USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1099 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 47 CYS SG : rot -107:sc= 0.311 USER MOD Set 1.2: A 49 THR OG1 : rot 140:sc= 0.302 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= -0.717 (180deg=-3.7!) 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 8 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.39! X(o=-2.4!,f=-2.6) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= -2.2 (180deg=-4.65!) USER MOD Single : A 45 HIS :FLIP no HE2:sc= -1.63 F(o=-2.2,f=-1.6) USER MOD Single : A 48 GLN : amide:sc= -0.35 K(o=-0.35,f=-3!) USER MOD Single : A 54 HIS :FLIP no HE2:sc= -1.74 F(o=-3!,f=-1.7) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-2.2!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0657 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0664 USER MOD Single : A 127 GLN : amide:sc= -5.68! X(o=-5.7!,f=-5.3) USER MOD Single : A 129 GLN : amide:sc= -0.0087 X(o=-0.0087,f=-0.017) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot -83:sc= -0.282 USER MOD Single : A 136 SER OG : rot -43:sc= 0.131 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.364 -7.708 7.469 1.00 0.00 N ATOM 2 CA MET A 1 11.245 -6.261 7.533 1.00 0.00 C ATOM 3 C MET A 1 10.483 -5.720 6.321 1.00 0.00 C ATOM 4 O MET A 1 9.986 -6.490 5.501 1.00 0.00 O ATOM 5 CB MET A 1 12.640 -5.636 7.580 1.00 0.00 C ATOM 6 CG MET A 1 12.749 -4.624 8.723 1.00 0.00 C ATOM 7 SD MET A 1 14.419 -4.003 8.831 1.00 0.00 S ATOM 8 CE MET A 1 14.088 -2.265 9.071 1.00 0.00 C ATOM 0 H1 MET A 1 11.110 -8.118 8.390 1.00 0.00 H new ATOM 0 H2 MET A 1 10.723 -8.077 6.738 1.00 0.00 H new ATOM 0 H3 MET A 1 12.344 -7.966 7.233 1.00 0.00 H new ATOM 0 HA MET A 1 10.690 -6.000 8.434 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.389 -6.418 7.709 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.854 -5.143 6.632 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.056 -3.799 8.557 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.465 -5.094 9.665 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.030 -1.724 9.159 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.527 -1.881 8.219 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.505 -2.128 9.982 1.00 0.00 H new ATOM 18 N VAL A 2 10.416 -4.398 6.247 1.00 0.00 N ATOM 19 CA VAL A 2 9.724 -3.745 5.150 1.00 0.00 C ATOM 20 C VAL A 2 10.169 -4.370 3.826 1.00 0.00 C ATOM 21 O VAL A 2 11.342 -4.696 3.654 1.00 0.00 O ATOM 22 CB VAL A 2 9.961 -2.234 5.207 1.00 0.00 C ATOM 23 CG1 VAL A 2 9.139 -1.510 4.139 1.00 0.00 C ATOM 24 CG2 VAL A 2 9.656 -1.684 6.601 1.00 0.00 C ATOM 0 H VAL A 2 10.830 -3.762 6.929 1.00 0.00 H new ATOM 0 HA VAL A 2 8.648 -3.896 5.235 1.00 0.00 H new ATOM 0 HB VAL A 2 11.015 -2.051 4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.326 -0.438 4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.426 -1.872 3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.079 -1.704 4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.832 -0.608 6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.614 -1.884 6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.304 -2.167 7.332 1.00 0.00 H new ATOM 34 N PRO A 3 9.183 -4.524 2.902 1.00 0.00 N ATOM 35 CA PRO A 3 9.461 -5.105 1.600 1.00 0.00 C ATOM 36 C PRO A 3 10.196 -4.108 0.701 1.00 0.00 C ATOM 37 O PRO A 3 10.394 -2.955 1.079 1.00 0.00 O ATOM 38 CB PRO A 3 8.103 -5.510 1.051 1.00 0.00 C ATOM 39 CG PRO A 3 7.078 -4.725 1.854 1.00 0.00 C ATOM 40 CD PRO A 3 7.782 -4.150 3.072 1.00 0.00 C ATOM 0 HA PRO A 3 10.125 -5.967 1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.027 -5.279 -0.012 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.943 -6.583 1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.649 -3.927 1.249 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.255 -5.372 2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.665 -3.068 3.123 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.372 -4.559 3.996 1.00 0.00 H new ATOM 48 N PRO A 4 10.591 -4.603 -0.503 1.00 0.00 N ATOM 49 CA PRO A 4 11.299 -3.769 -1.459 1.00 0.00 C ATOM 50 C PRO A 4 10.347 -2.782 -2.137 1.00 0.00 C ATOM 51 O PRO A 4 10.569 -1.573 -2.098 1.00 0.00 O ATOM 52 CB PRO A 4 11.938 -4.744 -2.434 1.00 0.00 C ATOM 53 CG PRO A 4 11.187 -6.055 -2.265 1.00 0.00 C ATOM 54 CD PRO A 4 10.373 -5.964 -0.984 1.00 0.00 C ATOM 0 HA PRO A 4 12.057 -3.142 -0.990 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.861 -4.379 -3.458 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.999 -4.871 -2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.535 -6.234 -3.120 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.885 -6.891 -2.215 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.316 -6.153 -1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.703 -6.701 -0.252 1.00 0.00 H new ATOM 62 N LYS A 5 9.306 -3.335 -2.743 1.00 0.00 N ATOM 63 CA LYS A 5 8.319 -2.518 -3.429 1.00 0.00 C ATOM 64 C LYS A 5 8.080 -1.236 -2.629 1.00 0.00 C ATOM 65 O LYS A 5 7.805 -0.184 -3.204 1.00 0.00 O ATOM 66 CB LYS A 5 7.047 -3.325 -3.693 1.00 0.00 C ATOM 67 CG LYS A 5 7.322 -4.485 -4.653 1.00 0.00 C ATOM 68 CD LYS A 5 7.479 -3.982 -6.089 1.00 0.00 C ATOM 69 CE LYS A 5 6.144 -4.030 -6.836 1.00 0.00 C ATOM 70 NZ LYS A 5 6.094 -2.979 -7.876 1.00 0.00 N ATOM 0 H LYS A 5 9.125 -4.338 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 5 8.687 -2.218 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.656 -3.712 -2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.280 -2.674 -4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.227 -5.009 -4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.505 -5.205 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.859 -2.960 -6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.215 -4.591 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.012 -5.010 -7.294 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.322 -3.894 -6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.182 -3.026 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.198 -2.045 -7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.867 -3.127 -8.556 1.00 0.00 H new ATOM 84 N LEU A 6 8.192 -1.366 -1.315 1.00 0.00 N ATOM 85 CA LEU A 6 7.991 -0.231 -0.431 1.00 0.00 C ATOM 86 C LEU A 6 9.319 0.505 -0.243 1.00 0.00 C ATOM 87 O LEU A 6 9.447 1.668 -0.621 1.00 0.00 O ATOM 88 CB LEU A 6 7.347 -0.682 0.881 1.00 0.00 C ATOM 89 CG LEU A 6 6.405 0.324 1.547 1.00 0.00 C ATOM 90 CD1 LEU A 6 6.828 0.597 2.992 1.00 0.00 C ATOM 91 CD2 LEU A 6 6.309 1.611 0.725 1.00 0.00 C ATOM 0 H LEU A 6 8.419 -2.240 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 6 7.293 0.479 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.791 -1.601 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.141 -0.928 1.586 1.00 0.00 H new ATOM 0 HG LEU A 6 5.407 -0.112 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.142 1.315 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.804 -0.333 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.839 1.004 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.634 2.309 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.298 2.062 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.927 1.380 -0.269 1.00 0.00 H new ATOM 103 N LYS A 7 10.274 -0.204 0.341 1.00 0.00 N ATOM 104 CA LYS A 7 11.588 0.367 0.584 1.00 0.00 C ATOM 105 C LYS A 7 12.035 1.150 -0.652 1.00 0.00 C ATOM 106 O LYS A 7 12.761 2.137 -0.537 1.00 0.00 O ATOM 107 CB LYS A 7 12.574 -0.721 1.013 1.00 0.00 C ATOM 108 CG LYS A 7 13.824 -0.108 1.649 1.00 0.00 C ATOM 109 CD LYS A 7 13.927 -0.483 3.128 1.00 0.00 C ATOM 110 CE LYS A 7 15.237 0.026 3.733 1.00 0.00 C ATOM 111 NZ LYS A 7 15.524 -0.669 5.008 1.00 0.00 N ATOM 0 H LYS A 7 10.164 -1.169 0.653 1.00 0.00 H new ATOM 0 HA LYS A 7 11.549 1.074 1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.093 -1.394 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.858 -1.321 0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.712 -0.454 1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.794 0.977 1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.083 -0.062 3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.868 -1.566 3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.055 -0.136 3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.172 1.100 3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.416 -0.312 5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.751 -0.493 5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.607 -1.691 4.835 1.00 0.00 H new ATOM 125 N GLN A 8 11.583 0.682 -1.805 1.00 0.00 N ATOM 126 CA GLN A 8 11.928 1.326 -3.061 1.00 0.00 C ATOM 127 C GLN A 8 11.173 2.649 -3.204 1.00 0.00 C ATOM 128 O GLN A 8 11.754 3.660 -3.595 1.00 0.00 O ATOM 129 CB GLN A 8 11.643 0.402 -4.248 1.00 0.00 C ATOM 130 CG GLN A 8 12.936 0.036 -4.980 1.00 0.00 C ATOM 131 CD GLN A 8 13.184 0.980 -6.158 1.00 0.00 C ATOM 132 OE1 GLN A 8 12.831 2.148 -6.137 1.00 0.00 O ATOM 133 NE2 GLN A 8 13.810 0.411 -7.185 1.00 0.00 N ATOM 0 H GLN A 8 10.980 -0.136 -1.896 1.00 0.00 H new ATOM 0 HA GLN A 8 12.997 1.538 -3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.150 -0.505 -3.898 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.956 0.892 -4.938 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.776 0.084 -4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.877 -0.992 -5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.078 -0.572 -7.138 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.022 0.958 -8.020 1.00 0.00 H new ATOM 142 N ALA A 9 9.889 2.599 -2.879 1.00 0.00 N ATOM 143 CA ALA A 9 9.049 3.782 -2.966 1.00 0.00 C ATOM 144 C ALA A 9 9.543 4.828 -1.964 1.00 0.00 C ATOM 145 O ALA A 9 9.897 5.942 -2.349 1.00 0.00 O ATOM 146 CB ALA A 9 7.590 3.390 -2.727 1.00 0.00 C ATOM 0 H ALA A 9 9.410 1.758 -2.555 1.00 0.00 H new ATOM 0 HA ALA A 9 9.110 4.224 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.960 4.277 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.279 2.668 -3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.490 2.946 -1.737 1.00 0.00 H new ATOM 152 N LEU A 10 9.552 4.432 -0.700 1.00 0.00 N ATOM 153 CA LEU A 10 9.997 5.322 0.359 1.00 0.00 C ATOM 154 C LEU A 10 11.320 5.973 -0.049 1.00 0.00 C ATOM 155 O LEU A 10 11.430 7.198 -0.080 1.00 0.00 O ATOM 156 CB LEU A 10 10.065 4.575 1.693 1.00 0.00 C ATOM 157 CG LEU A 10 8.721 4.233 2.339 1.00 0.00 C ATOM 158 CD1 LEU A 10 8.923 3.516 3.676 1.00 0.00 C ATOM 159 CD2 LEU A 10 7.848 5.480 2.483 1.00 0.00 C ATOM 0 H LEU A 10 9.258 3.507 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 10 9.278 6.127 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.618 3.648 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.640 5.178 2.396 1.00 0.00 H new ATOM 0 HG LEU A 10 8.191 3.545 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.953 3.284 4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.478 2.592 3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.483 4.161 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.899 5.208 2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.359 6.212 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.663 5.910 1.499 1.00 0.00 H new ATOM 171 N GLU A 11 12.291 5.124 -0.353 1.00 0.00 N ATOM 172 CA GLU A 11 13.602 5.602 -0.759 1.00 0.00 C ATOM 173 C GLU A 11 13.484 6.484 -2.004 1.00 0.00 C ATOM 174 O GLU A 11 13.772 7.678 -1.952 1.00 0.00 O ATOM 175 CB GLU A 11 14.560 4.434 -1.003 1.00 0.00 C ATOM 176 CG GLU A 11 15.057 3.846 0.319 1.00 0.00 C ATOM 177 CD GLU A 11 16.553 3.533 0.253 1.00 0.00 C ATOM 178 OE1 GLU A 11 16.925 2.725 -0.625 1.00 0.00 O ATOM 179 OE2 GLU A 11 17.291 4.110 1.080 1.00 0.00 O ATOM 0 H GLU A 11 12.196 4.109 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 11 14.014 6.204 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.056 3.660 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.409 4.774 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.865 4.550 1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.502 2.937 0.548 1.00 0.00 H new ATOM 186 N LEU A 12 13.061 5.860 -3.093 1.00 0.00 N ATOM 187 CA LEU A 12 12.902 6.573 -4.349 1.00 0.00 C ATOM 188 C LEU A 12 12.215 7.915 -4.086 1.00 0.00 C ATOM 189 O LEU A 12 12.740 8.967 -4.447 1.00 0.00 O ATOM 190 CB LEU A 12 12.173 5.700 -5.373 1.00 0.00 C ATOM 191 CG LEU A 12 11.851 6.364 -6.713 1.00 0.00 C ATOM 192 CD1 LEU A 12 13.126 6.616 -7.521 1.00 0.00 C ATOM 193 CD2 LEU A 12 10.827 5.543 -7.500 1.00 0.00 C ATOM 0 H LEU A 12 12.823 4.869 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 12 13.876 6.793 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.781 4.816 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.240 5.355 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 12 11.399 7.336 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.869 7.089 -8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.790 7.271 -6.957 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.628 5.668 -7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.616 6.037 -8.448 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.228 4.548 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.907 5.459 -6.922 1.00 0.00 H new ATOM 205 N PHE A 13 11.051 7.834 -3.458 1.00 0.00 N ATOM 206 CA PHE A 13 10.286 9.028 -3.142 1.00 0.00 C ATOM 207 C PHE A 13 11.174 10.091 -2.491 1.00 0.00 C ATOM 208 O PHE A 13 11.364 11.171 -3.048 1.00 0.00 O ATOM 209 CB PHE A 13 9.198 8.613 -2.150 1.00 0.00 C ATOM 210 CG PHE A 13 8.220 9.735 -1.794 1.00 0.00 C ATOM 211 CD1 PHE A 13 7.691 10.513 -2.776 1.00 0.00 C ATOM 212 CD2 PHE A 13 7.880 9.954 -0.495 1.00 0.00 C ATOM 213 CE1 PHE A 13 6.783 11.554 -2.445 1.00 0.00 C ATOM 214 CE2 PHE A 13 6.972 10.995 -0.165 1.00 0.00 C ATOM 215 CZ PHE A 13 6.443 11.773 -1.147 1.00 0.00 C ATOM 0 H PHE A 13 10.619 6.960 -3.159 1.00 0.00 H new ATOM 0 HA PHE A 13 9.865 9.452 -4.054 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.639 7.777 -2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.672 8.254 -1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.961 10.339 -3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.300 9.336 0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.363 12.172 -3.225 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.702 11.169 0.866 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.753 12.565 -0.896 1.00 0.00 H new ATOM 225 N LYS A 14 11.694 9.747 -1.322 1.00 0.00 N ATOM 226 CA LYS A 14 12.557 10.658 -0.590 1.00 0.00 C ATOM 227 C LYS A 14 13.638 11.196 -1.530 1.00 0.00 C ATOM 228 O LYS A 14 14.171 12.282 -1.311 1.00 0.00 O ATOM 229 CB LYS A 14 13.113 9.979 0.663 1.00 0.00 C ATOM 230 CG LYS A 14 14.154 10.865 1.350 1.00 0.00 C ATOM 231 CD LYS A 14 15.016 10.049 2.316 1.00 0.00 C ATOM 232 CE LYS A 14 16.377 9.725 1.696 1.00 0.00 C ATOM 233 NZ LYS A 14 17.268 9.101 2.700 1.00 0.00 N ATOM 0 H LYS A 14 11.534 8.850 -0.864 1.00 0.00 H new ATOM 0 HA LYS A 14 11.989 11.517 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.299 9.764 1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.564 9.024 0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.789 11.336 0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.653 11.667 1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.158 10.606 3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.501 9.124 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.246 9.052 0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.834 10.637 1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.187 8.887 2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.407 9.756 3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.837 8.221 3.047 1.00 0.00 H new ATOM 247 N SER A 15 13.930 10.409 -2.555 1.00 0.00 N ATOM 248 CA SER A 15 14.938 10.792 -3.529 1.00 0.00 C ATOM 249 C SER A 15 14.321 11.707 -4.589 1.00 0.00 C ATOM 250 O SER A 15 14.961 12.653 -5.045 1.00 0.00 O ATOM 251 CB SER A 15 15.562 9.561 -4.189 1.00 0.00 C ATOM 252 OG SER A 15 16.960 9.725 -4.411 1.00 0.00 O ATOM 0 H SER A 15 13.486 9.508 -2.732 1.00 0.00 H new ATOM 0 HA SER A 15 15.729 11.332 -3.008 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.395 8.688 -3.558 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.064 9.368 -5.139 1.00 0.00 H new ATOM 0 HG SER A 15 17.321 8.917 -4.832 1.00 0.00 H new ATOM 258 N LEU A 16 13.086 11.393 -4.949 1.00 0.00 N ATOM 259 CA LEU A 16 12.375 12.175 -5.947 1.00 0.00 C ATOM 260 C LEU A 16 12.436 13.655 -5.566 1.00 0.00 C ATOM 261 O LEU A 16 12.623 13.992 -4.398 1.00 0.00 O ATOM 262 CB LEU A 16 10.952 11.645 -6.129 1.00 0.00 C ATOM 263 CG LEU A 16 10.816 10.352 -6.935 1.00 0.00 C ATOM 264 CD1 LEU A 16 9.345 9.975 -7.124 1.00 0.00 C ATOM 265 CD2 LEU A 16 11.556 10.457 -8.270 1.00 0.00 C ATOM 0 H LEU A 16 12.559 10.608 -4.568 1.00 0.00 H new ATOM 0 HA LEU A 16 12.854 12.076 -6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.517 11.482 -5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.357 12.418 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 16 11.285 9.547 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.277 9.052 -7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.879 9.830 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.830 10.774 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.443 9.524 -8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.139 11.278 -8.854 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.614 10.644 -8.086 1.00 0.00 H new ATOM 277 N PRO A 17 12.271 14.522 -6.601 1.00 0.00 N ATOM 278 CA PRO A 17 12.306 15.959 -6.386 1.00 0.00 C ATOM 279 C PRO A 17 11.014 16.446 -5.727 1.00 0.00 C ATOM 280 O PRO A 17 9.920 16.061 -6.137 1.00 0.00 O ATOM 281 CB PRO A 17 12.531 16.558 -7.765 1.00 0.00 C ATOM 282 CG PRO A 17 12.151 15.471 -8.758 1.00 0.00 C ATOM 283 CD PRO A 17 12.049 14.159 -7.997 1.00 0.00 C ATOM 0 HA PRO A 17 13.097 16.262 -5.700 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.920 17.449 -7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.570 16.860 -7.895 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.202 15.708 -9.239 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.899 15.397 -9.548 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.072 13.696 -8.135 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.793 13.442 -8.343 1.00 0.00 H new ATOM 291 N LYS A 18 11.183 17.285 -4.715 1.00 0.00 N ATOM 292 CA LYS A 18 10.044 17.829 -3.995 1.00 0.00 C ATOM 293 C LYS A 18 8.880 18.029 -4.968 1.00 0.00 C ATOM 294 O LYS A 18 7.862 17.345 -4.872 1.00 0.00 O ATOM 295 CB LYS A 18 10.443 19.100 -3.243 1.00 0.00 C ATOM 296 CG LYS A 18 11.268 20.029 -4.135 1.00 0.00 C ATOM 297 CD LYS A 18 12.490 20.565 -3.386 1.00 0.00 C ATOM 298 CE LYS A 18 12.200 21.937 -2.775 1.00 0.00 C ATOM 299 NZ LYS A 18 13.461 22.609 -2.388 1.00 0.00 N ATOM 0 H LYS A 18 12.092 17.601 -4.377 1.00 0.00 H new ATOM 0 HA LYS A 18 9.705 17.128 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.548 19.620 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.019 18.836 -2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.590 19.491 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.649 20.861 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.775 19.866 -2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.336 20.639 -4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.658 22.554 -3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.558 21.824 -1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.246 23.539 -1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.964 22.027 -1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.060 22.734 -3.229 1.00 0.00 H new ATOM 313 N GLU A 19 9.069 18.970 -5.881 1.00 0.00 N ATOM 314 CA GLU A 19 8.047 19.269 -6.870 1.00 0.00 C ATOM 315 C GLU A 19 7.316 17.990 -7.282 1.00 0.00 C ATOM 316 O GLU A 19 6.090 17.922 -7.212 1.00 0.00 O ATOM 317 CB GLU A 19 8.652 19.971 -8.088 1.00 0.00 C ATOM 318 CG GLU A 19 10.098 19.528 -8.314 1.00 0.00 C ATOM 319 CD GLU A 19 11.081 20.592 -7.820 1.00 0.00 C ATOM 320 OE1 GLU A 19 10.648 21.427 -6.997 1.00 0.00 O ATOM 321 OE2 GLU A 19 12.244 20.546 -8.277 1.00 0.00 O ATOM 0 H GLU A 19 9.915 19.535 -5.957 1.00 0.00 H new ATOM 0 HA GLU A 19 7.323 19.949 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.057 19.748 -8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.617 21.051 -7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.280 18.589 -7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.263 19.340 -9.375 1.00 0.00 H new ATOM 328 N LEU A 20 8.100 17.008 -7.701 1.00 0.00 N ATOM 329 CA LEU A 20 7.542 15.734 -8.124 1.00 0.00 C ATOM 330 C LEU A 20 6.899 15.040 -6.922 1.00 0.00 C ATOM 331 O LEU A 20 5.802 14.493 -7.031 1.00 0.00 O ATOM 332 CB LEU A 20 8.608 14.889 -8.825 1.00 0.00 C ATOM 333 CG LEU A 20 9.014 15.348 -10.227 1.00 0.00 C ATOM 334 CD1 LEU A 20 10.019 14.379 -10.852 1.00 0.00 C ATOM 335 CD2 LEU A 20 7.784 15.550 -11.115 1.00 0.00 C ATOM 0 H LEU A 20 9.117 17.068 -7.757 1.00 0.00 H new ATOM 0 HA LEU A 20 6.755 15.888 -8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.499 14.871 -8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.245 13.864 -8.891 1.00 0.00 H new ATOM 0 HG LEU A 20 9.511 16.314 -10.140 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.291 14.729 -11.848 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.912 14.329 -10.229 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.572 13.388 -10.925 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.100 15.876 -12.106 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.238 14.610 -11.199 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.137 16.307 -10.673 1.00 0.00 H new ATOM 347 N ARG A 21 7.608 15.085 -5.804 1.00 0.00 N ATOM 348 CA ARG A 21 7.119 14.467 -4.583 1.00 0.00 C ATOM 349 C ARG A 21 5.675 14.894 -4.313 1.00 0.00 C ATOM 350 O ARG A 21 4.946 14.211 -3.595 1.00 0.00 O ATOM 351 CB ARG A 21 7.990 14.850 -3.385 1.00 0.00 C ATOM 352 CG ARG A 21 9.413 14.311 -3.546 1.00 0.00 C ATOM 353 CD ARG A 21 10.052 14.034 -2.184 1.00 0.00 C ATOM 354 NE ARG A 21 11.170 14.976 -1.949 1.00 0.00 N ATOM 355 CZ ARG A 21 11.028 16.184 -1.388 1.00 0.00 C ATOM 356 NH1 ARG A 21 9.817 16.606 -1.002 1.00 0.00 N ATOM 357 NH2 ARG A 21 12.099 16.971 -1.214 1.00 0.00 N ATOM 0 H ARG A 21 8.517 15.540 -5.718 1.00 0.00 H new ATOM 0 HA ARG A 21 7.162 13.386 -4.718 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.018 15.935 -3.283 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.549 14.455 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.394 13.395 -4.136 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.018 15.031 -4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.307 14.137 -1.395 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.416 13.007 -2.146 1.00 0.00 H new ATOM 0 HE ARG A 21 12.106 14.687 -2.232 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.002 16.007 -1.135 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.710 17.526 -0.575 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.021 16.650 -1.509 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.992 17.891 -0.787 1.00 0.00 H new ATOM 371 N SER A 22 5.305 16.021 -4.902 1.00 0.00 N ATOM 372 CA SER A 22 3.961 16.547 -4.734 1.00 0.00 C ATOM 373 C SER A 22 3.016 15.902 -5.749 1.00 0.00 C ATOM 374 O SER A 22 1.831 15.721 -5.472 1.00 0.00 O ATOM 375 CB SER A 22 3.943 18.070 -4.885 1.00 0.00 C ATOM 376 OG SER A 22 3.096 18.692 -3.922 1.00 0.00 O ATOM 0 H SER A 22 5.912 16.585 -5.496 1.00 0.00 H new ATOM 0 HA SER A 22 3.622 16.305 -3.727 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.957 18.457 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.605 18.331 -5.888 1.00 0.00 H new ATOM 0 HG SER A 22 3.113 19.663 -4.050 1.00 0.00 H new ATOM 382 N GLN A 23 3.575 15.573 -6.905 1.00 0.00 N ATOM 383 CA GLN A 23 2.796 14.952 -7.962 1.00 0.00 C ATOM 384 C GLN A 23 2.606 13.461 -7.676 1.00 0.00 C ATOM 385 O GLN A 23 1.491 12.947 -7.756 1.00 0.00 O ATOM 386 CB GLN A 23 3.454 15.168 -9.327 1.00 0.00 C ATOM 387 CG GLN A 23 4.154 13.895 -9.806 1.00 0.00 C ATOM 388 CD GLN A 23 4.743 14.087 -11.205 1.00 0.00 C ATOM 389 OE1 GLN A 23 4.446 15.041 -11.906 1.00 0.00 O ATOM 390 NE2 GLN A 23 5.592 13.131 -11.571 1.00 0.00 N ATOM 0 H GLN A 23 4.558 15.725 -7.132 1.00 0.00 H new ATOM 0 HA GLN A 23 1.814 15.425 -7.989 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.700 15.468 -10.055 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.176 15.982 -9.262 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.947 13.627 -9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.445 13.067 -9.817 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.797 12.360 -10.935 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.039 13.169 -12.487 1.00 0.00 H new ATOM 399 N VAL A 24 3.711 12.808 -7.348 1.00 0.00 N ATOM 400 CA VAL A 24 3.680 11.387 -7.049 1.00 0.00 C ATOM 401 C VAL A 24 2.559 11.105 -6.047 1.00 0.00 C ATOM 402 O VAL A 24 1.691 10.270 -6.299 1.00 0.00 O ATOM 403 CB VAL A 24 5.053 10.926 -6.555 1.00 0.00 C ATOM 404 CG1 VAL A 24 5.538 11.795 -5.394 1.00 0.00 C ATOM 405 CG2 VAL A 24 5.025 9.448 -6.160 1.00 0.00 C ATOM 0 H VAL A 24 4.634 13.237 -7.283 1.00 0.00 H new ATOM 0 HA VAL A 24 3.463 10.812 -7.949 1.00 0.00 H new ATOM 0 HB VAL A 24 5.761 11.040 -7.376 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.516 11.446 -5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.615 12.831 -5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.829 11.728 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.013 9.145 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.298 9.298 -5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.744 8.846 -7.024 1.00 0.00 H new ATOM 415 N LEU A 25 2.613 11.818 -4.931 1.00 0.00 N ATOM 416 CA LEU A 25 1.612 11.655 -3.890 1.00 0.00 C ATOM 417 C LEU A 25 0.220 11.639 -4.524 1.00 0.00 C ATOM 418 O LEU A 25 -0.657 10.896 -4.086 1.00 0.00 O ATOM 419 CB LEU A 25 1.784 12.725 -2.810 1.00 0.00 C ATOM 420 CG LEU A 25 3.059 12.631 -1.969 1.00 0.00 C ATOM 421 CD1 LEU A 25 3.264 13.901 -1.141 1.00 0.00 C ATOM 422 CD2 LEU A 25 3.050 11.374 -1.098 1.00 0.00 C ATOM 0 H LEU A 25 3.334 12.510 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 25 1.742 10.699 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.760 13.704 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.926 12.677 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 25 3.909 12.547 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.177 13.808 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.347 14.760 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.414 14.041 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.967 11.332 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.191 11.402 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.985 10.491 -1.734 1.00 0.00 H new ATOM 434 N LEU A 26 0.061 12.467 -5.546 1.00 0.00 N ATOM 435 CA LEU A 26 -1.210 12.557 -6.245 1.00 0.00 C ATOM 436 C LEU A 26 -1.365 11.349 -7.171 1.00 0.00 C ATOM 437 O LEU A 26 -2.407 10.696 -7.177 1.00 0.00 O ATOM 438 CB LEU A 26 -1.331 13.902 -6.964 1.00 0.00 C ATOM 439 CG LEU A 26 -1.993 15.030 -6.169 1.00 0.00 C ATOM 440 CD1 LEU A 26 -3.465 14.717 -5.895 1.00 0.00 C ATOM 441 CD2 LEU A 26 -1.219 15.320 -4.882 1.00 0.00 C ATOM 0 H LEU A 26 0.791 13.081 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.038 12.524 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.332 14.227 -7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.898 13.751 -7.883 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.964 15.937 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.912 15.534 -5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.994 14.599 -6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.540 13.794 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.710 16.125 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.194 14.424 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.200 15.618 -5.129 1.00 0.00 H new ATOM 453 N GLU A 27 -0.311 11.087 -7.931 1.00 0.00 N ATOM 454 CA GLU A 27 -0.317 9.969 -8.859 1.00 0.00 C ATOM 455 C GLU A 27 -0.808 8.700 -8.158 1.00 0.00 C ATOM 456 O GLU A 27 -1.807 8.109 -8.565 1.00 0.00 O ATOM 457 CB GLU A 27 1.069 9.756 -9.470 1.00 0.00 C ATOM 458 CG GLU A 27 1.434 10.903 -10.414 1.00 0.00 C ATOM 459 CD GLU A 27 2.042 10.372 -11.714 1.00 0.00 C ATOM 460 OE1 GLU A 27 1.246 9.966 -12.588 1.00 0.00 O ATOM 461 OE2 GLU A 27 3.288 10.383 -11.804 1.00 0.00 O ATOM 0 H GLU A 27 0.552 11.630 -7.923 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.005 10.201 -9.672 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.813 9.683 -8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.089 8.812 -10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.544 11.491 -10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.142 11.571 -9.924 1.00 0.00 H new ATOM 468 N TYR A 28 -0.083 8.320 -7.117 1.00 0.00 N ATOM 469 CA TYR A 28 -0.432 7.132 -6.356 1.00 0.00 C ATOM 470 C TYR A 28 -1.949 7.005 -6.203 1.00 0.00 C ATOM 471 O TYR A 28 -2.552 6.066 -6.721 1.00 0.00 O ATOM 472 CB TYR A 28 0.194 7.319 -4.972 1.00 0.00 C ATOM 473 CG TYR A 28 1.688 6.998 -4.916 1.00 0.00 C ATOM 474 CD1 TYR A 28 2.394 6.793 -6.084 1.00 0.00 C ATOM 475 CD2 TYR A 28 2.331 6.912 -3.698 1.00 0.00 C ATOM 476 CE1 TYR A 28 3.801 6.490 -6.032 1.00 0.00 C ATOM 477 CE2 TYR A 28 3.738 6.610 -3.645 1.00 0.00 C ATOM 478 CZ TYR A 28 4.404 6.414 -4.815 1.00 0.00 C ATOM 479 OH TYR A 28 5.732 6.128 -4.765 1.00 0.00 O ATOM 0 H TYR A 28 0.745 8.813 -6.782 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.073 6.234 -6.860 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.042 8.350 -4.652 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.331 6.684 -4.258 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.891 6.860 -7.037 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.779 7.071 -2.784 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.365 6.327 -6.939 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.253 6.541 -2.698 1.00 0.00 H new ATOM 0 HH TYR A 28 6.027 6.107 -3.831 1.00 0.00 H new ATOM 489 N ALA A 29 -2.522 7.963 -5.491 1.00 0.00 N ATOM 490 CA ALA A 29 -3.958 7.970 -5.264 1.00 0.00 C ATOM 491 C ALA A 29 -4.682 7.802 -6.601 1.00 0.00 C ATOM 492 O ALA A 29 -5.761 7.215 -6.657 1.00 0.00 O ATOM 493 CB ALA A 29 -4.355 9.260 -4.544 1.00 0.00 C ATOM 0 H ALA A 29 -2.019 8.740 -5.063 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.249 7.137 -4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.432 9.265 -4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.836 9.317 -3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.080 10.118 -5.157 1.00 0.00 H new ATOM 499 N ALA A 30 -4.059 8.329 -7.645 1.00 0.00 N ATOM 500 CA ALA A 30 -4.631 8.245 -8.978 1.00 0.00 C ATOM 501 C ALA A 30 -4.642 6.784 -9.433 1.00 0.00 C ATOM 502 O ALA A 30 -5.569 6.349 -10.114 1.00 0.00 O ATOM 503 CB ALA A 30 -3.841 9.146 -9.930 1.00 0.00 C ATOM 0 H ALA A 30 -3.164 8.816 -7.595 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.663 8.597 -8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.270 9.083 -10.930 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.889 10.177 -9.579 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.801 8.821 -9.960 1.00 0.00 H new ATOM 509 N LYS A 31 -3.600 6.067 -9.037 1.00 0.00 N ATOM 510 CA LYS A 31 -3.478 4.664 -9.395 1.00 0.00 C ATOM 511 C LYS A 31 -4.417 3.835 -8.517 1.00 0.00 C ATOM 512 O LYS A 31 -5.006 2.860 -8.981 1.00 0.00 O ATOM 513 CB LYS A 31 -2.016 4.218 -9.325 1.00 0.00 C ATOM 514 CG LYS A 31 -1.286 4.526 -10.634 1.00 0.00 C ATOM 515 CD LYS A 31 0.130 5.037 -10.365 1.00 0.00 C ATOM 516 CE LYS A 31 0.307 6.463 -10.890 1.00 0.00 C ATOM 517 NZ LYS A 31 -0.928 7.251 -10.678 1.00 0.00 N ATOM 0 H LYS A 31 -2.833 6.431 -8.472 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.786 4.506 -10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.517 4.724 -8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.968 3.148 -9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.241 3.628 -11.250 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.844 5.272 -11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.332 5.012 -9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.855 4.377 -10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.143 6.943 -10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.552 6.438 -11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.709 8.265 -10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.630 6.997 -11.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.314 7.045 -9.734 1.00 0.00 H new ATOM 531 N VAL A 32 -4.527 4.252 -7.265 1.00 0.00 N ATOM 532 CA VAL A 32 -5.384 3.560 -6.317 1.00 0.00 C ATOM 533 C VAL A 32 -6.673 3.132 -7.021 1.00 0.00 C ATOM 534 O VAL A 32 -7.589 3.935 -7.187 1.00 0.00 O ATOM 535 CB VAL A 32 -5.635 4.445 -5.095 1.00 0.00 C ATOM 536 CG1 VAL A 32 -6.727 3.851 -4.203 1.00 0.00 C ATOM 537 CG2 VAL A 32 -4.344 4.670 -4.306 1.00 0.00 C ATOM 0 H VAL A 32 -4.037 5.061 -6.884 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.897 2.656 -5.951 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.983 5.415 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.886 4.500 -3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.654 3.767 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.420 2.863 -3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.551 5.302 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.952 3.711 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.608 5.158 -4.945 1.00 0.00 H new ATOM 547 N PRO A 33 -6.704 1.834 -7.425 1.00 0.00 N ATOM 548 CA PRO A 33 -7.866 1.289 -8.107 1.00 0.00 C ATOM 549 C PRO A 33 -9.014 1.047 -7.125 1.00 0.00 C ATOM 550 O PRO A 33 -8.787 0.881 -5.927 1.00 0.00 O ATOM 551 CB PRO A 33 -7.371 0.014 -8.769 1.00 0.00 C ATOM 552 CG PRO A 33 -6.080 -0.353 -8.056 1.00 0.00 C ATOM 553 CD PRO A 33 -5.637 0.854 -7.244 1.00 0.00 C ATOM 0 HA PRO A 33 -8.278 1.973 -8.849 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.108 -0.784 -8.678 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.198 0.169 -9.834 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.234 -1.215 -7.406 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.311 -0.631 -8.777 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.508 0.598 -6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.681 1.240 -7.597 1.00 0.00 H new ATOM 561 N PRO A 34 -10.254 1.033 -7.683 1.00 0.00 N ATOM 562 CA PRO A 34 -11.438 0.814 -6.870 1.00 0.00 C ATOM 563 C PRO A 34 -11.564 -0.658 -6.470 1.00 0.00 C ATOM 564 O PRO A 34 -11.071 -1.539 -7.172 1.00 0.00 O ATOM 565 CB PRO A 34 -12.598 1.299 -7.724 1.00 0.00 C ATOM 566 CG PRO A 34 -12.076 1.338 -9.152 1.00 0.00 C ATOM 567 CD PRO A 34 -10.561 1.226 -9.097 1.00 0.00 C ATOM 0 HA PRO A 34 -11.404 1.355 -5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.453 0.628 -7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -12.933 2.285 -7.404 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -12.498 0.520 -9.735 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.373 2.265 -9.642 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.204 0.389 -9.697 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -10.083 2.125 -9.487 1.00 0.00 H new ATOM 575 N PRO A 35 -12.244 -0.883 -5.314 1.00 0.00 N ATOM 576 CA PRO A 35 -12.441 -2.233 -4.813 1.00 0.00 C ATOM 577 C PRO A 35 -13.508 -2.969 -5.625 1.00 0.00 C ATOM 578 O PRO A 35 -14.387 -2.342 -6.214 1.00 0.00 O ATOM 579 CB PRO A 35 -12.821 -2.058 -3.352 1.00 0.00 C ATOM 580 CG PRO A 35 -13.276 -0.615 -3.209 1.00 0.00 C ATOM 581 CD PRO A 35 -12.841 0.137 -4.457 1.00 0.00 C ATOM 0 HA PRO A 35 -11.548 -2.852 -4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.616 -2.748 -3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.973 -2.266 -2.700 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.359 -0.566 -3.092 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.838 -0.163 -2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.689 0.618 -4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.124 0.922 -4.217 1.00 0.00 H new ATOM 589 N PRO A 36 -13.393 -4.324 -5.631 1.00 0.00 N ATOM 590 CA PRO A 36 -14.337 -5.153 -6.361 1.00 0.00 C ATOM 591 C PRO A 36 -15.676 -5.235 -5.626 1.00 0.00 C ATOM 592 O PRO A 36 -15.776 -4.844 -4.464 1.00 0.00 O ATOM 593 CB PRO A 36 -13.651 -6.502 -6.499 1.00 0.00 C ATOM 594 CG PRO A 36 -12.555 -6.523 -5.446 1.00 0.00 C ATOM 595 CD PRO A 36 -12.364 -5.101 -4.945 1.00 0.00 C ATOM 0 HA PRO A 36 -14.585 -4.746 -7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.358 -7.317 -6.343 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.235 -6.628 -7.498 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.828 -7.184 -4.624 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.627 -6.907 -5.869 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.480 -5.044 -3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.366 -4.730 -5.178 1.00 0.00 H new ATOM 603 N PRO A 37 -16.699 -5.760 -6.353 1.00 0.00 N ATOM 604 CA PRO A 37 -18.029 -5.898 -5.782 1.00 0.00 C ATOM 605 C PRO A 37 -18.083 -7.068 -4.797 1.00 0.00 C ATOM 606 O PRO A 37 -17.874 -8.217 -5.181 1.00 0.00 O ATOM 607 CB PRO A 37 -18.951 -6.084 -6.976 1.00 0.00 C ATOM 608 CG PRO A 37 -18.059 -6.506 -8.131 1.00 0.00 C ATOM 609 CD PRO A 37 -16.618 -6.233 -7.731 1.00 0.00 C ATOM 0 HA PRO A 37 -18.328 -5.029 -5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -19.708 -6.841 -6.771 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -19.480 -5.160 -7.209 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -18.199 -7.563 -8.355 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.316 -5.952 -9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.009 -7.134 -7.805 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.162 -5.486 -8.380 1.00 0.00 H new ATOM 617 N GLY A 38 -18.365 -6.733 -3.546 1.00 0.00 N ATOM 618 CA GLY A 38 -18.450 -7.741 -2.503 1.00 0.00 C ATOM 619 C GLY A 38 -17.531 -7.395 -1.330 1.00 0.00 C ATOM 620 O GLY A 38 -17.991 -7.241 -0.200 1.00 0.00 O ATOM 0 H GLY A 38 -18.537 -5.778 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.479 -7.821 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.176 -8.714 -2.910 1.00 0.00 H new ATOM 624 N VAL A 39 -16.247 -7.283 -1.639 1.00 0.00 N ATOM 625 CA VAL A 39 -15.259 -6.957 -0.624 1.00 0.00 C ATOM 626 C VAL A 39 -15.841 -5.915 0.333 1.00 0.00 C ATOM 627 O VAL A 39 -16.483 -4.959 -0.100 1.00 0.00 O ATOM 628 CB VAL A 39 -13.959 -6.499 -1.288 1.00 0.00 C ATOM 629 CG1 VAL A 39 -14.211 -5.327 -2.237 1.00 0.00 C ATOM 630 CG2 VAL A 39 -12.905 -6.138 -0.238 1.00 0.00 C ATOM 0 H VAL A 39 -15.868 -7.412 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 39 -15.013 -7.839 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 39 -13.573 -7.330 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.271 -5.021 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -14.911 -5.632 -3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -14.631 -4.491 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.991 -5.816 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.280 -5.330 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.693 -7.011 0.380 1.00 0.00 H new ATOM 640 N GLU A 40 -15.597 -6.135 1.616 1.00 0.00 N ATOM 641 CA GLU A 40 -16.089 -5.227 2.638 1.00 0.00 C ATOM 642 C GLU A 40 -14.927 -4.451 3.262 1.00 0.00 C ATOM 643 O GLU A 40 -14.009 -5.046 3.823 1.00 0.00 O ATOM 644 CB GLU A 40 -16.881 -5.982 3.707 1.00 0.00 C ATOM 645 CG GLU A 40 -17.043 -5.134 4.971 1.00 0.00 C ATOM 646 CD GLU A 40 -18.450 -5.283 5.554 1.00 0.00 C ATOM 647 OE1 GLU A 40 -19.326 -4.499 5.131 1.00 0.00 O ATOM 648 OE2 GLU A 40 -18.616 -6.178 6.411 1.00 0.00 O ATOM 0 H GLU A 40 -15.065 -6.929 1.972 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.766 -4.514 2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -17.863 -6.250 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -16.371 -6.913 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.304 -5.436 5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.851 -4.087 4.738 1.00 0.00 H new ATOM 655 N LEU A 41 -15.006 -3.134 3.144 1.00 0.00 N ATOM 656 CA LEU A 41 -13.973 -2.270 3.690 1.00 0.00 C ATOM 657 C LEU A 41 -14.366 -1.844 5.106 1.00 0.00 C ATOM 658 O LEU A 41 -15.544 -1.635 5.390 1.00 0.00 O ATOM 659 CB LEU A 41 -13.703 -1.096 2.747 1.00 0.00 C ATOM 660 CG LEU A 41 -13.394 -1.460 1.293 1.00 0.00 C ATOM 661 CD1 LEU A 41 -14.345 -0.742 0.334 1.00 0.00 C ATOM 662 CD2 LEU A 41 -11.926 -1.184 0.959 1.00 0.00 C ATOM 0 H LEU A 41 -15.770 -2.644 2.678 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.029 -2.809 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.572 -0.439 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.865 -0.523 3.143 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.557 -2.530 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.104 -1.018 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.372 -1.031 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.238 0.336 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.733 -1.451 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.712 -0.126 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.286 -1.778 1.611 1.00 0.00 H new ATOM 674 N GLU A 42 -13.356 -1.728 5.956 1.00 0.00 N ATOM 675 CA GLU A 42 -13.582 -1.330 7.335 1.00 0.00 C ATOM 676 C GLU A 42 -13.114 0.110 7.556 1.00 0.00 C ATOM 677 O GLU A 42 -11.948 0.429 7.328 1.00 0.00 O ATOM 678 CB GLU A 42 -12.883 -2.288 8.303 1.00 0.00 C ATOM 679 CG GLU A 42 -13.227 -1.948 9.754 1.00 0.00 C ATOM 680 CD GLU A 42 -13.143 -3.191 10.643 1.00 0.00 C ATOM 681 OE1 GLU A 42 -13.941 -4.121 10.395 1.00 0.00 O ATOM 682 OE2 GLU A 42 -12.283 -3.183 11.550 1.00 0.00 O ATOM 0 H GLU A 42 -12.380 -1.903 5.716 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.652 -1.378 7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.182 -3.313 8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.804 -2.233 8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.543 -1.185 10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.231 -1.528 9.805 1.00 0.00 H new ATOM 689 N ARG A 43 -14.048 0.940 7.996 1.00 0.00 N ATOM 690 CA ARG A 43 -13.746 2.339 8.250 1.00 0.00 C ATOM 691 C ARG A 43 -12.688 2.463 9.348 1.00 0.00 C ATOM 692 O ARG A 43 -12.738 1.746 10.346 1.00 0.00 O ATOM 693 CB ARG A 43 -15.001 3.105 8.671 1.00 0.00 C ATOM 694 CG ARG A 43 -14.654 4.532 9.103 1.00 0.00 C ATOM 695 CD ARG A 43 -15.713 5.524 8.619 1.00 0.00 C ATOM 696 NE ARG A 43 -17.053 5.102 9.085 1.00 0.00 N ATOM 697 CZ ARG A 43 -17.582 5.451 10.266 1.00 0.00 C ATOM 698 NH1 ARG A 43 -16.888 6.230 11.107 1.00 0.00 N ATOM 699 NH2 ARG A 43 -18.804 5.021 10.606 1.00 0.00 N ATOM 0 H ARG A 43 -15.014 0.671 8.183 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.365 2.770 7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.709 3.134 7.842 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.492 2.582 9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.577 4.578 10.189 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.679 4.810 8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.486 6.522 8.994 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.699 5.581 7.531 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.609 4.509 8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.957 6.557 10.848 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.291 6.496 12.006 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.332 4.428 9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.206 5.287 11.505 1.00 0.00 H new ATOM 713 N VAL A 44 -11.756 3.378 9.127 1.00 0.00 N ATOM 714 CA VAL A 44 -10.688 3.605 10.086 1.00 0.00 C ATOM 715 C VAL A 44 -11.062 4.781 10.990 1.00 0.00 C ATOM 716 O VAL A 44 -10.769 5.932 10.669 1.00 0.00 O ATOM 717 CB VAL A 44 -9.362 3.812 9.352 1.00 0.00 C ATOM 718 CG1 VAL A 44 -8.207 3.973 10.343 1.00 0.00 C ATOM 719 CG2 VAL A 44 -9.091 2.667 8.375 1.00 0.00 C ATOM 0 H VAL A 44 -11.718 3.971 8.298 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.557 2.733 10.726 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.439 4.733 8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.276 4.119 9.796 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.392 4.837 10.980 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.129 3.078 10.960 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.142 2.839 7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.044 1.725 8.922 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.894 2.619 7.639 1.00 0.00 H new ATOM 729 N HIS A 45 -11.703 4.452 12.102 1.00 0.00 N ATOM 730 CA HIS A 45 -12.119 5.467 13.054 1.00 0.00 C ATOM 731 C HIS A 45 -10.932 6.371 13.393 1.00 0.00 C ATOM 732 O HIS A 45 -11.079 7.589 13.477 1.00 0.00 O ATOM 733 CB HIS A 45 -12.748 4.825 14.292 1.00 0.00 C ATOM 734 CG HIS A 45 -14.220 4.523 14.147 1.00 0.00 C ATOM 735 ND1 HIS A 45 -15.134 4.083 15.059 1.00 0.00 N flip ATOM 736 CD2 HIS A 45 -14.901 4.666 12.950 1.00 0.00 C flip ATOM 737 CE1 HIS A 45 -16.309 3.965 14.453 1.00 0.00 C flip ATOM 738 NE2 HIS A 45 -16.166 4.326 13.145 1.00 0.00 N flip ATOM 0 H HIS A 45 -11.944 3.496 12.365 1.00 0.00 H new ATOM 0 HA HIS A 45 -12.892 6.093 12.608 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.218 3.899 14.517 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.606 5.489 15.145 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -14.946 3.879 16.041 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -14.473 4.998 12.016 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -17.227 3.637 14.918 1.00 0.00 H new ATOM 746 N GLU A 46 -9.783 5.739 13.578 1.00 0.00 N ATOM 747 CA GLU A 46 -8.571 6.471 13.906 1.00 0.00 C ATOM 748 C GLU A 46 -8.468 7.737 13.052 1.00 0.00 C ATOM 749 O GLU A 46 -7.950 8.756 13.506 1.00 0.00 O ATOM 750 CB GLU A 46 -7.333 5.589 13.731 1.00 0.00 C ATOM 751 CG GLU A 46 -6.293 5.883 14.813 1.00 0.00 C ATOM 752 CD GLU A 46 -6.423 4.901 15.980 1.00 0.00 C ATOM 753 OE1 GLU A 46 -7.576 4.675 16.405 1.00 0.00 O ATOM 754 OE2 GLU A 46 -5.366 4.398 16.419 1.00 0.00 O ATOM 0 H GLU A 46 -9.665 4.728 13.507 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.621 6.766 14.954 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.621 4.539 13.775 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.897 5.759 12.747 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.292 5.817 14.387 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.419 6.903 15.176 1.00 0.00 H new ATOM 761 N CYS A 47 -8.970 7.630 11.830 1.00 0.00 N ATOM 762 CA CYS A 47 -8.941 8.753 10.909 1.00 0.00 C ATOM 763 C CYS A 47 -10.298 9.457 10.966 1.00 0.00 C ATOM 764 O CYS A 47 -11.341 8.805 10.927 1.00 0.00 O ATOM 765 CB CYS A 47 -8.586 8.310 9.488 1.00 0.00 C ATOM 766 SG CYS A 47 -7.869 9.712 8.556 1.00 0.00 S ATOM 0 H CYS A 47 -9.399 6.783 11.457 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.159 9.451 11.207 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -7.875 7.484 9.523 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.477 7.942 8.979 1.00 0.00 H new ATOM 0 HG CYS A 47 -8.733 10.142 7.685 1.00 0.00 H new ATOM 772 N GLN A 48 -10.241 10.777 11.056 1.00 0.00 N ATOM 773 CA GLN A 48 -11.454 11.576 11.119 1.00 0.00 C ATOM 774 C GLN A 48 -12.346 11.281 9.912 1.00 0.00 C ATOM 775 O GLN A 48 -13.564 11.168 10.048 1.00 0.00 O ATOM 776 CB GLN A 48 -11.124 13.067 11.205 1.00 0.00 C ATOM 777 CG GLN A 48 -10.061 13.333 12.273 1.00 0.00 C ATOM 778 CD GLN A 48 -10.562 14.344 13.306 1.00 0.00 C ATOM 779 OE1 GLN A 48 -11.717 14.737 13.318 1.00 0.00 O ATOM 780 NE2 GLN A 48 -9.632 14.741 14.170 1.00 0.00 N ATOM 0 H GLN A 48 -9.374 11.314 11.087 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.998 11.305 12.024 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.769 13.421 10.237 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.028 13.630 11.438 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.799 12.399 12.770 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.153 13.709 11.802 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.683 14.372 14.104 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.867 15.414 14.899 1.00 0.00 H new ATOM 789 N THR A 49 -11.707 11.164 8.757 1.00 0.00 N ATOM 790 CA THR A 49 -12.428 10.884 7.527 1.00 0.00 C ATOM 791 C THR A 49 -12.827 9.408 7.467 1.00 0.00 C ATOM 792 O THR A 49 -12.201 8.566 8.108 1.00 0.00 O ATOM 793 CB THR A 49 -11.550 11.325 6.354 1.00 0.00 C ATOM 794 OG1 THR A 49 -10.391 10.503 6.459 1.00 0.00 O ATOM 795 CG2 THR A 49 -11.015 12.748 6.526 1.00 0.00 C ATOM 0 H THR A 49 -10.697 11.258 8.647 1.00 0.00 H new ATOM 0 HA THR A 49 -13.363 11.443 7.480 1.00 0.00 H new ATOM 0 HB THR A 49 -12.122 11.262 5.429 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.110 10.218 5.564 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.398 13.011 5.667 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.850 13.444 6.600 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.415 12.804 7.434 1.00 0.00 H new ATOM 803 N PRO A 50 -13.893 9.134 6.669 1.00 0.00 N ATOM 804 CA PRO A 50 -14.383 7.774 6.517 1.00 0.00 C ATOM 805 C PRO A 50 -13.456 6.955 5.617 1.00 0.00 C ATOM 806 O PRO A 50 -13.786 6.681 4.464 1.00 0.00 O ATOM 807 CB PRO A 50 -15.784 7.923 5.947 1.00 0.00 C ATOM 808 CG PRO A 50 -15.853 9.327 5.369 1.00 0.00 C ATOM 809 CD PRO A 50 -14.659 10.106 5.895 1.00 0.00 C ATOM 0 HA PRO A 50 -14.406 7.227 7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.974 7.174 5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -16.538 7.782 6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.837 9.293 4.280 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.784 9.814 5.659 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.065 10.519 5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -14.976 10.945 6.515 1.00 0.00 H new ATOM 817 N PHE A 51 -12.313 6.587 6.178 1.00 0.00 N ATOM 818 CA PHE A 51 -11.336 5.804 5.441 1.00 0.00 C ATOM 819 C PHE A 51 -11.609 4.306 5.587 1.00 0.00 C ATOM 820 O PHE A 51 -11.545 3.765 6.690 1.00 0.00 O ATOM 821 CB PHE A 51 -9.964 6.122 6.041 1.00 0.00 C ATOM 822 CG PHE A 51 -8.789 5.777 5.124 1.00 0.00 C ATOM 823 CD1 PHE A 51 -9.010 5.129 3.949 1.00 0.00 C ATOM 824 CD2 PHE A 51 -7.523 6.120 5.483 1.00 0.00 C ATOM 825 CE1 PHE A 51 -7.920 4.809 3.098 1.00 0.00 C ATOM 826 CE2 PHE A 51 -6.432 5.801 4.632 1.00 0.00 C ATOM 827 CZ PHE A 51 -6.653 5.152 3.458 1.00 0.00 C ATOM 0 H PHE A 51 -12.042 6.817 7.134 1.00 0.00 H new ATOM 0 HA PHE A 51 -11.384 6.052 4.381 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.922 7.184 6.284 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -9.853 5.576 6.978 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -10.016 4.858 3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.347 6.635 6.416 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.096 4.294 2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.427 6.074 4.917 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.823 4.909 2.811 1.00 0.00 H new ATOM 837 N PHE A 52 -11.908 3.678 4.459 1.00 0.00 N ATOM 838 CA PHE A 52 -12.191 2.253 4.448 1.00 0.00 C ATOM 839 C PHE A 52 -11.036 1.470 3.821 1.00 0.00 C ATOM 840 O PHE A 52 -10.316 1.991 2.971 1.00 0.00 O ATOM 841 CB PHE A 52 -13.448 2.054 3.599 1.00 0.00 C ATOM 842 CG PHE A 52 -14.510 3.138 3.795 1.00 0.00 C ATOM 843 CD1 PHE A 52 -15.108 3.292 5.006 1.00 0.00 C ATOM 844 CD2 PHE A 52 -14.855 3.946 2.757 1.00 0.00 C ATOM 845 CE1 PHE A 52 -16.094 4.298 5.188 1.00 0.00 C ATOM 846 CE2 PHE A 52 -15.841 4.952 2.939 1.00 0.00 C ATOM 847 CZ PHE A 52 -16.440 5.107 4.151 1.00 0.00 C ATOM 0 H PHE A 52 -11.960 4.130 3.546 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.327 1.892 5.467 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.163 2.025 2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.885 1.084 3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.833 2.650 5.830 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.380 3.823 1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -16.569 4.421 6.150 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -16.115 5.594 2.115 1.00 0.00 H new ATOM 0 HZ PHE A 52 -17.190 5.872 4.289 1.00 0.00 H new ATOM 857 N VAL A 53 -10.895 0.229 4.265 1.00 0.00 N ATOM 858 CA VAL A 53 -9.841 -0.632 3.758 1.00 0.00 C ATOM 859 C VAL A 53 -10.200 -2.092 4.040 1.00 0.00 C ATOM 860 O VAL A 53 -11.161 -2.371 4.755 1.00 0.00 O ATOM 861 CB VAL A 53 -8.495 -0.220 4.359 1.00 0.00 C ATOM 862 CG1 VAL A 53 -8.203 -1.006 5.639 1.00 0.00 C ATOM 863 CG2 VAL A 53 -7.365 -0.390 3.341 1.00 0.00 C ATOM 0 H VAL A 53 -11.494 -0.200 4.970 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.746 -0.524 2.677 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.554 0.837 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.241 -0.694 6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.987 -0.813 6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.173 -2.072 5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.420 -0.090 3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.306 -1.434 3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.564 0.233 2.469 1.00 0.00 H new ATOM 873 N HIS A 54 -9.409 -2.985 3.464 1.00 0.00 N ATOM 874 CA HIS A 54 -9.631 -4.409 3.645 1.00 0.00 C ATOM 875 C HIS A 54 -8.394 -5.184 3.189 1.00 0.00 C ATOM 876 O HIS A 54 -7.955 -5.045 2.048 1.00 0.00 O ATOM 877 CB HIS A 54 -10.907 -4.855 2.928 1.00 0.00 C ATOM 878 CG HIS A 54 -11.134 -6.348 2.948 1.00 0.00 C ATOM 879 ND1 HIS A 54 -10.964 -7.288 1.975 1.00 0.00 N flip ATOM 880 CD2 HIS A 54 -11.589 -7.022 4.068 1.00 0.00 C flip ATOM 881 CE1 HIS A 54 -11.296 -8.473 2.473 1.00 0.00 C flip ATOM 882 NE2 HIS A 54 -11.684 -8.310 3.770 1.00 0.00 N flip ATOM 0 H HIS A 54 -8.613 -2.750 2.871 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.783 -4.625 4.703 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -11.762 -4.362 3.390 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.866 -4.518 1.892 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -10.637 -7.111 1.025 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -11.826 -6.575 5.022 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.264 -9.411 1.939 1.00 0.00 H new ATOM 890 N ALA A 55 -7.865 -5.984 4.103 1.00 0.00 N ATOM 891 CA ALA A 55 -6.687 -6.782 3.809 1.00 0.00 C ATOM 892 C ALA A 55 -7.080 -8.258 3.736 1.00 0.00 C ATOM 893 O ALA A 55 -7.890 -8.729 4.534 1.00 0.00 O ATOM 894 CB ALA A 55 -5.614 -6.516 4.867 1.00 0.00 C ATOM 0 H ALA A 55 -8.231 -6.097 5.048 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.268 -6.505 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.730 -7.114 4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.348 -5.459 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.999 -6.785 5.851 1.00 0.00 H new ATOM 900 N ASP A 56 -6.490 -8.948 2.772 1.00 0.00 N ATOM 901 CA ASP A 56 -6.768 -10.362 2.585 1.00 0.00 C ATOM 902 C ASP A 56 -5.524 -11.052 2.022 1.00 0.00 C ATOM 903 O ASP A 56 -4.551 -10.391 1.666 1.00 0.00 O ATOM 904 CB ASP A 56 -7.914 -10.570 1.592 1.00 0.00 C ATOM 905 CG ASP A 56 -9.256 -10.949 2.224 1.00 0.00 C ATOM 906 OD1 ASP A 56 -9.342 -10.862 3.468 1.00 0.00 O ATOM 907 OD2 ASP A 56 -10.165 -11.316 1.449 1.00 0.00 O ATOM 0 H ASP A 56 -5.820 -8.554 2.111 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.046 -10.782 3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.046 -9.654 1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.627 -11.351 0.888 1.00 0.00 H new ATOM 912 N VAL A 57 -5.598 -12.374 1.959 1.00 0.00 N ATOM 913 CA VAL A 57 -4.490 -13.161 1.446 1.00 0.00 C ATOM 914 C VAL A 57 -4.989 -14.058 0.312 1.00 0.00 C ATOM 915 O VAL A 57 -5.757 -14.991 0.545 1.00 0.00 O ATOM 916 CB VAL A 57 -3.834 -13.946 2.584 1.00 0.00 C ATOM 917 CG1 VAL A 57 -2.763 -14.898 2.048 1.00 0.00 C ATOM 918 CG2 VAL A 57 -3.250 -13.001 3.636 1.00 0.00 C ATOM 0 H VAL A 57 -6.408 -12.919 2.255 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.720 -12.511 1.031 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.606 -14.547 3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.313 -15.443 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.218 -15.604 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.994 -14.325 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.790 -13.584 4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.498 -12.362 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.046 -12.383 4.051 1.00 0.00 H new ATOM 928 N GLU A 58 -4.533 -13.745 -0.892 1.00 0.00 N ATOM 929 CA GLU A 58 -4.924 -14.511 -2.063 1.00 0.00 C ATOM 930 C GLU A 58 -3.699 -14.830 -2.922 1.00 0.00 C ATOM 931 O GLU A 58 -2.967 -13.928 -3.325 1.00 0.00 O ATOM 932 CB GLU A 58 -5.985 -13.767 -2.876 1.00 0.00 C ATOM 933 CG GLU A 58 -7.386 -14.026 -2.317 1.00 0.00 C ATOM 934 CD GLU A 58 -8.410 -14.163 -3.445 1.00 0.00 C ATOM 935 OE1 GLU A 58 -8.220 -15.077 -4.276 1.00 0.00 O ATOM 936 OE2 GLU A 58 -9.360 -13.351 -3.451 1.00 0.00 O ATOM 0 H GLU A 58 -3.896 -12.971 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.363 -15.451 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.776 -12.697 -2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.940 -14.086 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.379 -14.935 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.675 -13.208 -1.656 1.00 0.00 H new ATOM 943 N GLY A 59 -3.514 -16.117 -3.177 1.00 0.00 N ATOM 944 CA GLY A 59 -2.390 -16.567 -3.981 1.00 0.00 C ATOM 945 C GLY A 59 -1.064 -16.317 -3.259 1.00 0.00 C ATOM 946 O GLY A 59 -0.060 -15.992 -3.891 1.00 0.00 O ATOM 0 H GLY A 59 -4.124 -16.863 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.496 -17.630 -4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.391 -16.045 -4.938 1.00 0.00 H new ATOM 950 N GLY A 60 -1.104 -16.477 -1.944 1.00 0.00 N ATOM 951 CA GLY A 60 0.081 -16.273 -1.129 1.00 0.00 C ATOM 952 C GLY A 60 0.481 -14.797 -1.102 1.00 0.00 C ATOM 953 O GLY A 60 1.529 -14.443 -0.565 1.00 0.00 O ATOM 0 H GLY A 60 -1.939 -16.746 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.108 -16.621 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.904 -16.869 -1.522 1.00 0.00 H new ATOM 957 N LYS A 61 -0.376 -13.974 -1.689 1.00 0.00 N ATOM 958 CA LYS A 61 -0.126 -12.544 -1.739 1.00 0.00 C ATOM 959 C LYS A 61 -1.080 -11.829 -0.779 1.00 0.00 C ATOM 960 O LYS A 61 -1.921 -12.465 -0.146 1.00 0.00 O ATOM 961 CB LYS A 61 -0.209 -12.035 -3.180 1.00 0.00 C ATOM 962 CG LYS A 61 0.873 -12.677 -4.051 1.00 0.00 C ATOM 963 CD LYS A 61 0.648 -12.356 -5.530 1.00 0.00 C ATOM 964 CE LYS A 61 1.795 -11.513 -6.089 1.00 0.00 C ATOM 965 NZ LYS A 61 2.018 -11.824 -7.519 1.00 0.00 N ATOM 0 H LYS A 61 -1.244 -14.271 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 61 0.888 -12.323 -1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.193 -12.258 -3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.096 -10.951 -3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.854 -12.317 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.869 -13.757 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.563 -13.282 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.294 -11.820 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.566 -10.454 -5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.706 -11.706 -5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.800 -11.243 -7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.258 -12.831 -7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.153 -11.617 -8.058 1.00 0.00 H new ATOM 979 N VAL A 62 -0.916 -10.517 -0.700 1.00 0.00 N ATOM 980 CA VAL A 62 -1.751 -9.709 0.172 1.00 0.00 C ATOM 981 C VAL A 62 -2.667 -8.827 -0.679 1.00 0.00 C ATOM 982 O VAL A 62 -2.194 -7.961 -1.413 1.00 0.00 O ATOM 983 CB VAL A 62 -0.877 -8.907 1.138 1.00 0.00 C ATOM 984 CG1 VAL A 62 -1.731 -8.204 2.195 1.00 0.00 C ATOM 985 CG2 VAL A 62 0.180 -9.799 1.791 1.00 0.00 C ATOM 0 H VAL A 62 -0.217 -9.993 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.390 -10.345 0.785 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.358 -8.140 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.085 -7.641 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.427 -7.523 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.290 -8.947 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.787 -9.204 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.311 -10.598 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.818 -10.231 1.020 1.00 0.00 H new ATOM 995 N ARG A 63 -3.962 -9.079 -0.553 1.00 0.00 N ATOM 996 CA ARG A 63 -4.948 -8.319 -1.302 1.00 0.00 C ATOM 997 C ARG A 63 -5.259 -7.002 -0.586 1.00 0.00 C ATOM 998 O ARG A 63 -5.952 -6.992 0.429 1.00 0.00 O ATOM 999 CB ARG A 63 -6.243 -9.115 -1.474 1.00 0.00 C ATOM 1000 CG ARG A 63 -6.119 -10.123 -2.619 1.00 0.00 C ATOM 1001 CD ARG A 63 -5.882 -9.410 -3.952 1.00 0.00 C ATOM 1002 NE ARG A 63 -4.664 -9.945 -4.602 1.00 0.00 N ATOM 1003 CZ ARG A 63 -3.988 -9.310 -5.569 1.00 0.00 C ATOM 1004 NH1 ARG A 63 -4.407 -8.114 -6.004 1.00 0.00 N ATOM 1005 NH2 ARG A 63 -2.893 -9.871 -6.100 1.00 0.00 N ATOM 0 H ARG A 63 -4.351 -9.799 0.056 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.529 -8.112 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.478 -9.639 -0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.070 -8.433 -1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.296 -10.809 -2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.027 -10.724 -2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.743 -9.547 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.775 -8.338 -3.787 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.318 -10.854 -4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.240 -7.687 -5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.893 -7.630 -6.740 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.574 -10.781 -5.768 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.378 -9.388 -6.836 1.00 0.00 H new ATOM 1019 N LEU A 64 -4.730 -5.923 -1.145 1.00 0.00 N ATOM 1020 CA LEU A 64 -4.942 -4.605 -0.573 1.00 0.00 C ATOM 1021 C LEU A 64 -6.164 -3.960 -1.228 1.00 0.00 C ATOM 1022 O LEU A 64 -6.326 -4.023 -2.446 1.00 0.00 O ATOM 1023 CB LEU A 64 -3.669 -3.762 -0.682 1.00 0.00 C ATOM 1024 CG LEU A 64 -2.470 -4.250 0.134 1.00 0.00 C ATOM 1025 CD1 LEU A 64 -1.912 -5.555 -0.438 1.00 0.00 C ATOM 1026 CD2 LEU A 64 -1.397 -3.164 0.235 1.00 0.00 C ATOM 0 H LEU A 64 -4.155 -5.935 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.155 -4.683 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.375 -3.717 -1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.904 -2.744 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.810 -4.462 1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.061 -5.880 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.686 -6.322 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.592 -5.393 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.556 -3.537 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.054 -2.897 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.816 -2.283 0.722 1.00 0.00 H new ATOM 1038 N TYR A 65 -6.994 -3.353 -0.392 1.00 0.00 N ATOM 1039 CA TYR A 65 -8.197 -2.697 -0.875 1.00 0.00 C ATOM 1040 C TYR A 65 -8.434 -1.376 -0.140 1.00 0.00 C ATOM 1041 O TYR A 65 -8.592 -1.360 1.079 1.00 0.00 O ATOM 1042 CB TYR A 65 -9.351 -3.652 -0.566 1.00 0.00 C ATOM 1043 CG TYR A 65 -9.352 -4.923 -1.419 1.00 0.00 C ATOM 1044 CD1 TYR A 65 -9.557 -4.840 -2.781 1.00 0.00 C ATOM 1045 CD2 TYR A 65 -9.147 -6.152 -0.825 1.00 0.00 C ATOM 1046 CE1 TYR A 65 -9.558 -6.036 -3.583 1.00 0.00 C ATOM 1047 CE2 TYR A 65 -9.148 -7.348 -1.628 1.00 0.00 C ATOM 1048 CZ TYR A 65 -9.353 -7.231 -2.967 1.00 0.00 C ATOM 1049 OH TYR A 65 -9.354 -8.360 -3.724 1.00 0.00 O ATOM 0 H TYR A 65 -6.857 -3.302 0.617 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.112 -2.474 -1.939 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.305 -3.933 0.486 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.294 -3.126 -0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.717 -3.878 -3.245 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.986 -6.217 0.241 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.718 -5.985 -4.650 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.989 -8.316 -1.176 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.194 -9.138 -3.151 1.00 0.00 H new ATOM 1059 N PHE A 66 -8.450 -0.300 -0.913 1.00 0.00 N ATOM 1060 CA PHE A 66 -8.665 1.022 -0.351 1.00 0.00 C ATOM 1061 C PHE A 66 -9.857 1.713 -1.016 1.00 0.00 C ATOM 1062 O PHE A 66 -10.147 1.470 -2.186 1.00 0.00 O ATOM 1063 CB PHE A 66 -7.400 1.837 -0.628 1.00 0.00 C ATOM 1064 CG PHE A 66 -6.175 1.371 0.161 1.00 0.00 C ATOM 1065 CD1 PHE A 66 -6.086 1.626 1.494 1.00 0.00 C ATOM 1066 CD2 PHE A 66 -5.174 0.701 -0.471 1.00 0.00 C ATOM 1067 CE1 PHE A 66 -4.949 1.193 2.226 1.00 0.00 C ATOM 1068 CE2 PHE A 66 -4.036 0.268 0.261 1.00 0.00 C ATOM 1069 CZ PHE A 66 -3.948 0.523 1.594 1.00 0.00 C ATOM 0 H PHE A 66 -8.317 -0.317 -1.924 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.873 0.943 0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.174 1.787 -1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.595 2.883 -0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.881 2.158 1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.244 0.498 -1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.879 1.396 3.285 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.241 -0.263 -0.241 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.083 0.194 2.151 1.00 0.00 H new ATOM 1079 N HIS A 67 -10.517 2.561 -0.240 1.00 0.00 N ATOM 1080 CA HIS A 67 -11.671 3.289 -0.738 1.00 0.00 C ATOM 1081 C HIS A 67 -11.771 4.641 -0.029 1.00 0.00 C ATOM 1082 O HIS A 67 -11.975 4.697 1.183 1.00 0.00 O ATOM 1083 CB HIS A 67 -12.944 2.451 -0.599 1.00 0.00 C ATOM 1084 CG HIS A 67 -14.181 3.116 -1.153 1.00 0.00 C ATOM 1085 ND1 HIS A 67 -14.560 4.402 -0.806 1.00 0.00 N ATOM 1086 CD2 HIS A 67 -15.120 2.662 -2.032 1.00 0.00 C ATOM 1087 CE1 HIS A 67 -15.678 4.697 -1.453 1.00 0.00 C ATOM 1088 NE2 HIS A 67 -16.024 3.617 -2.211 1.00 0.00 N ATOM 0 H HIS A 67 -10.274 2.760 0.730 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.549 3.485 -1.803 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.797 1.499 -1.108 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.106 2.227 0.455 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.127 1.690 -2.503 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.220 5.629 -1.391 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.843 3.554 -2.816 1.00 0.00 H new ATOM 1096 N VAL A 68 -11.623 5.698 -0.814 1.00 0.00 N ATOM 1097 CA VAL A 68 -11.694 7.046 -0.277 1.00 0.00 C ATOM 1098 C VAL A 68 -12.825 7.808 -0.970 1.00 0.00 C ATOM 1099 O VAL A 68 -12.780 8.026 -2.180 1.00 0.00 O ATOM 1100 CB VAL A 68 -10.335 7.736 -0.414 1.00 0.00 C ATOM 1101 CG1 VAL A 68 -10.406 9.186 0.070 1.00 0.00 C ATOM 1102 CG2 VAL A 68 -9.249 6.961 0.334 1.00 0.00 C ATOM 0 H VAL A 68 -11.454 5.648 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.925 7.021 0.788 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.070 7.748 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.427 9.654 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.137 9.733 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.704 9.205 1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.293 7.473 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.506 6.903 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.172 5.954 -0.076 1.00 0.00 H new ATOM 1112 N PRO A 69 -13.838 8.203 -0.153 1.00 0.00 N ATOM 1113 CA PRO A 69 -14.978 8.936 -0.676 1.00 0.00 C ATOM 1114 C PRO A 69 -14.605 10.390 -0.973 1.00 0.00 C ATOM 1115 O PRO A 69 -14.575 10.802 -2.132 1.00 0.00 O ATOM 1116 CB PRO A 69 -16.053 8.805 0.391 1.00 0.00 C ATOM 1117 CG PRO A 69 -15.328 8.403 1.666 1.00 0.00 C ATOM 1118 CD PRO A 69 -13.924 7.962 1.284 1.00 0.00 C ATOM 0 HA PRO A 69 -15.331 8.541 -1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.587 9.746 0.525 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -16.793 8.056 0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.289 9.240 2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -15.859 7.594 2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.169 8.531 1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.761 6.910 1.520 1.00 0.00 H new ATOM 1126 N ASP A 70 -14.331 11.127 0.093 1.00 0.00 N ATOM 1127 CA ASP A 70 -13.962 12.526 -0.039 1.00 0.00 C ATOM 1128 C ASP A 70 -12.940 12.675 -1.168 1.00 0.00 C ATOM 1129 O ASP A 70 -12.837 13.736 -1.782 1.00 0.00 O ATOM 1130 CB ASP A 70 -13.324 13.051 1.249 1.00 0.00 C ATOM 1131 CG ASP A 70 -12.613 11.994 2.096 1.00 0.00 C ATOM 1132 OD1 ASP A 70 -11.441 11.703 1.774 1.00 0.00 O ATOM 1133 OD2 ASP A 70 -13.258 11.502 3.047 1.00 0.00 O ATOM 0 H ASP A 70 -14.357 10.782 1.052 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.867 13.095 -0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.607 13.830 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.099 13.520 1.856 1.00 0.00 H new ATOM 1138 N GLU A 71 -12.209 11.596 -1.407 1.00 0.00 N ATOM 1139 CA GLU A 71 -11.199 11.593 -2.451 1.00 0.00 C ATOM 1140 C GLU A 71 -10.014 12.472 -2.046 1.00 0.00 C ATOM 1141 O GLU A 71 -9.364 13.076 -2.898 1.00 0.00 O ATOM 1142 CB GLU A 71 -11.789 12.050 -3.787 1.00 0.00 C ATOM 1143 CG GLU A 71 -11.980 10.865 -4.736 1.00 0.00 C ATOM 1144 CD GLU A 71 -12.225 11.344 -6.168 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -11.344 12.064 -6.685 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -13.289 10.979 -6.714 1.00 0.00 O ATOM 0 H GLU A 71 -12.296 10.718 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.841 10.571 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.747 12.542 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.130 12.786 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.097 10.226 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.822 10.259 -4.402 1.00 0.00 H new ATOM 1153 N ALA A 72 -9.769 12.517 -0.745 1.00 0.00 N ATOM 1154 CA ALA A 72 -8.674 13.312 -0.216 1.00 0.00 C ATOM 1155 C ALA A 72 -7.358 12.833 -0.832 1.00 0.00 C ATOM 1156 O ALA A 72 -7.067 11.638 -0.831 1.00 0.00 O ATOM 1157 CB ALA A 72 -8.669 13.224 1.311 1.00 0.00 C ATOM 0 H ALA A 72 -10.310 12.015 -0.041 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.800 14.362 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.847 13.821 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.614 13.604 1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.542 12.185 1.615 1.00 0.00 H new ATOM 1163 N PRO A 73 -6.577 13.816 -1.356 1.00 0.00 N ATOM 1164 CA PRO A 73 -5.299 13.507 -1.974 1.00 0.00 C ATOM 1165 C PRO A 73 -4.242 13.185 -0.916 1.00 0.00 C ATOM 1166 O PRO A 73 -3.126 12.790 -1.248 1.00 0.00 O ATOM 1167 CB PRO A 73 -4.955 14.734 -2.802 1.00 0.00 C ATOM 1168 CG PRO A 73 -5.816 15.861 -2.255 1.00 0.00 C ATOM 1169 CD PRO A 73 -6.890 15.242 -1.375 1.00 0.00 C ATOM 0 HA PRO A 73 -5.340 12.617 -2.603 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.896 14.977 -2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.161 14.563 -3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.209 16.561 -1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.269 16.426 -3.070 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.871 15.665 -0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.886 15.423 -1.779 1.00 0.00 H new ATOM 1177 N THR A 74 -4.632 13.366 0.338 1.00 0.00 N ATOM 1178 CA THR A 74 -3.732 13.099 1.447 1.00 0.00 C ATOM 1179 C THR A 74 -3.981 11.699 2.012 1.00 0.00 C ATOM 1180 O THR A 74 -3.039 10.993 2.369 1.00 0.00 O ATOM 1181 CB THR A 74 -3.914 14.212 2.481 1.00 0.00 C ATOM 1182 OG1 THR A 74 -5.248 14.038 2.948 1.00 0.00 O ATOM 1183 CG2 THR A 74 -3.919 15.605 1.847 1.00 0.00 C ATOM 0 H THR A 74 -5.559 13.694 0.610 1.00 0.00 H new ATOM 0 HA THR A 74 -2.692 13.103 1.122 1.00 0.00 H new ATOM 0 HB THR A 74 -3.116 14.153 3.221 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.449 14.718 3.624 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.051 16.358 2.624 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.972 15.775 1.334 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.737 15.676 1.130 1.00 0.00 H new ATOM 1191 N VAL A 75 -5.255 11.339 2.074 1.00 0.00 N ATOM 1192 CA VAL A 75 -5.640 10.036 2.589 1.00 0.00 C ATOM 1193 C VAL A 75 -5.446 8.983 1.496 1.00 0.00 C ATOM 1194 O VAL A 75 -4.995 7.872 1.772 1.00 0.00 O ATOM 1195 CB VAL A 75 -7.072 10.087 3.123 1.00 0.00 C ATOM 1196 CG1 VAL A 75 -7.625 8.677 3.346 1.00 0.00 C ATOM 1197 CG2 VAL A 75 -7.150 10.916 4.406 1.00 0.00 C ATOM 0 H VAL A 75 -6.033 11.927 1.776 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.005 9.754 3.428 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.692 10.575 2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.645 8.742 3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.623 8.132 2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.001 8.152 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.179 10.936 4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.509 10.470 5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.817 11.934 4.202 1.00 0.00 H new ATOM 1207 N LYS A 76 -5.796 9.369 0.278 1.00 0.00 N ATOM 1208 CA LYS A 76 -5.666 8.472 -0.858 1.00 0.00 C ATOM 1209 C LYS A 76 -4.184 8.290 -1.191 1.00 0.00 C ATOM 1210 O LYS A 76 -3.715 7.165 -1.356 1.00 0.00 O ATOM 1211 CB LYS A 76 -6.504 8.974 -2.035 1.00 0.00 C ATOM 1212 CG LYS A 76 -7.128 7.806 -2.802 1.00 0.00 C ATOM 1213 CD LYS A 76 -8.173 8.302 -3.803 1.00 0.00 C ATOM 1214 CE LYS A 76 -8.444 7.250 -4.880 1.00 0.00 C ATOM 1215 NZ LYS A 76 -9.869 7.272 -5.280 1.00 0.00 N ATOM 0 H LYS A 76 -6.170 10.291 0.053 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.061 7.486 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.290 9.635 -1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.879 9.562 -2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.349 7.254 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.592 7.112 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.099 8.539 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.826 9.224 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.813 7.440 -5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.181 6.261 -4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.035 6.552 -6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.465 7.069 -4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.109 8.211 -5.657 1.00 0.00 H new ATOM 1229 N ALA A 77 -3.488 9.414 -1.281 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.069 9.392 -1.591 1.00 0.00 C ATOM 1231 C ALA A 77 -1.402 8.244 -0.831 1.00 0.00 C ATOM 1232 O ALA A 77 -0.889 7.306 -1.441 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.451 10.750 -1.254 1.00 0.00 C ATOM 0 H ALA A 77 -3.881 10.346 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.912 9.217 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.386 10.733 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.939 11.528 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.587 10.958 -0.193 1.00 0.00 H new ATOM 1239 N PHE A 78 -1.431 8.354 0.489 1.00 0.00 N ATOM 1240 CA PHE A 78 -0.836 7.337 1.338 1.00 0.00 C ATOM 1241 C PHE A 78 -1.340 5.943 0.960 1.00 0.00 C ATOM 1242 O PHE A 78 -0.544 5.032 0.734 1.00 0.00 O ATOM 1243 CB PHE A 78 -1.263 7.648 2.774 1.00 0.00 C ATOM 1244 CG PHE A 78 -0.329 7.070 3.840 1.00 0.00 C ATOM 1245 CD1 PHE A 78 0.973 7.459 3.886 1.00 0.00 C ATOM 1246 CD2 PHE A 78 -0.802 6.168 4.741 1.00 0.00 C ATOM 1247 CE1 PHE A 78 1.840 6.923 4.875 1.00 0.00 C ATOM 1248 CE2 PHE A 78 0.065 5.632 5.731 1.00 0.00 C ATOM 1249 CZ PHE A 78 1.367 6.021 5.776 1.00 0.00 C ATOM 0 H PHE A 78 -1.858 9.133 0.991 1.00 0.00 H new ATOM 0 HA PHE A 78 0.248 7.345 1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.317 8.729 2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.268 7.258 2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.348 8.176 3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.836 5.859 4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.874 7.232 4.911 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.310 4.916 6.447 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.026 5.613 6.528 1.00 0.00 H new ATOM 1259 N ALA A 79 -2.657 5.820 0.902 1.00 0.00 N ATOM 1260 CA ALA A 79 -3.277 4.553 0.554 1.00 0.00 C ATOM 1261 C ALA A 79 -2.541 3.941 -0.640 1.00 0.00 C ATOM 1262 O ALA A 79 -2.289 2.738 -0.669 1.00 0.00 O ATOM 1263 CB ALA A 79 -4.765 4.771 0.273 1.00 0.00 C ATOM 0 H ALA A 79 -3.313 6.578 1.090 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.203 3.849 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.229 3.820 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.247 5.178 1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.880 5.470 -0.555 1.00 0.00 H new ATOM 1269 N GLY A 80 -2.218 4.799 -1.597 1.00 0.00 N ATOM 1270 CA GLY A 80 -1.517 4.359 -2.791 1.00 0.00 C ATOM 1271 C GLY A 80 -0.074 3.969 -2.467 1.00 0.00 C ATOM 1272 O GLY A 80 0.512 3.123 -3.142 1.00 0.00 O ATOM 0 H GLY A 80 -2.429 5.797 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.038 3.508 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.524 5.155 -3.535 1.00 0.00 H new ATOM 1276 N LEU A 81 0.459 4.603 -1.433 1.00 0.00 N ATOM 1277 CA LEU A 81 1.823 4.333 -1.011 1.00 0.00 C ATOM 1278 C LEU A 81 1.914 2.902 -0.478 1.00 0.00 C ATOM 1279 O LEU A 81 2.879 2.192 -0.756 1.00 0.00 O ATOM 1280 CB LEU A 81 2.294 5.392 -0.012 1.00 0.00 C ATOM 1281 CG LEU A 81 3.609 5.094 0.711 1.00 0.00 C ATOM 1282 CD1 LEU A 81 3.428 3.976 1.739 1.00 0.00 C ATOM 1283 CD2 LEU A 81 4.725 4.779 -0.288 1.00 0.00 C ATOM 0 H LEU A 81 -0.029 5.303 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 81 2.505 4.402 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.399 6.340 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.514 5.529 0.737 1.00 0.00 H new ATOM 0 HG LEU A 81 3.909 5.988 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.378 3.784 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.684 4.277 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.093 3.069 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.649 4.571 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.447 3.908 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.875 5.634 -0.947 1.00 0.00 H new ATOM 1295 N LEU A 82 0.894 2.520 0.277 1.00 0.00 N ATOM 1296 CA LEU A 82 0.847 1.186 0.851 1.00 0.00 C ATOM 1297 C LEU A 82 0.873 0.150 -0.274 1.00 0.00 C ATOM 1298 O LEU A 82 1.712 -0.750 -0.275 1.00 0.00 O ATOM 1299 CB LEU A 82 -0.356 1.048 1.786 1.00 0.00 C ATOM 1300 CG LEU A 82 -0.324 1.905 3.053 1.00 0.00 C ATOM 1301 CD1 LEU A 82 0.954 1.649 3.855 1.00 0.00 C ATOM 1302 CD2 LEU A 82 -0.502 3.387 2.717 1.00 0.00 C ATOM 0 H LEU A 82 0.094 3.111 0.504 1.00 0.00 H new ATOM 0 HA LEU A 82 1.726 1.006 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.257 1.297 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.443 0.002 2.081 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.164 1.615 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.952 2.270 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.999 0.598 4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.822 1.896 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.475 3.974 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.303 3.710 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.461 3.535 2.220 1.00 0.00 H new ATOM 1314 N ARG A 83 -0.055 0.311 -1.206 1.00 0.00 N ATOM 1315 CA ARG A 83 -0.149 -0.599 -2.334 1.00 0.00 C ATOM 1316 C ARG A 83 1.095 -0.479 -3.217 1.00 0.00 C ATOM 1317 O ARG A 83 1.364 -1.354 -4.039 1.00 0.00 O ATOM 1318 CB ARG A 83 -1.393 -0.308 -3.175 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.050 0.582 -4.372 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.277 1.366 -4.842 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.719 0.868 -6.164 1.00 0.00 N ATOM 1322 CZ ARG A 83 -2.088 1.131 -7.316 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -0.983 1.889 -7.316 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -2.561 0.637 -8.468 1.00 0.00 N ATOM 0 H ARG A 83 -0.749 1.059 -1.203 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.222 -1.612 -1.938 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.826 -1.245 -3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.147 0.181 -2.558 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.254 1.275 -4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.671 -0.032 -5.189 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.084 1.263 -4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.038 2.428 -4.905 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.557 0.288 -6.200 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.623 2.265 -6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.502 2.090 -8.193 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.402 0.060 -8.468 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.080 0.838 -9.345 1.00 0.00 H new ATOM 1338 N GLU A 84 1.820 0.612 -3.018 1.00 0.00 N ATOM 1339 CA GLU A 84 3.029 0.857 -3.786 1.00 0.00 C ATOM 1340 C GLU A 84 4.156 -0.063 -3.311 1.00 0.00 C ATOM 1341 O GLU A 84 5.100 -0.327 -4.053 1.00 0.00 O ATOM 1342 CB GLU A 84 3.446 2.326 -3.697 1.00 0.00 C ATOM 1343 CG GLU A 84 3.071 3.082 -4.973 1.00 0.00 C ATOM 1344 CD GLU A 84 3.607 2.363 -6.213 1.00 0.00 C ATOM 1345 OE1 GLU A 84 4.672 1.723 -6.082 1.00 0.00 O ATOM 1346 OE2 GLU A 84 2.938 2.470 -7.264 1.00 0.00 O ATOM 0 H GLU A 84 1.594 1.336 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 84 2.822 0.635 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.963 2.793 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.522 2.393 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.987 3.173 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.474 4.094 -4.932 1.00 0.00 H new ATOM 1353 N GLY A 85 4.019 -0.524 -2.077 1.00 0.00 N ATOM 1354 CA GLY A 85 5.014 -1.409 -1.494 1.00 0.00 C ATOM 1355 C GLY A 85 4.360 -2.431 -0.562 1.00 0.00 C ATOM 1356 O GLY A 85 4.882 -2.719 0.513 1.00 0.00 O ATOM 0 H GLY A 85 3.234 -0.302 -1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.554 -1.927 -2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.747 -0.823 -0.940 1.00 0.00 H new ATOM 1360 N LEU A 86 3.226 -2.951 -1.009 1.00 0.00 N ATOM 1361 CA LEU A 86 2.495 -3.935 -0.228 1.00 0.00 C ATOM 1362 C LEU A 86 1.645 -4.794 -1.166 1.00 0.00 C ATOM 1363 O LEU A 86 1.619 -6.017 -1.041 1.00 0.00 O ATOM 1364 CB LEU A 86 1.690 -3.250 0.878 1.00 0.00 C ATOM 1365 CG LEU A 86 2.488 -2.370 1.842 1.00 0.00 C ATOM 1366 CD1 LEU A 86 1.556 -1.567 2.751 1.00 0.00 C ATOM 1367 CD2 LEU A 86 3.492 -3.203 2.642 1.00 0.00 C ATOM 0 H LEU A 86 2.796 -2.710 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 86 3.185 -4.607 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.919 -2.637 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.179 -4.019 1.458 1.00 0.00 H new ATOM 0 HG LEU A 86 3.061 -1.653 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.149 -0.950 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.916 -0.928 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.938 -2.250 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.046 -2.553 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.960 -3.959 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.187 -3.691 1.958 1.00 0.00 H new ATOM 1379 N GLU A 87 0.969 -4.120 -2.085 1.00 0.00 N ATOM 1380 CA GLU A 87 0.120 -4.806 -3.043 1.00 0.00 C ATOM 1381 C GLU A 87 0.906 -5.909 -3.754 1.00 0.00 C ATOM 1382 O GLU A 87 1.867 -5.630 -4.469 1.00 0.00 O ATOM 1383 CB GLU A 87 -0.477 -3.821 -4.051 1.00 0.00 C ATOM 1384 CG GLU A 87 -1.468 -4.523 -4.982 1.00 0.00 C ATOM 1385 CD GLU A 87 -2.633 -3.597 -5.340 1.00 0.00 C ATOM 1386 OE1 GLU A 87 -3.105 -2.897 -4.419 1.00 0.00 O ATOM 1387 OE2 GLU A 87 -3.024 -3.611 -6.527 1.00 0.00 O ATOM 0 H GLU A 87 0.992 -3.105 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.707 -5.267 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.981 -3.013 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.321 -3.368 -4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.957 -4.839 -5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.849 -5.424 -4.501 1.00 0.00 H new ATOM 1394 N GLY A 88 0.467 -7.140 -3.534 1.00 0.00 N ATOM 1395 CA GLY A 88 1.118 -8.287 -4.145 1.00 0.00 C ATOM 1396 C GLY A 88 2.223 -8.836 -3.241 1.00 0.00 C ATOM 1397 O GLY A 88 2.930 -9.770 -3.616 1.00 0.00 O ATOM 0 H GLY A 88 -0.331 -7.368 -2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.382 -9.067 -4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.540 -8.000 -5.108 1.00 0.00 H new ATOM 1401 N GLU A 89 2.338 -8.232 -2.067 1.00 0.00 N ATOM 1402 CA GLU A 89 3.346 -8.649 -1.107 1.00 0.00 C ATOM 1403 C GLU A 89 2.803 -9.772 -0.221 1.00 0.00 C ATOM 1404 O GLU A 89 1.646 -10.168 -0.354 1.00 0.00 O ATOM 1405 CB GLU A 89 3.821 -7.465 -0.262 1.00 0.00 C ATOM 1406 CG GLU A 89 4.458 -6.385 -1.139 1.00 0.00 C ATOM 1407 CD GLU A 89 5.633 -6.952 -1.939 1.00 0.00 C ATOM 1408 OE1 GLU A 89 6.453 -7.661 -1.317 1.00 0.00 O ATOM 1409 OE2 GLU A 89 5.685 -6.662 -3.154 1.00 0.00 O ATOM 0 H GLU A 89 1.750 -7.457 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 89 4.207 -9.030 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.978 -7.043 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.543 -7.809 0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.711 -5.978 -1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.802 -5.561 -0.515 1.00 0.00 H new ATOM 1416 N SER A 90 3.663 -10.252 0.665 1.00 0.00 N ATOM 1417 CA SER A 90 3.284 -11.322 1.572 1.00 0.00 C ATOM 1418 C SER A 90 2.685 -10.734 2.852 1.00 0.00 C ATOM 1419 O SER A 90 2.903 -9.565 3.163 1.00 0.00 O ATOM 1420 CB SER A 90 4.483 -12.211 1.907 1.00 0.00 C ATOM 1421 OG SER A 90 5.693 -11.464 1.996 1.00 0.00 O ATOM 0 H SER A 90 4.621 -9.920 0.774 1.00 0.00 H new ATOM 0 HA SER A 90 2.535 -11.941 1.078 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.302 -12.722 2.853 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.588 -12.981 1.143 1.00 0.00 H new ATOM 0 HG SER A 90 6.434 -12.067 2.213 1.00 0.00 H new ATOM 1427 N PRO A 91 1.923 -11.596 3.578 1.00 0.00 N ATOM 1428 CA PRO A 91 1.291 -11.174 4.817 1.00 0.00 C ATOM 1429 C PRO A 91 2.316 -11.073 5.948 1.00 0.00 C ATOM 1430 O PRO A 91 2.000 -10.592 7.035 1.00 0.00 O ATOM 1431 CB PRO A 91 0.214 -12.213 5.082 1.00 0.00 C ATOM 1432 CG PRO A 91 0.585 -13.423 4.241 1.00 0.00 C ATOM 1433 CD PRO A 91 1.643 -12.988 3.240 1.00 0.00 C ATOM 0 HA PRO A 91 0.856 -10.177 4.750 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.172 -12.471 6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -0.770 -11.834 4.807 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.965 -14.225 4.873 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.292 -13.812 3.724 1.00 0.00 H new ATOM 0 HD2 PRO A 91 2.540 -13.603 3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.282 -13.082 2.216 1.00 0.00 H new ATOM 1441 N GLU A 92 3.522 -11.535 5.654 1.00 0.00 N ATOM 1442 CA GLU A 92 4.596 -11.503 6.633 1.00 0.00 C ATOM 1443 C GLU A 92 5.438 -10.238 6.456 1.00 0.00 C ATOM 1444 O GLU A 92 5.911 -9.661 7.434 1.00 0.00 O ATOM 1445 CB GLU A 92 5.465 -12.758 6.535 1.00 0.00 C ATOM 1446 CG GLU A 92 4.603 -14.022 6.516 1.00 0.00 C ATOM 1447 CD GLU A 92 4.856 -14.878 7.758 1.00 0.00 C ATOM 1448 OE1 GLU A 92 4.288 -14.528 8.815 1.00 0.00 O ATOM 1449 OE2 GLU A 92 5.614 -15.863 7.623 1.00 0.00 O ATOM 0 H GLU A 92 3.780 -11.934 4.751 1.00 0.00 H new ATOM 0 HA GLU A 92 4.153 -11.485 7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.073 -12.714 5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.153 -12.795 7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.549 -13.747 6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.822 -14.602 5.620 1.00 0.00 H new ATOM 1456 N ALA A 93 5.599 -9.843 5.201 1.00 0.00 N ATOM 1457 CA ALA A 93 6.376 -8.657 4.884 1.00 0.00 C ATOM 1458 C ALA A 93 5.552 -7.410 5.213 1.00 0.00 C ATOM 1459 O ALA A 93 6.104 -6.384 5.609 1.00 0.00 O ATOM 1460 CB ALA A 93 6.801 -8.703 3.415 1.00 0.00 C ATOM 0 H ALA A 93 5.205 -10.323 4.392 1.00 0.00 H new ATOM 0 HA ALA A 93 7.284 -8.621 5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.384 -7.813 3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.407 -9.592 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.915 -8.737 2.781 1.00 0.00 H new ATOM 1466 N VAL A 94 4.245 -7.539 5.038 1.00 0.00 N ATOM 1467 CA VAL A 94 3.340 -6.436 5.311 1.00 0.00 C ATOM 1468 C VAL A 94 3.275 -6.198 6.821 1.00 0.00 C ATOM 1469 O VAL A 94 3.299 -5.055 7.275 1.00 0.00 O ATOM 1470 CB VAL A 94 1.970 -6.716 4.690 1.00 0.00 C ATOM 1471 CG1 VAL A 94 0.891 -5.835 5.323 1.00 0.00 C ATOM 1472 CG2 VAL A 94 2.009 -6.532 3.172 1.00 0.00 C ATOM 0 H VAL A 94 3.791 -8.392 4.710 1.00 0.00 H new ATOM 0 HA VAL A 94 3.707 -5.518 4.852 1.00 0.00 H new ATOM 0 HB VAL A 94 1.715 -7.756 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.073 -6.054 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.838 -6.037 6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.139 -4.785 5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.023 -6.737 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.296 -5.507 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.736 -7.221 2.741 1.00 0.00 H new ATOM 1482 N LEU A 95 3.194 -7.296 7.558 1.00 0.00 N ATOM 1483 CA LEU A 95 3.125 -7.222 9.008 1.00 0.00 C ATOM 1484 C LEU A 95 4.401 -6.567 9.541 1.00 0.00 C ATOM 1485 O LEU A 95 4.382 -5.927 10.592 1.00 0.00 O ATOM 1486 CB LEU A 95 2.848 -8.604 9.603 1.00 0.00 C ATOM 1487 CG LEU A 95 1.374 -8.983 9.760 1.00 0.00 C ATOM 1488 CD1 LEU A 95 0.700 -8.130 10.837 1.00 0.00 C ATOM 1489 CD2 LEU A 95 0.640 -8.898 8.420 1.00 0.00 C ATOM 0 H LEU A 95 3.175 -8.242 7.178 1.00 0.00 H new ATOM 0 HA LEU A 95 2.290 -6.594 9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.330 -9.352 8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.323 -8.658 10.583 1.00 0.00 H new ATOM 0 HG LEU A 95 1.322 -10.020 10.091 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.347 -8.420 10.928 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.204 -8.284 11.791 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.762 -7.078 10.560 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.406 -9.172 8.560 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.700 -7.879 8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.102 -9.582 7.708 1.00 0.00 H new ATOM 1501 N GLU A 96 5.479 -6.750 8.794 1.00 0.00 N ATOM 1502 CA GLU A 96 6.762 -6.185 9.179 1.00 0.00 C ATOM 1503 C GLU A 96 6.694 -4.657 9.166 1.00 0.00 C ATOM 1504 O GLU A 96 7.213 -4.001 10.067 1.00 0.00 O ATOM 1505 CB GLU A 96 7.880 -6.692 8.266 1.00 0.00 C ATOM 1506 CG GLU A 96 8.397 -8.053 8.736 1.00 0.00 C ATOM 1507 CD GLU A 96 9.035 -7.948 10.122 1.00 0.00 C ATOM 1508 OE1 GLU A 96 10.166 -7.418 10.188 1.00 0.00 O ATOM 1509 OE2 GLU A 96 8.379 -8.401 11.085 1.00 0.00 O ATOM 0 H GLU A 96 5.491 -7.282 7.924 1.00 0.00 H new ATOM 0 HA GLU A 96 6.991 -6.510 10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.511 -6.773 7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.699 -5.972 8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.575 -8.769 8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.128 -8.434 8.023 1.00 0.00 H new ATOM 1516 N VAL A 97 6.049 -4.134 8.133 1.00 0.00 N ATOM 1517 CA VAL A 97 5.906 -2.695 7.991 1.00 0.00 C ATOM 1518 C VAL A 97 5.319 -2.115 9.279 1.00 0.00 C ATOM 1519 O VAL A 97 4.136 -2.297 9.564 1.00 0.00 O ATOM 1520 CB VAL A 97 5.067 -2.372 6.753 1.00 0.00 C ATOM 1521 CG1 VAL A 97 5.082 -0.871 6.457 1.00 0.00 C ATOM 1522 CG2 VAL A 97 5.545 -3.174 5.542 1.00 0.00 C ATOM 0 H VAL A 97 5.620 -4.681 7.387 1.00 0.00 H new ATOM 0 HA VAL A 97 6.879 -2.228 7.839 1.00 0.00 H new ATOM 0 HB VAL A 97 4.037 -2.662 6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.478 -0.669 5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.672 -0.328 7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.107 -0.545 6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.932 -2.925 4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.586 -2.929 5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.458 -4.240 5.754 1.00 0.00 H new ATOM 1532 N PRO A 98 6.195 -1.410 10.044 1.00 0.00 N ATOM 1533 CA PRO A 98 5.776 -0.802 11.296 1.00 0.00 C ATOM 1534 C PRO A 98 4.935 0.451 11.042 1.00 0.00 C ATOM 1535 O PRO A 98 4.819 0.905 9.905 1.00 0.00 O ATOM 1536 CB PRO A 98 7.066 -0.511 12.044 1.00 0.00 C ATOM 1537 CG PRO A 98 8.169 -0.536 10.998 1.00 0.00 C ATOM 1538 CD PRO A 98 7.603 -1.174 9.739 1.00 0.00 C ATOM 0 HA PRO A 98 5.130 -1.453 11.884 1.00 0.00 H new ATOM 0 HB2 PRO A 98 7.020 0.459 12.540 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.245 -1.257 12.818 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.520 0.475 10.789 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.026 -1.103 11.361 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.717 -0.517 8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.118 -2.105 9.501 1.00 0.00 H new ATOM 1546 N PRO A 99 4.356 0.988 12.149 1.00 0.00 N ATOM 1547 CA PRO A 99 3.530 2.180 12.058 1.00 0.00 C ATOM 1548 C PRO A 99 4.390 3.429 11.860 1.00 0.00 C ATOM 1549 O PRO A 99 3.866 4.536 11.744 1.00 0.00 O ATOM 1550 CB PRO A 99 2.733 2.206 13.352 1.00 0.00 C ATOM 1551 CG PRO A 99 3.474 1.294 14.317 1.00 0.00 C ATOM 1552 CD PRO A 99 4.471 0.477 13.512 1.00 0.00 C ATOM 0 HA PRO A 99 2.863 2.165 11.196 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.664 3.219 13.748 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.713 1.857 13.190 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.988 1.881 15.079 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.775 0.639 14.837 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.484 0.598 13.896 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.239 -0.587 13.557 1.00 0.00 H new ATOM 1560 N GLY A 100 5.697 3.210 11.827 1.00 0.00 N ATOM 1561 CA GLY A 100 6.635 4.305 11.645 1.00 0.00 C ATOM 1562 C GLY A 100 7.604 4.011 10.498 1.00 0.00 C ATOM 1563 O GLY A 100 8.760 4.432 10.534 1.00 0.00 O ATOM 0 H GLY A 100 6.128 2.291 11.923 1.00 0.00 H new ATOM 0 HA2 GLY A 100 6.089 5.226 11.438 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.195 4.466 12.566 1.00 0.00 H new ATOM 1567 N PHE A 101 7.099 3.290 9.508 1.00 0.00 N ATOM 1568 CA PHE A 101 7.906 2.935 8.353 1.00 0.00 C ATOM 1569 C PHE A 101 8.078 4.132 7.416 1.00 0.00 C ATOM 1570 O PHE A 101 8.932 4.113 6.530 1.00 0.00 O ATOM 1571 CB PHE A 101 7.160 1.824 7.611 1.00 0.00 C ATOM 1572 CG PHE A 101 6.030 2.327 6.711 1.00 0.00 C ATOM 1573 CD1 PHE A 101 4.793 2.548 7.231 1.00 0.00 C ATOM 1574 CD2 PHE A 101 6.262 2.554 5.390 1.00 0.00 C ATOM 1575 CE1 PHE A 101 3.744 3.015 6.396 1.00 0.00 C ATOM 1576 CE2 PHE A 101 5.213 3.021 4.555 1.00 0.00 C ATOM 1577 CZ PHE A 101 3.976 3.242 5.075 1.00 0.00 C ATOM 0 H PHE A 101 6.141 2.942 9.482 1.00 0.00 H new ATOM 0 HA PHE A 101 8.897 2.615 8.675 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.872 1.265 7.004 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.747 1.128 8.341 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.608 2.368 8.280 1.00 0.00 H new ATOM 0 HD2 PHE A 101 7.244 2.379 4.976 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.762 3.190 6.810 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.398 3.201 3.506 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.178 3.598 4.440 1.00 0.00 H new ATOM 1587 N TYR A 102 7.255 5.144 7.643 1.00 0.00 N ATOM 1588 CA TYR A 102 7.305 6.347 6.830 1.00 0.00 C ATOM 1589 C TYR A 102 8.278 7.369 7.422 1.00 0.00 C ATOM 1590 O TYR A 102 8.898 8.138 6.690 1.00 0.00 O ATOM 1591 CB TYR A 102 5.892 6.933 6.854 1.00 0.00 C ATOM 1592 CG TYR A 102 5.477 7.501 8.212 1.00 0.00 C ATOM 1593 CD1 TYR A 102 5.800 8.801 8.544 1.00 0.00 C ATOM 1594 CD2 TYR A 102 4.779 6.714 9.106 1.00 0.00 C ATOM 1595 CE1 TYR A 102 5.410 9.336 9.822 1.00 0.00 C ATOM 1596 CE2 TYR A 102 4.389 7.249 10.384 1.00 0.00 C ATOM 1597 CZ TYR A 102 4.723 8.534 10.680 1.00 0.00 C ATOM 1598 OH TYR A 102 4.355 9.040 11.887 1.00 0.00 O ATOM 0 H TYR A 102 6.549 5.156 8.379 1.00 0.00 H new ATOM 0 HA TYR A 102 7.643 6.113 5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.824 7.722 6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.183 6.157 6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.346 9.417 7.845 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.526 5.697 8.846 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.657 10.352 10.094 1.00 0.00 H new ATOM 0 HE2 TYR A 102 3.843 6.644 11.092 1.00 0.00 H new ATOM 0 HH TYR A 102 3.871 8.356 12.395 1.00 0.00 H new ATOM 1608 N ARG A 103 8.380 7.344 8.743 1.00 0.00 N ATOM 1609 CA ARG A 103 9.267 8.258 9.442 1.00 0.00 C ATOM 1610 C ARG A 103 10.626 8.319 8.743 1.00 0.00 C ATOM 1611 O ARG A 103 11.221 7.285 8.444 1.00 0.00 O ATOM 1612 CB ARG A 103 9.468 7.827 10.896 1.00 0.00 C ATOM 1613 CG ARG A 103 8.310 8.305 11.775 1.00 0.00 C ATOM 1614 CD ARG A 103 8.776 8.548 13.212 1.00 0.00 C ATOM 1615 NE ARG A 103 9.144 9.971 13.390 1.00 0.00 N ATOM 1616 CZ ARG A 103 9.579 10.495 14.544 1.00 0.00 C ATOM 1617 NH1 ARG A 103 9.704 9.718 15.628 1.00 0.00 N ATOM 1618 NH2 ARG A 103 9.890 11.797 14.613 1.00 0.00 N ATOM 0 H ARG A 103 7.863 6.705 9.347 1.00 0.00 H new ATOM 0 HA ARG A 103 8.803 9.244 9.428 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.546 6.741 10.950 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.407 8.233 11.273 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.892 9.224 11.364 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.513 7.562 11.768 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.984 8.278 13.911 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.631 7.911 13.439 1.00 0.00 H new ATOM 0 HE ARG A 103 9.061 10.591 12.584 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.468 8.727 15.575 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.035 10.117 16.506 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.795 12.388 13.787 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.221 12.196 15.491 1.00 0.00 H new ATOM 1632 N GLY A 104 11.079 9.541 8.503 1.00 0.00 N ATOM 1633 CA GLY A 104 12.357 9.750 7.844 1.00 0.00 C ATOM 1634 C GLY A 104 12.287 9.346 6.370 1.00 0.00 C ATOM 1635 O GLY A 104 12.764 8.277 5.993 1.00 0.00 O ATOM 0 H GLY A 104 10.583 10.397 8.753 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.644 10.798 7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 104 13.129 9.169 8.348 1.00 0.00 H new ATOM 1639 N TYR A 105 11.688 10.222 5.577 1.00 0.00 N ATOM 1640 CA TYR A 105 11.549 9.970 4.153 1.00 0.00 C ATOM 1641 C TYR A 105 10.942 11.179 3.439 1.00 0.00 C ATOM 1642 O TYR A 105 11.444 11.608 2.401 1.00 0.00 O ATOM 1643 CB TYR A 105 10.592 8.783 4.026 1.00 0.00 C ATOM 1644 CG TYR A 105 11.285 7.420 4.045 1.00 0.00 C ATOM 1645 CD1 TYR A 105 12.377 7.189 3.232 1.00 0.00 C ATOM 1646 CD2 TYR A 105 10.819 6.420 4.874 1.00 0.00 C ATOM 1647 CE1 TYR A 105 13.029 5.906 3.250 1.00 0.00 C ATOM 1648 CE2 TYR A 105 11.471 5.136 4.891 1.00 0.00 C ATOM 1649 CZ TYR A 105 12.544 4.943 4.078 1.00 0.00 C ATOM 1650 OH TYR A 105 13.161 3.730 4.095 1.00 0.00 O ATOM 0 H TYR A 105 11.293 11.108 5.894 1.00 0.00 H new ATOM 0 HA TYR A 105 12.521 9.773 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.870 8.823 4.841 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.030 8.880 3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 105 12.742 7.971 2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 105 9.965 6.600 5.510 1.00 0.00 H new ATOM 0 HE1 TYR A 105 13.884 5.713 2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 105 11.116 4.345 5.535 1.00 0.00 H new ATOM 0 HH TYR A 105 12.708 3.141 4.734 1.00 0.00 H new ATOM 1660 N GLY A 106 9.870 11.694 4.023 1.00 0.00 N ATOM 1661 CA GLY A 106 9.189 12.845 3.456 1.00 0.00 C ATOM 1662 C GLY A 106 7.724 12.887 3.896 1.00 0.00 C ATOM 1663 O GLY A 106 7.190 13.957 4.185 1.00 0.00 O ATOM 0 H GLY A 106 9.456 11.335 4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.692 13.760 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.245 12.806 2.368 1.00 0.00 H new ATOM 1667 N LEU A 107 7.116 11.710 3.933 1.00 0.00 N ATOM 1668 CA LEU A 107 5.724 11.599 4.333 1.00 0.00 C ATOM 1669 C LEU A 107 5.511 12.362 5.642 1.00 0.00 C ATOM 1670 O LEU A 107 4.464 12.974 5.845 1.00 0.00 O ATOM 1671 CB LEU A 107 5.302 10.130 4.401 1.00 0.00 C ATOM 1672 CG LEU A 107 5.601 9.288 3.159 1.00 0.00 C ATOM 1673 CD1 LEU A 107 6.159 7.917 3.548 1.00 0.00 C ATOM 1674 CD2 LEU A 107 4.365 9.171 2.265 1.00 0.00 C ATOM 0 H LEU A 107 7.562 10.825 3.692 1.00 0.00 H new ATOM 0 HA LEU A 107 5.075 12.059 3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.797 9.669 5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.230 10.089 4.594 1.00 0.00 H new ATOM 0 HG LEU A 107 6.371 9.797 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.363 7.338 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.082 8.047 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.430 7.388 4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.605 8.568 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.557 8.697 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.051 10.165 1.946 1.00 0.00 H new ATOM 1686 N GLU A 108 6.522 12.300 6.496 1.00 0.00 N ATOM 1687 CA GLU A 108 6.459 12.977 7.780 1.00 0.00 C ATOM 1688 C GLU A 108 6.085 14.448 7.587 1.00 0.00 C ATOM 1689 O GLU A 108 5.054 14.901 8.083 1.00 0.00 O ATOM 1690 CB GLU A 108 7.782 12.843 8.536 1.00 0.00 C ATOM 1691 CG GLU A 108 7.609 13.204 10.013 1.00 0.00 C ATOM 1692 CD GLU A 108 8.462 14.420 10.384 1.00 0.00 C ATOM 1693 OE1 GLU A 108 9.689 14.342 10.159 1.00 0.00 O ATOM 1694 OE2 GLU A 108 7.867 15.399 10.884 1.00 0.00 O ATOM 0 H GLU A 108 7.389 11.791 6.324 1.00 0.00 H new ATOM 0 HA GLU A 108 5.685 12.501 8.382 1.00 0.00 H new ATOM 0 HB2 GLU A 108 8.153 11.822 8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.531 13.494 8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.560 13.415 10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.891 12.354 10.634 1.00 0.00 H new ATOM 1701 N GLU A 109 6.942 15.154 6.864 1.00 0.00 N ATOM 1702 CA GLU A 109 6.715 16.564 6.599 1.00 0.00 C ATOM 1703 C GLU A 109 5.417 16.753 5.810 1.00 0.00 C ATOM 1704 O GLU A 109 4.499 17.429 6.272 1.00 0.00 O ATOM 1705 CB GLU A 109 7.902 17.181 5.858 1.00 0.00 C ATOM 1706 CG GLU A 109 8.961 17.685 6.841 1.00 0.00 C ATOM 1707 CD GLU A 109 9.758 18.845 6.242 1.00 0.00 C ATOM 1708 OE1 GLU A 109 9.171 19.944 6.138 1.00 0.00 O ATOM 1709 OE2 GLU A 109 10.937 18.607 5.901 1.00 0.00 O ATOM 0 H GLU A 109 7.795 14.775 6.453 1.00 0.00 H new ATOM 0 HA GLU A 109 6.616 17.082 7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 109 8.343 16.441 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 109 7.557 18.006 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 109 8.480 18.008 7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 109 9.637 16.871 7.101 1.00 0.00 H new ATOM 1716 N PHE A 110 5.383 16.145 4.634 1.00 0.00 N ATOM 1717 CA PHE A 110 4.214 16.238 3.776 1.00 0.00 C ATOM 1718 C PHE A 110 2.925 16.143 4.595 1.00 0.00 C ATOM 1719 O PHE A 110 2.220 17.137 4.766 1.00 0.00 O ATOM 1720 CB PHE A 110 4.276 15.056 2.807 1.00 0.00 C ATOM 1721 CG PHE A 110 4.931 15.386 1.464 1.00 0.00 C ATOM 1722 CD1 PHE A 110 4.384 16.334 0.655 1.00 0.00 C ATOM 1723 CD2 PHE A 110 6.059 14.732 1.079 1.00 0.00 C ATOM 1724 CE1 PHE A 110 4.992 16.640 -0.591 1.00 0.00 C ATOM 1725 CE2 PHE A 110 6.667 15.039 -0.167 1.00 0.00 C ATOM 1726 CZ PHE A 110 6.121 15.986 -0.976 1.00 0.00 C ATOM 0 H PHE A 110 6.147 15.585 4.255 1.00 0.00 H new ATOM 0 HA PHE A 110 4.211 17.194 3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.827 14.242 3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.264 14.694 2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.488 16.853 0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 110 6.493 13.979 1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.558 17.392 -1.233 1.00 0.00 H new ATOM 0 HE2 PHE A 110 7.564 14.520 -0.472 1.00 0.00 H new ATOM 0 HZ PHE A 110 6.584 16.219 -1.924 1.00 0.00 H new ATOM 1736 N PHE A 111 2.657 14.940 5.081 1.00 0.00 N ATOM 1737 CA PHE A 111 1.465 14.703 5.877 1.00 0.00 C ATOM 1738 C PHE A 111 1.676 15.148 7.326 1.00 0.00 C ATOM 1739 O PHE A 111 2.574 14.654 8.006 1.00 0.00 O ATOM 1740 CB PHE A 111 1.202 13.196 5.853 1.00 0.00 C ATOM 1741 CG PHE A 111 1.067 12.611 4.446 1.00 0.00 C ATOM 1742 CD1 PHE A 111 -0.131 12.654 3.804 1.00 0.00 C ATOM 1743 CD2 PHE A 111 2.145 12.048 3.837 1.00 0.00 C ATOM 1744 CE1 PHE A 111 -0.257 12.111 2.498 1.00 0.00 C ATOM 1745 CE2 PHE A 111 2.019 11.505 2.531 1.00 0.00 C ATOM 1746 CZ PHE A 111 0.821 11.548 1.889 1.00 0.00 C ATOM 0 H PHE A 111 3.245 14.119 4.939 1.00 0.00 H new ATOM 0 HA PHE A 111 0.627 15.269 5.469 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.015 12.687 6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 111 0.289 12.988 6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.987 13.101 4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.097 12.014 4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.209 12.145 1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.875 11.058 2.047 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.726 11.135 0.896 1.00 0.00 H new ATOM 1756 N THR A 112 0.835 16.078 7.754 1.00 0.00 N ATOM 1757 CA THR A 112 0.918 16.595 9.110 1.00 0.00 C ATOM 1758 C THR A 112 0.945 15.446 10.119 1.00 0.00 C ATOM 1759 O THR A 112 0.607 14.312 9.783 1.00 0.00 O ATOM 1760 CB THR A 112 -0.250 17.561 9.320 1.00 0.00 C ATOM 1761 OG1 THR A 112 -1.330 16.958 8.612 1.00 0.00 O ATOM 1762 CG2 THR A 112 -0.039 18.899 8.609 1.00 0.00 C ATOM 0 H THR A 112 0.093 16.487 7.186 1.00 0.00 H new ATOM 0 HA THR A 112 1.846 17.145 9.267 1.00 0.00 H new ATOM 0 HB THR A 112 -0.389 17.736 10.387 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.130 17.518 8.697 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.897 19.547 8.791 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.863 19.376 8.992 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.067 18.729 7.538 1.00 0.00 H new ATOM 1770 N PRO A 113 1.362 15.787 11.368 1.00 0.00 N ATOM 1771 CA PRO A 113 1.438 14.796 12.428 1.00 0.00 C ATOM 1772 C PRO A 113 0.043 14.446 12.951 1.00 0.00 C ATOM 1773 O PRO A 113 -0.105 13.548 13.780 1.00 0.00 O ATOM 1774 CB PRO A 113 2.330 15.422 13.488 1.00 0.00 C ATOM 1775 CG PRO A 113 2.342 16.913 13.195 1.00 0.00 C ATOM 1776 CD PRO A 113 1.771 17.119 11.802 1.00 0.00 C ATOM 0 HA PRO A 113 1.852 13.847 12.088 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.946 15.224 14.489 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.337 15.007 13.445 1.00 0.00 H new ATOM 0 HG2 PRO A 113 1.749 17.452 13.934 1.00 0.00 H new ATOM 0 HG3 PRO A 113 3.357 17.305 13.253 1.00 0.00 H new ATOM 0 HD2 PRO A 113 0.926 17.807 11.818 1.00 0.00 H new ATOM 0 HD3 PRO A 113 2.515 17.544 11.128 1.00 0.00 H new ATOM 1784 N LEU A 114 -0.943 15.172 12.447 1.00 0.00 N ATOM 1785 CA LEU A 114 -2.320 14.949 12.853 1.00 0.00 C ATOM 1786 C LEU A 114 -2.956 13.903 11.935 1.00 0.00 C ATOM 1787 O LEU A 114 -3.526 12.921 12.408 1.00 0.00 O ATOM 1788 CB LEU A 114 -3.086 16.273 12.899 1.00 0.00 C ATOM 1789 CG LEU A 114 -4.466 16.227 13.560 1.00 0.00 C ATOM 1790 CD1 LEU A 114 -4.556 15.074 14.561 1.00 0.00 C ATOM 1791 CD2 LEU A 114 -4.811 17.572 14.202 1.00 0.00 C ATOM 0 H LEU A 114 -0.816 15.916 11.761 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.358 14.549 13.866 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.476 17.005 13.428 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.206 16.636 11.878 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.210 16.040 12.786 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.546 15.064 15.016 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.384 14.130 14.045 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.801 15.206 15.337 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.796 17.512 14.664 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.068 17.814 14.962 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.815 18.349 13.438 1.00 0.00 H new ATOM 1803 N ARG A 115 -2.836 14.149 10.639 1.00 0.00 N ATOM 1804 CA ARG A 115 -3.391 13.241 9.650 1.00 0.00 C ATOM 1805 C ARG A 115 -2.589 11.938 9.617 1.00 0.00 C ATOM 1806 O ARG A 115 -3.145 10.869 9.365 1.00 0.00 O ATOM 1807 CB ARG A 115 -3.384 13.872 8.256 1.00 0.00 C ATOM 1808 CG ARG A 115 -4.441 14.972 8.147 1.00 0.00 C ATOM 1809 CD ARG A 115 -5.308 14.777 6.901 1.00 0.00 C ATOM 1810 NE ARG A 115 -5.513 16.074 6.219 1.00 0.00 N ATOM 1811 CZ ARG A 115 -4.520 16.839 5.745 1.00 0.00 C ATOM 1812 NH1 ARG A 115 -3.247 16.441 5.876 1.00 0.00 N ATOM 1813 NH2 ARG A 115 -4.800 18.001 5.140 1.00 0.00 N ATOM 0 H ARG A 115 -2.362 14.965 10.251 1.00 0.00 H new ATOM 0 HA ARG A 115 -4.422 13.031 9.935 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -2.398 14.288 8.046 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -3.573 13.105 7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.070 14.966 9.037 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.954 15.946 8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -4.830 14.071 6.222 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.270 14.348 7.181 1.00 0.00 H new ATOM 0 HE ARG A 115 -6.470 16.407 6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -3.034 15.556 6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.491 17.023 5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -5.769 18.303 5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.044 18.583 4.779 1.00 0.00 H new ATOM 1827 N LEU A 116 -1.296 12.069 9.875 1.00 0.00 N ATOM 1828 CA LEU A 116 -0.413 10.916 9.878 1.00 0.00 C ATOM 1829 C LEU A 116 -0.996 9.834 10.789 1.00 0.00 C ATOM 1830 O LEU A 116 -1.081 8.670 10.401 1.00 0.00 O ATOM 1831 CB LEU A 116 1.011 11.332 10.251 1.00 0.00 C ATOM 1832 CG LEU A 116 1.907 11.774 9.092 1.00 0.00 C ATOM 1833 CD1 LEU A 116 3.259 12.275 9.604 1.00 0.00 C ATOM 1834 CD2 LEU A 116 2.063 10.653 8.062 1.00 0.00 C ATOM 0 H LEU A 116 -0.839 12.957 10.083 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.344 10.488 8.878 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.953 12.149 10.971 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.492 10.495 10.757 1.00 0.00 H new ATOM 0 HG LEU A 116 1.425 12.611 8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.876 12.583 8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.104 13.124 10.269 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.761 11.475 10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.704 10.993 7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.512 9.781 8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.084 10.385 7.664 1.00 0.00 H new ATOM 1846 N ARG A 117 -1.384 10.257 11.983 1.00 0.00 N ATOM 1847 CA ARG A 117 -1.957 9.339 12.953 1.00 0.00 C ATOM 1848 C ARG A 117 -2.890 8.347 12.257 1.00 0.00 C ATOM 1849 O ARG A 117 -2.689 7.136 12.341 1.00 0.00 O ATOM 1850 CB ARG A 117 -2.738 10.094 14.031 1.00 0.00 C ATOM 1851 CG ARG A 117 -1.802 10.943 14.893 1.00 0.00 C ATOM 1852 CD ARG A 117 -2.304 11.019 16.336 1.00 0.00 C ATOM 1853 NE ARG A 117 -1.325 11.745 17.175 1.00 0.00 N ATOM 1854 CZ ARG A 117 -1.539 12.089 18.452 1.00 0.00 C ATOM 1855 NH1 ARG A 117 -2.699 11.776 19.045 1.00 0.00 N ATOM 1856 NH2 ARG A 117 -0.593 12.747 19.137 1.00 0.00 N ATOM 0 H ARG A 117 -1.313 11.224 12.301 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.136 8.800 13.426 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -3.486 10.733 13.562 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -3.274 9.384 14.661 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -0.799 10.517 14.875 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -1.729 11.948 14.476 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -3.269 11.525 16.368 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.458 10.014 16.729 1.00 0.00 H new ATOM 0 HE ARG A 117 -0.431 12.000 16.755 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -3.419 11.276 18.524 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -2.862 12.038 20.017 1.00 0.00 H new ATOM 0 HH21 ARG A 117 0.290 12.986 18.686 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -0.756 13.009 20.109 1.00 0.00 H new ATOM 1870 N GLY A 118 -3.891 8.896 11.585 1.00 0.00 N ATOM 1871 CA GLY A 118 -4.856 8.074 10.875 1.00 0.00 C ATOM 1872 C GLY A 118 -4.163 7.189 9.836 1.00 0.00 C ATOM 1873 O GLY A 118 -4.415 5.987 9.772 1.00 0.00 O ATOM 0 H GLY A 118 -4.055 9.900 11.517 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.400 7.450 11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.590 8.712 10.383 1.00 0.00 H new ATOM 1877 N LEU A 119 -3.304 7.819 9.048 1.00 0.00 N ATOM 1878 CA LEU A 119 -2.574 7.105 8.015 1.00 0.00 C ATOM 1879 C LEU A 119 -1.991 5.819 8.605 1.00 0.00 C ATOM 1880 O LEU A 119 -2.128 4.746 8.020 1.00 0.00 O ATOM 1881 CB LEU A 119 -1.527 8.016 7.372 1.00 0.00 C ATOM 1882 CG LEU A 119 -1.987 8.805 6.144 1.00 0.00 C ATOM 1883 CD1 LEU A 119 -3.452 9.224 6.279 1.00 0.00 C ATOM 1884 CD2 LEU A 119 -1.070 10.002 5.886 1.00 0.00 C ATOM 0 H LEU A 119 -3.097 8.816 9.104 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.245 6.811 7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.179 8.724 8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -0.670 7.406 7.087 1.00 0.00 H new ATOM 0 HG LEU A 119 -1.917 8.153 5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -3.754 9.783 5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -4.077 8.336 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -3.571 9.852 7.162 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.419 10.545 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.084 10.664 6.752 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -0.053 9.651 5.714 1.00 0.00 H new ATOM 1896 N GLU A 120 -1.353 5.971 9.756 1.00 0.00 N ATOM 1897 CA GLU A 120 -0.749 4.835 10.432 1.00 0.00 C ATOM 1898 C GLU A 120 -1.812 3.785 10.759 1.00 0.00 C ATOM 1899 O GLU A 120 -1.609 2.595 10.519 1.00 0.00 O ATOM 1900 CB GLU A 120 -0.010 5.279 11.696 1.00 0.00 C ATOM 1901 CG GLU A 120 1.065 6.317 11.367 1.00 0.00 C ATOM 1902 CD GLU A 120 1.788 5.964 10.065 1.00 0.00 C ATOM 1903 OE1 GLU A 120 2.196 4.788 9.943 1.00 0.00 O ATOM 1904 OE2 GLU A 120 1.916 6.877 9.221 1.00 0.00 O ATOM 0 H GLU A 120 -1.241 6.863 10.238 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.017 4.385 9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.720 5.699 12.408 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.449 4.415 12.176 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.609 7.303 11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 120 1.785 6.372 12.184 1.00 0.00 H new ATOM 1911 N ALA A 121 -2.923 4.262 11.301 1.00 0.00 N ATOM 1912 CA ALA A 121 -4.018 3.379 11.663 1.00 0.00 C ATOM 1913 C ALA A 121 -4.202 2.325 10.569 1.00 0.00 C ATOM 1914 O ALA A 121 -4.266 1.131 10.857 1.00 0.00 O ATOM 1915 CB ALA A 121 -5.285 4.205 11.895 1.00 0.00 C ATOM 0 H ALA A 121 -3.088 5.249 11.498 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.796 2.854 12.592 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.107 3.542 12.167 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.112 4.918 12.701 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.540 4.744 10.983 1.00 0.00 H new ATOM 1921 N ALA A 122 -4.280 2.805 9.337 1.00 0.00 N ATOM 1922 CA ALA A 122 -4.454 1.920 8.199 1.00 0.00 C ATOM 1923 C ALA A 122 -3.568 0.685 8.378 1.00 0.00 C ATOM 1924 O ALA A 122 -4.066 -0.408 8.641 1.00 0.00 O ATOM 1925 CB ALA A 122 -4.142 2.679 6.908 1.00 0.00 C ATOM 0 H ALA A 122 -4.226 3.796 9.102 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.487 1.578 8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.273 2.014 6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.818 3.529 6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.112 3.036 6.935 1.00 0.00 H new ATOM 1931 N LEU A 123 -2.270 0.902 8.228 1.00 0.00 N ATOM 1932 CA LEU A 123 -1.309 -0.179 8.370 1.00 0.00 C ATOM 1933 C LEU A 123 -1.714 -1.063 9.552 1.00 0.00 C ATOM 1934 O LEU A 123 -1.791 -2.284 9.420 1.00 0.00 O ATOM 1935 CB LEU A 123 0.112 0.377 8.477 1.00 0.00 C ATOM 1936 CG LEU A 123 1.218 -0.652 8.720 1.00 0.00 C ATOM 1937 CD1 LEU A 123 1.344 -1.611 7.535 1.00 0.00 C ATOM 1938 CD2 LEU A 123 2.546 0.037 9.043 1.00 0.00 C ATOM 0 H LEU A 123 -1.861 1.810 8.010 1.00 0.00 H new ATOM 0 HA LEU A 123 -1.313 -0.811 7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.340 0.916 7.558 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.136 1.105 9.288 1.00 0.00 H new ATOM 0 HG LEU A 123 0.944 -1.249 9.590 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.137 -2.332 7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 123 0.401 -2.139 7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.584 -1.046 6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 123 3.315 -0.717 9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 123 2.838 0.674 8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.431 0.645 9.940 1.00 0.00 H new ATOM 1950 N LEU A 124 -1.962 -0.413 10.679 1.00 0.00 N ATOM 1951 CA LEU A 124 -2.357 -1.124 11.882 1.00 0.00 C ATOM 1952 C LEU A 124 -3.557 -2.021 11.569 1.00 0.00 C ATOM 1953 O LEU A 124 -3.597 -3.178 11.984 1.00 0.00 O ATOM 1954 CB LEU A 124 -2.607 -0.142 13.028 1.00 0.00 C ATOM 1955 CG LEU A 124 -1.437 0.775 13.392 1.00 0.00 C ATOM 1956 CD1 LEU A 124 -1.938 2.102 13.965 1.00 0.00 C ATOM 1957 CD2 LEU A 124 -0.464 0.072 14.342 1.00 0.00 C ATOM 0 H LEU A 124 -1.897 0.599 10.784 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.551 -1.775 12.221 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -3.463 0.480 12.767 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.886 -0.712 13.914 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.887 1.005 12.479 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.087 2.735 14.215 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.560 2.606 13.225 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.525 1.912 14.863 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.358 0.745 14.585 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.987 -0.207 15.257 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.070 -0.823 13.862 1.00 0.00 H new ATOM 1969 N ARG A 125 -4.505 -1.452 10.839 1.00 0.00 N ATOM 1970 CA ARG A 125 -5.703 -2.185 10.465 1.00 0.00 C ATOM 1971 C ARG A 125 -5.334 -3.415 9.633 1.00 0.00 C ATOM 1972 O ARG A 125 -5.466 -4.546 10.099 1.00 0.00 O ATOM 1973 CB ARG A 125 -6.661 -1.303 9.662 1.00 0.00 C ATOM 1974 CG ARG A 125 -7.096 -0.084 10.476 1.00 0.00 C ATOM 1975 CD ARG A 125 -8.290 -0.421 11.373 1.00 0.00 C ATOM 1976 NE ARG A 125 -7.817 -0.798 12.723 1.00 0.00 N ATOM 1977 CZ ARG A 125 -7.237 0.052 13.581 1.00 0.00 C ATOM 1978 NH1 ARG A 125 -7.053 1.333 13.234 1.00 0.00 N ATOM 1979 NH2 ARG A 125 -6.840 -0.379 14.786 1.00 0.00 N ATOM 0 H ARG A 125 -4.468 -0.492 10.496 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.200 -2.498 11.383 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.176 -0.976 8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -7.537 -1.882 9.372 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -6.264 0.265 11.088 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -7.361 0.732 9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -8.959 0.437 11.439 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -8.863 -1.240 10.938 1.00 0.00 H new ATOM 0 HE ARG A 125 -7.940 -1.766 13.019 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -7.355 1.661 12.317 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -6.611 1.980 13.887 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -6.979 -1.354 15.050 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.398 0.268 15.439 1.00 0.00 H new ATOM 1993 N LEU A 126 -4.879 -3.153 8.417 1.00 0.00 N ATOM 1994 CA LEU A 126 -4.490 -4.224 7.516 1.00 0.00 C ATOM 1995 C LEU A 126 -3.763 -5.313 8.309 1.00 0.00 C ATOM 1996 O LEU A 126 -4.246 -6.439 8.410 1.00 0.00 O ATOM 1997 CB LEU A 126 -3.677 -3.671 6.344 1.00 0.00 C ATOM 1998 CG LEU A 126 -4.314 -2.511 5.575 1.00 0.00 C ATOM 1999 CD1 LEU A 126 -5.837 -2.652 5.533 1.00 0.00 C ATOM 2000 CD2 LEU A 126 -3.878 -1.164 6.154 1.00 0.00 C ATOM 0 H LEU A 126 -4.771 -2.214 8.034 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.371 -4.686 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.709 -3.342 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -3.486 -4.484 5.644 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.959 -2.548 4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.265 -1.815 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.102 -3.586 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.230 -2.655 6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.345 -0.357 5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.184 -1.101 7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.794 -1.073 6.088 1.00 0.00 H new ATOM 2012 N GLN A 127 -2.613 -4.938 8.850 1.00 0.00 N ATOM 2013 CA GLN A 127 -1.815 -5.868 9.630 1.00 0.00 C ATOM 2014 C GLN A 127 -2.715 -6.705 10.541 1.00 0.00 C ATOM 2015 O GLN A 127 -2.530 -7.915 10.660 1.00 0.00 O ATOM 2016 CB GLN A 127 -0.749 -5.129 10.442 1.00 0.00 C ATOM 2017 CG GLN A 127 0.347 -4.574 9.530 1.00 0.00 C ATOM 2018 CD GLN A 127 1.623 -4.281 10.322 1.00 0.00 C ATOM 2019 OE1 GLN A 127 1.597 -4.006 11.510 1.00 0.00 O ATOM 2020 NE2 GLN A 127 2.737 -4.355 9.600 1.00 0.00 N ATOM 0 H GLN A 127 -2.215 -4.003 8.763 1.00 0.00 H new ATOM 0 HA GLN A 127 -1.301 -6.540 8.943 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.211 -4.314 10.999 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.310 -5.807 11.174 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.563 -5.291 8.738 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.004 -3.662 9.048 1.00 0.00 H new ATOM 0 HE21 GLN A 127 2.688 -4.590 8.609 1.00 0.00 H new ATOM 0 HE22 GLN A 127 3.641 -4.176 10.037 1.00 0.00 H new ATOM 2029 N ALA A 128 -3.670 -6.028 11.161 1.00 0.00 N ATOM 2030 CA ALA A 128 -4.599 -6.694 12.058 1.00 0.00 C ATOM 2031 C ALA A 128 -5.386 -7.749 11.278 1.00 0.00 C ATOM 2032 O ALA A 128 -5.580 -8.865 11.759 1.00 0.00 O ATOM 2033 CB ALA A 128 -5.510 -5.654 12.714 1.00 0.00 C ATOM 0 H ALA A 128 -3.821 -5.024 11.060 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.062 -7.206 12.856 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -6.207 -6.154 13.387 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.905 -4.945 13.279 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -6.068 -5.122 11.944 1.00 0.00 H new ATOM 2039 N GLN A 129 -5.817 -7.360 10.087 1.00 0.00 N ATOM 2040 CA GLN A 129 -6.578 -8.259 9.236 1.00 0.00 C ATOM 2041 C GLN A 129 -5.656 -9.311 8.617 1.00 0.00 C ATOM 2042 O GLN A 129 -5.839 -10.508 8.836 1.00 0.00 O ATOM 2043 CB GLN A 129 -7.330 -7.483 8.153 1.00 0.00 C ATOM 2044 CG GLN A 129 -8.215 -6.398 8.770 1.00 0.00 C ATOM 2045 CD GLN A 129 -9.577 -6.341 8.073 1.00 0.00 C ATOM 2046 OE1 GLN A 129 -10.364 -7.272 8.115 1.00 0.00 O ATOM 2047 NE2 GLN A 129 -9.808 -5.199 7.432 1.00 0.00 N ATOM 0 H GLN A 129 -5.654 -6.434 9.691 1.00 0.00 H new ATOM 0 HA GLN A 129 -7.319 -8.770 9.851 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.617 -7.028 7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.943 -8.169 7.569 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -8.354 -6.597 9.833 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -7.720 -5.430 8.689 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.105 -4.460 7.437 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.688 -5.062 6.935 1.00 0.00 H new ATOM 2056 N VAL A 130 -4.685 -8.827 7.857 1.00 0.00 N ATOM 2057 CA VAL A 130 -3.734 -9.712 7.205 1.00 0.00 C ATOM 2058 C VAL A 130 -3.387 -10.865 8.148 1.00 0.00 C ATOM 2059 O VAL A 130 -3.430 -12.029 7.754 1.00 0.00 O ATOM 2060 CB VAL A 130 -2.506 -8.918 6.753 1.00 0.00 C ATOM 2061 CG1 VAL A 130 -1.499 -9.825 6.043 1.00 0.00 C ATOM 2062 CG2 VAL A 130 -2.911 -7.743 5.860 1.00 0.00 C ATOM 0 H VAL A 130 -4.536 -7.834 7.678 1.00 0.00 H new ATOM 0 HA VAL A 130 -4.171 -10.148 6.307 1.00 0.00 H new ATOM 0 HB VAL A 130 -2.023 -8.512 7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.636 -9.237 5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -1.175 -10.612 6.724 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -1.968 -10.273 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -2.020 -7.195 5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -3.429 -8.118 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -3.573 -7.077 6.413 1.00 0.00 H new ATOM 2072 N ARG A 131 -3.050 -10.501 9.377 1.00 0.00 N ATOM 2073 CA ARG A 131 -2.695 -11.491 10.380 1.00 0.00 C ATOM 2074 C ARG A 131 -3.705 -12.641 10.371 1.00 0.00 C ATOM 2075 O ARG A 131 -3.342 -13.787 10.112 1.00 0.00 O ATOM 2076 CB ARG A 131 -2.654 -10.869 11.777 1.00 0.00 C ATOM 2077 CG ARG A 131 -1.215 -10.559 12.197 1.00 0.00 C ATOM 2078 CD ARG A 131 -1.180 -9.855 13.554 1.00 0.00 C ATOM 2079 NE ARG A 131 -0.969 -10.846 14.633 1.00 0.00 N ATOM 2080 CZ ARG A 131 -0.653 -10.527 15.896 1.00 0.00 C ATOM 2081 NH1 ARG A 131 -0.508 -9.241 16.245 1.00 0.00 N ATOM 2082 NH2 ARG A 131 -0.481 -11.493 16.808 1.00 0.00 N ATOM 0 H ARG A 131 -3.015 -9.534 9.701 1.00 0.00 H new ATOM 0 HA ARG A 131 -1.703 -11.871 10.135 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -3.245 -9.953 11.789 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -3.108 -11.551 12.496 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -0.640 -11.484 12.248 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -0.740 -9.930 11.444 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -0.381 -9.114 13.568 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -2.115 -9.319 13.719 1.00 0.00 H new ATOM 0 HE ARG A 131 -1.070 -11.834 14.401 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -0.638 -8.506 15.550 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -0.268 -8.997 17.206 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -0.590 -12.471 16.541 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -0.241 -11.250 17.769 1.00 0.00 H new ATOM 2096 N LYS A 132 -4.951 -12.294 10.657 1.00 0.00 N ATOM 2097 CA LYS A 132 -6.015 -13.283 10.685 1.00 0.00 C ATOM 2098 C LYS A 132 -5.966 -14.115 9.402 1.00 0.00 C ATOM 2099 O LYS A 132 -6.215 -15.320 9.429 1.00 0.00 O ATOM 2100 CB LYS A 132 -7.367 -12.609 10.929 1.00 0.00 C ATOM 2101 CG LYS A 132 -8.425 -13.133 9.955 1.00 0.00 C ATOM 2102 CD LYS A 132 -8.401 -12.345 8.644 1.00 0.00 C ATOM 2103 CE LYS A 132 -8.877 -13.210 7.476 1.00 0.00 C ATOM 2104 NZ LYS A 132 -10.340 -13.078 7.295 1.00 0.00 N ATOM 0 H LYS A 132 -5.248 -11.342 10.871 1.00 0.00 H new ATOM 0 HA LYS A 132 -5.873 -13.972 11.518 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -7.689 -12.792 11.954 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -7.265 -11.530 10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -8.247 -14.189 9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -9.413 -13.058 10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -9.038 -11.465 8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -7.390 -11.988 8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -8.363 -12.912 6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -8.620 -14.253 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.646 -13.672 6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -10.826 -13.384 8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -10.577 -12.085 7.098 1.00 0.00 H new ATOM 2118 N ALA A 133 -5.643 -13.441 8.309 1.00 0.00 N ATOM 2119 CA ALA A 133 -5.557 -14.103 7.018 1.00 0.00 C ATOM 2120 C ALA A 133 -4.388 -15.089 7.032 1.00 0.00 C ATOM 2121 O ALA A 133 -4.443 -16.133 6.383 1.00 0.00 O ATOM 2122 CB ALA A 133 -5.422 -13.053 5.913 1.00 0.00 C ATOM 0 H ALA A 133 -5.437 -12.442 8.290 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.465 -14.672 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -5.358 -13.550 4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -6.292 -12.396 5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -4.520 -12.464 6.079 1.00 0.00 H new ATOM 2128 N LEU A 134 -3.356 -14.724 7.779 1.00 0.00 N ATOM 2129 CA LEU A 134 -2.175 -15.563 7.886 1.00 0.00 C ATOM 2130 C LEU A 134 -2.421 -16.651 8.933 1.00 0.00 C ATOM 2131 O LEU A 134 -2.140 -17.824 8.692 1.00 0.00 O ATOM 2132 CB LEU A 134 -0.935 -14.711 8.164 1.00 0.00 C ATOM 2133 CG LEU A 134 -0.472 -14.657 9.621 1.00 0.00 C ATOM 2134 CD1 LEU A 134 0.029 -16.024 10.089 1.00 0.00 C ATOM 2135 CD2 LEU A 134 0.577 -13.562 9.823 1.00 0.00 C ATOM 0 H LEU A 134 -3.314 -13.858 8.316 1.00 0.00 H new ATOM 0 HA LEU A 134 -1.980 -16.068 6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -0.114 -15.091 7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -1.135 -13.693 7.829 1.00 0.00 H new ATOM 0 HG LEU A 134 -1.330 -14.399 10.242 1.00 0.00 H new ATOM 0 HD11 LEU A 134 0.352 -15.957 11.128 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.776 -16.755 10.005 1.00 0.00 H new ATOM 0 HD13 LEU A 134 0.868 -16.336 9.468 1.00 0.00 H new ATOM 0 HD21 LEU A 134 0.889 -13.545 10.867 1.00 0.00 H new ATOM 0 HD22 LEU A 134 1.441 -13.764 9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 134 0.150 -12.595 9.556 1.00 0.00 H new ATOM 2147 N THR A 135 -2.944 -16.224 10.073 1.00 0.00 N ATOM 2148 CA THR A 135 -3.231 -17.147 11.157 1.00 0.00 C ATOM 2149 C THR A 135 -4.544 -17.886 10.894 1.00 0.00 C ATOM 2150 O THR A 135 -5.406 -17.960 11.770 1.00 0.00 O ATOM 2151 CB THR A 135 -3.232 -16.354 12.466 1.00 0.00 C ATOM 2152 OG1 THR A 135 -3.833 -15.110 12.117 1.00 0.00 O ATOM 2153 CG2 THR A 135 -1.821 -15.972 12.920 1.00 0.00 C ATOM 0 H THR A 135 -3.176 -15.250 10.269 1.00 0.00 H new ATOM 0 HA THR A 135 -2.467 -17.921 11.230 1.00 0.00 H new ATOM 0 HB THR A 135 -3.718 -16.940 13.246 1.00 0.00 H new ATOM 0 HG1 THR A 135 -3.156 -14.517 11.729 1.00 0.00 H new ATOM 0 HG21 THR A 135 -1.878 -15.411 13.853 1.00 0.00 H new ATOM 0 HG22 THR A 135 -1.232 -16.876 13.076 1.00 0.00 H new ATOM 0 HG23 THR A 135 -1.347 -15.357 12.155 1.00 0.00 H new ATOM 2161 N SER A 136 -4.656 -18.416 9.685 1.00 0.00 N ATOM 2162 CA SER A 136 -5.850 -19.147 9.296 1.00 0.00 C ATOM 2163 C SER A 136 -5.971 -20.429 10.123 1.00 0.00 C ATOM 2164 O SER A 136 -6.885 -21.224 9.911 1.00 0.00 O ATOM 2165 CB SER A 136 -5.831 -19.479 7.802 1.00 0.00 C ATOM 2166 OG SER A 136 -7.121 -19.842 7.319 1.00 0.00 O ATOM 0 H SER A 136 -3.939 -18.354 8.962 1.00 0.00 H new ATOM 0 HA SER A 136 -6.716 -18.514 9.489 1.00 0.00 H new ATOM 0 HB2 SER A 136 -5.464 -18.617 7.244 1.00 0.00 H new ATOM 0 HB3 SER A 136 -5.133 -20.296 7.621 1.00 0.00 H new ATOM 0 HG SER A 136 -7.551 -20.448 7.958 1.00 0.00 H new TER 2172 SER A 136