USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 744 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 28 SER OG : rot 15:sc= 0 USER MOD Set 1.2: A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 75 GLN : amide:sc= 0 K(o=0,f=0.67) USER MOD Set 3.1: A 11 LYS NZ :NH3+ -123:sc=-0.00674 (180deg=-0.0856) USER MOD Set 3.2: A 17 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-1.4) USER MOD Set 3.3: A 35 LYS NZ :NH3+ 180:sc=-0.00422 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0279) USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 0.505 (180deg=0.504) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 19 ASN : amide:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.0613 K(o=0.061,f=-1.9!) USER MOD Single : A 31 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.84) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.225 X(o=-0.22,f=-0.15) USER MOD Single : A 38 THR OG1 : rot -176:sc= -0.638 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= -0.133 (180deg=-0.901) USER MOD Single : A 44 MET CE :methyl 157:sc= -0.228 (180deg=-1.08) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -1.86! USER MOD Single : A 48 CYS SG : rot 1:sc= -0.43 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 54 SER OG : rot 180:sc= -0.652 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.84 K(o=-1.8,f=-2.6) USER MOD Single : A 65 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.1!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 140:sc= -1.17 (180deg=-4.68!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.32 K(o=-1.3,f=-4.7!) USER MOD Single : A 90 GLN : amide:sc= -2.71! C(o=-2.7!,f=-6.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.578 17.148 -4.833 1.00 0.00 N ATOM 2 CA MET A 1 30.189 15.743 -4.809 1.00 0.00 C ATOM 3 C MET A 1 28.687 15.592 -5.027 1.00 0.00 C ATOM 4 O MET A 1 27.884 16.221 -4.339 1.00 0.00 O ATOM 5 CB MET A 1 30.590 15.103 -3.479 1.00 0.00 C ATOM 6 CG MET A 1 32.093 14.953 -3.306 1.00 0.00 C ATOM 7 SD MET A 1 32.532 13.642 -2.148 1.00 0.00 S ATOM 8 CE MET A 1 33.025 14.602 -0.720 1.00 0.00 C ATOM 0 H1 MET A 1 31.604 17.227 -4.683 1.00 0.00 H new ATOM 0 H2 MET A 1 30.330 17.561 -5.755 1.00 0.00 H new ATOM 0 H3 MET A 1 30.077 17.660 -4.079 1.00 0.00 H new ATOM 0 HA MET A 1 30.709 15.234 -5.620 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.197 15.707 -2.661 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.124 14.121 -3.403 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.547 14.744 -4.275 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.510 15.897 -2.955 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.325 13.930 0.084 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.863 15.246 -0.986 1.00 0.00 H new ATOM 0 HE3 MET A 1 32.187 15.215 -0.387 1.00 0.00 H new ATOM 18 N ALA A 2 28.315 14.753 -5.989 1.00 0.00 N ATOM 19 CA ALA A 2 26.909 14.518 -6.296 1.00 0.00 C ATOM 20 C ALA A 2 26.685 13.092 -6.786 1.00 0.00 C ATOM 21 O ALA A 2 27.339 12.638 -7.726 1.00 0.00 O ATOM 22 CB ALA A 2 26.422 15.518 -7.335 1.00 0.00 C ATOM 0 H ALA A 2 28.967 14.225 -6.569 1.00 0.00 H new ATOM 0 HA ALA A 2 26.335 14.653 -5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 2 25.371 15.331 -7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 2 26.537 16.530 -6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 2 27.008 15.409 -8.247 1.00 0.00 H new ATOM 28 N ASP A 3 25.759 12.389 -6.143 1.00 0.00 N ATOM 29 CA ASP A 3 25.449 11.013 -6.514 1.00 0.00 C ATOM 30 C ASP A 3 24.165 10.948 -7.334 1.00 0.00 C ATOM 31 O ASP A 3 23.376 11.893 -7.345 1.00 0.00 O ATOM 32 CB ASP A 3 25.315 10.144 -5.263 1.00 0.00 C ATOM 33 CG ASP A 3 26.603 10.071 -4.467 1.00 0.00 C ATOM 34 OD1 ASP A 3 27.585 9.494 -4.980 1.00 0.00 O ATOM 35 OD2 ASP A 3 26.630 10.589 -3.331 1.00 0.00 O ATOM 0 H ASP A 3 25.210 12.749 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 3 26.268 10.633 -7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 3 24.523 10.543 -4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 3 25.014 9.138 -5.554 1.00 0.00 H new ATOM 40 N GLU A 4 23.963 9.827 -8.020 1.00 0.00 N ATOM 41 CA GLU A 4 22.775 9.641 -8.844 1.00 0.00 C ATOM 42 C GLU A 4 21.509 9.689 -7.994 1.00 0.00 C ATOM 43 O GLU A 4 21.201 8.746 -7.263 1.00 0.00 O ATOM 44 CB GLU A 4 22.849 8.308 -9.592 1.00 0.00 C ATOM 45 CG GLU A 4 23.527 8.407 -10.948 1.00 0.00 C ATOM 46 CD GLU A 4 25.038 8.470 -10.842 1.00 0.00 C ATOM 47 OE1 GLU A 4 25.674 7.396 -10.793 1.00 0.00 O ATOM 48 OE2 GLU A 4 25.586 9.592 -10.808 1.00 0.00 O ATOM 0 H GLU A 4 24.606 9.035 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 4 22.737 10.455 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 4 23.387 7.586 -8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 4 21.839 7.921 -9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 4 23.245 7.547 -11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 4 23.166 9.295 -11.467 1.00 0.00 H new ATOM 55 N LYS A 5 20.778 10.794 -8.093 1.00 0.00 N ATOM 56 CA LYS A 5 19.545 10.967 -7.334 1.00 0.00 C ATOM 57 C LYS A 5 18.408 11.425 -8.242 1.00 0.00 C ATOM 58 O LYS A 5 17.983 12.581 -8.210 1.00 0.00 O ATOM 59 CB LYS A 5 19.753 11.982 -6.208 1.00 0.00 C ATOM 60 CG LYS A 5 20.553 11.437 -5.037 1.00 0.00 C ATOM 61 CD LYS A 5 19.667 10.679 -4.062 1.00 0.00 C ATOM 62 CE LYS A 5 20.474 10.104 -2.908 1.00 0.00 C ATOM 63 NZ LYS A 5 20.971 11.168 -1.994 1.00 0.00 N ATOM 0 H LYS A 5 21.018 11.584 -8.692 1.00 0.00 H new ATOM 0 HA LYS A 5 19.276 10.004 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 5 20.263 12.858 -6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.780 12.317 -5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 5 21.337 10.776 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 5 21.047 12.259 -4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.898 11.346 -3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.154 9.873 -4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.856 9.403 -2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 5 21.319 9.540 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 21.458 10.731 -1.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 21.634 11.784 -2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.169 11.734 -1.651 1.00 0.00 H new ATOM 77 N PRO A 6 17.901 10.500 -9.070 1.00 0.00 N ATOM 78 CA PRO A 6 16.804 10.785 -10.000 1.00 0.00 C ATOM 79 C PRO A 6 15.478 11.011 -9.282 1.00 0.00 C ATOM 80 O PRO A 6 14.921 10.091 -8.683 1.00 0.00 O ATOM 81 CB PRO A 6 16.736 9.525 -10.866 1.00 0.00 C ATOM 82 CG PRO A 6 17.305 8.446 -10.010 1.00 0.00 C ATOM 83 CD PRO A 6 18.358 9.103 -9.161 1.00 0.00 C ATOM 0 HA PRO A 6 16.978 11.699 -10.567 1.00 0.00 H new ATOM 0 HB2 PRO A 6 15.710 9.300 -11.157 1.00 0.00 H new ATOM 0 HB3 PRO A 6 17.309 9.645 -11.785 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.532 7.991 -9.391 1.00 0.00 H new ATOM 0 HG3 PRO A 6 17.735 7.651 -10.619 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.428 8.639 -8.177 1.00 0.00 H new ATOM 0 HD3 PRO A 6 19.345 9.032 -9.618 1.00 0.00 H new ATOM 91 N LYS A 7 14.977 12.240 -9.345 1.00 0.00 N ATOM 92 CA LYS A 7 13.715 12.586 -8.703 1.00 0.00 C ATOM 93 C LYS A 7 12.602 12.735 -9.735 1.00 0.00 C ATOM 94 O LYS A 7 11.426 12.551 -9.422 1.00 0.00 O ATOM 95 CB LYS A 7 13.864 13.885 -7.907 1.00 0.00 C ATOM 96 CG LYS A 7 14.147 15.100 -8.773 1.00 0.00 C ATOM 97 CD LYS A 7 12.862 15.788 -9.205 1.00 0.00 C ATOM 98 CE LYS A 7 13.083 17.271 -9.460 1.00 0.00 C ATOM 99 NZ LYS A 7 11.827 17.955 -9.876 1.00 0.00 N ATOM 0 H LYS A 7 15.426 13.014 -9.835 1.00 0.00 H new ATOM 0 HA LYS A 7 13.449 11.778 -8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.951 14.059 -7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 7 14.672 13.768 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.770 15.804 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.712 14.796 -9.654 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.481 15.315 -10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.102 15.659 -8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.470 17.741 -8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.839 17.398 -10.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.026 18.957 -10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.452 17.501 -10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.125 17.885 -9.112 1.00 0.00 H new ATOM 113 N GLU A 8 12.982 13.067 -10.965 1.00 0.00 N ATOM 114 CA GLU A 8 12.014 13.239 -12.042 1.00 0.00 C ATOM 115 C GLU A 8 11.524 11.888 -12.554 1.00 0.00 C ATOM 116 O GLU A 8 12.055 10.842 -12.184 1.00 0.00 O ATOM 117 CB GLU A 8 12.633 14.038 -13.191 1.00 0.00 C ATOM 118 CG GLU A 8 12.464 15.541 -13.047 1.00 0.00 C ATOM 119 CD GLU A 8 11.022 15.984 -13.204 1.00 0.00 C ATOM 120 OE1 GLU A 8 10.339 15.470 -14.114 1.00 0.00 O ATOM 121 OE2 GLU A 8 10.577 16.845 -12.416 1.00 0.00 O ATOM 0 H GLU A 8 13.952 13.222 -11.240 1.00 0.00 H new ATOM 0 HA GLU A 8 11.161 13.789 -11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.696 13.805 -13.253 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.181 13.718 -14.130 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.831 15.852 -12.069 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.078 16.045 -13.793 1.00 0.00 H new ATOM 128 N GLY A 9 10.505 11.919 -13.408 1.00 0.00 N ATOM 129 CA GLY A 9 9.959 10.692 -13.957 1.00 0.00 C ATOM 130 C GLY A 9 9.479 10.859 -15.385 1.00 0.00 C ATOM 131 O GLY A 9 9.773 11.863 -16.034 1.00 0.00 O ATOM 0 H GLY A 9 10.048 12.772 -13.729 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.719 9.912 -13.921 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.129 10.357 -13.335 1.00 0.00 H new ATOM 135 N VAL A 10 8.737 9.871 -15.878 1.00 0.00 N ATOM 136 CA VAL A 10 8.215 9.912 -17.238 1.00 0.00 C ATOM 137 C VAL A 10 6.696 9.786 -17.248 1.00 0.00 C ATOM 138 O VAL A 10 6.152 8.718 -17.529 1.00 0.00 O ATOM 139 CB VAL A 10 8.818 8.791 -18.105 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.361 8.928 -19.549 1.00 0.00 C ATOM 141 CG2 VAL A 10 10.337 8.806 -18.014 1.00 0.00 C ATOM 0 H VAL A 10 8.484 9.033 -15.355 1.00 0.00 H new ATOM 0 HA VAL A 10 8.499 10.877 -17.657 1.00 0.00 H new ATOM 0 HB VAL A 10 8.463 7.832 -17.727 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.797 8.127 -20.146 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.274 8.863 -19.594 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.684 9.892 -19.943 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.746 8.007 -18.633 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.713 9.767 -18.366 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.641 8.655 -16.978 1.00 0.00 H new ATOM 151 N LYS A 11 6.015 10.884 -16.940 1.00 0.00 N ATOM 152 CA LYS A 11 4.557 10.899 -16.914 1.00 0.00 C ATOM 153 C LYS A 11 4.015 12.188 -17.524 1.00 0.00 C ATOM 154 O LYS A 11 4.656 13.237 -17.455 1.00 0.00 O ATOM 155 CB LYS A 11 4.050 10.749 -15.478 1.00 0.00 C ATOM 156 CG LYS A 11 4.412 9.418 -14.842 1.00 0.00 C ATOM 157 CD LYS A 11 4.430 9.512 -13.325 1.00 0.00 C ATOM 158 CE LYS A 11 3.047 9.817 -12.769 1.00 0.00 C ATOM 159 NZ LYS A 11 2.112 8.673 -12.952 1.00 0.00 N ATOM 0 H LYS A 11 6.450 11.776 -16.705 1.00 0.00 H new ATOM 0 HA LYS A 11 4.200 10.058 -17.508 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.460 11.556 -14.871 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.966 10.863 -15.470 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.694 8.658 -15.152 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.390 9.097 -15.199 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.793 8.574 -12.906 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.127 10.291 -13.016 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.126 10.055 -11.708 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.643 10.700 -13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.279 8.988 -13.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.592 7.912 -13.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.811 8.318 -12.022 1.00 0.00 H new ATOM 173 N THR A 12 2.829 12.104 -18.119 1.00 0.00 N ATOM 174 CA THR A 12 2.201 13.263 -18.740 1.00 0.00 C ATOM 175 C THR A 12 0.874 13.595 -18.068 1.00 0.00 C ATOM 176 O THR A 12 0.505 14.762 -17.945 1.00 0.00 O ATOM 177 CB THR A 12 1.959 13.033 -20.243 1.00 0.00 C ATOM 178 OG1 THR A 12 1.633 11.659 -20.482 1.00 0.00 O ATOM 179 CG2 THR A 12 3.188 13.415 -21.054 1.00 0.00 C ATOM 0 H THR A 12 2.284 11.244 -18.184 1.00 0.00 H new ATOM 0 HA THR A 12 2.888 14.100 -18.614 1.00 0.00 H new ATOM 0 HB THR A 12 1.127 13.664 -20.555 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.479 11.521 -21.440 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.993 13.244 -22.113 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.417 14.468 -20.893 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.036 12.807 -20.738 1.00 0.00 H new ATOM 187 N GLU A 13 0.160 12.560 -17.634 1.00 0.00 N ATOM 188 CA GLU A 13 -1.127 12.744 -16.974 1.00 0.00 C ATOM 189 C GLU A 13 -0.959 13.483 -15.650 1.00 0.00 C ATOM 190 O GLU A 13 0.031 13.296 -14.944 1.00 0.00 O ATOM 191 CB GLU A 13 -1.800 11.391 -16.734 1.00 0.00 C ATOM 192 CG GLU A 13 -2.281 10.716 -18.008 1.00 0.00 C ATOM 193 CD GLU A 13 -2.568 9.240 -17.813 1.00 0.00 C ATOM 194 OE1 GLU A 13 -2.662 8.802 -16.648 1.00 0.00 O ATOM 195 OE2 GLU A 13 -2.698 8.522 -18.827 1.00 0.00 O ATOM 0 H GLU A 13 0.451 11.587 -17.728 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.759 13.345 -17.628 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.098 10.730 -16.226 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.648 11.530 -16.064 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.184 11.215 -18.360 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.527 10.836 -18.786 1.00 0.00 H new ATOM 202 N ASN A 14 -1.934 14.323 -15.320 1.00 0.00 N ATOM 203 CA ASN A 14 -1.895 15.092 -14.081 1.00 0.00 C ATOM 204 C ASN A 14 -2.766 14.442 -13.010 1.00 0.00 C ATOM 205 O ASN A 14 -3.985 14.600 -13.007 1.00 0.00 O ATOM 206 CB ASN A 14 -2.361 16.527 -14.331 1.00 0.00 C ATOM 207 CG ASN A 14 -1.446 17.275 -15.282 1.00 0.00 C ATOM 208 OD1 ASN A 14 -1.688 17.319 -16.488 1.00 0.00 O ATOM 209 ND2 ASN A 14 -0.387 17.866 -14.741 1.00 0.00 N ATOM 0 H ASN A 14 -2.761 14.489 -15.893 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.865 15.109 -13.726 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.371 16.512 -14.740 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.409 17.061 -13.382 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.265 18.383 -15.331 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.226 17.803 -13.736 1.00 0.00 H new ATOM 216 N ASN A 15 -2.129 13.711 -12.100 1.00 0.00 N ATOM 217 CA ASN A 15 -2.845 13.037 -11.023 1.00 0.00 C ATOM 218 C ASN A 15 -2.132 13.234 -9.689 1.00 0.00 C ATOM 219 O ASN A 15 -1.058 13.833 -9.630 1.00 0.00 O ATOM 220 CB ASN A 15 -2.978 11.543 -11.328 1.00 0.00 C ATOM 221 CG ASN A 15 -3.955 11.267 -12.454 1.00 0.00 C ATOM 222 OD1 ASN A 15 -3.659 11.518 -13.623 1.00 0.00 O ATOM 223 ND2 ASN A 15 -5.127 10.749 -12.107 1.00 0.00 N ATOM 0 H ASN A 15 -1.119 13.571 -12.087 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.840 13.476 -10.951 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.000 11.141 -11.593 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.306 11.020 -10.430 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.825 10.543 -12.822 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.329 10.557 -11.126 1.00 0.00 H new ATOM 230 N ASP A 16 -2.736 12.725 -8.621 1.00 0.00 N ATOM 231 CA ASP A 16 -2.158 12.843 -7.287 1.00 0.00 C ATOM 232 C ASP A 16 -1.198 11.691 -7.007 1.00 0.00 C ATOM 233 O ASP A 16 -1.246 10.654 -7.669 1.00 0.00 O ATOM 234 CB ASP A 16 -3.264 12.871 -6.230 1.00 0.00 C ATOM 235 CG ASP A 16 -4.509 13.589 -6.713 1.00 0.00 C ATOM 236 OD1 ASP A 16 -5.291 12.977 -7.470 1.00 0.00 O ATOM 237 OD2 ASP A 16 -4.701 14.763 -6.333 1.00 0.00 O ATOM 0 H ASP A 16 -3.625 12.227 -8.653 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.598 13.777 -7.241 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.522 11.849 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.891 13.362 -5.331 1.00 0.00 H new ATOM 242 N HIS A 17 -0.326 11.882 -6.022 1.00 0.00 N ATOM 243 CA HIS A 17 0.647 10.859 -5.655 1.00 0.00 C ATOM 244 C HIS A 17 0.985 10.940 -4.169 1.00 0.00 C ATOM 245 O HIS A 17 1.780 11.781 -3.749 1.00 0.00 O ATOM 246 CB HIS A 17 1.919 11.011 -6.489 1.00 0.00 C ATOM 247 CG HIS A 17 1.660 11.136 -7.959 1.00 0.00 C ATOM 248 ND1 HIS A 17 1.405 10.053 -8.773 1.00 0.00 N ATOM 249 CD2 HIS A 17 1.617 12.226 -8.760 1.00 0.00 C ATOM 250 CE1 HIS A 17 1.217 10.471 -10.012 1.00 0.00 C ATOM 251 NE2 HIS A 17 1.340 11.786 -10.031 1.00 0.00 N ATOM 0 H HIS A 17 -0.273 12.734 -5.464 1.00 0.00 H new ATOM 0 HA HIS A 17 0.205 9.883 -5.857 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.464 11.891 -6.148 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.564 10.150 -6.314 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.772 13.251 -8.456 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.000 9.844 -10.864 1.00 0.00 H new ATOM 0 HE2 HIS A 17 1.245 12.378 -10.856 1.00 0.00 H new ATOM 259 N ILE A 18 0.377 10.061 -3.380 1.00 0.00 N ATOM 260 CA ILE A 18 0.615 10.034 -1.942 1.00 0.00 C ATOM 261 C ILE A 18 1.623 8.951 -1.572 1.00 0.00 C ATOM 262 O ILE A 18 2.125 8.235 -2.436 1.00 0.00 O ATOM 263 CB ILE A 18 -0.690 9.794 -1.160 1.00 0.00 C ATOM 264 CG1 ILE A 18 -1.128 8.333 -1.292 1.00 0.00 C ATOM 265 CG2 ILE A 18 -1.784 10.727 -1.656 1.00 0.00 C ATOM 266 CD1 ILE A 18 -2.430 8.027 -0.586 1.00 0.00 C ATOM 0 H ILE A 18 -0.284 9.358 -3.712 1.00 0.00 H new ATOM 0 HA ILE A 18 1.018 11.010 -1.670 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.509 10.006 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.230 8.087 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.346 7.690 -0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.700 10.545 -1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.471 11.762 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.966 10.544 -2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.679 6.974 -0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.326 8.241 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.225 8.644 -1.005 1.00 0.00 H new ATOM 278 N ASN A 19 1.912 8.837 -0.279 1.00 0.00 N ATOM 279 CA ASN A 19 2.860 7.840 0.206 1.00 0.00 C ATOM 280 C ASN A 19 2.207 6.928 1.240 1.00 0.00 C ATOM 281 O ASN A 19 1.475 7.389 2.117 1.00 0.00 O ATOM 282 CB ASN A 19 4.085 8.525 0.815 1.00 0.00 C ATOM 283 CG ASN A 19 5.365 7.752 0.561 1.00 0.00 C ATOM 284 OD1 ASN A 19 6.079 8.013 -0.408 1.00 0.00 O ATOM 285 ND2 ASN A 19 5.661 6.794 1.432 1.00 0.00 N ATOM 0 H ASN A 19 1.504 9.422 0.450 1.00 0.00 H new ATOM 0 HA ASN A 19 3.176 7.232 -0.642 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.181 9.528 0.400 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.939 8.637 1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.509 6.240 1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.040 6.612 2.221 1.00 0.00 H new ATOM 292 N LEU A 20 2.477 5.632 1.132 1.00 0.00 N ATOM 293 CA LEU A 20 1.917 4.653 2.058 1.00 0.00 C ATOM 294 C LEU A 20 2.960 3.608 2.442 1.00 0.00 C ATOM 295 O LEU A 20 3.883 3.326 1.677 1.00 0.00 O ATOM 296 CB LEU A 20 0.699 3.970 1.434 1.00 0.00 C ATOM 297 CG LEU A 20 -0.415 4.898 0.948 1.00 0.00 C ATOM 298 CD1 LEU A 20 -0.779 4.585 -0.495 1.00 0.00 C ATOM 299 CD2 LEU A 20 -1.638 4.778 1.847 1.00 0.00 C ATOM 0 H LEU A 20 3.080 5.234 0.412 1.00 0.00 H new ATOM 0 HA LEU A 20 1.607 5.179 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.037 3.368 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.278 3.282 2.167 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.053 5.925 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.573 5.255 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.097 4.722 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.122 3.553 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.421 5.445 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.001 3.750 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.368 5.052 2.867 1.00 0.00 H new ATOM 311 N LYS A 21 2.805 3.034 3.630 1.00 0.00 N ATOM 312 CA LYS A 21 3.730 2.017 4.116 1.00 0.00 C ATOM 313 C LYS A 21 2.975 0.790 4.617 1.00 0.00 C ATOM 314 O LYS A 21 2.308 0.839 5.650 1.00 0.00 O ATOM 315 CB LYS A 21 4.603 2.585 5.237 1.00 0.00 C ATOM 316 CG LYS A 21 5.807 3.363 4.735 1.00 0.00 C ATOM 317 CD LYS A 21 6.841 2.445 4.105 1.00 0.00 C ATOM 318 CE LYS A 21 7.537 1.589 5.152 1.00 0.00 C ATOM 319 NZ LYS A 21 8.899 2.099 5.470 1.00 0.00 N ATOM 0 H LYS A 21 2.047 3.256 4.275 1.00 0.00 H new ATOM 0 HA LYS A 21 4.368 1.715 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.995 3.237 5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.948 1.766 5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.483 4.104 4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.260 3.909 5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.358 1.801 3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.581 3.041 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.936 1.567 6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.608 0.562 4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.340 1.488 6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.481 2.096 4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.829 3.070 5.837 1.00 0.00 H new ATOM 333 N VAL A 22 3.087 -0.310 3.879 1.00 0.00 N ATOM 334 CA VAL A 22 2.417 -1.551 4.251 1.00 0.00 C ATOM 335 C VAL A 22 3.297 -2.399 5.162 1.00 0.00 C ATOM 336 O VAL A 22 4.037 -3.265 4.696 1.00 0.00 O ATOM 337 CB VAL A 22 2.036 -2.377 3.008 1.00 0.00 C ATOM 338 CG1 VAL A 22 1.235 -3.606 3.408 1.00 0.00 C ATOM 339 CG2 VAL A 22 1.259 -1.523 2.018 1.00 0.00 C ATOM 0 H VAL A 22 3.635 -0.367 3.021 1.00 0.00 H new ATOM 0 HA VAL A 22 1.509 -1.273 4.785 1.00 0.00 H new ATOM 0 HB VAL A 22 2.952 -2.713 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.975 -4.177 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.831 -4.228 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.323 -3.296 3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.998 -2.123 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.348 -1.155 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.873 -0.678 1.706 1.00 0.00 H new ATOM 349 N ALA A 23 3.211 -2.144 6.463 1.00 0.00 N ATOM 350 CA ALA A 23 3.998 -2.886 7.440 1.00 0.00 C ATOM 351 C ALA A 23 3.096 -3.635 8.416 1.00 0.00 C ATOM 352 O ALA A 23 2.356 -3.025 9.186 1.00 0.00 O ATOM 353 CB ALA A 23 4.927 -1.946 8.193 1.00 0.00 C ATOM 0 H ALA A 23 2.604 -1.429 6.865 1.00 0.00 H new ATOM 0 HA ALA A 23 4.599 -3.620 6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.509 -2.514 8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.602 -1.460 7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.337 -1.190 8.712 1.00 0.00 H new ATOM 359 N GLY A 24 3.164 -4.963 8.378 1.00 0.00 N ATOM 360 CA GLY A 24 2.348 -5.773 9.263 1.00 0.00 C ATOM 361 C GLY A 24 2.647 -5.515 10.726 1.00 0.00 C ATOM 362 O GLY A 24 3.807 -5.371 11.112 1.00 0.00 O ATOM 0 H GLY A 24 3.770 -5.492 7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.295 -5.569 9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.514 -6.827 9.042 1.00 0.00 H new ATOM 366 N GLN A 25 1.600 -5.454 11.542 1.00 0.00 N ATOM 367 CA GLN A 25 1.757 -5.209 12.970 1.00 0.00 C ATOM 368 C GLN A 25 2.592 -6.306 13.622 1.00 0.00 C ATOM 369 O GLN A 25 3.121 -6.128 14.719 1.00 0.00 O ATOM 370 CB GLN A 25 0.389 -5.121 13.648 1.00 0.00 C ATOM 371 CG GLN A 25 0.467 -4.943 15.156 1.00 0.00 C ATOM 372 CD GLN A 25 -0.894 -4.740 15.791 1.00 0.00 C ATOM 373 OE1 GLN A 25 -1.901 -5.257 15.307 1.00 0.00 O ATOM 374 NE2 GLN A 25 -0.932 -3.985 16.883 1.00 0.00 N ATOM 0 H GLN A 25 0.633 -5.571 11.238 1.00 0.00 H new ATOM 0 HA GLN A 25 2.277 -4.259 13.095 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.166 -4.286 13.220 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.176 -6.026 13.426 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.942 -5.819 15.597 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.102 -4.087 15.385 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.073 -3.576 17.250 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.820 -3.814 17.354 1.00 0.00 H new ATOM 383 N ASP A 26 2.705 -7.441 12.940 1.00 0.00 N ATOM 384 CA ASP A 26 3.475 -8.568 13.453 1.00 0.00 C ATOM 385 C ASP A 26 4.968 -8.358 13.216 1.00 0.00 C ATOM 386 O ASP A 26 5.723 -8.091 14.149 1.00 0.00 O ATOM 387 CB ASP A 26 3.019 -9.869 12.791 1.00 0.00 C ATOM 388 CG ASP A 26 2.584 -9.665 11.353 1.00 0.00 C ATOM 389 OD1 ASP A 26 3.444 -9.766 10.453 1.00 0.00 O ATOM 390 OD2 ASP A 26 1.384 -9.402 11.127 1.00 0.00 O ATOM 0 H ASP A 26 2.273 -7.605 12.031 1.00 0.00 H new ATOM 0 HA ASP A 26 3.301 -8.636 14.527 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.833 -10.594 12.822 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.192 -10.293 13.361 1.00 0.00 H new ATOM 395 N GLY A 27 5.386 -8.482 11.960 1.00 0.00 N ATOM 396 CA GLY A 27 6.786 -8.304 11.623 1.00 0.00 C ATOM 397 C GLY A 27 7.009 -8.155 10.131 1.00 0.00 C ATOM 398 O GLY A 27 7.805 -8.884 9.540 1.00 0.00 O ATOM 0 H GLY A 27 4.780 -8.703 11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.170 -7.422 12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.356 -9.158 11.989 1.00 0.00 H new ATOM 402 N SER A 28 6.302 -7.209 9.520 1.00 0.00 N ATOM 403 CA SER A 28 6.423 -6.971 8.086 1.00 0.00 C ATOM 404 C SER A 28 6.529 -5.478 7.791 1.00 0.00 C ATOM 405 O SER A 28 5.977 -4.649 8.514 1.00 0.00 O ATOM 406 CB SER A 28 5.222 -7.564 7.346 1.00 0.00 C ATOM 407 OG SER A 28 5.361 -8.966 7.192 1.00 0.00 O ATOM 0 H SER A 28 5.640 -6.595 9.995 1.00 0.00 H new ATOM 0 HA SER A 28 7.333 -7.459 7.737 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.307 -7.344 7.896 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.126 -7.095 6.367 1.00 0.00 H new ATOM 0 HG SER A 28 6.063 -9.293 7.792 1.00 0.00 H new ATOM 413 N VAL A 29 7.244 -5.142 6.721 1.00 0.00 N ATOM 414 CA VAL A 29 7.424 -3.750 6.328 1.00 0.00 C ATOM 415 C VAL A 29 7.627 -3.626 4.822 1.00 0.00 C ATOM 416 O VAL A 29 8.610 -4.125 4.274 1.00 0.00 O ATOM 417 CB VAL A 29 8.625 -3.112 7.051 1.00 0.00 C ATOM 418 CG1 VAL A 29 8.832 -1.680 6.582 1.00 0.00 C ATOM 419 CG2 VAL A 29 8.428 -3.165 8.559 1.00 0.00 C ATOM 0 H VAL A 29 7.708 -5.816 6.111 1.00 0.00 H new ATOM 0 HA VAL A 29 6.515 -3.221 6.614 1.00 0.00 H new ATOM 0 HB VAL A 29 9.520 -3.682 6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.685 -1.246 7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.021 -1.672 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.938 -1.094 6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.286 -2.710 9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.523 -2.620 8.827 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.334 -4.203 8.877 1.00 0.00 H new ATOM 429 N VAL A 30 6.690 -2.957 4.157 1.00 0.00 N ATOM 430 CA VAL A 30 6.767 -2.766 2.714 1.00 0.00 C ATOM 431 C VAL A 30 6.459 -1.322 2.334 1.00 0.00 C ATOM 432 O VAL A 30 5.644 -0.661 2.977 1.00 0.00 O ATOM 433 CB VAL A 30 5.792 -3.699 1.971 1.00 0.00 C ATOM 434 CG1 VAL A 30 5.961 -3.559 0.466 1.00 0.00 C ATOM 435 CG2 VAL A 30 6.000 -5.142 2.408 1.00 0.00 C ATOM 0 H VAL A 30 5.869 -2.539 4.595 1.00 0.00 H new ATOM 0 HA VAL A 30 7.787 -3.008 2.417 1.00 0.00 H new ATOM 0 HB VAL A 30 4.773 -3.409 2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.264 -4.226 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.758 -2.529 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.982 -3.822 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.303 -5.788 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.022 -5.446 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.824 -5.226 3.480 1.00 0.00 H new ATOM 445 N GLN A 31 7.117 -0.839 1.285 1.00 0.00 N ATOM 446 CA GLN A 31 6.913 0.528 0.819 1.00 0.00 C ATOM 447 C GLN A 31 6.271 0.542 -0.564 1.00 0.00 C ATOM 448 O GLN A 31 6.706 -0.172 -1.469 1.00 0.00 O ATOM 449 CB GLN A 31 8.244 1.281 0.785 1.00 0.00 C ATOM 450 CG GLN A 31 9.092 1.074 2.029 1.00 0.00 C ATOM 451 CD GLN A 31 10.135 -0.011 1.850 1.00 0.00 C ATOM 452 OE1 GLN A 31 10.753 -0.126 0.791 1.00 0.00 O ATOM 453 NE2 GLN A 31 10.337 -0.816 2.887 1.00 0.00 N ATOM 0 H GLN A 31 7.795 -1.373 0.742 1.00 0.00 H new ATOM 0 HA GLN A 31 6.239 1.026 1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.811 0.960 -0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.046 2.346 0.663 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.588 2.010 2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.444 0.815 2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.803 -0.685 3.746 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.026 -1.565 2.824 1.00 0.00 H new ATOM 462 N PHE A 32 5.235 1.358 -0.723 1.00 0.00 N ATOM 463 CA PHE A 32 4.532 1.464 -1.996 1.00 0.00 C ATOM 464 C PHE A 32 3.943 2.860 -2.178 1.00 0.00 C ATOM 465 O PHE A 32 3.670 3.563 -1.204 1.00 0.00 O ATOM 466 CB PHE A 32 3.422 0.415 -2.079 1.00 0.00 C ATOM 467 CG PHE A 32 3.704 -0.679 -3.069 1.00 0.00 C ATOM 468 CD1 PHE A 32 3.338 -0.541 -4.398 1.00 0.00 C ATOM 469 CD2 PHE A 32 4.335 -1.847 -2.670 1.00 0.00 C ATOM 470 CE1 PHE A 32 3.597 -1.545 -5.311 1.00 0.00 C ATOM 471 CE2 PHE A 32 4.596 -2.855 -3.579 1.00 0.00 C ATOM 472 CZ PHE A 32 4.225 -2.704 -4.901 1.00 0.00 C ATOM 0 H PHE A 32 4.863 1.956 0.015 1.00 0.00 H new ATOM 0 HA PHE A 32 5.251 1.285 -2.795 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.276 -0.027 -1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.488 0.907 -2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.844 0.362 -4.724 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.626 -1.971 -1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.308 -1.423 -6.345 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.089 -3.760 -3.256 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.426 -3.491 -5.613 1.00 0.00 H new ATOM 482 N LYS A 33 3.749 3.255 -3.431 1.00 0.00 N ATOM 483 CA LYS A 33 3.192 4.566 -3.743 1.00 0.00 C ATOM 484 C LYS A 33 1.917 4.432 -4.570 1.00 0.00 C ATOM 485 O LYS A 33 1.751 3.470 -5.321 1.00 0.00 O ATOM 486 CB LYS A 33 4.217 5.412 -4.502 1.00 0.00 C ATOM 487 CG LYS A 33 3.905 6.898 -4.494 1.00 0.00 C ATOM 488 CD LYS A 33 4.920 7.685 -5.306 1.00 0.00 C ATOM 489 CE LYS A 33 4.917 7.260 -6.766 1.00 0.00 C ATOM 490 NZ LYS A 33 5.561 8.277 -7.642 1.00 0.00 N ATOM 0 H LYS A 33 3.969 2.686 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 33 2.946 5.061 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.202 5.254 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.268 5.066 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.907 7.063 -4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.897 7.264 -3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.697 8.750 -5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.915 7.539 -4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.440 6.309 -6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.891 7.096 -7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.539 7.949 -8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.047 9.178 -7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.548 8.415 -7.346 1.00 0.00 H new ATOM 504 N ILE A 34 1.020 5.402 -4.427 1.00 0.00 N ATOM 505 CA ILE A 34 -0.238 5.393 -5.162 1.00 0.00 C ATOM 506 C ILE A 34 -0.851 6.788 -5.220 1.00 0.00 C ATOM 507 O ILE A 34 -0.473 7.677 -4.457 1.00 0.00 O ATOM 508 CB ILE A 34 -1.254 4.425 -4.528 1.00 0.00 C ATOM 509 CG1 ILE A 34 -2.236 3.917 -5.585 1.00 0.00 C ATOM 510 CG2 ILE A 34 -1.998 5.108 -3.390 1.00 0.00 C ATOM 511 CD1 ILE A 34 -2.301 2.409 -5.676 1.00 0.00 C ATOM 0 H ILE A 34 1.142 6.204 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.010 5.056 -6.173 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.714 3.570 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.230 4.302 -5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.951 4.319 -6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.712 4.411 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.286 5.424 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.529 5.979 -3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.017 2.121 -6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.317 2.017 -5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.616 2.000 -4.716 1.00 0.00 H new ATOM 523 N LYS A 35 -1.801 6.974 -6.131 1.00 0.00 N ATOM 524 CA LYS A 35 -2.470 8.260 -6.288 1.00 0.00 C ATOM 525 C LYS A 35 -3.582 8.424 -5.257 1.00 0.00 C ATOM 526 O LYS A 35 -3.691 7.636 -4.317 1.00 0.00 O ATOM 527 CB LYS A 35 -3.046 8.389 -7.700 1.00 0.00 C ATOM 528 CG LYS A 35 -2.077 7.973 -8.793 1.00 0.00 C ATOM 529 CD LYS A 35 -2.714 8.068 -10.169 1.00 0.00 C ATOM 530 CE LYS A 35 -1.941 7.257 -11.198 1.00 0.00 C ATOM 531 NZ LYS A 35 -0.637 7.892 -11.538 1.00 0.00 N ATOM 0 H LYS A 35 -2.125 6.250 -6.772 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.733 9.047 -6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.946 7.779 -7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.347 9.423 -7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.192 8.608 -8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.744 6.951 -8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.743 7.711 -10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.754 9.111 -10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.766 6.253 -10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.540 7.151 -12.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.140 7.309 -12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.805 8.841 -11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.055 7.970 -10.680 1.00 0.00 H new ATOM 545 N ARG A 36 -4.406 9.450 -5.440 1.00 0.00 N ATOM 546 CA ARG A 36 -5.510 9.717 -4.526 1.00 0.00 C ATOM 547 C ARG A 36 -6.662 8.745 -4.766 1.00 0.00 C ATOM 548 O ARG A 36 -6.933 7.871 -3.942 1.00 0.00 O ATOM 549 CB ARG A 36 -6.001 11.156 -4.691 1.00 0.00 C ATOM 550 CG ARG A 36 -7.213 11.489 -3.836 1.00 0.00 C ATOM 551 CD ARG A 36 -7.643 12.936 -4.018 1.00 0.00 C ATOM 552 NE ARG A 36 -8.546 13.376 -2.957 1.00 0.00 N ATOM 553 CZ ARG A 36 -9.364 14.416 -3.073 1.00 0.00 C ATOM 554 NH1 ARG A 36 -9.393 15.119 -4.197 1.00 0.00 N ATOM 555 NH2 ARG A 36 -10.155 14.755 -2.063 1.00 0.00 N ATOM 0 H ARG A 36 -4.330 10.111 -6.213 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.146 9.579 -3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.190 11.839 -4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.248 11.329 -5.739 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.038 10.827 -4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.981 11.307 -2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.762 13.577 -4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.136 13.049 -4.984 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.548 12.856 -2.079 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.786 14.862 -4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.022 15.917 -4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.135 14.217 -1.197 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.783 15.554 -2.153 1.00 0.00 H new ATOM 569 N HIS A 37 -7.337 8.904 -5.900 1.00 0.00 N ATOM 570 CA HIS A 37 -8.459 8.041 -6.249 1.00 0.00 C ATOM 571 C HIS A 37 -7.985 6.827 -7.043 1.00 0.00 C ATOM 572 O HIS A 37 -8.090 6.794 -8.269 1.00 0.00 O ATOM 573 CB HIS A 37 -9.497 8.820 -7.057 1.00 0.00 C ATOM 574 CG HIS A 37 -10.629 7.973 -7.553 1.00 0.00 C ATOM 575 ND1 HIS A 37 -11.261 8.194 -8.759 1.00 0.00 N ATOM 576 CD2 HIS A 37 -11.240 6.900 -7.000 1.00 0.00 C ATOM 577 CE1 HIS A 37 -12.214 7.293 -8.925 1.00 0.00 C ATOM 578 NE2 HIS A 37 -12.221 6.496 -7.872 1.00 0.00 N ATOM 0 H HIS A 37 -7.126 9.623 -6.593 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.918 7.691 -5.324 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -9.899 9.623 -6.439 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -9.005 9.289 -7.909 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -11.001 6.446 -6.050 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -12.874 7.221 -9.777 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -12.853 5.708 -7.729 1.00 0.00 H new ATOM 586 N THR A 38 -7.462 5.830 -6.335 1.00 0.00 N ATOM 587 CA THR A 38 -6.970 4.616 -6.973 1.00 0.00 C ATOM 588 C THR A 38 -7.453 3.373 -6.236 1.00 0.00 C ATOM 589 O THR A 38 -7.401 3.290 -5.008 1.00 0.00 O ATOM 590 CB THR A 38 -5.431 4.597 -7.034 1.00 0.00 C ATOM 591 OG1 THR A 38 -4.957 5.713 -7.797 1.00 0.00 O ATOM 592 CG2 THR A 38 -4.930 3.303 -7.656 1.00 0.00 C ATOM 0 H THR A 38 -7.369 5.840 -5.319 1.00 0.00 H new ATOM 0 HA THR A 38 -7.367 4.610 -7.988 1.00 0.00 H new ATOM 0 HB THR A 38 -5.048 4.664 -6.016 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.982 5.660 -7.884 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.841 3.313 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.268 2.457 -7.057 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.322 3.210 -8.669 1.00 0.00 H new ATOM 600 N PRO A 39 -7.935 2.381 -6.999 1.00 0.00 N ATOM 601 CA PRO A 39 -8.436 1.122 -6.438 1.00 0.00 C ATOM 602 C PRO A 39 -7.320 0.263 -5.854 1.00 0.00 C ATOM 603 O PRO A 39 -6.509 -0.303 -6.589 1.00 0.00 O ATOM 604 CB PRO A 39 -9.073 0.425 -7.643 1.00 0.00 C ATOM 605 CG PRO A 39 -8.363 0.989 -8.825 1.00 0.00 C ATOM 606 CD PRO A 39 -8.028 2.411 -8.468 1.00 0.00 C ATOM 0 HA PRO A 39 -9.127 1.290 -5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.950 -0.656 -7.586 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.144 0.621 -7.694 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.460 0.419 -9.046 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.992 0.948 -9.714 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.090 2.729 -8.924 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.799 3.103 -8.808 1.00 0.00 H new ATOM 614 N LEU A 40 -7.284 0.168 -4.529 1.00 0.00 N ATOM 615 CA LEU A 40 -6.267 -0.623 -3.847 1.00 0.00 C ATOM 616 C LEU A 40 -6.192 -2.032 -4.427 1.00 0.00 C ATOM 617 O LEU A 40 -5.157 -2.693 -4.347 1.00 0.00 O ATOM 618 CB LEU A 40 -6.567 -0.692 -2.348 1.00 0.00 C ATOM 619 CG LEU A 40 -6.733 0.650 -1.635 1.00 0.00 C ATOM 620 CD1 LEU A 40 -7.479 0.468 -0.322 1.00 0.00 C ATOM 621 CD2 LEU A 40 -5.377 1.298 -1.394 1.00 0.00 C ATOM 0 H LEU A 40 -7.947 0.629 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.303 -0.137 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.479 -1.271 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.762 -1.242 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.320 1.309 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.588 1.434 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.465 0.048 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.919 -0.208 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.515 2.252 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.765 0.642 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.878 1.464 -2.349 1.00 0.00 H new ATOM 633 N SER A 41 -7.296 -2.484 -5.013 1.00 0.00 N ATOM 634 CA SER A 41 -7.357 -3.815 -5.607 1.00 0.00 C ATOM 635 C SER A 41 -6.158 -4.058 -6.519 1.00 0.00 C ATOM 636 O SER A 41 -5.511 -5.103 -6.449 1.00 0.00 O ATOM 637 CB SER A 41 -8.656 -3.986 -6.396 1.00 0.00 C ATOM 638 OG SER A 41 -8.903 -5.351 -6.683 1.00 0.00 O ATOM 0 H SER A 41 -8.161 -1.948 -5.089 1.00 0.00 H new ATOM 0 HA SER A 41 -7.332 -4.548 -4.800 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.489 -3.575 -5.825 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.597 -3.421 -7.326 1.00 0.00 H new ATOM 0 HG SER A 41 -9.740 -5.433 -7.186 1.00 0.00 H new ATOM 644 N LYS A 42 -5.867 -3.085 -7.375 1.00 0.00 N ATOM 645 CA LYS A 42 -4.746 -3.190 -8.302 1.00 0.00 C ATOM 646 C LYS A 42 -3.469 -3.583 -7.568 1.00 0.00 C ATOM 647 O LYS A 42 -2.633 -4.313 -8.102 1.00 0.00 O ATOM 648 CB LYS A 42 -4.538 -1.863 -9.035 1.00 0.00 C ATOM 649 CG LYS A 42 -4.070 -0.736 -8.131 1.00 0.00 C ATOM 650 CD LYS A 42 -2.559 -0.580 -8.171 1.00 0.00 C ATOM 651 CE LYS A 42 -2.121 0.325 -9.312 1.00 0.00 C ATOM 652 NZ LYS A 42 -1.867 -0.442 -10.563 1.00 0.00 N ATOM 0 H LYS A 42 -6.392 -2.214 -7.446 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.980 -3.967 -9.030 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.806 -2.007 -9.830 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.473 -1.570 -9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.541 0.198 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.389 -0.933 -7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.210 -0.168 -7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.094 -1.559 -8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.890 1.075 -9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.216 0.860 -9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.224 0.098 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.434 -1.358 -10.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.766 -0.603 -11.060 1.00 0.00 H new ATOM 666 N LEU A 43 -3.324 -3.097 -6.340 1.00 0.00 N ATOM 667 CA LEU A 43 -2.148 -3.400 -5.531 1.00 0.00 C ATOM 668 C LEU A 43 -2.192 -4.837 -5.022 1.00 0.00 C ATOM 669 O LEU A 43 -1.210 -5.572 -5.123 1.00 0.00 O ATOM 670 CB LEU A 43 -2.053 -2.431 -4.351 1.00 0.00 C ATOM 671 CG LEU A 43 -0.642 -2.113 -3.855 1.00 0.00 C ATOM 672 CD1 LEU A 43 0.146 -3.394 -3.630 1.00 0.00 C ATOM 673 CD2 LEU A 43 0.079 -1.207 -4.842 1.00 0.00 C ATOM 0 H LEU A 43 -4.006 -2.492 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.265 -3.284 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.536 -1.496 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.624 -2.845 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.722 -1.588 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.148 -3.148 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.361 -4.007 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.217 -3.947 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.082 -0.991 -4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.148 -1.705 -5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.475 -0.275 -4.952 1.00 0.00 H new ATOM 685 N MET A 44 -3.338 -5.231 -4.477 1.00 0.00 N ATOM 686 CA MET A 44 -3.511 -6.582 -3.955 1.00 0.00 C ATOM 687 C MET A 44 -3.118 -7.622 -4.998 1.00 0.00 C ATOM 688 O MET A 44 -2.293 -8.498 -4.737 1.00 0.00 O ATOM 689 CB MET A 44 -4.962 -6.801 -3.520 1.00 0.00 C ATOM 690 CG MET A 44 -5.120 -7.872 -2.453 1.00 0.00 C ATOM 691 SD MET A 44 -6.833 -8.396 -2.244 1.00 0.00 S ATOM 692 CE MET A 44 -7.169 -9.105 -3.854 1.00 0.00 C ATOM 0 H MET A 44 -4.160 -4.635 -4.385 1.00 0.00 H new ATOM 0 HA MET A 44 -2.858 -6.697 -3.090 1.00 0.00 H new ATOM 0 HB2 MET A 44 -5.366 -5.861 -3.143 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.556 -7.077 -4.391 1.00 0.00 H new ATOM 0 HG2 MET A 44 -4.510 -8.736 -2.717 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.742 -7.493 -1.504 1.00 0.00 H new ATOM 0 HE1 MET A 44 -7.992 -9.815 -3.774 1.00 0.00 H new ATOM 0 HE2 MET A 44 -7.439 -8.312 -4.551 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.280 -9.620 -4.217 1.00 0.00 H new ATOM 702 N LYS A 45 -3.713 -7.521 -6.182 1.00 0.00 N ATOM 703 CA LYS A 45 -3.424 -8.452 -7.266 1.00 0.00 C ATOM 704 C LYS A 45 -1.921 -8.569 -7.498 1.00 0.00 C ATOM 705 O LYS A 45 -1.367 -9.668 -7.494 1.00 0.00 O ATOM 706 CB LYS A 45 -4.115 -7.997 -8.554 1.00 0.00 C ATOM 707 CG LYS A 45 -4.147 -9.063 -9.636 1.00 0.00 C ATOM 708 CD LYS A 45 -4.729 -8.524 -10.932 1.00 0.00 C ATOM 709 CE LYS A 45 -5.262 -9.645 -11.812 1.00 0.00 C ATOM 710 NZ LYS A 45 -5.737 -9.138 -13.129 1.00 0.00 N ATOM 0 H LYS A 45 -4.399 -6.803 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.807 -9.432 -6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.137 -7.696 -8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.603 -7.115 -8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.137 -9.431 -9.815 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.740 -9.912 -9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.533 -7.823 -10.707 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.963 -7.968 -11.473 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.479 -10.387 -11.969 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.081 -10.150 -11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.092 -9.932 -13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.502 -8.449 -12.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.949 -8.678 -13.629 1.00 0.00 H new ATOM 724 N ALA A 46 -1.267 -7.429 -7.696 1.00 0.00 N ATOM 725 CA ALA A 46 0.172 -7.404 -7.925 1.00 0.00 C ATOM 726 C ALA A 46 0.926 -8.010 -6.747 1.00 0.00 C ATOM 727 O ALA A 46 1.897 -8.746 -6.930 1.00 0.00 O ATOM 728 CB ALA A 46 0.642 -5.979 -8.178 1.00 0.00 C ATOM 0 H ALA A 46 -1.711 -6.511 -7.702 1.00 0.00 H new ATOM 0 HA ALA A 46 0.385 -8.007 -8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.719 -5.976 -8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.135 -5.579 -9.056 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.409 -5.360 -7.312 1.00 0.00 H new ATOM 734 N TYR A 47 0.475 -7.697 -5.537 1.00 0.00 N ATOM 735 CA TYR A 47 1.109 -8.208 -4.328 1.00 0.00 C ATOM 736 C TYR A 47 1.291 -9.721 -4.407 1.00 0.00 C ATOM 737 O TYR A 47 2.413 -10.218 -4.513 1.00 0.00 O ATOM 738 CB TYR A 47 0.275 -7.847 -3.098 1.00 0.00 C ATOM 739 CG TYR A 47 1.106 -7.504 -1.883 1.00 0.00 C ATOM 740 CD1 TYR A 47 2.247 -8.233 -1.568 1.00 0.00 C ATOM 741 CD2 TYR A 47 0.752 -6.450 -1.050 1.00 0.00 C ATOM 742 CE1 TYR A 47 3.008 -7.923 -0.458 1.00 0.00 C ATOM 743 CE2 TYR A 47 1.509 -6.132 0.062 1.00 0.00 C ATOM 744 CZ TYR A 47 2.636 -6.872 0.354 1.00 0.00 C ATOM 745 OH TYR A 47 3.393 -6.559 1.459 1.00 0.00 O ATOM 0 H TYR A 47 -0.328 -7.091 -5.368 1.00 0.00 H new ATOM 0 HA TYR A 47 2.092 -7.746 -4.240 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.366 -7.000 -3.340 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.380 -8.684 -2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.543 -9.056 -2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.130 -5.869 -1.275 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.891 -8.501 -0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.220 -5.309 0.699 1.00 0.00 H new ATOM 0 HH TYR A 47 2.994 -5.793 1.922 1.00 0.00 H new ATOM 755 N CYS A 48 0.180 -10.448 -4.355 1.00 0.00 N ATOM 756 CA CYS A 48 0.216 -11.904 -4.420 1.00 0.00 C ATOM 757 C CYS A 48 1.040 -12.375 -5.614 1.00 0.00 C ATOM 758 O CYS A 48 1.698 -13.413 -5.554 1.00 0.00 O ATOM 759 CB CYS A 48 -1.204 -12.466 -4.513 1.00 0.00 C ATOM 760 SG CYS A 48 -1.289 -14.154 -5.154 1.00 0.00 S ATOM 0 H CYS A 48 -0.756 -10.053 -4.268 1.00 0.00 H new ATOM 0 HA CYS A 48 0.687 -12.272 -3.508 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.658 -12.442 -3.523 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.800 -11.815 -5.153 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.087 -14.588 -5.393 1.00 0.00 H new ATOM 766 N GLU A 49 0.998 -11.605 -6.697 1.00 0.00 N ATOM 767 CA GLU A 49 1.740 -11.946 -7.905 1.00 0.00 C ATOM 768 C GLU A 49 3.203 -12.236 -7.582 1.00 0.00 C ATOM 769 O GLU A 49 3.797 -13.168 -8.124 1.00 0.00 O ATOM 770 CB GLU A 49 1.647 -10.809 -8.925 1.00 0.00 C ATOM 771 CG GLU A 49 1.718 -11.279 -10.368 1.00 0.00 C ATOM 772 CD GLU A 49 1.239 -10.226 -11.349 1.00 0.00 C ATOM 773 OE1 GLU A 49 1.016 -9.075 -10.920 1.00 0.00 O ATOM 774 OE2 GLU A 49 1.087 -10.553 -12.544 1.00 0.00 O ATOM 0 H GLU A 49 0.459 -10.742 -6.762 1.00 0.00 H new ATOM 0 HA GLU A 49 1.295 -12.845 -8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.711 -10.271 -8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.455 -10.101 -8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.746 -11.552 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.114 -12.179 -10.483 1.00 0.00 H new ATOM 781 N ARG A 50 3.778 -11.430 -6.695 1.00 0.00 N ATOM 782 CA ARG A 50 5.171 -11.597 -6.300 1.00 0.00 C ATOM 783 C ARG A 50 5.273 -12.313 -4.956 1.00 0.00 C ATOM 784 O ARG A 50 6.268 -12.979 -4.672 1.00 0.00 O ATOM 785 CB ARG A 50 5.868 -10.238 -6.221 1.00 0.00 C ATOM 786 CG ARG A 50 5.188 -9.259 -5.279 1.00 0.00 C ATOM 787 CD ARG A 50 6.196 -8.341 -4.606 1.00 0.00 C ATOM 788 NE ARG A 50 7.108 -7.730 -5.569 1.00 0.00 N ATOM 789 CZ ARG A 50 8.053 -6.858 -5.235 1.00 0.00 C ATOM 790 NH1 ARG A 50 8.210 -6.497 -3.969 1.00 0.00 N ATOM 791 NH2 ARG A 50 8.844 -6.345 -6.169 1.00 0.00 N ATOM 0 H ARG A 50 3.300 -10.654 -6.236 1.00 0.00 H new ATOM 0 HA ARG A 50 5.666 -12.207 -7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.898 -10.386 -5.896 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.908 -9.801 -7.219 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.464 -8.662 -5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.632 -9.809 -4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.667 -7.559 -4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.770 -8.908 -3.873 1.00 0.00 H new ATOM 0 HE ARG A 50 7.014 -7.987 -6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.604 -6.889 -3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.937 -5.827 -3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.727 -6.620 -7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.569 -5.676 -5.912 1.00 0.00 H new ATOM 805 N GLN A 51 4.238 -12.169 -4.135 1.00 0.00 N ATOM 806 CA GLN A 51 4.213 -12.800 -2.821 1.00 0.00 C ATOM 807 C GLN A 51 2.813 -13.307 -2.488 1.00 0.00 C ATOM 808 O GLN A 51 2.124 -12.744 -1.638 1.00 0.00 O ATOM 809 CB GLN A 51 4.679 -11.814 -1.749 1.00 0.00 C ATOM 810 CG GLN A 51 6.187 -11.622 -1.713 1.00 0.00 C ATOM 811 CD GLN A 51 6.663 -10.975 -0.428 1.00 0.00 C ATOM 812 OE1 GLN A 51 5.872 -10.404 0.323 1.00 0.00 O ATOM 813 NE2 GLN A 51 7.962 -11.061 -0.167 1.00 0.00 N ATOM 0 H GLN A 51 3.406 -11.621 -4.356 1.00 0.00 H new ATOM 0 HA GLN A 51 4.893 -13.651 -2.841 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.202 -10.849 -1.923 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.342 -12.165 -0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.675 -12.589 -1.831 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.491 -11.006 -2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.582 -11.544 -0.817 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.340 -10.644 0.684 1.00 0.00 H new ATOM 822 N GLY A 52 2.399 -14.374 -3.163 1.00 0.00 N ATOM 823 CA GLY A 52 1.084 -14.939 -2.925 1.00 0.00 C ATOM 824 C GLY A 52 1.020 -15.738 -1.639 1.00 0.00 C ATOM 825 O GLY A 52 0.846 -16.958 -1.665 1.00 0.00 O ATOM 0 H GLY A 52 2.951 -14.858 -3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.348 -14.136 -2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.811 -15.582 -3.762 1.00 0.00 H new ATOM 829 N LEU A 53 1.164 -15.053 -0.510 1.00 0.00 N ATOM 830 CA LEU A 53 1.123 -15.707 0.793 1.00 0.00 C ATOM 831 C LEU A 53 -0.270 -15.614 1.406 1.00 0.00 C ATOM 832 O LEU A 53 -0.653 -16.445 2.230 1.00 0.00 O ATOM 833 CB LEU A 53 2.150 -15.075 1.735 1.00 0.00 C ATOM 834 CG LEU A 53 3.546 -14.850 1.153 1.00 0.00 C ATOM 835 CD1 LEU A 53 4.407 -14.055 2.122 1.00 0.00 C ATOM 836 CD2 LEU A 53 4.205 -16.180 0.819 1.00 0.00 C ATOM 0 H LEU A 53 1.310 -14.044 -0.471 1.00 0.00 H new ATOM 0 HA LEU A 53 1.368 -16.760 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.760 -14.115 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.244 -15.710 2.616 1.00 0.00 H new ATOM 0 HG LEU A 53 3.446 -14.275 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.397 -13.905 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.943 -13.087 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.499 -14.602 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.198 -16.001 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.292 -16.781 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.598 -16.713 0.087 1.00 0.00 H new ATOM 848 N SER A 54 -1.025 -14.600 0.996 1.00 0.00 N ATOM 849 CA SER A 54 -2.376 -14.398 1.506 1.00 0.00 C ATOM 850 C SER A 54 -3.327 -14.000 0.382 1.00 0.00 C ATOM 851 O SER A 54 -3.347 -12.847 -0.050 1.00 0.00 O ATOM 852 CB SER A 54 -2.378 -13.324 2.596 1.00 0.00 C ATOM 853 OG SER A 54 -2.103 -13.887 3.867 1.00 0.00 O ATOM 0 H SER A 54 -0.724 -13.906 0.312 1.00 0.00 H new ATOM 0 HA SER A 54 -2.721 -15.340 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.633 -12.563 2.363 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.347 -12.825 2.618 1.00 0.00 H new ATOM 0 HG SER A 54 -2.108 -13.180 4.546 1.00 0.00 H new ATOM 859 N MET A 55 -4.115 -14.962 -0.088 1.00 0.00 N ATOM 860 CA MET A 55 -5.069 -14.712 -1.161 1.00 0.00 C ATOM 861 C MET A 55 -6.346 -14.080 -0.617 1.00 0.00 C ATOM 862 O MET A 55 -6.978 -13.261 -1.285 1.00 0.00 O ATOM 863 CB MET A 55 -5.402 -16.015 -1.891 1.00 0.00 C ATOM 864 CG MET A 55 -4.177 -16.836 -2.258 1.00 0.00 C ATOM 865 SD MET A 55 -4.538 -18.119 -3.472 1.00 0.00 S ATOM 866 CE MET A 55 -3.835 -19.556 -2.666 1.00 0.00 C ATOM 0 H MET A 55 -4.111 -15.922 0.258 1.00 0.00 H new ATOM 0 HA MET A 55 -4.612 -14.017 -1.865 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.058 -16.617 -1.262 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.958 -15.781 -2.799 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.406 -16.174 -2.653 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.771 -17.297 -1.358 1.00 0.00 H new ATOM 0 HE1 MET A 55 -3.979 -20.434 -3.296 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.769 -19.397 -2.504 1.00 0.00 H new ATOM 0 HE3 MET A 55 -4.328 -19.713 -1.707 1.00 0.00 H new ATOM 876 N ARG A 56 -6.721 -14.465 0.598 1.00 0.00 N ATOM 877 CA ARG A 56 -7.923 -13.937 1.231 1.00 0.00 C ATOM 878 C ARG A 56 -7.663 -13.601 2.697 1.00 0.00 C ATOM 879 O ARG A 56 -8.569 -13.664 3.527 1.00 0.00 O ATOM 880 CB ARG A 56 -9.067 -14.947 1.124 1.00 0.00 C ATOM 881 CG ARG A 56 -9.358 -15.388 -0.301 1.00 0.00 C ATOM 882 CD ARG A 56 -10.207 -14.365 -1.039 1.00 0.00 C ATOM 883 NE ARG A 56 -11.473 -14.110 -0.358 1.00 0.00 N ATOM 884 CZ ARG A 56 -12.424 -13.321 -0.845 1.00 0.00 C ATOM 885 NH1 ARG A 56 -12.254 -12.714 -2.012 1.00 0.00 N ATOM 886 NH2 ARG A 56 -13.550 -13.139 -0.166 1.00 0.00 N ATOM 0 H ARG A 56 -6.209 -15.141 1.164 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.205 -13.022 0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.824 -15.824 1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.969 -14.508 1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.420 -15.537 -0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.873 -16.348 -0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.651 -13.432 -1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.405 -14.720 -2.050 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.636 -14.563 0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.391 -12.853 -2.538 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.986 -12.109 -2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.686 -13.605 0.731 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.279 -12.533 -0.541 1.00 0.00 H new ATOM 900 N GLN A 57 -6.421 -13.244 3.005 1.00 0.00 N ATOM 901 CA GLN A 57 -6.042 -12.899 4.370 1.00 0.00 C ATOM 902 C GLN A 57 -5.604 -11.441 4.462 1.00 0.00 C ATOM 903 O GLN A 57 -5.689 -10.823 5.523 1.00 0.00 O ATOM 904 CB GLN A 57 -4.917 -13.814 4.857 1.00 0.00 C ATOM 905 CG GLN A 57 -5.408 -15.005 5.664 1.00 0.00 C ATOM 906 CD GLN A 57 -6.262 -14.595 6.848 1.00 0.00 C ATOM 907 OE1 GLN A 57 -6.118 -13.495 7.382 1.00 0.00 O ATOM 908 NE2 GLN A 57 -7.159 -15.481 7.265 1.00 0.00 N ATOM 0 H GLN A 57 -5.660 -13.186 2.328 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.915 -13.038 5.008 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.356 -14.176 3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.225 -13.233 5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.985 -15.665 5.016 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.551 -15.576 6.020 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.244 -16.381 6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.763 -15.261 8.057 1.00 0.00 H new ATOM 917 N ILE A 58 -5.135 -10.898 3.343 1.00 0.00 N ATOM 918 CA ILE A 58 -4.684 -9.513 3.298 1.00 0.00 C ATOM 919 C ILE A 58 -5.815 -8.555 3.656 1.00 0.00 C ATOM 920 O ILE A 58 -6.929 -8.676 3.148 1.00 0.00 O ATOM 921 CB ILE A 58 -4.135 -9.145 1.907 1.00 0.00 C ATOM 922 CG1 ILE A 58 -2.923 -10.015 1.566 1.00 0.00 C ATOM 923 CG2 ILE A 58 -3.766 -7.670 1.856 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.726 -9.757 2.454 1.00 0.00 C ATOM 0 H ILE A 58 -5.058 -11.396 2.456 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.884 -9.417 4.032 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.912 -9.331 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.205 -11.065 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.640 -9.839 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.380 -7.426 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.651 -7.066 2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.003 -7.460 2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.904 -10.408 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.418 -8.716 2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.992 -9.961 3.491 1.00 0.00 H new ATOM 936 N ARG A 59 -5.519 -7.600 4.533 1.00 0.00 N ATOM 937 CA ARG A 59 -6.511 -6.620 4.958 1.00 0.00 C ATOM 938 C ARG A 59 -5.835 -5.366 5.506 1.00 0.00 C ATOM 939 O ARG A 59 -4.966 -5.445 6.374 1.00 0.00 O ATOM 940 CB ARG A 59 -7.431 -7.223 6.022 1.00 0.00 C ATOM 941 CG ARG A 59 -8.629 -7.957 5.444 1.00 0.00 C ATOM 942 CD ARG A 59 -9.693 -8.207 6.503 1.00 0.00 C ATOM 943 NE ARG A 59 -10.647 -7.105 6.590 1.00 0.00 N ATOM 944 CZ ARG A 59 -11.717 -7.120 7.377 1.00 0.00 C ATOM 945 NH1 ARG A 59 -11.967 -8.174 8.142 1.00 0.00 N ATOM 946 NH2 ARG A 59 -12.539 -6.079 7.401 1.00 0.00 N ATOM 0 H ARG A 59 -4.601 -7.485 4.962 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.106 -6.341 4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.856 -7.913 6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.785 -6.428 6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.056 -7.373 4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.305 -8.908 5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.225 -9.130 6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.214 -8.349 7.472 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.483 -6.279 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.337 -8.976 8.127 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.789 -8.183 8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.350 -5.266 6.815 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.360 -6.092 8.006 1.00 0.00 H new ATOM 960 N PHE A 60 -6.241 -4.210 4.992 1.00 0.00 N ATOM 961 CA PHE A 60 -5.674 -2.939 5.428 1.00 0.00 C ATOM 962 C PHE A 60 -6.357 -2.447 6.701 1.00 0.00 C ATOM 963 O PHE A 60 -7.585 -2.406 6.783 1.00 0.00 O ATOM 964 CB PHE A 60 -5.812 -1.889 4.323 1.00 0.00 C ATOM 965 CG PHE A 60 -4.661 -1.879 3.358 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.487 -1.211 3.667 1.00 0.00 C ATOM 967 CD2 PHE A 60 -4.753 -2.537 2.143 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.427 -1.200 2.781 1.00 0.00 C ATOM 969 CE2 PHE A 60 -3.696 -2.530 1.252 1.00 0.00 C ATOM 970 CZ PHE A 60 -2.531 -1.861 1.572 1.00 0.00 C ATOM 0 H PHE A 60 -6.960 -4.127 4.273 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.617 -3.095 5.641 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.735 -2.071 3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.902 -0.903 4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.400 -0.693 4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.662 -3.062 1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.518 -0.675 3.033 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.781 -3.047 0.307 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.703 -1.854 0.879 1.00 0.00 H new ATOM 980 N ARG A 61 -5.552 -2.076 7.691 1.00 0.00 N ATOM 981 CA ARG A 61 -6.078 -1.589 8.961 1.00 0.00 C ATOM 982 C ARG A 61 -5.123 -0.580 9.593 1.00 0.00 C ATOM 983 O ARG A 61 -3.906 -0.764 9.573 1.00 0.00 O ATOM 984 CB ARG A 61 -6.313 -2.756 9.921 1.00 0.00 C ATOM 985 CG ARG A 61 -7.415 -2.498 10.935 1.00 0.00 C ATOM 986 CD ARG A 61 -7.270 -3.393 12.156 1.00 0.00 C ATOM 987 NE ARG A 61 -6.018 -3.151 12.866 1.00 0.00 N ATOM 988 CZ ARG A 61 -5.501 -3.995 13.752 1.00 0.00 C ATOM 989 NH1 ARG A 61 -6.125 -5.130 14.034 1.00 0.00 N ATOM 990 NH2 ARG A 61 -4.356 -3.705 14.358 1.00 0.00 N ATOM 0 H ARG A 61 -4.534 -2.103 7.638 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.028 -1.092 8.766 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.563 -3.646 9.343 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.386 -2.971 10.452 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.389 -1.453 11.244 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.386 -2.669 10.470 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.108 -3.223 12.831 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.316 -4.437 11.847 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.512 -2.287 12.671 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.005 -5.357 13.570 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.726 -5.776 14.715 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.872 -2.833 14.144 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.960 -4.354 15.038 1.00 0.00 H new ATOM 1004 N PHE A 62 -5.684 0.488 10.152 1.00 0.00 N ATOM 1005 CA PHE A 62 -4.883 1.527 10.788 1.00 0.00 C ATOM 1006 C PHE A 62 -5.151 1.577 12.290 1.00 0.00 C ATOM 1007 O PHE A 62 -6.155 1.049 12.770 1.00 0.00 O ATOM 1008 CB PHE A 62 -5.184 2.889 10.160 1.00 0.00 C ATOM 1009 CG PHE A 62 -4.197 3.956 10.540 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -2.850 3.804 10.256 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -4.618 5.110 11.181 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -1.940 4.784 10.606 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -3.712 6.093 11.533 1.00 0.00 C ATOM 1014 CZ PHE A 62 -2.372 5.930 11.244 1.00 0.00 C ATOM 0 H PHE A 62 -6.690 0.656 10.177 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.831 1.287 10.632 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.195 2.785 9.075 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.183 3.206 10.460 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.507 2.910 9.756 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.665 5.243 11.408 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.892 4.653 10.381 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.052 6.988 12.034 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.663 6.697 11.516 1.00 0.00 H new ATOM 1024 N ASP A 63 -4.247 2.214 13.025 1.00 0.00 N ATOM 1025 CA ASP A 63 -4.385 2.334 14.472 1.00 0.00 C ATOM 1026 C ASP A 63 -5.429 3.386 14.833 1.00 0.00 C ATOM 1027 O ASP A 63 -5.124 4.377 15.495 1.00 0.00 O ATOM 1028 CB ASP A 63 -3.040 2.694 15.105 1.00 0.00 C ATOM 1029 CG ASP A 63 -3.002 2.397 16.592 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -3.565 3.194 17.371 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -2.411 1.366 16.975 1.00 0.00 O ATOM 0 H ASP A 63 -3.411 2.655 12.643 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.716 1.371 14.862 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.246 2.138 14.606 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.837 3.753 14.944 1.00 0.00 H new ATOM 1036 N GLY A 64 -6.663 3.163 14.391 1.00 0.00 N ATOM 1037 CA GLY A 64 -7.734 4.101 14.677 1.00 0.00 C ATOM 1038 C GLY A 64 -9.089 3.586 14.234 1.00 0.00 C ATOM 1039 O GLY A 64 -10.103 3.859 14.875 1.00 0.00 O ATOM 0 H GLY A 64 -6.940 2.350 13.840 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.758 4.305 15.748 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.527 5.047 14.177 1.00 0.00 H new ATOM 1043 N GLN A 65 -9.106 2.840 13.134 1.00 0.00 N ATOM 1044 CA GLN A 65 -10.348 2.288 12.605 1.00 0.00 C ATOM 1045 C GLN A 65 -10.074 1.374 11.415 1.00 0.00 C ATOM 1046 O GLN A 65 -9.041 1.470 10.752 1.00 0.00 O ATOM 1047 CB GLN A 65 -11.295 3.415 12.190 1.00 0.00 C ATOM 1048 CG GLN A 65 -10.600 4.561 11.472 1.00 0.00 C ATOM 1049 CD GLN A 65 -11.535 5.331 10.560 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -12.577 4.822 10.147 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -11.166 6.566 10.241 1.00 0.00 N ATOM 0 H GLN A 65 -8.275 2.604 12.592 1.00 0.00 H new ATOM 0 HA GLN A 65 -10.819 1.698 13.392 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.069 3.007 11.541 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.795 3.803 13.077 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.175 5.242 12.209 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.770 4.167 10.886 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.294 6.948 10.606 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.755 7.133 9.631 1.00 0.00 H new ATOM 1060 N PRO A 66 -11.020 0.464 11.138 1.00 0.00 N ATOM 1061 CA PRO A 66 -10.904 -0.485 10.027 1.00 0.00 C ATOM 1062 C PRO A 66 -11.021 0.196 8.668 1.00 0.00 C ATOM 1063 O PRO A 66 -11.362 1.376 8.581 1.00 0.00 O ATOM 1064 CB PRO A 66 -12.080 -1.439 10.250 1.00 0.00 C ATOM 1065 CG PRO A 66 -13.076 -0.639 11.018 1.00 0.00 C ATOM 1066 CD PRO A 66 -12.277 0.294 11.886 1.00 0.00 C ATOM 0 HA PRO A 66 -9.933 -0.980 10.014 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.495 -1.784 9.303 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.771 -2.325 10.805 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.731 -0.083 10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -13.713 -1.285 11.622 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.789 1.245 12.032 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.102 -0.129 12.875 1.00 0.00 H new ATOM 1074 N ILE A 67 -10.736 -0.555 7.609 1.00 0.00 N ATOM 1075 CA ILE A 67 -10.811 -0.023 6.254 1.00 0.00 C ATOM 1076 C ILE A 67 -11.391 -1.053 5.290 1.00 0.00 C ATOM 1077 O ILE A 67 -11.099 -2.244 5.390 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.426 0.418 5.744 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.729 1.292 6.788 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -9.560 1.163 4.425 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -7.338 1.725 6.382 1.00 0.00 C ATOM 0 H ILE A 67 -10.451 -1.533 7.663 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.468 0.846 6.293 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.817 -0.470 5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.337 2.178 6.973 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.670 0.744 7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.573 1.468 4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.020 0.510 3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.183 2.046 4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.904 2.341 7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.714 0.845 6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.391 2.301 5.458 1.00 0.00 H new ATOM 1093 N ASN A 68 -12.212 -0.586 4.356 1.00 0.00 N ATOM 1094 CA ASN A 68 -12.832 -1.466 3.372 1.00 0.00 C ATOM 1095 C ASN A 68 -11.959 -1.592 2.128 1.00 0.00 C ATOM 1096 O ASN A 68 -11.120 -0.733 1.857 1.00 0.00 O ATOM 1097 CB ASN A 68 -14.216 -0.941 2.987 1.00 0.00 C ATOM 1098 CG ASN A 68 -15.300 -1.421 3.933 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -15.045 -1.674 5.110 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -16.519 -1.548 3.420 1.00 0.00 N ATOM 0 H ASN A 68 -12.464 0.398 4.259 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.938 -2.454 3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.199 0.149 2.981 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.454 -1.262 1.973 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -17.289 -1.867 4.008 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -16.685 -1.327 2.438 1.00 0.00 H new ATOM 1107 N GLU A 69 -12.163 -2.667 1.374 1.00 0.00 N ATOM 1108 CA GLU A 69 -11.394 -2.905 0.158 1.00 0.00 C ATOM 1109 C GLU A 69 -11.807 -1.934 -0.945 1.00 0.00 C ATOM 1110 O GLU A 69 -10.972 -1.459 -1.715 1.00 0.00 O ATOM 1111 CB GLU A 69 -11.583 -4.346 -0.319 1.00 0.00 C ATOM 1112 CG GLU A 69 -13.034 -4.715 -0.581 1.00 0.00 C ATOM 1113 CD GLU A 69 -13.319 -6.181 -0.317 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -13.205 -6.606 0.852 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -13.657 -6.902 -1.279 1.00 0.00 O ATOM 0 H GLU A 69 -12.854 -3.387 1.584 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.341 -2.742 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.008 -4.496 -1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.174 -5.024 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.680 -4.104 0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.284 -4.481 -1.616 1.00 0.00 H new ATOM 1122 N THR A 70 -13.103 -1.645 -1.016 1.00 0.00 N ATOM 1123 CA THR A 70 -13.628 -0.733 -2.024 1.00 0.00 C ATOM 1124 C THR A 70 -13.268 0.712 -1.701 1.00 0.00 C ATOM 1125 O THR A 70 -13.138 1.545 -2.598 1.00 0.00 O ATOM 1126 CB THR A 70 -15.159 -0.854 -2.147 1.00 0.00 C ATOM 1127 OG1 THR A 70 -15.619 -0.113 -3.283 1.00 0.00 O ATOM 1128 CG2 THR A 70 -15.844 -0.341 -0.890 1.00 0.00 C ATOM 0 H THR A 70 -13.808 -2.030 -0.387 1.00 0.00 H new ATOM 0 HA THR A 70 -13.171 -1.014 -2.973 1.00 0.00 H new ATOM 0 HB THR A 70 -15.410 -1.907 -2.275 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.593 -0.196 -3.355 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.924 -0.436 -1.000 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.514 -0.925 -0.031 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.586 0.707 -0.737 1.00 0.00 H new ATOM 1136 N ASP A 71 -13.106 1.003 -0.415 1.00 0.00 N ATOM 1137 CA ASP A 71 -12.758 2.348 0.027 1.00 0.00 C ATOM 1138 C ASP A 71 -11.392 2.760 -0.510 1.00 0.00 C ATOM 1139 O ASP A 71 -10.627 1.928 -0.998 1.00 0.00 O ATOM 1140 CB ASP A 71 -12.763 2.423 1.555 1.00 0.00 C ATOM 1141 CG ASP A 71 -13.252 3.763 2.067 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -13.365 4.705 1.254 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -13.524 3.871 3.281 1.00 0.00 O ATOM 0 H ASP A 71 -13.210 0.325 0.340 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.506 3.037 -0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.398 1.632 1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.755 2.241 1.928 1.00 0.00 H new ATOM 1148 N THR A 72 -11.091 4.052 -0.420 1.00 0.00 N ATOM 1149 CA THR A 72 -9.818 4.576 -0.899 1.00 0.00 C ATOM 1150 C THR A 72 -9.089 5.341 0.200 1.00 0.00 C ATOM 1151 O THR A 72 -9.687 5.790 1.178 1.00 0.00 O ATOM 1152 CB THR A 72 -10.013 5.505 -2.112 1.00 0.00 C ATOM 1153 OG1 THR A 72 -11.261 6.198 -2.002 1.00 0.00 O ATOM 1154 CG2 THR A 72 -9.981 4.713 -3.411 1.00 0.00 C ATOM 0 H THR A 72 -11.712 4.755 -0.019 1.00 0.00 H new ATOM 0 HA THR A 72 -9.217 3.718 -1.201 1.00 0.00 H new ATOM 0 HB THR A 72 -9.196 6.227 -2.124 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.377 6.788 -2.776 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.121 5.390 -4.254 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.019 4.209 -3.506 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.780 3.972 -3.405 1.00 0.00 H new ATOM 1162 N PRO A 73 -7.767 5.494 0.038 1.00 0.00 N ATOM 1163 CA PRO A 73 -6.928 6.207 1.007 1.00 0.00 C ATOM 1164 C PRO A 73 -7.200 7.707 1.016 1.00 0.00 C ATOM 1165 O PRO A 73 -6.696 8.433 1.872 1.00 0.00 O ATOM 1166 CB PRO A 73 -5.505 5.924 0.520 1.00 0.00 C ATOM 1167 CG PRO A 73 -5.651 5.652 -0.938 1.00 0.00 C ATOM 1168 CD PRO A 73 -6.988 4.985 -1.103 1.00 0.00 C ATOM 0 HA PRO A 73 -7.116 5.878 2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.848 6.775 0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.071 5.070 1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.602 6.576 -1.514 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.847 5.009 -1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.452 5.245 -2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.901 3.899 -1.077 1.00 0.00 H new ATOM 1176 N ALA A 74 -8.000 8.165 0.059 1.00 0.00 N ATOM 1177 CA ALA A 74 -8.341 9.578 -0.041 1.00 0.00 C ATOM 1178 C ALA A 74 -9.418 9.956 0.970 1.00 0.00 C ATOM 1179 O ALA A 74 -9.403 11.054 1.526 1.00 0.00 O ATOM 1180 CB ALA A 74 -8.799 9.912 -1.453 1.00 0.00 C ATOM 0 H ALA A 74 -8.424 7.577 -0.659 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.447 10.159 0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.051 10.971 -1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.998 9.689 -2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.677 9.316 -1.701 1.00 0.00 H new ATOM 1186 N GLN A 75 -10.353 9.040 1.203 1.00 0.00 N ATOM 1187 CA GLN A 75 -11.438 9.279 2.146 1.00 0.00 C ATOM 1188 C GLN A 75 -11.064 8.791 3.542 1.00 0.00 C ATOM 1189 O GLN A 75 -11.906 8.742 4.440 1.00 0.00 O ATOM 1190 CB GLN A 75 -12.715 8.581 1.674 1.00 0.00 C ATOM 1191 CG GLN A 75 -13.101 8.921 0.244 1.00 0.00 C ATOM 1192 CD GLN A 75 -14.239 8.063 -0.273 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -14.016 7.039 -0.919 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -15.469 8.476 0.010 1.00 0.00 N ATOM 0 H GLN A 75 -10.380 8.126 0.751 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.615 10.354 2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.582 7.502 1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.535 8.855 2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.389 9.971 0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.233 8.794 -0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.609 9.331 0.548 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.274 7.938 -0.311 1.00 0.00 H new ATOM 1203 N LEU A 76 -9.798 8.431 3.717 1.00 0.00 N ATOM 1204 CA LEU A 76 -9.311 7.947 5.004 1.00 0.00 C ATOM 1205 C LEU A 76 -8.222 8.862 5.554 1.00 0.00 C ATOM 1206 O LEU A 76 -7.878 8.794 6.734 1.00 0.00 O ATOM 1207 CB LEU A 76 -8.774 6.522 4.865 1.00 0.00 C ATOM 1208 CG LEU A 76 -9.802 5.399 5.006 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -10.257 5.270 6.451 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -10.992 5.649 4.091 1.00 0.00 C ATOM 0 H LEU A 76 -9.090 8.465 2.984 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.147 7.947 5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.296 6.429 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.998 6.373 5.616 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.331 4.462 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.988 4.466 6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.399 5.045 7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.711 6.207 6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.714 4.840 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.463 6.595 4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.653 5.691 3.056 1.00 0.00 H new ATOM 1222 N GLU A 77 -7.685 9.719 4.692 1.00 0.00 N ATOM 1223 CA GLU A 77 -6.636 10.649 5.093 1.00 0.00 C ATOM 1224 C GLU A 77 -5.376 9.898 5.515 1.00 0.00 C ATOM 1225 O GLU A 77 -4.725 10.260 6.495 1.00 0.00 O ATOM 1226 CB GLU A 77 -7.122 11.538 6.239 1.00 0.00 C ATOM 1227 CG GLU A 77 -8.522 12.089 6.031 1.00 0.00 C ATOM 1228 CD GLU A 77 -8.744 13.406 6.748 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -7.959 13.722 7.666 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -9.704 14.121 6.391 1.00 0.00 O ATOM 0 H GLU A 77 -7.959 9.789 3.712 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.394 11.276 4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.100 10.965 7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.428 12.370 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.699 12.226 4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.251 11.360 6.384 1.00 0.00 H new ATOM 1237 N MET A 78 -5.040 8.851 4.769 1.00 0.00 N ATOM 1238 CA MET A 78 -3.858 8.050 5.066 1.00 0.00 C ATOM 1239 C MET A 78 -2.720 8.384 4.107 1.00 0.00 C ATOM 1240 O MET A 78 -2.331 7.560 3.280 1.00 0.00 O ATOM 1241 CB MET A 78 -4.192 6.559 4.980 1.00 0.00 C ATOM 1242 CG MET A 78 -5.431 6.167 5.768 1.00 0.00 C ATOM 1243 SD MET A 78 -5.108 4.858 6.964 1.00 0.00 S ATOM 1244 CE MET A 78 -6.451 5.116 8.120 1.00 0.00 C ATOM 0 H MET A 78 -5.569 8.537 3.955 1.00 0.00 H new ATOM 0 HA MET A 78 -3.535 8.285 6.080 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.335 6.287 3.934 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.342 5.983 5.345 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.817 7.043 6.289 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.208 5.839 5.077 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.846 4.152 8.440 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.084 5.664 8.988 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.242 5.690 7.637 1.00 0.00 H new ATOM 1254 N GLU A 79 -2.190 9.598 4.225 1.00 0.00 N ATOM 1255 CA GLU A 79 -1.097 10.040 3.367 1.00 0.00 C ATOM 1256 C GLU A 79 0.057 10.593 4.199 1.00 0.00 C ATOM 1257 O GLU A 79 0.099 10.418 5.416 1.00 0.00 O ATOM 1258 CB GLU A 79 -1.589 11.105 2.385 1.00 0.00 C ATOM 1259 CG GLU A 79 -3.050 10.950 2.001 1.00 0.00 C ATOM 1260 CD GLU A 79 -3.477 11.928 0.923 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -2.692 12.847 0.610 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -4.597 11.773 0.392 1.00 0.00 O ATOM 0 H GLU A 79 -2.500 10.292 4.906 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.737 9.178 2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.441 12.090 2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.979 11.065 1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.224 9.932 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.671 11.095 2.885 1.00 0.00 H new ATOM 1269 N ASP A 80 0.992 11.260 3.531 1.00 0.00 N ATOM 1270 CA ASP A 80 2.147 11.840 4.207 1.00 0.00 C ATOM 1271 C ASP A 80 3.017 10.751 4.827 1.00 0.00 C ATOM 1272 O ASP A 80 3.427 10.854 5.983 1.00 0.00 O ATOM 1273 CB ASP A 80 1.693 12.824 5.286 1.00 0.00 C ATOM 1274 CG ASP A 80 2.701 13.931 5.522 1.00 0.00 C ATOM 1275 OD1 ASP A 80 3.778 13.897 4.890 1.00 0.00 O ATOM 1276 OD2 ASP A 80 2.414 14.832 6.338 1.00 0.00 O ATOM 0 H ASP A 80 0.973 11.412 2.523 1.00 0.00 H new ATOM 0 HA ASP A 80 2.740 12.375 3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.738 13.262 4.995 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.526 12.284 6.218 1.00 0.00 H new ATOM 1281 N GLU A 81 3.293 9.707 4.052 1.00 0.00 N ATOM 1282 CA GLU A 81 4.112 8.598 4.527 1.00 0.00 C ATOM 1283 C GLU A 81 3.425 7.868 5.677 1.00 0.00 C ATOM 1284 O GLU A 81 4.052 7.551 6.688 1.00 0.00 O ATOM 1285 CB GLU A 81 5.484 9.105 4.977 1.00 0.00 C ATOM 1286 CG GLU A 81 6.128 10.070 3.996 1.00 0.00 C ATOM 1287 CD GLU A 81 7.527 10.478 4.413 1.00 0.00 C ATOM 1288 OE1 GLU A 81 7.710 10.849 5.592 1.00 0.00 O ATOM 1289 OE2 GLU A 81 8.439 10.428 3.562 1.00 0.00 O ATOM 0 H GLU A 81 2.962 9.606 3.093 1.00 0.00 H new ATOM 0 HA GLU A 81 4.244 7.898 3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.381 9.598 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.147 8.252 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.167 9.607 3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.506 10.960 3.906 1.00 0.00 H new ATOM 1296 N ASP A 82 2.133 7.605 5.515 1.00 0.00 N ATOM 1297 CA ASP A 82 1.359 6.912 6.539 1.00 0.00 C ATOM 1298 C ASP A 82 1.643 5.413 6.512 1.00 0.00 C ATOM 1299 O ASP A 82 1.763 4.811 5.445 1.00 0.00 O ATOM 1300 CB ASP A 82 -0.135 7.164 6.337 1.00 0.00 C ATOM 1301 CG ASP A 82 -0.908 7.139 7.642 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -1.316 6.038 8.067 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -1.105 8.219 8.236 1.00 0.00 O ATOM 0 H ASP A 82 1.599 7.861 4.684 1.00 0.00 H new ATOM 0 HA ASP A 82 1.657 7.303 7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.275 8.131 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.540 6.409 5.663 1.00 0.00 H new ATOM 1308 N THR A 83 1.749 4.815 7.695 1.00 0.00 N ATOM 1309 CA THR A 83 2.021 3.387 7.808 1.00 0.00 C ATOM 1310 C THR A 83 0.783 2.627 8.272 1.00 0.00 C ATOM 1311 O THR A 83 0.433 2.656 9.452 1.00 0.00 O ATOM 1312 CB THR A 83 3.177 3.111 8.787 1.00 0.00 C ATOM 1313 OG1 THR A 83 4.259 4.014 8.535 1.00 0.00 O ATOM 1314 CG2 THR A 83 3.665 1.676 8.657 1.00 0.00 C ATOM 0 H THR A 83 1.651 5.298 8.588 1.00 0.00 H new ATOM 0 HA THR A 83 2.306 3.040 6.815 1.00 0.00 H new ATOM 0 HB THR A 83 2.809 3.262 9.802 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.989 3.833 9.163 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.482 1.504 9.358 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.846 0.992 8.879 1.00 0.00 H new ATOM 0 HG23 THR A 83 4.017 1.502 7.640 1.00 0.00 H new ATOM 1322 N ILE A 84 0.127 1.949 7.337 1.00 0.00 N ATOM 1323 CA ILE A 84 -1.071 1.180 7.652 1.00 0.00 C ATOM 1324 C ILE A 84 -0.722 -0.265 7.996 1.00 0.00 C ATOM 1325 O ILE A 84 -0.137 -0.983 7.185 1.00 0.00 O ATOM 1326 CB ILE A 84 -2.071 1.190 6.481 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -2.289 2.619 5.980 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -3.391 0.564 6.906 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -3.276 2.715 4.838 1.00 0.00 C ATOM 0 H ILE A 84 0.404 1.916 6.356 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.533 1.656 8.517 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.657 0.598 5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.642 3.235 6.807 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.333 3.033 5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.087 0.579 6.067 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.221 -0.466 7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.812 1.131 7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.381 3.757 4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.915 2.126 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.244 2.332 5.161 1.00 0.00 H new ATOM 1341 N ASP A 85 -1.086 -0.684 9.203 1.00 0.00 N ATOM 1342 CA ASP A 85 -0.815 -2.044 9.653 1.00 0.00 C ATOM 1343 C ASP A 85 -1.564 -3.060 8.797 1.00 0.00 C ATOM 1344 O ASP A 85 -2.787 -3.178 8.881 1.00 0.00 O ATOM 1345 CB ASP A 85 -1.210 -2.206 11.122 1.00 0.00 C ATOM 1346 CG ASP A 85 -0.207 -1.570 12.065 1.00 0.00 C ATOM 1347 OD1 ASP A 85 0.717 -0.887 11.576 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -0.348 -1.754 13.292 1.00 0.00 O ATOM 0 H ASP A 85 -1.569 -0.102 9.887 1.00 0.00 H new ATOM 0 HA ASP A 85 0.254 -2.228 9.550 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.190 -1.758 11.283 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.302 -3.267 11.356 1.00 0.00 H new ATOM 1353 N VAL A 86 -0.822 -3.793 7.972 1.00 0.00 N ATOM 1354 CA VAL A 86 -1.416 -4.799 7.100 1.00 0.00 C ATOM 1355 C VAL A 86 -1.587 -6.127 7.829 1.00 0.00 C ATOM 1356 O VAL A 86 -0.747 -6.512 8.643 1.00 0.00 O ATOM 1357 CB VAL A 86 -0.561 -5.024 5.839 1.00 0.00 C ATOM 1358 CG1 VAL A 86 0.581 -5.985 6.133 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -1.422 -5.541 4.697 1.00 0.00 C ATOM 0 H VAL A 86 0.191 -3.709 7.890 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.395 -4.422 6.804 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.132 -4.069 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.174 -6.132 5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.212 -5.570 6.919 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.176 -6.942 6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.801 -5.694 3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.881 -6.486 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.201 -4.813 4.471 1.00 0.00 H new ATOM 1369 N PHE A 87 -2.679 -6.823 7.532 1.00 0.00 N ATOM 1370 CA PHE A 87 -2.960 -8.109 8.160 1.00 0.00 C ATOM 1371 C PHE A 87 -2.771 -9.252 7.167 1.00 0.00 C ATOM 1372 O PHE A 87 -3.608 -9.472 6.292 1.00 0.00 O ATOM 1373 CB PHE A 87 -4.387 -8.129 8.712 1.00 0.00 C ATOM 1374 CG PHE A 87 -4.578 -9.098 9.844 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -3.751 -9.057 10.955 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -5.584 -10.049 9.797 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -3.924 -9.948 11.997 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -5.762 -10.942 10.837 1.00 0.00 C ATOM 1379 CZ PHE A 87 -4.931 -10.891 11.939 1.00 0.00 C ATOM 0 H PHE A 87 -3.384 -6.518 6.861 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.257 -8.245 8.982 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.650 -7.128 9.053 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.076 -8.383 7.907 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.963 -8.321 11.007 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.237 -10.093 8.938 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.272 -9.907 12.857 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.550 -11.679 10.788 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.068 -11.587 12.753 1.00 0.00 H new ATOM 1389 N GLN A 88 -1.665 -9.975 7.310 1.00 0.00 N ATOM 1390 CA GLN A 88 -1.365 -11.095 6.425 1.00 0.00 C ATOM 1391 C GLN A 88 -1.130 -12.372 7.224 1.00 0.00 C ATOM 1392 O GLN A 88 0.006 -12.704 7.561 1.00 0.00 O ATOM 1393 CB GLN A 88 -0.136 -10.781 5.569 1.00 0.00 C ATOM 1394 CG GLN A 88 1.008 -10.160 6.354 1.00 0.00 C ATOM 1395 CD GLN A 88 2.367 -10.506 5.775 1.00 0.00 C ATOM 1396 OE1 GLN A 88 2.744 -10.016 4.711 1.00 0.00 O ATOM 1397 NE2 GLN A 88 3.110 -11.355 6.476 1.00 0.00 N ATOM 0 H GLN A 88 -0.962 -9.806 8.030 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.224 -11.250 5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.214 -11.700 5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.426 -10.103 4.767 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.888 -9.077 6.368 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.961 -10.500 7.389 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.757 -11.737 7.354 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.033 -11.625 6.137 1.00 0.00 H new ATOM 1406 N GLN A 89 -2.212 -13.085 7.523 1.00 0.00 N ATOM 1407 CA GLN A 89 -2.123 -14.326 8.283 1.00 0.00 C ATOM 1408 C GLN A 89 -1.704 -15.485 7.386 1.00 0.00 C ATOM 1409 O GLN A 89 -2.242 -15.661 6.292 1.00 0.00 O ATOM 1410 CB GLN A 89 -3.464 -14.638 8.949 1.00 0.00 C ATOM 1411 CG GLN A 89 -3.393 -15.774 9.957 1.00 0.00 C ATOM 1412 CD GLN A 89 -3.569 -17.136 9.316 1.00 0.00 C ATOM 1413 OE1 GLN A 89 -3.818 -17.241 8.114 1.00 0.00 O ATOM 1414 NE2 GLN A 89 -3.440 -18.188 10.115 1.00 0.00 N ATOM 0 H GLN A 89 -3.160 -12.824 7.250 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.364 -14.196 9.055 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.829 -13.741 9.450 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.192 -14.892 8.179 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.432 -15.740 10.470 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.164 -15.631 10.714 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.233 -18.054 11.105 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.547 -19.130 9.739 1.00 0.00 H new ATOM 1423 N GLN A 90 -0.743 -16.273 7.855 1.00 0.00 N ATOM 1424 CA GLN A 90 -0.252 -17.416 7.093 1.00 0.00 C ATOM 1425 C GLN A 90 -0.435 -18.712 7.877 1.00 0.00 C ATOM 1426 O GLN A 90 -0.586 -18.695 9.099 1.00 0.00 O ATOM 1427 CB GLN A 90 1.223 -17.224 6.739 1.00 0.00 C ATOM 1428 CG GLN A 90 2.039 -16.587 7.853 1.00 0.00 C ATOM 1429 CD GLN A 90 1.806 -17.248 9.197 1.00 0.00 C ATOM 1430 OE1 GLN A 90 0.991 -16.786 9.996 1.00 0.00 O ATOM 1431 NE2 GLN A 90 2.522 -18.336 9.455 1.00 0.00 N ATOM 0 H GLN A 90 -0.288 -16.142 8.759 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.833 -17.484 6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.657 -18.192 6.490 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.296 -16.603 5.846 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.098 -16.646 7.602 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.787 -15.529 7.924 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.187 -18.685 8.764 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.407 -18.823 10.344 1.00 0.00 H new ATOM 1440 N THR A 91 -0.420 -19.835 7.166 1.00 0.00 N ATOM 1441 CA THR A 91 -0.585 -21.139 7.794 1.00 0.00 C ATOM 1442 C THR A 91 0.754 -21.852 7.942 1.00 0.00 C ATOM 1443 O THR A 91 0.920 -22.708 8.810 1.00 0.00 O ATOM 1444 CB THR A 91 -1.544 -22.035 6.986 1.00 0.00 C ATOM 1445 OG1 THR A 91 -2.773 -21.342 6.742 1.00 0.00 O ATOM 1446 CG2 THR A 91 -1.825 -23.333 7.726 1.00 0.00 C ATOM 0 H THR A 91 -0.295 -19.867 6.154 1.00 0.00 H new ATOM 0 HA THR A 91 -1.010 -20.962 8.782 1.00 0.00 H new ATOM 0 HB THR A 91 -1.068 -22.274 6.035 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.376 -21.917 6.227 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.504 -23.949 7.136 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.891 -23.872 7.883 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.282 -23.111 8.690 1.00 0.00 H new ATOM 1454 N GLY A 92 1.708 -21.492 7.089 1.00 0.00 N ATOM 1455 CA GLY A 92 3.022 -22.107 7.143 1.00 0.00 C ATOM 1456 C GLY A 92 4.134 -21.128 6.824 1.00 0.00 C ATOM 1457 O GLY A 92 5.258 -21.529 6.527 1.00 0.00 O ATOM 0 H GLY A 92 1.595 -20.786 6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.184 -22.524 8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.060 -22.938 6.438 1.00 0.00 H new ATOM 1461 N GLY A 93 3.819 -19.837 6.883 1.00 0.00 N ATOM 1462 CA GLY A 93 4.811 -18.818 6.594 1.00 0.00 C ATOM 1463 C GLY A 93 5.387 -18.195 7.850 1.00 0.00 C ATOM 1464 O GLY A 93 5.676 -18.894 8.822 1.00 0.00 O ATOM 0 H GLY A 93 2.895 -19.479 7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.618 -19.257 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.359 -18.039 5.981 1.00 0.00 H new ATOM 1468 N VAL A 94 5.555 -16.877 7.832 1.00 0.00 N ATOM 1469 CA VAL A 94 6.101 -16.160 8.979 1.00 0.00 C ATOM 1470 C VAL A 94 5.594 -14.723 9.020 1.00 0.00 C ATOM 1471 O VAL A 94 4.849 -14.291 8.140 1.00 0.00 O ATOM 1472 CB VAL A 94 7.641 -16.149 8.952 1.00 0.00 C ATOM 1473 CG1 VAL A 94 8.191 -17.528 9.285 1.00 0.00 C ATOM 1474 CG2 VAL A 94 8.147 -15.677 7.598 1.00 0.00 C ATOM 0 H VAL A 94 5.321 -16.284 7.036 1.00 0.00 H new ATOM 0 HA VAL A 94 5.764 -16.687 9.872 1.00 0.00 H new ATOM 0 HB VAL A 94 7.995 -15.450 9.710 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.280 -17.501 9.261 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.857 -17.822 10.280 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.830 -18.250 8.553 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.237 -15.676 7.597 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.784 -16.349 6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.783 -14.668 7.405 1.00 0.00 H new ATOM 1484 N TYR A 95 6.003 -13.987 10.048 1.00 0.00 N ATOM 1485 CA TYR A 95 5.589 -12.598 10.206 1.00 0.00 C ATOM 1486 C TYR A 95 6.417 -11.678 9.314 1.00 0.00 C ATOM 1487 O TYR A 95 7.439 -12.085 8.765 1.00 0.00 O ATOM 1488 CB TYR A 95 5.723 -12.167 11.667 1.00 0.00 C ATOM 1489 CG TYR A 95 7.095 -12.421 12.250 1.00 0.00 C ATOM 1490 CD1 TYR A 95 8.190 -11.662 11.855 1.00 0.00 C ATOM 1491 CD2 TYR A 95 7.296 -13.420 13.194 1.00 0.00 C ATOM 1492 CE1 TYR A 95 9.446 -11.891 12.384 1.00 0.00 C ATOM 1493 CE2 TYR A 95 8.548 -13.655 13.729 1.00 0.00 C ATOM 1494 CZ TYR A 95 9.619 -12.888 13.321 1.00 0.00 C ATOM 1495 OH TYR A 95 10.868 -13.120 13.851 1.00 0.00 O ATOM 0 H TYR A 95 6.621 -14.329 10.784 1.00 0.00 H new ATOM 0 HA TYR A 95 4.544 -12.520 9.906 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.495 -11.104 11.746 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.980 -12.697 12.263 1.00 0.00 H new ATOM 0 HD1 TYR A 95 8.057 -10.880 11.122 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.460 -14.023 13.515 1.00 0.00 H new ATOM 0 HE1 TYR A 95 10.287 -11.293 12.066 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.687 -14.435 14.463 1.00 0.00 H new ATOM 0 HH TYR A 95 10.818 -13.855 14.497 1.00 0.00 H new TER 1505 TYR A 95