USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 648 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 77 LYS NZ :NH3+ 178:sc= 1.89 (180deg=1.11) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0.57 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 57 MET CE :methyl 145:sc= -1.68 (180deg=-2.77!) USER MOD Set 3.1: A 45 LYS NZ :NH3+ -164:sc= 0.632 (180deg=-0.0422) USER MOD Set 3.2: A 48 ASN : amide:sc= -0.602 K(o=0.031,f=-5.5!) USER MOD Set 4.1: A 43 CYS SG : rot 99:sc= 0.957 USER MOD Set 4.2: A 54 SER OG : rot 67:sc= 0.633 USER MOD Set 5.1: A 33 GLN : amide:sc= -0.0745 K(o=-1.8,f=-2.7) USER MOD Set 5.2: A 70 MET CE :methyl 146:sc= -1.73 (180deg=-3.14) USER MOD Set 5.3: A 76 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 31:sc= 0.311 USER MOD Single : A 24 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.043) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -5.75! C(o=-5.7!,f=-5.1!) USER MOD Single : A 32 GLN : amide:sc= -0.22 K(o=-0.22,f=-0.9) USER MOD Single : A 36 GLN : amide:sc= -1.05 K(o=-1,f=0) USER MOD Single : A 38 THR OG1 : rot -101:sc= -1.11! USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.096) USER MOD Single : A 49 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.5!) USER MOD Single : A 50 SER OG : rot -97:sc= 0.784 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 60 THR OG1 : rot 73:sc= 1.08 USER MOD Single : A 64 GLN : amide:sc= -2.21! K(o=-2.2!,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 155:sc= 0.576 (180deg=0.284) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.17! K(o=-1.2!,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -128:sc= -3.78! (180deg=-5.81!) USER MOD Single : A 87 TYR OH : rot 120:sc= -0.0518 USER MOD Single : A 89 ASN : amide:sc= -1.66 K(o=-1.7,f=0) USER MOD Single : A 92 THR OG1 : rot 0:sc= 1.04 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 19 12.811 -12.462 -4.292 1.00 0.00 N ATOM 2 CA THR A 19 12.285 -12.823 -5.623 1.00 0.00 C ATOM 3 C THR A 19 10.836 -12.363 -5.773 1.00 0.00 C ATOM 4 O THR A 19 9.906 -13.173 -5.767 1.00 0.00 O ATOM 5 CB THR A 19 12.369 -14.348 -5.852 1.00 0.00 C ATOM 6 OG1 THR A 19 13.633 -14.843 -5.383 1.00 0.00 O ATOM 7 CG2 THR A 19 12.214 -14.685 -7.331 1.00 0.00 C ATOM 0 HA THR A 19 12.898 -12.319 -6.370 1.00 0.00 H new ATOM 0 HB THR A 19 11.558 -14.820 -5.298 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.937 -14.300 -4.626 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.277 -15.765 -7.467 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.246 -14.330 -7.686 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.008 -14.201 -7.900 1.00 0.00 H new ATOM 15 N ILE A 20 10.645 -11.055 -5.887 1.00 0.00 N ATOM 16 CA ILE A 20 9.318 -10.493 -6.088 1.00 0.00 C ATOM 17 C ILE A 20 9.346 -9.394 -7.151 1.00 0.00 C ATOM 18 O ILE A 20 8.960 -9.626 -8.298 1.00 0.00 O ATOM 19 CB ILE A 20 8.693 -9.986 -4.750 1.00 0.00 C ATOM 20 CG1 ILE A 20 7.496 -9.046 -4.981 1.00 0.00 C ATOM 21 CG2 ILE A 20 9.738 -9.302 -3.878 1.00 0.00 C ATOM 22 CD1 ILE A 20 6.492 -9.546 -5.993 1.00 0.00 C ATOM 0 H ILE A 20 11.394 -10.364 -5.843 1.00 0.00 H new ATOM 0 HA ILE A 20 8.673 -11.292 -6.453 1.00 0.00 H new ATOM 0 HB ILE A 20 8.322 -10.868 -4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.986 -8.887 -4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.870 -8.076 -5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.273 -8.960 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 20 10.535 -10.008 -3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.155 -8.448 -4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.684 -8.822 -6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.982 -9.677 -6.958 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.085 -10.501 -5.660 1.00 0.00 H new ATOM 34 N ASP A 21 9.812 -8.213 -6.785 1.00 0.00 N ATOM 35 CA ASP A 21 9.809 -7.091 -7.702 1.00 0.00 C ATOM 36 C ASP A 21 11.056 -6.242 -7.461 1.00 0.00 C ATOM 37 O ASP A 21 12.011 -6.717 -6.848 1.00 0.00 O ATOM 38 CB ASP A 21 8.539 -6.248 -7.513 1.00 0.00 C ATOM 39 CG ASP A 21 8.196 -5.431 -8.745 1.00 0.00 C ATOM 40 OD1 ASP A 21 7.456 -5.936 -9.611 1.00 0.00 O ATOM 41 OD2 ASP A 21 8.659 -4.276 -8.846 1.00 0.00 O ATOM 0 H ASP A 21 10.196 -8.008 -5.862 1.00 0.00 H new ATOM 0 HA ASP A 21 9.819 -7.462 -8.727 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.703 -6.905 -7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.674 -5.579 -6.663 1.00 0.00 H new ATOM 46 N VAL A 22 11.049 -4.998 -7.919 1.00 0.00 N ATOM 47 CA VAL A 22 12.152 -4.082 -7.646 1.00 0.00 C ATOM 48 C VAL A 22 12.129 -3.687 -6.172 1.00 0.00 C ATOM 49 O VAL A 22 13.126 -3.243 -5.606 1.00 0.00 O ATOM 50 CB VAL A 22 12.069 -2.812 -8.531 1.00 0.00 C ATOM 51 CG1 VAL A 22 10.878 -1.943 -8.143 1.00 0.00 C ATOM 52 CG2 VAL A 22 13.364 -2.016 -8.450 1.00 0.00 C ATOM 0 H VAL A 22 10.296 -4.599 -8.479 1.00 0.00 H new ATOM 0 HA VAL A 22 13.086 -4.592 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 22 11.925 -3.133 -9.563 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.848 -1.061 -8.782 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.957 -2.512 -8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.977 -1.634 -7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.286 -1.129 -9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.542 -1.715 -7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.193 -2.633 -8.796 1.00 0.00 H new ATOM 62 N LEU A 23 10.971 -3.889 -5.563 1.00 0.00 N ATOM 63 CA LEU A 23 10.739 -3.527 -4.178 1.00 0.00 C ATOM 64 C LEU A 23 11.630 -4.357 -3.257 1.00 0.00 C ATOM 65 O LEU A 23 11.461 -5.572 -3.135 1.00 0.00 O ATOM 66 CB LEU A 23 9.264 -3.750 -3.834 1.00 0.00 C ATOM 67 CG LEU A 23 8.273 -3.374 -4.945 1.00 0.00 C ATOM 68 CD1 LEU A 23 6.841 -3.622 -4.497 1.00 0.00 C ATOM 69 CD2 LEU A 23 8.460 -1.927 -5.386 1.00 0.00 C ATOM 0 H LEU A 23 10.163 -4.311 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 23 10.985 -2.475 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.121 -4.800 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.023 -3.171 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 23 8.478 -4.012 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.156 -3.349 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.713 -4.677 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.626 -3.018 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.744 -1.691 -6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.297 -1.264 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.473 -1.790 -5.764 1.00 0.00 H new ATOM 81 N GLN A 24 12.595 -3.699 -2.637 1.00 0.00 N ATOM 82 CA GLN A 24 13.518 -4.366 -1.739 1.00 0.00 C ATOM 83 C GLN A 24 13.145 -4.068 -0.295 1.00 0.00 C ATOM 84 O GLN A 24 12.509 -3.054 -0.007 1.00 0.00 O ATOM 85 CB GLN A 24 14.951 -3.918 -2.018 1.00 0.00 C ATOM 86 CG GLN A 24 15.402 -4.161 -3.450 1.00 0.00 C ATOM 87 CD GLN A 24 15.436 -5.632 -3.826 1.00 0.00 C ATOM 88 OE1 GLN A 24 16.438 -6.313 -3.618 1.00 0.00 O ATOM 89 NE2 GLN A 24 14.353 -6.123 -4.406 1.00 0.00 N ATOM 0 H GLN A 24 12.759 -2.698 -2.741 1.00 0.00 H new ATOM 0 HA GLN A 24 13.454 -5.441 -1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 24 15.039 -2.855 -1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 24 15.624 -4.443 -1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.732 -3.635 -4.129 1.00 0.00 H new ATOM 0 HG3 GLN A 24 16.395 -3.734 -3.588 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.542 -5.525 -4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.329 -7.100 -4.698 1.00 0.00 H new ATOM 98 N PHE A 25 13.529 -4.952 0.607 1.00 0.00 N ATOM 99 CA PHE A 25 13.222 -4.779 2.019 1.00 0.00 C ATOM 100 C PHE A 25 14.451 -5.065 2.863 1.00 0.00 C ATOM 101 O PHE A 25 15.081 -6.113 2.741 1.00 0.00 O ATOM 102 CB PHE A 25 12.053 -5.682 2.444 1.00 0.00 C ATOM 103 CG PHE A 25 10.827 -5.519 1.585 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.996 -4.420 1.735 1.00 0.00 C ATOM 105 CD2 PHE A 25 10.501 -6.476 0.637 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.865 -4.278 0.950 1.00 0.00 C ATOM 107 CE2 PHE A 25 9.374 -6.338 -0.149 1.00 0.00 C ATOM 108 CZ PHE A 25 8.571 -5.198 -0.008 1.00 0.00 C ATOM 0 H PHE A 25 14.055 -5.799 0.389 1.00 0.00 H new ATOM 0 HA PHE A 25 12.921 -3.744 2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.376 -6.722 2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.793 -5.464 3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.233 -3.667 2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.136 -7.340 0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.212 -3.431 1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.114 -7.102 -0.866 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.721 -5.050 -0.658 1.00 0.00 H new ATOM 118 N LYS A 26 14.785 -4.080 3.697 1.00 0.00 N ATOM 119 CA LYS A 26 15.914 -4.150 4.616 1.00 0.00 C ATOM 120 C LYS A 26 15.891 -5.443 5.421 1.00 0.00 C ATOM 121 O LYS A 26 16.932 -6.044 5.694 1.00 0.00 O ATOM 122 CB LYS A 26 15.872 -2.927 5.546 1.00 0.00 C ATOM 123 CG LYS A 26 16.291 -3.205 6.981 1.00 0.00 C ATOM 124 CD LYS A 26 15.094 -3.192 7.925 1.00 0.00 C ATOM 125 CE LYS A 26 14.722 -1.775 8.327 1.00 0.00 C ATOM 126 NZ LYS A 26 13.643 -1.746 9.349 1.00 0.00 N ATOM 0 H LYS A 26 14.270 -3.201 3.752 1.00 0.00 H new ATOM 0 HA LYS A 26 16.842 -4.144 4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.521 -2.153 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.859 -2.525 5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.788 -4.174 7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.016 -2.457 7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.242 -3.670 7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.325 -3.776 8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.604 -1.267 8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.400 -1.222 7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.422 -0.759 9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.792 -2.207 8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.959 -2.251 10.202 1.00 0.00 H new ATOM 140 N ASP A 27 14.693 -5.844 5.795 1.00 0.00 N ATOM 141 CA ASP A 27 14.465 -7.071 6.529 1.00 0.00 C ATOM 142 C ASP A 27 12.995 -7.402 6.376 1.00 0.00 C ATOM 143 O ASP A 27 12.298 -6.702 5.633 1.00 0.00 O ATOM 144 CB ASP A 27 14.828 -6.899 8.007 1.00 0.00 C ATOM 145 CG ASP A 27 15.324 -8.183 8.644 1.00 0.00 C ATOM 146 OD1 ASP A 27 14.639 -9.219 8.505 1.00 0.00 O ATOM 147 OD2 ASP A 27 16.386 -8.159 9.298 1.00 0.00 O ATOM 0 H ASP A 27 13.841 -5.320 5.595 1.00 0.00 H new ATOM 0 HA ASP A 27 15.090 -7.875 6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.597 -6.132 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.954 -6.543 8.552 1.00 0.00 H new ATOM 152 N GLU A 28 12.494 -8.407 7.074 1.00 0.00 N ATOM 153 CA GLU A 28 11.083 -8.727 6.961 1.00 0.00 C ATOM 154 C GLU A 28 10.263 -7.577 7.533 1.00 0.00 C ATOM 155 O GLU A 28 9.154 -7.321 7.092 1.00 0.00 O ATOM 156 CB GLU A 28 10.733 -10.057 7.653 1.00 0.00 C ATOM 157 CG GLU A 28 10.399 -9.952 9.138 1.00 0.00 C ATOM 158 CD GLU A 28 11.613 -9.787 10.026 1.00 0.00 C ATOM 159 OE1 GLU A 28 12.074 -8.638 10.195 1.00 0.00 O ATOM 160 OE2 GLU A 28 12.128 -10.804 10.534 1.00 0.00 O ATOM 0 H GLU A 28 13.027 -9.001 7.709 1.00 0.00 H new ATOM 0 HA GLU A 28 10.841 -8.857 5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.883 -10.503 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.573 -10.741 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.730 -9.105 9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.856 -10.847 9.443 1.00 0.00 H new ATOM 167 N ALA A 29 10.856 -6.860 8.486 1.00 0.00 N ATOM 168 CA ALA A 29 10.217 -5.713 9.122 1.00 0.00 C ATOM 169 C ALA A 29 9.875 -4.631 8.114 1.00 0.00 C ATOM 170 O ALA A 29 8.843 -3.971 8.227 1.00 0.00 O ATOM 171 CB ALA A 29 11.119 -5.131 10.190 1.00 0.00 C ATOM 0 H ALA A 29 11.793 -7.059 8.838 1.00 0.00 H new ATOM 0 HA ALA A 29 9.291 -6.069 9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.628 -4.276 10.655 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.322 -5.889 10.947 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.057 -4.809 9.738 1.00 0.00 H new ATOM 177 N GLN A 30 10.746 -4.434 7.126 1.00 0.00 N ATOM 178 CA GLN A 30 10.484 -3.428 6.109 1.00 0.00 C ATOM 179 C GLN A 30 9.297 -3.876 5.281 1.00 0.00 C ATOM 180 O GLN A 30 8.500 -3.070 4.803 1.00 0.00 O ATOM 181 CB GLN A 30 11.692 -3.188 5.199 1.00 0.00 C ATOM 182 CG GLN A 30 11.605 -1.843 4.506 1.00 0.00 C ATOM 183 CD GLN A 30 12.879 -1.427 3.805 1.00 0.00 C ATOM 184 OE1 GLN A 30 13.765 -0.833 4.413 1.00 0.00 O ATOM 185 NE2 GLN A 30 12.968 -1.700 2.515 1.00 0.00 N ATOM 0 H GLN A 30 11.620 -4.947 7.012 1.00 0.00 H new ATOM 0 HA GLN A 30 10.273 -2.484 6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.608 -3.237 5.788 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.750 -3.980 4.453 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.795 -1.873 3.777 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.343 -1.083 5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.210 -2.196 2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.794 -1.415 1.989 1.00 0.00 H new ATOM 194 N GLU A 31 9.183 -5.186 5.152 1.00 0.00 N ATOM 195 CA GLU A 31 8.086 -5.794 4.432 1.00 0.00 C ATOM 196 C GLU A 31 6.821 -5.808 5.303 1.00 0.00 C ATOM 197 O GLU A 31 5.704 -5.783 4.794 1.00 0.00 O ATOM 198 CB GLU A 31 8.486 -7.208 4.004 1.00 0.00 C ATOM 199 CG GLU A 31 7.409 -7.945 3.232 1.00 0.00 C ATOM 200 CD GLU A 31 7.843 -9.328 2.799 1.00 0.00 C ATOM 201 OE1 GLU A 31 7.765 -10.260 3.620 1.00 0.00 O ATOM 202 OE2 GLU A 31 8.294 -9.478 1.647 1.00 0.00 O ATOM 0 H GLU A 31 9.848 -5.854 5.543 1.00 0.00 H new ATOM 0 HA GLU A 31 7.863 -5.211 3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.384 -7.150 3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.743 -7.786 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.515 -8.026 3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.135 -7.363 2.352 1.00 0.00 H new ATOM 209 N GLN A 32 7.007 -5.823 6.620 1.00 0.00 N ATOM 210 CA GLN A 32 5.892 -5.749 7.562 1.00 0.00 C ATOM 211 C GLN A 32 5.268 -4.361 7.531 1.00 0.00 C ATOM 212 O GLN A 32 4.053 -4.213 7.642 1.00 0.00 O ATOM 213 CB GLN A 32 6.369 -6.064 8.979 1.00 0.00 C ATOM 214 CG GLN A 32 7.012 -7.431 9.114 1.00 0.00 C ATOM 215 CD GLN A 32 7.391 -7.772 10.538 1.00 0.00 C ATOM 216 OE1 GLN A 32 7.705 -6.896 11.344 1.00 0.00 O ATOM 217 NE2 GLN A 32 7.368 -9.054 10.854 1.00 0.00 N ATOM 0 H GLN A 32 7.924 -5.886 7.062 1.00 0.00 H new ATOM 0 HA GLN A 32 5.144 -6.485 7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.085 -5.303 9.290 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.521 -6.002 9.661 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.324 -8.188 8.736 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.904 -7.470 8.488 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.102 -9.747 10.155 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.617 -9.351 11.798 1.00 0.00 H new ATOM 226 N GLN A 33 6.105 -3.337 7.394 1.00 0.00 N ATOM 227 CA GLN A 33 5.602 -1.988 7.175 1.00 0.00 C ATOM 228 C GLN A 33 4.831 -1.955 5.871 1.00 0.00 C ATOM 229 O GLN A 33 3.758 -1.364 5.783 1.00 0.00 O ATOM 230 CB GLN A 33 6.733 -0.965 7.123 1.00 0.00 C ATOM 231 CG GLN A 33 6.239 0.460 6.970 1.00 0.00 C ATOM 232 CD GLN A 33 7.352 1.474 7.106 1.00 0.00 C ATOM 233 OE1 GLN A 33 7.976 1.872 6.124 1.00 0.00 O ATOM 234 NE2 GLN A 33 7.617 1.886 8.334 1.00 0.00 N ATOM 0 H GLN A 33 7.121 -3.415 7.430 1.00 0.00 H new ATOM 0 HA GLN A 33 4.953 -1.725 8.011 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.326 -1.042 8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.394 -1.205 6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.764 0.574 5.996 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.476 0.660 7.722 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.074 1.529 9.120 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.365 2.561 8.495 1.00 0.00 H new ATOM 243 N PHE A 34 5.392 -2.619 4.870 1.00 0.00 N ATOM 244 CA PHE A 34 4.754 -2.758 3.573 1.00 0.00 C ATOM 245 C PHE A 34 3.399 -3.437 3.738 1.00 0.00 C ATOM 246 O PHE A 34 2.447 -3.112 3.035 1.00 0.00 O ATOM 247 CB PHE A 34 5.668 -3.566 2.642 1.00 0.00 C ATOM 248 CG PHE A 34 5.208 -3.639 1.214 1.00 0.00 C ATOM 249 CD1 PHE A 34 5.401 -2.570 0.354 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.570 -4.771 0.735 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.967 -2.629 -0.955 1.00 0.00 C ATOM 252 CE2 PHE A 34 4.135 -4.837 -0.575 1.00 0.00 C ATOM 253 CZ PHE A 34 4.382 -3.782 -1.435 1.00 0.00 C ATOM 0 H PHE A 34 6.302 -3.075 4.936 1.00 0.00 H new ATOM 0 HA PHE A 34 4.590 -1.776 3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.666 -3.128 2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.756 -4.580 3.033 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.897 -1.680 0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.411 -5.612 1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.085 -1.773 -1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.604 -5.709 -0.926 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.118 -3.861 -2.479 1.00 0.00 H new ATOM 263 N ARG A 35 3.324 -4.365 4.691 1.00 0.00 N ATOM 264 CA ARG A 35 2.074 -5.041 5.032 1.00 0.00 C ATOM 265 C ARG A 35 1.038 -4.051 5.553 1.00 0.00 C ATOM 266 O ARG A 35 -0.078 -3.989 5.053 1.00 0.00 O ATOM 267 CB ARG A 35 2.325 -6.107 6.105 1.00 0.00 C ATOM 268 CG ARG A 35 2.350 -7.534 5.594 1.00 0.00 C ATOM 269 CD ARG A 35 3.371 -7.725 4.496 1.00 0.00 C ATOM 270 NE ARG A 35 2.830 -8.505 3.384 1.00 0.00 N ATOM 271 CZ ARG A 35 3.487 -9.482 2.760 1.00 0.00 C ATOM 272 NH1 ARG A 35 4.682 -9.870 3.192 1.00 0.00 N ATOM 273 NH2 ARG A 35 2.934 -10.090 1.718 1.00 0.00 N ATOM 0 H ARG A 35 4.124 -4.668 5.246 1.00 0.00 H new ATOM 0 HA ARG A 35 1.693 -5.509 4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.277 -5.894 6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.551 -6.023 6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.574 -8.210 6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.362 -7.803 5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.700 -6.752 4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.250 -8.228 4.900 1.00 0.00 H new ATOM 0 HE ARG A 35 1.886 -8.287 3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.101 -9.419 4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.180 -10.618 2.710 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.008 -9.809 1.396 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.435 -10.838 1.239 1.00 0.00 H new ATOM 287 N GLN A 36 1.431 -3.246 6.535 1.00 0.00 N ATOM 288 CA GLN A 36 0.505 -2.308 7.165 1.00 0.00 C ATOM 289 C GLN A 36 0.114 -1.211 6.196 1.00 0.00 C ATOM 290 O GLN A 36 -1.058 -0.863 6.075 1.00 0.00 O ATOM 291 CB GLN A 36 1.131 -1.681 8.413 1.00 0.00 C ATOM 292 CG GLN A 36 1.634 -2.695 9.427 1.00 0.00 C ATOM 293 CD GLN A 36 2.250 -2.041 10.647 1.00 0.00 C ATOM 294 OE1 GLN A 36 2.200 -2.586 11.749 1.00 0.00 O ATOM 295 NE2 GLN A 36 2.839 -0.867 10.463 1.00 0.00 N ATOM 0 H GLN A 36 2.379 -3.223 6.911 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.385 -2.866 7.455 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.961 -1.043 8.109 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.394 -1.037 8.893 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.807 -3.332 9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.373 -3.341 8.953 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.860 -0.447 9.534 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.271 -0.384 11.251 1.00 0.00 H new ATOM 304 N LEU A 37 1.103 -0.685 5.493 1.00 0.00 N ATOM 305 CA LEU A 37 0.889 0.412 4.567 1.00 0.00 C ATOM 306 C LEU A 37 -0.043 0.001 3.422 1.00 0.00 C ATOM 307 O LEU A 37 -0.671 0.849 2.793 1.00 0.00 O ATOM 308 CB LEU A 37 2.232 0.926 4.032 1.00 0.00 C ATOM 309 CG LEU A 37 3.173 1.531 5.082 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.420 2.096 4.423 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.471 2.602 5.904 1.00 0.00 C ATOM 0 H LEU A 37 2.070 -1.004 5.548 1.00 0.00 H new ATOM 0 HA LEU A 37 0.401 1.224 5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.747 0.101 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.035 1.679 3.269 1.00 0.00 H new ATOM 0 HG LEU A 37 3.471 0.731 5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.074 2.520 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.946 1.300 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.136 2.874 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.165 3.010 6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.129 3.400 5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.615 2.164 6.418 1.00 0.00 H new ATOM 323 N THR A 38 -0.133 -1.300 3.151 1.00 0.00 N ATOM 324 CA THR A 38 -1.027 -1.787 2.110 1.00 0.00 C ATOM 325 C THR A 38 -2.364 -2.274 2.678 1.00 0.00 C ATOM 326 O THR A 38 -3.373 -2.310 1.967 1.00 0.00 O ATOM 327 CB THR A 38 -0.388 -2.921 1.286 1.00 0.00 C ATOM 328 OG1 THR A 38 0.193 -3.909 2.142 1.00 0.00 O ATOM 329 CG2 THR A 38 0.664 -2.372 0.343 1.00 0.00 C ATOM 0 H THR A 38 0.397 -2.026 3.633 1.00 0.00 H new ATOM 0 HA THR A 38 -1.212 -0.934 1.457 1.00 0.00 H new ATOM 0 HB THR A 38 -1.177 -3.390 0.698 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.164 -3.780 2.179 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.102 -3.190 -0.229 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.204 -1.658 -0.340 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.444 -1.873 0.919 1.00 0.00 H new ATOM 337 N GLU A 39 -2.381 -2.652 3.955 1.00 0.00 N ATOM 338 CA GLU A 39 -3.581 -3.232 4.551 1.00 0.00 C ATOM 339 C GLU A 39 -4.414 -2.211 5.317 1.00 0.00 C ATOM 340 O GLU A 39 -5.618 -2.398 5.485 1.00 0.00 O ATOM 341 CB GLU A 39 -3.222 -4.405 5.458 1.00 0.00 C ATOM 342 CG GLU A 39 -2.716 -5.612 4.691 1.00 0.00 C ATOM 343 CD GLU A 39 -2.449 -6.801 5.582 1.00 0.00 C ATOM 344 OE1 GLU A 39 -3.421 -7.426 6.054 1.00 0.00 O ATOM 345 OE2 GLU A 39 -1.262 -7.114 5.820 1.00 0.00 O ATOM 0 H GLU A 39 -1.587 -2.568 4.590 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.194 -3.590 3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.460 -4.087 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.100 -4.691 6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.449 -5.889 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.799 -5.345 4.165 1.00 0.00 H new ATOM 352 N GLU A 40 -3.788 -1.134 5.770 1.00 0.00 N ATOM 353 CA GLU A 40 -4.512 -0.077 6.474 1.00 0.00 C ATOM 354 C GLU A 40 -5.161 0.866 5.458 1.00 0.00 C ATOM 355 O GLU A 40 -5.774 1.876 5.807 1.00 0.00 O ATOM 356 CB GLU A 40 -3.564 0.679 7.416 1.00 0.00 C ATOM 357 CG GLU A 40 -4.274 1.533 8.457 1.00 0.00 C ATOM 358 CD GLU A 40 -3.347 1.998 9.559 1.00 0.00 C ATOM 359 OE1 GLU A 40 -3.131 1.229 10.522 1.00 0.00 O ATOM 360 OE2 GLU A 40 -2.822 3.129 9.480 1.00 0.00 O ATOM 0 H GLU A 40 -2.787 -0.967 5.665 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.301 -0.518 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.926 -0.042 7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.911 1.318 6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.716 2.401 7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.093 0.961 8.893 1.00 0.00 H new ATOM 367 N LEU A 41 -5.031 0.500 4.193 1.00 0.00 N ATOM 368 CA LEU A 41 -5.637 1.239 3.102 1.00 0.00 C ATOM 369 C LEU A 41 -6.970 0.608 2.710 1.00 0.00 C ATOM 370 O LEU A 41 -7.066 -0.611 2.552 1.00 0.00 O ATOM 371 CB LEU A 41 -4.680 1.270 1.906 1.00 0.00 C ATOM 372 CG LEU A 41 -5.280 1.753 0.587 1.00 0.00 C ATOM 373 CD1 LEU A 41 -5.910 3.121 0.758 1.00 0.00 C ATOM 374 CD2 LEU A 41 -4.211 1.779 -0.491 1.00 0.00 C ATOM 0 H LEU A 41 -4.501 -0.319 3.895 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.828 2.262 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.836 1.913 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.283 0.266 1.757 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.063 1.059 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.332 3.449 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.700 3.067 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.151 3.833 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.648 2.125 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.410 2.455 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.807 0.776 -0.627 1.00 0.00 H new ATOM 386 N ARG A 42 -7.992 1.438 2.551 1.00 0.00 N ATOM 387 CA ARG A 42 -9.316 0.949 2.210 1.00 0.00 C ATOM 388 C ARG A 42 -9.509 0.922 0.701 1.00 0.00 C ATOM 389 O ARG A 42 -9.266 1.914 0.016 1.00 0.00 O ATOM 390 CB ARG A 42 -10.416 1.826 2.827 1.00 0.00 C ATOM 391 CG ARG A 42 -11.678 1.054 3.190 1.00 0.00 C ATOM 392 CD ARG A 42 -12.926 1.916 3.078 1.00 0.00 C ATOM 393 NE ARG A 42 -14.140 1.168 3.396 1.00 0.00 N ATOM 394 CZ ARG A 42 -15.357 1.710 3.438 1.00 0.00 C ATOM 395 NH1 ARG A 42 -15.516 3.010 3.219 1.00 0.00 N ATOM 396 NH2 ARG A 42 -16.409 0.954 3.719 1.00 0.00 N ATOM 0 H ARG A 42 -7.927 2.451 2.653 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.394 -0.061 2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.025 2.309 3.723 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.674 2.619 2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.775 0.189 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.590 0.674 4.208 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.839 2.769 3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.001 2.315 2.066 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.051 0.172 3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.706 3.596 3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.448 3.422 3.252 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.287 -0.042 3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.341 1.368 3.751 1.00 0.00 H new ATOM 410 N CYS A 43 -9.941 -0.214 0.191 1.00 0.00 N ATOM 411 CA CYS A 43 -10.350 -0.324 -1.197 1.00 0.00 C ATOM 412 C CYS A 43 -11.823 -0.727 -1.253 1.00 0.00 C ATOM 413 O CYS A 43 -12.222 -1.731 -0.661 1.00 0.00 O ATOM 414 CB CYS A 43 -9.464 -1.333 -1.933 1.00 0.00 C ATOM 415 SG CYS A 43 -8.969 -2.742 -0.916 1.00 0.00 S ATOM 0 H CYS A 43 -10.019 -1.082 0.722 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.232 0.638 -1.696 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.997 -1.699 -2.811 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.570 -0.824 -2.293 1.00 0.00 H new ATOM 0 HG CYS A 43 -9.740 -3.756 -1.175 1.00 0.00 H new ATOM 421 N PRO A 44 -12.656 0.065 -1.945 1.00 0.00 N ATOM 422 CA PRO A 44 -14.113 -0.117 -1.954 1.00 0.00 C ATOM 423 C PRO A 44 -14.588 -1.303 -2.800 1.00 0.00 C ATOM 424 O PRO A 44 -15.679 -1.272 -3.374 1.00 0.00 O ATOM 425 CB PRO A 44 -14.628 1.201 -2.532 1.00 0.00 C ATOM 426 CG PRO A 44 -13.514 1.721 -3.377 1.00 0.00 C ATOM 427 CD PRO A 44 -12.234 1.212 -2.769 1.00 0.00 C ATOM 0 HA PRO A 44 -14.486 -0.346 -0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.531 1.046 -3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.883 1.905 -1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.617 1.378 -4.406 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.524 2.811 -3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.521 0.910 -3.536 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.747 1.978 -2.166 1.00 0.00 H new ATOM 435 N LYS A 45 -13.777 -2.352 -2.857 1.00 0.00 N ATOM 436 CA LYS A 45 -14.146 -3.570 -3.565 1.00 0.00 C ATOM 437 C LYS A 45 -15.000 -4.463 -2.669 1.00 0.00 C ATOM 438 O LYS A 45 -15.818 -5.238 -3.159 1.00 0.00 O ATOM 439 CB LYS A 45 -12.900 -4.328 -4.028 1.00 0.00 C ATOM 440 CG LYS A 45 -13.212 -5.658 -4.699 1.00 0.00 C ATOM 441 CD LYS A 45 -14.045 -5.485 -5.957 1.00 0.00 C ATOM 442 CE LYS A 45 -14.432 -6.830 -6.554 1.00 0.00 C ATOM 443 NZ LYS A 45 -13.251 -7.576 -7.073 1.00 0.00 N ATOM 0 H LYS A 45 -12.856 -2.383 -2.419 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.726 -3.291 -4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.341 -3.702 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.253 -4.506 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.280 -6.164 -4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.745 -6.300 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.945 -4.916 -5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.483 -4.907 -6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.935 -7.431 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.146 -6.675 -7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.572 -8.340 -7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.636 -6.927 -7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.720 -7.982 -6.277 1.00 0.00 H new ATOM 457 N CYS A 46 -14.775 -4.356 -1.354 1.00 0.00 N ATOM 458 CA CYS A 46 -15.524 -5.115 -0.339 1.00 0.00 C ATOM 459 C CYS A 46 -15.131 -6.594 -0.321 1.00 0.00 C ATOM 460 O CYS A 46 -15.086 -7.222 0.737 1.00 0.00 O ATOM 461 CB CYS A 46 -17.035 -4.968 -0.544 1.00 0.00 C ATOM 462 SG CYS A 46 -17.607 -3.251 -0.611 1.00 0.00 S ATOM 0 H CYS A 46 -14.065 -3.738 -0.960 1.00 0.00 H new ATOM 0 HA CYS A 46 -15.260 -4.691 0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -17.316 -5.470 -1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -17.553 -5.481 0.267 1.00 0.00 H new ATOM 0 HG CYS A 46 -18.895 -3.229 -0.789 1.00 0.00 H new ATOM 468 N GLN A 47 -14.867 -7.146 -1.493 1.00 0.00 N ATOM 469 CA GLN A 47 -14.438 -8.532 -1.612 1.00 0.00 C ATOM 470 C GLN A 47 -12.921 -8.630 -1.610 1.00 0.00 C ATOM 471 O GLN A 47 -12.350 -9.615 -1.138 1.00 0.00 O ATOM 472 CB GLN A 47 -15.017 -9.139 -2.884 1.00 0.00 C ATOM 473 CG GLN A 47 -16.533 -9.176 -2.870 1.00 0.00 C ATOM 474 CD GLN A 47 -17.082 -10.100 -1.797 1.00 0.00 C ATOM 475 OE1 GLN A 47 -17.303 -11.286 -2.039 1.00 0.00 O ATOM 476 NE2 GLN A 47 -17.306 -9.565 -0.605 1.00 0.00 N ATOM 0 H GLN A 47 -14.943 -6.653 -2.383 1.00 0.00 H new ATOM 0 HA GLN A 47 -14.808 -9.091 -0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -14.678 -8.563 -3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -14.633 -10.152 -3.007 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.916 -8.169 -2.708 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.894 -9.502 -3.845 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -17.110 -8.577 -0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.675 -10.141 0.152 1.00 0.00 H new ATOM 485 N ASN A 48 -12.277 -7.602 -2.141 1.00 0.00 N ATOM 486 CA ASN A 48 -10.827 -7.522 -2.131 1.00 0.00 C ATOM 487 C ASN A 48 -10.416 -6.440 -1.153 1.00 0.00 C ATOM 488 O ASN A 48 -10.321 -5.268 -1.518 1.00 0.00 O ATOM 489 CB ASN A 48 -10.255 -7.198 -3.519 1.00 0.00 C ATOM 490 CG ASN A 48 -10.693 -8.155 -4.619 1.00 0.00 C ATOM 491 OD1 ASN A 48 -11.834 -8.623 -4.651 1.00 0.00 O ATOM 492 ND2 ASN A 48 -9.790 -8.452 -5.540 1.00 0.00 N ATOM 0 H ASN A 48 -12.739 -6.809 -2.586 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.431 -8.493 -1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.553 -6.186 -3.794 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.167 -7.205 -3.461 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.029 -9.084 -6.304 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.855 -8.049 -5.486 1.00 0.00 H new ATOM 499 N ASN A 49 -10.205 -6.826 0.091 1.00 0.00 N ATOM 500 CA ASN A 49 -9.913 -5.869 1.148 1.00 0.00 C ATOM 501 C ASN A 49 -8.414 -5.731 1.342 1.00 0.00 C ATOM 502 O ASN A 49 -7.715 -6.731 1.514 1.00 0.00 O ATOM 503 CB ASN A 49 -10.585 -6.296 2.455 1.00 0.00 C ATOM 504 CG ASN A 49 -12.098 -6.255 2.360 1.00 0.00 C ATOM 505 OD1 ASN A 49 -12.665 -5.415 1.660 1.00 0.00 O ATOM 506 ND2 ASN A 49 -12.763 -7.164 3.056 1.00 0.00 N ATOM 0 H ASN A 49 -10.230 -7.798 0.398 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.312 -4.898 0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.266 -7.306 2.713 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.255 -5.642 3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -13.782 -7.186 3.024 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.256 -7.843 3.624 1.00 0.00 H new ATOM 513 N SER A 50 -7.938 -4.486 1.299 1.00 0.00 N ATOM 514 CA SER A 50 -6.517 -4.171 1.399 1.00 0.00 C ATOM 515 C SER A 50 -5.782 -4.617 0.129 1.00 0.00 C ATOM 516 O SER A 50 -5.878 -5.771 -0.293 1.00 0.00 O ATOM 517 CB SER A 50 -5.905 -4.821 2.646 1.00 0.00 C ATOM 518 OG SER A 50 -6.644 -4.475 3.811 1.00 0.00 O ATOM 0 H SER A 50 -8.533 -3.665 1.193 1.00 0.00 H new ATOM 0 HA SER A 50 -6.406 -3.091 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.891 -5.904 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.870 -4.500 2.758 1.00 0.00 H new ATOM 0 HG SER A 50 -6.208 -3.724 4.264 1.00 0.00 H new ATOM 524 N ILE A 51 -5.045 -3.689 -0.483 1.00 0.00 N ATOM 525 CA ILE A 51 -4.345 -3.962 -1.740 1.00 0.00 C ATOM 526 C ILE A 51 -3.296 -5.062 -1.570 1.00 0.00 C ATOM 527 O ILE A 51 -2.819 -5.635 -2.551 1.00 0.00 O ATOM 528 CB ILE A 51 -3.673 -2.693 -2.311 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.708 -2.082 -1.292 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.729 -1.676 -2.724 1.00 0.00 C ATOM 531 CD1 ILE A 51 -1.931 -0.897 -1.825 1.00 0.00 C ATOM 0 H ILE A 51 -4.917 -2.741 -0.129 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.102 -4.302 -2.447 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.099 -2.977 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.272 -1.770 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.006 -2.849 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.241 -0.787 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.374 -2.111 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.328 -1.401 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.268 -0.517 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.339 -1.207 -2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.625 -0.112 -2.125 1.00 0.00 H new ATOM 543 N ALA A 52 -2.957 -5.360 -0.320 1.00 0.00 N ATOM 544 CA ALA A 52 -2.022 -6.432 0.000 1.00 0.00 C ATOM 545 C ALA A 52 -2.647 -7.800 -0.251 1.00 0.00 C ATOM 546 O ALA A 52 -1.944 -8.790 -0.457 1.00 0.00 O ATOM 547 CB ALA A 52 -1.582 -6.326 1.446 1.00 0.00 C ATOM 0 H ALA A 52 -3.321 -4.868 0.496 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.154 -6.327 -0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.884 -7.132 1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.093 -5.365 1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.452 -6.405 2.098 1.00 0.00 H new ATOM 553 N ASP A 53 -3.971 -7.850 -0.210 1.00 0.00 N ATOM 554 CA ASP A 53 -4.700 -9.086 -0.456 1.00 0.00 C ATOM 555 C ASP A 53 -5.346 -9.043 -1.833 1.00 0.00 C ATOM 556 O ASP A 53 -5.612 -10.078 -2.441 1.00 0.00 O ATOM 557 CB ASP A 53 -5.765 -9.304 0.622 1.00 0.00 C ATOM 558 CG ASP A 53 -6.510 -10.615 0.451 1.00 0.00 C ATOM 559 OD1 ASP A 53 -5.949 -11.674 0.801 1.00 0.00 O ATOM 560 OD2 ASP A 53 -7.663 -10.594 -0.033 1.00 0.00 O ATOM 0 H ASP A 53 -4.564 -7.045 -0.008 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.998 -9.919 -0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.292 -9.285 1.604 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.477 -8.480 0.595 1.00 0.00 H new ATOM 565 N SER A 54 -5.584 -7.834 -2.327 1.00 0.00 N ATOM 566 CA SER A 54 -6.197 -7.652 -3.634 1.00 0.00 C ATOM 567 C SER A 54 -5.307 -8.212 -4.744 1.00 0.00 C ATOM 568 O SER A 54 -5.795 -8.840 -5.682 1.00 0.00 O ATOM 569 CB SER A 54 -6.481 -6.172 -3.888 1.00 0.00 C ATOM 570 OG SER A 54 -7.273 -5.622 -2.850 1.00 0.00 O ATOM 0 H SER A 54 -5.361 -6.965 -1.841 1.00 0.00 H new ATOM 0 HA SER A 54 -7.138 -8.201 -3.641 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.541 -5.625 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.994 -6.055 -4.843 1.00 0.00 H new ATOM 0 HG SER A 54 -6.758 -5.610 -2.017 1.00 0.00 H new ATOM 576 N ASN A 55 -3.997 -7.948 -4.624 1.00 0.00 N ATOM 577 CA ASN A 55 -2.974 -8.525 -5.514 1.00 0.00 C ATOM 578 C ASN A 55 -3.150 -8.097 -6.969 1.00 0.00 C ATOM 579 O ASN A 55 -2.474 -8.613 -7.858 1.00 0.00 O ATOM 580 CB ASN A 55 -2.981 -10.052 -5.423 1.00 0.00 C ATOM 581 CG ASN A 55 -2.552 -10.561 -4.058 1.00 0.00 C ATOM 582 OD1 ASN A 55 -1.751 -9.928 -3.370 1.00 0.00 O ATOM 583 ND2 ASN A 55 -3.081 -11.705 -3.656 1.00 0.00 N ATOM 0 H ASN A 55 -3.616 -7.329 -3.908 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.013 -8.140 -5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.983 -10.420 -5.645 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.316 -10.460 -6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.828 -12.092 -2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.742 -12.200 -4.255 1.00 0.00 H new ATOM 590 N SER A 56 -4.060 -7.164 -7.201 1.00 0.00 N ATOM 591 CA SER A 56 -4.317 -6.629 -8.532 1.00 0.00 C ATOM 592 C SER A 56 -3.069 -5.978 -9.122 1.00 0.00 C ATOM 593 O SER A 56 -2.205 -5.510 -8.377 1.00 0.00 O ATOM 594 CB SER A 56 -5.457 -5.608 -8.462 1.00 0.00 C ATOM 595 OG SER A 56 -5.583 -4.875 -9.668 1.00 0.00 O ATOM 0 H SER A 56 -4.643 -6.755 -6.471 1.00 0.00 H new ATOM 0 HA SER A 56 -4.601 -7.455 -9.184 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.394 -6.123 -8.251 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.278 -4.920 -7.636 1.00 0.00 H new ATOM 0 HG SER A 56 -6.321 -4.235 -9.586 1.00 0.00 H new ATOM 601 N MET A 57 -2.976 -5.950 -10.451 1.00 0.00 N ATOM 602 CA MET A 57 -1.867 -5.280 -11.129 1.00 0.00 C ATOM 603 C MET A 57 -1.747 -3.860 -10.611 1.00 0.00 C ATOM 604 O MET A 57 -0.668 -3.392 -10.246 1.00 0.00 O ATOM 605 CB MET A 57 -2.090 -5.215 -12.644 1.00 0.00 C ATOM 606 CG MET A 57 -2.703 -6.460 -13.240 1.00 0.00 C ATOM 607 SD MET A 57 -4.186 -6.086 -14.194 1.00 0.00 S ATOM 608 CE MET A 57 -5.244 -5.429 -12.904 1.00 0.00 C ATOM 0 H MET A 57 -3.654 -6.383 -11.078 1.00 0.00 H new ATOM 0 HA MET A 57 -0.961 -5.852 -10.928 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.735 -4.365 -12.868 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.134 -5.027 -13.132 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.973 -6.953 -13.882 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.951 -7.160 -12.443 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.866 -4.633 -13.314 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.881 -6.224 -12.516 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.629 -5.030 -12.097 1.00 0.00 H new ATOM 618 N ILE A 58 -2.893 -3.201 -10.554 1.00 0.00 N ATOM 619 CA ILE A 58 -2.965 -1.808 -10.170 1.00 0.00 C ATOM 620 C ILE A 58 -2.795 -1.672 -8.652 1.00 0.00 C ATOM 621 O ILE A 58 -2.286 -0.665 -8.165 1.00 0.00 O ATOM 622 CB ILE A 58 -4.289 -1.165 -10.685 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.351 -1.053 -9.594 1.00 0.00 C ATOM 624 CG2 ILE A 58 -4.835 -1.963 -11.863 1.00 0.00 C ATOM 625 CD1 ILE A 58 -5.220 0.210 -8.777 1.00 0.00 C ATOM 0 H ILE A 58 -3.797 -3.620 -10.773 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.148 -1.260 -10.638 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.048 -0.151 -11.005 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.340 -1.083 -10.052 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.279 -1.917 -8.933 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.760 -1.506 -12.215 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.102 -1.968 -12.670 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.034 -2.987 -11.548 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.001 0.235 -8.017 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.243 0.231 -8.294 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.321 1.077 -9.429 1.00 0.00 H new ATOM 637 N ALA A 59 -3.210 -2.693 -7.904 1.00 0.00 N ATOM 638 CA ALA A 59 -2.977 -2.717 -6.463 1.00 0.00 C ATOM 639 C ALA A 59 -1.478 -2.746 -6.197 1.00 0.00 C ATOM 640 O ALA A 59 -0.978 -2.065 -5.305 1.00 0.00 O ATOM 641 CB ALA A 59 -3.654 -3.916 -5.813 1.00 0.00 C ATOM 0 H ALA A 59 -3.705 -3.507 -8.269 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.410 -1.818 -6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.462 -3.905 -4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.729 -3.867 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.257 -4.835 -6.243 1.00 0.00 H new ATOM 647 N THR A 60 -0.769 -3.540 -6.990 1.00 0.00 N ATOM 648 CA THR A 60 0.682 -3.583 -6.944 1.00 0.00 C ATOM 649 C THR A 60 1.272 -2.240 -7.372 1.00 0.00 C ATOM 650 O THR A 60 2.258 -1.773 -6.801 1.00 0.00 O ATOM 651 CB THR A 60 1.222 -4.711 -7.842 1.00 0.00 C ATOM 652 OG1 THR A 60 0.753 -5.976 -7.354 1.00 0.00 O ATOM 653 CG2 THR A 60 2.737 -4.700 -7.871 1.00 0.00 C ATOM 0 H THR A 60 -1.184 -4.168 -7.679 1.00 0.00 H new ATOM 0 HA THR A 60 0.983 -3.785 -5.916 1.00 0.00 H new ATOM 0 HB THR A 60 0.860 -4.552 -8.858 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.200 -6.074 -7.561 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.095 -5.506 -8.512 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.087 -3.744 -8.261 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.121 -4.842 -6.861 1.00 0.00 H new ATOM 661 N ASP A 61 0.646 -1.628 -8.370 1.00 0.00 N ATOM 662 CA ASP A 61 1.015 -0.286 -8.823 1.00 0.00 C ATOM 663 C ASP A 61 1.050 0.678 -7.643 1.00 0.00 C ATOM 664 O ASP A 61 2.020 1.407 -7.441 1.00 0.00 O ATOM 665 CB ASP A 61 -0.003 0.221 -9.848 1.00 0.00 C ATOM 666 CG ASP A 61 0.546 1.329 -10.715 1.00 0.00 C ATOM 667 OD1 ASP A 61 1.776 1.375 -10.925 1.00 0.00 O ATOM 668 OD2 ASP A 61 -0.248 2.175 -11.175 1.00 0.00 O ATOM 0 H ASP A 61 -0.129 -2.043 -8.888 1.00 0.00 H new ATOM 0 HA ASP A 61 2.003 -0.338 -9.281 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.319 -0.608 -10.481 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.890 0.579 -9.326 1.00 0.00 H new ATOM 673 N LEU A 62 -0.016 0.643 -6.854 1.00 0.00 N ATOM 674 CA LEU A 62 -0.147 1.484 -5.672 1.00 0.00 C ATOM 675 C LEU A 62 0.868 1.087 -4.604 1.00 0.00 C ATOM 676 O LEU A 62 1.364 1.931 -3.859 1.00 0.00 O ATOM 677 CB LEU A 62 -1.561 1.348 -5.107 1.00 0.00 C ATOM 678 CG LEU A 62 -2.693 1.584 -6.102 1.00 0.00 C ATOM 679 CD1 LEU A 62 -4.030 1.365 -5.421 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.609 2.984 -6.688 1.00 0.00 C ATOM 0 H LEU A 62 -0.815 0.030 -7.016 1.00 0.00 H new ATOM 0 HA LEU A 62 0.043 2.518 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.671 0.347 -4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.673 2.052 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.596 0.872 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.835 1.535 -6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.085 0.342 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.132 2.060 -4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.425 3.132 -7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.685 3.719 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.656 3.106 -7.203 1.00 0.00 H new ATOM 692 N ARG A 63 1.168 -0.202 -4.531 1.00 0.00 N ATOM 693 CA ARG A 63 2.125 -0.711 -3.558 1.00 0.00 C ATOM 694 C ARG A 63 3.522 -0.158 -3.818 1.00 0.00 C ATOM 695 O ARG A 63 4.328 -0.030 -2.897 1.00 0.00 O ATOM 696 CB ARG A 63 2.140 -2.241 -3.552 1.00 0.00 C ATOM 697 CG ARG A 63 0.872 -2.840 -2.972 1.00 0.00 C ATOM 698 CD ARG A 63 1.036 -4.312 -2.637 1.00 0.00 C ATOM 699 NE ARG A 63 1.053 -5.163 -3.830 1.00 0.00 N ATOM 700 CZ ARG A 63 1.430 -6.443 -3.826 1.00 0.00 C ATOM 701 NH1 ARG A 63 1.781 -7.036 -2.691 1.00 0.00 N ATOM 702 NH2 ARG A 63 1.435 -7.142 -4.957 1.00 0.00 N ATOM 0 H ARG A 63 0.762 -0.916 -5.135 1.00 0.00 H new ATOM 0 HA ARG A 63 1.807 -0.371 -2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.273 -2.602 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.997 -2.589 -2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.592 -2.293 -2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.056 -2.720 -3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.963 -4.453 -2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.222 -4.625 -1.984 1.00 0.00 H new ATOM 0 HE ARG A 63 0.759 -4.752 -4.716 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.763 -6.513 -1.816 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.068 -8.015 -2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.150 -6.700 -5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.724 -8.120 -4.951 1.00 0.00 H new ATOM 716 N GLN A 64 3.808 0.168 -5.073 1.00 0.00 N ATOM 717 CA GLN A 64 5.072 0.802 -5.418 1.00 0.00 C ATOM 718 C GLN A 64 5.159 2.180 -4.767 1.00 0.00 C ATOM 719 O GLN A 64 6.213 2.572 -4.273 1.00 0.00 O ATOM 720 CB GLN A 64 5.232 0.920 -6.934 1.00 0.00 C ATOM 721 CG GLN A 64 5.141 -0.410 -7.665 1.00 0.00 C ATOM 722 CD GLN A 64 5.464 -0.288 -9.141 1.00 0.00 C ATOM 723 OE1 GLN A 64 6.613 -0.456 -9.555 1.00 0.00 O ATOM 724 NE2 GLN A 64 4.458 0.018 -9.947 1.00 0.00 N ATOM 0 H GLN A 64 3.185 0.004 -5.864 1.00 0.00 H new ATOM 0 HA GLN A 64 5.883 0.178 -5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.464 1.590 -7.320 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.196 1.380 -7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.827 -1.121 -7.204 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.136 -0.816 -7.549 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.521 0.149 -9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.621 0.122 -10.949 1.00 0.00 H new ATOM 733 N LYS A 65 4.034 2.895 -4.751 1.00 0.00 N ATOM 734 CA LYS A 65 3.955 4.194 -4.087 1.00 0.00 C ATOM 735 C LYS A 65 4.277 4.051 -2.605 1.00 0.00 C ATOM 736 O LYS A 65 5.021 4.856 -2.043 1.00 0.00 O ATOM 737 CB LYS A 65 2.565 4.806 -4.261 1.00 0.00 C ATOM 738 CG LYS A 65 2.385 6.139 -3.547 1.00 0.00 C ATOM 739 CD LYS A 65 2.989 7.296 -4.326 1.00 0.00 C ATOM 740 CE LYS A 65 4.436 7.496 -3.937 1.00 0.00 C ATOM 741 NZ LYS A 65 5.114 8.550 -4.736 1.00 0.00 N ATOM 0 H LYS A 65 3.164 2.595 -5.191 1.00 0.00 H new ATOM 0 HA LYS A 65 4.688 4.857 -4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.370 4.945 -5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.820 4.102 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.322 6.324 -3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.848 6.086 -2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.917 7.099 -5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.424 8.208 -4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.489 7.759 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.972 6.555 -4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.910 8.940 -4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.469 8.139 -5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.438 9.310 -4.953 1.00 0.00 H new ATOM 755 N VAL A 66 3.714 3.018 -1.990 1.00 0.00 N ATOM 756 CA VAL A 66 4.014 2.684 -0.604 1.00 0.00 C ATOM 757 C VAL A 66 5.520 2.564 -0.389 1.00 0.00 C ATOM 758 O VAL A 66 6.064 3.098 0.580 1.00 0.00 O ATOM 759 CB VAL A 66 3.306 1.372 -0.186 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.987 0.742 1.019 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.837 1.641 0.107 1.00 0.00 C ATOM 0 H VAL A 66 3.042 2.393 -2.434 1.00 0.00 H new ATOM 0 HA VAL A 66 3.638 3.492 0.023 1.00 0.00 H new ATOM 0 HB VAL A 66 3.376 0.666 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.469 -0.178 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.024 0.515 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.957 1.437 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.348 0.712 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.754 2.366 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.355 2.039 -0.786 1.00 0.00 H new ATOM 771 N TYR A 67 6.193 1.898 -1.315 1.00 0.00 N ATOM 772 CA TYR A 67 7.627 1.701 -1.212 1.00 0.00 C ATOM 773 C TYR A 67 8.373 3.024 -1.411 1.00 0.00 C ATOM 774 O TYR A 67 9.316 3.328 -0.678 1.00 0.00 O ATOM 775 CB TYR A 67 8.094 0.651 -2.226 1.00 0.00 C ATOM 776 CG TYR A 67 9.582 0.381 -2.190 1.00 0.00 C ATOM 777 CD1 TYR A 67 10.195 -0.085 -1.035 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.373 0.595 -3.313 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.555 -0.333 -0.999 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.731 0.347 -3.285 1.00 0.00 C ATOM 781 CZ TYR A 67 12.319 -0.117 -2.124 1.00 0.00 C ATOM 782 OH TYR A 67 13.676 -0.354 -2.098 1.00 0.00 O ATOM 0 H TYR A 67 5.767 1.486 -2.145 1.00 0.00 H new ATOM 0 HA TYR A 67 7.855 1.336 -0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.561 -0.281 -2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.819 0.981 -3.228 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.600 -0.257 -0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.918 0.961 -4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 67 12.016 -0.695 -0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.331 0.515 -4.167 1.00 0.00 H new ATOM 0 HH TYR A 67 14.060 -0.151 -2.976 1.00 0.00 H new ATOM 792 N GLU A 68 7.945 3.811 -2.400 1.00 0.00 N ATOM 793 CA GLU A 68 8.535 5.126 -2.641 1.00 0.00 C ATOM 794 C GLU A 68 8.409 6.010 -1.406 1.00 0.00 C ATOM 795 O GLU A 68 9.390 6.576 -0.933 1.00 0.00 O ATOM 796 CB GLU A 68 7.844 5.827 -3.812 1.00 0.00 C ATOM 797 CG GLU A 68 7.825 5.025 -5.096 1.00 0.00 C ATOM 798 CD GLU A 68 7.239 5.819 -6.245 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.007 5.787 -6.429 1.00 0.00 O ATOM 800 OE2 GLU A 68 8.013 6.463 -6.984 1.00 0.00 O ATOM 0 H GLU A 68 7.195 3.561 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 68 9.588 4.971 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.818 6.059 -3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.345 6.777 -3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.840 4.717 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.243 4.115 -4.948 1.00 0.00 H new ATOM 807 N LEU A 69 7.200 6.090 -0.872 1.00 0.00 N ATOM 808 CA LEU A 69 6.905 6.942 0.276 1.00 0.00 C ATOM 809 C LEU A 69 7.754 6.563 1.489 1.00 0.00 C ATOM 810 O LEU A 69 8.076 7.415 2.320 1.00 0.00 O ATOM 811 CB LEU A 69 5.417 6.857 0.603 1.00 0.00 C ATOM 812 CG LEU A 69 4.495 7.499 -0.434 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.049 7.347 -0.020 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.826 8.970 -0.600 1.00 0.00 C ATOM 0 H LEU A 69 6.395 5.568 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 69 7.157 7.971 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.143 5.808 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.243 7.334 1.568 1.00 0.00 H new ATOM 0 HG LEU A 69 4.648 6.991 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.406 7.809 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.804 6.288 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.893 7.834 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.160 9.411 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.697 9.482 0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.859 9.075 -0.931 1.00 0.00 H new ATOM 826 N MET A 70 8.127 5.291 1.583 1.00 0.00 N ATOM 827 CA MET A 70 9.028 4.841 2.645 1.00 0.00 C ATOM 828 C MET A 70 10.346 5.604 2.585 1.00 0.00 C ATOM 829 O MET A 70 10.766 6.218 3.568 1.00 0.00 O ATOM 830 CB MET A 70 9.333 3.345 2.528 1.00 0.00 C ATOM 831 CG MET A 70 8.158 2.429 2.808 1.00 0.00 C ATOM 832 SD MET A 70 8.628 0.692 2.755 1.00 0.00 S ATOM 833 CE MET A 70 7.029 -0.069 2.986 1.00 0.00 C ATOM 0 H MET A 70 7.824 4.556 0.944 1.00 0.00 H new ATOM 0 HA MET A 70 8.523 5.031 3.592 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.701 3.142 1.522 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.139 3.099 3.219 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.742 2.662 3.788 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.372 2.614 2.076 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.983 -0.999 2.419 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.876 -0.281 4.044 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.250 0.608 2.636 1.00 0.00 H new ATOM 843 N GLN A 71 10.983 5.578 1.421 1.00 0.00 N ATOM 844 CA GLN A 71 12.273 6.226 1.238 1.00 0.00 C ATOM 845 C GLN A 71 12.115 7.736 1.081 1.00 0.00 C ATOM 846 O GLN A 71 13.073 8.488 1.256 1.00 0.00 O ATOM 847 CB GLN A 71 13.014 5.623 0.040 1.00 0.00 C ATOM 848 CG GLN A 71 12.121 5.349 -1.161 1.00 0.00 C ATOM 849 CD GLN A 71 12.887 4.845 -2.370 1.00 0.00 C ATOM 850 OE1 GLN A 71 12.368 4.067 -3.168 1.00 0.00 O ATOM 851 NE2 GLN A 71 14.117 5.298 -2.524 1.00 0.00 N ATOM 0 H GLN A 71 10.624 5.113 0.587 1.00 0.00 H new ATOM 0 HA GLN A 71 12.870 6.049 2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.812 6.302 -0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.487 4.691 0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.366 4.613 -0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.592 6.264 -1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.512 5.943 -1.840 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.672 5.003 -3.327 1.00 0.00 H new ATOM 860 N GLU A 72 10.903 8.175 0.759 1.00 0.00 N ATOM 861 CA GLU A 72 10.609 9.602 0.717 1.00 0.00 C ATOM 862 C GLU A 72 10.638 10.178 2.127 1.00 0.00 C ATOM 863 O GLU A 72 10.965 11.347 2.330 1.00 0.00 O ATOM 864 CB GLU A 72 9.248 9.889 0.070 1.00 0.00 C ATOM 865 CG GLU A 72 9.167 9.510 -1.400 1.00 0.00 C ATOM 866 CD GLU A 72 7.904 10.016 -2.072 1.00 0.00 C ATOM 867 OE1 GLU A 72 7.581 11.217 -1.933 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.216 9.204 -2.728 1.00 0.00 O ATOM 0 H GLU A 72 10.116 7.570 0.525 1.00 0.00 H new ATOM 0 HA GLU A 72 11.375 10.078 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.476 9.347 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.026 10.951 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.036 9.911 -1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.212 8.425 -1.493 1.00 0.00 H new ATOM 875 N GLY A 73 10.294 9.343 3.097 1.00 0.00 N ATOM 876 CA GLY A 73 10.342 9.756 4.481 1.00 0.00 C ATOM 877 C GLY A 73 8.974 10.125 4.997 1.00 0.00 C ATOM 878 O GLY A 73 8.826 11.038 5.809 1.00 0.00 O ATOM 0 H GLY A 73 9.982 8.384 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.755 8.950 5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.013 10.609 4.584 1.00 0.00 H new ATOM 882 N LYS A 74 7.967 9.422 4.509 1.00 0.00 N ATOM 883 CA LYS A 74 6.595 9.685 4.900 1.00 0.00 C ATOM 884 C LYS A 74 6.257 8.947 6.190 1.00 0.00 C ATOM 885 O LYS A 74 6.932 7.990 6.571 1.00 0.00 O ATOM 886 CB LYS A 74 5.643 9.234 3.794 1.00 0.00 C ATOM 887 CG LYS A 74 6.048 9.706 2.407 1.00 0.00 C ATOM 888 CD LYS A 74 5.766 11.181 2.219 1.00 0.00 C ATOM 889 CE LYS A 74 6.485 11.736 1.010 1.00 0.00 C ATOM 890 NZ LYS A 74 6.350 13.214 0.913 1.00 0.00 N ATOM 0 H LYS A 74 8.076 8.661 3.838 1.00 0.00 H new ATOM 0 HA LYS A 74 6.483 10.757 5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.588 8.145 3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.642 9.604 4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.110 9.515 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.508 9.132 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.693 11.335 2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.076 11.728 3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.541 11.471 1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.085 11.275 0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.857 13.554 0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.344 13.466 0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.755 13.656 1.763 1.00 0.00 H new ATOM 904 N SER A 75 5.207 9.397 6.848 1.00 0.00 N ATOM 905 CA SER A 75 4.711 8.743 8.048 1.00 0.00 C ATOM 906 C SER A 75 3.635 7.736 7.657 1.00 0.00 C ATOM 907 O SER A 75 3.182 7.748 6.520 1.00 0.00 O ATOM 908 CB SER A 75 4.152 9.779 9.019 1.00 0.00 C ATOM 909 OG SER A 75 5.114 10.781 9.307 1.00 0.00 O ATOM 0 H SER A 75 4.675 10.221 6.570 1.00 0.00 H new ATOM 0 HA SER A 75 5.528 8.220 8.546 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.261 10.238 8.592 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.846 9.288 9.943 1.00 0.00 H new ATOM 0 HG SER A 75 4.731 11.433 9.930 1.00 0.00 H new ATOM 915 N LYS A 76 3.222 6.879 8.581 1.00 0.00 N ATOM 916 CA LYS A 76 2.280 5.805 8.260 1.00 0.00 C ATOM 917 C LYS A 76 0.994 6.352 7.654 1.00 0.00 C ATOM 918 O LYS A 76 0.599 5.956 6.555 1.00 0.00 O ATOM 919 CB LYS A 76 1.981 4.964 9.498 1.00 0.00 C ATOM 920 CG LYS A 76 2.932 3.783 9.691 1.00 0.00 C ATOM 921 CD LYS A 76 4.378 4.211 9.924 1.00 0.00 C ATOM 922 CE LYS A 76 5.130 4.435 8.621 1.00 0.00 C ATOM 923 NZ LYS A 76 6.538 4.850 8.856 1.00 0.00 N ATOM 0 H LYS A 76 3.520 6.903 9.556 1.00 0.00 H new ATOM 0 HA LYS A 76 2.749 5.165 7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.029 5.604 10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.960 4.588 9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.595 3.187 10.539 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.887 3.140 8.812 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.393 5.129 10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.890 3.448 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.116 3.518 8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.620 5.199 8.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.025 4.959 7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.552 5.756 9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.024 4.125 9.423 1.00 0.00 H new ATOM 937 N LYS A 77 0.358 7.277 8.358 1.00 0.00 N ATOM 938 CA LYS A 77 -0.846 7.922 7.852 1.00 0.00 C ATOM 939 C LYS A 77 -0.506 8.781 6.652 1.00 0.00 C ATOM 940 O LYS A 77 -1.292 8.911 5.729 1.00 0.00 O ATOM 941 CB LYS A 77 -1.489 8.782 8.935 1.00 0.00 C ATOM 942 CG LYS A 77 -1.661 8.049 10.245 1.00 0.00 C ATOM 943 CD LYS A 77 -2.447 6.767 10.048 1.00 0.00 C ATOM 944 CE LYS A 77 -2.765 6.086 11.367 1.00 0.00 C ATOM 945 NZ LYS A 77 -3.722 4.961 11.190 1.00 0.00 N ATOM 0 H LYS A 77 0.654 7.598 9.280 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.554 7.148 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.877 9.669 9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.463 9.127 8.587 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.683 7.820 10.669 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.176 8.690 10.960 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.375 6.988 9.521 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.877 6.086 9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.844 5.713 11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.185 6.815 12.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.889 4.499 12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.622 5.326 10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.326 4.270 10.522 1.00 0.00 H new ATOM 959 N GLU A 78 0.679 9.359 6.679 1.00 0.00 N ATOM 960 CA GLU A 78 1.150 10.196 5.582 1.00 0.00 C ATOM 961 C GLU A 78 1.273 9.392 4.286 1.00 0.00 C ATOM 962 O GLU A 78 0.960 9.898 3.211 1.00 0.00 O ATOM 963 CB GLU A 78 2.483 10.843 5.951 1.00 0.00 C ATOM 964 CG GLU A 78 3.080 11.714 4.860 1.00 0.00 C ATOM 965 CD GLU A 78 2.202 12.898 4.511 1.00 0.00 C ATOM 966 OE1 GLU A 78 1.801 13.635 5.431 1.00 0.00 O ATOM 967 OE2 GLU A 78 1.896 13.087 3.314 1.00 0.00 O ATOM 0 H GLU A 78 1.339 9.266 7.451 1.00 0.00 H new ATOM 0 HA GLU A 78 0.416 10.983 5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.344 11.448 6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.196 10.059 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.057 12.074 5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.241 11.111 3.967 1.00 0.00 H new ATOM 974 N ILE A 79 1.721 8.139 4.385 1.00 0.00 N ATOM 975 CA ILE A 79 1.797 7.274 3.214 1.00 0.00 C ATOM 976 C ILE A 79 0.404 7.063 2.629 1.00 0.00 C ATOM 977 O ILE A 79 0.173 7.309 1.448 1.00 0.00 O ATOM 978 CB ILE A 79 2.440 5.886 3.517 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.959 5.931 3.350 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.872 4.814 2.598 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.736 5.982 4.646 1.00 0.00 C ATOM 0 H ILE A 79 2.033 7.707 5.255 1.00 0.00 H new ATOM 0 HA ILE A 79 2.442 7.782 2.497 1.00 0.00 H new ATOM 0 HB ILE A 79 2.203 5.641 4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.275 5.053 2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.219 6.804 2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.335 3.855 2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.795 4.741 2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.079 5.077 1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.804 6.012 4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.454 6.875 5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.511 5.096 5.240 1.00 0.00 H new ATOM 993 N VAL A 80 -0.532 6.639 3.469 1.00 0.00 N ATOM 994 CA VAL A 80 -1.878 6.343 3.002 1.00 0.00 C ATOM 995 C VAL A 80 -2.618 7.625 2.610 1.00 0.00 C ATOM 996 O VAL A 80 -3.410 7.632 1.665 1.00 0.00 O ATOM 997 CB VAL A 80 -2.688 5.529 4.038 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.655 6.181 5.407 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.117 5.354 3.574 1.00 0.00 C ATOM 0 H VAL A 80 -0.385 6.494 4.468 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.779 5.721 2.113 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.222 4.548 4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.234 5.582 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.624 6.249 5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.083 7.181 5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.672 4.779 4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.582 6.332 3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.128 4.825 2.621 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.343 8.711 3.319 1.00 0.00 N ATOM 1010 CA ASP A 81 -2.913 10.010 2.987 1.00 0.00 C ATOM 1011 C ASP A 81 -2.402 10.467 1.629 1.00 0.00 C ATOM 1012 O ASP A 81 -3.123 11.096 0.857 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.563 11.041 4.058 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.230 12.377 3.813 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.448 12.501 4.064 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -2.542 13.306 3.347 1.00 0.00 O ATOM 0 H ASP A 81 -1.726 8.718 4.131 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.998 9.915 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.863 10.662 5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.482 11.178 4.087 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.153 10.121 1.343 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.551 10.399 0.049 1.00 0.00 C ATOM 1023 C TYR A 82 -1.280 9.604 -1.021 1.00 0.00 C ATOM 1024 O TYR A 82 -1.578 10.111 -2.107 1.00 0.00 O ATOM 1025 CB TYR A 82 0.925 9.997 0.040 1.00 0.00 C ATOM 1026 CG TYR A 82 1.740 10.688 -1.031 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.783 10.192 -2.328 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.474 11.831 -0.741 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.533 10.814 -3.305 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.230 12.459 -1.715 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.255 11.946 -2.995 1.00 0.00 C ATOM 1032 OH TYR A 82 4.007 12.565 -3.968 1.00 0.00 O ATOM 0 H TYR A 82 -0.534 9.643 1.998 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.629 11.468 -0.148 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.359 10.221 1.015 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.997 8.919 -0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.220 9.304 -2.576 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.454 12.236 0.260 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.554 10.415 -4.308 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.797 13.346 -1.474 1.00 0.00 H new ATOM 0 HH TYR A 82 4.454 13.349 -3.587 1.00 0.00 H new ATOM 1042 N MET A 83 -1.554 8.347 -0.686 1.00 0.00 N ATOM 1043 CA MET A 83 -2.260 7.437 -1.572 1.00 0.00 C ATOM 1044 C MET A 83 -3.603 8.013 -1.967 1.00 0.00 C ATOM 1045 O MET A 83 -3.884 8.172 -3.142 1.00 0.00 O ATOM 1046 CB MET A 83 -2.478 6.086 -0.888 1.00 0.00 C ATOM 1047 CG MET A 83 -1.196 5.380 -0.492 1.00 0.00 C ATOM 1048 SD MET A 83 -0.248 4.811 -1.911 1.00 0.00 S ATOM 1049 CE MET A 83 -1.405 3.660 -2.641 1.00 0.00 C ATOM 0 H MET A 83 -1.291 7.933 0.209 1.00 0.00 H new ATOM 0 HA MET A 83 -1.650 7.298 -2.465 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.088 6.236 0.003 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.045 5.439 -1.557 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.582 6.057 0.102 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.437 4.528 0.144 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.912 2.701 -2.801 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.255 3.525 -1.972 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.754 4.052 -3.596 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.428 8.338 -0.982 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.772 8.848 -1.259 1.00 0.00 C ATOM 1061 C VAL A 84 -5.708 10.192 -1.976 1.00 0.00 C ATOM 1062 O VAL A 84 -6.584 10.532 -2.768 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.630 8.986 0.025 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.498 7.747 0.892 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -6.285 10.247 0.811 1.00 0.00 C ATOM 0 H VAL A 84 -4.198 8.260 0.009 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.252 8.113 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.671 9.080 -0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.108 7.863 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.837 6.874 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.455 7.612 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.910 10.303 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.236 10.217 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.462 11.124 0.188 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.656 10.946 -1.693 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.479 12.256 -2.282 1.00 0.00 C ATOM 1077 C ALA A 85 -4.325 12.157 -3.799 1.00 0.00 C ATOM 1078 O ALA A 85 -4.959 12.899 -4.549 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.270 12.938 -1.663 1.00 0.00 C ATOM 0 H ALA A 85 -3.911 10.667 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.367 12.854 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.140 13.924 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.422 13.043 -0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.380 12.337 -1.846 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.492 11.225 -4.243 1.00 0.00 N ATOM 1086 CA ARG A 86 -3.200 11.068 -5.666 1.00 0.00 C ATOM 1087 C ARG A 86 -4.048 9.966 -6.298 1.00 0.00 C ATOM 1088 O ARG A 86 -4.616 10.142 -7.374 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.714 10.751 -5.872 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.805 11.972 -5.876 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.630 12.547 -4.481 1.00 0.00 C ATOM 1092 NE ARG A 86 0.190 13.759 -4.483 1.00 0.00 N ATOM 1093 CZ ARG A 86 0.458 14.484 -3.399 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -0.021 14.123 -2.212 1.00 0.00 N ATOM 1095 NH2 ARG A 86 1.205 15.575 -3.504 1.00 0.00 N ATOM 0 H ARG A 86 -3.004 10.564 -3.638 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.446 12.011 -6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.387 10.072 -5.084 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.596 10.222 -6.818 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.169 11.699 -6.282 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.222 12.734 -6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.609 12.773 -4.057 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.169 11.799 -3.836 1.00 0.00 H new ATOM 0 HE ARG A 86 0.582 14.068 -5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.598 13.286 -2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.188 14.683 -1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.572 15.856 -4.413 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.412 16.133 -2.676 1.00 0.00 H new ATOM 1109 N TYR A 87 -4.145 8.845 -5.607 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.771 7.643 -6.139 1.00 0.00 C ATOM 1111 C TYR A 87 -6.164 7.441 -5.544 1.00 0.00 C ATOM 1112 O TYR A 87 -6.652 6.314 -5.447 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.884 6.433 -5.826 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.440 6.608 -6.263 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -2.098 6.630 -7.608 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.420 6.761 -5.324 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.783 6.797 -8.008 1.00 0.00 C ATOM 1118 CE2 TYR A 87 -0.102 6.930 -5.721 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.209 6.946 -7.062 1.00 0.00 C ATOM 1120 OH TYR A 87 1.518 7.117 -7.459 1.00 0.00 O ATOM 0 H TYR A 87 -3.791 8.740 -4.656 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.880 7.751 -7.218 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.910 6.242 -4.753 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.299 5.552 -6.316 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.870 6.515 -8.355 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.660 6.748 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.535 6.811 -9.059 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.677 7.048 -4.982 1.00 0.00 H new ATOM 0 HH TYR A 87 1.852 7.975 -7.124 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.819 8.538 -5.185 1.00 0.00 N ATOM 1131 CA GLY A 88 -8.104 8.461 -4.501 1.00 0.00 C ATOM 1132 C GLY A 88 -9.263 8.089 -5.414 1.00 0.00 C ATOM 1133 O GLY A 88 -10.420 8.322 -5.083 1.00 0.00 O ATOM 0 H GLY A 88 -6.484 9.486 -5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.035 7.726 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.315 9.423 -4.034 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.955 7.527 -6.574 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.983 7.022 -7.477 1.00 0.00 C ATOM 1139 C ASN A 89 -10.051 5.506 -7.397 1.00 0.00 C ATOM 1140 O ASN A 89 -10.729 4.853 -8.189 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.722 7.471 -8.918 1.00 0.00 C ATOM 1142 CG ASN A 89 -10.278 8.854 -9.208 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -10.647 9.160 -10.338 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -10.354 9.693 -8.191 1.00 0.00 N ATOM 0 H ASN A 89 -8.001 7.408 -6.914 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.942 7.436 -7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.648 7.468 -9.107 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.169 6.752 -9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.729 10.631 -8.331 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.037 9.403 -7.266 1.00 0.00 H new ATOM 1151 N PHE A 90 -9.324 4.956 -6.438 1.00 0.00 N ATOM 1152 CA PHE A 90 -9.346 3.531 -6.172 1.00 0.00 C ATOM 1153 C PHE A 90 -9.028 3.283 -4.704 1.00 0.00 C ATOM 1154 O PHE A 90 -9.561 2.362 -4.088 1.00 0.00 O ATOM 1155 CB PHE A 90 -8.338 2.800 -7.071 1.00 0.00 C ATOM 1156 CG PHE A 90 -8.340 1.306 -6.896 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -7.519 0.707 -5.954 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -9.162 0.503 -7.673 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -7.517 -0.666 -5.788 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -9.163 -0.870 -7.512 1.00 0.00 C ATOM 1161 CZ PHE A 90 -8.340 -1.455 -6.568 1.00 0.00 C ATOM 0 H PHE A 90 -8.704 5.485 -5.825 1.00 0.00 H new ATOM 0 HA PHE A 90 -10.340 3.143 -6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.557 3.035 -8.113 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.338 3.179 -6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.873 1.319 -5.342 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -9.808 0.955 -8.411 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -6.873 -1.121 -5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -9.806 -1.485 -8.123 1.00 0.00 H new ATOM 0 HZ PHE A 90 -8.340 -2.527 -6.440 1.00 0.00 H new ATOM 1171 N VAL A 91 -8.160 4.119 -4.148 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.765 3.983 -2.758 1.00 0.00 C ATOM 1173 C VAL A 91 -8.583 4.934 -1.885 1.00 0.00 C ATOM 1174 O VAL A 91 -9.141 5.917 -2.375 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.252 4.265 -2.559 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.475 4.031 -3.841 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -6.011 5.677 -2.067 1.00 0.00 C ATOM 0 H VAL A 91 -7.719 4.896 -4.640 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.957 2.952 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.897 3.567 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.419 4.237 -3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.596 2.994 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.851 4.693 -4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.941 5.840 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.401 6.388 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.517 5.821 -1.112 1.00 0.00 H new ATOM 1187 N THR A 92 -8.658 4.625 -0.604 1.00 0.00 N ATOM 1188 CA THR A 92 -9.335 5.472 0.364 1.00 0.00 C ATOM 1189 C THR A 92 -8.810 5.174 1.768 1.00 0.00 C ATOM 1190 O THR A 92 -8.536 4.026 2.090 1.00 0.00 O ATOM 1191 CB THR A 92 -10.862 5.244 0.314 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.394 5.736 -0.924 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.559 5.921 1.483 1.00 0.00 C ATOM 0 H THR A 92 -8.252 3.780 -0.204 1.00 0.00 H new ATOM 0 HA THR A 92 -9.133 6.514 0.116 1.00 0.00 H new ATOM 0 HB THR A 92 -11.044 4.172 0.385 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.668 6.109 -1.467 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.632 5.742 1.420 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.178 5.513 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.367 6.993 1.449 1.00 0.00 H new ATOM 1201 N TYR A 93 -8.635 6.195 2.595 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.208 5.963 3.965 1.00 0.00 C ATOM 1203 C TYR A 93 -9.424 5.883 4.872 1.00 0.00 C ATOM 1204 O TYR A 93 -10.035 6.898 5.202 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.257 7.066 4.437 1.00 0.00 C ATOM 1206 CG TYR A 93 -6.866 6.935 5.896 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.134 5.841 6.342 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -7.233 7.901 6.823 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -5.779 5.713 7.671 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -6.881 7.780 8.155 1.00 0.00 C ATOM 1211 CZ TYR A 93 -6.153 6.684 8.574 1.00 0.00 C ATOM 1212 OH TYR A 93 -5.801 6.561 9.903 1.00 0.00 O ATOM 0 H TYR A 93 -8.779 7.174 2.347 1.00 0.00 H new ATOM 0 HA TYR A 93 -7.667 5.017 4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.356 7.047 3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.729 8.036 4.280 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.838 5.078 5.638 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.802 8.760 6.499 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.211 4.856 8.001 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.174 8.540 8.865 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.142 7.331 10.404 1.00 0.00 H new ATOM 1222 N ASP A 94 -9.767 4.666 5.258 1.00 0.00 N ATOM 1223 CA ASP A 94 -10.941 4.405 6.076 1.00 0.00 C ATOM 1224 C ASP A 94 -10.830 3.040 6.734 1.00 0.00 C ATOM 1225 O ASP A 94 -10.038 2.205 6.295 1.00 0.00 O ATOM 1226 CB ASP A 94 -12.210 4.457 5.225 1.00 0.00 C ATOM 1227 CG ASP A 94 -12.915 5.796 5.295 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -13.038 6.348 6.408 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -13.331 6.314 4.237 1.00 0.00 O ATOM 0 H ASP A 94 -9.239 3.829 5.013 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.997 5.174 6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.954 4.241 4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -12.894 3.675 5.554 1.00 0.00 H new ATOM 1234 N PRO A 95 -11.600 2.798 7.803 1.00 0.00 N ATOM 1235 CA PRO A 95 -11.725 1.464 8.393 1.00 0.00 C ATOM 1236 C PRO A 95 -12.251 0.459 7.365 1.00 0.00 C ATOM 1237 O PRO A 95 -13.002 0.824 6.455 1.00 0.00 O ATOM 1238 CB PRO A 95 -12.738 1.660 9.532 1.00 0.00 C ATOM 1239 CG PRO A 95 -13.418 2.954 9.239 1.00 0.00 C ATOM 1240 CD PRO A 95 -12.404 3.797 8.524 1.00 0.00 C ATOM 0 HA PRO A 95 -10.771 1.067 8.740 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.454 0.839 9.566 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.239 1.689 10.501 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.303 2.799 8.622 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.751 3.438 10.158 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.875 4.505 7.843 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.798 4.378 9.219 1.00 0.00 H new ATOM 1248 N PRO A 96 -11.863 -0.821 7.485 1.00 0.00 N ATOM 1249 CA PRO A 96 -12.258 -1.847 6.534 1.00 0.00 C ATOM 1250 C PRO A 96 -13.700 -2.300 6.745 1.00 0.00 C ATOM 1251 O PRO A 96 -14.458 -1.677 7.485 1.00 0.00 O ATOM 1252 CB PRO A 96 -11.281 -3.003 6.794 1.00 0.00 C ATOM 1253 CG PRO A 96 -10.440 -2.613 7.967 1.00 0.00 C ATOM 1254 CD PRO A 96 -11.033 -1.369 8.564 1.00 0.00 C ATOM 0 HA PRO A 96 -12.219 -1.480 5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.823 -3.926 6.999 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.659 -3.186 5.918 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.416 -3.416 8.704 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.411 -2.434 7.656 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -11.627 -1.595 9.450 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.259 -0.665 8.870 1.00 0.00 H new ATOM 1262 N LEU A 97 -14.065 -3.403 6.104 1.00 0.00 N ATOM 1263 CA LEU A 97 -15.426 -3.937 6.181 1.00 0.00 C ATOM 1264 C LEU A 97 -15.642 -4.686 7.485 1.00 0.00 C ATOM 1265 O LEU A 97 -16.615 -5.427 7.636 1.00 0.00 O ATOM 1266 CB LEU A 97 -15.698 -4.878 5.010 1.00 0.00 C ATOM 1267 CG LEU A 97 -15.936 -4.215 3.642 1.00 0.00 C ATOM 1268 CD1 LEU A 97 -17.112 -3.248 3.713 1.00 0.00 C ATOM 1269 CD2 LEU A 97 -14.690 -3.496 3.142 1.00 0.00 C ATOM 0 H LEU A 97 -13.434 -3.952 5.519 1.00 0.00 H new ATOM 0 HA LEU A 97 -16.116 -3.094 6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.853 -5.561 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -16.571 -5.483 5.253 1.00 0.00 H new ATOM 0 HG LEU A 97 -16.172 -5.006 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -17.265 -2.789 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -18.012 -3.790 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.901 -2.473 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -14.897 -3.040 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.406 -2.721 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.874 -4.211 3.040 1.00 0.00 H new ATOM 1281 N THR A 98 -14.708 -4.506 8.401 1.00 0.00 N ATOM 1282 CA THR A 98 -14.764 -5.124 9.713 1.00 0.00 C ATOM 1283 C THR A 98 -16.118 -4.871 10.392 1.00 0.00 C ATOM 1284 O THR A 98 -16.571 -3.730 10.500 1.00 0.00 O ATOM 1285 CB THR A 98 -13.610 -4.611 10.612 1.00 0.00 C ATOM 1286 OG1 THR A 98 -13.699 -5.192 11.917 1.00 0.00 O ATOM 1287 CG2 THR A 98 -13.625 -3.095 10.730 1.00 0.00 C ATOM 0 H THR A 98 -13.884 -3.923 8.254 1.00 0.00 H new ATOM 0 HA THR A 98 -14.649 -6.199 9.575 1.00 0.00 H new ATOM 0 HB THR A 98 -12.673 -4.909 10.142 1.00 0.00 H new ATOM 0 HG1 THR A 98 -12.963 -4.861 12.473 1.00 0.00 H new ATOM 0 HG21 THR A 98 -12.802 -2.772 11.367 1.00 0.00 H new ATOM 0 HG22 THR A 98 -13.513 -2.652 9.740 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.570 -2.773 11.167 1.00 0.00 H new ATOM 1295 N PRO A 99 -16.791 -5.944 10.824 1.00 0.00 N ATOM 1296 CA PRO A 99 -18.082 -5.848 11.505 1.00 0.00 C ATOM 1297 C PRO A 99 -17.974 -5.114 12.836 1.00 0.00 C ATOM 1298 O PRO A 99 -18.517 -3.999 12.949 1.00 0.00 O ATOM 1299 CB PRO A 99 -18.494 -7.307 11.718 1.00 0.00 C ATOM 1300 CG PRO A 99 -17.231 -8.089 11.618 1.00 0.00 C ATOM 1301 CD PRO A 99 -16.345 -7.336 10.672 1.00 0.00 C ATOM 0 HA PRO A 99 -18.808 -5.278 10.925 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -18.966 -7.445 12.691 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -19.215 -7.626 10.966 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -16.759 -8.192 12.595 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -17.425 -9.097 11.250 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -15.292 -7.451 10.930 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -16.462 -7.686 9.646 1.00 0.00 H new TER 1309 PRO A 99