USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 738 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 73 CYS SG : rot -96:sc= 0.657 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.252 K(o=0.41,f=-0.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.219 K(o=-0.22,f=-0.85) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= 0.724 (180deg=0.342) USER MOD Single : A 14 SER OG : rot 168:sc= 1.2 USER MOD Single : A 19 ASN : amide:sc= -0.624 K(o=-0.62,f=-6.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0963 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.044) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot -145:sc= 0.283 USER MOD Single : A 38 MET CE :methyl -175:sc= -1.33 (180deg=-1.42) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.143 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 170:sc= -0.583 USER MOD Single : A 56 SER OG : rot -87:sc= 1.21 USER MOD Single : A 58 TYR OH : rot -15:sc= -0.0385 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0983 USER MOD Single : A 82 TYR OH : rot 8:sc= 1.21 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.964 K(o=0.96,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 169:sc= -0.117 (180deg=-0.206) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.027 11.366 -6.413 1.00 0.00 N ATOM 2 CA GLY A 1 -22.928 11.308 -5.261 1.00 0.00 C ATOM 3 C GLY A 1 -22.156 10.707 -4.114 1.00 0.00 C ATOM 4 O GLY A 1 -21.194 11.316 -3.652 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.529 11.777 -7.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.203 11.956 -6.180 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.708 10.406 -6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.285 12.305 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.806 10.704 -5.491 1.00 0.00 H new ATOM 8 N SER A 2 -22.520 9.495 -3.712 1.00 0.00 N ATOM 9 CA SER A 2 -21.905 8.742 -2.630 1.00 0.00 C ATOM 10 C SER A 2 -21.597 7.327 -3.143 1.00 0.00 C ATOM 11 O SER A 2 -22.226 6.886 -4.112 1.00 0.00 O ATOM 12 CB SER A 2 -22.854 8.725 -1.415 1.00 0.00 C ATOM 13 OG SER A 2 -23.900 9.694 -1.497 1.00 0.00 O ATOM 0 H SER A 2 -23.288 8.989 -4.153 1.00 0.00 H new ATOM 0 HA SER A 2 -20.972 9.204 -2.307 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.295 7.733 -1.322 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.275 8.903 -0.509 1.00 0.00 H new ATOM 0 HG SER A 2 -24.467 9.632 -0.700 1.00 0.00 H new ATOM 19 N HIS A 3 -20.631 6.640 -2.529 1.00 0.00 N ATOM 20 CA HIS A 3 -20.410 5.201 -2.610 1.00 0.00 C ATOM 21 C HIS A 3 -19.491 4.805 -1.450 1.00 0.00 C ATOM 22 O HIS A 3 -19.020 5.666 -0.704 1.00 0.00 O ATOM 23 CB HIS A 3 -19.857 4.763 -3.978 1.00 0.00 C ATOM 24 CG HIS A 3 -18.428 5.150 -4.241 1.00 0.00 C ATOM 25 ND1 HIS A 3 -17.960 6.400 -4.580 1.00 0.00 N ATOM 26 CD2 HIS A 3 -17.359 4.300 -4.203 1.00 0.00 C ATOM 27 CE1 HIS A 3 -16.632 6.300 -4.751 1.00 0.00 C ATOM 28 NE2 HIS A 3 -16.226 5.034 -4.551 1.00 0.00 N ATOM 0 H HIS A 3 -19.946 7.102 -1.930 1.00 0.00 H new ATOM 0 HA HIS A 3 -21.362 4.678 -2.520 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -19.944 3.679 -4.058 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -20.483 5.192 -4.760 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -17.387 3.251 -3.950 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -15.981 7.121 -5.013 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -15.274 4.679 -4.637 1.00 0.00 H new ATOM 36 N GLU A 4 -19.237 3.508 -1.281 1.00 0.00 N ATOM 37 CA GLU A 4 -18.492 2.971 -0.146 1.00 0.00 C ATOM 38 C GLU A 4 -17.030 2.782 -0.577 1.00 0.00 C ATOM 39 O GLU A 4 -16.535 1.664 -0.745 1.00 0.00 O ATOM 40 CB GLU A 4 -19.196 1.697 0.352 1.00 0.00 C ATOM 41 CG GLU A 4 -20.553 2.048 0.992 1.00 0.00 C ATOM 42 CD GLU A 4 -21.487 0.847 1.057 1.00 0.00 C ATOM 43 OE1 GLU A 4 -22.024 0.438 -0.002 1.00 0.00 O ATOM 44 OE2 GLU A 4 -21.735 0.314 2.161 1.00 0.00 O ATOM 0 H GLU A 4 -19.548 2.792 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 4 -18.473 3.649 0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -19.346 1.008 -0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -18.565 1.186 1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -20.389 2.433 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -21.028 2.845 0.419 1.00 0.00 H new ATOM 51 N GLY A 5 -16.355 3.907 -0.810 1.00 0.00 N ATOM 52 CA GLY A 5 -15.031 4.003 -1.388 1.00 0.00 C ATOM 53 C GLY A 5 -14.088 4.630 -0.385 1.00 0.00 C ATOM 54 O GLY A 5 -14.099 5.849 -0.205 1.00 0.00 O ATOM 0 H GLY A 5 -16.746 4.822 -0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.673 3.013 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.062 4.602 -2.298 1.00 0.00 H new ATOM 58 N GLU A 6 -13.298 3.792 0.270 1.00 0.00 N ATOM 59 CA GLU A 6 -12.182 4.164 1.130 1.00 0.00 C ATOM 60 C GLU A 6 -10.866 3.643 0.499 1.00 0.00 C ATOM 61 O GLU A 6 -10.920 2.738 -0.339 1.00 0.00 O ATOM 62 CB GLU A 6 -12.481 3.666 2.562 1.00 0.00 C ATOM 63 CG GLU A 6 -12.215 2.176 2.839 1.00 0.00 C ATOM 64 CD GLU A 6 -13.232 1.192 2.249 1.00 0.00 C ATOM 65 OE1 GLU A 6 -13.397 1.100 1.013 1.00 0.00 O ATOM 66 OE2 GLU A 6 -13.841 0.410 3.013 1.00 0.00 O ATOM 0 H GLU A 6 -13.424 2.781 0.214 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.052 5.243 1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.885 4.255 3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.528 3.873 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.228 1.925 2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.180 2.028 3.918 1.00 0.00 H new ATOM 73 N PRO A 7 -9.680 4.191 0.841 1.00 0.00 N ATOM 74 CA PRO A 7 -8.426 4.036 0.079 1.00 0.00 C ATOM 75 C PRO A 7 -7.723 2.692 0.379 1.00 0.00 C ATOM 76 O PRO A 7 -6.621 2.655 0.938 1.00 0.00 O ATOM 77 CB PRO A 7 -7.573 5.249 0.499 1.00 0.00 C ATOM 78 CG PRO A 7 -7.992 5.389 1.958 1.00 0.00 C ATOM 79 CD PRO A 7 -9.490 5.149 1.916 1.00 0.00 C ATOM 0 HA PRO A 7 -8.599 4.011 -0.997 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.505 5.062 0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.802 6.140 -0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.486 4.662 2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.754 6.377 2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.855 4.757 2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.034 6.074 1.723 1.00 0.00 H new ATOM 87 N VAL A 8 -8.365 1.583 0.016 1.00 0.00 N ATOM 88 CA VAL A 8 -8.054 0.219 0.438 1.00 0.00 C ATOM 89 C VAL A 8 -7.830 -0.685 -0.779 1.00 0.00 C ATOM 90 O VAL A 8 -8.265 -0.393 -1.897 1.00 0.00 O ATOM 91 CB VAL A 8 -9.191 -0.230 1.390 1.00 0.00 C ATOM 92 CG1 VAL A 8 -9.284 -1.738 1.667 1.00 0.00 C ATOM 93 CG2 VAL A 8 -8.991 0.473 2.745 1.00 0.00 C ATOM 0 H VAL A 8 -9.163 1.615 -0.618 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.115 0.156 0.988 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.114 0.040 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.115 -1.933 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.447 -2.271 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.356 -2.082 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.782 0.171 3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.023 0.193 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.027 1.553 2.603 1.00 0.00 H new ATOM 103 N VAL A 9 -7.122 -1.801 -0.586 1.00 0.00 N ATOM 104 CA VAL A 9 -6.765 -2.754 -1.628 1.00 0.00 C ATOM 105 C VAL A 9 -7.952 -3.691 -1.910 1.00 0.00 C ATOM 106 O VAL A 9 -7.887 -4.905 -1.725 1.00 0.00 O ATOM 107 CB VAL A 9 -5.416 -3.448 -1.298 1.00 0.00 C ATOM 108 CG1 VAL A 9 -4.978 -4.348 -2.470 1.00 0.00 C ATOM 109 CG2 VAL A 9 -4.281 -2.451 -1.015 1.00 0.00 C ATOM 0 H VAL A 9 -6.772 -2.071 0.333 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.577 -2.244 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.592 -4.033 -0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.031 -4.829 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.737 -5.110 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.856 -3.742 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.365 -2.997 -0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.123 -1.821 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.549 -1.827 -0.162 1.00 0.00 H new ATOM 119 N GLY A 10 -9.026 -3.128 -2.462 1.00 0.00 N ATOM 120 CA GLY A 10 -10.160 -3.865 -3.003 1.00 0.00 C ATOM 121 C GLY A 10 -10.031 -3.984 -4.512 1.00 0.00 C ATOM 122 O GLY A 10 -10.888 -3.507 -5.254 1.00 0.00 O ATOM 0 H GLY A 10 -9.131 -2.117 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.207 -4.857 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.090 -3.356 -2.748 1.00 0.00 H new ATOM 126 N MET A 11 -8.942 -4.603 -4.970 1.00 0.00 N ATOM 127 CA MET A 11 -8.550 -4.772 -6.369 1.00 0.00 C ATOM 128 C MET A 11 -8.115 -3.475 -7.055 1.00 0.00 C ATOM 129 O MET A 11 -6.974 -3.396 -7.498 1.00 0.00 O ATOM 130 CB MET A 11 -9.595 -5.571 -7.163 1.00 0.00 C ATOM 131 CG MET A 11 -8.879 -6.587 -8.046 1.00 0.00 C ATOM 132 SD MET A 11 -9.961 -7.516 -9.164 1.00 0.00 S ATOM 133 CE MET A 11 -8.944 -9.006 -9.304 1.00 0.00 C ATOM 0 H MET A 11 -8.268 -5.026 -4.333 1.00 0.00 H new ATOM 0 HA MET A 11 -7.643 -5.377 -6.357 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.277 -6.079 -6.482 1.00 0.00 H new ATOM 0 HB3 MET A 11 -10.197 -4.899 -7.775 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.128 -6.066 -8.639 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.348 -7.293 -7.407 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.437 -9.723 -9.961 1.00 0.00 H new ATOM 0 HE2 MET A 11 -7.970 -8.744 -9.718 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.811 -9.450 -8.317 1.00 0.00 H new ATOM 143 N ASP A 12 -8.942 -2.438 -7.066 1.00 0.00 N ATOM 144 CA ASP A 12 -8.682 -1.147 -7.711 1.00 0.00 C ATOM 145 C ASP A 12 -7.380 -0.522 -7.188 1.00 0.00 C ATOM 146 O ASP A 12 -7.299 -0.160 -6.012 1.00 0.00 O ATOM 147 CB ASP A 12 -9.885 -0.222 -7.461 1.00 0.00 C ATOM 148 CG ASP A 12 -10.749 -0.084 -8.708 1.00 0.00 C ATOM 149 OD1 ASP A 12 -10.483 0.795 -9.561 1.00 0.00 O ATOM 150 OD2 ASP A 12 -11.743 -0.834 -8.840 1.00 0.00 O ATOM 0 H ASP A 12 -9.853 -2.470 -6.608 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.555 -1.293 -8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.486 -0.618 -6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.531 0.761 -7.151 1.00 0.00 H new ATOM 155 N LYS A 13 -6.289 -0.499 -7.964 1.00 0.00 N ATOM 156 CA LYS A 13 -5.090 0.292 -7.710 1.00 0.00 C ATOM 157 C LYS A 13 -5.215 1.604 -8.476 1.00 0.00 C ATOM 158 O LYS A 13 -4.696 1.744 -9.584 1.00 0.00 O ATOM 159 CB LYS A 13 -3.839 -0.490 -8.133 1.00 0.00 C ATOM 160 CG LYS A 13 -3.524 -1.714 -7.265 1.00 0.00 C ATOM 161 CD LYS A 13 -3.350 -1.423 -5.774 1.00 0.00 C ATOM 162 CE LYS A 13 -4.236 -2.321 -4.925 1.00 0.00 C ATOM 163 NZ LYS A 13 -5.657 -2.275 -5.332 1.00 0.00 N ATOM 0 H LYS A 13 -6.220 -1.054 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.991 0.506 -6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.963 -0.816 -9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.982 0.183 -8.112 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.326 -2.442 -7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.612 -2.179 -7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.307 -1.568 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.591 -0.379 -5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.876 -3.348 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.152 -2.023 -3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.239 -2.752 -4.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.961 -1.284 -5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.772 -2.756 -6.247 1.00 0.00 H new ATOM 177 N SER A 14 -5.951 2.537 -7.886 1.00 0.00 N ATOM 178 CA SER A 14 -6.491 3.683 -8.609 1.00 0.00 C ATOM 179 C SER A 14 -7.053 4.757 -7.672 1.00 0.00 C ATOM 180 O SER A 14 -7.249 5.894 -8.103 1.00 0.00 O ATOM 181 CB SER A 14 -7.597 3.161 -9.548 1.00 0.00 C ATOM 182 OG SER A 14 -8.262 2.061 -8.946 1.00 0.00 O ATOM 0 H SER A 14 -6.191 2.522 -6.895 1.00 0.00 H new ATOM 0 HA SER A 14 -5.687 4.160 -9.170 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.311 3.957 -9.761 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.164 2.858 -10.501 1.00 0.00 H new ATOM 0 HG SER A 14 -9.077 1.855 -9.450 1.00 0.00 H new ATOM 188 N LEU A 15 -7.312 4.437 -6.393 1.00 0.00 N ATOM 189 CA LEU A 15 -8.199 5.218 -5.527 1.00 0.00 C ATOM 190 C LEU A 15 -7.561 5.553 -4.167 1.00 0.00 C ATOM 191 O LEU A 15 -8.252 6.060 -3.280 1.00 0.00 O ATOM 192 CB LEU A 15 -9.517 4.446 -5.326 1.00 0.00 C ATOM 193 CG LEU A 15 -10.229 3.932 -6.588 1.00 0.00 C ATOM 194 CD1 LEU A 15 -11.356 2.979 -6.203 1.00 0.00 C ATOM 195 CD2 LEU A 15 -10.784 5.080 -7.424 1.00 0.00 C ATOM 0 H LEU A 15 -6.907 3.623 -5.932 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.391 6.171 -6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.313 3.591 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.209 5.093 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.493 3.400 -7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.854 2.621 -7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.945 2.132 -5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.076 3.503 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.280 4.680 -8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.501 5.648 -6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.968 5.734 -7.731 1.00 0.00 H new ATOM 207 N PHE A 16 -6.271 5.274 -3.968 1.00 0.00 N ATOM 208 CA PHE A 16 -5.549 5.500 -2.718 1.00 0.00 C ATOM 209 C PHE A 16 -5.390 7.000 -2.487 1.00 0.00 C ATOM 210 O PHE A 16 -5.956 7.516 -1.519 1.00 0.00 O ATOM 211 CB PHE A 16 -4.186 4.775 -2.703 1.00 0.00 C ATOM 212 CG PHE A 16 -4.315 3.268 -2.717 1.00 0.00 C ATOM 213 CD1 PHE A 16 -4.787 2.613 -3.867 1.00 0.00 C ATOM 214 CD2 PHE A 16 -4.067 2.526 -1.550 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.123 1.257 -3.812 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.360 1.154 -1.514 1.00 0.00 C ATOM 217 CZ PHE A 16 -4.930 0.533 -2.632 1.00 0.00 C ATOM 0 H PHE A 16 -5.683 4.871 -4.698 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.130 5.077 -1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.603 5.092 -3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.630 5.078 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.890 3.157 -4.794 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.651 3.012 -0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.533 0.768 -4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.146 0.578 -0.626 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.221 -0.506 -2.583 1.00 0.00 H new ATOM 227 N ALA A 17 -4.646 7.668 -3.379 1.00 0.00 N ATOM 228 CA ALA A 17 -4.269 9.079 -3.335 1.00 0.00 C ATOM 229 C ALA A 17 -5.496 9.956 -3.107 1.00 0.00 C ATOM 230 O ALA A 17 -6.241 10.262 -4.039 1.00 0.00 O ATOM 231 CB ALA A 17 -3.555 9.501 -4.622 1.00 0.00 C ATOM 0 H ALA A 17 -4.269 7.202 -4.204 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.580 9.212 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.287 10.556 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.652 8.904 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.217 9.344 -5.474 1.00 0.00 H new ATOM 237 N GLY A 18 -5.743 10.303 -1.854 1.00 0.00 N ATOM 238 CA GLY A 18 -6.754 11.244 -1.425 1.00 0.00 C ATOM 239 C GLY A 18 -6.731 11.337 0.091 1.00 0.00 C ATOM 240 O GLY A 18 -6.782 12.433 0.646 1.00 0.00 O ATOM 0 H GLY A 18 -5.215 9.914 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.568 12.224 -1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.737 10.922 -1.768 1.00 0.00 H new ATOM 244 N ASN A 19 -6.612 10.194 0.773 1.00 0.00 N ATOM 245 CA ASN A 19 -6.577 10.161 2.228 1.00 0.00 C ATOM 246 C ASN A 19 -5.182 10.485 2.758 1.00 0.00 C ATOM 247 O ASN A 19 -4.245 9.700 2.594 1.00 0.00 O ATOM 248 CB ASN A 19 -7.032 8.797 2.725 1.00 0.00 C ATOM 249 CG ASN A 19 -7.165 8.753 4.239 1.00 0.00 C ATOM 250 OD1 ASN A 19 -6.885 9.710 4.949 1.00 0.00 O ATOM 251 ND2 ASN A 19 -7.588 7.631 4.774 1.00 0.00 N ATOM 0 H ASN A 19 -6.538 9.277 0.332 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.258 10.924 2.604 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.991 8.548 2.270 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.319 8.038 2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.685 7.553 5.786 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.820 6.837 4.177 1.00 0.00 H new ATOM 258 N THR A 20 -5.043 11.621 3.423 1.00 0.00 N ATOM 259 CA THR A 20 -3.831 12.099 4.072 1.00 0.00 C ATOM 260 C THR A 20 -3.660 11.532 5.502 1.00 0.00 C ATOM 261 O THR A 20 -2.905 12.102 6.291 1.00 0.00 O ATOM 262 CB THR A 20 -3.916 13.637 4.061 1.00 0.00 C ATOM 263 OG1 THR A 20 -5.197 14.056 4.493 1.00 0.00 O ATOM 264 CG2 THR A 20 -3.724 14.239 2.665 1.00 0.00 C ATOM 0 H THR A 20 -5.820 12.273 3.531 1.00 0.00 H new ATOM 0 HA THR A 20 -2.947 11.754 3.536 1.00 0.00 H new ATOM 0 HB THR A 20 -3.118 13.978 4.720 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.241 15.035 4.484 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.795 15.325 2.724 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.743 13.960 2.280 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.497 13.861 1.996 1.00 0.00 H new ATOM 272 N VAL A 21 -4.399 10.486 5.901 1.00 0.00 N ATOM 273 CA VAL A 21 -4.492 9.978 7.274 1.00 0.00 C ATOM 274 C VAL A 21 -4.651 8.440 7.252 1.00 0.00 C ATOM 275 O VAL A 21 -5.500 7.868 7.947 1.00 0.00 O ATOM 276 CB VAL A 21 -5.639 10.679 8.060 1.00 0.00 C ATOM 277 CG1 VAL A 21 -5.346 10.619 9.569 1.00 0.00 C ATOM 278 CG2 VAL A 21 -5.876 12.157 7.706 1.00 0.00 C ATOM 0 H VAL A 21 -4.971 9.951 5.248 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.569 10.214 7.804 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.537 10.131 7.774 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.151 11.111 10.116 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.276 9.578 9.885 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.404 11.126 9.777 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.695 12.549 8.309 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.971 12.729 7.908 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.131 12.242 6.650 1.00 0.00 H new ATOM 288 N ILE A 22 -3.832 7.745 6.459 1.00 0.00 N ATOM 289 CA ILE A 22 -3.828 6.287 6.362 1.00 0.00 C ATOM 290 C ILE A 22 -2.420 5.779 6.637 1.00 0.00 C ATOM 291 O ILE A 22 -1.623 5.572 5.724 1.00 0.00 O ATOM 292 CB ILE A 22 -4.488 5.794 5.061 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.401 4.259 4.992 1.00 0.00 C ATOM 294 CG2 ILE A 22 -3.968 6.480 3.781 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.345 3.642 3.963 1.00 0.00 C ATOM 0 H ILE A 22 -3.141 8.190 5.856 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.463 5.845 7.130 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.536 6.090 5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.377 3.971 4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.627 3.845 5.975 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.487 6.072 2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.152 7.553 3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.898 6.300 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.231 2.558 3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.374 3.900 4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.105 4.027 2.972 1.00 0.00 H new ATOM 307 N ARG A 23 -2.136 5.580 7.925 1.00 0.00 N ATOM 308 CA ARG A 23 -0.825 5.132 8.380 1.00 0.00 C ATOM 309 C ARG A 23 -0.543 3.703 7.969 1.00 0.00 C ATOM 310 O ARG A 23 0.627 3.327 7.953 1.00 0.00 O ATOM 311 CB ARG A 23 -0.673 5.308 9.893 1.00 0.00 C ATOM 312 CG ARG A 23 -0.576 6.797 10.245 1.00 0.00 C ATOM 313 CD ARG A 23 -0.218 6.971 11.720 1.00 0.00 C ATOM 314 NE ARG A 23 -0.238 8.390 12.097 1.00 0.00 N ATOM 315 CZ ARG A 23 -1.295 9.084 12.529 1.00 0.00 C ATOM 316 NH1 ARG A 23 -2.499 8.529 12.579 1.00 0.00 N ATOM 317 NH2 ARG A 23 -1.170 10.344 12.919 1.00 0.00 N ATOM 0 H ARG A 23 -2.808 5.725 8.678 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.083 5.763 7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.524 4.860 10.406 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.219 4.786 10.240 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.179 7.277 9.622 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.525 7.290 10.033 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.924 6.416 12.338 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.770 6.553 11.911 1.00 0.00 H new ATOM 0 HE ARG A 23 0.644 8.897 12.022 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.627 7.561 12.285 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.297 9.071 12.911 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.257 10.798 12.892 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.987 10.860 13.246 1.00 0.00 H new ATOM 331 N GLU A 24 -1.571 2.920 7.644 1.00 0.00 N ATOM 332 CA GLU A 24 -1.437 1.491 7.450 1.00 0.00 C ATOM 333 C GLU A 24 -2.262 1.064 6.253 1.00 0.00 C ATOM 334 O GLU A 24 -3.460 1.344 6.166 1.00 0.00 O ATOM 335 CB GLU A 24 -1.883 0.735 8.708 1.00 0.00 C ATOM 336 CG GLU A 24 -0.690 0.059 9.378 1.00 0.00 C ATOM 337 CD GLU A 24 -1.103 -0.990 10.417 1.00 0.00 C ATOM 338 OE1 GLU A 24 -1.773 -1.987 10.057 1.00 0.00 O ATOM 339 OE2 GLU A 24 -0.709 -0.855 11.596 1.00 0.00 O ATOM 0 H GLU A 24 -2.520 3.268 7.509 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.390 1.252 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.356 1.426 9.406 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.631 -0.013 8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.073 -0.416 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.073 0.817 9.860 1.00 0.00 H new ATOM 346 N ILE A 25 -1.597 0.374 5.339 1.00 0.00 N ATOM 347 CA ILE A 25 -2.168 -0.148 4.111 1.00 0.00 C ATOM 348 C ILE A 25 -1.735 -1.604 4.061 1.00 0.00 C ATOM 349 O ILE A 25 -0.660 -1.936 3.564 1.00 0.00 O ATOM 350 CB ILE A 25 -1.717 0.672 2.878 1.00 0.00 C ATOM 351 CG1 ILE A 25 -2.027 2.170 3.042 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.397 0.136 1.604 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.336 3.060 2.002 1.00 0.00 C ATOM 0 H ILE A 25 -0.606 0.155 5.438 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.255 -0.071 4.092 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.636 0.561 2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.105 2.318 2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.722 2.488 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.071 0.721 0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.122 -0.909 1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.479 0.215 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.601 4.102 2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.255 2.942 2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.659 2.770 1.002 1.00 0.00 H new ATOM 365 N THR A 26 -2.546 -2.487 4.628 1.00 0.00 N ATOM 366 CA THR A 26 -2.395 -3.899 4.298 1.00 0.00 C ATOM 367 C THR A 26 -2.727 -4.076 2.805 1.00 0.00 C ATOM 368 O THR A 26 -3.646 -3.444 2.279 1.00 0.00 O ATOM 369 CB THR A 26 -3.220 -4.791 5.238 1.00 0.00 C ATOM 370 OG1 THR A 26 -2.695 -4.691 6.542 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.105 -6.272 4.857 1.00 0.00 C ATOM 0 H THR A 26 -3.287 -2.265 5.293 1.00 0.00 H new ATOM 0 HA THR A 26 -1.367 -4.227 4.456 1.00 0.00 H new ATOM 0 HB THR A 26 -4.256 -4.460 5.170 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.217 -5.256 7.149 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.702 -6.872 5.544 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.469 -6.415 3.840 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.062 -6.583 4.916 1.00 0.00 H new ATOM 379 N VAL A 27 -1.983 -4.936 2.119 1.00 0.00 N ATOM 380 CA VAL A 27 -2.095 -5.298 0.715 1.00 0.00 C ATOM 381 C VAL A 27 -2.064 -6.824 0.671 1.00 0.00 C ATOM 382 O VAL A 27 -1.612 -7.485 1.610 1.00 0.00 O ATOM 383 CB VAL A 27 -0.927 -4.698 -0.108 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.172 -4.650 -1.627 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.593 -3.255 0.276 1.00 0.00 C ATOM 0 H VAL A 27 -1.221 -5.440 2.572 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.013 -4.906 0.277 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.115 -5.384 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.303 -4.216 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.336 -5.661 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.051 -4.040 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.233 -2.897 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.467 -2.624 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.307 -3.215 1.327 1.00 0.00 H new ATOM 395 N GLN A 28 -2.564 -7.376 -0.424 1.00 0.00 N ATOM 396 CA GLN A 28 -2.525 -8.785 -0.740 1.00 0.00 C ATOM 397 C GLN A 28 -1.723 -8.962 -2.033 1.00 0.00 C ATOM 398 O GLN A 28 -1.451 -7.984 -2.732 1.00 0.00 O ATOM 399 CB GLN A 28 -3.977 -9.292 -0.822 1.00 0.00 C ATOM 400 CG GLN A 28 -4.737 -9.166 0.510 1.00 0.00 C ATOM 401 CD GLN A 28 -5.510 -7.860 0.675 1.00 0.00 C ATOM 402 OE1 GLN A 28 -6.564 -7.667 0.081 1.00 0.00 O ATOM 403 NE2 GLN A 28 -5.067 -6.962 1.540 1.00 0.00 N ATOM 0 H GLN A 28 -3.028 -6.824 -1.145 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.024 -9.381 0.022 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.508 -8.731 -1.591 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.974 -10.336 -1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.434 -10.000 0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.025 -9.259 1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.190 -7.121 2.036 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.603 -6.111 1.711 1.00 0.00 H new ATOM 412 N PRO A 29 -1.267 -10.175 -2.361 1.00 0.00 N ATOM 413 CA PRO A 29 -0.667 -10.442 -3.655 1.00 0.00 C ATOM 414 C PRO A 29 -1.736 -10.486 -4.755 1.00 0.00 C ATOM 415 O PRO A 29 -2.935 -10.526 -4.476 1.00 0.00 O ATOM 416 CB PRO A 29 0.034 -11.786 -3.480 1.00 0.00 C ATOM 417 CG PRO A 29 -0.766 -12.487 -2.388 1.00 0.00 C ATOM 418 CD PRO A 29 -1.213 -11.338 -1.499 1.00 0.00 C ATOM 0 HA PRO A 29 0.031 -9.664 -3.965 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.031 -12.360 -4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.076 -11.656 -3.189 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.615 -13.034 -2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.157 -13.207 -1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.187 -11.542 -1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.514 -11.184 -0.677 1.00 0.00 H new ATOM 426 N ASN A 30 -1.287 -10.561 -6.011 1.00 0.00 N ATOM 427 CA ASN A 30 -2.103 -10.763 -7.217 1.00 0.00 C ATOM 428 C ASN A 30 -3.293 -9.793 -7.354 1.00 0.00 C ATOM 429 O ASN A 30 -4.309 -10.129 -7.974 1.00 0.00 O ATOM 430 CB ASN A 30 -2.556 -12.230 -7.321 1.00 0.00 C ATOM 431 CG ASN A 30 -1.396 -13.207 -7.204 1.00 0.00 C ATOM 432 OD1 ASN A 30 -0.500 -13.248 -8.048 1.00 0.00 O ATOM 433 ND2 ASN A 30 -1.373 -13.979 -6.132 1.00 0.00 N ATOM 0 H ASN A 30 -0.294 -10.479 -6.228 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.454 -10.526 -8.060 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.283 -12.439 -6.537 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.062 -12.384 -8.274 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.600 -14.629 -5.988 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.128 -13.925 -5.448 1.00 0.00 H new ATOM 440 N ILE A 31 -3.195 -8.591 -6.781 1.00 0.00 N ATOM 441 CA ILE A 31 -4.302 -7.640 -6.636 1.00 0.00 C ATOM 442 C ILE A 31 -3.975 -6.269 -7.256 1.00 0.00 C ATOM 443 O ILE A 31 -4.777 -5.338 -7.161 1.00 0.00 O ATOM 444 CB ILE A 31 -4.760 -7.617 -5.163 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.150 -6.979 -5.005 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.729 -6.905 -4.291 1.00 0.00 C ATOM 447 CD1 ILE A 31 -6.952 -7.559 -3.846 1.00 0.00 C ATOM 0 H ILE A 31 -2.318 -8.242 -6.394 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.163 -7.970 -7.218 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.841 -8.651 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.034 -5.905 -4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.711 -7.114 -5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.070 -6.899 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.775 -7.428 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.605 -5.879 -4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.922 -7.065 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.098 -8.628 -4.003 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.411 -7.400 -2.913 1.00 0.00 H new ATOM 459 N GLY A 32 -2.821 -6.141 -7.918 1.00 0.00 N ATOM 460 CA GLY A 32 -2.513 -5.036 -8.815 1.00 0.00 C ATOM 461 C GLY A 32 -1.024 -4.709 -8.856 1.00 0.00 C ATOM 462 O GLY A 32 -0.246 -5.239 -8.056 1.00 0.00 O ATOM 0 H GLY A 32 -2.063 -6.819 -7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.854 -5.283 -9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.066 -4.152 -8.499 1.00 0.00 H new ATOM 466 N LEU A 33 -0.637 -3.831 -9.783 1.00 0.00 N ATOM 467 CA LEU A 33 0.713 -3.307 -9.943 1.00 0.00 C ATOM 468 C LEU A 33 0.808 -2.038 -9.117 1.00 0.00 C ATOM 469 O LEU A 33 0.011 -1.121 -9.314 1.00 0.00 O ATOM 470 CB LEU A 33 1.011 -3.015 -11.428 1.00 0.00 C ATOM 471 CG LEU A 33 2.310 -2.216 -11.678 1.00 0.00 C ATOM 472 CD1 LEU A 33 3.550 -3.044 -11.347 1.00 0.00 C ATOM 473 CD2 LEU A 33 2.379 -1.785 -13.144 1.00 0.00 C ATOM 0 H LEU A 33 -1.287 -3.452 -10.471 1.00 0.00 H new ATOM 0 HA LEU A 33 1.448 -4.037 -9.605 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.073 -3.961 -11.966 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.173 -2.462 -11.851 1.00 0.00 H new ATOM 0 HG LEU A 33 2.292 -1.342 -11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.445 -2.450 -11.535 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.522 -3.337 -10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.569 -3.937 -11.972 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.297 -1.222 -13.315 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.370 -2.668 -13.784 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.519 -1.158 -13.380 1.00 0.00 H new ATOM 485 N LEU A 34 1.789 -2.000 -8.221 1.00 0.00 N ATOM 486 CA LEU A 34 2.185 -0.800 -7.505 1.00 0.00 C ATOM 487 C LEU A 34 3.090 -0.005 -8.436 1.00 0.00 C ATOM 488 O LEU A 34 4.220 -0.428 -8.689 1.00 0.00 O ATOM 489 CB LEU A 34 2.875 -1.187 -6.189 1.00 0.00 C ATOM 490 CG LEU A 34 1.896 -1.895 -5.235 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.413 -3.281 -4.868 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.649 -1.124 -3.941 1.00 0.00 C ATOM 0 H LEU A 34 2.340 -2.821 -7.970 1.00 0.00 H new ATOM 0 HA LEU A 34 1.329 -0.183 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.721 -1.842 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.274 -0.294 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 34 0.953 -1.960 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.707 -3.766 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.521 -3.880 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.381 -3.190 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.950 -1.679 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.591 -0.996 -3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.229 -0.146 -4.175 1.00 0.00 H new ATOM 504 N TYR A 35 2.565 1.074 -9.014 1.00 0.00 N ATOM 505 CA TYR A 35 3.266 1.935 -9.957 1.00 0.00 C ATOM 506 C TYR A 35 3.608 3.275 -9.305 1.00 0.00 C ATOM 507 O TYR A 35 3.240 3.543 -8.157 1.00 0.00 O ATOM 508 CB TYR A 35 2.431 2.094 -11.237 1.00 0.00 C ATOM 509 CG TYR A 35 1.010 2.580 -11.020 1.00 0.00 C ATOM 510 CD1 TYR A 35 0.762 3.919 -10.664 1.00 0.00 C ATOM 511 CD2 TYR A 35 -0.066 1.697 -11.210 1.00 0.00 C ATOM 512 CE1 TYR A 35 -0.552 4.391 -10.528 1.00 0.00 C ATOM 513 CE2 TYR A 35 -1.387 2.158 -11.082 1.00 0.00 C ATOM 514 CZ TYR A 35 -1.630 3.515 -10.768 1.00 0.00 C ATOM 515 OH TYR A 35 -2.902 3.988 -10.724 1.00 0.00 O ATOM 0 H TYR A 35 1.609 1.380 -8.831 1.00 0.00 H new ATOM 0 HA TYR A 35 4.213 1.475 -10.242 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.940 2.793 -11.901 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.396 1.134 -11.751 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.591 4.590 -10.494 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.123 0.662 -11.455 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.736 5.416 -10.242 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.214 1.478 -11.223 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.496 3.296 -10.366 1.00 0.00 H new ATOM 525 N ASP A 36 4.334 4.114 -10.041 1.00 0.00 N ATOM 526 CA ASP A 36 4.778 5.430 -9.616 1.00 0.00 C ATOM 527 C ASP A 36 3.591 6.375 -9.413 1.00 0.00 C ATOM 528 O ASP A 36 2.824 6.655 -10.332 1.00 0.00 O ATOM 529 CB ASP A 36 5.824 5.984 -10.594 1.00 0.00 C ATOM 530 CG ASP A 36 5.245 6.382 -11.941 1.00 0.00 C ATOM 531 OD1 ASP A 36 4.806 5.478 -12.694 1.00 0.00 O ATOM 532 OD2 ASP A 36 5.260 7.593 -12.247 1.00 0.00 O ATOM 0 H ASP A 36 4.639 3.882 -10.986 1.00 0.00 H new ATOM 0 HA ASP A 36 5.265 5.342 -8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.306 6.852 -10.144 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.599 5.233 -10.748 1.00 0.00 H new ATOM 537 N GLY A 37 3.398 6.846 -8.185 1.00 0.00 N ATOM 538 CA GLY A 37 2.382 7.827 -7.860 1.00 0.00 C ATOM 539 C GLY A 37 0.999 7.213 -7.643 1.00 0.00 C ATOM 540 O GLY A 37 0.003 7.908 -7.856 1.00 0.00 O ATOM 0 H GLY A 37 3.952 6.550 -7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.679 8.364 -6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.324 8.561 -8.664 1.00 0.00 H new ATOM 544 N MET A 38 0.901 5.948 -7.210 1.00 0.00 N ATOM 545 CA MET A 38 -0.294 5.472 -6.507 1.00 0.00 C ATOM 546 C MET A 38 -0.460 6.284 -5.228 1.00 0.00 C ATOM 547 O MET A 38 -1.523 6.833 -4.964 1.00 0.00 O ATOM 548 CB MET A 38 -0.184 3.989 -6.113 1.00 0.00 C ATOM 549 CG MET A 38 -0.913 3.059 -7.078 1.00 0.00 C ATOM 550 SD MET A 38 -0.786 1.294 -6.683 1.00 0.00 S ATOM 551 CE MET A 38 -1.478 1.199 -5.009 1.00 0.00 C ATOM 0 H MET A 38 1.628 5.244 -7.334 1.00 0.00 H new ATOM 0 HA MET A 38 -1.144 5.588 -7.180 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.868 3.707 -6.071 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.590 3.854 -5.111 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.967 3.336 -7.100 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.520 3.221 -8.082 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.371 0.183 -4.628 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.945 1.889 -4.355 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.534 1.467 -5.036 1.00 0.00 H new ATOM 561 N PHE A 39 0.597 6.348 -4.418 1.00 0.00 N ATOM 562 CA PHE A 39 0.530 6.873 -3.061 1.00 0.00 C ATOM 563 C PHE A 39 0.799 8.377 -2.994 1.00 0.00 C ATOM 564 O PHE A 39 1.186 8.878 -1.936 1.00 0.00 O ATOM 565 CB PHE A 39 1.502 6.093 -2.173 1.00 0.00 C ATOM 566 CG PHE A 39 1.277 4.598 -2.164 1.00 0.00 C ATOM 567 CD1 PHE A 39 0.076 4.045 -1.681 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.306 3.750 -2.596 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.063 2.649 -1.576 1.00 0.00 C ATOM 570 CE2 PHE A 39 2.180 2.362 -2.468 1.00 0.00 C ATOM 571 CZ PHE A 39 0.999 1.803 -1.950 1.00 0.00 C ATOM 0 H PHE A 39 1.528 6.034 -4.690 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.488 6.738 -2.696 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.520 6.293 -2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.422 6.466 -1.152 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.739 4.692 -1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.201 4.170 -3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.986 2.225 -1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.993 1.718 -2.768 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.907 0.733 -1.840 1.00 0.00 H new ATOM 581 N SER A 40 0.605 9.101 -4.099 1.00 0.00 N ATOM 582 CA SER A 40 0.673 10.553 -4.122 1.00 0.00 C ATOM 583 C SER A 40 -0.157 11.103 -2.954 1.00 0.00 C ATOM 584 O SER A 40 -1.323 10.743 -2.784 1.00 0.00 O ATOM 585 CB SER A 40 0.204 11.043 -5.497 1.00 0.00 C ATOM 586 OG SER A 40 0.328 12.446 -5.625 1.00 0.00 O ATOM 0 H SER A 40 0.395 8.687 -5.007 1.00 0.00 H new ATOM 0 HA SER A 40 1.691 10.918 -3.985 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.789 10.554 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.836 10.755 -5.650 1.00 0.00 H new ATOM 0 HG SER A 40 0.022 12.722 -6.514 1.00 0.00 H new ATOM 592 N GLY A 41 0.479 11.909 -2.103 1.00 0.00 N ATOM 593 CA GLY A 41 -0.208 12.614 -1.033 1.00 0.00 C ATOM 594 C GLY A 41 -0.550 11.744 0.178 1.00 0.00 C ATOM 595 O GLY A 41 -1.306 12.206 1.036 1.00 0.00 O ATOM 0 H GLY A 41 1.483 12.088 -2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.415 13.446 -0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.129 13.043 -1.429 1.00 0.00 H new ATOM 599 N CYS A 42 -0.047 10.511 0.302 1.00 0.00 N ATOM 600 CA CYS A 42 -0.195 9.736 1.538 1.00 0.00 C ATOM 601 C CYS A 42 0.784 10.279 2.595 1.00 0.00 C ATOM 602 O CYS A 42 1.754 9.618 2.972 1.00 0.00 O ATOM 603 CB CYS A 42 -0.030 8.235 1.288 1.00 0.00 C ATOM 604 SG CYS A 42 -1.093 7.675 -0.068 1.00 0.00 S ATOM 0 H CYS A 42 0.465 10.029 -0.437 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.208 9.855 1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.011 8.015 1.052 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.274 7.684 2.196 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.925 6.399 -0.253 1.00 0.00 H new ATOM 610 N THR A 43 0.537 11.503 3.057 1.00 0.00 N ATOM 611 CA THR A 43 1.409 12.321 3.894 1.00 0.00 C ATOM 612 C THR A 43 1.608 11.737 5.294 1.00 0.00 C ATOM 613 O THR A 43 2.647 11.972 5.913 1.00 0.00 O ATOM 614 CB THR A 43 0.789 13.729 3.971 1.00 0.00 C ATOM 615 OG1 THR A 43 -0.621 13.638 4.113 1.00 0.00 O ATOM 616 CG2 THR A 43 1.059 14.541 2.701 1.00 0.00 C ATOM 0 H THR A 43 -0.338 11.981 2.841 1.00 0.00 H new ATOM 0 HA THR A 43 2.403 12.353 3.447 1.00 0.00 H new ATOM 0 HB THR A 43 1.245 14.222 4.829 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.004 14.539 4.163 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.605 15.527 2.796 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.134 14.649 2.560 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.630 14.026 1.842 1.00 0.00 H new ATOM 624 N ALA A 44 0.638 10.952 5.775 1.00 0.00 N ATOM 625 CA ALA A 44 0.707 10.193 7.013 1.00 0.00 C ATOM 626 C ALA A 44 0.468 8.721 6.691 1.00 0.00 C ATOM 627 O ALA A 44 -0.536 8.145 7.108 1.00 0.00 O ATOM 628 CB ALA A 44 -0.298 10.736 8.034 1.00 0.00 C ATOM 0 H ALA A 44 -0.249 10.828 5.287 1.00 0.00 H new ATOM 0 HA ALA A 44 1.693 10.294 7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.232 10.155 8.954 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.072 11.781 8.247 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.307 10.659 7.628 1.00 0.00 H new ATOM 634 N LEU A 45 1.355 8.146 5.881 1.00 0.00 N ATOM 635 CA LEU A 45 1.519 6.715 5.665 1.00 0.00 C ATOM 636 C LEU A 45 2.839 6.340 6.328 1.00 0.00 C ATOM 637 O LEU A 45 3.853 6.971 6.018 1.00 0.00 O ATOM 638 CB LEU A 45 1.561 6.464 4.153 1.00 0.00 C ATOM 639 CG LEU A 45 1.546 5.018 3.607 1.00 0.00 C ATOM 640 CD1 LEU A 45 1.962 5.062 2.134 1.00 0.00 C ATOM 641 CD2 LEU A 45 2.038 3.914 4.519 1.00 0.00 C ATOM 0 H LEU A 45 2.012 8.698 5.330 1.00 0.00 H new ATOM 0 HA LEU A 45 0.707 6.120 6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.709 6.984 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.461 6.946 3.770 1.00 0.00 H new ATOM 0 HG LEU A 45 0.530 4.624 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.959 4.052 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.260 5.681 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.963 5.484 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.969 2.957 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.076 4.104 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.424 3.885 5.419 1.00 0.00 H new ATOM 653 N GLU A 46 2.862 5.302 7.172 1.00 0.00 N ATOM 654 CA GLU A 46 4.116 4.705 7.627 1.00 0.00 C ATOM 655 C GLU A 46 4.233 3.190 7.405 1.00 0.00 C ATOM 656 O GLU A 46 5.367 2.721 7.405 1.00 0.00 O ATOM 657 CB GLU A 46 4.473 5.128 9.053 1.00 0.00 C ATOM 658 CG GLU A 46 3.286 5.159 10.007 1.00 0.00 C ATOM 659 CD GLU A 46 3.675 5.433 11.463 1.00 0.00 C ATOM 660 OE1 GLU A 46 4.805 5.914 11.764 1.00 0.00 O ATOM 661 OE2 GLU A 46 2.839 5.140 12.344 1.00 0.00 O ATOM 0 H GLU A 46 2.025 4.860 7.552 1.00 0.00 H new ATOM 0 HA GLU A 46 4.876 5.123 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.224 4.443 9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.928 6.118 9.024 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.585 5.926 9.677 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.763 4.204 9.953 1.00 0.00 H new ATOM 668 N LYS A 47 3.173 2.418 7.126 1.00 0.00 N ATOM 669 CA LYS A 47 3.266 0.962 6.936 1.00 0.00 C ATOM 670 C LYS A 47 2.478 0.437 5.736 1.00 0.00 C ATOM 671 O LYS A 47 1.382 0.910 5.438 1.00 0.00 O ATOM 672 CB LYS A 47 2.752 0.250 8.187 1.00 0.00 C ATOM 673 CG LYS A 47 3.772 0.134 9.328 1.00 0.00 C ATOM 674 CD LYS A 47 3.354 -1.061 10.197 1.00 0.00 C ATOM 675 CE LYS A 47 4.372 -1.373 11.295 1.00 0.00 C ATOM 676 NZ LYS A 47 3.950 -2.545 12.093 1.00 0.00 N ATOM 0 H LYS A 47 2.227 2.785 7.026 1.00 0.00 H new ATOM 0 HA LYS A 47 4.320 0.754 6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.875 0.782 8.556 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.424 -0.752 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.777 -0.012 8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.793 1.050 9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.386 -0.853 10.652 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.227 -1.939 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.347 -1.566 10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.486 -0.507 11.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.658 -2.736 12.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.030 -2.349 12.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.865 -3.375 11.472 1.00 0.00 H new ATOM 690 N LEU A 48 3.001 -0.634 5.140 1.00 0.00 N ATOM 691 CA LEU A 48 2.504 -1.369 3.988 1.00 0.00 C ATOM 692 C LEU A 48 2.679 -2.854 4.305 1.00 0.00 C ATOM 693 O LEU A 48 3.759 -3.410 4.104 1.00 0.00 O ATOM 694 CB LEU A 48 3.272 -0.974 2.707 1.00 0.00 C ATOM 695 CG LEU A 48 2.621 -1.562 1.438 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.590 -0.577 0.885 1.00 0.00 C ATOM 697 CD2 LEU A 48 3.618 -1.862 0.311 1.00 0.00 C ATOM 0 H LEU A 48 3.867 -1.044 5.489 1.00 0.00 H new ATOM 0 HA LEU A 48 1.455 -1.138 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.307 0.112 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.302 -1.322 2.780 1.00 0.00 H new ATOM 0 HG LEU A 48 2.169 -2.504 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.132 -0.995 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.820 -0.396 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.082 0.363 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.085 -2.273 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.123 -0.942 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.355 -2.585 0.660 1.00 0.00 H new ATOM 709 N ILE A 49 1.656 -3.488 4.873 1.00 0.00 N ATOM 710 CA ILE A 49 1.751 -4.895 5.271 1.00 0.00 C ATOM 711 C ILE A 49 1.315 -5.742 4.077 1.00 0.00 C ATOM 712 O ILE A 49 0.443 -5.329 3.316 1.00 0.00 O ATOM 713 CB ILE A 49 0.940 -5.178 6.556 1.00 0.00 C ATOM 714 CG1 ILE A 49 1.372 -4.237 7.708 1.00 0.00 C ATOM 715 CG2 ILE A 49 1.096 -6.639 7.031 1.00 0.00 C ATOM 716 CD1 ILE A 49 0.337 -3.153 7.979 1.00 0.00 C ATOM 0 H ILE A 49 0.754 -3.054 5.069 1.00 0.00 H new ATOM 0 HA ILE A 49 2.777 -5.156 5.531 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.105 -4.998 6.302 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.530 -4.822 8.614 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.326 -3.773 7.458 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.509 -6.792 7.937 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.744 -7.315 6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.146 -6.843 7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.681 -2.517 8.794 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.198 -2.550 7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.610 -3.616 8.255 1.00 0.00 H new ATOM 728 N LEU A 50 1.909 -6.917 3.888 1.00 0.00 N ATOM 729 CA LEU A 50 1.786 -7.708 2.674 1.00 0.00 C ATOM 730 C LEU A 50 1.406 -9.134 3.058 1.00 0.00 C ATOM 731 O LEU A 50 2.229 -9.830 3.645 1.00 0.00 O ATOM 732 CB LEU A 50 3.134 -7.702 1.931 1.00 0.00 C ATOM 733 CG LEU A 50 3.687 -6.326 1.511 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.946 -6.551 0.677 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.717 -5.497 0.667 1.00 0.00 C ATOM 0 H LEU A 50 2.503 -7.353 4.593 1.00 0.00 H new ATOM 0 HA LEU A 50 1.019 -7.290 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.875 -8.187 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.032 -8.315 1.036 1.00 0.00 H new ATOM 0 HG LEU A 50 3.874 -5.771 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.355 -5.589 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.686 -7.086 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.697 -7.139 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.180 -4.544 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.475 -6.039 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.804 -5.317 1.234 1.00 0.00 H new ATOM 747 N THR A 51 0.196 -9.605 2.736 1.00 0.00 N ATOM 748 CA THR A 51 -0.229 -10.954 3.134 1.00 0.00 C ATOM 749 C THR A 51 0.468 -12.084 2.352 1.00 0.00 C ATOM 750 O THR A 51 0.218 -13.255 2.637 1.00 0.00 O ATOM 751 CB THR A 51 -1.761 -11.114 3.032 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.171 -10.978 1.688 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.524 -10.106 3.898 1.00 0.00 C ATOM 0 H THR A 51 -0.500 -9.080 2.207 1.00 0.00 H new ATOM 0 HA THR A 51 0.080 -11.054 4.174 1.00 0.00 H new ATOM 0 HB THR A 51 -1.998 -12.110 3.405 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.112 -11.238 1.605 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.596 -10.267 3.785 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.245 -10.240 4.943 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.274 -9.093 3.583 1.00 0.00 H new ATOM 761 N GLY A 52 1.274 -11.786 1.328 1.00 0.00 N ATOM 762 CA GLY A 52 1.674 -12.796 0.359 1.00 0.00 C ATOM 763 C GLY A 52 2.907 -13.535 0.838 1.00 0.00 C ATOM 764 O GLY A 52 3.878 -12.916 1.273 1.00 0.00 O ATOM 0 H GLY A 52 1.657 -10.857 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.858 -13.502 0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.876 -12.325 -0.603 1.00 0.00 H new ATOM 768 N GLU A 53 2.871 -14.854 0.711 1.00 0.00 N ATOM 769 CA GLU A 53 3.884 -15.767 1.216 1.00 0.00 C ATOM 770 C GLU A 53 5.169 -15.766 0.392 1.00 0.00 C ATOM 771 O GLU A 53 6.178 -16.272 0.882 1.00 0.00 O ATOM 772 CB GLU A 53 3.266 -17.172 1.249 1.00 0.00 C ATOM 773 CG GLU A 53 2.485 -17.357 2.561 1.00 0.00 C ATOM 774 CD GLU A 53 1.256 -18.255 2.433 1.00 0.00 C ATOM 775 OE1 GLU A 53 0.619 -18.281 1.360 1.00 0.00 O ATOM 776 OE2 GLU A 53 0.765 -18.770 3.468 1.00 0.00 O ATOM 0 H GLU A 53 2.107 -15.334 0.236 1.00 0.00 H new ATOM 0 HA GLU A 53 4.180 -15.437 2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.602 -17.309 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.048 -17.927 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.153 -17.778 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.171 -16.379 2.926 1.00 0.00 H new ATOM 783 N ASP A 54 5.160 -15.207 -0.820 1.00 0.00 N ATOM 784 CA ASP A 54 6.266 -15.240 -1.775 1.00 0.00 C ATOM 785 C ASP A 54 6.392 -13.854 -2.409 1.00 0.00 C ATOM 786 O ASP A 54 5.361 -13.233 -2.692 1.00 0.00 O ATOM 787 CB ASP A 54 5.906 -16.270 -2.863 1.00 0.00 C ATOM 788 CG ASP A 54 7.076 -16.696 -3.753 1.00 0.00 C ATOM 789 OD1 ASP A 54 7.689 -15.840 -4.428 1.00 0.00 O ATOM 790 OD2 ASP A 54 7.346 -17.919 -3.864 1.00 0.00 O ATOM 0 H ASP A 54 4.350 -14.700 -1.175 1.00 0.00 H new ATOM 0 HA ASP A 54 7.205 -15.509 -1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.492 -17.156 -2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.121 -15.853 -3.493 1.00 0.00 H new ATOM 795 N PRO A 55 7.614 -13.377 -2.696 1.00 0.00 N ATOM 796 CA PRO A 55 7.820 -12.085 -3.335 1.00 0.00 C ATOM 797 C PRO A 55 7.247 -12.058 -4.754 1.00 0.00 C ATOM 798 O PRO A 55 6.671 -11.046 -5.162 1.00 0.00 O ATOM 799 CB PRO A 55 9.335 -11.851 -3.312 1.00 0.00 C ATOM 800 CG PRO A 55 9.937 -13.242 -3.110 1.00 0.00 C ATOM 801 CD PRO A 55 8.882 -13.973 -2.305 1.00 0.00 C ATOM 0 HA PRO A 55 7.295 -11.288 -2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.681 -11.401 -4.242 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.620 -11.175 -2.506 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.130 -13.737 -4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.887 -13.194 -2.577 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.896 -15.042 -2.518 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.056 -13.859 -1.235 1.00 0.00 H new ATOM 809 N SER A 56 7.340 -13.170 -5.493 1.00 0.00 N ATOM 810 CA SER A 56 6.929 -13.242 -6.896 1.00 0.00 C ATOM 811 C SER A 56 5.417 -13.067 -7.084 1.00 0.00 C ATOM 812 O SER A 56 4.945 -12.892 -8.208 1.00 0.00 O ATOM 813 CB SER A 56 7.418 -14.563 -7.504 1.00 0.00 C ATOM 814 OG SER A 56 6.872 -15.693 -6.851 1.00 0.00 O ATOM 0 H SER A 56 7.705 -14.050 -5.130 1.00 0.00 H new ATOM 0 HA SER A 56 7.391 -12.407 -7.422 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.152 -14.594 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.506 -14.605 -7.448 1.00 0.00 H new ATOM 0 HG SER A 56 7.437 -15.934 -6.087 1.00 0.00 H new ATOM 820 N ALA A 57 4.638 -13.137 -6.001 1.00 0.00 N ATOM 821 CA ALA A 57 3.203 -12.917 -6.008 1.00 0.00 C ATOM 822 C ALA A 57 2.842 -11.419 -6.127 1.00 0.00 C ATOM 823 O ALA A 57 1.664 -11.084 -6.295 1.00 0.00 O ATOM 824 CB ALA A 57 2.633 -13.572 -4.749 1.00 0.00 C ATOM 0 H ALA A 57 5.005 -13.354 -5.074 1.00 0.00 H new ATOM 0 HA ALA A 57 2.754 -13.374 -6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.553 -13.426 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.855 -14.639 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.084 -13.118 -3.867 1.00 0.00 H new ATOM 830 N TYR A 58 3.823 -10.511 -6.070 1.00 0.00 N ATOM 831 CA TYR A 58 3.669 -9.055 -6.050 1.00 0.00 C ATOM 832 C TYR A 58 4.219 -8.407 -7.337 1.00 0.00 C ATOM 833 O TYR A 58 4.649 -9.122 -8.242 1.00 0.00 O ATOM 834 CB TYR A 58 4.323 -8.535 -4.767 1.00 0.00 C ATOM 835 CG TYR A 58 3.391 -8.557 -3.575 1.00 0.00 C ATOM 836 CD1 TYR A 58 2.492 -7.494 -3.354 1.00 0.00 C ATOM 837 CD2 TYR A 58 3.423 -9.640 -2.678 1.00 0.00 C ATOM 838 CE1 TYR A 58 1.617 -7.522 -2.257 1.00 0.00 C ATOM 839 CE2 TYR A 58 2.550 -9.663 -1.579 1.00 0.00 C ATOM 840 CZ TYR A 58 1.632 -8.613 -1.370 1.00 0.00 C ATOM 841 OH TYR A 58 0.769 -8.645 -0.318 1.00 0.00 O ATOM 0 H TYR A 58 4.803 -10.791 -6.035 1.00 0.00 H new ATOM 0 HA TYR A 58 2.615 -8.777 -6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.203 -9.139 -4.544 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.670 -7.515 -4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.476 -6.654 -4.032 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.118 -10.452 -2.834 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.931 -6.704 -2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.582 -10.492 -0.887 1.00 0.00 H new ATOM 0 HH TYR A 58 0.387 -7.753 -0.181 1.00 0.00 H new ATOM 851 N SER A 59 4.103 -7.077 -7.486 1.00 0.00 N ATOM 852 CA SER A 59 4.540 -6.322 -8.659 1.00 0.00 C ATOM 853 C SER A 59 4.681 -4.839 -8.287 1.00 0.00 C ATOM 854 O SER A 59 3.710 -4.234 -7.818 1.00 0.00 O ATOM 855 CB SER A 59 3.504 -6.406 -9.782 1.00 0.00 C ATOM 856 OG SER A 59 2.860 -7.662 -9.903 1.00 0.00 O ATOM 0 H SER A 59 3.688 -6.484 -6.767 1.00 0.00 H new ATOM 0 HA SER A 59 5.488 -6.745 -8.992 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.747 -5.640 -9.617 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.994 -6.172 -10.727 1.00 0.00 H new ATOM 0 HG SER A 59 2.215 -7.629 -10.640 1.00 0.00 H new ATOM 862 N ALA A 60 5.848 -4.237 -8.501 1.00 0.00 N ATOM 863 CA ALA A 60 6.236 -2.949 -7.914 1.00 0.00 C ATOM 864 C ALA A 60 6.900 -1.969 -8.897 1.00 0.00 C ATOM 865 O ALA A 60 7.303 -0.873 -8.505 1.00 0.00 O ATOM 866 CB ALA A 60 7.180 -3.267 -6.748 1.00 0.00 C ATOM 0 H ALA A 60 6.570 -4.637 -9.101 1.00 0.00 H new ATOM 0 HA ALA A 60 5.332 -2.432 -7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.499 -2.338 -6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.660 -3.886 -6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.053 -3.802 -7.122 1.00 0.00 H new ATOM 872 N GLY A 61 7.026 -2.358 -10.161 1.00 0.00 N ATOM 873 CA GLY A 61 7.623 -1.608 -11.266 1.00 0.00 C ATOM 874 C GLY A 61 8.953 -0.946 -10.900 1.00 0.00 C ATOM 875 O GLY A 61 9.982 -1.618 -10.821 1.00 0.00 O ATOM 0 H GLY A 61 6.690 -3.272 -10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.780 -2.280 -12.109 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.922 -0.841 -11.596 1.00 0.00 H new ATOM 879 N ASP A 62 8.905 0.368 -10.673 1.00 0.00 N ATOM 880 CA ASP A 62 10.031 1.262 -10.348 1.00 0.00 C ATOM 881 C ASP A 62 9.613 2.340 -9.330 1.00 0.00 C ATOM 882 O ASP A 62 10.445 3.111 -8.843 1.00 0.00 O ATOM 883 CB ASP A 62 10.537 1.965 -11.624 1.00 0.00 C ATOM 884 CG ASP A 62 11.852 1.390 -12.144 1.00 0.00 C ATOM 885 OD1 ASP A 62 12.926 1.716 -11.590 1.00 0.00 O ATOM 886 OD2 ASP A 62 11.824 0.634 -13.144 1.00 0.00 O ATOM 0 H ASP A 62 8.021 0.875 -10.713 1.00 0.00 H new ATOM 0 HA ASP A 62 10.821 0.648 -9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.778 1.882 -12.402 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.668 3.027 -11.418 1.00 0.00 H new ATOM 891 N GLY A 63 8.319 2.427 -9.008 1.00 0.00 N ATOM 892 CA GLY A 63 7.715 3.579 -8.343 1.00 0.00 C ATOM 893 C GLY A 63 6.834 3.188 -7.166 1.00 0.00 C ATOM 894 O GLY A 63 5.903 3.921 -6.824 1.00 0.00 O ATOM 0 H GLY A 63 7.651 1.682 -9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.504 4.246 -7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.121 4.139 -9.065 1.00 0.00 H new ATOM 898 N LEU A 64 7.113 2.034 -6.561 1.00 0.00 N ATOM 899 CA LEU A 64 6.360 1.487 -5.449 1.00 0.00 C ATOM 900 C LEU A 64 6.115 2.548 -4.394 1.00 0.00 C ATOM 901 O LEU A 64 4.965 2.791 -4.043 1.00 0.00 O ATOM 902 CB LEU A 64 7.118 0.296 -4.868 1.00 0.00 C ATOM 903 CG LEU A 64 6.606 -0.160 -3.494 1.00 0.00 C ATOM 904 CD1 LEU A 64 5.137 -0.582 -3.524 1.00 0.00 C ATOM 905 CD2 LEU A 64 7.449 -1.334 -3.031 1.00 0.00 C ATOM 0 H LEU A 64 7.893 1.442 -6.845 1.00 0.00 H new ATOM 0 HA LEU A 64 5.386 1.148 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.051 -0.539 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.173 0.556 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 64 6.687 0.685 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.828 -0.895 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.523 0.259 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.011 -1.412 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.099 -1.671 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.363 -2.149 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.492 -1.026 -2.955 1.00 0.00 H new ATOM 917 N ARG A 65 7.177 3.194 -3.911 1.00 0.00 N ATOM 918 CA ARG A 65 7.055 4.278 -2.957 1.00 0.00 C ATOM 919 C ARG A 65 7.396 5.553 -3.711 1.00 0.00 C ATOM 920 O ARG A 65 8.502 6.079 -3.634 1.00 0.00 O ATOM 921 CB ARG A 65 7.840 4.002 -1.658 1.00 0.00 C ATOM 922 CG ARG A 65 9.369 3.786 -1.748 1.00 0.00 C ATOM 923 CD ARG A 65 10.194 4.793 -0.928 1.00 0.00 C ATOM 924 NE ARG A 65 10.316 6.077 -1.623 1.00 0.00 N ATOM 925 CZ ARG A 65 11.408 6.828 -1.744 1.00 0.00 C ATOM 926 NH1 ARG A 65 12.419 6.705 -0.892 1.00 0.00 N ATOM 927 NH2 ARG A 65 11.496 7.700 -2.738 1.00 0.00 N ATOM 0 H ARG A 65 8.138 2.976 -4.173 1.00 0.00 H new ATOM 0 HA ARG A 65 6.042 4.387 -2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.663 4.837 -0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.408 3.117 -1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.604 2.777 -1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.673 3.848 -2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.723 4.947 0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.187 4.384 -0.739 1.00 0.00 H new ATOM 0 HE ARG A 65 9.469 6.436 -2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.365 6.028 -0.131 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.249 7.288 -0.998 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.730 7.793 -3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.330 8.279 -2.836 1.00 0.00 H new ATOM 941 N ASP A 66 6.471 6.000 -4.543 1.00 0.00 N ATOM 942 CA ASP A 66 6.592 7.265 -5.259 1.00 0.00 C ATOM 943 C ASP A 66 5.370 8.098 -4.930 1.00 0.00 C ATOM 944 O ASP A 66 4.252 7.591 -5.046 1.00 0.00 O ATOM 945 CB ASP A 66 6.725 7.020 -6.761 1.00 0.00 C ATOM 946 CG ASP A 66 7.383 8.209 -7.442 1.00 0.00 C ATOM 947 OD1 ASP A 66 8.578 8.441 -7.124 1.00 0.00 O ATOM 948 OD2 ASP A 66 6.720 8.859 -8.282 1.00 0.00 O ATOM 0 H ASP A 66 5.608 5.495 -4.744 1.00 0.00 H new ATOM 0 HA ASP A 66 7.490 7.800 -4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.315 6.121 -6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.740 6.845 -7.195 1.00 0.00 H new ATOM 953 N GLY A 67 5.567 9.322 -4.443 1.00 0.00 N ATOM 954 CA GLY A 67 4.495 10.148 -3.901 1.00 0.00 C ATOM 955 C GLY A 67 4.325 9.966 -2.392 1.00 0.00 C ATOM 956 O GLY A 67 3.656 10.786 -1.757 1.00 0.00 O ATOM 0 H GLY A 67 6.483 9.770 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.703 11.196 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.559 9.899 -4.402 1.00 0.00 H new ATOM 960 N ALA A 68 4.945 8.936 -1.810 1.00 0.00 N ATOM 961 CA ALA A 68 5.083 8.686 -0.383 1.00 0.00 C ATOM 962 C ALA A 68 6.345 7.859 -0.144 1.00 0.00 C ATOM 963 O ALA A 68 6.943 7.337 -1.086 1.00 0.00 O ATOM 964 CB ALA A 68 3.866 7.913 0.141 1.00 0.00 C ATOM 0 H ALA A 68 5.393 8.208 -2.367 1.00 0.00 H new ATOM 0 HA ALA A 68 5.151 9.638 0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.982 7.733 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.962 8.497 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.788 6.960 -0.382 1.00 0.00 H new ATOM 970 N ASP A 69 6.695 7.690 1.129 1.00 0.00 N ATOM 971 CA ASP A 69 7.748 6.833 1.632 1.00 0.00 C ATOM 972 C ASP A 69 7.201 6.243 2.922 1.00 0.00 C ATOM 973 O ASP A 69 6.881 6.965 3.866 1.00 0.00 O ATOM 974 CB ASP A 69 9.049 7.600 1.860 1.00 0.00 C ATOM 975 CG ASP A 69 10.204 6.662 2.234 1.00 0.00 C ATOM 976 OD1 ASP A 69 10.040 5.734 3.058 1.00 0.00 O ATOM 977 OD2 ASP A 69 11.296 6.820 1.650 1.00 0.00 O ATOM 0 H ASP A 69 6.214 8.184 1.881 1.00 0.00 H new ATOM 0 HA ASP A 69 8.007 6.054 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.308 8.154 0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.905 8.333 2.653 1.00 0.00 H new ATOM 982 N PHE A 70 6.946 4.947 2.874 1.00 0.00 N ATOM 983 CA PHE A 70 6.299 4.115 3.882 1.00 0.00 C ATOM 984 C PHE A 70 7.240 2.954 4.227 1.00 0.00 C ATOM 985 O PHE A 70 8.364 2.884 3.729 1.00 0.00 O ATOM 986 CB PHE A 70 4.948 3.687 3.285 1.00 0.00 C ATOM 987 CG PHE A 70 5.061 3.002 1.946 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.486 1.664 1.858 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.759 3.723 0.780 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.524 1.035 0.609 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.769 3.074 -0.456 1.00 0.00 C ATOM 992 CZ PHE A 70 5.109 1.722 -0.537 1.00 0.00 C ATOM 0 H PHE A 70 7.209 4.398 2.056 1.00 0.00 H new ATOM 0 HA PHE A 70 6.102 4.627 4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.449 3.016 3.984 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.313 4.567 3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.781 1.127 2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.520 4.775 0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.875 0.017 0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.513 3.619 -1.352 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.052 1.207 -1.484 1.00 0.00 H new ATOM 1002 N LEU A 71 6.838 2.054 5.112 1.00 0.00 N ATOM 1003 CA LEU A 71 7.619 0.883 5.530 1.00 0.00 C ATOM 1004 C LEU A 71 6.902 -0.366 5.041 1.00 0.00 C ATOM 1005 O LEU A 71 5.689 -0.319 4.865 1.00 0.00 O ATOM 1006 CB LEU A 71 7.730 0.866 7.064 1.00 0.00 C ATOM 1007 CG LEU A 71 8.819 -0.054 7.629 1.00 0.00 C ATOM 1008 CD1 LEU A 71 10.205 0.530 7.374 1.00 0.00 C ATOM 1009 CD2 LEU A 71 8.653 -0.161 9.142 1.00 0.00 C ATOM 0 H LEU A 71 5.932 2.114 5.578 1.00 0.00 H new ATOM 0 HA LEU A 71 8.623 0.920 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.920 1.882 7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.769 0.562 7.479 1.00 0.00 H new ATOM 0 HG LEU A 71 8.724 -1.025 7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.962 -0.139 7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.361 0.642 6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.283 1.505 7.856 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.426 -0.814 9.547 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.744 0.829 9.589 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.671 -0.574 9.372 1.00 0.00 H new ATOM 1021 N ILE A 72 7.616 -1.465 4.825 1.00 0.00 N ATOM 1022 CA ILE A 72 7.065 -2.682 4.247 1.00 0.00 C ATOM 1023 C ILE A 72 7.171 -3.799 5.283 1.00 0.00 C ATOM 1024 O ILE A 72 8.217 -3.993 5.904 1.00 0.00 O ATOM 1025 CB ILE A 72 7.747 -2.980 2.893 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.544 -1.760 1.956 1.00 0.00 C ATOM 1027 CG2 ILE A 72 7.169 -4.259 2.267 1.00 0.00 C ATOM 1028 CD1 ILE A 72 7.997 -1.907 0.501 1.00 0.00 C ATOM 0 H ILE A 72 8.608 -1.535 5.050 1.00 0.00 H new ATOM 0 HA ILE A 72 6.006 -2.577 4.010 1.00 0.00 H new ATOM 0 HB ILE A 72 8.814 -3.145 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.483 -1.509 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.072 -0.911 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.662 -4.452 1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.336 -5.101 2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.099 -4.132 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.796 -0.981 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.066 -2.119 0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.452 -2.726 0.031 1.00 0.00 H new ATOM 1040 N CYS A 73 6.074 -4.524 5.498 1.00 0.00 N ATOM 1041 CA CYS A 73 5.952 -5.518 6.554 1.00 0.00 C ATOM 1042 C CYS A 73 5.467 -6.821 5.921 1.00 0.00 C ATOM 1043 O CYS A 73 4.467 -6.812 5.205 1.00 0.00 O ATOM 1044 CB CYS A 73 4.984 -5.025 7.641 1.00 0.00 C ATOM 1045 SG CYS A 73 5.226 -3.259 8.027 1.00 0.00 S ATOM 0 H CYS A 73 5.232 -4.432 4.930 1.00 0.00 H new ATOM 0 HA CYS A 73 6.915 -5.686 7.036 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.958 -5.186 7.312 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.125 -5.616 8.546 1.00 0.00 H new ATOM 0 HG CYS A 73 6.004 -3.144 9.062 1.00 0.00 H new ATOM 1051 N VAL A 74 6.164 -7.928 6.152 1.00 0.00 N ATOM 1052 CA VAL A 74 5.841 -9.233 5.569 1.00 0.00 C ATOM 1053 C VAL A 74 5.720 -10.261 6.695 1.00 0.00 C ATOM 1054 O VAL A 74 6.290 -10.041 7.767 1.00 0.00 O ATOM 1055 CB VAL A 74 6.913 -9.638 4.535 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.914 -8.703 3.321 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.335 -9.678 5.111 1.00 0.00 C ATOM 0 H VAL A 74 6.983 -7.948 6.759 1.00 0.00 H new ATOM 0 HA VAL A 74 4.889 -9.183 5.040 1.00 0.00 H new ATOM 0 HB VAL A 74 6.635 -10.648 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.682 -9.022 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.939 -8.737 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.121 -7.684 3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.036 -9.970 4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.603 -8.691 5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.378 -10.402 5.925 1.00 0.00 H new ATOM 1067 N PRO A 75 5.002 -11.377 6.506 1.00 0.00 N ATOM 1068 CA PRO A 75 4.951 -12.411 7.524 1.00 0.00 C ATOM 1069 C PRO A 75 6.338 -13.042 7.682 1.00 0.00 C ATOM 1070 O PRO A 75 7.123 -13.077 6.732 1.00 0.00 O ATOM 1071 CB PRO A 75 3.938 -13.442 7.024 1.00 0.00 C ATOM 1072 CG PRO A 75 3.855 -13.212 5.514 1.00 0.00 C ATOM 1073 CD PRO A 75 4.207 -11.738 5.342 1.00 0.00 C ATOM 0 HA PRO A 75 4.658 -12.018 8.497 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.263 -14.457 7.252 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.967 -13.304 7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.551 -13.854 4.974 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.858 -13.431 5.132 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.767 -11.576 4.421 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.307 -11.127 5.279 1.00 0.00 H new ATOM 1081 N GLU A 76 6.627 -13.576 8.869 1.00 0.00 N ATOM 1082 CA GLU A 76 7.946 -14.132 9.169 1.00 0.00 C ATOM 1083 C GLU A 76 8.343 -15.271 8.218 1.00 0.00 C ATOM 1084 O GLU A 76 9.527 -15.394 7.898 1.00 0.00 O ATOM 1085 CB GLU A 76 8.096 -14.540 10.644 1.00 0.00 C ATOM 1086 CG GLU A 76 7.529 -15.927 10.957 1.00 0.00 C ATOM 1087 CD GLU A 76 7.707 -16.288 12.426 1.00 0.00 C ATOM 1088 OE1 GLU A 76 6.805 -15.988 13.232 1.00 0.00 O ATOM 1089 OE2 GLU A 76 8.749 -16.895 12.789 1.00 0.00 O ATOM 0 H GLU A 76 5.963 -13.635 9.641 1.00 0.00 H new ATOM 0 HA GLU A 76 8.653 -13.321 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.152 -14.519 10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.594 -13.802 11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.470 -15.954 10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.026 -16.672 10.336 1.00 0.00 H new ATOM 1096 N GLU A 77 7.387 -16.080 7.738 1.00 0.00 N ATOM 1097 CA GLU A 77 7.654 -17.181 6.828 1.00 0.00 C ATOM 1098 C GLU A 77 8.246 -16.656 5.518 1.00 0.00 C ATOM 1099 O GLU A 77 9.105 -17.289 4.895 1.00 0.00 O ATOM 1100 CB GLU A 77 6.330 -17.887 6.509 1.00 0.00 C ATOM 1101 CG GLU A 77 5.876 -18.931 7.538 1.00 0.00 C ATOM 1102 CD GLU A 77 4.478 -19.502 7.231 1.00 0.00 C ATOM 1103 OE1 GLU A 77 4.139 -19.725 6.037 1.00 0.00 O ATOM 1104 OE2 GLU A 77 3.732 -19.786 8.195 1.00 0.00 O ATOM 0 H GLU A 77 6.401 -15.980 7.979 1.00 0.00 H new ATOM 0 HA GLU A 77 8.360 -17.866 7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.549 -17.132 6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.422 -18.375 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.599 -19.746 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.869 -18.478 8.530 1.00 0.00 H new ATOM 1111 N ALA A 78 7.751 -15.499 5.077 1.00 0.00 N ATOM 1112 CA ALA A 78 8.117 -14.883 3.820 1.00 0.00 C ATOM 1113 C ALA A 78 9.323 -13.940 3.983 1.00 0.00 C ATOM 1114 O ALA A 78 9.810 -13.417 2.989 1.00 0.00 O ATOM 1115 CB ALA A 78 6.904 -14.100 3.323 1.00 0.00 C ATOM 0 H ALA A 78 7.067 -14.957 5.605 1.00 0.00 H new ATOM 0 HA ALA A 78 8.408 -15.653 3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.144 -13.621 2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.064 -14.780 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.637 -13.339 4.056 1.00 0.00 H new ATOM 1121 N LEU A 79 9.803 -13.676 5.201 1.00 0.00 N ATOM 1122 CA LEU A 79 10.715 -12.568 5.482 1.00 0.00 C ATOM 1123 C LEU A 79 12.073 -12.743 4.798 1.00 0.00 C ATOM 1124 O LEU A 79 12.469 -11.920 3.969 1.00 0.00 O ATOM 1125 CB LEU A 79 10.835 -12.413 6.998 1.00 0.00 C ATOM 1126 CG LEU A 79 11.730 -11.254 7.465 1.00 0.00 C ATOM 1127 CD1 LEU A 79 11.143 -9.882 7.130 1.00 0.00 C ATOM 1128 CD2 LEU A 79 11.891 -11.405 8.978 1.00 0.00 C ATOM 0 H LEU A 79 9.567 -14.230 6.024 1.00 0.00 H new ATOM 0 HA LEU A 79 10.307 -11.649 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.837 -12.272 7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.224 -13.343 7.413 1.00 0.00 H new ATOM 0 HG LEU A 79 12.687 -11.303 6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.817 -9.102 7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.019 -9.793 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.174 -9.772 7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.522 -10.602 9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.912 -11.355 9.455 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.354 -12.366 9.200 1.00 0.00 H new ATOM 1140 N ASP A 80 12.792 -13.815 5.133 1.00 0.00 N ATOM 1141 CA ASP A 80 14.056 -14.178 4.480 1.00 0.00 C ATOM 1142 C ASP A 80 13.824 -14.455 2.996 1.00 0.00 C ATOM 1143 O ASP A 80 14.634 -14.099 2.149 1.00 0.00 O ATOM 1144 CB ASP A 80 14.612 -15.423 5.161 1.00 0.00 C ATOM 1145 CG ASP A 80 15.902 -15.967 4.556 1.00 0.00 C ATOM 1146 OD1 ASP A 80 16.908 -15.233 4.424 1.00 0.00 O ATOM 1147 OD2 ASP A 80 15.931 -17.187 4.271 1.00 0.00 O ATOM 0 H ASP A 80 12.514 -14.462 5.870 1.00 0.00 H new ATOM 0 HA ASP A 80 14.766 -13.355 4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.789 -15.195 6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.854 -16.206 5.128 1.00 0.00 H new ATOM 1152 N ARG A 81 12.675 -15.048 2.681 1.00 0.00 N ATOM 1153 CA ARG A 81 12.190 -15.317 1.329 1.00 0.00 C ATOM 1154 C ARG A 81 12.234 -14.060 0.454 1.00 0.00 C ATOM 1155 O ARG A 81 12.878 -14.080 -0.591 1.00 0.00 O ATOM 1156 CB ARG A 81 10.771 -15.907 1.422 1.00 0.00 C ATOM 1157 CG ARG A 81 10.578 -17.172 0.586 1.00 0.00 C ATOM 1158 CD ARG A 81 9.162 -17.711 0.814 1.00 0.00 C ATOM 1159 NE ARG A 81 8.991 -18.286 2.159 1.00 0.00 N ATOM 1160 CZ ARG A 81 8.526 -19.501 2.475 1.00 0.00 C ATOM 1161 NH1 ARG A 81 8.098 -20.353 1.549 1.00 0.00 N ATOM 1162 NH2 ARG A 81 8.496 -19.845 3.757 1.00 0.00 N ATOM 0 H ARG A 81 12.024 -15.370 3.397 1.00 0.00 H new ATOM 0 HA ARG A 81 12.845 -16.042 0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.548 -16.133 2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.052 -15.155 1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.731 -16.952 -0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.316 -17.924 0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.442 -16.905 0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.941 -18.472 0.066 1.00 0.00 H new ATOM 0 HE ARG A 81 9.258 -17.689 2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.118 -20.088 0.564 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.750 -21.272 1.823 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.822 -19.191 4.468 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.147 -20.764 4.030 1.00 0.00 H new ATOM 1176 N TYR A 82 11.562 -12.981 0.865 1.00 0.00 N ATOM 1177 CA TYR A 82 11.524 -11.701 0.161 1.00 0.00 C ATOM 1178 C TYR A 82 12.917 -11.089 0.125 1.00 0.00 C ATOM 1179 O TYR A 82 13.333 -10.568 -0.909 1.00 0.00 O ATOM 1180 CB TYR A 82 10.576 -10.714 0.858 1.00 0.00 C ATOM 1181 CG TYR A 82 9.109 -10.786 0.473 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.389 -11.993 0.552 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.436 -9.603 0.116 1.00 0.00 C ATOM 1184 CE1 TYR A 82 7.000 -12.010 0.342 1.00 0.00 C ATOM 1185 CE2 TYR A 82 7.044 -9.614 -0.074 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.315 -10.810 0.074 1.00 0.00 C ATOM 1187 OH TYR A 82 4.960 -10.799 0.025 1.00 0.00 O ATOM 0 H TYR A 82 11.013 -12.977 1.724 1.00 0.00 H new ATOM 0 HA TYR A 82 11.164 -11.888 -0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.653 -10.871 1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 82 10.931 -9.703 0.657 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.908 -12.913 0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.990 -8.685 -0.012 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.458 -12.943 0.386 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.530 -8.701 -0.335 1.00 0.00 H new ATOM 0 HH TYR A 82 4.615 -11.670 0.314 1.00 0.00 H new ATOM 1197 N ARG A 83 13.653 -11.143 1.241 1.00 0.00 N ATOM 1198 CA ARG A 83 15.030 -10.664 1.271 1.00 0.00 C ATOM 1199 C ARG A 83 15.865 -11.341 0.180 1.00 0.00 C ATOM 1200 O ARG A 83 16.688 -10.679 -0.456 1.00 0.00 O ATOM 1201 CB ARG A 83 15.644 -10.871 2.669 1.00 0.00 C ATOM 1202 CG ARG A 83 15.316 -9.713 3.637 1.00 0.00 C ATOM 1203 CD ARG A 83 16.315 -9.618 4.801 1.00 0.00 C ATOM 1204 NE ARG A 83 17.679 -9.366 4.302 1.00 0.00 N ATOM 1205 CZ ARG A 83 18.792 -9.176 5.016 1.00 0.00 C ATOM 1206 NH1 ARG A 83 18.763 -9.068 6.336 1.00 0.00 N ATOM 1207 NH2 ARG A 83 19.962 -9.119 4.399 1.00 0.00 N ATOM 0 H ARG A 83 13.315 -11.513 2.130 1.00 0.00 H new ATOM 0 HA ARG A 83 15.031 -9.594 1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.275 -11.807 3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.726 -10.967 2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.315 -8.773 3.086 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.311 -9.850 4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.017 -8.817 5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.299 -10.544 5.376 1.00 0.00 H new ATOM 0 HE ARG A 83 17.786 -9.333 3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.875 -9.130 6.833 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.629 -8.923 6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 83 20.009 -9.220 3.385 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.816 -8.974 4.938 1.00 0.00 H new ATOM 1221 N ARG A 84 15.649 -12.634 -0.048 1.00 0.00 N ATOM 1222 CA ARG A 84 16.343 -13.445 -1.044 1.00 0.00 C ATOM 1223 C ARG A 84 15.798 -13.295 -2.467 1.00 0.00 C ATOM 1224 O ARG A 84 16.235 -14.055 -3.336 1.00 0.00 O ATOM 1225 CB ARG A 84 16.296 -14.907 -0.581 1.00 0.00 C ATOM 1226 CG ARG A 84 17.228 -15.123 0.613 1.00 0.00 C ATOM 1227 CD ARG A 84 16.944 -16.483 1.235 1.00 0.00 C ATOM 1228 NE ARG A 84 17.965 -16.791 2.239 1.00 0.00 N ATOM 1229 CZ ARG A 84 18.776 -17.848 2.255 1.00 0.00 C ATOM 1230 NH1 ARG A 84 18.569 -18.862 1.421 1.00 0.00 N ATOM 1231 NH2 ARG A 84 19.798 -17.892 3.098 1.00 0.00 N ATOM 0 H ARG A 84 14.957 -13.167 0.478 1.00 0.00 H new ATOM 0 HA ARG A 84 17.371 -13.088 -1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.276 -15.175 -0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.588 -15.563 -1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.268 -15.068 0.292 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.080 -14.335 1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.956 -16.484 1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 84 16.936 -17.252 0.463 1.00 0.00 H new ATOM 0 HE ARG A 84 18.066 -16.127 3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.787 -18.832 0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.192 -19.670 1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 84 19.966 -17.115 3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 84 20.417 -18.703 3.107 1.00 0.00 H new ATOM 1245 N ASP A 85 14.885 -12.364 -2.746 1.00 0.00 N ATOM 1246 CA ASP A 85 14.445 -12.084 -4.112 1.00 0.00 C ATOM 1247 C ASP A 85 15.595 -11.536 -4.956 1.00 0.00 C ATOM 1248 O ASP A 85 16.698 -11.279 -4.473 1.00 0.00 O ATOM 1249 CB ASP A 85 13.286 -11.073 -4.098 1.00 0.00 C ATOM 1250 CG ASP A 85 12.661 -10.914 -5.483 1.00 0.00 C ATOM 1251 OD1 ASP A 85 12.548 -11.911 -6.222 1.00 0.00 O ATOM 1252 OD2 ASP A 85 12.454 -9.763 -5.914 1.00 0.00 O ATOM 0 H ASP A 85 14.433 -11.787 -2.037 1.00 0.00 H new ATOM 0 HA ASP A 85 14.105 -13.020 -4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.525 -11.401 -3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.650 -10.106 -3.749 1.00 0.00 H new ATOM 1257 N TYR A 86 15.345 -11.342 -6.242 1.00 0.00 N ATOM 1258 CA TYR A 86 16.147 -10.541 -7.137 1.00 0.00 C ATOM 1259 C TYR A 86 15.915 -9.043 -6.909 1.00 0.00 C ATOM 1260 O TYR A 86 16.857 -8.322 -6.571 1.00 0.00 O ATOM 1261 CB TYR A 86 15.784 -10.977 -8.554 1.00 0.00 C ATOM 1262 CG TYR A 86 16.728 -10.421 -9.592 1.00 0.00 C ATOM 1263 CD1 TYR A 86 17.982 -11.028 -9.771 1.00 0.00 C ATOM 1264 CD2 TYR A 86 16.395 -9.262 -10.318 1.00 0.00 C ATOM 1265 CE1 TYR A 86 18.910 -10.487 -10.674 1.00 0.00 C ATOM 1266 CE2 TYR A 86 17.320 -8.719 -11.224 1.00 0.00 C ATOM 1267 CZ TYR A 86 18.579 -9.330 -11.409 1.00 0.00 C ATOM 1268 OH TYR A 86 19.491 -8.786 -12.260 1.00 0.00 O ATOM 0 H TYR A 86 14.539 -11.761 -6.706 1.00 0.00 H new ATOM 0 HA TYR A 86 17.211 -10.695 -6.957 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.791 -12.066 -8.608 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.768 -10.653 -8.781 1.00 0.00 H new ATOM 0 HD1 TYR A 86 18.233 -11.916 -9.210 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.432 -8.793 -10.179 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.874 -10.955 -10.806 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.067 -7.830 -11.782 1.00 0.00 H new ATOM 0 HH TYR A 86 19.106 -7.994 -12.690 1.00 0.00 H new ATOM 1278 N PHE A 87 14.682 -8.567 -7.086 1.00 0.00 N ATOM 1279 CA PHE A 87 14.330 -7.154 -7.082 1.00 0.00 C ATOM 1280 C PHE A 87 14.247 -6.647 -5.646 1.00 0.00 C ATOM 1281 O PHE A 87 14.982 -5.731 -5.282 1.00 0.00 O ATOM 1282 CB PHE A 87 13.000 -6.966 -7.822 1.00 0.00 C ATOM 1283 CG PHE A 87 12.496 -5.540 -7.904 1.00 0.00 C ATOM 1284 CD1 PHE A 87 12.968 -4.682 -8.916 1.00 0.00 C ATOM 1285 CD2 PHE A 87 11.498 -5.090 -7.016 1.00 0.00 C ATOM 1286 CE1 PHE A 87 12.419 -3.398 -9.063 1.00 0.00 C ATOM 1287 CE2 PHE A 87 10.971 -3.794 -7.148 1.00 0.00 C ATOM 1288 CZ PHE A 87 11.418 -2.955 -8.182 1.00 0.00 C ATOM 0 H PHE A 87 13.879 -9.176 -7.241 1.00 0.00 H new ATOM 0 HA PHE A 87 15.096 -6.573 -7.596 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.110 -7.353 -8.835 1.00 0.00 H new ATOM 0 HB3 PHE A 87 12.241 -7.574 -7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 87 13.753 -5.012 -9.580 1.00 0.00 H new ATOM 0 HD2 PHE A 87 11.138 -5.742 -6.234 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.767 -2.750 -9.854 1.00 0.00 H new ATOM 0 HE2 PHE A 87 10.222 -3.443 -6.454 1.00 0.00 H new ATOM 0 HZ PHE A 87 10.992 -1.969 -8.300 1.00 0.00 H new ATOM 1298 N TRP A 88 13.402 -7.263 -4.806 1.00 0.00 N ATOM 1299 CA TRP A 88 13.049 -6.763 -3.472 1.00 0.00 C ATOM 1300 C TRP A 88 14.246 -6.535 -2.540 1.00 0.00 C ATOM 1301 O TRP A 88 14.144 -5.746 -1.602 1.00 0.00 O ATOM 1302 CB TRP A 88 12.001 -7.676 -2.823 1.00 0.00 C ATOM 1303 CG TRP A 88 10.648 -7.581 -3.453 1.00 0.00 C ATOM 1304 CD1 TRP A 88 10.058 -8.480 -4.269 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.709 -6.482 -3.340 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.810 -8.029 -4.646 1.00 0.00 N ATOM 1307 CE2 TRP A 88 8.564 -6.772 -4.138 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.724 -5.268 -2.628 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 7.484 -5.884 -4.229 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 8.629 -4.393 -2.680 1.00 0.00 C ATOM 1311 CH2 TRP A 88 7.510 -4.702 -3.473 1.00 0.00 C ATOM 0 H TRP A 88 12.937 -8.140 -5.041 1.00 0.00 H new ATOM 0 HA TRP A 88 12.624 -5.771 -3.625 1.00 0.00 H new ATOM 0 HB2 TRP A 88 12.347 -8.708 -2.879 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.918 -7.425 -1.766 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.499 -9.415 -4.581 1.00 0.00 H new ATOM 0 HE1 TRP A 88 8.156 -8.556 -5.224 1.00 0.00 H new ATOM 0 HE3 TRP A 88 10.588 -5.007 -2.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 6.644 -6.106 -4.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.646 -3.477 -2.108 1.00 0.00 H new ATOM 0 HH2 TRP A 88 6.667 -4.027 -3.500 1.00 0.00 H new ATOM 1322 N GLN A 89 15.404 -7.115 -2.859 1.00 0.00 N ATOM 1323 CA GLN A 89 16.700 -6.775 -2.286 1.00 0.00 C ATOM 1324 C GLN A 89 16.953 -5.276 -2.184 1.00 0.00 C ATOM 1325 O GLN A 89 17.437 -4.802 -1.156 1.00 0.00 O ATOM 1326 CB GLN A 89 17.790 -7.371 -3.184 1.00 0.00 C ATOM 1327 CG GLN A 89 18.039 -8.831 -2.842 1.00 0.00 C ATOM 1328 CD GLN A 89 19.109 -9.470 -3.724 1.00 0.00 C ATOM 1329 OE1 GLN A 89 20.048 -10.096 -3.233 1.00 0.00 O ATOM 1330 NE2 GLN A 89 19.008 -9.386 -5.038 1.00 0.00 N ATOM 0 H GLN A 89 15.463 -7.863 -3.550 1.00 0.00 H new ATOM 0 HA GLN A 89 16.714 -7.177 -1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.493 -7.284 -4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.713 -6.804 -3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 89 18.341 -8.909 -1.798 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.108 -9.388 -2.947 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.235 -8.870 -5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.703 -9.837 -5.633 1.00 0.00 H new ATOM 1339 N THR A 90 16.682 -4.521 -3.237 1.00 0.00 N ATOM 1340 CA THR A 90 16.971 -3.093 -3.227 1.00 0.00 C ATOM 1341 C THR A 90 16.080 -2.369 -2.200 1.00 0.00 C ATOM 1342 O THR A 90 16.527 -1.443 -1.522 1.00 0.00 O ATOM 1343 CB THR A 90 16.905 -2.560 -4.669 1.00 0.00 C ATOM 1344 OG1 THR A 90 17.595 -1.331 -4.775 1.00 0.00 O ATOM 1345 CG2 THR A 90 15.473 -2.441 -5.170 1.00 0.00 C ATOM 0 H THR A 90 16.267 -4.867 -4.102 1.00 0.00 H new ATOM 0 HA THR A 90 17.986 -2.890 -2.884 1.00 0.00 H new ATOM 0 HB THR A 90 17.400 -3.287 -5.313 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.545 -1.006 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.475 -2.061 -6.192 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.997 -3.422 -5.149 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.919 -1.755 -4.529 1.00 0.00 H new ATOM 1353 N TYR A 91 14.853 -2.846 -1.968 1.00 0.00 N ATOM 1354 CA TYR A 91 13.950 -2.292 -0.966 1.00 0.00 C ATOM 1355 C TYR A 91 14.230 -2.845 0.440 1.00 0.00 C ATOM 1356 O TYR A 91 13.528 -2.493 1.389 1.00 0.00 O ATOM 1357 CB TYR A 91 12.495 -2.488 -1.419 1.00 0.00 C ATOM 1358 CG TYR A 91 12.127 -1.556 -2.557 1.00 0.00 C ATOM 1359 CD1 TYR A 91 11.768 -0.221 -2.276 1.00 0.00 C ATOM 1360 CD2 TYR A 91 12.238 -1.980 -3.892 1.00 0.00 C ATOM 1361 CE1 TYR A 91 11.560 0.701 -3.316 1.00 0.00 C ATOM 1362 CE2 TYR A 91 12.023 -1.063 -4.936 1.00 0.00 C ATOM 1363 CZ TYR A 91 11.704 0.284 -4.657 1.00 0.00 C ATOM 1364 OH TYR A 91 11.590 1.171 -5.683 1.00 0.00 O ATOM 0 H TYR A 91 14.459 -3.636 -2.479 1.00 0.00 H new ATOM 0 HA TYR A 91 14.130 -1.220 -0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.349 -3.521 -1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.826 -2.314 -0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.652 0.096 -1.250 1.00 0.00 H new ATOM 0 HD2 TYR A 91 12.488 -3.007 -4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.292 1.723 -3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.103 -1.392 -5.962 1.00 0.00 H new ATOM 0 HH TYR A 91 11.720 0.704 -6.535 1.00 0.00 H new ATOM 1374 N ALA A 92 15.271 -3.657 0.639 1.00 0.00 N ATOM 1375 CA ALA A 92 15.586 -4.292 1.915 1.00 0.00 C ATOM 1376 C ALA A 92 16.114 -3.296 2.949 1.00 0.00 C ATOM 1377 O ALA A 92 16.505 -3.710 4.036 1.00 0.00 O ATOM 1378 CB ALA A 92 16.577 -5.440 1.712 1.00 0.00 C ATOM 0 H ALA A 92 15.931 -3.895 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 92 14.654 -4.695 2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.801 -5.902 2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.141 -6.184 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.497 -5.053 1.273 1.00 0.00 H new ATOM 1384 N ALA A 93 16.139 -1.995 2.650 1.00 0.00 N ATOM 1385 CA ALA A 93 16.366 -0.971 3.654 1.00 0.00 C ATOM 1386 C ALA A 93 15.111 -0.688 4.503 1.00 0.00 C ATOM 1387 O ALA A 93 15.222 0.052 5.479 1.00 0.00 O ATOM 1388 CB ALA A 93 16.868 0.314 2.985 1.00 0.00 C ATOM 0 H ALA A 93 16.002 -1.630 1.707 1.00 0.00 H new ATOM 0 HA ALA A 93 17.128 -1.346 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.036 1.078 3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.802 0.111 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.123 0.668 2.273 1.00 0.00 H new ATOM 1394 N TRP A 94 13.935 -1.237 4.155 1.00 0.00 N ATOM 1395 CA TRP A 94 12.649 -0.865 4.759 1.00 0.00 C ATOM 1396 C TRP A 94 11.731 -2.069 5.040 1.00 0.00 C ATOM 1397 O TRP A 94 10.526 -1.883 5.234 1.00 0.00 O ATOM 1398 CB TRP A 94 11.940 0.147 3.844 1.00 0.00 C ATOM 1399 CG TRP A 94 12.682 1.390 3.478 1.00 0.00 C ATOM 1400 CD1 TRP A 94 12.764 2.512 4.225 1.00 0.00 C ATOM 1401 CD2 TRP A 94 13.397 1.673 2.242 1.00 0.00 C ATOM 1402 NE1 TRP A 94 13.475 3.473 3.534 1.00 0.00 N ATOM 1403 CE2 TRP A 94 13.909 3.001 2.315 1.00 0.00 C ATOM 1404 CE3 TRP A 94 13.648 0.938 1.064 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 14.659 3.569 1.278 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.402 1.500 0.014 1.00 0.00 C ATOM 1407 CH2 TRP A 94 14.914 2.804 0.129 1.00 0.00 C ATOM 0 H TRP A 94 13.852 -1.959 3.439 1.00 0.00 H new ATOM 0 HA TRP A 94 12.863 -0.420 5.731 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.670 -0.367 2.921 1.00 0.00 H new ATOM 0 HB3 TRP A 94 11.009 0.442 4.328 1.00 0.00 H new ATOM 0 HD1 TRP A 94 12.339 2.638 5.210 1.00 0.00 H new ATOM 0 HE1 TRP A 94 13.656 4.414 3.883 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.259 -0.065 0.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.035 4.578 1.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.587 0.927 -0.882 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.507 3.220 -0.672 1.00 0.00 H new ATOM 1418 N ILE A 95 12.253 -3.301 4.998 1.00 0.00 N ATOM 1419 CA ILE A 95 11.457 -4.510 5.210 1.00 0.00 C ATOM 1420 C ILE A 95 11.529 -4.831 6.700 1.00 0.00 C ATOM 1421 O ILE A 95 12.608 -4.805 7.296 1.00 0.00 O ATOM 1422 CB ILE A 95 11.966 -5.695 4.345 1.00 0.00 C ATOM 1423 CG1 ILE A 95 11.892 -5.349 2.841 1.00 0.00 C ATOM 1424 CG2 ILE A 95 11.143 -6.974 4.606 1.00 0.00 C ATOM 1425 CD1 ILE A 95 12.536 -6.381 1.908 1.00 0.00 C ATOM 0 H ILE A 95 13.240 -3.485 4.816 1.00 0.00 H new ATOM 0 HA ILE A 95 10.425 -4.345 4.902 1.00 0.00 H new ATOM 0 HB ILE A 95 13.003 -5.876 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.845 -5.232 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.375 -4.385 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.524 -7.785 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 95 11.226 -7.252 5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.097 -6.790 4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.434 -6.051 0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 95 13.593 -6.484 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 95 12.040 -7.343 2.032 1.00 0.00 H new ATOM 1437 N GLN A 96 10.421 -5.236 7.304 1.00 0.00 N ATOM 1438 CA GLN A 96 10.403 -5.854 8.627 1.00 0.00 C ATOM 1439 C GLN A 96 9.420 -7.025 8.635 1.00 0.00 C ATOM 1440 O GLN A 96 8.582 -7.134 7.736 1.00 0.00 O ATOM 1441 CB GLN A 96 10.071 -4.815 9.717 1.00 0.00 C ATOM 1442 CG GLN A 96 9.010 -3.783 9.318 1.00 0.00 C ATOM 1443 CD GLN A 96 8.358 -3.115 10.523 1.00 0.00 C ATOM 1444 OE1 GLN A 96 7.138 -2.986 10.561 1.00 0.00 O ATOM 1445 NE2 GLN A 96 9.119 -2.669 11.510 1.00 0.00 N ATOM 0 H GLN A 96 9.495 -5.144 6.885 1.00 0.00 H new ATOM 0 HA GLN A 96 11.396 -6.243 8.854 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.729 -5.341 10.609 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.986 -4.289 9.988 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.469 -3.020 8.689 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.242 -4.271 8.718 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.132 -2.783 11.465 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.693 -2.211 12.316 1.00 0.00 H new ATOM 1454 N PRO A 97 9.493 -7.905 9.646 1.00 0.00 N ATOM 1455 CA PRO A 97 8.431 -8.856 9.920 1.00 0.00 C ATOM 1456 C PRO A 97 7.158 -8.118 10.368 1.00 0.00 C ATOM 1457 O PRO A 97 7.194 -6.935 10.728 1.00 0.00 O ATOM 1458 CB PRO A 97 8.994 -9.783 10.997 1.00 0.00 C ATOM 1459 CG PRO A 97 9.999 -8.900 11.727 1.00 0.00 C ATOM 1460 CD PRO A 97 10.560 -8.012 10.630 1.00 0.00 C ATOM 0 HA PRO A 97 8.135 -9.431 9.042 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.213 -10.143 11.667 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.471 -10.662 10.563 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.521 -8.314 12.512 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.781 -9.492 12.203 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.837 -7.032 11.019 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.458 -8.447 10.192 1.00 0.00 H new ATOM 1468 N MET A 98 6.020 -8.807 10.348 1.00 0.00 N ATOM 1469 CA MET A 98 4.716 -8.241 10.679 1.00 0.00 C ATOM 1470 C MET A 98 4.447 -8.393 12.188 1.00 0.00 C ATOM 1471 O MET A 98 5.137 -9.173 12.855 1.00 0.00 O ATOM 1472 CB MET A 98 3.651 -8.863 9.748 1.00 0.00 C ATOM 1473 CG MET A 98 2.823 -10.057 10.213 1.00 0.00 C ATOM 1474 SD MET A 98 1.232 -10.147 9.338 1.00 0.00 S ATOM 1475 CE MET A 98 1.751 -10.280 7.603 1.00 0.00 C ATOM 0 H MET A 98 5.978 -9.795 10.096 1.00 0.00 H new ATOM 0 HA MET A 98 4.680 -7.167 10.497 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.952 -8.070 9.482 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.159 -9.161 8.831 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.384 -10.977 10.046 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.646 -9.982 11.286 1.00 0.00 H new ATOM 0 HE1 MET A 98 0.891 -10.537 6.985 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.164 -9.327 7.273 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.510 -11.056 7.509 1.00 0.00 H new ATOM 1485 N GLU A 99 3.470 -7.674 12.749 1.00 0.00 N ATOM 1486 CA GLU A 99 3.073 -7.761 14.157 1.00 0.00 C ATOM 1487 C GLU A 99 1.596 -7.362 14.332 1.00 0.00 C ATOM 1488 O GLU A 99 0.975 -6.874 13.385 1.00 0.00 O ATOM 1489 CB GLU A 99 3.942 -6.811 14.998 1.00 0.00 C ATOM 1490 CG GLU A 99 5.281 -7.409 15.475 1.00 0.00 C ATOM 1491 CD GLU A 99 5.735 -6.872 16.841 1.00 0.00 C ATOM 1492 OE1 GLU A 99 4.855 -6.572 17.689 1.00 0.00 O ATOM 1493 OE2 GLU A 99 6.949 -6.834 17.134 1.00 0.00 O ATOM 0 H GLU A 99 2.919 -6.997 12.222 1.00 0.00 H new ATOM 0 HA GLU A 99 3.208 -8.791 14.487 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.149 -5.916 14.411 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.370 -6.495 15.871 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.187 -8.493 15.532 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.051 -7.194 14.734 1.00 0.00 H new ATOM 1500 N GLN A 100 1.045 -7.532 15.546 1.00 0.00 N ATOM 1501 CA GLN A 100 -0.154 -6.814 15.982 1.00 0.00 C ATOM 1502 C GLN A 100 0.222 -5.400 16.390 1.00 0.00 C ATOM 1503 O GLN A 100 -0.600 -4.486 16.159 1.00 0.00 O ATOM 1504 CB GLN A 100 -0.907 -7.514 17.138 1.00 0.00 C ATOM 1505 CG GLN A 100 -0.129 -7.738 18.444 1.00 0.00 C ATOM 1506 CD GLN A 100 -1.049 -8.194 19.571 1.00 0.00 C ATOM 1507 OE1 GLN A 100 -1.231 -7.493 20.566 1.00 0.00 O ATOM 1508 NE2 GLN A 100 -1.667 -9.351 19.449 1.00 0.00 N ATOM 0 H GLN A 100 1.421 -8.170 16.247 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.839 -6.800 15.134 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.795 -6.925 17.369 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.252 -8.484 16.779 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.648 -8.485 18.282 1.00 0.00 H new ATOM 0 HG3 GLN A 100 0.372 -6.814 18.733 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.512 -9.927 18.622 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.301 -9.670 20.182 1.00 0.00 H new TER 1517 GLN A 100