USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=19 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 89 GLN : amide:sc= -0.49 K(o=-0.53,f=-3.3!) USER MOD Set 1.2: A 90 GLN : amide:sc= -0.0356 K(o=-0.53,f=-4.1) USER MOD Set 2.1: A 51 GLN : amide:sc= -0.14 K(o=-1.1,f=-6.7!) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.975 K(o=-1.1,f=-2.8!) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 152:sc= -0.162 (180deg=-0.788) USER MOD Set 3.2: A 38 THR OG1 : rot -79:sc= -2.25 USER MOD Set 3.3: A 42 LYS NZ :NH3+ -127:sc=-0.00781 (180deg=0) USER MOD Set 4.1: A 19 ASN : amide:sc=-0.00877 K(o=0.0058,f=-1.6) USER MOD Set 4.2: A 33 LYS NZ :NH3+ -172:sc= 0.0145 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0 (180deg=-0.838) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -121:sc= -0.259 (180deg=-1.73!) USER MOD Single : A 12 THR OG1 : rot -63:sc= 0.908 USER MOD Single : A 14 ASN : amide:sc= -0.0896 X(o=-0.09,f=0) USER MOD Single : A 15 ASN : amide:sc= -1.18 K(o=-1.2,f=-4.4!) USER MOD Single : A 17 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.73) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HE2:sc= -2.02 X(o=-2,f=-1.7) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.141 USER MOD Single : A 54 SER OG : rot 49:sc= -0.419 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.2 K(o=-1.2,f=-4.9!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 70 THR OG1 : rot -46:sc= 0.788 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0056 USER MOD Single : A 75 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 78 MET CE :methyl -168:sc= -0.508 (180deg=-0.758) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -34:sc= -0.307 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.192 -14.813 0.113 1.00 0.00 N ATOM 2 CA MET A 1 6.212 -15.685 0.684 1.00 0.00 C ATOM 3 C MET A 1 7.489 -14.906 0.981 1.00 0.00 C ATOM 4 O MET A 1 7.812 -14.644 2.140 1.00 0.00 O ATOM 5 CB MET A 1 6.517 -16.842 -0.269 1.00 0.00 C ATOM 6 CG MET A 1 7.532 -17.831 0.280 1.00 0.00 C ATOM 7 SD MET A 1 6.766 -19.165 1.221 1.00 0.00 S ATOM 8 CE MET A 1 6.376 -20.322 -0.090 1.00 0.00 C ATOM 0 H1 MET A 1 4.303 -14.927 0.640 1.00 0.00 H new ATOM 0 H2 MET A 1 5.507 -13.824 0.175 1.00 0.00 H new ATOM 0 H3 MET A 1 5.038 -15.065 -0.884 1.00 0.00 H new ATOM 0 HA MET A 1 5.827 -16.088 1.621 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.591 -17.371 -0.493 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.889 -16.438 -1.211 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.103 -18.256 -0.546 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.240 -17.302 0.918 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.895 -21.204 0.334 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.702 -19.849 -0.804 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.293 -20.618 -0.599 1.00 0.00 H new ATOM 18 N ALA A 2 8.212 -14.539 -0.072 1.00 0.00 N ATOM 19 CA ALA A 2 9.453 -13.789 0.077 1.00 0.00 C ATOM 20 C ALA A 2 9.180 -12.365 0.549 1.00 0.00 C ATOM 21 O ALA A 2 8.031 -11.922 0.586 1.00 0.00 O ATOM 22 CB ALA A 2 10.221 -13.773 -1.237 1.00 0.00 C ATOM 0 H ALA A 2 7.960 -14.749 -1.038 1.00 0.00 H new ATOM 0 HA ALA A 2 10.060 -14.285 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.146 -13.210 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.456 -14.795 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.612 -13.303 -2.009 1.00 0.00 H new ATOM 28 N ASP A 3 10.241 -11.653 0.910 1.00 0.00 N ATOM 29 CA ASP A 3 10.116 -10.278 1.380 1.00 0.00 C ATOM 30 C ASP A 3 11.485 -9.615 1.494 1.00 0.00 C ATOM 31 O ASP A 3 12.410 -10.178 2.079 1.00 0.00 O ATOM 32 CB ASP A 3 9.404 -10.242 2.734 1.00 0.00 C ATOM 33 CG ASP A 3 9.329 -8.842 3.311 1.00 0.00 C ATOM 34 OD1 ASP A 3 9.218 -7.881 2.523 1.00 0.00 O ATOM 35 OD2 ASP A 3 9.382 -8.708 4.552 1.00 0.00 O ATOM 0 H ASP A 3 11.198 -12.005 0.886 1.00 0.00 H new ATOM 0 HA ASP A 3 9.524 -9.724 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.396 -10.640 2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.928 -10.893 3.434 1.00 0.00 H new ATOM 40 N GLU A 4 11.607 -8.418 0.930 1.00 0.00 N ATOM 41 CA GLU A 4 12.864 -7.681 0.967 1.00 0.00 C ATOM 42 C GLU A 4 12.733 -6.424 1.823 1.00 0.00 C ATOM 43 O GLU A 4 11.673 -6.149 2.384 1.00 0.00 O ATOM 44 CB GLU A 4 13.301 -7.302 -0.450 1.00 0.00 C ATOM 45 CG GLU A 4 13.613 -8.499 -1.331 1.00 0.00 C ATOM 46 CD GLU A 4 15.045 -8.976 -1.182 1.00 0.00 C ATOM 47 OE1 GLU A 4 15.958 -8.263 -1.648 1.00 0.00 O ATOM 48 OE2 GLU A 4 15.252 -10.061 -0.600 1.00 0.00 O ATOM 0 H GLU A 4 10.851 -7.938 0.442 1.00 0.00 H new ATOM 0 HA GLU A 4 13.621 -8.327 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.513 -6.712 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.184 -6.665 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.935 -9.315 -1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.428 -8.237 -2.373 1.00 0.00 H new ATOM 55 N LYS A 5 13.820 -5.666 1.920 1.00 0.00 N ATOM 56 CA LYS A 5 13.829 -4.438 2.706 1.00 0.00 C ATOM 57 C LYS A 5 14.508 -3.307 1.942 1.00 0.00 C ATOM 58 O LYS A 5 15.602 -2.860 2.288 1.00 0.00 O ATOM 59 CB LYS A 5 14.544 -4.668 4.040 1.00 0.00 C ATOM 60 CG LYS A 5 13.630 -5.178 5.140 1.00 0.00 C ATOM 61 CD LYS A 5 13.561 -6.696 5.149 1.00 0.00 C ATOM 62 CE LYS A 5 14.800 -7.307 5.785 1.00 0.00 C ATOM 63 NZ LYS A 5 14.719 -8.793 5.840 1.00 0.00 N ATOM 0 H LYS A 5 14.707 -5.881 1.464 1.00 0.00 H new ATOM 0 HA LYS A 5 12.795 -4.152 2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.353 -5.383 3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.001 -3.733 4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.989 -4.824 6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.629 -4.768 5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.674 -7.018 5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.457 -7.062 4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.683 -7.012 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.923 -6.912 6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.582 -9.172 6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.891 -9.075 6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.627 -9.172 4.876 1.00 0.00 H new ATOM 77 N PRO A 6 13.846 -2.830 0.877 1.00 0.00 N ATOM 78 CA PRO A 6 14.366 -1.743 0.042 1.00 0.00 C ATOM 79 C PRO A 6 14.362 -0.402 0.768 1.00 0.00 C ATOM 80 O PRO A 6 13.638 -0.216 1.747 1.00 0.00 O ATOM 81 CB PRO A 6 13.400 -1.712 -1.144 1.00 0.00 C ATOM 82 CG PRO A 6 12.132 -2.288 -0.614 1.00 0.00 C ATOM 83 CD PRO A 6 12.538 -3.315 0.406 1.00 0.00 C ATOM 0 HA PRO A 6 15.405 -1.909 -0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.252 -0.695 -1.507 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.781 -2.297 -1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.511 -1.514 -0.163 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.546 -2.742 -1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.816 -3.380 1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 6 12.613 -4.310 -0.033 1.00 0.00 H new ATOM 91 N LYS A 7 15.174 0.531 0.283 1.00 0.00 N ATOM 92 CA LYS A 7 15.264 1.856 0.884 1.00 0.00 C ATOM 93 C LYS A 7 15.265 2.941 -0.189 1.00 0.00 C ATOM 94 O LYS A 7 15.950 3.955 -0.058 1.00 0.00 O ATOM 95 CB LYS A 7 16.528 1.968 1.738 1.00 0.00 C ATOM 96 CG LYS A 7 17.803 1.629 0.984 1.00 0.00 C ATOM 97 CD LYS A 7 18.143 0.153 1.097 1.00 0.00 C ATOM 98 CE LYS A 7 19.606 -0.109 0.777 1.00 0.00 C ATOM 99 NZ LYS A 7 19.888 0.027 -0.679 1.00 0.00 N ATOM 0 H LYS A 7 15.780 0.394 -0.526 1.00 0.00 H new ATOM 0 HA LYS A 7 14.390 1.998 1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 7 16.605 2.983 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 7 16.436 1.303 2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.688 1.897 -0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.628 2.224 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.922 -0.196 2.106 1.00 0.00 H new ATOM 0 HD3 LYS A 7 17.513 -0.420 0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.230 0.589 1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.876 -1.112 1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 20.896 -0.159 -0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.311 -0.656 -1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 19.654 0.992 -0.989 1.00 0.00 H new ATOM 113 N GLU A 8 14.492 2.720 -1.248 1.00 0.00 N ATOM 114 CA GLU A 8 14.405 3.680 -2.342 1.00 0.00 C ATOM 115 C GLU A 8 12.989 4.235 -2.468 1.00 0.00 C ATOM 116 O GLU A 8 12.028 3.626 -2.000 1.00 0.00 O ATOM 117 CB GLU A 8 14.827 3.026 -3.659 1.00 0.00 C ATOM 118 CG GLU A 8 16.254 2.505 -3.651 1.00 0.00 C ATOM 119 CD GLU A 8 17.264 3.563 -4.052 1.00 0.00 C ATOM 120 OE1 GLU A 8 16.874 4.746 -4.153 1.00 0.00 O ATOM 121 OE2 GLU A 8 18.442 3.209 -4.264 1.00 0.00 O ATOM 0 H GLU A 8 13.918 1.886 -1.371 1.00 0.00 H new ATOM 0 HA GLU A 8 15.082 4.505 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.149 2.201 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.718 3.751 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.496 2.136 -2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.331 1.658 -4.332 1.00 0.00 H new ATOM 128 N GLY A 9 12.869 5.397 -3.103 1.00 0.00 N ATOM 129 CA GLY A 9 11.568 6.016 -3.278 1.00 0.00 C ATOM 130 C GLY A 9 11.609 7.519 -3.085 1.00 0.00 C ATOM 131 O GLY A 9 11.650 8.006 -1.955 1.00 0.00 O ATOM 0 H GLY A 9 13.649 5.921 -3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.194 5.791 -4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.864 5.581 -2.569 1.00 0.00 H new ATOM 135 N VAL A 10 11.601 8.256 -4.191 1.00 0.00 N ATOM 136 CA VAL A 10 11.638 9.713 -4.138 1.00 0.00 C ATOM 137 C VAL A 10 10.800 10.325 -5.255 1.00 0.00 C ATOM 138 O VAL A 10 10.425 9.644 -6.210 1.00 0.00 O ATOM 139 CB VAL A 10 13.081 10.241 -4.246 1.00 0.00 C ATOM 140 CG1 VAL A 10 13.837 10.000 -2.948 1.00 0.00 C ATOM 141 CG2 VAL A 10 13.800 9.591 -5.419 1.00 0.00 C ATOM 0 H VAL A 10 11.569 7.869 -5.134 1.00 0.00 H new ATOM 0 HA VAL A 10 11.222 10.006 -3.174 1.00 0.00 H new ATOM 0 HB VAL A 10 13.043 11.316 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.854 10.380 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.332 10.516 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.867 8.931 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.818 9.976 -5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.828 8.511 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.269 9.820 -6.343 1.00 0.00 H new ATOM 151 N LYS A 11 10.509 11.615 -5.129 1.00 0.00 N ATOM 152 CA LYS A 11 9.715 12.322 -6.128 1.00 0.00 C ATOM 153 C LYS A 11 10.413 13.604 -6.569 1.00 0.00 C ATOM 154 O LYS A 11 11.274 14.130 -5.862 1.00 0.00 O ATOM 155 CB LYS A 11 8.329 12.649 -5.570 1.00 0.00 C ATOM 156 CG LYS A 11 7.636 11.460 -4.926 1.00 0.00 C ATOM 157 CD LYS A 11 7.339 10.370 -5.942 1.00 0.00 C ATOM 158 CE LYS A 11 6.130 10.719 -6.796 1.00 0.00 C ATOM 159 NZ LYS A 11 6.514 11.477 -8.019 1.00 0.00 N ATOM 0 H LYS A 11 10.811 12.193 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 11 9.606 11.672 -6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.422 13.447 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.703 13.031 -6.376 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.265 11.057 -4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.706 11.788 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.208 10.222 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.160 9.427 -5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.612 9.804 -7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.428 11.310 -6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.030 12.398 -8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.543 11.626 -8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.237 10.937 -8.863 1.00 0.00 H new ATOM 173 N THR A 12 10.036 14.105 -7.741 1.00 0.00 N ATOM 174 CA THR A 12 10.626 15.326 -8.276 1.00 0.00 C ATOM 175 C THR A 12 9.661 16.034 -9.220 1.00 0.00 C ATOM 176 O THR A 12 9.972 16.251 -10.391 1.00 0.00 O ATOM 177 CB THR A 12 11.939 15.034 -9.026 1.00 0.00 C ATOM 178 OG1 THR A 12 12.440 16.236 -9.622 1.00 0.00 O ATOM 179 CG2 THR A 12 11.725 13.980 -10.102 1.00 0.00 C ATOM 0 H THR A 12 9.324 13.684 -8.338 1.00 0.00 H new ATOM 0 HA THR A 12 10.839 15.973 -7.425 1.00 0.00 H new ATOM 0 HB THR A 12 12.665 14.655 -8.307 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.803 16.559 -10.293 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.666 13.791 -10.618 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.371 13.057 -9.642 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.984 14.336 -10.818 1.00 0.00 H new ATOM 187 N GLU A 13 8.490 16.393 -8.703 1.00 0.00 N ATOM 188 CA GLU A 13 7.480 17.077 -9.502 1.00 0.00 C ATOM 189 C GLU A 13 6.850 18.223 -8.717 1.00 0.00 C ATOM 190 O GLU A 13 7.126 18.403 -7.531 1.00 0.00 O ATOM 191 CB GLU A 13 6.397 16.092 -9.947 1.00 0.00 C ATOM 192 CG GLU A 13 6.756 15.319 -11.205 1.00 0.00 C ATOM 193 CD GLU A 13 5.587 14.527 -11.757 1.00 0.00 C ATOM 194 OE1 GLU A 13 4.503 15.120 -11.938 1.00 0.00 O ATOM 195 OE2 GLU A 13 5.756 13.315 -12.007 1.00 0.00 O ATOM 0 H GLU A 13 8.218 16.222 -7.735 1.00 0.00 H new ATOM 0 HA GLU A 13 7.969 17.490 -10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.206 15.386 -9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.470 16.638 -10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.110 16.015 -11.966 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.580 14.639 -10.987 1.00 0.00 H new ATOM 202 N ASN A 14 6.002 18.996 -9.387 1.00 0.00 N ATOM 203 CA ASN A 14 5.332 20.126 -8.753 1.00 0.00 C ATOM 204 C ASN A 14 4.031 19.685 -8.090 1.00 0.00 C ATOM 205 O ASN A 14 2.966 20.240 -8.359 1.00 0.00 O ATOM 206 CB ASN A 14 5.047 21.221 -9.784 1.00 0.00 C ATOM 207 CG ASN A 14 6.312 21.746 -10.435 1.00 0.00 C ATOM 208 OD1 ASN A 14 6.433 21.759 -11.660 1.00 0.00 O ATOM 209 ND2 ASN A 14 7.262 22.181 -9.615 1.00 0.00 N ATOM 0 H ASN A 14 5.762 18.861 -10.369 1.00 0.00 H new ATOM 0 HA ASN A 14 5.994 20.524 -7.984 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.382 20.828 -10.553 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.522 22.045 -9.300 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.136 22.545 -9.995 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.118 22.151 -8.606 1.00 0.00 H new ATOM 216 N ASN A 15 4.126 18.684 -7.221 1.00 0.00 N ATOM 217 CA ASN A 15 2.957 18.168 -6.518 1.00 0.00 C ATOM 218 C ASN A 15 3.335 17.667 -5.127 1.00 0.00 C ATOM 219 O ASN A 15 4.491 17.763 -4.715 1.00 0.00 O ATOM 220 CB ASN A 15 2.311 17.037 -7.322 1.00 0.00 C ATOM 221 CG ASN A 15 3.285 15.916 -7.627 1.00 0.00 C ATOM 222 OD1 ASN A 15 4.447 15.960 -7.222 1.00 0.00 O ATOM 223 ND2 ASN A 15 2.814 14.903 -8.345 1.00 0.00 N ATOM 0 H ASN A 15 5.000 18.214 -6.987 1.00 0.00 H new ATOM 0 HA ASN A 15 2.241 18.982 -6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.464 16.637 -6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.918 17.438 -8.256 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.422 14.119 -8.582 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.844 14.909 -8.660 1.00 0.00 H new ATOM 230 N ASP A 16 2.352 17.133 -4.410 1.00 0.00 N ATOM 231 CA ASP A 16 2.582 16.615 -3.066 1.00 0.00 C ATOM 232 C ASP A 16 3.275 15.258 -3.118 1.00 0.00 C ATOM 233 O ASP A 16 3.408 14.657 -4.185 1.00 0.00 O ATOM 234 CB ASP A 16 1.258 16.497 -2.310 1.00 0.00 C ATOM 235 CG ASP A 16 0.758 17.836 -1.805 1.00 0.00 C ATOM 236 OD1 ASP A 16 1.356 18.370 -0.847 1.00 0.00 O ATOM 237 OD2 ASP A 16 -0.231 18.351 -2.367 1.00 0.00 O ATOM 0 H ASP A 16 1.389 17.048 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 16 3.232 17.314 -2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.507 16.056 -2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.384 15.818 -1.467 1.00 0.00 H new ATOM 242 N HIS A 17 3.717 14.780 -1.959 1.00 0.00 N ATOM 243 CA HIS A 17 4.398 13.493 -1.872 1.00 0.00 C ATOM 244 C HIS A 17 4.384 12.966 -0.440 1.00 0.00 C ATOM 245 O HIS A 17 5.202 13.370 0.387 1.00 0.00 O ATOM 246 CB HIS A 17 5.839 13.620 -2.368 1.00 0.00 C ATOM 247 CG HIS A 17 6.562 14.806 -1.808 1.00 0.00 C ATOM 248 ND1 HIS A 17 7.449 14.720 -0.756 1.00 0.00 N ATOM 249 CD2 HIS A 17 6.527 16.112 -2.162 1.00 0.00 C ATOM 250 CE1 HIS A 17 7.927 15.921 -0.486 1.00 0.00 C ATOM 251 NE2 HIS A 17 7.383 16.784 -1.326 1.00 0.00 N ATOM 0 H HIS A 17 3.616 15.265 -1.067 1.00 0.00 H new ATOM 0 HA HIS A 17 3.865 12.784 -2.506 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.386 12.714 -2.106 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.836 13.687 -3.456 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.935 16.545 -2.955 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.641 16.158 0.289 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.569 17.787 -1.349 1.00 0.00 H new ATOM 259 N ILE A 18 3.451 12.065 -0.155 1.00 0.00 N ATOM 260 CA ILE A 18 3.332 11.484 1.177 1.00 0.00 C ATOM 261 C ILE A 18 4.083 10.159 1.268 1.00 0.00 C ATOM 262 O ILE A 18 4.746 9.744 0.319 1.00 0.00 O ATOM 263 CB ILE A 18 1.859 11.254 1.561 1.00 0.00 C ATOM 264 CG1 ILE A 18 1.298 10.041 0.815 1.00 0.00 C ATOM 265 CG2 ILE A 18 1.033 12.495 1.260 1.00 0.00 C ATOM 266 CD1 ILE A 18 -0.150 9.748 1.141 1.00 0.00 C ATOM 0 H ILE A 18 2.766 11.721 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 18 3.773 12.197 1.873 1.00 0.00 H new ATOM 0 HB ILE A 18 1.805 11.056 2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.394 10.208 -0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.901 9.165 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.006 12.317 1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.421 13.338 1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.091 12.721 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.481 8.876 0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.250 9.549 2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.764 10.608 0.873 1.00 0.00 H new ATOM 278 N ASN A 19 3.970 9.499 2.416 1.00 0.00 N ATOM 279 CA ASN A 19 4.637 8.220 2.631 1.00 0.00 C ATOM 280 C ASN A 19 3.663 7.185 3.185 1.00 0.00 C ATOM 281 O ASN A 19 2.824 7.497 4.032 1.00 0.00 O ATOM 282 CB ASN A 19 5.817 8.392 3.590 1.00 0.00 C ATOM 283 CG ASN A 19 6.985 7.491 3.236 1.00 0.00 C ATOM 284 OD1 ASN A 19 7.928 7.914 2.567 1.00 0.00 O ATOM 285 ND2 ASN A 19 6.926 6.243 3.684 1.00 0.00 N ATOM 0 H ASN A 19 3.423 9.829 3.211 1.00 0.00 H new ATOM 0 HA ASN A 19 5.008 7.865 1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.146 9.431 3.575 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.490 8.176 4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.682 5.591 3.477 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.124 5.936 4.235 1.00 0.00 H new ATOM 292 N LEU A 20 3.780 5.953 2.703 1.00 0.00 N ATOM 293 CA LEU A 20 2.910 4.871 3.150 1.00 0.00 C ATOM 294 C LEU A 20 3.678 3.556 3.237 1.00 0.00 C ATOM 295 O LEU A 20 4.713 3.384 2.592 1.00 0.00 O ATOM 296 CB LEU A 20 1.722 4.719 2.199 1.00 0.00 C ATOM 297 CG LEU A 20 0.495 5.575 2.515 1.00 0.00 C ATOM 298 CD1 LEU A 20 -0.593 5.354 1.476 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.027 5.266 3.911 1.00 0.00 C ATOM 0 H LEU A 20 4.469 5.678 2.003 1.00 0.00 H new ATOM 0 HA LEU A 20 2.541 5.122 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.057 4.959 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.418 3.672 2.194 1.00 0.00 H new ATOM 0 HG LEU A 20 0.791 6.624 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.458 5.972 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.216 5.628 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.886 4.304 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.900 5.885 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.305 4.214 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.750 5.478 4.645 1.00 0.00 H new ATOM 311 N LYS A 21 3.164 2.628 4.037 1.00 0.00 N ATOM 312 CA LYS A 21 3.798 1.326 4.207 1.00 0.00 C ATOM 313 C LYS A 21 2.757 0.211 4.222 1.00 0.00 C ATOM 314 O LYS A 21 1.945 0.119 5.143 1.00 0.00 O ATOM 315 CB LYS A 21 4.611 1.297 5.503 1.00 0.00 C ATOM 316 CG LYS A 21 5.648 2.403 5.596 1.00 0.00 C ATOM 317 CD LYS A 21 6.631 2.153 6.728 1.00 0.00 C ATOM 318 CE LYS A 21 7.588 3.322 6.904 1.00 0.00 C ATOM 319 NZ LYS A 21 8.030 3.468 8.318 1.00 0.00 N ATOM 0 H LYS A 21 2.309 2.754 4.579 1.00 0.00 H new ATOM 0 HA LYS A 21 4.467 1.163 3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.930 1.376 6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.112 0.333 5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.189 2.476 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.148 3.359 5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.084 1.986 7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.198 1.245 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.459 3.178 6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.102 4.242 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.681 4.275 8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.202 3.631 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.517 2.600 8.621 1.00 0.00 H new ATOM 333 N VAL A 22 2.788 -0.635 3.197 1.00 0.00 N ATOM 334 CA VAL A 22 1.848 -1.745 3.095 1.00 0.00 C ATOM 335 C VAL A 22 2.460 -3.034 3.633 1.00 0.00 C ATOM 336 O VAL A 22 3.000 -3.840 2.876 1.00 0.00 O ATOM 337 CB VAL A 22 1.403 -1.970 1.637 1.00 0.00 C ATOM 338 CG1 VAL A 22 0.184 -2.878 1.586 1.00 0.00 C ATOM 339 CG2 VAL A 22 1.117 -0.640 0.957 1.00 0.00 C ATOM 0 H VAL A 22 3.453 -0.573 2.426 1.00 0.00 H new ATOM 0 HA VAL A 22 0.978 -1.481 3.696 1.00 0.00 H new ATOM 0 HB VAL A 22 2.214 -2.460 1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.116 -3.026 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.429 -3.841 2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.635 -2.419 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.804 -0.817 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.323 -0.120 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.019 -0.028 0.961 1.00 0.00 H new ATOM 349 N ALA A 23 2.370 -3.221 4.945 1.00 0.00 N ATOM 350 CA ALA A 23 2.912 -4.414 5.585 1.00 0.00 C ATOM 351 C ALA A 23 1.796 -5.323 6.087 1.00 0.00 C ATOM 352 O ALA A 23 0.926 -4.895 6.844 1.00 0.00 O ATOM 353 CB ALA A 23 3.834 -4.025 6.732 1.00 0.00 C ATOM 0 H ALA A 23 1.927 -2.562 5.586 1.00 0.00 H new ATOM 0 HA ALA A 23 3.487 -4.965 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.231 -4.925 7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.657 -3.422 6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.275 -3.449 7.469 1.00 0.00 H new ATOM 359 N GLY A 24 1.827 -6.582 5.658 1.00 0.00 N ATOM 360 CA GLY A 24 0.811 -7.532 6.074 1.00 0.00 C ATOM 361 C GLY A 24 0.985 -7.974 7.513 1.00 0.00 C ATOM 362 O GLY A 24 2.107 -8.194 7.970 1.00 0.00 O ATOM 0 H GLY A 24 2.537 -6.960 5.031 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.174 -7.082 5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.846 -8.405 5.422 1.00 0.00 H new ATOM 366 N GLN A 25 -0.127 -8.102 8.230 1.00 0.00 N ATOM 367 CA GLN A 25 -0.091 -8.518 9.627 1.00 0.00 C ATOM 368 C GLN A 25 0.554 -9.893 9.769 1.00 0.00 C ATOM 369 O GLN A 25 1.007 -10.268 10.850 1.00 0.00 O ATOM 370 CB GLN A 25 -1.505 -8.542 10.210 1.00 0.00 C ATOM 371 CG GLN A 25 -1.587 -9.194 11.581 1.00 0.00 C ATOM 372 CD GLN A 25 -2.869 -8.852 12.314 1.00 0.00 C ATOM 373 OE1 GLN A 25 -3.257 -7.687 12.399 1.00 0.00 O ATOM 374 NE2 GLN A 25 -3.535 -9.869 12.849 1.00 0.00 N ATOM 0 H GLN A 25 -1.063 -7.924 7.867 1.00 0.00 H new ATOM 0 HA GLN A 25 0.510 -7.796 10.180 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.878 -7.520 10.280 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.163 -9.075 9.524 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.514 -10.276 11.470 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.734 -8.877 12.181 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.177 -10.819 12.754 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.405 -9.700 13.354 1.00 0.00 H new ATOM 383 N ASP A 26 0.591 -10.640 8.671 1.00 0.00 N ATOM 384 CA ASP A 26 1.181 -11.973 8.673 1.00 0.00 C ATOM 385 C ASP A 26 2.702 -11.894 8.592 1.00 0.00 C ATOM 386 O ASP A 26 3.400 -12.138 9.575 1.00 0.00 O ATOM 387 CB ASP A 26 0.637 -12.797 7.504 1.00 0.00 C ATOM 388 CG ASP A 26 -0.710 -13.419 7.811 1.00 0.00 C ATOM 389 OD1 ASP A 26 -1.607 -12.690 8.285 1.00 0.00 O ATOM 390 OD2 ASP A 26 -0.869 -14.635 7.577 1.00 0.00 O ATOM 0 H ASP A 26 0.219 -10.345 7.768 1.00 0.00 H new ATOM 0 HA ASP A 26 0.910 -12.462 9.609 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.547 -12.159 6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.349 -13.584 7.256 1.00 0.00 H new ATOM 395 N GLY A 27 3.210 -11.553 7.411 1.00 0.00 N ATOM 396 CA GLY A 27 4.645 -11.449 7.223 1.00 0.00 C ATOM 397 C GLY A 27 5.012 -10.722 5.945 1.00 0.00 C ATOM 398 O GLY A 27 5.775 -11.236 5.127 1.00 0.00 O ATOM 0 H GLY A 27 2.653 -11.347 6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.083 -10.926 8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.079 -12.449 7.206 1.00 0.00 H new ATOM 402 N SER A 28 4.465 -9.523 5.771 1.00 0.00 N ATOM 403 CA SER A 28 4.734 -8.726 4.580 1.00 0.00 C ATOM 404 C SER A 28 5.062 -7.283 4.954 1.00 0.00 C ATOM 405 O SER A 28 4.557 -6.757 5.945 1.00 0.00 O ATOM 406 CB SER A 28 3.531 -8.759 3.635 1.00 0.00 C ATOM 407 OG SER A 28 3.562 -7.668 2.731 1.00 0.00 O ATOM 0 H SER A 28 3.833 -9.082 6.440 1.00 0.00 H new ATOM 0 HA SER A 28 5.597 -9.157 4.073 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.527 -9.696 3.079 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.608 -8.729 4.215 1.00 0.00 H new ATOM 0 HG SER A 28 2.784 -7.713 2.137 1.00 0.00 H new ATOM 413 N VAL A 29 5.912 -6.649 4.152 1.00 0.00 N ATOM 414 CA VAL A 29 6.307 -5.267 4.397 1.00 0.00 C ATOM 415 C VAL A 29 6.660 -4.558 3.095 1.00 0.00 C ATOM 416 O VAL A 29 7.589 -4.954 2.391 1.00 0.00 O ATOM 417 CB VAL A 29 7.512 -5.189 5.354 1.00 0.00 C ATOM 418 CG1 VAL A 29 7.973 -3.749 5.516 1.00 0.00 C ATOM 419 CG2 VAL A 29 7.162 -5.801 6.702 1.00 0.00 C ATOM 0 H VAL A 29 6.340 -7.070 3.328 1.00 0.00 H new ATOM 0 HA VAL A 29 5.453 -4.771 4.858 1.00 0.00 H new ATOM 0 HB VAL A 29 8.334 -5.761 4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.825 -3.714 6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.266 -3.350 4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.159 -3.150 5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.025 -5.737 7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.325 -5.258 7.142 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.885 -6.846 6.566 1.00 0.00 H new ATOM 429 N VAL A 30 5.912 -3.505 2.780 1.00 0.00 N ATOM 430 CA VAL A 30 6.146 -2.738 1.562 1.00 0.00 C ATOM 431 C VAL A 30 6.125 -1.240 1.844 1.00 0.00 C ATOM 432 O VAL A 30 5.493 -0.787 2.798 1.00 0.00 O ATOM 433 CB VAL A 30 5.095 -3.061 0.484 1.00 0.00 C ATOM 434 CG1 VAL A 30 5.513 -2.485 -0.860 1.00 0.00 C ATOM 435 CG2 VAL A 30 4.879 -4.564 0.385 1.00 0.00 C ATOM 0 H VAL A 30 5.139 -3.164 3.351 1.00 0.00 H new ATOM 0 HA VAL A 30 7.132 -3.022 1.194 1.00 0.00 H new ATOM 0 HB VAL A 30 4.151 -2.599 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.758 -2.724 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.612 -1.403 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.469 -2.915 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.133 -4.775 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.818 -5.050 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.531 -4.946 1.345 1.00 0.00 H new ATOM 445 N GLN A 31 6.819 -0.476 1.006 1.00 0.00 N ATOM 446 CA GLN A 31 6.879 0.973 1.166 1.00 0.00 C ATOM 447 C GLN A 31 6.779 1.674 -0.185 1.00 0.00 C ATOM 448 O GLN A 31 7.254 1.162 -1.198 1.00 0.00 O ATOM 449 CB GLN A 31 8.177 1.376 1.868 1.00 0.00 C ATOM 450 CG GLN A 31 9.378 0.544 1.450 1.00 0.00 C ATOM 451 CD GLN A 31 9.723 -0.533 2.460 1.00 0.00 C ATOM 452 OE1 GLN A 31 10.216 -0.243 3.550 1.00 0.00 O ATOM 453 NE2 GLN A 31 9.465 -1.785 2.101 1.00 0.00 N ATOM 0 H GLN A 31 7.347 -0.835 0.211 1.00 0.00 H new ATOM 0 HA GLN A 31 6.032 1.281 1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.382 2.426 1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.041 1.286 2.946 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.175 0.080 0.485 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.239 1.199 1.314 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.056 -1.979 1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.676 -2.552 2.739 1.00 0.00 H new ATOM 462 N PHE A 32 6.157 2.848 -0.191 1.00 0.00 N ATOM 463 CA PHE A 32 5.993 3.619 -1.418 1.00 0.00 C ATOM 464 C PHE A 32 5.947 5.115 -1.118 1.00 0.00 C ATOM 465 O PHE A 32 5.837 5.525 0.037 1.00 0.00 O ATOM 466 CB PHE A 32 4.716 3.194 -2.146 1.00 0.00 C ATOM 467 CG PHE A 32 4.975 2.424 -3.410 1.00 0.00 C ATOM 468 CD1 PHE A 32 5.134 3.083 -4.618 1.00 0.00 C ATOM 469 CD2 PHE A 32 5.059 1.041 -3.389 1.00 0.00 C ATOM 470 CE1 PHE A 32 5.373 2.378 -5.783 1.00 0.00 C ATOM 471 CE2 PHE A 32 5.298 0.331 -4.550 1.00 0.00 C ATOM 472 CZ PHE A 32 5.453 0.999 -5.749 1.00 0.00 C ATOM 0 H PHE A 32 5.758 3.286 0.639 1.00 0.00 H new ATOM 0 HA PHE A 32 6.852 3.421 -2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.111 2.584 -1.476 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.130 4.082 -2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.070 4.161 -4.650 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.936 0.512 -2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.497 2.904 -6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.364 -0.747 -4.520 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.636 0.445 -6.658 1.00 0.00 H new ATOM 482 N LYS A 33 6.032 5.925 -2.168 1.00 0.00 N ATOM 483 CA LYS A 33 6.000 7.376 -2.020 1.00 0.00 C ATOM 484 C LYS A 33 5.321 8.030 -3.219 1.00 0.00 C ATOM 485 O LYS A 33 5.773 7.885 -4.355 1.00 0.00 O ATOM 486 CB LYS A 33 7.420 7.925 -1.862 1.00 0.00 C ATOM 487 CG LYS A 33 7.471 9.429 -1.661 1.00 0.00 C ATOM 488 CD LYS A 33 7.600 9.792 -0.191 1.00 0.00 C ATOM 489 CE LYS A 33 9.054 9.989 0.209 1.00 0.00 C ATOM 490 NZ LYS A 33 9.180 10.677 1.524 1.00 0.00 N ATOM 0 H LYS A 33 6.124 5.601 -3.131 1.00 0.00 H new ATOM 0 HA LYS A 33 5.424 7.612 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.897 7.437 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.002 7.665 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.315 9.842 -2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.568 9.882 -2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.039 10.705 0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.157 9.005 0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.552 9.020 0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.565 10.573 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.178 10.914 1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.614 11.549 1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.837 10.049 2.279 1.00 0.00 H new ATOM 504 N ILE A 34 4.236 8.750 -2.958 1.00 0.00 N ATOM 505 CA ILE A 34 3.497 9.428 -4.016 1.00 0.00 C ATOM 506 C ILE A 34 2.626 10.545 -3.450 1.00 0.00 C ATOM 507 O ILE A 34 2.392 10.614 -2.243 1.00 0.00 O ATOM 508 CB ILE A 34 2.607 8.446 -4.800 1.00 0.00 C ATOM 509 CG1 ILE A 34 2.315 8.993 -6.199 1.00 0.00 C ATOM 510 CG2 ILE A 34 1.311 8.188 -4.046 1.00 0.00 C ATOM 511 CD1 ILE A 34 1.949 7.922 -7.202 1.00 0.00 C ATOM 0 H ILE A 34 3.849 8.879 -2.023 1.00 0.00 H new ATOM 0 HA ILE A 34 4.237 9.855 -4.693 1.00 0.00 H new ATOM 0 HB ILE A 34 3.139 7.500 -4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.500 9.714 -6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.191 9.533 -6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.693 7.492 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.537 7.760 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.773 9.127 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.755 8.382 -8.171 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.772 7.214 -7.295 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.055 7.397 -6.864 1.00 0.00 H new ATOM 523 N LYS A 35 2.147 11.418 -4.329 1.00 0.00 N ATOM 524 CA LYS A 35 1.299 12.531 -3.920 1.00 0.00 C ATOM 525 C LYS A 35 0.112 12.037 -3.099 1.00 0.00 C ATOM 526 O LYS A 35 -0.111 10.833 -2.976 1.00 0.00 O ATOM 527 CB LYS A 35 0.800 13.298 -5.147 1.00 0.00 C ATOM 528 CG LYS A 35 0.162 12.410 -6.201 1.00 0.00 C ATOM 529 CD LYS A 35 0.722 12.695 -7.584 1.00 0.00 C ATOM 530 CE LYS A 35 0.029 11.860 -8.649 1.00 0.00 C ATOM 531 NZ LYS A 35 0.887 10.737 -9.119 1.00 0.00 N ATOM 0 H LYS A 35 2.332 11.376 -5.331 1.00 0.00 H new ATOM 0 HA LYS A 35 1.895 13.200 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.075 14.046 -4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.636 13.835 -5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.332 11.364 -5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.917 12.566 -6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.602 13.753 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.792 12.485 -7.595 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.903 11.462 -8.249 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.233 12.495 -9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.286 9.954 -9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.486 11.063 -9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.489 10.409 -8.337 1.00 0.00 H new ATOM 545 N ARG A 36 -0.646 12.974 -2.539 1.00 0.00 N ATOM 546 CA ARG A 36 -1.810 12.634 -1.730 1.00 0.00 C ATOM 547 C ARG A 36 -3.067 12.558 -2.592 1.00 0.00 C ATOM 548 O ARG A 36 -4.153 12.252 -2.098 1.00 0.00 O ATOM 549 CB ARG A 36 -2.003 13.664 -0.617 1.00 0.00 C ATOM 550 CG ARG A 36 -2.222 15.079 -1.127 1.00 0.00 C ATOM 551 CD ARG A 36 -3.702 15.418 -1.211 1.00 0.00 C ATOM 552 NE ARG A 36 -4.123 16.303 -0.128 1.00 0.00 N ATOM 553 CZ ARG A 36 -5.240 17.021 -0.157 1.00 0.00 C ATOM 554 NH1 ARG A 36 -6.045 16.957 -1.209 1.00 0.00 N ATOM 555 NH2 ARG A 36 -5.555 17.804 0.867 1.00 0.00 N ATOM 0 H ARG A 36 -0.475 13.975 -2.631 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.637 11.655 -1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.857 13.371 -0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.128 13.653 0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.722 15.787 -0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.766 15.187 -2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.911 15.893 -2.169 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.287 14.499 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.526 16.374 0.696 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.807 16.356 -1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.902 17.509 -1.229 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.939 17.855 1.678 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.413 18.355 0.843 1.00 0.00 H new ATOM 569 N HIS A 37 -2.912 12.840 -3.882 1.00 0.00 N ATOM 570 CA HIS A 37 -4.035 12.804 -4.812 1.00 0.00 C ATOM 571 C HIS A 37 -3.823 11.734 -5.878 1.00 0.00 C ATOM 572 O HIS A 37 -4.142 11.937 -7.050 1.00 0.00 O ATOM 573 CB HIS A 37 -4.220 14.170 -5.474 1.00 0.00 C ATOM 574 CG HIS A 37 -2.942 14.775 -5.967 1.00 0.00 C ATOM 575 ND1 HIS A 37 -2.209 15.686 -5.235 1.00 0.00 N ATOM 576 CD2 HIS A 37 -2.265 14.594 -7.125 1.00 0.00 C ATOM 577 CE1 HIS A 37 -1.138 16.040 -5.922 1.00 0.00 C ATOM 578 NE2 HIS A 37 -1.148 15.391 -7.073 1.00 0.00 N ATOM 0 H HIS A 37 -2.020 13.096 -4.307 1.00 0.00 H new ATOM 0 HA HIS A 37 -4.934 12.557 -4.248 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -4.911 14.068 -6.311 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.683 14.851 -4.760 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -2.456 16.032 -4.308 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.550 13.944 -7.939 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.383 16.741 -5.598 1.00 0.00 H new ATOM 586 N THR A 38 -3.282 10.592 -5.464 1.00 0.00 N ATOM 587 CA THR A 38 -3.026 9.490 -6.383 1.00 0.00 C ATOM 588 C THR A 38 -4.077 8.396 -6.236 1.00 0.00 C ATOM 589 O THR A 38 -4.451 8.006 -5.130 1.00 0.00 O ATOM 590 CB THR A 38 -1.630 8.881 -6.154 1.00 0.00 C ATOM 591 OG1 THR A 38 -0.656 9.578 -6.937 1.00 0.00 O ATOM 592 CG2 THR A 38 -1.618 7.404 -6.518 1.00 0.00 C ATOM 0 H THR A 38 -3.013 10.406 -4.498 1.00 0.00 H new ATOM 0 HA THR A 38 -3.073 9.901 -7.391 1.00 0.00 H new ATOM 0 HB THR A 38 -1.384 8.981 -5.097 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.697 9.265 -7.865 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.622 6.995 -6.348 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.339 6.871 -5.899 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.884 7.286 -7.568 1.00 0.00 H new ATOM 600 N PRO A 39 -4.565 7.886 -7.376 1.00 0.00 N ATOM 601 CA PRO A 39 -5.579 6.827 -7.400 1.00 0.00 C ATOM 602 C PRO A 39 -5.030 5.488 -6.922 1.00 0.00 C ATOM 603 O PRO A 39 -4.106 4.934 -7.520 1.00 0.00 O ATOM 604 CB PRO A 39 -5.973 6.747 -8.877 1.00 0.00 C ATOM 605 CG PRO A 39 -4.783 7.256 -9.615 1.00 0.00 C ATOM 606 CD PRO A 39 -4.164 8.303 -8.731 1.00 0.00 C ATOM 0 HA PRO A 39 -6.413 7.046 -6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.212 5.724 -9.168 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.856 7.352 -9.084 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.077 6.451 -9.820 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.072 7.679 -10.577 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.080 8.330 -8.839 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.533 9.300 -8.970 1.00 0.00 H new ATOM 614 N LEU A 40 -5.603 4.971 -5.840 1.00 0.00 N ATOM 615 CA LEU A 40 -5.171 3.695 -5.281 1.00 0.00 C ATOM 616 C LEU A 40 -5.147 2.611 -6.354 1.00 0.00 C ATOM 617 O LEU A 40 -4.433 1.616 -6.229 1.00 0.00 O ATOM 618 CB LEU A 40 -6.097 3.277 -4.138 1.00 0.00 C ATOM 619 CG LEU A 40 -5.806 3.905 -2.774 1.00 0.00 C ATOM 620 CD1 LEU A 40 -6.871 3.507 -1.765 1.00 0.00 C ATOM 621 CD2 LEU A 40 -4.425 3.496 -2.283 1.00 0.00 C ATOM 0 H LEU A 40 -6.368 5.416 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.160 3.820 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.121 3.524 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.047 2.193 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.825 4.989 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.647 3.963 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.846 3.850 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.884 2.422 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.235 3.952 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.378 2.411 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.671 3.832 -2.995 1.00 0.00 H new ATOM 633 N SER A 41 -5.931 2.811 -7.408 1.00 0.00 N ATOM 634 CA SER A 41 -6.002 1.850 -8.503 1.00 0.00 C ATOM 635 C SER A 41 -4.604 1.435 -8.952 1.00 0.00 C ATOM 636 O SER A 41 -4.251 0.256 -8.915 1.00 0.00 O ATOM 637 CB SER A 41 -6.773 2.444 -9.683 1.00 0.00 C ATOM 638 OG SER A 41 -7.399 1.428 -10.446 1.00 0.00 O ATOM 0 H SER A 41 -6.527 3.630 -7.527 1.00 0.00 H new ATOM 0 HA SER A 41 -6.528 0.965 -8.144 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.525 3.143 -9.316 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.092 3.012 -10.317 1.00 0.00 H new ATOM 0 HG SER A 41 -7.887 1.833 -11.193 1.00 0.00 H new ATOM 644 N LYS A 42 -3.811 2.413 -9.376 1.00 0.00 N ATOM 645 CA LYS A 42 -2.451 2.153 -9.832 1.00 0.00 C ATOM 646 C LYS A 42 -1.681 1.329 -8.805 1.00 0.00 C ATOM 647 O LYS A 42 -0.787 0.558 -9.156 1.00 0.00 O ATOM 648 CB LYS A 42 -1.718 3.470 -10.097 1.00 0.00 C ATOM 649 CG LYS A 42 -1.179 4.130 -8.839 1.00 0.00 C ATOM 650 CD LYS A 42 -0.406 5.398 -9.162 1.00 0.00 C ATOM 651 CE LYS A 42 -1.269 6.400 -9.914 1.00 0.00 C ATOM 652 NZ LYS A 42 -0.547 7.679 -10.158 1.00 0.00 N ATOM 0 H LYS A 42 -4.087 3.394 -9.413 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.509 1.584 -10.760 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.891 3.284 -10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.398 4.160 -10.597 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.005 4.367 -8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.530 3.432 -8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.043 5.849 -8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.470 5.149 -9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.579 5.970 -10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.177 6.598 -9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.121 8.473 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.364 7.664 -9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.379 7.794 -11.178 1.00 0.00 H new ATOM 666 N LEU A 43 -2.034 1.495 -7.535 1.00 0.00 N ATOM 667 CA LEU A 43 -1.378 0.765 -6.456 1.00 0.00 C ATOM 668 C LEU A 43 -1.828 -0.692 -6.432 1.00 0.00 C ATOM 669 O LEU A 43 -1.026 -1.603 -6.633 1.00 0.00 O ATOM 670 CB LEU A 43 -1.678 1.426 -5.110 1.00 0.00 C ATOM 671 CG LEU A 43 -0.577 1.328 -4.053 1.00 0.00 C ATOM 672 CD1 LEU A 43 -0.143 -0.117 -3.868 1.00 0.00 C ATOM 673 CD2 LEU A 43 0.610 2.199 -4.438 1.00 0.00 C ATOM 0 H LEU A 43 -2.771 2.129 -7.227 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.303 0.791 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.892 2.480 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.585 0.980 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.975 1.690 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.641 -0.168 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.996 -0.715 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.238 -0.506 -4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.384 2.117 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.009 1.867 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.288 3.237 -4.519 1.00 0.00 H new ATOM 685 N MET A 44 -3.117 -0.904 -6.185 1.00 0.00 N ATOM 686 CA MET A 44 -3.674 -2.251 -6.138 1.00 0.00 C ATOM 687 C MET A 44 -3.340 -3.022 -7.411 1.00 0.00 C ATOM 688 O MET A 44 -2.899 -4.170 -7.356 1.00 0.00 O ATOM 689 CB MET A 44 -5.191 -2.192 -5.947 1.00 0.00 C ATOM 690 CG MET A 44 -5.896 -1.299 -6.955 1.00 0.00 C ATOM 691 SD MET A 44 -7.632 -1.029 -6.548 1.00 0.00 S ATOM 692 CE MET A 44 -8.428 -2.128 -7.717 1.00 0.00 C ATOM 0 H MET A 44 -3.795 -0.161 -6.014 1.00 0.00 H new ATOM 0 HA MET A 44 -3.228 -2.772 -5.291 1.00 0.00 H new ATOM 0 HB2 MET A 44 -5.598 -3.201 -6.020 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.409 -1.833 -4.941 1.00 0.00 H new ATOM 0 HG2 MET A 44 -5.384 -0.338 -7.004 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.825 -1.748 -7.945 1.00 0.00 H new ATOM 0 HE1 MET A 44 -9.509 -2.073 -7.590 1.00 0.00 H new ATOM 0 HE2 MET A 44 -8.167 -1.830 -8.732 1.00 0.00 H new ATOM 0 HE3 MET A 44 -8.093 -3.150 -7.541 1.00 0.00 H new ATOM 702 N LYS A 45 -3.554 -2.384 -8.557 1.00 0.00 N ATOM 703 CA LYS A 45 -3.275 -3.009 -9.845 1.00 0.00 C ATOM 704 C LYS A 45 -1.865 -3.590 -9.874 1.00 0.00 C ATOM 705 O LYS A 45 -1.677 -4.774 -10.154 1.00 0.00 O ATOM 706 CB LYS A 45 -3.442 -1.992 -10.976 1.00 0.00 C ATOM 707 CG LYS A 45 -3.442 -2.616 -12.360 1.00 0.00 C ATOM 708 CD LYS A 45 -4.779 -3.263 -12.681 1.00 0.00 C ATOM 709 CE LYS A 45 -5.040 -3.291 -14.179 1.00 0.00 C ATOM 710 NZ LYS A 45 -6.425 -3.741 -14.492 1.00 0.00 N ATOM 0 H LYS A 45 -3.920 -1.434 -8.620 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.987 -3.822 -9.988 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.377 -1.450 -10.831 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.637 -1.260 -10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.219 -1.852 -13.104 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.651 -3.363 -12.423 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.796 -4.280 -12.289 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.578 -2.716 -12.182 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.879 -2.296 -14.594 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.324 -3.957 -14.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.564 -3.747 -15.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.571 -4.700 -14.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.109 -3.091 -14.054 1.00 0.00 H new ATOM 724 N ALA A 46 -0.878 -2.751 -9.580 1.00 0.00 N ATOM 725 CA ALA A 46 0.514 -3.182 -9.569 1.00 0.00 C ATOM 726 C ALA A 46 0.735 -4.299 -8.554 1.00 0.00 C ATOM 727 O ALA A 46 1.534 -5.207 -8.779 1.00 0.00 O ATOM 728 CB ALA A 46 1.430 -2.005 -9.269 1.00 0.00 C ATOM 0 H ALA A 46 -1.017 -1.768 -9.346 1.00 0.00 H new ATOM 0 HA ALA A 46 0.755 -3.572 -10.558 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.466 -2.343 -9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.301 -1.239 -10.034 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.180 -1.588 -8.293 1.00 0.00 H new ATOM 734 N TYR A 47 0.022 -4.224 -7.435 1.00 0.00 N ATOM 735 CA TYR A 47 0.142 -5.227 -6.384 1.00 0.00 C ATOM 736 C TYR A 47 0.003 -6.635 -6.955 1.00 0.00 C ATOM 737 O TYR A 47 0.946 -7.426 -6.924 1.00 0.00 O ATOM 738 CB TYR A 47 -0.917 -4.995 -5.305 1.00 0.00 C ATOM 739 CG TYR A 47 -0.440 -5.322 -3.908 1.00 0.00 C ATOM 740 CD1 TYR A 47 0.315 -6.461 -3.659 1.00 0.00 C ATOM 741 CD2 TYR A 47 -0.745 -4.491 -2.837 1.00 0.00 C ATOM 742 CE1 TYR A 47 0.752 -6.764 -2.384 1.00 0.00 C ATOM 743 CE2 TYR A 47 -0.311 -4.785 -1.559 1.00 0.00 C ATOM 744 CZ TYR A 47 0.437 -5.923 -1.337 1.00 0.00 C ATOM 745 OH TYR A 47 0.871 -6.220 -0.066 1.00 0.00 O ATOM 0 H TYR A 47 -0.645 -3.479 -7.233 1.00 0.00 H new ATOM 0 HA TYR A 47 1.132 -5.132 -5.938 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.234 -3.953 -5.337 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.794 -5.602 -5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.565 -7.121 -4.476 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.331 -3.600 -3.007 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.337 -7.655 -2.208 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.556 -4.128 -0.738 1.00 0.00 H new ATOM 0 HH TYR A 47 0.565 -5.526 0.555 1.00 0.00 H new ATOM 755 N CYS A 48 -1.180 -6.940 -7.477 1.00 0.00 N ATOM 756 CA CYS A 48 -1.445 -8.252 -8.056 1.00 0.00 C ATOM 757 C CYS A 48 -0.360 -8.634 -9.057 1.00 0.00 C ATOM 758 O CYS A 48 0.128 -9.763 -9.056 1.00 0.00 O ATOM 759 CB CYS A 48 -2.814 -8.264 -8.739 1.00 0.00 C ATOM 760 SG CYS A 48 -3.638 -9.873 -8.711 1.00 0.00 S ATOM 0 H CYS A 48 -1.971 -6.297 -7.511 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.443 -8.985 -7.249 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.457 -7.530 -8.253 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.694 -7.947 -9.775 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.788 -9.782 -9.310 1.00 0.00 H new ATOM 766 N GLU A 49 0.011 -7.684 -9.911 1.00 0.00 N ATOM 767 CA GLU A 49 1.036 -7.923 -10.919 1.00 0.00 C ATOM 768 C GLU A 49 2.287 -8.529 -10.290 1.00 0.00 C ATOM 769 O GLU A 49 2.979 -9.336 -10.911 1.00 0.00 O ATOM 770 CB GLU A 49 1.393 -6.618 -11.634 1.00 0.00 C ATOM 771 CG GLU A 49 2.105 -6.826 -12.961 1.00 0.00 C ATOM 772 CD GLU A 49 1.329 -7.725 -13.904 1.00 0.00 C ATOM 773 OE1 GLU A 49 0.443 -7.212 -14.619 1.00 0.00 O ATOM 774 OE2 GLU A 49 1.609 -8.942 -13.928 1.00 0.00 O ATOM 0 H GLU A 49 -0.383 -6.743 -9.924 1.00 0.00 H new ATOM 0 HA GLU A 49 0.637 -8.630 -11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.481 -6.047 -11.806 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.027 -6.018 -10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.267 -5.859 -13.438 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.088 -7.260 -12.778 1.00 0.00 H new ATOM 781 N ARG A 50 2.571 -8.134 -9.053 1.00 0.00 N ATOM 782 CA ARG A 50 3.739 -8.637 -8.340 1.00 0.00 C ATOM 783 C ARG A 50 3.461 -10.013 -7.743 1.00 0.00 C ATOM 784 O ARG A 50 3.959 -11.025 -8.236 1.00 0.00 O ATOM 785 CB ARG A 50 4.146 -7.662 -7.233 1.00 0.00 C ATOM 786 CG ARG A 50 5.368 -8.108 -6.447 1.00 0.00 C ATOM 787 CD ARG A 50 5.446 -7.413 -5.097 1.00 0.00 C ATOM 788 NE ARG A 50 5.886 -6.026 -5.220 1.00 0.00 N ATOM 789 CZ ARG A 50 7.141 -5.672 -5.474 1.00 0.00 C ATOM 790 NH1 ARG A 50 8.076 -6.600 -5.631 1.00 0.00 N ATOM 791 NH2 ARG A 50 7.464 -4.389 -5.572 1.00 0.00 N ATOM 0 H ARG A 50 2.008 -7.467 -8.524 1.00 0.00 H new ATOM 0 HA ARG A 50 4.558 -8.728 -9.054 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.346 -6.686 -7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.309 -7.536 -6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.333 -9.188 -6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.269 -7.893 -7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.468 -7.442 -4.617 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.134 -7.956 -4.449 1.00 0.00 H new ATOM 0 HE ARG A 50 5.191 -5.288 -5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.832 -7.588 -5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.039 -6.326 -5.826 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.748 -3.672 -5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.428 -4.119 -5.767 1.00 0.00 H new ATOM 805 N GLN A 51 2.664 -10.042 -6.680 1.00 0.00 N ATOM 806 CA GLN A 51 2.322 -11.294 -6.016 1.00 0.00 C ATOM 807 C GLN A 51 0.813 -11.515 -6.016 1.00 0.00 C ATOM 808 O GLN A 51 0.166 -11.453 -4.971 1.00 0.00 O ATOM 809 CB GLN A 51 2.849 -11.295 -4.580 1.00 0.00 C ATOM 810 CG GLN A 51 2.580 -9.999 -3.832 1.00 0.00 C ATOM 811 CD GLN A 51 3.018 -10.061 -2.382 1.00 0.00 C ATOM 812 OE1 GLN A 51 2.266 -9.695 -1.478 1.00 0.00 O ATOM 813 NE2 GLN A 51 4.240 -10.526 -2.152 1.00 0.00 N ATOM 0 H GLN A 51 2.243 -9.213 -6.260 1.00 0.00 H new ATOM 0 HA GLN A 51 2.791 -12.109 -6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.392 -12.121 -4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.923 -11.479 -4.596 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.101 -9.181 -4.330 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.515 -9.773 -3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.829 -10.818 -2.931 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.589 -10.591 -1.196 1.00 0.00 H new ATOM 822 N GLY A 52 0.257 -11.773 -7.196 1.00 0.00 N ATOM 823 CA GLY A 52 -1.172 -11.999 -7.310 1.00 0.00 C ATOM 824 C GLY A 52 -1.555 -13.439 -7.029 1.00 0.00 C ATOM 825 O GLY A 52 -1.953 -14.172 -7.935 1.00 0.00 O ATOM 0 H GLY A 52 0.771 -11.830 -8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.697 -11.344 -6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.501 -11.728 -8.313 1.00 0.00 H new ATOM 829 N LEU A 53 -1.435 -13.846 -5.770 1.00 0.00 N ATOM 830 CA LEU A 53 -1.771 -15.208 -5.371 1.00 0.00 C ATOM 831 C LEU A 53 -3.238 -15.311 -4.967 1.00 0.00 C ATOM 832 O LEU A 53 -3.837 -16.384 -5.036 1.00 0.00 O ATOM 833 CB LEU A 53 -0.878 -15.656 -4.213 1.00 0.00 C ATOM 834 CG LEU A 53 0.617 -15.375 -4.370 1.00 0.00 C ATOM 835 CD1 LEU A 53 1.397 -15.976 -3.211 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.125 -15.919 -5.697 1.00 0.00 C ATOM 0 H LEU A 53 -1.108 -13.252 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.602 -15.863 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.225 -15.167 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.013 -16.728 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 53 0.768 -14.296 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.459 -15.766 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.051 -15.539 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.240 -17.054 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.191 -15.710 -5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.962 -16.996 -5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.587 -15.441 -6.516 1.00 0.00 H new ATOM 848 N SER A 54 -3.811 -14.188 -4.547 1.00 0.00 N ATOM 849 CA SER A 54 -5.208 -14.152 -4.130 1.00 0.00 C ATOM 850 C SER A 54 -5.815 -12.775 -4.381 1.00 0.00 C ATOM 851 O SER A 54 -5.934 -11.961 -3.465 1.00 0.00 O ATOM 852 CB SER A 54 -5.330 -14.513 -2.648 1.00 0.00 C ATOM 853 OG SER A 54 -4.369 -13.818 -1.873 1.00 0.00 O ATOM 0 H SER A 54 -3.330 -13.291 -4.486 1.00 0.00 H new ATOM 0 HA SER A 54 -5.756 -14.885 -4.722 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.332 -14.271 -2.293 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.197 -15.587 -2.520 1.00 0.00 H new ATOM 0 HG SER A 54 -4.388 -12.866 -2.105 1.00 0.00 H new ATOM 859 N MET A 55 -6.196 -12.522 -5.628 1.00 0.00 N ATOM 860 CA MET A 55 -6.792 -11.243 -6.000 1.00 0.00 C ATOM 861 C MET A 55 -8.065 -10.984 -5.202 1.00 0.00 C ATOM 862 O MET A 55 -8.486 -9.838 -5.043 1.00 0.00 O ATOM 863 CB MET A 55 -7.101 -11.217 -7.498 1.00 0.00 C ATOM 864 CG MET A 55 -7.900 -9.999 -7.933 1.00 0.00 C ATOM 865 SD MET A 55 -8.224 -9.978 -9.706 1.00 0.00 S ATOM 866 CE MET A 55 -8.856 -8.315 -9.915 1.00 0.00 C ATOM 0 H MET A 55 -6.103 -13.184 -6.398 1.00 0.00 H new ATOM 0 HA MET A 55 -6.074 -10.455 -5.771 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.164 -11.244 -8.054 1.00 0.00 H new ATOM 0 HB3 MET A 55 -7.655 -12.118 -7.762 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.847 -9.979 -7.394 1.00 0.00 H new ATOM 0 HG3 MET A 55 -7.357 -9.095 -7.656 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.103 -8.149 -10.964 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.751 -8.187 -9.307 1.00 0.00 H new ATOM 0 HE3 MET A 55 -8.099 -7.596 -9.602 1.00 0.00 H new ATOM 876 N ARG A 56 -8.673 -12.055 -4.702 1.00 0.00 N ATOM 877 CA ARG A 56 -9.899 -11.942 -3.921 1.00 0.00 C ATOM 878 C ARG A 56 -9.586 -11.790 -2.435 1.00 0.00 C ATOM 879 O ARG A 56 -10.476 -11.889 -1.591 1.00 0.00 O ATOM 880 CB ARG A 56 -10.785 -13.169 -4.144 1.00 0.00 C ATOM 881 CG ARG A 56 -11.409 -13.227 -5.529 1.00 0.00 C ATOM 882 CD ARG A 56 -12.016 -14.592 -5.810 1.00 0.00 C ATOM 883 NE ARG A 56 -12.851 -15.058 -4.706 1.00 0.00 N ATOM 884 CZ ARG A 56 -13.186 -16.330 -4.523 1.00 0.00 C ATOM 885 NH1 ARG A 56 -12.757 -17.260 -5.366 1.00 0.00 N ATOM 886 NH2 ARG A 56 -13.950 -16.676 -3.495 1.00 0.00 N ATOM 0 H ARG A 56 -8.337 -13.010 -4.824 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.432 -11.052 -4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.191 -14.069 -3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.579 -13.174 -3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.179 -12.461 -5.614 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.652 -13.003 -6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.613 -14.542 -6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.219 -15.313 -5.991 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.196 -14.368 -4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.168 -16.999 -6.157 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.016 -18.236 -5.223 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.281 -15.965 -2.843 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.206 -17.653 -3.356 1.00 0.00 H new ATOM 900 N GLN A 57 -8.316 -11.551 -2.125 1.00 0.00 N ATOM 901 CA GLN A 57 -7.886 -11.387 -0.742 1.00 0.00 C ATOM 902 C GLN A 57 -7.079 -10.104 -0.571 1.00 0.00 C ATOM 903 O GLN A 57 -7.225 -9.397 0.427 1.00 0.00 O ATOM 904 CB GLN A 57 -7.052 -12.591 -0.299 1.00 0.00 C ATOM 905 CG GLN A 57 -7.843 -13.888 -0.233 1.00 0.00 C ATOM 906 CD GLN A 57 -8.884 -13.881 0.869 1.00 0.00 C ATOM 907 OE1 GLN A 57 -9.057 -12.883 1.570 1.00 0.00 O ATOM 908 NE2 GLN A 57 -9.585 -14.997 1.028 1.00 0.00 N ATOM 0 H GLN A 57 -7.567 -11.467 -2.813 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.776 -11.320 -0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.218 -12.718 -0.989 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.625 -12.385 0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.335 -14.059 -1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.157 -14.720 -0.074 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.409 -15.800 0.425 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.300 -15.051 1.753 1.00 0.00 H new ATOM 917 N ILE A 58 -6.229 -9.811 -1.548 1.00 0.00 N ATOM 918 CA ILE A 58 -5.400 -8.613 -1.506 1.00 0.00 C ATOM 919 C ILE A 58 -6.258 -7.353 -1.442 1.00 0.00 C ATOM 920 O ILE A 58 -7.040 -7.076 -2.351 1.00 0.00 O ATOM 921 CB ILE A 58 -4.472 -8.526 -2.731 1.00 0.00 C ATOM 922 CG1 ILE A 58 -3.561 -9.755 -2.796 1.00 0.00 C ATOM 923 CG2 ILE A 58 -3.645 -7.250 -2.681 1.00 0.00 C ATOM 924 CD1 ILE A 58 -2.604 -9.859 -1.630 1.00 0.00 C ATOM 0 H ILE A 58 -6.096 -10.387 -2.379 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.791 -8.683 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.086 -8.503 -3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.178 -10.653 -2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.989 -9.725 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.994 -7.204 -3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.309 -6.386 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.038 -7.245 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.990 -10.753 -1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.962 -8.978 -1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.169 -9.921 -0.700 1.00 0.00 H new ATOM 936 N ARG A 59 -6.103 -6.593 -0.363 1.00 0.00 N ATOM 937 CA ARG A 59 -6.863 -5.362 -0.181 1.00 0.00 C ATOM 938 C ARG A 59 -6.146 -4.418 0.780 1.00 0.00 C ATOM 939 O ARG A 59 -5.080 -4.741 1.305 1.00 0.00 O ATOM 940 CB ARG A 59 -8.265 -5.675 0.345 1.00 0.00 C ATOM 941 CG ARG A 59 -9.295 -5.885 -0.753 1.00 0.00 C ATOM 942 CD ARG A 59 -10.713 -5.799 -0.210 1.00 0.00 C ATOM 943 NE ARG A 59 -11.708 -5.791 -1.279 1.00 0.00 N ATOM 944 CZ ARG A 59 -12.995 -5.525 -1.082 1.00 0.00 C ATOM 945 NH1 ARG A 59 -13.439 -5.248 0.135 1.00 0.00 N ATOM 946 NH2 ARG A 59 -13.839 -5.537 -2.105 1.00 0.00 N ATOM 0 H ARG A 59 -5.459 -6.808 0.398 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.948 -4.871 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.220 -6.570 0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.593 -4.858 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.156 -5.135 -1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.140 -6.859 -1.217 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.899 -6.644 0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.818 -4.895 0.390 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.398 -6.001 -2.228 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.792 -5.238 0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.427 -5.044 0.283 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.500 -5.750 -3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.827 -5.333 -1.954 1.00 0.00 H new ATOM 960 N PHE A 60 -6.739 -3.250 1.007 1.00 0.00 N ATOM 961 CA PHE A 60 -6.157 -2.259 1.904 1.00 0.00 C ATOM 962 C PHE A 60 -7.011 -2.092 3.158 1.00 0.00 C ATOM 963 O PHE A 60 -8.227 -1.924 3.075 1.00 0.00 O ATOM 964 CB PHE A 60 -6.014 -0.914 1.188 1.00 0.00 C ATOM 965 CG PHE A 60 -4.670 -0.716 0.548 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.532 -0.574 1.325 1.00 0.00 C ATOM 967 CD2 PHE A 60 -4.545 -0.670 -0.831 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.293 -0.392 0.739 1.00 0.00 C ATOM 969 CE2 PHE A 60 -3.309 -0.489 -1.423 1.00 0.00 C ATOM 970 CZ PHE A 60 -2.182 -0.348 -0.636 1.00 0.00 C ATOM 0 H PHE A 60 -7.622 -2.967 0.582 1.00 0.00 H new ATOM 0 HA PHE A 60 -5.170 -2.611 2.202 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.787 -0.834 0.424 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.189 -0.110 1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.614 -0.606 2.401 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.423 -0.777 -1.451 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.413 -0.284 1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.224 -0.458 -2.499 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.216 -0.204 -1.096 1.00 0.00 H new ATOM 980 N ARG A 61 -6.364 -2.141 4.318 1.00 0.00 N ATOM 981 CA ARG A 61 -7.063 -1.997 5.589 1.00 0.00 C ATOM 982 C ARG A 61 -6.161 -1.348 6.635 1.00 0.00 C ATOM 983 O ARG A 61 -5.024 -1.773 6.839 1.00 0.00 O ATOM 984 CB ARG A 61 -7.542 -3.361 6.089 1.00 0.00 C ATOM 985 CG ARG A 61 -8.860 -3.305 6.843 1.00 0.00 C ATOM 986 CD ARG A 61 -10.044 -3.243 5.891 1.00 0.00 C ATOM 987 NE ARG A 61 -11.320 -3.251 6.602 1.00 0.00 N ATOM 988 CZ ARG A 61 -11.805 -4.317 7.229 1.00 0.00 C ATOM 989 NH1 ARG A 61 -11.124 -5.455 7.233 1.00 0.00 N ATOM 990 NH2 ARG A 61 -12.973 -4.246 7.854 1.00 0.00 N ATOM 0 H ARG A 61 -5.357 -2.279 4.404 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.927 -1.352 5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.648 -4.034 5.238 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.779 -3.788 6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.952 -4.183 7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.870 -2.432 7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.973 -2.341 5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.005 -4.091 5.208 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.869 -2.391 6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.225 -5.513 6.754 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.499 -6.272 7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.499 -3.372 7.853 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.345 -5.065 8.335 1.00 0.00 H new ATOM 1004 N PHE A 62 -6.676 -0.315 7.294 1.00 0.00 N ATOM 1005 CA PHE A 62 -5.917 0.394 8.317 1.00 0.00 C ATOM 1006 C PHE A 62 -6.504 0.140 9.703 1.00 0.00 C ATOM 1007 O PHE A 62 -7.681 -0.194 9.839 1.00 0.00 O ATOM 1008 CB PHE A 62 -5.905 1.896 8.024 1.00 0.00 C ATOM 1009 CG PHE A 62 -5.007 2.678 8.939 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -3.629 2.561 8.846 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -5.540 3.529 9.894 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -2.800 3.279 9.687 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -4.716 4.250 10.736 1.00 0.00 C ATOM 1014 CZ PHE A 62 -3.344 4.124 10.634 1.00 0.00 C ATOM 0 H PHE A 62 -7.616 0.049 7.138 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.894 0.019 8.300 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.587 2.054 6.993 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.921 2.282 8.107 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.198 1.901 8.108 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.612 3.630 9.981 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.728 3.179 9.604 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.144 4.912 11.474 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.698 4.685 11.293 1.00 0.00 H new ATOM 1024 N ASP A 63 -5.674 0.300 10.728 1.00 0.00 N ATOM 1025 CA ASP A 63 -6.109 0.089 12.104 1.00 0.00 C ATOM 1026 C ASP A 63 -6.947 1.265 12.595 1.00 0.00 C ATOM 1027 O ASP A 63 -6.601 1.919 13.578 1.00 0.00 O ATOM 1028 CB ASP A 63 -4.900 -0.109 13.019 1.00 0.00 C ATOM 1029 CG ASP A 63 -5.233 -0.932 14.248 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -6.045 -1.873 14.131 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -4.681 -0.634 15.328 1.00 0.00 O ATOM 0 H ASP A 63 -4.696 0.575 10.632 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.726 -0.809 12.130 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.103 -0.600 12.461 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.519 0.864 13.329 1.00 0.00 H new ATOM 1036 N GLY A 64 -8.052 1.529 11.903 1.00 0.00 N ATOM 1037 CA GLY A 64 -8.921 2.626 12.284 1.00 0.00 C ATOM 1038 C GLY A 64 -10.199 2.663 11.469 1.00 0.00 C ATOM 1039 O GLY A 64 -11.253 3.047 11.975 1.00 0.00 O ATOM 0 H GLY A 64 -8.360 1.002 11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.170 2.538 13.341 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.387 3.568 12.160 1.00 0.00 H new ATOM 1043 N GLN A 65 -10.105 2.264 10.205 1.00 0.00 N ATOM 1044 CA GLN A 65 -11.263 2.255 9.319 1.00 0.00 C ATOM 1045 C GLN A 65 -10.959 1.493 8.034 1.00 0.00 C ATOM 1046 O GLN A 65 -9.803 1.278 7.669 1.00 0.00 O ATOM 1047 CB GLN A 65 -11.690 3.686 8.989 1.00 0.00 C ATOM 1048 CG GLN A 65 -12.836 4.193 9.848 1.00 0.00 C ATOM 1049 CD GLN A 65 -13.693 5.218 9.133 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -14.882 4.997 8.900 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -13.093 6.349 8.779 1.00 0.00 N ATOM 0 H GLN A 65 -9.239 1.943 9.771 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.080 1.750 9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.834 4.349 9.112 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.983 3.736 7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.459 3.351 10.149 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.434 4.634 10.760 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.106 6.491 8.992 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.620 7.076 8.294 1.00 0.00 H new ATOM 1060 N PRO A 66 -12.020 1.073 7.329 1.00 0.00 N ATOM 1061 CA PRO A 66 -11.892 0.328 6.073 1.00 0.00 C ATOM 1062 C PRO A 66 -11.357 1.194 4.937 1.00 0.00 C ATOM 1063 O PRO A 66 -11.157 2.398 5.104 1.00 0.00 O ATOM 1064 CB PRO A 66 -13.327 -0.116 5.776 1.00 0.00 C ATOM 1065 CG PRO A 66 -14.185 0.884 6.471 1.00 0.00 C ATOM 1066 CD PRO A 66 -13.427 1.294 7.704 1.00 0.00 C ATOM 0 HA PRO A 66 -11.185 -0.497 6.159 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.523 -0.129 4.704 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.514 -1.124 6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.381 1.743 5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.152 0.454 6.732 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.615 2.336 7.963 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.711 0.694 8.569 1.00 0.00 H new ATOM 1074 N ILE A 67 -11.129 0.575 3.784 1.00 0.00 N ATOM 1075 CA ILE A 67 -10.619 1.290 2.621 1.00 0.00 C ATOM 1076 C ILE A 67 -11.213 0.736 1.331 1.00 0.00 C ATOM 1077 O ILE A 67 -11.209 -0.473 1.103 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.083 1.212 2.541 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.459 1.615 3.879 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -8.565 2.101 1.420 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -6.949 1.527 3.893 1.00 0.00 C ATOM 0 H ILE A 67 -11.289 -0.420 3.630 1.00 0.00 H new ATOM 0 HA ILE A 67 -10.916 2.332 2.736 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.797 0.183 2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.757 2.636 4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.859 0.975 4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.478 2.035 1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.987 1.772 0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.859 3.134 1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.576 1.827 4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.642 0.502 3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.539 2.189 3.130 1.00 0.00 H new ATOM 1093 N ASN A 68 -11.722 1.629 0.488 1.00 0.00 N ATOM 1094 CA ASN A 68 -12.318 1.230 -0.781 1.00 0.00 C ATOM 1095 C ASN A 68 -11.547 1.824 -1.955 1.00 0.00 C ATOM 1096 O ASN A 68 -10.676 2.674 -1.772 1.00 0.00 O ATOM 1097 CB ASN A 68 -13.782 1.672 -0.841 1.00 0.00 C ATOM 1098 CG ASN A 68 -14.599 1.125 0.313 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -14.302 0.057 0.848 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -15.636 1.857 0.703 1.00 0.00 N ATOM 0 H ASN A 68 -11.733 2.634 0.661 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.270 0.143 -0.851 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.830 2.761 -0.833 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.220 1.340 -1.782 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.223 1.540 1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.846 2.736 0.231 1.00 0.00 H new ATOM 1107 N GLU A 69 -11.875 1.371 -3.161 1.00 0.00 N ATOM 1108 CA GLU A 69 -11.212 1.858 -4.366 1.00 0.00 C ATOM 1109 C GLU A 69 -11.562 3.320 -4.626 1.00 0.00 C ATOM 1110 O GLU A 69 -10.830 4.034 -5.312 1.00 0.00 O ATOM 1111 CB GLU A 69 -11.608 1.005 -5.573 1.00 0.00 C ATOM 1112 CG GLU A 69 -13.095 1.045 -5.886 1.00 0.00 C ATOM 1113 CD GLU A 69 -13.868 -0.055 -5.186 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -13.259 -0.789 -4.380 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -15.084 -0.182 -5.444 1.00 0.00 O ATOM 0 H GLU A 69 -12.595 0.668 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.135 1.781 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.052 1.346 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.312 -0.028 -5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.499 2.013 -5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.238 0.956 -6.963 1.00 0.00 H new ATOM 1122 N THR A 70 -12.688 3.760 -4.073 1.00 0.00 N ATOM 1123 CA THR A 70 -13.138 5.136 -4.245 1.00 0.00 C ATOM 1124 C THR A 70 -12.739 5.998 -3.053 1.00 0.00 C ATOM 1125 O THR A 70 -13.399 6.991 -2.744 1.00 0.00 O ATOM 1126 CB THR A 70 -14.665 5.209 -4.429 1.00 0.00 C ATOM 1127 OG1 THR A 70 -15.053 6.541 -4.784 1.00 0.00 O ATOM 1128 CG2 THR A 70 -15.384 4.789 -3.156 1.00 0.00 C ATOM 0 H THR A 70 -13.305 3.183 -3.502 1.00 0.00 H new ATOM 0 HA THR A 70 -12.653 5.517 -5.144 1.00 0.00 H new ATOM 0 HB THR A 70 -14.945 4.524 -5.229 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.596 7.182 -4.200 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.461 4.849 -3.310 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.110 3.765 -2.904 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.097 5.452 -2.340 1.00 0.00 H new ATOM 1136 N ASP A 71 -11.655 5.614 -2.387 1.00 0.00 N ATOM 1137 CA ASP A 71 -11.167 6.354 -1.229 1.00 0.00 C ATOM 1138 C ASP A 71 -9.734 6.826 -1.451 1.00 0.00 C ATOM 1139 O ASP A 71 -8.848 6.032 -1.770 1.00 0.00 O ATOM 1140 CB ASP A 71 -11.242 5.484 0.027 1.00 0.00 C ATOM 1141 CG ASP A 71 -12.552 5.655 0.771 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -13.579 5.920 0.112 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -12.550 5.522 2.013 1.00 0.00 O ATOM 0 H ASP A 71 -11.098 4.795 -2.629 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.802 7.230 -1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.119 4.437 -0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.415 5.736 0.690 1.00 0.00 H new ATOM 1148 N THR A 72 -9.511 8.126 -1.281 1.00 0.00 N ATOM 1149 CA THR A 72 -8.187 8.705 -1.465 1.00 0.00 C ATOM 1150 C THR A 72 -7.474 8.881 -0.129 1.00 0.00 C ATOM 1151 O THR A 72 -8.098 8.985 0.926 1.00 0.00 O ATOM 1152 CB THR A 72 -8.263 10.069 -2.177 1.00 0.00 C ATOM 1153 OG1 THR A 72 -9.297 10.869 -1.593 1.00 0.00 O ATOM 1154 CG2 THR A 72 -8.533 9.889 -3.663 1.00 0.00 C ATOM 0 H THR A 72 -10.232 8.798 -1.016 1.00 0.00 H new ATOM 0 HA THR A 72 -7.622 8.010 -2.087 1.00 0.00 H new ATOM 0 HB THR A 72 -7.303 10.571 -2.056 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.338 11.735 -2.050 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.582 10.866 -4.145 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.730 9.304 -4.111 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.481 9.368 -3.800 1.00 0.00 H new ATOM 1162 N PRO A 73 -6.133 8.916 -0.173 1.00 0.00 N ATOM 1163 CA PRO A 73 -5.306 9.081 1.026 1.00 0.00 C ATOM 1164 C PRO A 73 -5.421 10.480 1.621 1.00 0.00 C ATOM 1165 O PRO A 73 -4.934 10.739 2.722 1.00 0.00 O ATOM 1166 CB PRO A 73 -3.885 8.834 0.513 1.00 0.00 C ATOM 1167 CG PRO A 73 -3.941 9.173 -0.936 1.00 0.00 C ATOM 1168 CD PRO A 73 -5.322 8.799 -1.397 1.00 0.00 C ATOM 0 HA PRO A 73 -5.609 8.406 1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.161 9.457 1.038 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.584 7.798 0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.751 10.234 -1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.182 8.625 -1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.679 9.467 -2.181 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.350 7.788 -1.803 1.00 0.00 H new ATOM 1176 N ALA A 74 -6.069 11.380 0.888 1.00 0.00 N ATOM 1177 CA ALA A 74 -6.250 12.752 1.345 1.00 0.00 C ATOM 1178 C ALA A 74 -7.362 12.842 2.385 1.00 0.00 C ATOM 1179 O ALA A 74 -7.279 13.629 3.327 1.00 0.00 O ATOM 1180 CB ALA A 74 -6.552 13.665 0.166 1.00 0.00 C ATOM 0 H ALA A 74 -6.478 11.183 -0.026 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.322 13.078 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.685 14.687 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.723 13.632 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.464 13.331 -0.328 1.00 0.00 H new ATOM 1186 N GLN A 75 -8.399 12.031 2.206 1.00 0.00 N ATOM 1187 CA GLN A 75 -9.528 12.021 3.130 1.00 0.00 C ATOM 1188 C GLN A 75 -9.445 10.829 4.078 1.00 0.00 C ATOM 1189 O GLN A 75 -10.429 10.468 4.726 1.00 0.00 O ATOM 1190 CB GLN A 75 -10.847 11.982 2.356 1.00 0.00 C ATOM 1191 CG GLN A 75 -11.179 13.288 1.653 1.00 0.00 C ATOM 1192 CD GLN A 75 -11.321 14.449 2.617 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -10.496 15.363 2.632 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -12.371 14.420 3.429 1.00 0.00 N ATOM 0 H GLN A 75 -8.482 11.373 1.431 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.489 12.936 3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.801 11.183 1.617 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.655 11.734 3.044 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.397 13.516 0.929 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.107 13.170 1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.030 13.643 3.383 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.519 15.175 4.099 1.00 0.00 H new ATOM 1203 N LEU A 76 -8.267 10.221 4.154 1.00 0.00 N ATOM 1204 CA LEU A 76 -8.056 9.069 5.023 1.00 0.00 C ATOM 1205 C LEU A 76 -7.026 9.383 6.104 1.00 0.00 C ATOM 1206 O LEU A 76 -6.950 8.694 7.121 1.00 0.00 O ATOM 1207 CB LEU A 76 -7.597 7.863 4.202 1.00 0.00 C ATOM 1208 CG LEU A 76 -8.687 6.865 3.808 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -9.159 6.082 5.023 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -9.855 7.584 3.148 1.00 0.00 C ATOM 0 H LEU A 76 -7.443 10.506 3.624 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.004 8.833 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.121 8.228 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.834 7.331 4.770 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.266 6.162 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.934 5.377 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.319 5.536 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.562 6.771 5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.621 6.859 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.275 8.310 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.506 8.099 2.253 1.00 0.00 H new ATOM 1222 N GLU A 77 -6.238 10.429 5.877 1.00 0.00 N ATOM 1223 CA GLU A 77 -5.214 10.835 6.832 1.00 0.00 C ATOM 1224 C GLU A 77 -4.157 9.746 6.993 1.00 0.00 C ATOM 1225 O GLU A 77 -3.675 9.492 8.097 1.00 0.00 O ATOM 1226 CB GLU A 77 -5.847 11.151 8.189 1.00 0.00 C ATOM 1227 CG GLU A 77 -7.051 12.073 8.098 1.00 0.00 C ATOM 1228 CD GLU A 77 -7.186 12.977 9.308 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -6.540 12.690 10.338 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -7.938 13.971 9.226 1.00 0.00 O ATOM 0 H GLU A 77 -6.289 11.010 5.040 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.730 11.733 6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.149 10.218 8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.096 11.610 8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.969 12.685 7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.956 11.474 7.994 1.00 0.00 H new ATOM 1237 N MET A 78 -3.803 9.105 5.884 1.00 0.00 N ATOM 1238 CA MET A 78 -2.803 8.043 5.902 1.00 0.00 C ATOM 1239 C MET A 78 -1.475 8.537 5.339 1.00 0.00 C ATOM 1240 O MET A 78 -1.106 8.203 4.214 1.00 0.00 O ATOM 1241 CB MET A 78 -3.295 6.837 5.098 1.00 0.00 C ATOM 1242 CG MET A 78 -3.846 7.203 3.730 1.00 0.00 C ATOM 1243 SD MET A 78 -3.952 5.785 2.622 1.00 0.00 S ATOM 1244 CE MET A 78 -5.718 5.487 2.621 1.00 0.00 C ATOM 0 H MET A 78 -4.193 9.302 4.962 1.00 0.00 H new ATOM 0 HA MET A 78 -2.648 7.741 6.938 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.472 6.134 4.973 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.070 6.323 5.667 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.837 7.642 3.847 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.211 7.965 3.279 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.924 4.522 2.159 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.087 5.484 3.647 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.219 6.274 2.057 1.00 0.00 H new ATOM 1254 N GLU A 79 -0.763 9.335 6.128 1.00 0.00 N ATOM 1255 CA GLU A 79 0.524 9.876 5.706 1.00 0.00 C ATOM 1256 C GLU A 79 1.524 9.865 6.859 1.00 0.00 C ATOM 1257 O GLU A 79 1.289 9.238 7.892 1.00 0.00 O ATOM 1258 CB GLU A 79 0.354 11.302 5.177 1.00 0.00 C ATOM 1259 CG GLU A 79 -1.003 11.558 4.543 1.00 0.00 C ATOM 1260 CD GLU A 79 -1.134 12.966 3.996 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -0.248 13.799 4.279 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -2.124 13.235 3.283 1.00 0.00 O ATOM 0 H GLU A 79 -1.055 9.621 7.062 1.00 0.00 H new ATOM 0 HA GLU A 79 0.911 9.243 4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.501 12.005 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.133 11.503 4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.164 10.842 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.784 11.385 5.283 1.00 0.00 H new ATOM 1269 N ASP A 80 2.639 10.563 6.674 1.00 0.00 N ATOM 1270 CA ASP A 80 3.675 10.635 7.697 1.00 0.00 C ATOM 1271 C ASP A 80 4.269 9.256 7.967 1.00 0.00 C ATOM 1272 O ASP A 80 4.458 8.866 9.119 1.00 0.00 O ATOM 1273 CB ASP A 80 3.104 11.219 8.990 1.00 0.00 C ATOM 1274 CG ASP A 80 2.067 12.295 8.731 1.00 0.00 C ATOM 1275 OD1 ASP A 80 2.445 13.376 8.232 1.00 0.00 O ATOM 1276 OD2 ASP A 80 0.878 12.055 9.026 1.00 0.00 O ATOM 0 H ASP A 80 2.848 11.087 5.824 1.00 0.00 H new ATOM 0 HA ASP A 80 4.468 11.287 7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.654 10.419 9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.915 11.636 9.586 1.00 0.00 H new ATOM 1281 N GLU A 81 4.560 8.523 6.897 1.00 0.00 N ATOM 1282 CA GLU A 81 5.131 7.186 7.019 1.00 0.00 C ATOM 1283 C GLU A 81 4.159 6.242 7.720 1.00 0.00 C ATOM 1284 O GLU A 81 4.536 5.518 8.642 1.00 0.00 O ATOM 1285 CB GLU A 81 6.452 7.241 7.790 1.00 0.00 C ATOM 1286 CG GLU A 81 7.406 8.311 7.288 1.00 0.00 C ATOM 1287 CD GLU A 81 8.694 8.366 8.087 1.00 0.00 C ATOM 1288 OE1 GLU A 81 8.806 7.623 9.084 1.00 0.00 O ATOM 1289 OE2 GLU A 81 9.589 9.154 7.715 1.00 0.00 O ATOM 0 H GLU A 81 4.410 8.832 5.936 1.00 0.00 H new ATOM 0 HA GLU A 81 5.320 6.805 6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.240 7.421 8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.942 6.270 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.640 8.121 6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.913 9.282 7.333 1.00 0.00 H new ATOM 1296 N ASP A 82 2.907 6.256 7.277 1.00 0.00 N ATOM 1297 CA ASP A 82 1.880 5.400 7.860 1.00 0.00 C ATOM 1298 C ASP A 82 2.114 3.939 7.490 1.00 0.00 C ATOM 1299 O ASP A 82 2.908 3.632 6.600 1.00 0.00 O ATOM 1300 CB ASP A 82 0.492 5.842 7.392 1.00 0.00 C ATOM 1301 CG ASP A 82 -0.318 6.481 8.503 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -0.449 5.855 9.576 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -0.821 7.606 8.300 1.00 0.00 O ATOM 0 H ASP A 82 2.578 6.851 6.516 1.00 0.00 H new ATOM 0 HA ASP A 82 1.937 5.494 8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.597 6.550 6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.049 4.979 7.002 1.00 0.00 H new ATOM 1308 N THR A 83 1.419 3.040 8.179 1.00 0.00 N ATOM 1309 CA THR A 83 1.553 1.611 7.925 1.00 0.00 C ATOM 1310 C THR A 83 0.188 0.936 7.848 1.00 0.00 C ATOM 1311 O THR A 83 -0.412 0.611 8.873 1.00 0.00 O ATOM 1312 CB THR A 83 2.393 0.922 9.017 1.00 0.00 C ATOM 1313 OG1 THR A 83 3.511 1.745 9.366 1.00 0.00 O ATOM 1314 CG2 THR A 83 2.885 -0.437 8.544 1.00 0.00 C ATOM 0 H THR A 83 0.757 3.276 8.918 1.00 0.00 H new ATOM 0 HA THR A 83 2.062 1.507 6.967 1.00 0.00 H new ATOM 0 HB THR A 83 1.761 0.777 9.893 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.039 1.301 10.062 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.476 -0.904 9.332 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.031 -1.071 8.306 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.502 -0.311 7.654 1.00 0.00 H new ATOM 1322 N ILE A 84 -0.296 0.728 6.628 1.00 0.00 N ATOM 1323 CA ILE A 84 -1.589 0.089 6.419 1.00 0.00 C ATOM 1324 C ILE A 84 -1.444 -1.425 6.311 1.00 0.00 C ATOM 1325 O ILE A 84 -0.678 -1.929 5.490 1.00 0.00 O ATOM 1326 CB ILE A 84 -2.279 0.619 5.148 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -2.411 2.142 5.210 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -3.645 -0.030 4.977 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -3.109 2.738 4.007 1.00 0.00 C ATOM 0 H ILE A 84 0.188 0.993 5.770 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.204 0.331 7.286 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.665 0.361 4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.961 2.414 6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.417 2.581 5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.120 0.355 4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.527 -1.110 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.268 0.200 5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.167 3.821 4.119 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.548 2.496 3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.116 2.327 3.930 1.00 0.00 H new ATOM 1341 N ASP A 85 -2.185 -2.146 7.145 1.00 0.00 N ATOM 1342 CA ASP A 85 -2.142 -3.603 7.142 1.00 0.00 C ATOM 1343 C ASP A 85 -2.861 -4.166 5.920 1.00 0.00 C ATOM 1344 O ASP A 85 -4.033 -3.871 5.686 1.00 0.00 O ATOM 1345 CB ASP A 85 -2.774 -4.156 8.421 1.00 0.00 C ATOM 1346 CG ASP A 85 -1.847 -4.055 9.616 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -0.964 -4.927 9.756 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -2.004 -3.105 10.411 1.00 0.00 O ATOM 0 H ASP A 85 -2.823 -1.745 7.832 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.097 -3.911 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.695 -3.612 8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.049 -5.199 8.265 1.00 0.00 H new ATOM 1353 N VAL A 86 -2.150 -4.977 5.143 1.00 0.00 N ATOM 1354 CA VAL A 86 -2.720 -5.582 3.945 1.00 0.00 C ATOM 1355 C VAL A 86 -3.313 -6.952 4.250 1.00 0.00 C ATOM 1356 O VAL A 86 -2.853 -7.654 5.151 1.00 0.00 O ATOM 1357 CB VAL A 86 -1.663 -5.727 2.833 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -0.787 -6.945 3.086 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -2.333 -5.816 1.471 1.00 0.00 C ATOM 0 H VAL A 86 -1.178 -5.230 5.322 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.511 -4.917 3.600 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.026 -4.842 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.046 -7.032 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.280 -6.835 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.407 -7.841 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.572 -5.918 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.994 -6.682 1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.914 -4.911 1.292 1.00 0.00 H new ATOM 1369 N PHE A 87 -4.338 -7.329 3.492 1.00 0.00 N ATOM 1370 CA PHE A 87 -4.996 -8.617 3.681 1.00 0.00 C ATOM 1371 C PHE A 87 -4.450 -9.655 2.705 1.00 0.00 C ATOM 1372 O PHE A 87 -4.668 -9.560 1.498 1.00 0.00 O ATOM 1373 CB PHE A 87 -6.508 -8.472 3.497 1.00 0.00 C ATOM 1374 CG PHE A 87 -7.294 -9.614 4.077 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -7.194 -10.886 3.537 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -8.133 -9.414 5.162 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -7.916 -11.938 4.069 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -8.858 -10.462 5.698 1.00 0.00 C ATOM 1379 CZ PHE A 87 -8.748 -11.726 5.151 1.00 0.00 C ATOM 0 H PHE A 87 -4.731 -6.761 2.741 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.791 -8.957 4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.835 -7.542 3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.731 -8.391 2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.545 -11.058 2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.221 -8.428 5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.830 -12.925 3.639 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.509 -10.293 6.543 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.312 -12.547 5.569 1.00 0.00 H new ATOM 1389 N GLN A 88 -3.740 -10.644 3.239 1.00 0.00 N ATOM 1390 CA GLN A 88 -3.162 -11.699 2.415 1.00 0.00 C ATOM 1391 C GLN A 88 -3.213 -13.042 3.136 1.00 0.00 C ATOM 1392 O GLN A 88 -3.468 -13.102 4.338 1.00 0.00 O ATOM 1393 CB GLN A 88 -1.716 -11.356 2.051 1.00 0.00 C ATOM 1394 CG GLN A 88 -1.218 -12.068 0.804 1.00 0.00 C ATOM 1395 CD GLN A 88 -0.185 -11.259 0.044 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -0.094 -10.042 0.203 1.00 0.00 O ATOM 1397 NE2 GLN A 88 0.600 -11.933 -0.788 1.00 0.00 N ATOM 0 H GLN A 88 -3.552 -10.737 4.237 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.751 -11.776 1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.633 -10.279 1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.068 -11.613 2.889 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.786 -13.028 1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.063 -12.279 0.149 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.490 -12.942 -0.889 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.314 -11.442 -1.327 1.00 0.00 H new ATOM 1406 N GLN A 89 -2.970 -14.116 2.392 1.00 0.00 N ATOM 1407 CA GLN A 89 -2.990 -15.459 2.961 1.00 0.00 C ATOM 1408 C GLN A 89 -1.585 -16.053 3.004 1.00 0.00 C ATOM 1409 O GLN A 89 -1.291 -16.913 3.833 1.00 0.00 O ATOM 1410 CB GLN A 89 -3.916 -16.366 2.150 1.00 0.00 C ATOM 1411 CG GLN A 89 -3.483 -16.540 0.703 1.00 0.00 C ATOM 1412 CD GLN A 89 -2.513 -17.690 0.518 1.00 0.00 C ATOM 1413 OE1 GLN A 89 -2.411 -18.574 1.369 1.00 0.00 O ATOM 1414 NE2 GLN A 89 -1.794 -17.685 -0.599 1.00 0.00 N ATOM 0 H GLN A 89 -2.757 -14.083 1.395 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.366 -15.388 3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.961 -17.345 2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.925 -15.954 2.172 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -4.363 -16.709 0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.018 -15.618 0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.911 -16.932 -1.277 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -1.125 -18.434 -0.778 1.00 0.00 H new ATOM 1423 N GLN A 90 -0.725 -15.589 2.104 1.00 0.00 N ATOM 1424 CA GLN A 90 0.648 -16.076 2.038 1.00 0.00 C ATOM 1425 C GLN A 90 1.488 -15.491 3.170 1.00 0.00 C ATOM 1426 O GLN A 90 1.246 -14.372 3.623 1.00 0.00 O ATOM 1427 CB GLN A 90 1.274 -15.721 0.688 1.00 0.00 C ATOM 1428 CG GLN A 90 2.331 -16.712 0.229 1.00 0.00 C ATOM 1429 CD GLN A 90 1.778 -18.111 0.043 1.00 0.00 C ATOM 1430 OE1 GLN A 90 0.909 -18.341 -0.798 1.00 0.00 O ATOM 1431 NE2 GLN A 90 2.281 -19.056 0.829 1.00 0.00 N ATOM 0 H GLN A 90 -0.954 -14.877 1.411 1.00 0.00 H new ATOM 0 HA GLN A 90 0.627 -17.160 2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.488 -15.666 -0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.722 -14.729 0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.762 -16.368 -0.711 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.140 -16.739 0.959 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.000 -18.821 1.513 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.948 -20.017 0.749 1.00 0.00 H new ATOM 1440 N THR A 91 2.476 -16.257 3.623 1.00 0.00 N ATOM 1441 CA THR A 91 3.350 -15.816 4.703 1.00 0.00 C ATOM 1442 C THR A 91 4.656 -16.602 4.708 1.00 0.00 C ATOM 1443 O THR A 91 4.662 -17.816 4.512 1.00 0.00 O ATOM 1444 CB THR A 91 2.667 -15.967 6.076 1.00 0.00 C ATOM 1445 OG1 THR A 91 1.310 -15.519 6.000 1.00 0.00 O ATOM 1446 CG2 THR A 91 3.410 -15.172 7.139 1.00 0.00 C ATOM 0 H THR A 91 2.691 -17.185 3.259 1.00 0.00 H new ATOM 0 HA THR A 91 3.564 -14.762 4.527 1.00 0.00 H new ATOM 0 HB THR A 91 2.686 -17.021 6.353 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.248 -14.770 5.372 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.910 -15.293 8.100 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.435 -15.535 7.215 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.418 -14.117 6.865 1.00 0.00 H new ATOM 1454 N GLY A 92 5.763 -15.900 4.936 1.00 0.00 N ATOM 1455 CA GLY A 92 7.060 -16.550 4.963 1.00 0.00 C ATOM 1456 C GLY A 92 8.131 -15.680 5.589 1.00 0.00 C ATOM 1457 O GLY A 92 9.005 -16.174 6.301 1.00 0.00 O ATOM 0 H GLY A 92 5.784 -14.894 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.983 -17.484 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.355 -16.809 3.946 1.00 0.00 H new ATOM 1461 N GLY A 93 8.065 -14.378 5.323 1.00 0.00 N ATOM 1462 CA GLY A 93 9.044 -13.458 5.872 1.00 0.00 C ATOM 1463 C GLY A 93 8.758 -13.103 7.318 1.00 0.00 C ATOM 1464 O GLY A 93 8.362 -13.959 8.108 1.00 0.00 O ATOM 0 H GLY A 93 7.351 -13.945 4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.037 -13.903 5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.058 -12.547 5.273 1.00 0.00 H new ATOM 1468 N VAL A 94 8.962 -11.836 7.665 1.00 0.00 N ATOM 1469 CA VAL A 94 8.724 -11.369 9.025 1.00 0.00 C ATOM 1470 C VAL A 94 7.870 -10.106 9.031 1.00 0.00 C ATOM 1471 O VAL A 94 8.080 -9.197 8.228 1.00 0.00 O ATOM 1472 CB VAL A 94 10.047 -11.083 9.760 1.00 0.00 C ATOM 1473 CG1 VAL A 94 9.788 -10.772 11.226 1.00 0.00 C ATOM 1474 CG2 VAL A 94 11.000 -12.261 9.617 1.00 0.00 C ATOM 0 H VAL A 94 9.291 -11.115 7.023 1.00 0.00 H new ATOM 0 HA VAL A 94 8.193 -12.166 9.545 1.00 0.00 H new ATOM 0 HB VAL A 94 10.513 -10.209 9.305 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.735 -10.573 11.728 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.144 -9.896 11.304 1.00 0.00 H new ATOM 0 HG13 VAL A 94 9.299 -11.624 11.698 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.930 -12.043 10.142 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.543 -13.153 10.045 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.211 -12.432 8.561 1.00 0.00 H new ATOM 1484 N TYR A 95 6.905 -10.055 9.944 1.00 0.00 N ATOM 1485 CA TYR A 95 6.017 -8.904 10.053 1.00 0.00 C ATOM 1486 C TYR A 95 6.688 -7.770 10.823 1.00 0.00 C ATOM 1487 O TYR A 95 6.818 -6.656 10.317 1.00 0.00 O ATOM 1488 CB TYR A 95 4.713 -9.304 10.746 1.00 0.00 C ATOM 1489 CG TYR A 95 4.911 -9.844 12.145 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.971 -8.989 13.238 1.00 0.00 C ATOM 1491 CD2 TYR A 95 5.040 -11.209 12.372 1.00 0.00 C ATOM 1492 CE1 TYR A 95 5.152 -9.478 14.518 1.00 0.00 C ATOM 1493 CE2 TYR A 95 5.221 -11.706 13.648 1.00 0.00 C ATOM 1494 CZ TYR A 95 5.276 -10.837 14.717 1.00 0.00 C ATOM 1495 OH TYR A 95 5.457 -11.328 15.990 1.00 0.00 O ATOM 0 H TYR A 95 6.719 -10.797 10.618 1.00 0.00 H new ATOM 0 HA TYR A 95 5.793 -8.553 9.046 1.00 0.00 H new ATOM 0 HB2 TYR A 95 4.054 -8.437 10.790 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.207 -10.058 10.143 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.875 -7.924 13.085 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.998 -11.893 11.537 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.196 -8.800 15.357 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.319 -12.770 13.807 1.00 0.00 H new ATOM 0 HH TYR A 95 5.525 -12.305 15.957 1.00 0.00 H new TER 1505 TYR A 95