.554 -4.432 1.00 0.00 O ATOM 300 CB ASN A 20 -1.594 8.557 -3.427 1.00 0.00 C ATOM 301 CG ASN A 20 -1.076 9.810 -2.716 1.00 0.00 C ATOM 302 OD1 ASN A 20 -1.416 10.917 -3.086 1.00 0.00 O ATOM 303 ND2 ASN A 20 -0.263 9.682 -1.704 1.00 0.00 N ATOM 0 H ASN A 20 -3.702 7.820 -2.024 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.179 9.742 -4.282 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.502 7.691 -2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.989 8.353 -4.311 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.087 10.511 -1.223 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.022 8.753 -1.393 1.00 0.00 H new ATOM 310 N PRO A 21 -3.535 7.963 -6.105 1.00 0.00 N ATOM 311 CA PRO A 21 -3.945 6.953 -7.119 1.00 0.00 C ATOM 312 C PRO A 21 -2.880 5.865 -7.303 1.00 0.00 C ATOM 313 O PRO A 21 -3.182 4.688 -7.342 1.00 0.00 O ATOM 314 CB PRO A 21 -4.134 7.779 -8.402 1.00 0.00 C ATOM 315 CG PRO A 21 -3.218 8.949 -8.233 1.00 0.00 C ATOM 316 CD PRO A 21 -3.215 9.263 -6.731 1.00 0.00 C ATOM 0 HA PRO A 21 -4.847 6.414 -6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.878 7.199 -9.289 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.169 8.099 -8.519 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.214 8.714 -8.585 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.566 9.805 -8.811 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.246 9.639 -6.402 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.955 10.023 -6.478 1.00 0.00 H new ATOM 324 N ARG A 22 -1.638 6.250 -7.411 1.00 0.00 N ATOM 325 CA ARG A 22 -0.559 5.239 -7.587 1.00 0.00 C ATOM 326 C ARG A 22 -0.583 4.273 -6.399 1.00 0.00 C ATOM 327 O ARG A 22 -0.237 3.114 -6.519 1.00 0.00 O ATOM 328 CB ARG A 22 0.799 5.949 -7.661 1.00 0.00 C ATOM 329 CG ARG A 22 0.704 7.133 -8.632 1.00 0.00 C ATOM 330 CD ARG A 22 2.099 7.713 -8.888 1.00 0.00 C ATOM 331 NE ARG A 22 1.969 9.034 -9.570 1.00 0.00 N ATOM 332 CZ ARG A 22 1.563 10.083 -8.902 1.00 0.00 C ATOM 333 NH1 ARG A 22 1.272 9.981 -7.634 1.00 0.00 N ATOM 334 NH2 ARG A 22 1.449 11.234 -9.506 1.00 0.00 N ATOM 0 H ARG A 22 -1.324 7.220 -7.385 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.717 4.681 -8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.093 6.299 -6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.568 5.252 -7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.258 6.808 -9.572 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.052 7.902 -8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.635 7.829 -7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.682 7.029 -9.505 1.00 0.00 H new ATOM 0 HE ARG A 22 2.197 9.119 -10.560 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.361 9.082 -7.161 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.956 10.801 -7.116 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.676 11.315 -10.497 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.133 12.053 -8.987 1.00 0.00 H new ATOM 348 N VAL A 23 -1.004 4.743 -5.256 1.00 0.00 N ATOM 349 CA VAL A 23 -1.072 3.859 -4.057 1.00 0.00 C ATOM 350 C VAL A 23 -2.262 2.912 -4.217 1.00 0.00 C ATOM 351 O VAL A 23 -2.130 1.709 -4.116 1.00 0.00 O ATOM 352 CB VAL A 23 -1.251 4.723 -2.800 1.00 0.00 C ATOM 353 CG1 VAL A 23 -1.518 3.834 -1.575 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.026 5.539 -2.568 1.00 0.00 C ATOM 0 H VAL A 23 -1.305 5.705 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.154 3.279 -3.959 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.101 5.390 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.643 4.460 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.425 3.252 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.676 3.159 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.093 6.155 -1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.870 4.863 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.210 6.180 -3.430 1.00 0.00 H new ATOM 364 N GLN A 24 -3.422 3.448 -4.479 1.00 0.00 N ATOM 365 CA GLN A 24 -4.617 2.580 -4.661 1.00 0.00 C ATOM 366 C GLN A 24 -4.362 1.641 -5.840 1.00 0.00 C ATOM 367 O GLN A 24 -4.791 0.506 -5.851 1.00 0.00 O ATOM 368 CB GLN A 24 -5.843 3.450 -4.948 1.00 0.00 C ATOM 369 CG GLN A 24 -7.099 2.576 -4.971 1.00 0.00 C ATOM 370 CD GLN A 24 -8.332 3.458 -5.174 1.00 0.00 C ATOM 371 OE1 GLN A 24 -8.246 4.515 -5.768 1.00 0.00 O ATOM 372 NE2 GLN A 24 -9.484 3.067 -4.703 1.00 0.00 N ATOM 0 H GLN A 24 -3.593 4.449 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.799 1.999 -3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.940 4.223 -4.185 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.724 3.959 -5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.029 1.841 -5.773 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.186 2.021 -4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.557 2.180 -4.204 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.312 3.648 -4.833 1.00 0.00 H new ATOM 381 N ALA A 25 -3.654 2.111 -6.831 1.00 0.00 N ATOM 382 CA ALA A 25 -3.353 1.255 -8.013 1.00 0.00 C ATOM 383 C ALA A 25 -2.337 0.188 -7.611 1.00 0.00 C ATOM 384 O ALA A 25 -2.347 -0.916 -8.117 1.00 0.00 O ATOM 385 CB ALA A 25 -2.769 2.123 -9.129 1.00 0.00 C ATOM 0 H ALA A 25 -3.270 3.055 -6.872 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.266 0.776 -8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.547 1.501 -9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.491 2.891 -9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.852 2.597 -8.779 1.00 0.00 H new ATOM 391 N ALA A 26 -1.466 0.506 -6.696 1.00 0.00 N ATOM 392 CA ALA A 26 -0.457 -0.492 -6.251 1.00 0.00 C ATOM 393 C ALA A 26 -1.172 -1.606 -5.483 1.00 0.00 C ATOM 394 O ALA A 26 -0.908 -2.776 -5.674 1.00 0.00 O ATOM 395 CB ALA A 26 0.565 0.193 -5.340 1.00 0.00 C ATOM 0 H ALA A 26 -1.410 1.415 -6.237 1.00 0.00 H new ATOM 0 HA ALA A 26 0.060 -0.914 -7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.306 -0.536 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.061 0.994 -5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.056 0.609 -4.471 1.00 0.00 H new ATOM 401 N LEU A 27 -2.085 -1.245 -4.621 1.00 0.00 N ATOM 402 CA LEU A 27 -2.834 -2.274 -3.842 1.00 0.00 C ATOM 403 C LEU A 27 -3.811 -2.993 -4.771 1.00 0.00 C ATOM 404 O LEU A 27 -3.865 -4.205 -4.811 1.00 0.00 O ATOM 405 CB LEU A 27 -3.615 -1.594 -2.713 1.00 0.00 C ATOM 406 CG LEU A 27 -2.652 -0.817 -1.794 1.00 0.00 C ATOM 407 CD1 LEU A 27 -3.449 0.180 -0.947 1.00 0.00 C ATOM 408 CD2 LEU A 27 -1.901 -1.784 -0.861 1.00 0.00 C ATOM 0 H LEU A 27 -2.345 -0.279 -4.422 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.133 -2.992 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.357 -0.915 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.158 -2.342 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.929 -0.287 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.769 0.730 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.970 0.879 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.176 -0.359 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.225 -1.219 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.618 -2.326 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.327 -2.493 -1.458 1.00 0.00 H new ATOM 420 N MET A 28 -4.579 -2.256 -5.528 1.00 0.00 N ATOM 421 CA MET A 28 -5.539 -2.908 -6.460 1.00 0.00 C ATOM 422 C MET A 28 -4.752 -3.825 -7.396 1.00 0.00 C ATOM 423 O MET A 28 -5.173 -4.920 -7.711 1.00 0.00 O ATOM 424 CB MET A 28 -6.274 -1.835 -7.279 1.00 0.00 C ATOM 425 CG MET A 28 -7.349 -1.163 -6.417 1.00 0.00 C ATOM 426 SD MET A 28 -8.262 0.035 -7.421 1.00 0.00 S ATOM 427 CE MET A 28 -9.707 0.182 -6.342 1.00 0.00 C ATOM 0 H MET A 28 -4.582 -1.236 -5.540 1.00 0.00 H new ATOM 0 HA MET A 28 -6.274 -3.486 -5.900 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.564 -1.089 -7.637 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.732 -2.287 -8.159 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.031 -1.913 -6.016 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.888 -0.664 -5.565 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.303 1.042 -6.647 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.311 -0.722 -6.417 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.379 0.315 -5.311 1.00 0.00 H new ATOM 437 N GLU A 29 -3.600 -3.388 -7.829 1.00 0.00 N ATOM 438 CA GLU A 29 -2.773 -4.237 -8.727 1.00 0.00 C ATOM 439 C GLU A 29 -2.150 -5.366 -7.906 1.00 0.00 C ATOM 440 O GLU A 29 -1.848 -6.425 -8.420 1.00 0.00 O ATOM 441 CB GLU A 29 -1.666 -3.390 -9.362 1.00 0.00 C ATOM 442 CG GLU A 29 -0.874 -4.245 -10.359 1.00 0.00 C ATOM 443 CD GLU A 29 0.078 -3.352 -11.158 1.00 0.00 C ATOM 444 OE1 GLU A 29 -0.395 -2.656 -12.041 1.00 0.00 O ATOM 445 OE2 GLU A 29 1.264 -3.381 -10.874 1.00 0.00 O ATOM 0 H GLU A 29 -3.198 -2.479 -7.598 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.397 -4.656 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.099 -2.528 -9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.001 -3.004 -8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.310 -5.012 -9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.557 -4.761 -11.034 1.00 0.00 H new ATOM 452 N CYS A 30 -1.956 -5.153 -6.629 1.00 0.00 N ATOM 453 CA CYS A 30 -1.354 -6.226 -5.785 1.00 0.00 C ATOM 454 C CYS A 30 -2.226 -7.481 -5.858 1.00 0.00 C ATOM 455 O CYS A 30 -1.735 -8.592 -5.836 1.00 0.00 O ATOM 456 CB CYS A 30 -1.256 -5.750 -4.332 1.00 0.00 C ATOM 457 SG CYS A 30 -0.232 -6.905 -3.387 1.00 0.00 S ATOM 0 H CYS A 30 -2.187 -4.289 -6.138 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.354 -6.456 -6.153 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.825 -4.750 -4.294 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.251 -5.685 -3.891 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.147 -6.501 -2.154 1.00 0.00 H new ATOM 463 N SER A 31 -3.518 -7.314 -5.944 1.00 0.00 N ATOM 464 CA SER A 31 -4.424 -8.488 -6.017 1.00 0.00 C ATOM 465 C SER A 31 -3.958 -9.437 -7.126 1.00 0.00 C ATOM 466 O SER A 31 -4.193 -10.628 -7.076 1.00 0.00 O ATOM 467 CB SER A 31 -5.847 -8.015 -6.316 1.00 0.00 C ATOM 468 OG SER A 31 -6.728 -9.130 -6.285 1.00 0.00 O ATOM 0 H SER A 31 -3.985 -6.407 -5.967 1.00 0.00 H new ATOM 0 HA SER A 31 -4.406 -9.015 -5.063 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.157 -7.271 -5.582 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.885 -7.534 -7.293 1.00 0.00 H new ATOM 0 HG SER A 31 -7.642 -8.830 -6.475 1.00 0.00 H new ATOM 474 N GLU A 32 -3.302 -8.917 -8.128 1.00 0.00 N ATOM 475 CA GLU A 32 -2.825 -9.789 -9.239 1.00 0.00 C ATOM 476 C GLU A 32 -1.686 -10.679 -8.740 1.00 0.00 C ATOM 477 O GLU A 32 -1.744 -11.888 -8.840 1.00 0.00 O ATOM 478 CB GLU A 32 -2.310 -8.915 -10.385 1.00 0.00 C ATOM 479 CG GLU A 32 -3.473 -8.125 -10.989 1.00 0.00 C ATOM 480 CD GLU A 32 -2.965 -7.282 -12.160 1.00 0.00 C ATOM 481 OE1 GLU A 32 -1.810 -6.891 -12.125 1.00 0.00 O ATOM 482 OE2 GLU A 32 -3.739 -7.042 -13.072 1.00 0.00 O ATOM 0 H GLU A 32 -3.076 -7.927 -8.225 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.649 -10.411 -9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.544 -8.232 -10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.844 -9.537 -11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.252 -8.807 -11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.921 -7.482 -10.232 1.00 0.00 H new ATOM 489 N ASN A 33 -0.652 -10.087 -8.206 1.00 0.00 N ATOM 490 CA ASN A 33 0.502 -10.888 -7.700 1.00 0.00 C ATOM 491 C ASN A 33 1.623 -9.921 -7.277 1.00 0.00 C ATOM 492 O ASN A 33 1.672 -8.800 -7.743 1.00 0.00 O ATOM 493 CB ASN A 33 1.014 -11.823 -8.820 1.00 0.00 C ATOM 494 CG ASN A 33 0.841 -11.142 -10.180 1.00 0.00 C ATOM 495 OD1 ASN A 33 0.679 -11.803 -11.187 1.00 0.00 O ATOM 496 ND2 ASN A 33 0.868 -9.840 -10.253 1.00 0.00 N ATOM 0 H ASN A 33 -0.556 -9.077 -8.098 1.00 0.00 H new ATOM 0 HA ASN A 33 0.193 -11.493 -6.848 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.064 -12.064 -8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.464 -12.764 -8.801 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.753 -9.377 -11.155 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.004 -9.285 -9.408 1.00 0.00 H new ATOM 503 N PRO A 34 2.526 -10.342 -6.414 1.00 0.00 N ATOM 504 CA PRO A 34 3.660 -9.477 -5.963 1.00 0.00 C ATOM 505 C PRO A 34 4.346 -8.746 -7.129 1.00 0.00 C ATOM 506 O PRO A 34 5.169 -7.876 -6.927 1.00 0.00 O ATOM 507 CB PRO A 34 4.627 -10.472 -5.305 1.00 0.00 C ATOM 508 CG PRO A 34 3.746 -11.557 -4.775 1.00 0.00 C ATOM 509 CD PRO A 34 2.573 -11.672 -5.761 1.00 0.00 C ATOM 0 HA PRO A 34 3.324 -8.683 -5.296 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.346 -10.861 -6.025 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.199 -10.000 -4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.289 -12.500 -4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.391 -11.316 -3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.738 -12.468 -6.487 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.639 -11.898 -5.247 1.00 0.00 H new ATOM 517 N MET A 35 4.014 -9.092 -8.344 1.00 0.00 N ATOM 518 CA MET A 35 4.647 -8.418 -9.510 1.00 0.00 C ATOM 519 C MET A 35 4.277 -6.939 -9.481 1.00 0.00 C ATOM 520 O MET A 35 4.784 -6.143 -10.246 1.00 0.00 O ATOM 521 CB MET A 35 4.134 -9.046 -10.809 1.00 0.00 C ATOM 522 CG MET A 35 4.413 -10.552 -10.804 1.00 0.00 C ATOM 523 SD MET A 35 6.199 -10.836 -10.886 1.00 0.00 S ATOM 524 CE MET A 35 6.168 -12.596 -10.468 1.00 0.00 C ATOM 0 H MET A 35 3.331 -9.813 -8.578 1.00 0.00 H new ATOM 0 HA MET A 35 5.730 -8.533 -9.461 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.064 -8.866 -10.913 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.620 -8.580 -11.666 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.003 -11.005 -9.902 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.919 -11.027 -11.652 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.186 -12.986 -10.461 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.722 -12.728 -9.482 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.578 -13.136 -11.209 1.00 0.00 H new ATOM 534 N ASN A 36 3.389 -6.568 -8.604 1.00 0.00 N ATOM 535 CA ASN A 36 2.973 -5.144 -8.521 1.00 0.00 C ATOM 536 C ASN A 36 4.174 -4.272 -8.161 1.00 0.00 C ATOM 537 O ASN A 36 4.539 -3.364 -8.882 1.00 0.00 O ATOM 538 CB ASN A 36 1.901 -4.979 -7.436 1.00 0.00 C ATOM 539 CG ASN A 36 2.324 -5.726 -6.168 1.00 0.00 C ATOM 540 OD1 ASN A 36 3.281 -6.474 -6.175 1.00 0.00 O ATOM 541 ND2 ASN A 36 1.646 -5.551 -5.068 1.00 0.00 N ATOM 0 H ASN A 36 2.932 -7.192 -7.939 1.00 0.00 H new ATOM 0 HA ASN A 36 2.572 -4.839 -9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.755 -3.922 -7.214 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.946 -5.364 -7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.920 -6.042 -4.217 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.842 -4.924 -5.059 1.00 0.00 H new ATOM 548 N ILE A 37 4.772 -4.530 -7.036 1.00 0.00 N ATOM 549 CA ILE A 37 5.929 -3.709 -6.599 1.00 0.00 C ATOM 550 C ILE A 37 7.087 -3.868 -7.587 1.00 0.00 C ATOM 551 O ILE A 37 7.948 -3.019 -7.686 1.00 0.00 O ATOM 552 CB ILE A 37 6.345 -4.150 -5.181 1.00 0.00 C ATOM 553 CG1 ILE A 37 7.203 -3.058 -4.517 1.00 0.00 C ATOM 554 CG2 ILE A 37 7.141 -5.465 -5.239 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.379 -1.775 -4.293 1.00 0.00 C ATOM 0 H ILE A 37 4.507 -5.279 -6.396 1.00 0.00 H new ATOM 0 HA ILE A 37 5.653 -2.655 -6.576 1.00 0.00 H new ATOM 0 HB ILE A 37 5.442 -4.308 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.586 -3.420 -3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.066 -2.836 -5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.427 -5.762 -4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.524 -6.245 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.037 -5.321 -5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.006 -1.017 -3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.017 -1.403 -5.252 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.530 -1.996 -3.646 1.00 0.00 H new ATOM 567 N MET A 38 7.114 -4.943 -8.321 1.00 0.00 N ATOM 568 CA MET A 38 8.219 -5.146 -9.300 1.00 0.00 C ATOM 569 C MET A 38 8.115 -4.108 -10.425 1.00 0.00 C ATOM 570 O MET A 38 8.667 -4.287 -11.493 1.00 0.00 O ATOM 571 CB MET A 38 8.121 -6.556 -9.888 1.00 0.00 C ATOM 572 CG MET A 38 8.414 -7.591 -8.798 1.00 0.00 C ATOM 573 SD MET A 38 8.502 -9.242 -9.540 1.00 0.00 S ATOM 574 CE MET A 38 10.265 -9.229 -9.954 1.00 0.00 C ATOM 0 H MET A 38 6.420 -5.690 -8.287 1.00 0.00 H new ATOM 0 HA MET A 38 9.177 -5.027 -8.795 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.126 -6.720 -10.301 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.829 -6.668 -10.709 1.00 0.00 H new ATOM 0 HG2 MET A 38 9.354 -7.354 -8.300 1.00 0.00 H new ATOM 0 HG3 MET A 38 7.634 -7.564 -8.037 1.00 0.00 H new ATOM 0 HE1 MET A 38 10.534 -10.172 -10.430 1.00 0.00 H new ATOM 0 HE2 MET A 38 10.472 -8.406 -10.637 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.851 -9.102 -9.044 1.00 0.00 H new ATOM 584 N LYS A 39 7.418 -3.022 -10.192 1.00 0.00 N ATOM 585 CA LYS A 39 7.279 -1.963 -11.240 1.00 0.00 C ATOM 586 C LYS A 39 7.232 -0.589 -10.563 1.00 0.00 C ATOM 587 O LYS A 39 7.790 0.374 -11.051 1.00 0.00 O ATOM 588 CB LYS A 39 5.977 -2.181 -12.029 1.00 0.00 C ATOM 589 CG LYS A 39 5.791 -3.670 -12.329 1.00 0.00 C ATOM 590 CD LYS A 39 4.574 -3.861 -13.247 1.00 0.00 C ATOM 591 CE LYS A 39 4.182 -5.341 -13.291 1.00 0.00 C ATOM 592 NZ LYS A 39 3.200 -5.561 -14.390 1.00 0.00 N ATOM 0 H LYS A 39 6.937 -2.823 -9.315 1.00 0.00 H new ATOM 0 HA LYS A 39 8.128 -2.014 -11.921 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.128 -1.808 -11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.007 -1.615 -12.960 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.686 -4.070 -12.806 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.650 -4.224 -11.401 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.737 -3.265 -12.884 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.806 -3.507 -14.252 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.066 -5.958 -13.450 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.750 -5.643 -12.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.933 -6.566 -14.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.353 -4.983 -14.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.628 -5.288 -15.298 1.00 0.00 H new ATOM 606 N TYR A 40 6.557 -0.491 -9.447 1.00 0.00 N ATOM 607 CA TYR A 40 6.455 0.814 -8.741 1.00 0.00 C ATOM 608 C TYR A 40 7.728 1.079 -7.935 1.00 0.00 C ATOM 609 O TYR A 40 7.838 2.077 -7.250 1.00 0.00 O ATOM 610 CB TYR A 40 5.248 0.777 -7.805 1.00 0.00 C ATOM 611 CG TYR A 40 4.024 0.353 -8.583 1.00 0.00 C ATOM 612 CD1 TYR A 40 3.525 1.193 -9.583 1.00 0.00 C ATOM 613 CD2 TYR A 40 3.388 -0.867 -8.312 1.00 0.00 C ATOM 614 CE1 TYR A 40 2.395 0.820 -10.315 1.00 0.00 C ATOM 615 CE2 TYR A 40 2.255 -1.240 -9.045 1.00 0.00 C ATOM 616 CZ TYR A 40 1.759 -0.397 -10.047 1.00 0.00 C ATOM 617 OH TYR A 40 0.642 -0.764 -10.769 1.00 0.00 O ATOM 0 H TYR A 40 6.071 -1.265 -8.995 1.00 0.00 H new ATOM 0 HA TYR A 40 6.333 1.614 -9.471 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.430 0.082 -6.985 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.088 1.759 -7.361 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.015 2.133 -9.790 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.771 -1.517 -7.540 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.013 1.471 -11.087 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.763 -2.179 -8.837 1.00 0.00 H new ATOM 0 HH TYR A 40 0.693 -0.379 -11.669 1.00 0.00 H new ATOM 627 N GLN A 41 8.698 0.206 -8.014 1.00 0.00 N ATOM 628 CA GLN A 41 9.964 0.434 -7.254 1.00 0.00 C ATOM 629 C GLN A 41 10.510 1.817 -7.623 1.00 0.00 C ATOM 630 O GLN A 41 11.215 2.445 -6.859 1.00 0.00 O ATOM 631 CB GLN A 41 10.990 -0.657 -7.625 1.00 0.00 C ATOM 632 CG GLN A 41 10.875 -1.849 -6.664 1.00 0.00 C ATOM 633 CD GLN A 41 11.436 -1.465 -5.292 1.00 0.00 C ATOM 634 OE1 GLN A 41 10.820 -1.724 -4.276 1.00 0.00 O ATOM 635 NE2 GLN A 41 12.586 -0.854 -5.218 1.00 0.00 N ATOM 0 H GLN A 41 8.670 -0.650 -8.568 1.00 0.00 H new ATOM 0 HA GLN A 41 9.775 0.387 -6.181 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.822 -0.990 -8.649 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.999 -0.245 -7.585 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.832 -2.152 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.420 -2.704 -7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.104 -0.636 -6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.968 -0.594 -4.309 1.00 0.00 H new ATOM 644 N ASN A 42 10.173 2.297 -8.790 1.00 0.00 N ATOM 645 CA ASN A 42 10.650 3.642 -9.219 1.00 0.00 C ATOM 646 C ASN A 42 9.729 4.702 -8.619 1.00 0.00 C ATOM 647 O ASN A 42 10.142 5.807 -8.327 1.00 0.00 O ATOM 648 CB ASN A 42 10.610 3.736 -10.746 1.00 0.00 C ATOM 649 CG ASN A 42 11.164 5.091 -11.189 1.00 0.00 C ATOM 650 OD1 ASN A 42 10.512 6.105 -11.042 1.00 0.00 O ATOM 651 ND2 ASN A 42 12.351 5.151 -11.729 1.00 0.00 N ATOM 0 H ASN A 42 9.585 1.812 -9.468 1.00 0.00 H new ATOM 0 HA ASN A 42 11.673 3.800 -8.877 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.197 2.930 -11.186 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.587 3.616 -11.102 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.731 6.049 -12.027 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.899 4.299 -11.853 1.00 0.00 H new ATOM 658 N ASP A 43 8.479 4.370 -8.427 1.00 0.00 N ATOM 659 CA ASP A 43 7.530 5.354 -7.840 1.00 0.00 C ATOM 660 C ASP A 43 7.871 5.556 -6.360 1.00 0.00 C ATOM 661 O ASP A 43 7.388 4.849 -5.497 1.00 0.00 O ATOM 662 CB ASP A 43 6.104 4.815 -7.980 1.00 0.00 C ATOM 663 CG ASP A 43 5.101 5.899 -7.578 1.00 0.00 C ATOM 664 OD1 ASP A 43 5.506 6.839 -6.914 1.00 0.00 O ATOM 665 OD2 ASP A 43 3.944 5.769 -7.941 1.00 0.00 O ATOM 0 H ASP A 43 8.077 3.460 -8.652 1.00 0.00 H new ATOM 0 HA ASP A 43 7.607 6.309 -8.360 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.923 4.502 -9.008 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.974 3.935 -7.351 1.00 0.00 H new ATOM 670 N LYS A 44 8.718 6.509 -6.065 1.00 0.00 N ATOM 671 CA LYS A 44 9.124 6.756 -4.655 1.00 0.00 C ATOM 672 C LYS A 44 7.896 6.855 -3.746 1.00 0.00 C ATOM 673 O LYS A 44 7.971 6.608 -2.558 1.00 0.00 O ATOM 674 CB LYS A 44 9.915 8.065 -4.578 1.00 0.00 C ATOM 675 CG LYS A 44 10.400 8.293 -3.140 1.00 0.00 C ATOM 676 CD LYS A 44 11.427 9.434 -3.108 1.00 0.00 C ATOM 677 CE LYS A 44 10.808 10.725 -3.668 1.00 0.00 C ATOM 678 NZ LYS A 44 10.876 10.703 -5.157 1.00 0.00 N ATOM 0 H LYS A 44 9.148 7.131 -6.750 1.00 0.00 H new ATOM 0 HA LYS A 44 9.741 5.923 -4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.767 8.027 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.289 8.898 -4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.554 8.535 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.847 7.379 -2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.766 9.599 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.304 9.159 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.772 10.815 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.341 11.594 -3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.285 11.596 -5.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.472 9.909 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.918 10.589 -5.547 1.00 0.00 H new ATOM 692 N GLU A 45 6.767 7.210 -4.286 1.00 0.00 N ATOM 693 CA GLU A 45 5.548 7.314 -3.437 1.00 0.00 C ATOM 694 C GLU A 45 5.112 5.908 -3.014 1.00 0.00 C ATOM 695 O GLU A 45 4.898 5.634 -1.850 1.00 0.00 O ATOM 696 CB GLU A 45 4.425 7.987 -4.240 1.00 0.00 C ATOM 697 CG GLU A 45 3.247 8.328 -3.316 1.00 0.00 C ATOM 698 CD GLU A 45 3.640 9.470 -2.375 1.00 0.00 C ATOM 699 OE1 GLU A 45 3.513 10.614 -2.778 1.00 0.00 O ATOM 700 OE2 GLU A 45 4.060 9.180 -1.267 1.00 0.00 O ATOM 0 H GLU A 45 6.634 7.432 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 45 5.762 7.911 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.800 8.894 -4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.091 7.325 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.379 8.616 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.961 7.450 -2.737 1.00 0.00 H new ATOM 707 N VAL A 46 4.973 5.018 -3.953 1.00 0.00 N ATOM 708 CA VAL A 46 4.538 3.636 -3.617 1.00 0.00 C ATOM 709 C VAL A 46 5.615 2.905 -2.819 1.00 0.00 C ATOM 710 O VAL A 46 5.309 2.074 -2.008 1.00 0.00 O ATOM 711 CB VAL A 46 4.281 2.861 -4.907 1.00 0.00 C ATOM 712 CG1 VAL A 46 3.789 1.444 -4.583 1.00 0.00 C ATOM 713 CG2 VAL A 46 3.225 3.588 -5.747 1.00 0.00 C ATOM 0 H VAL A 46 5.143 5.189 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 46 3.630 3.699 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 46 5.212 2.796 -5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.609 0.900 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.545 0.921 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.863 1.502 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.045 3.031 -6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.297 3.662 -5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.581 4.589 -5.993 1.00 0.00 H new ATOM 723 N MET A 47 6.871 3.172 -3.052 1.00 0.00 N ATOM 724 CA MET A 47 7.925 2.426 -2.294 1.00 0.00 C ATOM 725 C MET A 47 7.863 2.806 -0.814 1.00 0.00 C ATOM 726 O MET A 47 7.983 1.965 0.050 1.00 0.00 O ATOM 727 CB MET A 47 9.325 2.700 -2.906 1.00 0.00 C ATOM 728 CG MET A 47 9.998 3.939 -2.286 1.00 0.00 C ATOM 729 SD MET A 47 10.754 3.501 -0.699 1.00 0.00 S ATOM 730 CE MET A 47 11.624 5.063 -0.424 1.00 0.00 C ATOM 0 H MET A 47 7.213 3.861 -3.722 1.00 0.00 H new ATOM 0 HA MET A 47 7.742 1.354 -2.372 1.00 0.00 H new ATOM 0 HB2 MET A 47 9.962 1.829 -2.755 1.00 0.00 H new ATOM 0 HB3 MET A 47 9.228 2.842 -3.982 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.756 4.329 -2.965 1.00 0.00 H new ATOM 0 HG3 MET A 47 9.262 4.730 -2.142 1.00 0.00 H new ATOM 0 HE1 MET A 47 12.169 5.015 0.519 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.325 5.237 -1.240 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.903 5.879 -0.385 1.00 0.00 H new ATOM 740 N ASP A 48 7.662 4.055 -0.511 1.00 0.00 N ATOM 741 CA ASP A 48 7.582 4.461 0.919 1.00 0.00 C ATOM 742 C ASP A 48 6.340 3.830 1.540 1.00 0.00 C ATOM 743 O ASP A 48 6.308 3.479 2.704 1.00 0.00 O ATOM 744 CB ASP A 48 7.461 5.992 1.001 1.00 0.00 C ATOM 745 CG ASP A 48 7.913 6.482 2.380 1.00 0.00 C ATOM 746 OD1 ASP A 48 7.900 5.685 3.304 1.00 0.00 O ATOM 747 OD2 ASP A 48 8.264 7.646 2.488 1.00 0.00 O ATOM 0 H ASP A 48 7.550 4.810 -1.187 1.00 0.00 H new ATOM 0 HA ASP A 48 8.475 4.132 1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.070 6.455 0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.429 6.293 0.819 1.00 0.00 H new ATOM 752 N VAL A 49 5.309 3.710 0.760 1.00 0.00 N ATOM 753 CA VAL A 49 4.039 3.142 1.267 1.00 0.00 C ATOM 754 C VAL A 49 4.139 1.621 1.356 1.00 0.00 C ATOM 755 O VAL A 49 3.910 1.036 2.389 1.00 0.00 O ATOM 756 CB VAL A 49 2.936 3.547 0.290 1.00 0.00 C ATOM 757 CG1 VAL A 49 1.603 2.936 0.724 1.00 0.00 C ATOM 758 CG2 VAL A 49 2.827 5.083 0.261 1.00 0.00 C ATOM 0 H VAL A 49 5.293 3.986 -0.222 1.00 0.00 H new ATOM 0 HA VAL A 49 3.821 3.518 2.267 1.00 0.00 H new ATOM 0 HB VAL A 49 3.179 3.180 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.822 3.230 0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.688 1.849 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.347 3.293 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.042 5.379 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.585 5.450 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.777 5.509 -0.062 1.00 0.00 H new ATOM 768 N PHE A 50 4.480 0.980 0.282 1.00 0.00 N ATOM 769 CA PHE A 50 4.593 -0.500 0.299 1.00 0.00 C ATOM 770 C PHE A 50 5.704 -0.903 1.272 1.00 0.00 C ATOM 771 O PHE A 50 5.680 -1.974 1.848 1.00 0.00 O ATOM 772 CB PHE A 50 4.885 -1.007 -1.132 1.00 0.00 C ATOM 773 CG PHE A 50 3.609 -1.569 -1.726 1.00 0.00 C ATOM 774 CD1 PHE A 50 2.494 -0.734 -1.860 1.00 0.00 C ATOM 775 CD2 PHE A 50 3.531 -2.911 -2.123 1.00 0.00 C ATOM 776 CE1 PHE A 50 1.303 -1.235 -2.390 1.00 0.00 C ATOM 777 CE2 PHE A 50 2.338 -3.411 -2.656 1.00 0.00 C ATOM 778 CZ PHE A 50 1.224 -2.574 -2.789 1.00 0.00 C ATOM 0 H PHE A 50 4.687 1.419 -0.615 1.00 0.00 H new ATOM 0 HA PHE A 50 3.660 -0.952 0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.261 -0.192 -1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.659 -1.774 -1.109 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.555 0.300 -1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.390 -3.557 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.443 -0.589 -2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.277 -4.444 -2.965 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.303 -2.962 -3.200 1.00 0.00 H new ATOM 788 N ASN A 51 6.662 -0.043 1.482 1.00 0.00 N ATOM 789 CA ASN A 51 7.756 -0.369 2.439 1.00 0.00 C ATOM 790 C ASN A 51 7.236 -0.137 3.853 1.00 0.00 C ATOM 791 O ASN A 51 7.688 -0.746 4.801 1.00 0.00 O ATOM 792 CB ASN A 51 8.966 0.533 2.182 1.00 0.00 C ATOM 793 CG ASN A 51 10.075 0.198 3.182 1.00 0.00 C ATOM 794 OD1 ASN A 51 10.213 0.853 4.197 1.00 0.00 O ATOM 795 ND2 ASN A 51 10.878 -0.801 2.937 1.00 0.00 N ATOM 0 H ASN A 51 6.734 0.870 1.033 1.00 0.00 H new ATOM 0 HA ASN A 51 8.064 -1.407 2.312 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.327 0.394 1.163 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.679 1.580 2.278 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.621 -1.032 3.597 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.763 -1.351 2.086 1.00 0.00 H new ATOM 802 N LYS A 52 6.272 0.733 4.000 1.00 0.00 N ATOM 803 CA LYS A 52 5.706 0.993 5.352 1.00 0.00 C ATOM 804 C LYS A 52 4.722 -0.126 5.668 1.00 0.00 C ATOM 805 O LYS A 52 4.741 -0.730 6.721 1.00 0.00 O ATOM 806 CB LYS A 52 4.978 2.344 5.351 1.00 0.00 C ATOM 807 CG LYS A 52 4.233 2.536 6.683 1.00 0.00 C ATOM 808 CD LYS A 52 3.760 3.999 6.832 1.00 0.00 C ATOM 809 CE LYS A 52 4.904 4.896 7.334 1.00 0.00 C ATOM 810 NZ LYS A 52 4.349 6.221 7.732 1.00 0.00 N ATOM 0 H LYS A 52 5.854 1.273 3.242 1.00 0.00 H new ATOM 0 HA LYS A 52 6.497 1.024 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.694 3.153 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.274 2.387 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.376 1.864 6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.888 2.273 7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.397 4.368 5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.923 4.046 7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.404 4.428 8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.653 5.022 6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.128 6.860 7.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.818 6.628 6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.713 6.101 8.546 1.00 0.00 H new ATOM 824 N ILE A 53 3.867 -0.396 4.734 1.00 0.00 N ATOM 825 CA ILE A 53 2.851 -1.464 4.893 1.00 0.00 C ATOM 826 C ILE A 53 3.541 -2.756 5.348 1.00 0.00 C ATOM 827 O ILE A 53 3.068 -3.449 6.224 1.00 0.00 O ATOM 828 CB ILE A 53 2.166 -1.650 3.509 1.00 0.00 C ATOM 829 CG1 ILE A 53 0.788 -0.974 3.502 1.00 0.00 C ATOM 830 CG2 ILE A 53 1.999 -3.132 3.135 1.00 0.00 C ATOM 831 CD1 ILE A 53 0.914 0.516 3.843 1.00 0.00 C ATOM 0 H ILE A 53 3.828 0.093 3.840 1.00 0.00 H new ATOM 0 HA ILE A 53 2.105 -1.205 5.645 1.00 0.00 H new ATOM 0 HB ILE A 53 2.818 -1.185 2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.325 -1.090 2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.134 -1.463 4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.516 -3.209 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.978 -3.609 3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.384 -3.630 3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.074 0.976 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.355 0.627 4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.550 1.005 3.106 1.00 0.00 H new ATOM 843 N SER A 54 4.641 -3.092 4.739 1.00 0.00 N ATOM 844 CA SER A 54 5.345 -4.354 5.110 1.00 0.00 C ATOM 845 C SER A 54 6.172 -4.164 6.385 1.00 0.00 C ATOM 846 O SER A 54 6.297 -5.068 7.187 1.00 0.00 O ATOM 847 CB SER A 54 6.265 -4.769 3.960 1.00 0.00 C ATOM 848 OG SER A 54 7.138 -5.799 4.405 1.00 0.00 O ATOM 0 H SER A 54 5.086 -2.549 3.999 1.00 0.00 H new ATOM 0 HA SER A 54 4.602 -5.130 5.296 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.673 -5.118 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.842 -3.912 3.613 1.00 0.00 H new ATOM 0 HG SER A 54 7.728 -6.068 3.670 1.00 0.00 H new ATOM 854 N GLN A 55 6.741 -3.007 6.585 1.00 0.00 N ATOM 855 CA GLN A 55 7.558 -2.791 7.816 1.00 0.00 C ATOM 856 C GLN A 55 6.633 -2.777 9.034 1.00 0.00 C ATOM 857 O GLN A 55 6.993 -3.228 10.104 1.00 0.00 O ATOM 858 CB GLN A 55 8.307 -1.451 7.709 1.00 0.00 C ATOM 859 CG GLN A 55 9.545 -1.610 6.812 1.00 0.00 C ATOM 860 CD GLN A 55 10.626 -2.398 7.556 1.00 0.00 C ATOM 861 OE1 GLN A 55 11.086 -1.983 8.601 1.00 0.00 O ATOM 862 NE2 GLN A 55 11.054 -3.526 7.058 1.00 0.00 N ATOM 0 H GLN A 55 6.678 -2.207 5.956 1.00 0.00 H new ATOM 0 HA GLN A 55 8.286 -3.595 7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.646 -0.688 7.299 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.607 -1.113 8.701 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.274 -2.126 5.891 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.927 -0.630 6.527 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.668 -3.875 6.181 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.774 -4.058 7.546 1.00 0.00 H new ATOM 871 N LEU A 56 5.440 -2.266 8.878 1.00 0.00 N ATOM 872 CA LEU A 56 4.478 -2.219 10.022 1.00 0.00 C ATOM 873 C LEU A 56 3.607 -3.482 10.002 1.00 0.00 C ATOM 874 O LEU A 56 3.126 -3.922 11.028 1.00 0.00 O ATOM 875 CB LEU A 56 3.594 -0.967 9.880 1.00 0.00 C ATOM 876 CG LEU A 56 4.331 0.271 10.419 1.00 0.00 C ATOM 877 CD1 LEU A 56 5.704 0.411 9.744 1.00 0.00 C ATOM 878 CD2 LEU A 56 3.491 1.521 10.136 1.00 0.00 C ATOM 0 H LEU A 56 5.088 -1.877 8.003 1.00 0.00 H new ATOM 0 HA LEU A 56 5.019 -2.174 10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.332 -0.815 8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.661 -1.109 10.425 1.00 0.00 H new ATOM 0 HG LEU A 56 4.478 0.158 11.493 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.214 1.291 10.135 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.303 -0.476 9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.571 0.517 8.667 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.009 2.401 10.516 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.342 1.624 9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.523 1.428 10.629 1.00 0.00 H new ATOM 890 N PHE A 57 3.407 -4.069 8.841 1.00 0.00 N ATOM 891 CA PHE A 57 2.568 -5.313 8.737 1.00 0.00 C ATOM 892 C PHE A 57 3.387 -6.437 8.076 1.00 0.00 C ATOM 893 O PHE A 57 2.970 -7.013 7.091 1.00 0.00 O ATOM 894 CB PHE A 57 1.312 -5.021 7.886 1.00 0.00 C ATOM 895 CG PHE A 57 0.818 -3.609 8.149 1.00 0.00 C ATOM 896 CD1 PHE A 57 0.648 -3.163 9.465 1.00 0.00 C ATOM 897 CD2 PHE A 57 0.520 -2.748 7.079 1.00 0.00 C ATOM 898 CE1 PHE A 57 0.185 -1.865 9.713 1.00 0.00 C ATOM 899 CE2 PHE A 57 0.057 -1.451 7.331 1.00 0.00 C ATOM 900 CZ PHE A 57 -0.110 -1.010 8.647 1.00 0.00 C ATOM 0 H PHE A 57 3.791 -3.738 7.956 1.00 0.00 H new ATOM 0 HA PHE A 57 2.265 -5.627 9.736 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.544 -5.142 6.828 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.527 -5.739 8.124 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.874 -3.821 10.291 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.648 -3.087 6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.056 -1.524 10.729 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.171 -0.790 6.508 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.467 -0.009 8.840 1.00 0.00 H new ATOM 910 N PRO A 58 4.540 -6.755 8.614 1.00 0.00 N ATOM 911 CA PRO A 58 5.412 -7.836 8.056 1.00 0.00 C ATOM 912 C PRO A 58 4.761 -9.220 8.193 1.00 0.00 C ATOM 913 O PRO A 58 5.389 -10.237 7.975 1.00 0.00 O ATOM 914 CB PRO A 58 6.696 -7.742 8.902 1.00 0.00 C ATOM 915 CG PRO A 58 6.254 -7.117 10.188 1.00 0.00 C ATOM 916 CD PRO A 58 5.148 -6.132 9.803 1.00 0.00 C ATOM 0 HA PRO A 58 5.595 -7.711 6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.134 -8.726 9.069 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.454 -7.136 8.406 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.884 -7.870 10.884 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.081 -6.606 10.681 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.423 -6.007 10.607 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.549 -5.144 9.579 1.00 0.00 H new ATOM 924 N GLY A 59 3.507 -9.263 8.551 1.00 0.00 N ATOM 925 CA GLY A 59 2.819 -10.577 8.701 1.00 0.00 C ATOM 926 C GLY A 59 1.357 -10.347 9.090 1.00 0.00 C ATOM 927 O GLY A 59 0.457 -10.950 8.541 1.00 0.00 O ATOM 0 H GLY A 59 2.929 -8.446 8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.874 -11.137 7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.319 -11.176 9.462 1.00 0.00 H new ATOM 931 N MET A 60 1.114 -9.479 10.034 1.00 0.00 N ATOM 932 CA MET A 60 -0.289 -9.211 10.456 1.00 0.00 C ATOM 933 C MET A 60 -1.041 -8.529 9.311 1.00 0.00 C ATOM 934 O MET A 60 -0.973 -7.329 9.139 1.00 0.00 O ATOM 935 CB MET A 60 -0.290 -8.294 11.686 1.00 0.00 C ATOM 936 CG MET A 60 0.304 -9.031 12.891 1.00 0.00 C ATOM 937 SD MET A 60 2.087 -9.241 12.657 1.00 0.00 S ATOM 938 CE MET A 60 2.311 -10.603 13.827 1.00 0.00 C ATOM 0 H MET A 60 1.827 -8.944 10.531 1.00 0.00 H new ATOM 0 HA MET A 60 -0.779 -10.152 10.706 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.289 -7.394 11.479 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.308 -7.974 11.910 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.111 -8.469 13.805 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.175 -10.003 13.007 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.360 -10.899 13.844 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.009 -10.280 14.823 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.700 -11.451 13.519 1.00 0.00 H new ATOM 948 N THR A 61 -1.760 -9.287 8.525 1.00 0.00 N ATOM 949 CA THR A 61 -2.517 -8.684 7.390 1.00 0.00 C ATOM 950 C THR A 61 -3.555 -9.687 6.881 1.00 0.00 C ATOM 951 O THR A 61 -4.741 -9.528 7.092 1.00 0.00 O ATOM 952 CB THR A 61 -1.546 -8.335 6.258 1.00 0.00 C ATOM 953 OG1 THR A 61 -0.506 -7.511 6.766 1.00 0.00 O ATOM 954 CG2 THR A 61 -2.293 -7.592 5.149 1.00 0.00 C ATOM 0 H THR A 61 -1.855 -10.298 8.621 1.00 0.00 H new ATOM 0 HA THR A 61 -3.021 -7.779 7.728 1.00 0.00 H new ATOM 0 HB THR A 61 -1.119 -9.252 5.851 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.837 -7.005 7.537 1.00 0.00 H new ATOM 0 HG21 THR A 61 -1.599 -7.345 4.345 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.090 -8.226 4.759 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.723 -6.675 5.551 1.00 0.00 H new ATOM 962 N GLY A 62 -3.119 -10.719 6.213 1.00 0.00 N ATOM 963 CA GLY A 62 -4.083 -11.730 5.692 1.00 0.00 C ATOM 964 C GLY A 62 -4.841 -12.362 6.860 1.00 0.00 C ATOM 965 O GLY A 62 -5.796 -11.756 7.319 1.00 0.00 O ATOM 966 OXT GLY A 62 -4.455 -13.442 7.276 1.00 0.00 O ATOM 0 H GLY A 62 -2.138 -10.906 6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.783 -11.259 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.552 -12.499 5.131 1.00 0.00 H new TER 970 GLY A 62