USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 580 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 11 GLN : amide:sc= 0.79 K(o=1.8,f=0.64) USER MOD Set 1.2: A 45 THR OG1 : rot -55:sc= 0.98 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -1.22 X(o=-1.2,f=-0.99) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -177:sc= 0 (180deg=-0.0064) USER MOD Single : A 13 SER OG : rot 180:sc= -0.108 USER MOD Single : A 15 MET CE :methyl -177:sc= 0 (180deg=-0.0248) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -154:sc= -0.605 (180deg=-1.12) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.0016) USER MOD Single : A 40 ASN : amide:sc= -0.555 K(o=-0.56,f=-2) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.688 K(o=0.69,f=0) USER MOD Single : A 50 TYR OH : rot -30:sc= -0.0131 USER MOD Single : A 55 THR OG1 : rot 90:sc= 0.914 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.11) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.683 K(o=0.68,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.474 18.489 16.504 1.00 6.08 N ATOM 2 CA MET A 1 -3.171 18.487 17.192 1.00 4.72 C ATOM 3 C MET A 1 -2.061 18.439 16.143 1.00 3.03 C ATOM 4 O MET A 1 -1.707 19.485 15.613 1.00 3.34 O ATOM 5 CB MET A 1 -3.071 17.360 18.232 1.00 5.50 C ATOM 6 CG MET A 1 -3.856 17.680 19.511 1.00 7.00 C ATOM 7 SD MET A 1 -3.747 16.392 20.779 1.00 8.44 S ATOM 8 CE MET A 1 -4.640 17.197 22.127 1.00 9.78 C ATOM 0 H1 MET A 1 -5.238 18.522 17.208 1.00 6.08 H new ATOM 0 H2 MET A 1 -4.538 19.322 15.885 1.00 6.08 H new ATOM 0 H3 MET A 1 -4.566 17.625 15.933 1.00 6.08 H new ATOM 0 HA MET A 1 -3.059 19.407 17.766 1.00 4.72 H new ATOM 0 HB2 MET A 1 -3.448 16.434 17.799 1.00 5.50 H new ATOM 0 HB3 MET A 1 -2.024 17.192 18.483 1.00 5.50 H new ATOM 0 HG2 MET A 1 -3.488 18.618 19.927 1.00 7.00 H new ATOM 0 HG3 MET A 1 -4.904 17.835 19.254 1.00 7.00 H new ATOM 0 HE1 MET A 1 -4.666 16.535 22.992 1.00 9.78 H new ATOM 0 HE2 MET A 1 -4.135 18.125 22.395 1.00 9.78 H new ATOM 0 HE3 MET A 1 -5.659 17.418 21.808 1.00 9.78 H new ATOM 20 N LEU A 2 -1.572 17.248 15.799 1.00 2.30 N ATOM 21 CA LEU A 2 -0.559 17.042 14.774 1.00 1.13 C ATOM 22 C LEU A 2 -0.761 15.654 14.178 1.00 1.27 C ATOM 23 O LEU A 2 -1.471 14.844 14.774 1.00 2.37 O ATOM 24 CB LEU A 2 0.857 17.204 15.358 1.00 2.26 C ATOM 25 CG LEU A 2 1.366 16.038 16.232 1.00 4.13 C ATOM 26 CD1 LEU A 2 2.834 16.291 16.595 1.00 5.29 C ATOM 27 CD2 LEU A 2 0.565 15.853 17.527 1.00 5.62 C ATOM 0 H LEU A 2 -1.879 16.380 16.239 1.00 2.30 H new ATOM 0 HA LEU A 2 -0.662 17.793 13.991 1.00 1.13 H new ATOM 0 HB2 LEU A 2 1.555 17.345 14.533 1.00 2.26 H new ATOM 0 HB3 LEU A 2 0.880 18.116 15.954 1.00 2.26 H new ATOM 0 HG LEU A 2 1.246 15.127 15.646 1.00 4.13 H new ATOM 0 HD11 LEU A 2 3.202 15.472 17.213 1.00 5.29 H new ATOM 0 HD12 LEU A 2 3.429 16.354 15.684 1.00 5.29 H new ATOM 0 HD13 LEU A 2 2.916 17.227 17.147 1.00 5.29 H new ATOM 0 HD21 LEU A 2 0.976 15.017 18.093 1.00 5.62 H new ATOM 0 HD22 LEU A 2 0.626 16.762 18.126 1.00 5.62 H new ATOM 0 HD23 LEU A 2 -0.478 15.649 17.284 1.00 5.62 H new ATOM 39 N SER A 3 -0.116 15.388 13.040 1.00 0.56 N ATOM 40 CA SER A 3 0.028 14.056 12.471 1.00 0.46 C ATOM 41 C SER A 3 1.521 13.860 12.227 1.00 0.46 C ATOM 42 O SER A 3 2.099 14.609 11.440 1.00 0.65 O ATOM 43 CB SER A 3 -0.773 13.936 11.162 1.00 0.56 C ATOM 44 OG SER A 3 -2.054 14.516 11.336 1.00 0.69 O ATOM 0 H SER A 3 0.330 16.114 12.479 1.00 0.56 H new ATOM 0 HA SER A 3 -0.361 13.289 13.141 1.00 0.46 H new ATOM 0 HB2 SER A 3 -0.243 14.436 10.352 1.00 0.56 H new ATOM 0 HB3 SER A 3 -0.872 12.888 10.879 1.00 0.56 H new ATOM 0 HG SER A 3 -2.563 14.441 10.502 1.00 0.69 H new ATOM 50 N GLU A 4 2.159 12.907 12.913 1.00 0.46 N ATOM 51 CA GLU A 4 3.464 12.434 12.477 1.00 0.45 C ATOM 52 C GLU A 4 3.263 11.625 11.197 1.00 0.47 C ATOM 53 O GLU A 4 2.127 11.354 10.819 1.00 0.64 O ATOM 54 CB GLU A 4 4.128 11.591 13.571 1.00 0.51 C ATOM 55 CG GLU A 4 5.122 12.369 14.416 1.00 0.62 C ATOM 56 CD GLU A 4 6.092 11.446 15.149 1.00 1.01 C ATOM 57 OE1 GLU A 4 6.860 10.751 14.445 1.00 2.10 O ATOM 58 OE2 GLU A 4 6.040 11.443 16.397 1.00 1.99 O ATOM 0 H GLU A 4 1.797 12.459 13.755 1.00 0.46 H new ATOM 0 HA GLU A 4 4.128 13.276 12.281 1.00 0.45 H new ATOM 0 HB2 GLU A 4 3.355 11.179 14.220 1.00 0.51 H new ATOM 0 HB3 GLU A 4 4.639 10.747 13.108 1.00 0.51 H new ATOM 0 HG2 GLU A 4 5.683 13.053 13.779 1.00 0.62 H new ATOM 0 HG3 GLU A 4 4.583 12.979 15.141 1.00 0.62 H new ATOM 65 N GLN A 5 4.357 11.206 10.560 1.00 0.43 N ATOM 66 CA GLN A 5 4.326 10.301 9.423 1.00 0.45 C ATOM 67 C GLN A 5 5.294 9.152 9.674 1.00 0.51 C ATOM 68 O GLN A 5 6.295 9.335 10.368 1.00 0.63 O ATOM 69 CB GLN A 5 4.729 11.032 8.144 1.00 0.47 C ATOM 70 CG GLN A 5 3.722 12.089 7.675 1.00 0.47 C ATOM 71 CD GLN A 5 3.378 11.859 6.207 1.00 0.68 C ATOM 72 OE1 GLN A 5 3.754 12.638 5.335 1.00 1.70 O ATOM 73 NE2 GLN A 5 2.714 10.747 5.918 1.00 0.53 N ATOM 0 H GLN A 5 5.299 11.492 10.827 1.00 0.43 H new ATOM 0 HA GLN A 5 3.312 9.919 9.302 1.00 0.45 H new ATOM 0 HB2 GLN A 5 5.694 11.513 8.303 1.00 0.47 H new ATOM 0 HB3 GLN A 5 4.865 10.299 7.349 1.00 0.47 H new ATOM 0 HG2 GLN A 5 2.818 12.038 8.282 1.00 0.47 H new ATOM 0 HG3 GLN A 5 4.140 13.087 7.808 1.00 0.47 H new ATOM 0 HE21 GLN A 5 2.416 10.122 6.667 1.00 0.53 H new ATOM 0 HE22 GLN A 5 2.501 10.518 4.947 1.00 0.53 H new ATOM 82 N LYS A 6 5.008 7.984 9.095 1.00 0.47 N ATOM 83 CA LYS A 6 5.936 6.876 8.994 1.00 0.54 C ATOM 84 C LYS A 6 5.814 6.182 7.647 1.00 0.46 C ATOM 85 O LYS A 6 4.798 6.267 6.954 1.00 0.36 O ATOM 86 CB LYS A 6 5.740 5.859 10.128 1.00 0.68 C ATOM 87 CG LYS A 6 6.225 6.360 11.493 1.00 1.09 C ATOM 88 CD LYS A 6 7.746 6.573 11.488 1.00 1.19 C ATOM 89 CE LYS A 6 8.236 7.079 12.846 1.00 1.96 C ATOM 90 NZ LYS A 6 9.619 7.585 12.742 1.00 3.18 N ATOM 0 H LYS A 6 4.100 7.786 8.676 1.00 0.47 H new ATOM 0 HA LYS A 6 6.938 7.294 9.086 1.00 0.54 H new ATOM 0 HB2 LYS A 6 4.682 5.605 10.198 1.00 0.68 H new ATOM 0 HB3 LYS A 6 6.272 4.941 9.877 1.00 0.68 H new ATOM 0 HG2 LYS A 6 5.723 7.295 11.741 1.00 1.09 H new ATOM 0 HG3 LYS A 6 5.957 5.640 12.266 1.00 1.09 H new ATOM 0 HD2 LYS A 6 8.247 5.636 11.243 1.00 1.19 H new ATOM 0 HD3 LYS A 6 8.013 7.290 10.711 1.00 1.19 H new ATOM 0 HE2 LYS A 6 7.579 7.871 13.204 1.00 1.96 H new ATOM 0 HE3 LYS A 6 8.192 6.273 13.578 1.00 1.96 H new ATOM 0 HZ1 LYS A 6 9.935 7.924 13.673 1.00 3.18 H new ATOM 0 HZ2 LYS A 6 10.246 6.819 12.421 1.00 3.18 H new ATOM 0 HZ3 LYS A 6 9.652 8.368 12.059 1.00 3.18 H new ATOM 104 N GLU A 7 6.908 5.504 7.320 1.00 0.54 N ATOM 105 CA GLU A 7 7.247 4.923 6.052 1.00 0.43 C ATOM 106 C GLU A 7 7.320 3.422 6.268 1.00 0.42 C ATOM 107 O GLU A 7 8.353 2.873 6.653 1.00 0.64 O ATOM 108 CB GLU A 7 8.600 5.467 5.574 1.00 0.56 C ATOM 109 CG GLU A 7 8.905 6.922 5.976 1.00 0.70 C ATOM 110 CD GLU A 7 9.499 7.099 7.384 1.00 0.90 C ATOM 111 OE1 GLU A 7 9.217 6.257 8.270 1.00 1.17 O ATOM 112 OE2 GLU A 7 10.221 8.101 7.566 1.00 1.46 O ATOM 0 H GLU A 7 7.641 5.339 8.010 1.00 0.54 H new ATOM 0 HA GLU A 7 6.507 5.168 5.290 1.00 0.43 H new ATOM 0 HB2 GLU A 7 9.390 4.826 5.967 1.00 0.56 H new ATOM 0 HB3 GLU A 7 8.639 5.392 4.487 1.00 0.56 H new ATOM 0 HG2 GLU A 7 9.599 7.345 5.250 1.00 0.70 H new ATOM 0 HG3 GLU A 7 7.984 7.501 5.912 1.00 0.70 H new ATOM 119 N ILE A 8 6.209 2.736 6.053 1.00 0.37 N ATOM 120 CA ILE A 8 6.169 1.319 6.268 1.00 0.43 C ATOM 121 C ILE A 8 6.743 0.662 5.016 1.00 0.33 C ATOM 122 O ILE A 8 6.774 1.289 3.955 1.00 0.29 O ATOM 123 CB ILE A 8 4.728 0.908 6.555 1.00 0.56 C ATOM 124 CG1 ILE A 8 3.898 1.853 7.425 1.00 1.19 C ATOM 125 CG2 ILE A 8 4.714 -0.502 7.111 1.00 0.90 C ATOM 126 CD1 ILE A 8 4.555 2.064 8.768 1.00 1.94 C ATOM 0 H ILE A 8 5.332 3.145 5.731 1.00 0.37 H new ATOM 0 HA ILE A 8 6.762 1.003 7.126 1.00 0.43 H new ATOM 0 HB ILE A 8 4.222 0.963 5.591 1.00 0.56 H new ATOM 0 HG12 ILE A 8 3.780 2.811 6.919 1.00 1.19 H new ATOM 0 HG13 ILE A 8 2.898 1.441 7.565 1.00 1.19 H new ATOM 0 HG21 ILE A 8 3.687 -0.801 7.318 1.00 0.90 H new ATOM 0 HG22 ILE A 8 5.151 -1.185 6.382 1.00 0.90 H new ATOM 0 HG23 ILE A 8 5.294 -0.535 8.033 1.00 0.90 H new ATOM 0 HD11 ILE A 8 3.946 2.740 9.369 1.00 1.94 H new ATOM 0 HD12 ILE A 8 4.649 1.107 9.281 1.00 1.94 H new ATOM 0 HD13 ILE A 8 5.545 2.498 8.625 1.00 1.94 H new ATOM 138 N ALA A 9 7.210 -0.580 5.146 1.00 0.34 N ATOM 139 CA ALA A 9 7.642 -1.428 4.049 1.00 0.37 C ATOM 140 C ALA A 9 6.971 -2.785 4.240 1.00 0.45 C ATOM 141 O ALA A 9 6.905 -3.255 5.376 1.00 0.62 O ATOM 142 CB ALA A 9 9.166 -1.581 4.073 1.00 0.41 C ATOM 0 H ALA A 9 7.299 -1.034 6.055 1.00 0.34 H new ATOM 0 HA ALA A 9 7.366 -0.993 3.088 1.00 0.37 H new ATOM 0 HB1 ALA A 9 9.481 -2.219 3.247 1.00 0.41 H new ATOM 0 HB2 ALA A 9 9.632 -0.601 3.973 1.00 0.41 H new ATOM 0 HB3 ALA A 9 9.471 -2.033 5.017 1.00 0.41 H new ATOM 148 N MET A 10 6.488 -3.409 3.163 1.00 0.36 N ATOM 149 CA MET A 10 6.010 -4.787 3.191 1.00 0.38 C ATOM 150 C MET A 10 6.105 -5.396 1.789 1.00 0.28 C ATOM 151 O MET A 10 6.501 -4.707 0.846 1.00 0.26 O ATOM 152 CB MET A 10 4.616 -4.908 3.835 1.00 0.68 C ATOM 153 CG MET A 10 3.461 -4.243 3.077 1.00 1.45 C ATOM 154 SD MET A 10 3.253 -2.452 3.283 1.00 1.82 S ATOM 155 CE MET A 10 2.546 -2.400 4.944 1.00 1.80 C ATOM 0 H MET A 10 6.419 -2.968 2.246 1.00 0.36 H new ATOM 0 HA MET A 10 6.658 -5.376 3.840 1.00 0.38 H new ATOM 0 HB2 MET A 10 4.384 -5.966 3.953 1.00 0.68 H new ATOM 0 HB3 MET A 10 4.662 -4.478 4.835 1.00 0.68 H new ATOM 0 HG2 MET A 10 3.593 -4.447 2.014 1.00 1.45 H new ATOM 0 HG3 MET A 10 2.534 -4.728 3.382 1.00 1.45 H new ATOM 0 HE1 MET A 10 2.307 -1.369 5.206 1.00 1.80 H new ATOM 0 HE2 MET A 10 1.637 -3.001 4.972 1.00 1.80 H new ATOM 0 HE3 MET A 10 3.266 -2.798 5.659 1.00 1.80 H new ATOM 165 N GLN A 11 5.773 -6.686 1.668 1.00 0.29 N ATOM 166 CA GLN A 11 5.829 -7.442 0.424 1.00 0.27 C ATOM 167 C GLN A 11 4.454 -7.450 -0.251 1.00 0.26 C ATOM 168 O GLN A 11 3.460 -7.095 0.382 1.00 0.28 O ATOM 169 CB GLN A 11 6.328 -8.862 0.747 1.00 0.33 C ATOM 170 CG GLN A 11 7.826 -8.887 1.074 1.00 0.70 C ATOM 171 CD GLN A 11 8.612 -8.401 -0.130 1.00 1.33 C ATOM 172 OE1 GLN A 11 9.221 -7.332 -0.107 1.00 2.61 O ATOM 173 NE2 GLN A 11 8.498 -9.137 -1.228 1.00 1.04 N ATOM 0 H GLN A 11 5.449 -7.244 2.459 1.00 0.29 H new ATOM 0 HA GLN A 11 6.521 -6.980 -0.280 1.00 0.27 H new ATOM 0 HB2 GLN A 11 5.766 -9.260 1.592 1.00 0.33 H new ATOM 0 HB3 GLN A 11 6.132 -9.517 -0.102 1.00 0.33 H new ATOM 0 HG2 GLN A 11 8.032 -8.253 1.937 1.00 0.70 H new ATOM 0 HG3 GLN A 11 8.135 -9.898 1.340 1.00 0.70 H new ATOM 0 HE21 GLN A 11 7.983 -10.017 -1.201 1.00 1.04 H new ATOM 0 HE22 GLN A 11 8.925 -8.823 -2.099 1.00 1.04 H new ATOM 182 N VAL A 12 4.397 -7.836 -1.532 1.00 0.34 N ATOM 183 CA VAL A 12 3.193 -7.786 -2.362 1.00 0.37 C ATOM 184 C VAL A 12 2.959 -9.150 -3.020 1.00 0.45 C ATOM 185 O VAL A 12 3.883 -9.698 -3.615 1.00 0.84 O ATOM 186 CB VAL A 12 3.341 -6.689 -3.436 1.00 0.49 C ATOM 187 CG1 VAL A 12 2.033 -6.519 -4.219 1.00 1.16 C ATOM 188 CG2 VAL A 12 3.708 -5.335 -2.821 1.00 1.12 C ATOM 0 H VAL A 12 5.209 -8.201 -2.030 1.00 0.34 H new ATOM 0 HA VAL A 12 2.334 -7.547 -1.736 1.00 0.37 H new ATOM 0 HB VAL A 12 4.143 -7.010 -4.101 1.00 0.49 H new ATOM 0 HG11 VAL A 12 2.158 -5.741 -4.972 1.00 1.16 H new ATOM 0 HG12 VAL A 12 1.777 -7.459 -4.708 1.00 1.16 H new ATOM 0 HG13 VAL A 12 1.233 -6.237 -3.534 1.00 1.16 H new ATOM 0 HG21 VAL A 12 3.803 -4.590 -3.611 1.00 1.12 H new ATOM 0 HG22 VAL A 12 2.928 -5.028 -2.125 1.00 1.12 H new ATOM 0 HG23 VAL A 12 4.655 -5.422 -2.289 1.00 1.12 H new ATOM 198 N SER A 13 1.725 -9.661 -2.951 1.00 0.39 N ATOM 199 CA SER A 13 1.256 -10.829 -3.689 1.00 0.41 C ATOM 200 C SER A 13 0.120 -10.414 -4.626 1.00 0.55 C ATOM 201 O SER A 13 -0.281 -9.250 -4.659 1.00 0.77 O ATOM 202 CB SER A 13 0.804 -11.914 -2.702 1.00 0.56 C ATOM 203 OG SER A 13 1.944 -12.487 -2.098 1.00 0.89 O ATOM 0 H SER A 13 1.002 -9.255 -2.357 1.00 0.39 H new ATOM 0 HA SER A 13 2.064 -11.241 -4.294 1.00 0.41 H new ATOM 0 HB2 SER A 13 0.151 -11.484 -1.942 1.00 0.56 H new ATOM 0 HB3 SER A 13 0.228 -12.680 -3.221 1.00 0.56 H new ATOM 0 HG SER A 13 1.665 -13.180 -1.464 1.00 0.89 H new ATOM 209 N GLY A 14 -0.381 -11.350 -5.439 1.00 0.60 N ATOM 210 CA GLY A 14 -1.480 -11.100 -6.365 1.00 0.79 C ATOM 211 C GLY A 14 -0.989 -10.448 -7.659 1.00 0.99 C ATOM 212 O GLY A 14 -1.396 -10.850 -8.749 1.00 2.24 O ATOM 0 H GLY A 14 -0.030 -12.307 -5.470 1.00 0.60 H new ATOM 0 HA2 GLY A 14 -1.981 -12.040 -6.598 1.00 0.79 H new ATOM 0 HA3 GLY A 14 -2.218 -10.454 -5.889 1.00 0.79 H new ATOM 216 N MET A 15 -0.116 -9.442 -7.535 1.00 1.10 N ATOM 217 CA MET A 15 0.515 -8.765 -8.659 1.00 1.08 C ATOM 218 C MET A 15 1.019 -9.739 -9.728 1.00 1.19 C ATOM 219 O MET A 15 1.536 -10.808 -9.412 1.00 1.44 O ATOM 220 CB MET A 15 1.652 -7.857 -8.166 1.00 1.08 C ATOM 221 CG MET A 15 2.846 -8.605 -7.551 1.00 1.14 C ATOM 222 SD MET A 15 4.142 -9.109 -8.714 1.00 1.55 S ATOM 223 CE MET A 15 5.318 -9.836 -7.554 1.00 2.27 C ATOM 0 H MET A 15 0.173 -9.073 -6.629 1.00 1.10 H new ATOM 0 HA MET A 15 -0.250 -8.151 -9.134 1.00 1.08 H new ATOM 0 HB2 MET A 15 2.008 -7.256 -9.003 1.00 1.08 H new ATOM 0 HB3 MET A 15 1.252 -7.166 -7.424 1.00 1.08 H new ATOM 0 HG2 MET A 15 3.295 -7.969 -6.788 1.00 1.14 H new ATOM 0 HG3 MET A 15 2.472 -9.495 -7.045 1.00 1.14 H new ATOM 0 HE1 MET A 15 6.211 -10.155 -8.092 1.00 2.27 H new ATOM 0 HE2 MET A 15 5.592 -9.096 -6.802 1.00 2.27 H new ATOM 0 HE3 MET A 15 4.862 -10.697 -7.066 1.00 2.27 H new ATOM 233 N THR A 16 0.873 -9.337 -10.990 1.00 1.22 N ATOM 234 CA THR A 16 1.434 -10.025 -12.148 1.00 1.46 C ATOM 235 C THR A 16 1.795 -9.020 -13.243 1.00 0.98 C ATOM 236 O THR A 16 2.889 -9.091 -13.797 1.00 1.39 O ATOM 237 CB THR A 16 0.488 -11.120 -12.673 1.00 2.22 C ATOM 238 OG1 THR A 16 -0.857 -10.773 -12.404 1.00 2.38 O ATOM 239 CG2 THR A 16 0.776 -12.490 -12.049 1.00 3.24 C ATOM 0 H THR A 16 0.346 -8.500 -11.240 1.00 1.22 H new ATOM 0 HA THR A 16 2.349 -10.526 -11.832 1.00 1.46 H new ATOM 0 HB THR A 16 0.658 -11.192 -13.747 1.00 2.22 H new ATOM 0 HG1 THR A 16 -1.450 -11.475 -12.744 1.00 2.38 H new ATOM 0 HG21 THR A 16 0.082 -13.227 -12.453 1.00 3.24 H new ATOM 0 HG22 THR A 16 1.798 -12.789 -12.282 1.00 3.24 H new ATOM 0 HG23 THR A 16 0.654 -12.430 -10.968 1.00 3.24 H new ATOM 247 N CYS A 17 0.908 -8.065 -13.550 1.00 0.93 N ATOM 248 CA CYS A 17 1.180 -7.066 -14.582 1.00 1.50 C ATOM 249 C CYS A 17 2.246 -6.048 -14.152 1.00 1.62 C ATOM 250 O CYS A 17 2.767 -5.316 -14.989 1.00 3.04 O ATOM 251 CB CYS A 17 -0.120 -6.360 -14.974 1.00 1.81 C ATOM 252 SG CYS A 17 -0.875 -5.631 -13.505 1.00 1.95 S ATOM 0 H CYS A 17 -0.001 -7.966 -13.098 1.00 0.93 H new ATOM 0 HA CYS A 17 1.585 -7.589 -15.448 1.00 1.50 H new ATOM 0 HB2 CYS A 17 0.083 -5.586 -15.714 1.00 1.81 H new ATOM 0 HB3 CYS A 17 -0.807 -7.070 -15.435 1.00 1.81 H new ATOM 257 N ALA A 18 2.536 -5.964 -12.847 1.00 1.44 N ATOM 258 CA ALA A 18 3.508 -5.042 -12.267 1.00 1.45 C ATOM 259 C ALA A 18 3.151 -3.573 -12.542 1.00 1.16 C ATOM 260 O ALA A 18 4.032 -2.717 -12.571 1.00 1.77 O ATOM 261 CB ALA A 18 4.925 -5.404 -12.734 1.00 2.05 C ATOM 0 H ALA A 18 2.085 -6.555 -12.149 1.00 1.44 H new ATOM 0 HA ALA A 18 3.477 -5.151 -11.183 1.00 1.45 H new ATOM 0 HB1 ALA A 18 5.641 -4.710 -12.295 1.00 2.05 H new ATOM 0 HB2 ALA A 18 5.164 -6.420 -12.418 1.00 2.05 H new ATOM 0 HB3 ALA A 18 4.977 -5.340 -13.821 1.00 2.05 H new ATOM 267 N ALA A 19 1.854 -3.278 -12.700 1.00 0.90 N ATOM 268 CA ALA A 19 1.335 -1.941 -12.975 1.00 0.66 C ATOM 269 C ALA A 19 0.188 -1.611 -12.018 1.00 0.45 C ATOM 270 O ALA A 19 0.215 -0.587 -11.340 1.00 0.58 O ATOM 271 CB ALA A 19 0.896 -1.854 -14.438 1.00 0.74 C ATOM 0 H ALA A 19 1.121 -3.985 -12.638 1.00 0.90 H new ATOM 0 HA ALA A 19 2.119 -1.201 -12.811 1.00 0.66 H new ATOM 0 HB1 ALA A 19 0.509 -0.856 -14.643 1.00 0.74 H new ATOM 0 HB2 ALA A 19 1.749 -2.052 -15.086 1.00 0.74 H new ATOM 0 HB3 ALA A 19 0.117 -2.592 -14.628 1.00 0.74 H new ATOM 277 N CYS A 20 -0.806 -2.498 -11.927 1.00 0.41 N ATOM 278 CA CYS A 20 -1.897 -2.441 -10.959 1.00 0.42 C ATOM 279 C CYS A 20 -1.398 -2.267 -9.521 1.00 0.34 C ATOM 280 O CYS A 20 -2.045 -1.604 -8.713 1.00 0.38 O ATOM 281 CB CYS A 20 -2.748 -3.703 -11.119 1.00 0.56 C ATOM 282 SG CYS A 20 -3.763 -3.502 -12.607 1.00 1.64 S ATOM 0 H CYS A 20 -0.873 -3.304 -12.549 1.00 0.41 H new ATOM 0 HA CYS A 20 -2.505 -1.559 -11.160 1.00 0.42 H new ATOM 0 HB2 CYS A 20 -2.112 -4.584 -11.207 1.00 0.56 H new ATOM 0 HB3 CYS A 20 -3.379 -3.851 -10.243 1.00 0.56 H new ATOM 287 N ALA A 21 -0.222 -2.808 -9.206 1.00 0.31 N ATOM 288 CA ALA A 21 0.417 -2.587 -7.917 1.00 0.33 C ATOM 289 C ALA A 21 0.577 -1.088 -7.606 1.00 0.32 C ATOM 290 O ALA A 21 0.607 -0.690 -6.450 1.00 0.35 O ATOM 291 CB ALA A 21 1.752 -3.336 -7.892 1.00 0.41 C ATOM 0 H ALA A 21 0.310 -3.408 -9.836 1.00 0.31 H new ATOM 0 HA ALA A 21 -0.220 -2.982 -7.125 1.00 0.33 H new ATOM 0 HB1 ALA A 21 2.240 -3.178 -6.930 1.00 0.41 H new ATOM 0 HB2 ALA A 21 1.574 -4.402 -8.038 1.00 0.41 H new ATOM 0 HB3 ALA A 21 2.394 -2.963 -8.690 1.00 0.41 H new ATOM 297 N ALA A 22 0.658 -0.222 -8.619 1.00 0.32 N ATOM 298 CA ALA A 22 0.592 1.216 -8.414 1.00 0.34 C ATOM 299 C ALA A 22 -0.820 1.639 -8.024 1.00 0.33 C ATOM 300 O ALA A 22 -0.988 2.423 -7.092 1.00 0.30 O ATOM 301 CB ALA A 22 1.074 1.948 -9.671 1.00 0.38 C ATOM 0 H ALA A 22 0.770 -0.500 -9.594 1.00 0.32 H new ATOM 0 HA ALA A 22 1.252 1.489 -7.591 1.00 0.34 H new ATOM 0 HB1 ALA A 22 1.021 3.024 -9.508 1.00 0.38 H new ATOM 0 HB2 ALA A 22 2.104 1.664 -9.885 1.00 0.38 H new ATOM 0 HB3 ALA A 22 0.440 1.677 -10.515 1.00 0.38 H new ATOM 307 N ARG A 23 -1.835 1.142 -8.738 1.00 0.38 N ATOM 308 CA ARG A 23 -3.217 1.525 -8.489 1.00 0.41 C ATOM 309 C ARG A 23 -3.555 1.357 -7.016 1.00 0.41 C ATOM 310 O ARG A 23 -4.164 2.253 -6.435 1.00 0.39 O ATOM 311 CB ARG A 23 -4.212 0.725 -9.343 1.00 0.56 C ATOM 312 CG ARG A 23 -4.162 1.121 -10.820 1.00 0.73 C ATOM 313 CD ARG A 23 -5.255 0.371 -11.601 1.00 1.87 C ATOM 314 NE ARG A 23 -5.989 1.267 -12.510 1.00 1.97 N ATOM 315 CZ ARG A 23 -5.505 1.790 -13.647 1.00 2.62 C ATOM 316 NH1 ARG A 23 -4.283 1.445 -14.066 1.00 3.31 N ATOM 317 NH2 ARG A 23 -6.241 2.659 -14.350 1.00 3.66 N ATOM 0 H ARG A 23 -1.718 0.470 -9.496 1.00 0.38 H new ATOM 0 HA ARG A 23 -3.310 2.573 -8.772 1.00 0.41 H new ATOM 0 HB2 ARG A 23 -3.996 -0.339 -9.247 1.00 0.56 H new ATOM 0 HB3 ARG A 23 -5.221 0.881 -8.962 1.00 0.56 H new ATOM 0 HG2 ARG A 23 -4.304 2.197 -10.922 1.00 0.73 H new ATOM 0 HG3 ARG A 23 -3.181 0.888 -11.235 1.00 0.73 H new ATOM 0 HD2 ARG A 23 -4.802 -0.438 -12.175 1.00 1.87 H new ATOM 0 HD3 ARG A 23 -5.953 -0.087 -10.900 1.00 1.87 H new ATOM 0 HE ARG A 23 -6.946 1.511 -12.254 1.00 1.97 H new ATOM 0 HH11 ARG A 23 -3.724 0.788 -13.522 1.00 3.31 H new ATOM 0 HH12 ARG A 23 -3.910 1.839 -14.930 1.00 3.31 H new ATOM 0 HH21 ARG A 23 -7.170 2.924 -14.021 1.00 3.66 H new ATOM 0 HH22 ARG A 23 -5.873 3.057 -15.214 1.00 3.66 H new ATOM 331 N ILE A 24 -3.154 0.236 -6.410 1.00 0.45 N ATOM 332 CA ILE A 24 -3.475 0.022 -5.007 1.00 0.48 C ATOM 333 C ILE A 24 -2.883 1.126 -4.129 1.00 0.45 C ATOM 334 O ILE A 24 -3.634 1.811 -3.445 1.00 0.46 O ATOM 335 CB ILE A 24 -3.216 -1.411 -4.529 1.00 0.54 C ATOM 336 CG1 ILE A 24 -1.744 -1.648 -4.223 1.00 0.64 C ATOM 337 CG2 ILE A 24 -3.784 -2.405 -5.544 1.00 0.60 C ATOM 338 CD1 ILE A 24 -1.349 -3.108 -4.031 1.00 0.61 C ATOM 0 H ILE A 24 -2.624 -0.512 -6.856 1.00 0.45 H new ATOM 0 HA ILE A 24 -4.556 0.114 -4.898 1.00 0.48 H new ATOM 0 HB ILE A 24 -3.737 -1.569 -3.585 1.00 0.54 H new ATOM 0 HG12 ILE A 24 -1.149 -1.231 -5.035 1.00 0.64 H new ATOM 0 HG13 ILE A 24 -1.483 -1.096 -3.320 1.00 0.64 H new ATOM 0 HG21 ILE A 24 -3.598 -3.422 -5.200 1.00 0.60 H new ATOM 0 HG22 ILE A 24 -4.858 -2.247 -5.646 1.00 0.60 H new ATOM 0 HG23 ILE A 24 -3.302 -2.254 -6.510 1.00 0.60 H new ATOM 0 HD11 ILE A 24 -0.282 -3.171 -3.818 1.00 0.61 H new ATOM 0 HD12 ILE A 24 -1.911 -3.531 -3.198 1.00 0.61 H new ATOM 0 HD13 ILE A 24 -1.571 -3.668 -4.940 1.00 0.61 H new ATOM 350 N GLU A 25 -1.571 1.363 -4.195 1.00 0.42 N ATOM 351 CA GLU A 25 -0.912 2.426 -3.443 1.00 0.40 C ATOM 352 C GLU A 25 -1.533 3.795 -3.719 1.00 0.33 C ATOM 353 O GLU A 25 -1.704 4.593 -2.802 1.00 0.36 O ATOM 354 CB GLU A 25 0.594 2.440 -3.752 1.00 0.40 C ATOM 355 CG GLU A 25 1.377 1.623 -2.719 1.00 0.44 C ATOM 356 CD GLU A 25 0.846 0.206 -2.585 1.00 1.07 C ATOM 357 OE1 GLU A 25 1.241 -0.626 -3.426 1.00 2.16 O ATOM 358 OE2 GLU A 25 0.062 -0.015 -1.636 1.00 2.14 O ATOM 0 H GLU A 25 -0.934 0.818 -4.776 1.00 0.42 H new ATOM 0 HA GLU A 25 -1.056 2.217 -2.383 1.00 0.40 H new ATOM 0 HB2 GLU A 25 0.768 2.034 -4.749 1.00 0.40 H new ATOM 0 HB3 GLU A 25 0.957 3.468 -3.759 1.00 0.40 H new ATOM 0 HG2 GLU A 25 2.428 1.590 -3.006 1.00 0.44 H new ATOM 0 HG3 GLU A 25 1.327 2.121 -1.751 1.00 0.44 H new ATOM 365 N LYS A 26 -1.842 4.100 -4.979 1.00 0.30 N ATOM 366 CA LYS A 26 -2.340 5.423 -5.338 1.00 0.30 C ATOM 367 C LYS A 26 -3.765 5.611 -4.806 1.00 0.34 C ATOM 368 O LYS A 26 -4.072 6.630 -4.189 1.00 0.45 O ATOM 369 CB LYS A 26 -2.224 5.678 -6.850 1.00 0.33 C ATOM 370 CG LYS A 26 -0.852 6.256 -7.252 1.00 0.50 C ATOM 371 CD LYS A 26 0.314 5.278 -7.130 1.00 1.11 C ATOM 372 CE LYS A 26 1.589 5.906 -7.708 1.00 0.75 C ATOM 373 NZ LYS A 26 2.802 5.168 -7.304 1.00 1.82 N ATOM 0 H LYS A 26 -1.756 3.452 -5.762 1.00 0.30 H new ATOM 0 HA LYS A 26 -1.714 6.178 -4.862 1.00 0.30 H new ATOM 0 HB2 LYS A 26 -2.391 4.744 -7.386 1.00 0.33 H new ATOM 0 HB3 LYS A 26 -3.009 6.368 -7.159 1.00 0.33 H new ATOM 0 HG2 LYS A 26 -0.908 6.606 -8.283 1.00 0.50 H new ATOM 0 HG3 LYS A 26 -0.644 7.127 -6.631 1.00 0.50 H new ATOM 0 HD2 LYS A 26 0.471 5.015 -6.084 1.00 1.11 H new ATOM 0 HD3 LYS A 26 0.081 4.354 -7.660 1.00 1.11 H new ATOM 0 HE2 LYS A 26 1.522 5.926 -8.796 1.00 0.75 H new ATOM 0 HE3 LYS A 26 1.667 6.941 -7.375 1.00 0.75 H new ATOM 0 HZ1 LYS A 26 3.640 5.626 -7.716 1.00 1.82 H new ATOM 0 HZ2 LYS A 26 2.881 5.171 -6.267 1.00 1.82 H new ATOM 0 HZ3 LYS A 26 2.741 4.187 -7.644 1.00 1.82 H new ATOM 387 N GLY A 27 -4.634 4.621 -5.015 1.00 0.33 N ATOM 388 CA GLY A 27 -5.970 4.613 -4.442 1.00 0.38 C ATOM 389 C GLY A 27 -5.889 4.689 -2.919 1.00 0.48 C ATOM 390 O GLY A 27 -6.609 5.457 -2.285 1.00 0.73 O ATOM 0 H GLY A 27 -4.426 3.803 -5.588 1.00 0.33 H new ATOM 0 HA2 GLY A 27 -6.544 5.457 -4.826 1.00 0.38 H new ATOM 0 HA3 GLY A 27 -6.497 3.707 -4.741 1.00 0.38 H new ATOM 394 N LEU A 28 -4.985 3.907 -2.332 1.00 0.39 N ATOM 395 CA LEU A 28 -4.783 3.847 -0.893 1.00 0.46 C ATOM 396 C LEU A 28 -4.348 5.224 -0.380 1.00 0.46 C ATOM 397 O LEU A 28 -4.884 5.715 0.609 1.00 0.57 O ATOM 398 CB LEU A 28 -3.820 2.688 -0.578 1.00 0.50 C ATOM 399 CG LEU A 28 -3.467 2.440 0.896 1.00 0.67 C ATOM 400 CD1 LEU A 28 -2.260 3.295 1.290 1.00 2.39 C ATOM 401 CD2 LEU A 28 -4.656 2.635 1.844 1.00 2.03 C ATOM 0 H LEU A 28 -4.364 3.289 -2.855 1.00 0.39 H new ATOM 0 HA LEU A 28 -5.704 3.624 -0.355 1.00 0.46 H new ATOM 0 HB2 LEU A 28 -4.254 1.772 -0.979 1.00 0.50 H new ATOM 0 HB3 LEU A 28 -2.892 2.865 -1.121 1.00 0.50 H new ATOM 0 HG LEU A 28 -3.198 1.389 1.000 1.00 0.67 H new ATOM 0 HD11 LEU A 28 -2.013 3.116 2.336 1.00 2.39 H new ATOM 0 HD12 LEU A 28 -1.407 3.030 0.665 1.00 2.39 H new ATOM 0 HD13 LEU A 28 -2.499 4.349 1.149 1.00 2.39 H new ATOM 0 HD21 LEU A 28 -4.339 2.445 2.869 1.00 2.03 H new ATOM 0 HD22 LEU A 28 -5.023 3.658 1.762 1.00 2.03 H new ATOM 0 HD23 LEU A 28 -5.453 1.941 1.576 1.00 2.03 H new ATOM 413 N LYS A 29 -3.438 5.907 -1.081 1.00 0.40 N ATOM 414 CA LYS A 29 -3.074 7.277 -0.735 1.00 0.45 C ATOM 415 C LYS A 29 -4.309 8.173 -0.607 1.00 0.47 C ATOM 416 O LYS A 29 -4.314 9.131 0.159 1.00 0.58 O ATOM 417 CB LYS A 29 -2.074 7.863 -1.739 1.00 0.51 C ATOM 418 CG LYS A 29 -1.496 9.185 -1.204 1.00 0.68 C ATOM 419 CD LYS A 29 -1.516 10.329 -2.232 1.00 0.80 C ATOM 420 CE LYS A 29 -0.262 10.270 -3.111 1.00 1.65 C ATOM 421 NZ LYS A 29 -0.089 11.451 -3.973 1.00 2.77 N ATOM 0 H LYS A 29 -2.943 5.531 -1.890 1.00 0.40 H new ATOM 0 HA LYS A 29 -2.587 7.243 0.240 1.00 0.45 H new ATOM 0 HB2 LYS A 29 -1.268 7.151 -1.918 1.00 0.51 H new ATOM 0 HB3 LYS A 29 -2.567 8.034 -2.696 1.00 0.51 H new ATOM 0 HG2 LYS A 29 -2.062 9.489 -0.324 1.00 0.68 H new ATOM 0 HG3 LYS A 29 -0.469 9.018 -0.880 1.00 0.68 H new ATOM 0 HD2 LYS A 29 -2.409 10.254 -2.853 1.00 0.80 H new ATOM 0 HD3 LYS A 29 -1.564 11.289 -1.718 1.00 0.80 H new ATOM 0 HE2 LYS A 29 0.615 10.166 -2.472 1.00 1.65 H new ATOM 0 HE3 LYS A 29 -0.309 9.378 -3.736 1.00 1.65 H new ATOM 0 HZ1 LYS A 29 0.777 11.344 -4.539 1.00 2.77 H new ATOM 0 HZ2 LYS A 29 -0.908 11.541 -4.607 1.00 2.77 H new ATOM 0 HZ3 LYS A 29 -0.014 12.304 -3.382 1.00 2.77 H new ATOM 435 N ARG A 30 -5.371 7.873 -1.353 1.00 0.46 N ATOM 436 CA ARG A 30 -6.553 8.707 -1.372 1.00 0.59 C ATOM 437 C ARG A 30 -7.416 8.571 -0.105 1.00 0.63 C ATOM 438 O ARG A 30 -8.448 9.247 -0.029 1.00 0.76 O ATOM 439 CB ARG A 30 -7.340 8.401 -2.660 1.00 0.71 C ATOM 440 CG ARG A 30 -7.821 9.679 -3.356 1.00 0.82 C ATOM 441 CD ARG A 30 -9.343 9.708 -3.515 1.00 1.44 C ATOM 442 NE ARG A 30 -9.819 11.093 -3.585 1.00 2.26 N ATOM 443 CZ ARG A 30 -9.887 11.922 -2.528 1.00 3.43 C ATOM 444 NH1 ARG A 30 -9.570 11.490 -1.296 1.00 4.41 N ATOM 445 NH2 ARG A 30 -10.260 13.193 -2.720 1.00 4.28 N ATOM 0 H ARG A 30 -5.429 7.050 -1.953 1.00 0.46 H new ATOM 0 HA ARG A 30 -6.245 9.752 -1.372 1.00 0.59 H new ATOM 0 HB2 ARG A 30 -6.710 7.831 -3.343 1.00 0.71 H new ATOM 0 HB3 ARG A 30 -8.199 7.774 -2.420 1.00 0.71 H new ATOM 0 HG2 ARG A 30 -7.500 10.548 -2.781 1.00 0.82 H new ATOM 0 HG3 ARG A 30 -7.353 9.756 -4.337 1.00 0.82 H new ATOM 0 HD2 ARG A 30 -9.632 9.171 -4.418 1.00 1.44 H new ATOM 0 HD3 ARG A 30 -9.813 9.196 -2.675 1.00 1.44 H new ATOM 0 HE ARG A 30 -10.117 11.450 -4.493 1.00 2.26 H new ATOM 0 HH11 ARG A 30 -9.274 10.524 -1.155 1.00 4.41 H new ATOM 0 HH12 ARG A 30 -9.625 12.128 -0.502 1.00 4.41 H new ATOM 0 HH21 ARG A 30 -10.488 13.521 -3.658 1.00 4.28 H new ATOM 0 HH22 ARG A 30 -10.316 13.833 -1.928 1.00 4.28 H new ATOM 459 N MET A 31 -7.012 7.714 0.849 1.00 0.62 N ATOM 460 CA MET A 31 -7.683 7.439 2.119 1.00 0.62 C ATOM 461 C MET A 31 -7.204 8.398 3.218 1.00 0.50 C ATOM 462 O MET A 31 -6.062 8.856 3.174 1.00 0.42 O ATOM 463 CB MET A 31 -7.353 5.998 2.543 1.00 0.65 C ATOM 464 CG MET A 31 -7.800 4.968 1.502 1.00 1.87 C ATOM 465 SD MET A 31 -9.578 4.875 1.175 1.00 3.50 S ATOM 466 CE MET A 31 -10.200 4.354 2.792 1.00 3.38 C ATOM 0 H MET A 31 -6.158 7.166 0.742 1.00 0.62 H new ATOM 0 HA MET A 31 -8.756 7.574 1.985 1.00 0.62 H new ATOM 0 HB2 MET A 31 -6.279 5.906 2.704 1.00 0.65 H new ATOM 0 HB3 MET A 31 -7.837 5.782 3.495 1.00 0.65 H new ATOM 0 HG2 MET A 31 -7.291 5.187 0.564 1.00 1.87 H new ATOM 0 HG3 MET A 31 -7.460 3.984 1.827 1.00 1.87 H new ATOM 0 HE1 MET A 31 -11.142 3.821 2.665 1.00 3.38 H new ATOM 0 HE2 MET A 31 -9.472 3.696 3.267 1.00 3.38 H new ATOM 0 HE3 MET A 31 -10.361 5.231 3.420 1.00 3.38 H new ATOM 476 N PRO A 32 -8.038 8.685 4.235 1.00 0.58 N ATOM 477 CA PRO A 32 -7.633 9.510 5.360 1.00 0.54 C ATOM 478 C PRO A 32 -6.447 8.857 6.073 1.00 0.49 C ATOM 479 O PRO A 32 -6.405 7.638 6.234 1.00 0.61 O ATOM 480 CB PRO A 32 -8.865 9.615 6.267 1.00 0.66 C ATOM 481 CG PRO A 32 -9.629 8.328 5.966 1.00 0.74 C ATOM 482 CD PRO A 32 -9.357 8.123 4.476 1.00 0.73 C ATOM 0 HA PRO A 32 -7.304 10.504 5.056 1.00 0.54 H new ATOM 0 HB2 PRO A 32 -8.586 9.682 7.319 1.00 0.66 H new ATOM 0 HB3 PRO A 32 -9.460 10.499 6.038 1.00 0.66 H new ATOM 0 HG2 PRO A 32 -9.266 7.492 6.564 1.00 0.74 H new ATOM 0 HG3 PRO A 32 -10.694 8.430 6.174 1.00 0.74 H new ATOM 0 HD2 PRO A 32 -9.385 7.065 4.215 1.00 0.73 H new ATOM 0 HD3 PRO A 32 -10.112 8.622 3.868 1.00 0.73 H new ATOM 490 N GLY A 33 -5.471 9.672 6.476 1.00 0.47 N ATOM 491 CA GLY A 33 -4.287 9.207 7.175 1.00 0.45 C ATOM 492 C GLY A 33 -3.098 9.011 6.243 1.00 0.41 C ATOM 493 O GLY A 33 -1.965 9.151 6.688 1.00 0.48 O ATOM 0 H GLY A 33 -5.487 10.680 6.322 1.00 0.47 H new ATOM 0 HA2 GLY A 33 -4.022 9.925 7.951 1.00 0.45 H new ATOM 0 HA3 GLY A 33 -4.511 8.265 7.676 1.00 0.45 H new ATOM 497 N VAL A 34 -3.315 8.652 4.976 1.00 0.45 N ATOM 498 CA VAL A 34 -2.203 8.437 4.063 1.00 0.38 C ATOM 499 C VAL A 34 -1.902 9.739 3.327 1.00 0.40 C ATOM 500 O VAL A 34 -2.827 10.450 2.938 1.00 0.62 O ATOM 501 CB VAL A 34 -2.492 7.279 3.101 1.00 0.42 C ATOM 502 CG1 VAL A 34 -1.192 6.949 2.348 1.00 0.36 C ATOM 503 CG2 VAL A 34 -2.995 6.041 3.857 1.00 0.53 C ATOM 0 H VAL A 34 -4.239 8.507 4.568 1.00 0.45 H new ATOM 0 HA VAL A 34 -1.317 8.149 4.629 1.00 0.38 H new ATOM 0 HB VAL A 34 -3.275 7.573 2.402 1.00 0.42 H new ATOM 0 HG11 VAL A 34 -1.371 6.126 1.656 1.00 0.36 H new ATOM 0 HG12 VAL A 34 -0.861 7.826 1.792 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.421 6.660 3.062 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -3.191 5.237 3.148 1.00 0.53 H new ATOM 0 HG22 VAL A 34 -2.238 5.718 4.571 1.00 0.53 H new ATOM 0 HG23 VAL A 34 -3.914 6.288 4.389 1.00 0.53 H new ATOM 513 N THR A 35 -0.615 10.042 3.129 1.00 0.33 N ATOM 514 CA THR A 35 -0.184 11.248 2.439 1.00 0.36 C ATOM 515 C THR A 35 0.627 10.907 1.186 1.00 0.39 C ATOM 516 O THR A 35 0.360 11.499 0.139 1.00 0.52 O ATOM 517 CB THR A 35 0.472 12.218 3.436 1.00 0.45 C ATOM 518 OG1 THR A 35 -0.499 13.128 3.916 1.00 0.99 O ATOM 519 CG2 THR A 35 1.648 13.010 2.873 1.00 0.68 C ATOM 0 H THR A 35 0.154 9.452 3.446 1.00 0.33 H new ATOM 0 HA THR A 35 -1.041 11.794 2.044 1.00 0.36 H new ATOM 0 HB THR A 35 0.874 11.593 4.233 1.00 0.45 H new ATOM 0 HG1 THR A 35 -0.082 13.745 4.553 1.00 0.99 H new ATOM 0 HG21 THR A 35 2.047 13.667 3.646 1.00 0.68 H new ATOM 0 HG22 THR A 35 2.426 12.321 2.544 1.00 0.68 H new ATOM 0 HG23 THR A 35 1.312 13.608 2.026 1.00 0.68 H new ATOM 527 N ASP A 36 1.549 9.933 1.232 1.00 0.37 N ATOM 528 CA ASP A 36 2.213 9.457 0.028 1.00 0.44 C ATOM 529 C ASP A 36 2.356 7.946 0.034 1.00 0.36 C ATOM 530 O ASP A 36 2.168 7.295 1.058 1.00 0.28 O ATOM 531 CB ASP A 36 3.513 10.216 -0.289 1.00 0.55 C ATOM 532 CG ASP A 36 3.333 11.104 -1.521 1.00 0.81 C ATOM 533 OD1 ASP A 36 2.942 10.545 -2.573 1.00 1.76 O ATOM 534 OD2 ASP A 36 3.554 12.326 -1.392 1.00 2.13 O ATOM 0 H ASP A 36 1.845 9.467 2.090 1.00 0.37 H new ATOM 0 HA ASP A 36 1.563 9.693 -0.814 1.00 0.44 H new ATOM 0 HB2 ASP A 36 3.802 10.827 0.567 1.00 0.55 H new ATOM 0 HB3 ASP A 36 4.322 9.506 -0.461 1.00 0.55 H new ATOM 539 N ALA A 37 2.596 7.377 -1.145 1.00 0.41 N ATOM 540 CA ALA A 37 2.665 5.936 -1.333 1.00 0.35 C ATOM 541 C ALA A 37 3.465 5.585 -2.584 1.00 0.41 C ATOM 542 O ALA A 37 3.340 6.258 -3.610 1.00 0.48 O ATOM 543 CB ALA A 37 1.252 5.353 -1.370 1.00 0.42 C ATOM 0 H ALA A 37 2.749 7.910 -2.001 1.00 0.41 H new ATOM 0 HA ALA A 37 3.192 5.489 -0.490 1.00 0.35 H new ATOM 0 HB1 ALA A 37 1.307 4.274 -1.511 1.00 0.42 H new ATOM 0 HB2 ALA A 37 0.744 5.571 -0.431 1.00 0.42 H new ATOM 0 HB3 ALA A 37 0.696 5.799 -2.195 1.00 0.42 H new ATOM 549 N ASN A 38 4.307 4.549 -2.508 1.00 0.39 N ATOM 550 CA ASN A 38 5.371 4.328 -3.475 1.00 0.46 C ATOM 551 C ASN A 38 5.591 2.824 -3.547 1.00 0.39 C ATOM 552 O ASN A 38 6.209 2.233 -2.661 1.00 0.43 O ATOM 553 CB ASN A 38 6.686 5.053 -3.099 1.00 0.51 C ATOM 554 CG ASN A 38 6.697 5.784 -1.756 1.00 0.52 C ATOM 555 OD1 ASN A 38 6.935 6.985 -1.698 1.00 0.67 O ATOM 556 ND2 ASN A 38 6.452 5.071 -0.662 1.00 0.47 N ATOM 0 H ASN A 38 4.265 3.844 -1.772 1.00 0.39 H new ATOM 0 HA ASN A 38 5.076 4.741 -4.440 1.00 0.46 H new ATOM 0 HB2 ASN A 38 7.492 4.319 -3.096 1.00 0.51 H new ATOM 0 HB3 ASN A 38 6.915 5.775 -3.883 1.00 0.51 H new ATOM 0 HD21 ASN A 38 6.459 5.522 0.253 1.00 0.47 H new ATOM 0 HD22 ASN A 38 6.257 4.073 -0.737 1.00 0.47 H new ATOM 563 N VAL A 39 5.074 2.199 -4.605 1.00 0.34 N ATOM 564 CA VAL A 39 5.206 0.764 -4.771 1.00 0.29 C ATOM 565 C VAL A 39 6.579 0.415 -5.376 1.00 0.24 C ATOM 566 O VAL A 39 6.829 0.635 -6.559 1.00 0.44 O ATOM 567 CB VAL A 39 4.001 0.230 -5.560 1.00 0.38 C ATOM 568 CG1 VAL A 39 3.839 0.800 -6.977 1.00 0.61 C ATOM 569 CG2 VAL A 39 4.060 -1.291 -5.619 1.00 0.45 C ATOM 0 H VAL A 39 4.563 2.667 -5.353 1.00 0.34 H new ATOM 0 HA VAL A 39 5.187 0.258 -3.806 1.00 0.29 H new ATOM 0 HB VAL A 39 3.123 0.572 -5.012 1.00 0.38 H new ATOM 0 HG11 VAL A 39 2.960 0.360 -7.448 1.00 0.61 H new ATOM 0 HG12 VAL A 39 3.718 1.882 -6.922 1.00 0.61 H new ATOM 0 HG13 VAL A 39 4.724 0.564 -7.568 1.00 0.61 H new ATOM 0 HG21 VAL A 39 3.204 -1.667 -6.179 1.00 0.45 H new ATOM 0 HG22 VAL A 39 4.981 -1.601 -6.113 1.00 0.45 H new ATOM 0 HG23 VAL A 39 4.037 -1.696 -4.607 1.00 0.45 H new ATOM 579 N ASN A 40 7.496 -0.142 -4.580 1.00 0.30 N ATOM 580 CA ASN A 40 8.828 -0.524 -5.047 1.00 0.28 C ATOM 581 C ASN A 40 8.780 -1.921 -5.687 1.00 0.26 C ATOM 582 O ASN A 40 9.511 -2.846 -5.314 1.00 0.32 O ATOM 583 CB ASN A 40 9.812 -0.445 -3.874 1.00 0.40 C ATOM 584 CG ASN A 40 11.254 -0.698 -4.309 1.00 0.58 C ATOM 585 OD1 ASN A 40 11.563 -0.748 -5.496 1.00 0.62 O ATOM 586 ND2 ASN A 40 12.156 -0.854 -3.346 1.00 0.93 N ATOM 0 H ASN A 40 7.334 -0.340 -3.593 1.00 0.30 H new ATOM 0 HA ASN A 40 9.175 0.164 -5.818 1.00 0.28 H new ATOM 0 HB2 ASN A 40 9.742 0.539 -3.410 1.00 0.40 H new ATOM 0 HB3 ASN A 40 9.530 -1.176 -3.116 1.00 0.40 H new ATOM 0 HD21 ASN A 40 13.134 -1.020 -3.585 1.00 0.93 H new ATOM 0 HD22 ASN A 40 11.871 -0.808 -2.368 1.00 0.93 H new ATOM 593 N LEU A 41 7.921 -2.059 -6.698 1.00 0.31 N ATOM 594 CA LEU A 41 7.788 -3.291 -7.472 1.00 0.41 C ATOM 595 C LEU A 41 8.968 -3.450 -8.427 1.00 0.66 C ATOM 596 O LEU A 41 9.222 -4.547 -8.915 1.00 0.92 O ATOM 597 CB LEU A 41 6.447 -3.310 -8.217 1.00 0.48 C ATOM 598 CG LEU A 41 5.497 -4.422 -7.740 1.00 0.44 C ATOM 599 CD1 LEU A 41 5.918 -5.783 -8.300 1.00 0.75 C ATOM 600 CD2 LEU A 41 5.363 -4.531 -6.212 1.00 0.89 C ATOM 0 H LEU A 41 7.295 -1.314 -7.004 1.00 0.31 H new ATOM 0 HA LEU A 41 7.800 -4.142 -6.791 1.00 0.41 H new ATOM 0 HB2 LEU A 41 5.956 -2.345 -8.091 1.00 0.48 H new ATOM 0 HB3 LEU A 41 6.634 -3.435 -9.283 1.00 0.48 H new ATOM 0 HG LEU A 41 4.519 -4.134 -8.126 1.00 0.44 H new ATOM 0 HD11 LEU A 41 5.229 -6.551 -7.947 1.00 0.75 H new ATOM 0 HD12 LEU A 41 5.897 -5.750 -9.389 1.00 0.75 H new ATOM 0 HD13 LEU A 41 6.927 -6.019 -7.963 1.00 0.75 H new ATOM 0 HD21 LEU A 41 4.675 -5.339 -5.964 1.00 0.89 H new ATOM 0 HD22 LEU A 41 6.340 -4.739 -5.775 1.00 0.89 H new ATOM 0 HD23 LEU A 41 4.979 -3.592 -5.813 1.00 0.89 H new ATOM 612 N ALA A 42 9.710 -2.362 -8.658 1.00 0.69 N ATOM 613 CA ALA A 42 11.003 -2.392 -9.326 1.00 0.92 C ATOM 614 C ALA A 42 11.887 -3.516 -8.781 1.00 0.99 C ATOM 615 O ALA A 42 12.612 -4.133 -9.557 1.00 1.27 O ATOM 616 CB ALA A 42 11.704 -1.043 -9.166 1.00 0.89 C ATOM 0 H ALA A 42 9.419 -1.425 -8.380 1.00 0.69 H new ATOM 0 HA ALA A 42 10.833 -2.586 -10.385 1.00 0.92 H new ATOM 0 HB1 ALA A 42 12.671 -1.073 -9.669 1.00 0.89 H new ATOM 0 HB2 ALA A 42 11.090 -0.259 -9.609 1.00 0.89 H new ATOM 0 HB3 ALA A 42 11.852 -0.833 -8.107 1.00 0.89 H new ATOM 622 N THR A 43 11.827 -3.775 -7.464 1.00 0.83 N ATOM 623 CA THR A 43 12.377 -5.002 -6.902 1.00 1.12 C ATOM 624 C THR A 43 11.262 -6.032 -6.687 1.00 1.67 C ATOM 625 O THR A 43 11.257 -7.025 -7.406 1.00 3.56 O ATOM 626 CB THR A 43 13.298 -4.727 -5.698 1.00 0.95 C ATOM 627 OG1 THR A 43 13.960 -5.908 -5.298 1.00 1.37 O ATOM 628 CG2 THR A 43 12.618 -4.125 -4.467 1.00 1.11 C ATOM 0 H THR A 43 11.404 -3.149 -6.779 1.00 0.83 H new ATOM 0 HA THR A 43 13.054 -5.468 -7.618 1.00 1.12 H new ATOM 0 HB THR A 43 13.993 -3.974 -6.069 1.00 0.95 H new ATOM 0 HG1 THR A 43 14.542 -5.714 -4.534 1.00 1.37 H new ATOM 0 HG21 THR A 43 13.357 -3.973 -3.681 1.00 1.11 H new ATOM 0 HG22 THR A 43 12.167 -3.168 -4.732 1.00 1.11 H new ATOM 0 HG23 THR A 43 11.844 -4.804 -4.110 1.00 1.11 H new ATOM 636 N GLU A 44 10.342 -5.789 -5.739 1.00 0.35 N ATOM 637 CA GLU A 44 9.228 -6.663 -5.319 1.00 0.40 C ATOM 638 C GLU A 44 8.722 -6.272 -3.913 1.00 0.43 C ATOM 639 O GLU A 44 8.462 -7.123 -3.065 1.00 0.66 O ATOM 640 CB GLU A 44 9.601 -8.163 -5.377 1.00 0.47 C ATOM 641 CG GLU A 44 8.960 -8.890 -6.571 1.00 0.68 C ATOM 642 CD GLU A 44 9.275 -10.382 -6.553 1.00 1.53 C ATOM 643 OE1 GLU A 44 8.931 -11.017 -5.532 1.00 2.29 O ATOM 644 OE2 GLU A 44 9.835 -10.866 -7.560 1.00 2.86 O ATOM 0 H GLU A 44 10.356 -4.918 -5.208 1.00 0.35 H new ATOM 0 HA GLU A 44 8.418 -6.512 -6.033 1.00 0.40 H new ATOM 0 HB2 GLU A 44 10.685 -8.261 -5.437 1.00 0.47 H new ATOM 0 HB3 GLU A 44 9.288 -8.647 -4.452 1.00 0.47 H new ATOM 0 HG2 GLU A 44 7.880 -8.745 -6.549 1.00 0.68 H new ATOM 0 HG3 GLU A 44 9.322 -8.452 -7.501 1.00 0.68 H new ATOM 651 N THR A 45 8.569 -4.979 -3.640 1.00 0.36 N ATOM 652 CA THR A 45 8.272 -4.459 -2.314 1.00 0.34 C ATOM 653 C THR A 45 7.307 -3.275 -2.452 1.00 0.23 C ATOM 654 O THR A 45 7.172 -2.716 -3.536 1.00 0.26 O ATOM 655 CB THR A 45 9.628 -4.081 -1.698 1.00 0.45 C ATOM 656 OG1 THR A 45 10.432 -5.237 -1.563 1.00 0.84 O ATOM 657 CG2 THR A 45 9.521 -3.394 -0.344 1.00 0.49 C ATOM 0 H THR A 45 8.650 -4.251 -4.350 1.00 0.36 H new ATOM 0 HA THR A 45 7.775 -5.177 -1.662 1.00 0.34 H new ATOM 0 HB THR A 45 10.079 -3.363 -2.383 1.00 0.45 H new ATOM 0 HG1 THR A 45 9.947 -5.915 -1.048 1.00 0.84 H new ATOM 0 HG21 THR A 45 10.519 -3.159 0.025 1.00 0.49 H new ATOM 0 HG22 THR A 45 8.946 -2.474 -0.447 1.00 0.49 H new ATOM 0 HG23 THR A 45 9.020 -4.057 0.362 1.00 0.49 H new ATOM 665 N VAL A 46 6.627 -2.873 -1.377 1.00 0.22 N ATOM 666 CA VAL A 46 5.800 -1.669 -1.348 1.00 0.19 C ATOM 667 C VAL A 46 6.245 -0.789 -0.183 1.00 0.23 C ATOM 668 O VAL A 46 6.643 -1.333 0.849 1.00 0.30 O ATOM 669 CB VAL A 46 4.311 -2.052 -1.272 1.00 0.26 C ATOM 670 CG1 VAL A 46 4.027 -3.100 -0.195 1.00 0.30 C ATOM 671 CG2 VAL A 46 3.424 -0.838 -0.990 1.00 0.45 C ATOM 0 H VAL A 46 6.636 -3.381 -0.493 1.00 0.22 H new ATOM 0 HA VAL A 46 5.927 -1.095 -2.266 1.00 0.19 H new ATOM 0 HB VAL A 46 4.076 -2.469 -2.251 1.00 0.26 H new ATOM 0 HG11 VAL A 46 2.962 -3.333 -0.186 1.00 0.30 H new ATOM 0 HG12 VAL A 46 4.594 -4.006 -0.410 1.00 0.30 H new ATOM 0 HG13 VAL A 46 4.322 -2.710 0.779 1.00 0.30 H new ATOM 0 HG21 VAL A 46 2.381 -1.152 -0.944 1.00 0.45 H new ATOM 0 HG22 VAL A 46 3.711 -0.391 -0.038 1.00 0.45 H new ATOM 0 HG23 VAL A 46 3.547 -0.104 -1.787 1.00 0.45 H new ATOM 681 N ASN A 47 6.176 0.545 -0.338 1.00 0.24 N ATOM 682 CA ASN A 47 6.383 1.488 0.749 1.00 0.23 C ATOM 683 C ASN A 47 5.194 2.438 0.781 1.00 0.24 C ATOM 684 O ASN A 47 4.708 2.827 -0.283 1.00 0.31 O ATOM 685 CB ASN A 47 7.673 2.292 0.544 1.00 0.27 C ATOM 686 CG ASN A 47 8.919 1.570 1.034 1.00 0.35 C ATOM 687 OD1 ASN A 47 9.774 1.178 0.245 1.00 0.47 O ATOM 688 ND2 ASN A 47 9.057 1.436 2.349 1.00 0.37 N ATOM 0 H ASN A 47 5.973 0.991 -1.232 1.00 0.24 H new ATOM 0 HA ASN A 47 6.473 0.942 1.688 1.00 0.23 H new ATOM 0 HB2 ASN A 47 7.787 2.518 -0.516 1.00 0.27 H new ATOM 0 HB3 ASN A 47 7.585 3.245 1.066 1.00 0.27 H new ATOM 0 HD21 ASN A 47 9.894 0.996 2.732 1.00 0.37 H new ATOM 0 HD22 ASN A 47 8.326 1.773 2.975 1.00 0.37 H new ATOM 695 N VAL A 48 4.750 2.853 1.969 1.00 0.25 N ATOM 696 CA VAL A 48 3.581 3.696 2.127 1.00 0.26 C ATOM 697 C VAL A 48 3.897 4.705 3.226 1.00 0.22 C ATOM 698 O VAL A 48 4.377 4.313 4.292 1.00 0.22 O ATOM 699 CB VAL A 48 2.325 2.842 2.371 1.00 0.29 C ATOM 700 CG1 VAL A 48 2.439 1.933 3.602 1.00 1.74 C ATOM 701 CG2 VAL A 48 1.080 3.732 2.443 1.00 1.62 C ATOM 0 H VAL A 48 5.201 2.607 2.850 1.00 0.25 H new ATOM 0 HA VAL A 48 3.349 4.255 1.220 1.00 0.26 H new ATOM 0 HB VAL A 48 2.228 2.170 1.518 1.00 0.29 H new ATOM 0 HG11 VAL A 48 1.520 1.359 3.716 1.00 1.74 H new ATOM 0 HG12 VAL A 48 3.280 1.251 3.474 1.00 1.74 H new ATOM 0 HG13 VAL A 48 2.599 2.543 4.491 1.00 1.74 H new ATOM 0 HG21 VAL A 48 0.200 3.113 2.616 1.00 1.62 H new ATOM 0 HG22 VAL A 48 1.189 4.445 3.261 1.00 1.62 H new ATOM 0 HG23 VAL A 48 0.964 4.273 1.504 1.00 1.62 H new ATOM 711 N ILE A 49 3.707 5.989 2.910 1.00 0.24 N ATOM 712 CA ILE A 49 4.058 7.130 3.735 1.00 0.23 C ATOM 713 C ILE A 49 2.761 7.653 4.355 1.00 0.19 C ATOM 714 O ILE A 49 2.057 8.481 3.757 1.00 0.26 O ATOM 715 CB ILE A 49 4.761 8.220 2.894 1.00 0.30 C ATOM 716 CG1 ILE A 49 5.842 7.658 1.959 1.00 0.47 C ATOM 717 CG2 ILE A 49 5.350 9.305 3.808 1.00 0.34 C ATOM 718 CD1 ILE A 49 6.871 6.834 2.727 1.00 0.51 C ATOM 0 H ILE A 49 3.282 6.266 2.025 1.00 0.24 H new ATOM 0 HA ILE A 49 4.760 6.842 4.517 1.00 0.23 H new ATOM 0 HB ILE A 49 3.997 8.661 2.254 1.00 0.30 H new ATOM 0 HG12 ILE A 49 5.376 7.038 1.193 1.00 0.47 H new ATOM 0 HG13 ILE A 49 6.342 8.478 1.444 1.00 0.47 H new ATOM 0 HG21 ILE A 49 5.842 10.065 3.201 1.00 0.34 H new ATOM 0 HG22 ILE A 49 4.550 9.765 4.388 1.00 0.34 H new ATOM 0 HG23 ILE A 49 6.077 8.856 4.485 1.00 0.34 H new ATOM 0 HD11 ILE A 49 7.621 6.452 2.035 1.00 0.51 H new ATOM 0 HD12 ILE A 49 7.355 7.462 3.475 1.00 0.51 H new ATOM 0 HD13 ILE A 49 6.374 5.999 3.220 1.00 0.51 H new ATOM 730 N TYR A 50 2.420 7.127 5.533 1.00 0.24 N ATOM 731 CA TYR A 50 1.159 7.435 6.182 1.00 0.25 C ATOM 732 C TYR A 50 1.358 7.869 7.612 1.00 0.27 C ATOM 733 O TYR A 50 2.416 7.668 8.201 1.00 0.38 O ATOM 734 CB TYR A 50 0.183 6.258 6.106 1.00 0.27 C ATOM 735 CG TYR A 50 0.513 4.997 6.895 1.00 0.33 C ATOM 736 CD1 TYR A 50 0.442 4.987 8.304 1.00 1.56 C ATOM 737 CD2 TYR A 50 0.626 3.773 6.213 1.00 1.69 C ATOM 738 CE1 TYR A 50 0.532 3.781 9.014 1.00 1.62 C ATOM 739 CE2 TYR A 50 0.632 2.560 6.918 1.00 1.70 C ATOM 740 CZ TYR A 50 0.582 2.565 8.320 1.00 0.59 C ATOM 741 OH TYR A 50 0.503 1.387 9.001 1.00 0.77 O ATOM 0 H TYR A 50 3.011 6.480 6.055 1.00 0.24 H new ATOM 0 HA TYR A 50 0.721 8.271 5.637 1.00 0.25 H new ATOM 0 HB2 TYR A 50 -0.793 6.613 6.438 1.00 0.27 H new ATOM 0 HB3 TYR A 50 0.081 5.978 5.058 1.00 0.27 H new ATOM 0 HD1 TYR A 50 0.317 5.916 8.840 1.00 1.56 H new ATOM 0 HD2 TYR A 50 0.709 3.766 5.136 1.00 1.69 H new ATOM 0 HE1 TYR A 50 0.563 3.790 10.094 1.00 1.62 H new ATOM 0 HE2 TYR A 50 0.675 1.623 6.382 1.00 1.70 H new ATOM 0 HH TYR A 50 0.885 1.500 9.896 1.00 0.77 H new ATOM 751 N ASP A 51 0.292 8.428 8.162 1.00 0.29 N ATOM 752 CA ASP A 51 0.293 9.051 9.465 1.00 0.35 C ATOM 753 C ASP A 51 -0.202 8.046 10.502 1.00 0.41 C ATOM 754 O ASP A 51 -1.399 7.737 10.528 1.00 0.49 O ATOM 755 CB ASP A 51 -0.556 10.326 9.452 1.00 0.55 C ATOM 756 CG ASP A 51 -0.122 11.358 8.417 1.00 2.75 C ATOM 757 OD1 ASP A 51 0.732 11.012 7.571 1.00 4.22 O ATOM 758 OD2 ASP A 51 -0.653 12.487 8.491 1.00 3.43 O ATOM 0 H ASP A 51 -0.617 8.459 7.700 1.00 0.29 H new ATOM 0 HA ASP A 51 1.307 9.348 9.732 1.00 0.35 H new ATOM 0 HB2 ASP A 51 -1.595 10.055 9.264 1.00 0.55 H new ATOM 0 HB3 ASP A 51 -0.520 10.783 10.441 1.00 0.55 H new ATOM 763 N PRO A 52 0.677 7.535 11.384 1.00 0.49 N ATOM 764 CA PRO A 52 0.336 6.474 12.318 1.00 0.60 C ATOM 765 C PRO A 52 -0.560 6.955 13.473 1.00 0.75 C ATOM 766 O PRO A 52 -0.710 6.244 14.462 1.00 0.86 O ATOM 767 CB PRO A 52 1.682 5.936 12.817 1.00 0.71 C ATOM 768 CG PRO A 52 2.560 7.183 12.798 1.00 0.72 C ATOM 769 CD PRO A 52 2.080 7.897 11.537 1.00 0.53 C ATOM 0 HA PRO A 52 -0.258 5.700 11.832 1.00 0.60 H new ATOM 0 HB2 PRO A 52 1.604 5.510 13.817 1.00 0.71 H new ATOM 0 HB3 PRO A 52 2.073 5.154 12.167 1.00 0.71 H new ATOM 0 HG2 PRO A 52 2.419 7.793 13.690 1.00 0.72 H new ATOM 0 HG3 PRO A 52 3.620 6.934 12.746 1.00 0.72 H new ATOM 0 HD2 PRO A 52 2.197 8.977 11.631 1.00 0.53 H new ATOM 0 HD3 PRO A 52 2.660 7.588 10.668 1.00 0.53 H new ATOM 777 N ALA A 53 -1.152 8.150 13.362 1.00 0.84 N ATOM 778 CA ALA A 53 -2.228 8.599 14.220 1.00 1.03 C ATOM 779 C ALA A 53 -3.551 8.085 13.657 1.00 0.87 C ATOM 780 O ALA A 53 -4.446 7.738 14.427 1.00 0.93 O ATOM 781 CB ALA A 53 -2.221 10.130 14.270 1.00 1.31 C ATOM 0 H ALA A 53 -0.884 8.836 12.657 1.00 0.84 H new ATOM 0 HA ALA A 53 -2.099 8.215 15.232 1.00 1.03 H new ATOM 0 HB1 ALA A 53 -3.029 10.477 14.914 1.00 1.31 H new ATOM 0 HB2 ALA A 53 -1.267 10.477 14.666 1.00 1.31 H new ATOM 0 HB3 ALA A 53 -2.363 10.528 13.265 1.00 1.31 H new ATOM 787 N GLU A 54 -3.660 8.028 12.321 1.00 0.75 N ATOM 788 CA GLU A 54 -4.919 7.790 11.640 1.00 0.75 C ATOM 789 C GLU A 54 -4.879 6.397 11.012 1.00 0.60 C ATOM 790 O GLU A 54 -5.757 5.574 11.265 1.00 0.70 O ATOM 791 CB GLU A 54 -5.167 8.887 10.588 1.00 0.91 C ATOM 792 CG GLU A 54 -6.399 9.751 10.907 1.00 0.75 C ATOM 793 CD GLU A 54 -6.187 10.726 12.064 1.00 1.87 C ATOM 794 OE1 GLU A 54 -5.064 10.755 12.612 1.00 3.18 O ATOM 795 OE2 GLU A 54 -7.165 11.442 12.366 1.00 2.68 O ATOM 0 H GLU A 54 -2.868 8.148 11.690 1.00 0.75 H new ATOM 0 HA GLU A 54 -5.748 7.830 12.347 1.00 0.75 H new ATOM 0 HB2 GLU A 54 -4.287 9.527 10.523 1.00 0.91 H new ATOM 0 HB3 GLU A 54 -5.297 8.423 9.610 1.00 0.91 H new ATOM 0 HG2 GLU A 54 -6.676 10.314 10.016 1.00 0.75 H new ATOM 0 HG3 GLU A 54 -7.238 9.097 11.145 1.00 0.75 H new ATOM 802 N THR A 55 -3.852 6.127 10.197 1.00 0.45 N ATOM 803 CA THR A 55 -3.478 4.772 9.828 1.00 0.38 C ATOM 804 C THR A 55 -2.531 4.154 10.845 1.00 0.31 C ATOM 805 O THR A 55 -2.347 4.679 11.939 1.00 0.45 O ATOM 806 CB THR A 55 -3.103 4.649 8.341 1.00 0.43 C ATOM 807 OG1 THR A 55 -2.502 5.836 7.914 1.00 0.46 O ATOM 808 CG2 THR A 55 -4.390 4.492 7.541 1.00 0.57 C ATOM 0 H THR A 55 -3.262 6.847 9.779 1.00 0.45 H new ATOM 0 HA THR A 55 -4.356 4.129 9.891 1.00 0.38 H new ATOM 0 HB THR A 55 -2.429 3.803 8.202 1.00 0.43 H new ATOM 0 HG1 THR A 55 -1.533 5.778 8.048 1.00 0.46 H new ATOM 0 HG21 THR A 55 -4.151 4.403 6.481 1.00 0.57 H new ATOM 0 HG22 THR A 55 -4.917 3.597 7.871 1.00 0.57 H new ATOM 0 HG23 THR A 55 -5.024 5.364 7.698 1.00 0.57 H new ATOM 816 N GLY A 56 -2.039 2.961 10.523 1.00 0.44 N ATOM 817 CA GLY A 56 -1.670 1.967 11.500 1.00 0.59 C ATOM 818 C GLY A 56 -2.389 0.714 11.028 1.00 1.06 C ATOM 819 O GLY A 56 -3.511 0.470 11.451 1.00 2.36 O ATOM 0 H GLY A 56 -1.887 2.663 9.559 1.00 0.44 H new ATOM 0 HA2 GLY A 56 -0.590 1.820 11.534 1.00 0.59 H new ATOM 0 HA3 GLY A 56 -1.984 2.255 12.503 1.00 0.59 H new ATOM 823 N THR A 57 -1.703 -0.038 10.160 1.00 0.47 N ATOM 824 CA THR A 57 -1.964 -0.906 9.004 1.00 0.59 C ATOM 825 C THR A 57 -3.385 -1.370 8.713 1.00 0.39 C ATOM 826 O THR A 57 -3.666 -1.751 7.578 1.00 0.40 O ATOM 827 CB THR A 57 -1.091 -2.163 9.190 1.00 0.90 C ATOM 828 OG1 THR A 57 -1.273 -2.709 10.483 1.00 1.11 O ATOM 829 CG2 THR A 57 0.402 -1.870 9.029 1.00 1.17 C ATOM 0 H THR A 57 -0.693 -0.045 10.299 1.00 0.47 H new ATOM 0 HA THR A 57 -1.738 -0.273 8.146 1.00 0.59 H new ATOM 0 HB THR A 57 -1.407 -2.862 8.416 1.00 0.90 H new ATOM 0 HG1 THR A 57 -0.713 -3.507 10.583 1.00 1.11 H new ATOM 0 HG21 THR A 57 0.970 -2.789 9.170 1.00 1.17 H new ATOM 0 HG22 THR A 57 0.590 -1.477 8.030 1.00 1.17 H new ATOM 0 HG23 THR A 57 0.711 -1.135 9.772 1.00 1.17 H new ATOM 837 N ALA A 58 -4.274 -1.295 9.690 1.00 0.39 N ATOM 838 CA ALA A 58 -5.707 -1.387 9.564 1.00 0.41 C ATOM 839 C ALA A 58 -6.238 -0.921 8.213 1.00 0.40 C ATOM 840 O ALA A 58 -6.796 -1.723 7.465 1.00 0.41 O ATOM 841 CB ALA A 58 -6.290 -0.525 10.688 1.00 0.50 C ATOM 0 H ALA A 58 -3.985 -1.158 10.659 1.00 0.39 H new ATOM 0 HA ALA A 58 -6.005 -2.433 9.637 1.00 0.41 H new ATOM 0 HB1 ALA A 58 -7.379 -0.556 10.643 1.00 0.50 H new ATOM 0 HB2 ALA A 58 -5.956 -0.909 11.652 1.00 0.50 H new ATOM 0 HB3 ALA A 58 -5.951 0.504 10.570 1.00 0.50 H new ATOM 847 N ALA A 59 -6.055 0.361 7.884 1.00 0.41 N ATOM 848 CA ALA A 59 -6.795 0.892 6.731 1.00 0.40 C ATOM 849 C ALA A 59 -6.207 0.318 5.454 1.00 0.35 C ATOM 850 O ALA A 59 -6.924 -0.054 4.528 1.00 0.35 O ATOM 851 CB ALA A 59 -6.831 2.417 6.668 1.00 0.48 C ATOM 0 H ALA A 59 -5.440 1.018 8.364 1.00 0.41 H new ATOM 0 HA ALA A 59 -7.833 0.581 6.848 1.00 0.40 H new ATOM 0 HB1 ALA A 59 -7.395 2.732 5.790 1.00 0.48 H new ATOM 0 HB2 ALA A 59 -7.310 2.807 7.566 1.00 0.48 H new ATOM 0 HB3 ALA A 59 -5.814 2.803 6.603 1.00 0.48 H new ATOM 857 N ILE A 60 -4.875 0.255 5.443 1.00 0.36 N ATOM 858 CA ILE A 60 -4.098 -0.335 4.381 1.00 0.33 C ATOM 859 C ILE A 60 -4.611 -1.739 4.109 1.00 0.32 C ATOM 860 O ILE A 60 -4.976 -2.022 2.979 1.00 0.33 O ATOM 861 CB ILE A 60 -2.597 -0.255 4.737 1.00 0.34 C ATOM 862 CG1 ILE A 60 -2.042 1.090 4.259 1.00 0.37 C ATOM 863 CG2 ILE A 60 -1.733 -1.338 4.087 1.00 0.36 C ATOM 864 CD1 ILE A 60 -2.487 2.284 5.111 1.00 0.86 C ATOM 0 H ILE A 60 -4.302 0.627 6.200 1.00 0.36 H new ATOM 0 HA ILE A 60 -4.211 0.214 3.446 1.00 0.33 H new ATOM 0 HB ILE A 60 -2.547 -0.388 5.818 1.00 0.34 H new ATOM 0 HG12 ILE A 60 -0.953 1.043 4.258 1.00 0.37 H new ATOM 0 HG13 ILE A 60 -2.355 1.255 3.228 1.00 0.37 H new ATOM 0 HG21 ILE A 60 -0.695 -1.206 4.391 1.00 0.36 H new ATOM 0 HG22 ILE A 60 -2.082 -2.321 4.404 1.00 0.36 H new ATOM 0 HG23 ILE A 60 -1.806 -1.259 3.002 1.00 0.36 H new ATOM 0 HD11 ILE A 60 -2.053 3.200 4.709 1.00 0.86 H new ATOM 0 HD12 ILE A 60 -3.574 2.359 5.092 1.00 0.86 H new ATOM 0 HD13 ILE A 60 -2.151 2.143 6.138 1.00 0.86 H new ATOM 876 N GLN A 61 -4.680 -2.608 5.118 1.00 0.34 N ATOM 877 CA GLN A 61 -5.070 -3.993 4.890 1.00 0.36 C ATOM 878 C GLN A 61 -6.524 -4.036 4.393 1.00 0.38 C ATOM 879 O GLN A 61 -6.831 -4.732 3.423 1.00 0.42 O ATOM 880 CB GLN A 61 -4.888 -4.829 6.163 1.00 0.45 C ATOM 881 CG GLN A 61 -3.831 -5.939 6.035 1.00 0.57 C ATOM 882 CD GLN A 61 -2.388 -5.476 6.244 1.00 0.97 C ATOM 883 OE1 GLN A 61 -2.130 -4.172 6.283 1.00 1.69 O flip ATOM 884 NE2 GLN A 61 -1.489 -6.296 6.388 1.00 1.10 N flip ATOM 0 H GLN A 61 -4.473 -2.378 6.090 1.00 0.34 H new ATOM 0 HA GLN A 61 -4.426 -4.428 4.126 1.00 0.36 H new ATOM 0 HB2 GLN A 61 -4.608 -4.168 6.983 1.00 0.45 H new ATOM 0 HB3 GLN A 61 -5.844 -5.280 6.429 1.00 0.45 H new ATOM 0 HG2 GLN A 61 -4.056 -6.721 6.760 1.00 0.57 H new ATOM 0 HG3 GLN A 61 -3.914 -6.388 5.045 1.00 0.57 H new ATOM 0 HE21 GLN A 61 -1.699 -7.294 6.356 1.00 1.10 H new ATOM 0 HE22 GLN A 61 -0.531 -5.981 6.540 1.00 1.10 H new ATOM 893 N GLU A 62 -7.412 -3.276 5.049 1.00 0.39 N ATOM 894 CA GLU A 62 -8.820 -3.208 4.666 1.00 0.46 C ATOM 895 C GLU A 62 -8.949 -2.883 3.177 1.00 0.46 C ATOM 896 O GLU A 62 -9.606 -3.582 2.403 1.00 0.52 O ATOM 897 CB GLU A 62 -9.565 -2.167 5.529 1.00 0.50 C ATOM 898 CG GLU A 62 -10.838 -2.759 6.148 1.00 0.62 C ATOM 899 CD GLU A 62 -11.818 -3.262 5.097 1.00 1.95 C ATOM 900 OE1 GLU A 62 -12.160 -2.484 4.182 1.00 2.70 O ATOM 901 OE2 GLU A 62 -12.208 -4.445 5.194 1.00 2.93 O ATOM 0 H GLU A 62 -7.172 -2.697 5.854 1.00 0.39 H new ATOM 0 HA GLU A 62 -9.280 -4.181 4.842 1.00 0.46 H new ATOM 0 HB2 GLU A 62 -8.906 -1.810 6.321 1.00 0.50 H new ATOM 0 HB3 GLU A 62 -9.824 -1.303 4.917 1.00 0.50 H new ATOM 0 HG2 GLU A 62 -10.567 -3.581 6.811 1.00 0.62 H new ATOM 0 HG3 GLU A 62 -11.326 -2.002 6.762 1.00 0.62 H new ATOM 908 N LYS A 63 -8.298 -1.801 2.757 1.00 0.42 N ATOM 909 CA LYS A 63 -8.368 -1.359 1.397 1.00 0.47 C ATOM 910 C LYS A 63 -7.626 -2.283 0.451 1.00 0.43 C ATOM 911 O LYS A 63 -8.103 -2.481 -0.656 1.00 0.46 O ATOM 912 CB LYS A 63 -7.841 0.062 1.325 1.00 0.47 C ATOM 913 CG LYS A 63 -8.883 1.091 1.771 1.00 0.58 C ATOM 914 CD LYS A 63 -9.973 1.466 0.743 1.00 0.76 C ATOM 915 CE LYS A 63 -10.980 0.362 0.388 1.00 1.89 C ATOM 916 NZ LYS A 63 -12.227 0.901 -0.192 1.00 2.49 N ATOM 0 H LYS A 63 -7.714 -1.220 3.358 1.00 0.42 H new ATOM 0 HA LYS A 63 -9.408 -1.381 1.070 1.00 0.47 H new ATOM 0 HB2 LYS A 63 -6.954 0.151 1.953 1.00 0.47 H new ATOM 0 HB3 LYS A 63 -7.531 0.281 0.303 1.00 0.47 H new ATOM 0 HG2 LYS A 63 -9.376 0.710 2.666 1.00 0.58 H new ATOM 0 HG3 LYS A 63 -8.359 2.002 2.059 1.00 0.58 H new ATOM 0 HD2 LYS A 63 -10.526 2.323 1.127 1.00 0.76 H new ATOM 0 HD3 LYS A 63 -9.482 1.789 -0.175 1.00 0.76 H new ATOM 0 HE2 LYS A 63 -10.522 -0.329 -0.320 1.00 1.89 H new ATOM 0 HE3 LYS A 63 -11.218 -0.211 1.284 1.00 1.89 H new ATOM 0 HZ1 LYS A 63 -12.874 0.117 -0.414 1.00 2.49 H new ATOM 0 HZ2 LYS A 63 -12.680 1.540 0.492 1.00 2.49 H new ATOM 0 HZ3 LYS A 63 -12.007 1.426 -1.063 1.00 2.49 H new ATOM 930 N ILE A 64 -6.485 -2.833 0.857 1.00 0.37 N ATOM 931 CA ILE A 64 -5.706 -3.777 0.085 1.00 0.33 C ATOM 932 C ILE A 64 -6.659 -4.857 -0.459 1.00 0.33 C ATOM 933 O ILE A 64 -6.713 -5.099 -1.666 1.00 0.33 O ATOM 934 CB ILE A 64 -4.595 -4.327 0.991 1.00 0.32 C ATOM 935 CG1 ILE A 64 -3.329 -3.467 0.898 1.00 0.35 C ATOM 936 CG2 ILE A 64 -4.311 -5.811 0.794 1.00 0.30 C ATOM 937 CD1 ILE A 64 -2.567 -3.654 -0.407 1.00 0.40 C ATOM 0 H ILE A 64 -6.069 -2.622 1.764 1.00 0.37 H new ATOM 0 HA ILE A 64 -5.220 -3.321 -0.778 1.00 0.33 H new ATOM 0 HB ILE A 64 -4.972 -4.255 2.011 1.00 0.32 H new ATOM 0 HG12 ILE A 64 -3.603 -2.417 1.003 1.00 0.35 H new ATOM 0 HG13 ILE A 64 -2.671 -3.710 1.733 1.00 0.35 H new ATOM 0 HG21 ILE A 64 -3.515 -6.122 1.470 1.00 0.30 H new ATOM 0 HG22 ILE A 64 -5.213 -6.385 1.007 1.00 0.30 H new ATOM 0 HG23 ILE A 64 -4.002 -5.989 -0.236 1.00 0.30 H new ATOM 0 HD11 ILE A 64 -1.683 -3.017 -0.407 1.00 0.40 H new ATOM 0 HD12 ILE A 64 -2.263 -4.696 -0.505 1.00 0.40 H new ATOM 0 HD13 ILE A 64 -3.209 -3.383 -1.245 1.00 0.40 H new ATOM 949 N GLU A 65 -7.457 -5.448 0.441 1.00 0.34 N ATOM 950 CA GLU A 65 -8.502 -6.403 0.090 1.00 0.35 C ATOM 951 C GLU A 65 -9.448 -5.812 -0.955 1.00 0.34 C ATOM 952 O GLU A 65 -9.595 -6.357 -2.045 1.00 0.36 O ATOM 953 CB GLU A 65 -9.286 -6.793 1.350 1.00 0.40 C ATOM 954 CG GLU A 65 -8.603 -7.905 2.155 1.00 0.58 C ATOM 955 CD GLU A 65 -9.249 -9.257 1.879 1.00 1.08 C ATOM 956 OE1 GLU A 65 -10.469 -9.352 2.142 1.00 2.55 O ATOM 957 OE2 GLU A 65 -8.524 -10.157 1.403 1.00 1.43 O ATOM 0 H GLU A 65 -7.389 -5.270 1.443 1.00 0.34 H new ATOM 0 HA GLU A 65 -8.036 -7.291 -0.337 1.00 0.35 H new ATOM 0 HB2 GLU A 65 -9.407 -5.914 1.983 1.00 0.40 H new ATOM 0 HB3 GLU A 65 -10.286 -7.120 1.064 1.00 0.40 H new ATOM 0 HG2 GLU A 65 -7.544 -7.945 1.900 1.00 0.58 H new ATOM 0 HG3 GLU A 65 -8.666 -7.679 3.219 1.00 0.58 H new ATOM 964 N LYS A 66 -10.115 -4.700 -0.629 1.00 0.35 N ATOM 965 CA LYS A 66 -11.166 -4.144 -1.483 1.00 0.42 C ATOM 966 C LYS A 66 -10.637 -3.686 -2.852 1.00 0.40 C ATOM 967 O LYS A 66 -11.368 -3.711 -3.838 1.00 0.46 O ATOM 968 CB LYS A 66 -11.904 -3.016 -0.745 1.00 0.56 C ATOM 969 CG LYS A 66 -13.095 -3.529 0.080 1.00 0.76 C ATOM 970 CD LYS A 66 -12.654 -4.374 1.282 1.00 2.59 C ATOM 971 CE LYS A 66 -13.860 -4.934 2.045 1.00 3.30 C ATOM 972 NZ LYS A 66 -13.433 -5.673 3.249 1.00 5.20 N ATOM 0 H LYS A 66 -9.944 -4.167 0.223 1.00 0.35 H new ATOM 0 HA LYS A 66 -11.878 -4.942 -1.695 1.00 0.42 H new ATOM 0 HB2 LYS A 66 -11.206 -2.500 -0.086 1.00 0.56 H new ATOM 0 HB3 LYS A 66 -12.258 -2.283 -1.470 1.00 0.56 H new ATOM 0 HG2 LYS A 66 -13.682 -2.681 0.432 1.00 0.76 H new ATOM 0 HG3 LYS A 66 -13.747 -4.124 -0.559 1.00 0.76 H new ATOM 0 HD2 LYS A 66 -12.025 -5.196 0.940 1.00 2.59 H new ATOM 0 HD3 LYS A 66 -12.047 -3.766 1.953 1.00 2.59 H new ATOM 0 HE2 LYS A 66 -14.523 -4.118 2.332 1.00 3.30 H new ATOM 0 HE3 LYS A 66 -14.431 -5.595 1.393 1.00 3.30 H new ATOM 0 HZ1 LYS A 66 -14.208 -6.287 3.573 1.00 5.20 H new ATOM 0 HZ2 LYS A 66 -12.602 -6.255 3.022 1.00 5.20 H new ATOM 0 HZ3 LYS A 66 -13.188 -4.998 4.002 1.00 5.20 H new ATOM 986 N LEU A 67 -9.374 -3.268 -2.915 1.00 0.39 N ATOM 987 CA LEU A 67 -8.654 -2.936 -4.138 1.00 0.43 C ATOM 988 C LEU A 67 -8.362 -4.197 -4.965 1.00 0.42 C ATOM 989 O LEU A 67 -8.069 -4.092 -6.154 1.00 0.48 O ATOM 990 CB LEU A 67 -7.368 -2.170 -3.793 1.00 0.47 C ATOM 991 CG LEU A 67 -7.665 -0.756 -3.257 1.00 0.61 C ATOM 992 CD1 LEU A 67 -6.487 -0.242 -2.428 1.00 0.65 C ATOM 993 CD2 LEU A 67 -7.928 0.234 -4.401 1.00 0.75 C ATOM 0 H LEU A 67 -8.803 -3.147 -2.079 1.00 0.39 H new ATOM 0 HA LEU A 67 -9.280 -2.291 -4.754 1.00 0.43 H new ATOM 0 HB2 LEU A 67 -6.802 -2.729 -3.048 1.00 0.47 H new ATOM 0 HB3 LEU A 67 -6.740 -2.097 -4.681 1.00 0.47 H new ATOM 0 HG LEU A 67 -8.558 -0.827 -2.636 1.00 0.61 H new ATOM 0 HD11 LEU A 67 -6.712 0.758 -2.057 1.00 0.65 H new ATOM 0 HD12 LEU A 67 -6.315 -0.912 -1.586 1.00 0.65 H new ATOM 0 HD13 LEU A 67 -5.593 -0.205 -3.050 1.00 0.65 H new ATOM 0 HD21 LEU A 67 -8.134 1.221 -3.988 1.00 0.75 H new ATOM 0 HD22 LEU A 67 -7.051 0.286 -5.046 1.00 0.75 H new ATOM 0 HD23 LEU A 67 -8.786 -0.102 -4.983 1.00 0.75 H new ATOM 1005 N GLY A 68 -8.432 -5.379 -4.344 1.00 0.38 N ATOM 1006 CA GLY A 68 -8.282 -6.671 -4.993 1.00 0.39 C ATOM 1007 C GLY A 68 -6.847 -7.173 -4.882 1.00 0.37 C ATOM 1008 O GLY A 68 -6.323 -7.736 -5.841 1.00 0.39 O ATOM 0 H GLY A 68 -8.601 -5.457 -3.341 1.00 0.38 H new ATOM 0 HA2 GLY A 68 -8.960 -7.392 -4.537 1.00 0.39 H new ATOM 0 HA3 GLY A 68 -8.563 -6.590 -6.043 1.00 0.39 H new ATOM 1012 N TYR A 69 -6.204 -6.959 -3.729 1.00 0.38 N ATOM 1013 CA TYR A 69 -4.793 -7.250 -3.528 1.00 0.36 C ATOM 1014 C TYR A 69 -4.535 -7.903 -2.174 1.00 0.32 C ATOM 1015 O TYR A 69 -5.440 -8.052 -1.357 1.00 0.35 O ATOM 1016 CB TYR A 69 -3.998 -5.951 -3.674 1.00 0.38 C ATOM 1017 CG TYR A 69 -3.203 -5.934 -4.955 1.00 0.39 C ATOM 1018 CD1 TYR A 69 -3.849 -5.697 -6.180 1.00 1.94 C ATOM 1019 CD2 TYR A 69 -1.830 -6.222 -4.929 1.00 1.76 C ATOM 1020 CE1 TYR A 69 -3.103 -5.643 -7.366 1.00 2.03 C ATOM 1021 CE2 TYR A 69 -1.078 -6.103 -6.105 1.00 1.69 C ATOM 1022 CZ TYR A 69 -1.711 -5.822 -7.327 1.00 0.53 C ATOM 1023 OH TYR A 69 -0.974 -5.710 -8.468 1.00 0.63 O ATOM 0 H TYR A 69 -6.661 -6.574 -2.903 1.00 0.38 H new ATOM 0 HA TYR A 69 -4.469 -7.966 -4.283 1.00 0.36 H new ATOM 0 HB2 TYR A 69 -4.680 -5.101 -3.656 1.00 0.38 H new ATOM 0 HB3 TYR A 69 -3.325 -5.837 -2.824 1.00 0.38 H new ATOM 0 HD1 TYR A 69 -4.919 -5.557 -6.208 1.00 1.94 H new ATOM 0 HD2 TYR A 69 -1.357 -6.533 -4.009 1.00 1.76 H new ATOM 0 HE1 TYR A 69 -3.599 -5.464 -8.309 1.00 2.03 H new ATOM 0 HE2 TYR A 69 -0.006 -6.228 -6.072 1.00 1.69 H new ATOM 0 HH TYR A 69 -1.408 -5.076 -9.077 1.00 0.63 H new ATOM 1033 N HIS A 70 -3.275 -8.289 -1.951 1.00 0.30 N ATOM 1034 CA HIS A 70 -2.816 -8.991 -0.765 1.00 0.31 C ATOM 1035 C HIS A 70 -1.341 -8.633 -0.560 1.00 0.37 C ATOM 1036 O HIS A 70 -0.500 -9.049 -1.356 1.00 0.73 O ATOM 1037 CB HIS A 70 -3.027 -10.495 -1.013 1.00 0.50 C ATOM 1038 CG HIS A 70 -2.725 -11.422 0.141 1.00 1.05 C ATOM 1039 ND1 HIS A 70 -1.645 -11.370 0.993 1.00 2.15 N ATOM 1040 CD2 HIS A 70 -3.414 -12.571 0.432 1.00 2.00 C ATOM 1041 CE1 HIS A 70 -1.693 -12.454 1.784 1.00 2.39 C ATOM 1042 NE2 HIS A 70 -2.750 -13.221 1.477 1.00 2.23 N ATOM 0 H HIS A 70 -2.526 -8.111 -2.620 1.00 0.30 H new ATOM 0 HA HIS A 70 -3.361 -8.713 0.137 1.00 0.31 H new ATOM 0 HB2 HIS A 70 -4.064 -10.649 -1.310 1.00 0.50 H new ATOM 0 HB3 HIS A 70 -2.406 -10.791 -1.859 1.00 0.50 H new ATOM 0 HD1 HIS A 70 -0.935 -10.638 1.019 1.00 2.15 H new ATOM 0 HD2 HIS A 70 -4.312 -12.914 -0.060 1.00 2.00 H new ATOM 0 HE1 HIS A 70 -0.978 -12.678 2.562 1.00 2.39 H new ATOM 1050 N VAL A 71 -1.006 -7.884 0.496 1.00 0.34 N ATOM 1051 CA VAL A 71 0.376 -7.678 0.899 1.00 0.45 C ATOM 1052 C VAL A 71 0.826 -8.866 1.745 1.00 0.60 C ATOM 1053 O VAL A 71 -0.013 -9.603 2.258 1.00 0.85 O ATOM 1054 CB VAL A 71 0.540 -6.359 1.669 1.00 0.67 C ATOM 1055 CG1 VAL A 71 0.526 -5.170 0.707 1.00 2.36 C ATOM 1056 CG2 VAL A 71 -0.463 -6.157 2.813 1.00 2.05 C ATOM 0 H VAL A 71 -1.687 -7.409 1.088 1.00 0.34 H new ATOM 0 HA VAL A 71 1.003 -7.608 0.010 1.00 0.45 H new ATOM 0 HB VAL A 71 1.513 -6.423 2.156 1.00 0.67 H new ATOM 0 HG11 VAL A 71 0.643 -4.244 1.271 1.00 2.36 H new ATOM 0 HG12 VAL A 71 1.346 -5.268 -0.004 1.00 2.36 H new ATOM 0 HG13 VAL A 71 -0.421 -5.149 0.168 1.00 2.36 H new ATOM 0 HG21 VAL A 71 -0.272 -5.201 3.300 1.00 2.05 H new ATOM 0 HG22 VAL A 71 -1.477 -6.165 2.413 1.00 2.05 H new ATOM 0 HG23 VAL A 71 -0.353 -6.962 3.540 1.00 2.05 H new ATOM 1066 N VAL A 72 2.136 -9.062 1.884 1.00 0.51 N ATOM 1067 CA VAL A 72 2.710 -10.108 2.714 1.00 0.59 C ATOM 1068 C VAL A 72 3.637 -9.459 3.737 1.00 0.62 C ATOM 1069 O VAL A 72 4.318 -8.475 3.440 1.00 0.54 O ATOM 1070 CB VAL A 72 3.403 -11.182 1.874 1.00 0.61 C ATOM 1071 CG1 VAL A 72 3.831 -12.378 2.736 1.00 0.71 C ATOM 1072 CG2 VAL A 72 2.487 -11.701 0.761 1.00 0.66 C ATOM 0 H VAL A 72 2.835 -8.487 1.414 1.00 0.51 H new ATOM 0 HA VAL A 72 1.919 -10.634 3.248 1.00 0.59 H new ATOM 0 HB VAL A 72 4.282 -10.709 1.437 1.00 0.61 H new ATOM 0 HG11 VAL A 72 4.320 -13.123 2.108 1.00 0.71 H new ATOM 0 HG12 VAL A 72 4.524 -12.041 3.507 1.00 0.71 H new ATOM 0 HG13 VAL A 72 2.953 -12.820 3.206 1.00 0.71 H new ATOM 0 HG21 VAL A 72 3.011 -12.463 0.184 1.00 0.66 H new ATOM 0 HG22 VAL A 72 1.589 -12.134 1.201 1.00 0.66 H new ATOM 0 HG23 VAL A 72 2.208 -10.876 0.105 1.00 0.66 H new ATOM 1082 N ILE A 73 3.621 -10.008 4.950 1.00 0.78 N ATOM 1083 CA ILE A 73 4.347 -9.511 6.105 1.00 0.93 C ATOM 1084 C ILE A 73 5.404 -10.548 6.486 1.00 1.10 C ATOM 1085 O ILE A 73 5.225 -11.316 7.424 1.00 1.25 O ATOM 1086 CB ILE A 73 3.374 -9.222 7.260 1.00 1.02 C ATOM 1087 CG1 ILE A 73 2.234 -8.278 6.850 1.00 1.03 C ATOM 1088 CG2 ILE A 73 4.125 -8.647 8.472 1.00 1.23 C ATOM 1089 CD1 ILE A 73 2.683 -6.908 6.341 1.00 1.12 C ATOM 0 H ILE A 73 3.078 -10.846 5.158 1.00 0.78 H new ATOM 0 HA ILE A 73 4.846 -8.570 5.873 1.00 0.93 H new ATOM 0 HB ILE A 73 2.923 -10.176 7.534 1.00 1.02 H new ATOM 0 HG12 ILE A 73 1.643 -8.762 6.073 1.00 1.03 H new ATOM 0 HG13 ILE A 73 1.576 -8.133 7.707 1.00 1.03 H new ATOM 0 HG21 ILE A 73 3.418 -8.450 9.278 1.00 1.23 H new ATOM 0 HG22 ILE A 73 4.871 -9.365 8.812 1.00 1.23 H new ATOM 0 HG23 ILE A 73 4.619 -7.718 8.187 1.00 1.23 H new ATOM 0 HD11 ILE A 73 1.808 -6.314 6.076 1.00 1.12 H new ATOM 0 HD12 ILE A 73 3.247 -6.397 7.121 1.00 1.12 H new ATOM 0 HD13 ILE A 73 3.314 -7.036 5.462 1.00 1.12 H new ATOM 1101 N GLU A 74 6.523 -10.564 5.761 1.00 1.14 N ATOM 1102 CA GLU A 74 7.682 -11.373 6.066 1.00 1.28 C ATOM 1103 C GLU A 74 8.579 -10.772 7.158 1.00 1.42 C ATOM 1104 O GLU A 74 9.622 -11.326 7.494 1.00 1.54 O ATOM 1105 CB GLU A 74 8.454 -11.605 4.770 1.00 1.33 C ATOM 1106 CG GLU A 74 7.744 -12.605 3.849 1.00 1.28 C ATOM 1107 CD GLU A 74 8.511 -12.805 2.548 1.00 1.94 C ATOM 1108 OE1 GLU A 74 9.704 -13.162 2.646 1.00 2.54 O ATOM 1109 OE2 GLU A 74 7.891 -12.576 1.488 1.00 3.23 O ATOM 0 H GLU A 74 6.642 -9.995 4.923 1.00 1.14 H new ATOM 0 HA GLU A 74 7.340 -12.321 6.480 1.00 1.28 H new ATOM 0 HB2 GLU A 74 8.579 -10.656 4.248 1.00 1.33 H new ATOM 0 HB3 GLU A 74 9.453 -11.974 5.004 1.00 1.33 H new ATOM 0 HG2 GLU A 74 7.638 -13.561 4.361 1.00 1.28 H new ATOM 0 HG3 GLU A 74 6.738 -12.248 3.629 1.00 1.28 H new ATOM 1116 N GLY A 75 8.193 -9.604 7.665 1.00 1.44 N ATOM 1117 CA GLY A 75 9.034 -8.710 8.452 1.00 1.55 C ATOM 1118 C GLY A 75 8.637 -8.562 9.919 1.00 2.37 C ATOM 1119 O GLY A 75 9.435 -8.076 10.722 1.00 2.82 O ATOM 0 H GLY A 75 7.249 -9.241 7.533 1.00 1.44 H new ATOM 0 HA2 GLY A 75 10.062 -9.070 8.406 1.00 1.55 H new ATOM 0 HA3 GLY A 75 9.021 -7.724 7.988 1.00 1.55 H new ATOM 1123 N ARG A 76 7.398 -8.911 10.254 1.00 3.41 N ATOM 1124 CA ARG A 76 6.859 -8.873 11.602 1.00 5.00 C ATOM 1125 C ARG A 76 5.933 -10.071 11.783 1.00 6.29 C ATOM 1126 O ARG A 76 5.785 -10.819 10.792 1.00 6.77 O ATOM 1127 CB ARG A 76 6.100 -7.555 11.832 1.00 5.71 C ATOM 1128 CG ARG A 76 6.418 -6.972 13.215 1.00 7.11 C ATOM 1129 CD ARG A 76 7.776 -6.258 13.208 1.00 7.29 C ATOM 1130 NE ARG A 76 7.684 -4.960 12.519 1.00 7.82 N ATOM 1131 CZ ARG A 76 8.716 -4.258 12.021 1.00 8.33 C ATOM 1132 NH1 ARG A 76 9.941 -4.794 11.979 1.00 8.20 N ATOM 1133 NH2 ARG A 76 8.513 -3.013 11.571 1.00 9.52 N ATOM 1134 OXT ARG A 76 5.378 -10.196 12.896 1.00 7.32 O ATOM 0 H ARG A 76 6.720 -9.239 9.566 1.00 3.41 H new ATOM 0 HA ARG A 76 7.666 -8.923 12.332 1.00 5.00 H new ATOM 0 HB2 ARG A 76 6.371 -6.836 11.059 1.00 5.71 H new ATOM 0 HB3 ARG A 76 5.027 -7.729 11.744 1.00 5.71 H new ATOM 0 HG2 ARG A 76 5.636 -6.272 13.508 1.00 7.11 H new ATOM 0 HG3 ARG A 76 6.426 -7.770 13.958 1.00 7.11 H new ATOM 0 HD2 ARG A 76 8.117 -6.107 14.232 1.00 7.29 H new ATOM 0 HD3 ARG A 76 8.518 -6.885 12.714 1.00 7.29 H new ATOM 0 HE ARG A 76 6.753 -4.557 12.410 1.00 7.82 H new ATOM 0 HH11 ARG A 76 10.096 -5.741 12.326 1.00 8.20 H new ATOM 0 HH12 ARG A 76 10.720 -4.256 11.600 1.00 8.20 H new ATOM 0 HH21 ARG A 76 7.580 -2.603 11.608 1.00 9.52 H new ATOM 0 HH22 ARG A 76 9.292 -2.474 11.192 1.00 9.52 H new TER 1148 ARG A 76 HETATM 1149 CU CU A 77 -2.595 -4.468 -14.116 1.00 1.86 CU