USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 674 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 80 GLN : amide:sc= 1.46 K(o=2.6,f=-0.33) USER MOD Set 1.2: A 102 THR OG1 : rot 114:sc= 1.15 USER MOD Set 2.1: A 30 THR OG1 : rot -109:sc= 2.21 USER MOD Set 2.2: A 63 TYR OH : rot 17:sc= 1.13 USER MOD Set 3.1: A 38 GLN : amide:sc= 0.462 K(o=0.46,f=-0.17) USER MOD Set 3.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0722 USER MOD Single : A 29 GLN : amide:sc= 0.857 K(o=0.86,f=-0.61) USER MOD Single : A 37 THR OG1 : rot 62:sc= 1.13 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 90:sc= -0.0413 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -0:sc= 0.0969 USER MOD Single : A 56 SER OG : rot 120:sc= 0.654 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -157:sc= 0 (180deg=-0.845) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -142:sc= 1.23 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0369 X(o=-0.037,f=-0.1) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 83 MET CE :methyl 171:sc= -0.465 (180deg=-0.741) USER MOD Single : A 85 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.2) USER MOD Single : A 86 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.19) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -162:sc= -0.118 (180deg=-0.581) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 135:sc= 1.19 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 27 12.043 3.536 11.264 1.00 7.04 N ATOM 2 CA ALA A 27 13.409 4.092 11.308 1.00 6.02 C ATOM 3 C ALA A 27 13.951 4.473 9.922 1.00 4.10 C ATOM 4 O ALA A 27 14.250 5.647 9.683 1.00 3.87 O ATOM 5 CB ALA A 27 14.365 3.151 12.052 1.00 7.42 C ATOM 0 HA ALA A 27 13.346 5.024 11.869 1.00 6.02 H new ATOM 0 HB1 ALA A 27 15.364 3.586 12.069 1.00 7.42 H new ATOM 0 HB2 ALA A 27 14.014 3.009 13.074 1.00 7.42 H new ATOM 0 HB3 ALA A 27 14.397 2.188 11.543 1.00 7.42 H new ATOM 13 N THR A 28 14.139 3.505 9.014 1.00 3.43 N ATOM 14 CA THR A 28 14.853 3.685 7.733 1.00 1.79 C ATOM 15 C THR A 28 14.401 2.681 6.659 1.00 1.76 C ATOM 16 O THR A 28 13.724 1.699 6.953 1.00 2.98 O ATOM 17 CB THR A 28 16.374 3.595 7.964 1.00 2.20 C ATOM 18 OG1 THR A 28 17.043 3.967 6.785 1.00 3.05 O ATOM 19 CG2 THR A 28 16.863 2.209 8.386 1.00 3.20 C ATOM 0 H THR A 28 13.794 2.555 9.148 1.00 3.43 H new ATOM 0 HA THR A 28 14.603 4.676 7.354 1.00 1.79 H new ATOM 0 HB THR A 28 16.596 4.271 8.790 1.00 2.20 H new ATOM 0 HG1 THR A 28 18.011 3.913 6.927 1.00 3.05 H new ATOM 0 HG21 THR A 28 17.943 2.232 8.528 1.00 3.20 H new ATOM 0 HG22 THR A 28 16.380 1.922 9.320 1.00 3.20 H new ATOM 0 HG23 THR A 28 16.614 1.484 7.611 1.00 3.20 H new ATOM 27 N GLN A 29 14.779 2.904 5.401 1.00 0.90 N ATOM 28 CA GLN A 29 14.390 2.096 4.240 1.00 0.72 C ATOM 29 C GLN A 29 14.869 0.631 4.282 1.00 0.54 C ATOM 30 O GLN A 29 15.932 0.311 4.826 1.00 0.66 O ATOM 31 CB GLN A 29 14.868 2.783 2.961 1.00 0.92 C ATOM 32 CG GLN A 29 13.777 3.731 2.462 1.00 1.31 C ATOM 33 CD GLN A 29 13.508 4.932 3.363 1.00 2.70 C ATOM 34 OE1 GLN A 29 14.397 5.502 3.989 1.00 3.58 O ATOM 35 NE2 GLN A 29 12.267 5.341 3.489 1.00 3.26 N ATOM 0 H GLN A 29 15.389 3.682 5.150 1.00 0.90 H new ATOM 0 HA GLN A 29 13.302 2.035 4.262 1.00 0.72 H new ATOM 0 HB2 GLN A 29 15.787 3.336 3.153 1.00 0.92 H new ATOM 0 HB3 GLN A 29 15.097 2.039 2.198 1.00 0.92 H new ATOM 0 HG2 GLN A 29 14.055 4.093 1.472 1.00 1.31 H new ATOM 0 HG3 GLN A 29 12.851 3.167 2.347 1.00 1.31 H new ATOM 0 HE21 GLN A 29 11.521 4.874 2.973 1.00 3.26 H new ATOM 0 HE22 GLN A 29 12.049 6.126 4.103 1.00 3.26 H new ATOM 44 N THR A 30 14.104 -0.239 3.616 1.00 0.41 N ATOM 45 CA THR A 30 14.481 -1.622 3.261 1.00 0.39 C ATOM 46 C THR A 30 14.490 -1.826 1.743 1.00 0.44 C ATOM 47 O THR A 30 14.023 -0.960 0.997 1.00 0.50 O ATOM 48 CB THR A 30 13.584 -2.670 3.945 1.00 0.42 C ATOM 49 OG1 THR A 30 12.210 -2.424 3.743 1.00 0.56 O ATOM 50 CG2 THR A 30 13.826 -2.667 5.443 1.00 0.61 C ATOM 0 H THR A 30 13.167 0.005 3.294 1.00 0.41 H new ATOM 0 HA THR A 30 15.494 -1.771 3.634 1.00 0.39 H new ATOM 0 HB THR A 30 13.844 -3.629 3.498 1.00 0.42 H new ATOM 0 HG1 THR A 30 11.805 -2.122 4.583 1.00 0.56 H new ATOM 0 HG21 THR A 30 13.186 -3.412 5.916 1.00 0.61 H new ATOM 0 HG22 THR A 30 14.871 -2.906 5.643 1.00 0.61 H new ATOM 0 HG23 THR A 30 13.595 -1.681 5.847 1.00 0.61 H new ATOM 58 N GLU A 31 14.971 -2.978 1.261 1.00 0.51 N ATOM 59 CA GLU A 31 14.825 -3.378 -0.147 1.00 0.59 C ATOM 60 C GLU A 31 13.342 -3.579 -0.516 1.00 0.55 C ATOM 61 O GLU A 31 12.923 -3.274 -1.639 1.00 0.64 O ATOM 62 CB GLU A 31 15.600 -4.687 -0.383 1.00 0.69 C ATOM 63 CG GLU A 31 17.126 -4.519 -0.322 1.00 0.96 C ATOM 64 CD GLU A 31 17.866 -5.855 -0.507 1.00 1.88 C ATOM 65 OE1 GLU A 31 18.712 -6.197 0.358 1.00 2.98 O ATOM 66 OE2 GLU A 31 17.606 -6.566 -1.517 1.00 2.62 O ATOM 0 H GLU A 31 15.471 -3.659 1.833 1.00 0.51 H new ATOM 0 HA GLU A 31 15.227 -2.585 -0.778 1.00 0.59 H new ATOM 0 HB2 GLU A 31 15.294 -5.420 0.363 1.00 0.69 H new ATOM 0 HB3 GLU A 31 15.326 -5.091 -1.358 1.00 0.69 H new ATOM 0 HG2 GLU A 31 17.444 -3.820 -1.095 1.00 0.96 H new ATOM 0 HG3 GLU A 31 17.404 -4.082 0.637 1.00 0.96 H new ATOM 73 N GLY A 32 12.543 -4.042 0.456 1.00 0.47 N ATOM 74 CA GLY A 32 11.111 -4.294 0.312 1.00 0.46 C ATOM 75 C GLY A 32 10.271 -3.023 0.171 1.00 0.34 C ATOM 76 O GLY A 32 9.328 -3.011 -0.610 1.00 0.32 O ATOM 0 H GLY A 32 12.891 -4.256 1.391 1.00 0.47 H new ATOM 0 HA2 GLY A 32 10.949 -4.924 -0.562 1.00 0.46 H new ATOM 0 HA3 GLY A 32 10.761 -4.855 1.179 1.00 0.46 H new ATOM 80 N GLU A 33 10.650 -1.927 0.840 1.00 0.28 N ATOM 81 CA GLU A 33 10.028 -0.599 0.712 1.00 0.25 C ATOM 82 C GLU A 33 9.900 -0.171 -0.764 1.00 0.28 C ATOM 83 O GLU A 33 8.826 0.195 -1.252 1.00 0.27 O ATOM 84 CB GLU A 33 10.916 0.375 1.520 1.00 0.26 C ATOM 85 CG GLU A 33 10.179 1.483 2.263 1.00 0.31 C ATOM 86 CD GLU A 33 9.966 2.771 1.446 1.00 0.39 C ATOM 87 OE1 GLU A 33 10.373 3.853 1.929 1.00 1.24 O ATOM 88 OE2 GLU A 33 9.481 2.724 0.296 1.00 1.26 O ATOM 0 H GLU A 33 11.422 -1.938 1.507 1.00 0.28 H new ATOM 0 HA GLU A 33 9.009 -0.605 1.099 1.00 0.25 H new ATOM 0 HB2 GLU A 33 11.490 -0.203 2.244 1.00 0.26 H new ATOM 0 HB3 GLU A 33 11.632 0.834 0.839 1.00 0.26 H new ATOM 0 HG2 GLU A 33 9.207 1.105 2.581 1.00 0.31 H new ATOM 0 HG3 GLU A 33 10.736 1.730 3.167 1.00 0.31 H new ATOM 95 N LEU A 34 10.997 -0.335 -1.511 1.00 0.35 N ATOM 96 CA LEU A 34 11.105 0.011 -2.924 1.00 0.43 C ATOM 97 C LEU A 34 10.238 -0.903 -3.779 1.00 0.45 C ATOM 98 O LEU A 34 9.440 -0.418 -4.579 1.00 0.50 O ATOM 99 CB LEU A 34 12.566 -0.122 -3.380 1.00 0.50 C ATOM 100 CG LEU A 34 13.624 0.408 -2.409 1.00 0.46 C ATOM 101 CD1 LEU A 34 15.000 0.295 -3.055 1.00 0.59 C ATOM 102 CD2 LEU A 34 13.377 1.862 -2.002 1.00 0.48 C ATOM 0 H LEU A 34 11.860 -0.725 -1.132 1.00 0.35 H new ATOM 0 HA LEU A 34 10.763 1.039 -3.047 1.00 0.43 H new ATOM 0 HB2 LEU A 34 12.772 -1.175 -3.570 1.00 0.50 H new ATOM 0 HB3 LEU A 34 12.678 0.401 -4.329 1.00 0.50 H new ATOM 0 HG LEU A 34 13.567 -0.197 -1.504 1.00 0.46 H new ATOM 0 HD11 LEU A 34 15.757 0.671 -2.367 1.00 0.59 H new ATOM 0 HD12 LEU A 34 15.208 -0.749 -3.288 1.00 0.59 H new ATOM 0 HD13 LEU A 34 15.020 0.882 -3.973 1.00 0.59 H new ATOM 0 HD21 LEU A 34 14.158 2.185 -1.313 1.00 0.48 H new ATOM 0 HD22 LEU A 34 13.391 2.496 -2.889 1.00 0.48 H new ATOM 0 HD23 LEU A 34 12.406 1.943 -1.514 1.00 0.48 H new ATOM 114 N ARG A 35 10.376 -2.217 -3.565 1.00 0.45 N ATOM 115 CA ARG A 35 9.649 -3.273 -4.282 1.00 0.51 C ATOM 116 C ARG A 35 8.147 -3.105 -4.133 1.00 0.43 C ATOM 117 O ARG A 35 7.417 -3.139 -5.121 1.00 0.47 O ATOM 118 CB ARG A 35 10.115 -4.635 -3.741 1.00 0.56 C ATOM 119 CG ARG A 35 9.292 -5.825 -4.272 1.00 0.61 C ATOM 120 CD ARG A 35 10.188 -6.819 -5.020 1.00 0.80 C ATOM 121 NE ARG A 35 9.410 -7.847 -5.728 1.00 2.46 N ATOM 122 CZ ARG A 35 8.928 -7.754 -6.955 1.00 4.55 C ATOM 123 NH1 ARG A 35 9.127 -6.748 -7.752 1.00 5.33 N ATOM 124 NH2 ARG A 35 8.182 -8.690 -7.443 1.00 6.24 N ATOM 0 H ARG A 35 11.018 -2.587 -2.865 1.00 0.45 H new ATOM 0 HA ARG A 35 9.866 -3.209 -5.348 1.00 0.51 H new ATOM 0 HB2 ARG A 35 11.162 -4.782 -4.005 1.00 0.56 H new ATOM 0 HB3 ARG A 35 10.059 -4.622 -2.653 1.00 0.56 H new ATOM 0 HG2 ARG A 35 8.797 -6.329 -3.442 1.00 0.61 H new ATOM 0 HG3 ARG A 35 8.509 -5.463 -4.938 1.00 0.61 H new ATOM 0 HD2 ARG A 35 10.808 -6.279 -5.735 1.00 0.80 H new ATOM 0 HD3 ARG A 35 10.863 -7.300 -4.312 1.00 0.80 H new ATOM 0 HE ARG A 35 9.225 -8.714 -5.224 1.00 2.46 H new ATOM 0 HH11 ARG A 35 9.690 -5.956 -7.443 1.00 5.33 H new ATOM 0 HH12 ARG A 35 8.720 -6.750 -8.687 1.00 5.33 H new ATOM 0 HH21 ARG A 35 7.960 -9.511 -6.880 1.00 6.24 H new ATOM 0 HH22 ARG A 35 7.815 -8.608 -8.391 1.00 6.24 H new ATOM 138 N VAL A 36 7.688 -2.869 -2.907 1.00 0.36 N ATOM 139 CA VAL A 36 6.273 -2.640 -2.632 1.00 0.32 C ATOM 140 C VAL A 36 5.840 -1.384 -3.386 1.00 0.32 C ATOM 141 O VAL A 36 4.853 -1.427 -4.117 1.00 0.32 O ATOM 142 CB VAL A 36 6.012 -2.514 -1.116 1.00 0.30 C ATOM 143 CG1 VAL A 36 4.619 -1.945 -0.818 1.00 0.30 C ATOM 144 CG2 VAL A 36 6.136 -3.888 -0.444 1.00 0.29 C ATOM 0 H VAL A 36 8.283 -2.831 -2.080 1.00 0.36 H new ATOM 0 HA VAL A 36 5.684 -3.491 -2.974 1.00 0.32 H new ATOM 0 HB VAL A 36 6.759 -1.826 -0.719 1.00 0.30 H new ATOM 0 HG11 VAL A 36 4.478 -1.874 0.261 1.00 0.30 H new ATOM 0 HG12 VAL A 36 4.528 -0.954 -1.262 1.00 0.30 H new ATOM 0 HG13 VAL A 36 3.859 -2.603 -1.240 1.00 0.30 H new ATOM 0 HG21 VAL A 36 5.950 -3.788 0.625 1.00 0.29 H new ATOM 0 HG22 VAL A 36 5.406 -4.572 -0.877 1.00 0.29 H new ATOM 0 HG23 VAL A 36 7.140 -4.281 -0.602 1.00 0.29 H new ATOM 154 N THR A 37 6.628 -0.301 -3.311 1.00 0.33 N ATOM 155 CA THR A 37 6.329 0.939 -4.041 1.00 0.34 C ATOM 156 C THR A 37 6.225 0.724 -5.551 1.00 0.37 C ATOM 157 O THR A 37 5.360 1.321 -6.183 1.00 0.43 O ATOM 158 CB THR A 37 7.338 2.056 -3.732 1.00 0.40 C ATOM 159 OG1 THR A 37 7.486 2.285 -2.352 1.00 0.32 O ATOM 160 CG2 THR A 37 6.957 3.410 -4.332 1.00 0.54 C ATOM 0 H THR A 37 7.479 -0.260 -2.750 1.00 0.33 H new ATOM 0 HA THR A 37 5.350 1.257 -3.683 1.00 0.34 H new ATOM 0 HB THR A 37 8.261 1.686 -4.179 1.00 0.40 H new ATOM 0 HG1 THR A 37 7.836 1.477 -1.922 1.00 0.32 H new ATOM 0 HG21 THR A 37 7.715 4.149 -4.073 1.00 0.54 H new ATOM 0 HG22 THR A 37 6.892 3.322 -5.417 1.00 0.54 H new ATOM 0 HG23 THR A 37 5.992 3.725 -3.935 1.00 0.54 H new ATOM 168 N GLN A 38 7.035 -0.164 -6.131 1.00 0.35 N ATOM 169 CA GLN A 38 7.019 -0.461 -7.564 1.00 0.37 C ATOM 170 C GLN A 38 5.734 -1.157 -8.019 1.00 0.35 C ATOM 171 O GLN A 38 5.162 -0.757 -9.036 1.00 0.44 O ATOM 172 CB GLN A 38 8.226 -1.325 -7.959 1.00 0.43 C ATOM 173 CG GLN A 38 9.619 -0.693 -7.810 1.00 0.60 C ATOM 174 CD GLN A 38 9.636 0.832 -7.877 1.00 0.96 C ATOM 175 OE1 GLN A 38 9.540 1.436 -8.935 1.00 2.02 O ATOM 176 NE2 GLN A 38 9.717 1.509 -6.757 1.00 0.83 N ATOM 0 H GLN A 38 7.728 -0.703 -5.612 1.00 0.35 H new ATOM 0 HA GLN A 38 7.070 0.504 -8.068 1.00 0.37 H new ATOM 0 HB2 GLN A 38 8.201 -2.235 -7.359 1.00 0.43 H new ATOM 0 HB3 GLN A 38 8.101 -1.626 -8.999 1.00 0.43 H new ATOM 0 HG2 GLN A 38 10.046 -1.006 -6.857 1.00 0.60 H new ATOM 0 HG3 GLN A 38 10.267 -1.085 -8.594 1.00 0.60 H new ATOM 0 HE21 GLN A 38 9.797 1.016 -5.868 1.00 0.83 H new ATOM 0 HE22 GLN A 38 9.700 2.529 -6.775 1.00 0.83 H new ATOM 185 N ILE A 39 5.251 -2.159 -7.278 1.00 0.29 N ATOM 186 CA ILE A 39 4.025 -2.886 -7.653 1.00 0.28 C ATOM 187 C ILE A 39 2.782 -2.031 -7.366 1.00 0.25 C ATOM 188 O ILE A 39 1.785 -2.099 -8.085 1.00 0.26 O ATOM 189 CB ILE A 39 3.950 -4.276 -6.984 1.00 0.32 C ATOM 190 CG1 ILE A 39 5.254 -5.070 -7.217 1.00 0.37 C ATOM 191 CG2 ILE A 39 2.740 -5.037 -7.553 1.00 0.39 C ATOM 192 CD1 ILE A 39 5.243 -6.480 -6.625 1.00 0.53 C ATOM 0 H ILE A 39 5.686 -2.488 -6.416 1.00 0.29 H new ATOM 0 HA ILE A 39 4.057 -3.070 -8.727 1.00 0.28 H new ATOM 0 HB ILE A 39 3.830 -4.153 -5.908 1.00 0.32 H new ATOM 0 HG12 ILE A 39 5.437 -5.140 -8.289 1.00 0.37 H new ATOM 0 HG13 ILE A 39 6.087 -4.514 -6.787 1.00 0.37 H new ATOM 0 HG21 ILE A 39 2.677 -6.021 -7.088 1.00 0.39 H new ATOM 0 HG22 ILE A 39 1.828 -4.478 -7.345 1.00 0.39 H new ATOM 0 HG23 ILE A 39 2.857 -5.152 -8.631 1.00 0.39 H new ATOM 0 HD11 ILE A 39 6.195 -6.969 -6.833 1.00 0.53 H new ATOM 0 HD12 ILE A 39 5.093 -6.421 -5.547 1.00 0.53 H new ATOM 0 HD13 ILE A 39 4.433 -7.056 -7.073 1.00 0.53 H new ATOM 204 N LEU A 40 2.857 -1.136 -6.381 1.00 0.26 N ATOM 205 CA LEU A 40 1.824 -0.129 -6.148 1.00 0.26 C ATOM 206 C LEU A 40 1.583 0.789 -7.354 1.00 0.26 C ATOM 207 O LEU A 40 0.432 1.095 -7.650 1.00 0.28 O ATOM 208 CB LEU A 40 2.184 0.678 -4.896 1.00 0.28 C ATOM 209 CG LEU A 40 1.910 -0.087 -3.590 1.00 0.31 C ATOM 210 CD1 LEU A 40 2.184 0.850 -2.419 1.00 0.39 C ATOM 211 CD2 LEU A 40 0.493 -0.653 -3.457 1.00 0.30 C ATOM 0 H LEU A 40 3.635 -1.089 -5.723 1.00 0.26 H new ATOM 0 HA LEU A 40 0.881 -0.653 -5.994 1.00 0.26 H new ATOM 0 HB2 LEU A 40 3.239 0.951 -4.937 1.00 0.28 H new ATOM 0 HB3 LEU A 40 1.614 1.607 -4.893 1.00 0.28 H new ATOM 0 HG LEU A 40 2.572 -0.953 -3.597 1.00 0.31 H new ATOM 0 HD11 LEU A 40 1.995 0.326 -1.482 1.00 0.39 H new ATOM 0 HD12 LEU A 40 3.224 1.176 -2.450 1.00 0.39 H new ATOM 0 HD13 LEU A 40 1.529 1.719 -2.487 1.00 0.39 H new ATOM 0 HD21 LEU A 40 0.397 -1.174 -2.505 1.00 0.30 H new ATOM 0 HD22 LEU A 40 -0.230 0.162 -3.499 1.00 0.30 H new ATOM 0 HD23 LEU A 40 0.302 -1.350 -4.273 1.00 0.30 H new ATOM 223 N LYS A 41 2.631 1.156 -8.101 1.00 0.27 N ATOM 224 CA LYS A 41 2.511 1.950 -9.347 1.00 0.32 C ATOM 225 C LYS A 41 1.637 1.282 -10.397 1.00 0.33 C ATOM 226 O LYS A 41 0.995 1.958 -11.196 1.00 0.46 O ATOM 227 CB LYS A 41 3.870 2.239 -9.991 1.00 0.45 C ATOM 228 CG LYS A 41 4.844 2.783 -8.960 1.00 0.59 C ATOM 229 CD LYS A 41 5.972 3.603 -9.578 1.00 0.98 C ATOM 230 CE LYS A 41 7.018 3.903 -8.499 1.00 1.28 C ATOM 231 NZ LYS A 41 8.150 4.674 -9.060 1.00 1.83 N ATOM 0 H LYS A 41 3.593 0.914 -7.864 1.00 0.27 H new ATOM 0 HA LYS A 41 2.045 2.882 -9.027 1.00 0.32 H new ATOM 0 HB2 LYS A 41 4.271 1.327 -10.432 1.00 0.45 H new ATOM 0 HB3 LYS A 41 3.749 2.959 -10.801 1.00 0.45 H new ATOM 0 HG2 LYS A 41 4.301 3.403 -8.247 1.00 0.59 H new ATOM 0 HG3 LYS A 41 5.272 1.952 -8.399 1.00 0.59 H new ATOM 0 HD2 LYS A 41 6.428 3.055 -10.403 1.00 0.98 H new ATOM 0 HD3 LYS A 41 5.580 4.532 -9.991 1.00 0.98 H new ATOM 0 HE2 LYS A 41 6.557 4.465 -7.687 1.00 1.28 H new ATOM 0 HE3 LYS A 41 7.385 2.969 -8.073 1.00 1.28 H new ATOM 0 HZ1 LYS A 41 8.845 4.865 -8.310 1.00 1.83 H new ATOM 0 HZ2 LYS A 41 8.601 4.125 -9.819 1.00 1.83 H new ATOM 0 HZ3 LYS A 41 7.800 5.574 -9.445 1.00 1.83 H new ATOM 245 N GLU A 42 1.644 -0.045 -10.416 1.00 0.29 N ATOM 246 CA GLU A 42 1.039 -0.897 -11.394 1.00 0.30 C ATOM 247 C GLU A 42 -0.341 -1.393 -11.017 1.00 0.31 C ATOM 248 O GLU A 42 -1.204 -1.502 -11.897 1.00 0.35 O ATOM 249 CB GLU A 42 1.976 -2.070 -11.475 1.00 0.33 C ATOM 250 CG GLU A 42 3.298 -1.876 -12.188 1.00 0.43 C ATOM 251 CD GLU A 42 4.330 -2.994 -11.951 1.00 1.03 C ATOM 252 OE1 GLU A 42 3.973 -4.192 -11.824 1.00 1.84 O ATOM 253 OE2 GLU A 42 5.549 -2.693 -11.972 1.00 2.10 O ATOM 0 H GLU A 42 2.113 -0.580 -9.685 1.00 0.29 H new ATOM 0 HA GLU A 42 0.896 -0.352 -12.327 1.00 0.30 H new ATOM 0 HB2 GLU A 42 2.190 -2.397 -10.458 1.00 0.33 H new ATOM 0 HB3 GLU A 42 1.448 -2.886 -11.968 1.00 0.33 H new ATOM 0 HG2 GLU A 42 3.109 -1.796 -13.259 1.00 0.43 H new ATOM 0 HG3 GLU A 42 3.731 -0.928 -11.869 1.00 0.43 H new ATOM 260 N LYS A 43 -0.579 -1.640 -9.724 1.00 0.27 N ATOM 261 CA LYS A 43 -1.935 -1.870 -9.265 1.00 0.29 C ATOM 262 C LYS A 43 -2.733 -0.575 -9.130 1.00 0.30 C ATOM 263 O LYS A 43 -3.960 -0.628 -9.174 1.00 0.38 O ATOM 264 CB LYS A 43 -2.001 -2.707 -7.988 1.00 0.31 C ATOM 265 CG LYS A 43 -1.338 -4.082 -7.997 1.00 0.36 C ATOM 266 CD LYS A 43 -1.823 -4.956 -9.154 1.00 0.50 C ATOM 267 CE LYS A 43 -1.074 -6.296 -9.187 1.00 0.67 C ATOM 268 NZ LYS A 43 -1.297 -7.025 -10.457 1.00 1.14 N ATOM 0 H LYS A 43 0.137 -1.683 -8.999 1.00 0.27 H new ATOM 0 HA LYS A 43 -2.411 -2.461 -10.047 1.00 0.29 H new ATOM 0 HB2 LYS A 43 -1.551 -2.125 -7.184 1.00 0.31 H new ATOM 0 HB3 LYS A 43 -3.052 -2.845 -7.733 1.00 0.31 H new ATOM 0 HG2 LYS A 43 -0.257 -3.961 -8.066 1.00 0.36 H new ATOM 0 HG3 LYS A 43 -1.543 -4.587 -7.053 1.00 0.36 H new ATOM 0 HD2 LYS A 43 -2.893 -5.137 -9.053 1.00 0.50 H new ATOM 0 HD3 LYS A 43 -1.676 -4.430 -10.097 1.00 0.50 H new ATOM 0 HE2 LYS A 43 -0.007 -6.118 -9.054 1.00 0.67 H new ATOM 0 HE3 LYS A 43 -1.401 -6.915 -8.351 1.00 0.67 H new ATOM 0 HZ1 LYS A 43 -0.774 -7.924 -10.438 1.00 1.14 H new ATOM 0 HZ2 LYS A 43 -2.312 -7.218 -10.573 1.00 1.14 H new ATOM 0 HZ3 LYS A 43 -0.961 -6.446 -11.253 1.00 1.14 H new ATOM 282 N PHE A 44 -2.043 0.568 -9.018 1.00 0.27 N ATOM 283 CA PHE A 44 -2.670 1.888 -8.912 1.00 0.29 C ATOM 284 C PHE A 44 -2.164 3.013 -9.851 1.00 0.37 C ATOM 285 O PHE A 44 -1.896 4.136 -9.408 1.00 0.39 O ATOM 286 CB PHE A 44 -2.744 2.298 -7.425 1.00 0.24 C ATOM 287 CG PHE A 44 -3.339 1.251 -6.498 1.00 0.22 C ATOM 288 CD1 PHE A 44 -4.735 1.167 -6.360 1.00 1.46 C ATOM 289 CD2 PHE A 44 -2.516 0.329 -5.817 1.00 1.52 C ATOM 290 CE1 PHE A 44 -5.309 0.157 -5.574 1.00 1.45 C ATOM 291 CE2 PHE A 44 -3.088 -0.691 -5.038 1.00 1.54 C ATOM 292 CZ PHE A 44 -4.485 -0.776 -4.926 1.00 0.25 C ATOM 0 H PHE A 44 -1.024 0.600 -8.998 1.00 0.27 H new ATOM 0 HA PHE A 44 -3.674 1.760 -9.317 1.00 0.29 H new ATOM 0 HB2 PHE A 44 -1.738 2.538 -7.080 1.00 0.24 H new ATOM 0 HB3 PHE A 44 -3.335 3.210 -7.344 1.00 0.24 H new ATOM 0 HD1 PHE A 44 -5.369 1.883 -6.861 1.00 1.46 H new ATOM 0 HD2 PHE A 44 -1.442 0.408 -5.895 1.00 1.52 H new ATOM 0 HE1 PHE A 44 -6.382 0.098 -5.468 1.00 1.45 H new ATOM 0 HE2 PHE A 44 -2.457 -1.405 -4.529 1.00 1.54 H new ATOM 0 HZ PHE A 44 -4.929 -1.565 -4.337 1.00 0.25 H new ATOM 302 N PRO A 45 -2.103 2.785 -11.177 1.00 0.48 N ATOM 303 CA PRO A 45 -1.746 3.806 -12.169 1.00 0.62 C ATOM 304 C PRO A 45 -2.727 4.979 -12.251 1.00 0.65 C ATOM 305 O PRO A 45 -2.325 6.059 -12.685 1.00 0.78 O ATOM 306 CB PRO A 45 -1.656 3.066 -13.513 1.00 0.73 C ATOM 307 CG PRO A 45 -2.521 1.827 -13.304 1.00 0.66 C ATOM 308 CD PRO A 45 -2.261 1.508 -11.839 1.00 0.50 C ATOM 0 HA PRO A 45 -0.805 4.275 -11.882 1.00 0.62 H new ATOM 0 HB2 PRO A 45 -2.028 3.680 -14.333 1.00 0.73 H new ATOM 0 HB3 PRO A 45 -0.627 2.800 -13.755 1.00 0.73 H new ATOM 0 HG2 PRO A 45 -3.575 2.027 -13.498 1.00 0.66 H new ATOM 0 HG3 PRO A 45 -2.226 1.007 -13.959 1.00 0.66 H new ATOM 0 HD2 PRO A 45 -3.089 0.945 -11.409 1.00 0.50 H new ATOM 0 HD3 PRO A 45 -1.366 0.896 -11.725 1.00 0.50 H new ATOM 316 N ARG A 46 -3.986 4.818 -11.818 1.00 0.60 N ATOM 317 CA ARG A 46 -4.986 5.899 -11.815 1.00 0.68 C ATOM 318 C ARG A 46 -4.968 6.760 -10.542 1.00 0.65 C ATOM 319 O ARG A 46 -5.721 7.735 -10.435 1.00 0.83 O ATOM 320 CB ARG A 46 -6.377 5.315 -12.107 1.00 0.83 C ATOM 321 CG ARG A 46 -6.453 4.353 -13.312 1.00 1.03 C ATOM 322 CD ARG A 46 -5.811 4.902 -14.593 1.00 1.69 C ATOM 323 NE ARG A 46 -5.742 3.887 -15.658 1.00 2.82 N ATOM 324 CZ ARG A 46 -5.196 4.063 -16.846 1.00 3.91 C ATOM 325 NH1 ARG A 46 -4.613 5.169 -17.196 1.00 4.48 N ATOM 326 NH2 ARG A 46 -5.177 3.127 -17.743 1.00 5.04 N ATOM 0 H ARG A 46 -4.342 3.932 -11.459 1.00 0.60 H new ATOM 0 HA ARG A 46 -4.717 6.593 -12.612 1.00 0.68 H new ATOM 0 HB2 ARG A 46 -6.724 4.786 -11.219 1.00 0.83 H new ATOM 0 HB3 ARG A 46 -7.070 6.139 -12.278 1.00 0.83 H new ATOM 0 HG2 ARG A 46 -5.964 3.416 -13.046 1.00 1.03 H new ATOM 0 HG3 ARG A 46 -7.499 4.121 -13.513 1.00 1.03 H new ATOM 0 HD2 ARG A 46 -6.384 5.759 -14.946 1.00 1.69 H new ATOM 0 HD3 ARG A 46 -4.806 5.261 -14.369 1.00 1.69 H new ATOM 0 HE ARG A 46 -6.150 2.973 -15.461 1.00 2.82 H new ATOM 0 HH11 ARG A 46 -4.563 5.949 -16.540 1.00 4.48 H new ATOM 0 HH12 ARG A 46 -4.205 5.258 -18.127 1.00 4.48 H new ATOM 0 HH21 ARG A 46 -5.593 2.218 -17.541 1.00 5.04 H new ATOM 0 HH22 ARG A 46 -4.746 3.300 -18.651 1.00 5.04 H new ATOM 340 N ALA A 47 -4.092 6.415 -9.597 1.00 0.49 N ATOM 341 CA ALA A 47 -3.899 7.126 -8.339 1.00 0.40 C ATOM 342 C ALA A 47 -3.323 8.540 -8.510 1.00 0.48 C ATOM 343 O ALA A 47 -2.554 8.814 -9.438 1.00 0.68 O ATOM 344 CB ALA A 47 -3.032 6.285 -7.395 1.00 0.43 C ATOM 0 H ALA A 47 -3.479 5.606 -9.693 1.00 0.49 H new ATOM 0 HA ALA A 47 -4.887 7.268 -7.901 1.00 0.40 H new ATOM 0 HB1 ALA A 47 -2.891 6.821 -6.456 1.00 0.43 H new ATOM 0 HB2 ALA A 47 -3.526 5.333 -7.199 1.00 0.43 H new ATOM 0 HB3 ALA A 47 -2.062 6.102 -7.858 1.00 0.43 H new ATOM 350 N THR A 48 -3.662 9.406 -7.555 1.00 0.40 N ATOM 351 CA THR A 48 -3.150 10.779 -7.423 1.00 0.50 C ATOM 352 C THR A 48 -2.277 10.991 -6.176 1.00 0.44 C ATOM 353 O THR A 48 -1.623 12.032 -6.076 1.00 0.60 O ATOM 354 CB THR A 48 -4.280 11.812 -7.467 1.00 0.76 C ATOM 355 OG1 THR A 48 -5.158 11.580 -6.402 1.00 0.84 O ATOM 356 CG2 THR A 48 -5.118 11.774 -8.744 1.00 0.92 C ATOM 0 H THR A 48 -4.327 9.165 -6.820 1.00 0.40 H new ATOM 0 HA THR A 48 -2.504 10.930 -8.288 1.00 0.50 H new ATOM 0 HB THR A 48 -3.788 12.783 -7.415 1.00 0.76 H new ATOM 0 HG1 THR A 48 -4.864 12.090 -5.618 1.00 0.84 H new ATOM 0 HG21 THR A 48 -5.895 12.537 -8.692 1.00 0.92 H new ATOM 0 HG22 THR A 48 -4.478 11.966 -9.605 1.00 0.92 H new ATOM 0 HG23 THR A 48 -5.580 10.792 -8.847 1.00 0.92 H new ATOM 364 N ALA A 49 -2.195 10.031 -5.243 1.00 0.39 N ATOM 365 CA ALA A 49 -1.030 9.856 -4.361 1.00 0.44 C ATOM 366 C ALA A 49 -0.631 8.372 -4.257 1.00 0.31 C ATOM 367 O ALA A 49 -1.516 7.517 -4.203 1.00 0.23 O ATOM 368 CB ALA A 49 -1.324 10.446 -2.974 1.00 0.55 C ATOM 0 H ALA A 49 -2.937 9.351 -5.078 1.00 0.39 H new ATOM 0 HA ALA A 49 -0.186 10.393 -4.794 1.00 0.44 H new ATOM 0 HB1 ALA A 49 -0.455 10.311 -2.330 1.00 0.55 H new ATOM 0 HB2 ALA A 49 -1.543 11.509 -3.070 1.00 0.55 H new ATOM 0 HB3 ALA A 49 -2.183 9.937 -2.537 1.00 0.55 H new ATOM 374 N ILE A 50 0.676 8.074 -4.198 1.00 0.33 N ATOM 375 CA ILE A 50 1.240 6.742 -3.889 1.00 0.25 C ATOM 376 C ILE A 50 2.617 6.843 -3.223 1.00 0.25 C ATOM 377 O ILE A 50 3.564 7.372 -3.807 1.00 0.31 O ATOM 378 CB ILE A 50 1.352 5.816 -5.135 1.00 0.26 C ATOM 379 CG1 ILE A 50 1.695 6.569 -6.444 1.00 0.40 C ATOM 380 CG2 ILE A 50 0.094 4.951 -5.295 1.00 0.24 C ATOM 381 CD1 ILE A 50 2.041 5.646 -7.618 1.00 0.52 C ATOM 0 H ILE A 50 1.398 8.774 -4.369 1.00 0.33 H new ATOM 0 HA ILE A 50 0.529 6.294 -3.195 1.00 0.25 H new ATOM 0 HB ILE A 50 2.201 5.160 -4.946 1.00 0.26 H new ATOM 0 HG12 ILE A 50 0.848 7.195 -6.724 1.00 0.40 H new ATOM 0 HG13 ILE A 50 2.537 7.236 -6.258 1.00 0.40 H new ATOM 0 HG21 ILE A 50 0.200 4.314 -6.173 1.00 0.24 H new ATOM 0 HG22 ILE A 50 -0.035 4.329 -4.409 1.00 0.24 H new ATOM 0 HG23 ILE A 50 -0.777 5.595 -5.416 1.00 0.24 H new ATOM 0 HD11 ILE A 50 2.269 6.247 -8.498 1.00 0.52 H new ATOM 0 HD12 ILE A 50 2.908 5.037 -7.359 1.00 0.52 H new ATOM 0 HD13 ILE A 50 1.192 4.996 -7.832 1.00 0.52 H new ATOM 393 N LYS A 51 2.738 6.310 -2.000 1.00 0.24 N ATOM 394 CA LYS A 51 3.973 6.281 -1.202 1.00 0.26 C ATOM 395 C LYS A 51 3.963 5.204 -0.110 1.00 0.25 C ATOM 396 O LYS A 51 2.899 4.730 0.289 1.00 0.33 O ATOM 397 CB LYS A 51 4.233 7.677 -0.634 1.00 0.34 C ATOM 398 CG LYS A 51 3.086 8.305 0.173 1.00 0.44 C ATOM 399 CD LYS A 51 3.243 9.825 0.205 1.00 0.60 C ATOM 400 CE LYS A 51 2.945 10.438 -1.174 1.00 0.87 C ATOM 401 NZ LYS A 51 3.949 11.477 -1.504 1.00 2.04 N ATOM 0 H LYS A 51 1.951 5.871 -1.521 1.00 0.24 H new ATOM 0 HA LYS A 51 4.796 6.001 -1.860 1.00 0.26 H new ATOM 0 HB2 LYS A 51 5.115 7.628 0.005 1.00 0.34 H new ATOM 0 HB3 LYS A 51 4.475 8.344 -1.461 1.00 0.34 H new ATOM 0 HG2 LYS A 51 2.128 8.039 -0.273 1.00 0.44 H new ATOM 0 HG3 LYS A 51 3.085 7.909 1.189 1.00 0.44 H new ATOM 0 HD2 LYS A 51 2.568 10.248 0.949 1.00 0.60 H new ATOM 0 HD3 LYS A 51 4.257 10.083 0.511 1.00 0.60 H new ATOM 0 HE2 LYS A 51 2.955 9.658 -1.936 1.00 0.87 H new ATOM 0 HE3 LYS A 51 1.946 10.874 -1.177 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 3.735 11.882 -2.438 1.00 2.04 H new ATOM 0 HZ2 LYS A 51 3.920 12.228 -0.786 1.00 2.04 H new ATOM 0 HZ3 LYS A 51 4.897 11.050 -1.521 1.00 2.04 H new ATOM 415 N VAL A 52 5.156 4.817 0.346 1.00 0.23 N ATOM 416 CA VAL A 52 5.415 3.720 1.302 1.00 0.23 C ATOM 417 C VAL A 52 6.488 4.144 2.304 1.00 0.23 C ATOM 418 O VAL A 52 7.364 4.936 1.958 1.00 0.30 O ATOM 419 CB VAL A 52 5.872 2.438 0.556 1.00 0.26 C ATOM 420 CG1 VAL A 52 5.963 1.193 1.449 1.00 0.29 C ATOM 421 CG2 VAL A 52 4.982 2.083 -0.645 1.00 0.29 C ATOM 0 H VAL A 52 6.016 5.278 0.048 1.00 0.23 H new ATOM 0 HA VAL A 52 4.489 3.502 1.834 1.00 0.23 H new ATOM 0 HB VAL A 52 6.871 2.703 0.211 1.00 0.26 H new ATOM 0 HG11 VAL A 52 6.289 0.341 0.853 1.00 0.29 H new ATOM 0 HG12 VAL A 52 6.681 1.371 2.250 1.00 0.29 H new ATOM 0 HG13 VAL A 52 4.984 0.982 1.880 1.00 0.29 H new ATOM 0 HG21 VAL A 52 5.357 1.177 -1.121 1.00 0.29 H new ATOM 0 HG22 VAL A 52 3.960 1.917 -0.304 1.00 0.29 H new ATOM 0 HG23 VAL A 52 4.996 2.903 -1.363 1.00 0.29 H new ATOM 431 N THR A 53 6.463 3.614 3.529 1.00 0.23 N ATOM 432 CA THR A 53 7.569 3.760 4.491 1.00 0.24 C ATOM 433 C THR A 53 7.766 2.463 5.250 1.00 0.26 C ATOM 434 O THR A 53 6.841 1.968 5.879 1.00 0.23 O ATOM 435 CB THR A 53 7.298 4.902 5.485 1.00 0.28 C ATOM 436 OG1 THR A 53 7.270 6.148 4.827 1.00 0.40 O ATOM 437 CG2 THR A 53 8.387 5.024 6.537 1.00 0.40 C ATOM 0 H THR A 53 5.677 3.071 3.886 1.00 0.23 H new ATOM 0 HA THR A 53 8.473 4.001 3.931 1.00 0.24 H new ATOM 0 HB THR A 53 6.341 4.659 5.946 1.00 0.28 H new ATOM 0 HG1 THR A 53 7.439 6.017 3.871 1.00 0.40 H new ATOM 0 HG21 THR A 53 8.149 5.844 7.214 1.00 0.40 H new ATOM 0 HG22 THR A 53 8.453 4.094 7.102 1.00 0.40 H new ATOM 0 HG23 THR A 53 9.342 5.221 6.051 1.00 0.40 H new ATOM 445 N ASP A 54 8.978 1.918 5.252 1.00 0.35 N ATOM 446 CA ASP A 54 9.342 0.836 6.166 1.00 0.37 C ATOM 447 C ASP A 54 9.414 1.382 7.590 1.00 0.35 C ATOM 448 O ASP A 54 10.087 2.383 7.854 1.00 0.42 O ATOM 449 CB ASP A 54 10.703 0.266 5.741 1.00 0.43 C ATOM 450 CG ASP A 54 11.119 -0.906 6.622 1.00 0.96 C ATOM 451 OD1 ASP A 54 11.531 -0.685 7.792 1.00 1.22 O ATOM 452 OD2 ASP A 54 11.062 -2.032 6.097 1.00 2.53 O ATOM 0 H ASP A 54 9.730 2.209 4.628 1.00 0.35 H new ATOM 0 HA ASP A 54 8.595 0.043 6.132 1.00 0.37 H new ATOM 0 HB2 ASP A 54 10.654 -0.059 4.702 1.00 0.43 H new ATOM 0 HB3 ASP A 54 11.459 1.049 5.795 1.00 0.43 H new ATOM 457 N ILE A 55 8.747 0.691 8.509 1.00 0.32 N ATOM 458 CA ILE A 55 8.695 1.005 9.943 1.00 0.34 C ATOM 459 C ILE A 55 9.083 -0.233 10.782 1.00 0.41 C ATOM 460 O ILE A 55 8.560 -0.472 11.874 1.00 0.53 O ATOM 461 CB ILE A 55 7.347 1.690 10.285 1.00 0.33 C ATOM 462 CG1 ILE A 55 6.120 0.806 9.960 1.00 0.28 C ATOM 463 CG2 ILE A 55 7.262 3.059 9.585 1.00 0.37 C ATOM 464 CD1 ILE A 55 4.763 1.533 9.932 1.00 0.28 C ATOM 0 H ILE A 55 8.204 -0.139 8.271 1.00 0.32 H new ATOM 0 HA ILE A 55 9.447 1.745 10.217 1.00 0.34 H new ATOM 0 HB ILE A 55 7.321 1.842 11.364 1.00 0.33 H new ATOM 0 HG12 ILE A 55 6.280 0.337 8.989 1.00 0.28 H new ATOM 0 HG13 ILE A 55 6.067 0.005 10.697 1.00 0.28 H new ATOM 0 HG21 ILE A 55 6.312 3.534 9.830 1.00 0.37 H new ATOM 0 HG22 ILE A 55 8.082 3.692 9.923 1.00 0.37 H new ATOM 0 HG23 ILE A 55 7.331 2.921 8.506 1.00 0.37 H new ATOM 0 HD11 ILE A 55 3.973 0.820 9.695 1.00 0.28 H new ATOM 0 HD12 ILE A 55 4.569 1.979 10.908 1.00 0.28 H new ATOM 0 HD13 ILE A 55 4.785 2.316 9.174 1.00 0.28 H new ATOM 476 N SER A 56 9.993 -1.046 10.221 1.00 0.41 N ATOM 477 CA SER A 56 10.513 -2.311 10.743 1.00 0.46 C ATOM 478 C SER A 56 12.024 -2.427 10.512 1.00 0.49 C ATOM 479 O SER A 56 12.514 -3.253 9.742 1.00 0.51 O ATOM 480 CB SER A 56 9.687 -3.461 10.189 1.00 0.50 C ATOM 481 OG SER A 56 10.140 -4.732 10.617 1.00 1.27 O ATOM 0 H SER A 56 10.414 -0.814 9.321 1.00 0.41 H new ATOM 0 HA SER A 56 10.405 -2.351 11.827 1.00 0.46 H new ATOM 0 HB2 SER A 56 8.648 -3.332 10.492 1.00 0.50 H new ATOM 0 HB3 SER A 56 9.708 -3.423 9.100 1.00 0.50 H new ATOM 0 HG SER A 56 9.424 -5.186 11.110 1.00 1.27 H new ATOM 487 N GLY A 57 12.789 -1.606 11.238 1.00 0.63 N ATOM 488 CA GLY A 57 14.255 -1.521 11.193 1.00 0.77 C ATOM 489 C GLY A 57 15.008 -2.857 11.134 1.00 0.87 C ATOM 490 O GLY A 57 16.013 -2.961 10.419 1.00 1.34 O ATOM 0 H GLY A 57 12.385 -0.950 11.906 1.00 0.63 H new ATOM 0 HA2 GLY A 57 14.538 -0.929 10.322 1.00 0.77 H new ATOM 0 HA3 GLY A 57 14.594 -0.975 12.073 1.00 0.77 H new ATOM 494 N GLY A 58 14.514 -3.885 11.828 1.00 0.75 N ATOM 495 CA GLY A 58 15.192 -5.184 11.975 1.00 0.97 C ATOM 496 C GLY A 58 14.692 -6.313 11.057 1.00 1.06 C ATOM 497 O GLY A 58 15.376 -7.329 10.923 1.00 1.50 O ATOM 0 H GLY A 58 13.618 -3.842 12.313 1.00 0.75 H new ATOM 0 HA2 GLY A 58 16.257 -5.039 11.792 1.00 0.97 H new ATOM 0 HA3 GLY A 58 15.088 -5.511 13.010 1.00 0.97 H new ATOM 501 N CYS A 59 13.527 -6.163 10.412 1.00 0.84 N ATOM 502 CA CYS A 59 12.909 -7.226 9.598 1.00 0.98 C ATOM 503 C CYS A 59 12.302 -6.741 8.271 1.00 0.91 C ATOM 504 O CYS A 59 12.206 -7.513 7.310 1.00 1.11 O ATOM 505 CB CYS A 59 11.822 -7.899 10.456 1.00 1.15 C ATOM 506 SG CYS A 59 11.371 -9.520 9.766 1.00 2.16 S ATOM 0 H CYS A 59 12.983 -5.300 10.438 1.00 0.84 H new ATOM 0 HA CYS A 59 13.699 -7.921 9.313 1.00 0.98 H new ATOM 0 HB2 CYS A 59 12.182 -8.020 11.478 1.00 1.15 H new ATOM 0 HB3 CYS A 59 10.940 -7.260 10.502 1.00 1.15 H new ATOM 0 HG CYS A 59 10.455 -10.068 10.508 1.00 2.16 H new ATOM 512 N GLY A 60 11.847 -5.490 8.225 1.00 0.71 N ATOM 513 CA GLY A 60 10.920 -4.989 7.214 1.00 0.68 C ATOM 514 C GLY A 60 9.628 -5.815 7.151 1.00 0.61 C ATOM 515 O GLY A 60 9.232 -6.304 6.093 1.00 0.71 O ATOM 0 H GLY A 60 12.119 -4.781 8.906 1.00 0.71 H new ATOM 0 HA2 GLY A 60 10.674 -3.950 7.432 1.00 0.68 H new ATOM 0 HA3 GLY A 60 11.406 -5.004 6.239 1.00 0.68 H new ATOM 519 N ALA A 61 9.027 -6.083 8.313 1.00 0.55 N ATOM 520 CA ALA A 61 7.719 -6.741 8.453 1.00 0.63 C ATOM 521 C ALA A 61 6.543 -5.742 8.555 1.00 0.57 C ATOM 522 O ALA A 61 5.414 -6.067 8.194 1.00 0.70 O ATOM 523 CB ALA A 61 7.778 -7.662 9.678 1.00 0.77 C ATOM 0 H ALA A 61 9.447 -5.842 9.211 1.00 0.55 H new ATOM 0 HA ALA A 61 7.523 -7.319 7.550 1.00 0.63 H new ATOM 0 HB1 ALA A 61 6.818 -8.163 9.803 1.00 0.77 H new ATOM 0 HB2 ALA A 61 8.560 -8.408 9.535 1.00 0.77 H new ATOM 0 HB3 ALA A 61 7.998 -7.071 10.567 1.00 0.77 H new ATOM 529 N MET A 62 6.802 -4.518 9.022 1.00 0.55 N ATOM 530 CA MET A 62 5.852 -3.402 9.044 1.00 0.37 C ATOM 531 C MET A 62 6.179 -2.358 7.977 1.00 0.32 C ATOM 532 O MET A 62 7.318 -1.897 7.883 1.00 0.34 O ATOM 533 CB MET A 62 5.849 -2.697 10.409 1.00 0.49 C ATOM 534 CG MET A 62 5.246 -3.497 11.553 1.00 0.57 C ATOM 535 SD MET A 62 5.839 -3.146 13.233 1.00 1.29 S ATOM 536 CE MET A 62 7.513 -3.840 13.209 1.00 1.06 C ATOM 0 H MET A 62 7.712 -4.268 9.409 1.00 0.55 H new ATOM 0 HA MET A 62 4.872 -3.836 8.844 1.00 0.37 H new ATOM 0 HB2 MET A 62 6.876 -2.440 10.669 1.00 0.49 H new ATOM 0 HB3 MET A 62 5.300 -1.760 10.314 1.00 0.49 H new ATOM 0 HG2 MET A 62 4.167 -3.342 11.539 1.00 0.57 H new ATOM 0 HG3 MET A 62 5.418 -4.554 11.350 1.00 0.57 H new ATOM 0 HE1 MET A 62 7.828 -4.065 14.228 1.00 1.06 H new ATOM 0 HE2 MET A 62 7.519 -4.755 12.616 1.00 1.06 H new ATOM 0 HE3 MET A 62 8.200 -3.118 12.768 1.00 1.06 H new ATOM 546 N TYR A 63 5.139 -1.908 7.273 1.00 0.33 N ATOM 547 CA TYR A 63 5.201 -0.760 6.375 1.00 0.34 C ATOM 548 C TYR A 63 3.966 0.140 6.500 1.00 0.34 C ATOM 549 O TYR A 63 2.834 -0.322 6.616 1.00 0.37 O ATOM 550 CB TYR A 63 5.324 -1.195 4.909 1.00 0.39 C ATOM 551 CG TYR A 63 6.568 -1.977 4.518 1.00 0.40 C ATOM 552 CD1 TYR A 63 7.730 -1.320 4.057 1.00 1.73 C ATOM 553 CD2 TYR A 63 6.562 -3.383 4.620 1.00 1.89 C ATOM 554 CE1 TYR A 63 8.896 -2.058 3.796 1.00 1.78 C ATOM 555 CE2 TYR A 63 7.713 -4.128 4.299 1.00 1.86 C ATOM 556 CZ TYR A 63 8.897 -3.466 3.916 1.00 0.45 C ATOM 557 OH TYR A 63 10.033 -4.173 3.665 1.00 0.53 O ATOM 0 H TYR A 63 4.216 -2.340 7.313 1.00 0.33 H new ATOM 0 HA TYR A 63 6.088 -0.201 6.674 1.00 0.34 H new ATOM 0 HB2 TYR A 63 4.452 -1.801 4.662 1.00 0.39 H new ATOM 0 HB3 TYR A 63 5.277 -0.301 4.286 1.00 0.39 H new ATOM 0 HD1 TYR A 63 7.722 -0.251 3.905 1.00 1.73 H new ATOM 0 HD2 TYR A 63 5.668 -3.893 4.947 1.00 1.89 H new ATOM 0 HE1 TYR A 63 9.800 -1.545 3.501 1.00 1.78 H new ATOM 0 HE2 TYR A 63 7.689 -5.207 4.346 1.00 1.86 H new ATOM 0 HH TYR A 63 10.805 -3.570 3.688 1.00 0.53 H new ATOM 567 N GLU A 64 4.191 1.435 6.382 1.00 0.31 N ATOM 568 CA GLU A 64 3.190 2.454 6.096 1.00 0.39 C ATOM 569 C GLU A 64 2.914 2.480 4.582 1.00 0.57 C ATOM 570 O GLU A 64 3.866 2.390 3.807 1.00 0.86 O ATOM 571 CB GLU A 64 3.752 3.807 6.565 1.00 0.57 C ATOM 572 CG GLU A 64 2.657 4.748 7.043 1.00 0.40 C ATOM 573 CD GLU A 64 3.228 6.133 7.372 1.00 0.75 C ATOM 574 OE1 GLU A 64 3.552 6.894 6.430 1.00 2.39 O ATOM 575 OE2 GLU A 64 3.360 6.470 8.575 1.00 1.34 O ATOM 0 H GLU A 64 5.126 1.829 6.488 1.00 0.31 H new ATOM 0 HA GLU A 64 2.254 2.243 6.613 1.00 0.39 H new ATOM 0 HB2 GLU A 64 4.465 3.642 7.372 1.00 0.57 H new ATOM 0 HB3 GLU A 64 4.299 4.275 5.747 1.00 0.57 H new ATOM 0 HG2 GLU A 64 1.890 4.840 6.274 1.00 0.40 H new ATOM 0 HG3 GLU A 64 2.174 4.331 7.926 1.00 0.40 H new ATOM 582 N ILE A 65 1.660 2.620 4.140 1.00 0.42 N ATOM 583 CA ILE A 65 1.304 2.828 2.720 1.00 0.37 C ATOM 584 C ILE A 65 0.217 3.898 2.604 1.00 0.30 C ATOM 585 O ILE A 65 -0.836 3.766 3.225 1.00 0.29 O ATOM 586 CB ILE A 65 0.828 1.518 2.043 1.00 0.41 C ATOM 587 CG1 ILE A 65 1.938 0.446 2.024 1.00 0.53 C ATOM 588 CG2 ILE A 65 0.368 1.805 0.599 1.00 0.38 C ATOM 589 CD1 ILE A 65 1.493 -0.927 1.501 1.00 0.64 C ATOM 0 H ILE A 65 0.850 2.593 4.759 1.00 0.42 H new ATOM 0 HA ILE A 65 2.204 3.160 2.202 1.00 0.37 H new ATOM 0 HB ILE A 65 -0.006 1.132 2.629 1.00 0.41 H new ATOM 0 HG12 ILE A 65 2.761 0.806 1.407 1.00 0.53 H new ATOM 0 HG13 ILE A 65 2.326 0.326 3.035 1.00 0.53 H new ATOM 0 HG21 ILE A 65 0.035 0.878 0.132 1.00 0.38 H new ATOM 0 HG22 ILE A 65 -0.455 2.519 0.615 1.00 0.38 H new ATOM 0 HG23 ILE A 65 1.198 2.221 0.029 1.00 0.38 H new ATOM 0 HD11 ILE A 65 2.337 -1.616 1.524 1.00 0.64 H new ATOM 0 HD12 ILE A 65 0.692 -1.314 2.131 1.00 0.64 H new ATOM 0 HD13 ILE A 65 1.134 -0.827 0.477 1.00 0.64 H new ATOM 601 N LYS A 66 0.419 4.906 1.750 1.00 0.27 N ATOM 602 CA LYS A 66 -0.548 5.984 1.477 1.00 0.23 C ATOM 603 C LYS A 66 -0.866 6.029 -0.012 1.00 0.22 C ATOM 604 O LYS A 66 0.030 6.254 -0.823 1.00 0.26 O ATOM 605 CB LYS A 66 0.000 7.324 1.999 1.00 0.37 C ATOM 606 CG LYS A 66 -0.080 7.464 3.528 1.00 0.83 C ATOM 607 CD LYS A 66 0.869 8.548 4.057 1.00 1.32 C ATOM 608 CE LYS A 66 0.838 8.553 5.589 1.00 1.97 C ATOM 609 NZ LYS A 66 1.638 9.661 6.153 1.00 2.53 N ATOM 0 H LYS A 66 1.281 5.001 1.213 1.00 0.27 H new ATOM 0 HA LYS A 66 -1.482 5.788 2.004 1.00 0.23 H new ATOM 0 HB2 LYS A 66 1.039 7.430 1.686 1.00 0.37 H new ATOM 0 HB3 LYS A 66 -0.556 8.140 1.538 1.00 0.37 H new ATOM 0 HG2 LYS A 66 -1.103 7.705 3.817 1.00 0.83 H new ATOM 0 HG3 LYS A 66 0.165 6.509 3.993 1.00 0.83 H new ATOM 0 HD2 LYS A 66 1.883 8.362 3.704 1.00 1.32 H new ATOM 0 HD3 LYS A 66 0.572 9.524 3.674 1.00 1.32 H new ATOM 0 HE2 LYS A 66 -0.193 8.639 5.931 1.00 1.97 H new ATOM 0 HE3 LYS A 66 1.219 7.603 5.963 1.00 1.97 H new ATOM 0 HZ1 LYS A 66 1.591 9.629 7.191 1.00 2.53 H new ATOM 0 HZ2 LYS A 66 2.628 9.565 5.848 1.00 2.53 H new ATOM 0 HZ3 LYS A 66 1.259 10.569 5.817 1.00 2.53 H new ATOM 623 N ILE A 67 -2.133 5.788 -0.358 1.00 0.22 N ATOM 624 CA ILE A 67 -2.671 5.761 -1.719 1.00 0.24 C ATOM 625 C ILE A 67 -3.871 6.717 -1.811 1.00 0.27 C ATOM 626 O ILE A 67 -4.528 7.002 -0.814 1.00 0.30 O ATOM 627 CB ILE A 67 -3.044 4.333 -2.171 1.00 0.24 C ATOM 628 CG1 ILE A 67 -1.944 3.339 -1.746 1.00 0.23 C ATOM 629 CG2 ILE A 67 -3.342 4.291 -3.681 1.00 0.26 C ATOM 630 CD1 ILE A 67 -1.709 2.124 -2.640 1.00 0.29 C ATOM 0 H ILE A 67 -2.849 5.596 0.342 1.00 0.22 H new ATOM 0 HA ILE A 67 -1.894 6.099 -2.404 1.00 0.24 H new ATOM 0 HB ILE A 67 -3.964 4.027 -1.673 1.00 0.24 H new ATOM 0 HG12 ILE A 67 -1.005 3.888 -1.671 1.00 0.23 H new ATOM 0 HG13 ILE A 67 -2.184 2.979 -0.745 1.00 0.23 H new ATOM 0 HG21 ILE A 67 -3.602 3.273 -3.972 1.00 0.26 H new ATOM 0 HG22 ILE A 67 -4.175 4.957 -3.906 1.00 0.26 H new ATOM 0 HG23 ILE A 67 -2.460 4.613 -4.235 1.00 0.26 H new ATOM 0 HD11 ILE A 67 -0.909 1.513 -2.221 1.00 0.29 H new ATOM 0 HD12 ILE A 67 -2.623 1.534 -2.699 1.00 0.29 H new ATOM 0 HD13 ILE A 67 -1.426 2.456 -3.639 1.00 0.29 H new ATOM 642 N GLU A 68 -4.211 7.194 -2.996 1.00 0.28 N ATOM 643 CA GLU A 68 -5.441 7.942 -3.280 1.00 0.27 C ATOM 644 C GLU A 68 -5.779 7.765 -4.751 1.00 0.24 C ATOM 645 O GLU A 68 -4.909 7.997 -5.578 1.00 0.29 O ATOM 646 CB GLU A 68 -5.152 9.402 -2.960 1.00 0.40 C ATOM 647 CG GLU A 68 -6.233 10.416 -3.361 1.00 0.56 C ATOM 648 CD GLU A 68 -5.944 11.789 -2.745 1.00 0.70 C ATOM 649 OE1 GLU A 68 -6.382 12.020 -1.591 1.00 1.41 O ATOM 650 OE2 GLU A 68 -5.313 12.670 -3.379 1.00 2.17 O ATOM 0 H GLU A 68 -3.623 7.071 -3.821 1.00 0.28 H new ATOM 0 HA GLU A 68 -6.287 7.593 -2.688 1.00 0.27 H new ATOM 0 HB2 GLU A 68 -4.983 9.489 -1.887 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -4.221 9.682 -3.453 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -6.274 10.501 -4.447 1.00 0.56 H new ATOM 0 HG3 GLU A 68 -7.210 10.063 -3.032 1.00 0.56 H new ATOM 657 N SER A 69 -6.986 7.324 -5.101 1.00 0.20 N ATOM 658 CA SER A 69 -7.317 6.971 -6.488 1.00 0.24 C ATOM 659 C SER A 69 -8.796 7.026 -6.771 1.00 0.25 C ATOM 660 O SER A 69 -9.619 6.687 -5.929 1.00 0.20 O ATOM 661 CB SER A 69 -6.866 5.545 -6.795 1.00 0.27 C ATOM 662 OG SER A 69 -6.986 5.269 -8.177 1.00 0.36 O ATOM 0 H SER A 69 -7.756 7.201 -4.444 1.00 0.20 H new ATOM 0 HA SER A 69 -6.802 7.705 -7.108 1.00 0.24 H new ATOM 0 HB2 SER A 69 -5.831 5.410 -6.481 1.00 0.27 H new ATOM 0 HB3 SER A 69 -7.467 4.837 -6.224 1.00 0.27 H new ATOM 0 HG SER A 69 -7.294 4.347 -8.301 1.00 0.36 H new ATOM 668 N GLU A 70 -9.110 7.409 -8.001 1.00 0.36 N ATOM 669 CA GLU A 70 -10.457 7.602 -8.531 1.00 0.38 C ATOM 670 C GLU A 70 -11.325 6.331 -8.425 1.00 0.36 C ATOM 671 O GLU A 70 -12.546 6.405 -8.308 1.00 0.49 O ATOM 672 CB GLU A 70 -10.261 8.031 -9.996 1.00 0.63 C ATOM 673 CG GLU A 70 -11.236 9.104 -10.469 1.00 1.39 C ATOM 674 CD GLU A 70 -12.594 8.558 -10.925 1.00 2.62 C ATOM 675 OE1 GLU A 70 -12.630 7.559 -11.682 1.00 3.01 O ATOM 676 OE2 GLU A 70 -13.629 9.182 -10.590 1.00 4.04 O ATOM 0 H GLU A 70 -8.391 7.605 -8.698 1.00 0.36 H new ATOM 0 HA GLU A 70 -10.997 8.353 -7.954 1.00 0.38 H new ATOM 0 HB2 GLU A 70 -9.243 8.400 -10.122 1.00 0.63 H new ATOM 0 HB3 GLU A 70 -10.364 7.155 -10.636 1.00 0.63 H new ATOM 0 HG2 GLU A 70 -11.396 9.817 -9.660 1.00 1.39 H new ATOM 0 HG3 GLU A 70 -10.782 9.654 -11.293 1.00 1.39 H new ATOM 683 N GLU A 71 -10.684 5.160 -8.408 1.00 0.33 N ATOM 684 CA GLU A 71 -11.316 3.838 -8.307 1.00 0.36 C ATOM 685 C GLU A 71 -11.882 3.492 -6.915 1.00 0.34 C ATOM 686 O GLU A 71 -12.588 2.488 -6.778 1.00 0.49 O ATOM 687 CB GLU A 71 -10.293 2.783 -8.746 1.00 0.39 C ATOM 688 CG GLU A 71 -9.270 2.489 -7.641 1.00 0.32 C ATOM 689 CD GLU A 71 -7.993 1.911 -8.253 1.00 0.46 C ATOM 690 OE1 GLU A 71 -7.047 2.695 -8.503 1.00 1.48 O ATOM 691 OE2 GLU A 71 -7.966 0.689 -8.550 1.00 1.88 O ATOM 0 H GLU A 71 -9.667 5.102 -8.467 1.00 0.33 H new ATOM 0 HA GLU A 71 -12.188 3.853 -8.961 1.00 0.36 H new ATOM 0 HB2 GLU A 71 -10.812 1.863 -9.015 1.00 0.39 H new ATOM 0 HB3 GLU A 71 -9.774 3.129 -9.640 1.00 0.39 H new ATOM 0 HG2 GLU A 71 -9.040 3.403 -7.094 1.00 0.32 H new ATOM 0 HG3 GLU A 71 -9.690 1.785 -6.923 1.00 0.32 H new ATOM 698 N PHE A 72 -11.555 4.271 -5.877 1.00 0.26 N ATOM 699 CA PHE A 72 -11.872 3.951 -4.477 1.00 0.27 C ATOM 700 C PHE A 72 -13.216 4.494 -3.934 1.00 0.34 C ATOM 701 O PHE A 72 -13.478 4.353 -2.735 1.00 0.39 O ATOM 702 CB PHE A 72 -10.684 4.407 -3.613 1.00 0.22 C ATOM 703 CG PHE A 72 -9.473 3.497 -3.539 1.00 0.19 C ATOM 704 CD1 PHE A 72 -9.595 2.106 -3.342 1.00 1.96 C ATOM 705 CD2 PHE A 72 -8.195 4.083 -3.568 1.00 1.93 C ATOM 706 CE1 PHE A 72 -8.447 1.309 -3.183 1.00 1.97 C ATOM 707 CE2 PHE A 72 -7.051 3.292 -3.409 1.00 1.92 C ATOM 708 CZ PHE A 72 -7.177 1.908 -3.217 1.00 0.18 C ATOM 0 H PHE A 72 -11.056 5.154 -5.986 1.00 0.26 H new ATOM 0 HA PHE A 72 -12.021 2.872 -4.428 1.00 0.27 H new ATOM 0 HB2 PHE A 72 -10.352 5.376 -3.985 1.00 0.22 H new ATOM 0 HB3 PHE A 72 -11.049 4.563 -2.598 1.00 0.22 H new ATOM 0 HD1 PHE A 72 -10.574 1.651 -3.313 1.00 1.96 H new ATOM 0 HD2 PHE A 72 -8.096 5.149 -3.714 1.00 1.93 H new ATOM 0 HE1 PHE A 72 -8.541 0.243 -3.036 1.00 1.97 H new ATOM 0 HE2 PHE A 72 -6.072 3.747 -3.434 1.00 1.92 H new ATOM 0 HZ PHE A 72 -6.293 1.300 -3.095 1.00 0.18 H new ATOM 718 N LYS A 73 -14.075 5.108 -4.762 1.00 0.43 N ATOM 719 CA LYS A 73 -15.305 5.797 -4.305 1.00 0.56 C ATOM 720 C LYS A 73 -16.464 4.885 -3.880 1.00 0.65 C ATOM 721 O LYS A 73 -17.119 5.156 -2.874 1.00 0.90 O ATOM 722 CB LYS A 73 -15.729 6.930 -5.267 1.00 0.77 C ATOM 723 CG LYS A 73 -15.737 6.606 -6.771 1.00 0.92 C ATOM 724 CD LYS A 73 -17.097 6.119 -7.281 1.00 1.32 C ATOM 725 CE LYS A 73 -16.993 5.675 -8.745 1.00 1.37 C ATOM 726 NZ LYS A 73 -18.332 5.397 -9.308 1.00 2.56 N ATOM 0 H LYS A 73 -13.941 5.144 -5.773 1.00 0.43 H new ATOM 0 HA LYS A 73 -15.018 6.266 -3.364 1.00 0.56 H new ATOM 0 HB2 LYS A 73 -16.731 7.255 -4.986 1.00 0.77 H new ATOM 0 HB3 LYS A 73 -15.062 7.777 -5.107 1.00 0.77 H new ATOM 0 HG2 LYS A 73 -15.446 7.496 -7.328 1.00 0.92 H new ATOM 0 HG3 LYS A 73 -14.986 5.843 -6.975 1.00 0.92 H new ATOM 0 HD2 LYS A 73 -17.446 5.289 -6.667 1.00 1.32 H new ATOM 0 HD3 LYS A 73 -17.834 6.917 -7.188 1.00 1.32 H new ATOM 0 HE2 LYS A 73 -16.502 6.452 -9.331 1.00 1.37 H new ATOM 0 HE3 LYS A 73 -16.372 4.782 -8.815 1.00 1.37 H new ATOM 0 HZ1 LYS A 73 -18.236 5.098 -10.300 1.00 2.56 H new ATOM 0 HZ2 LYS A 73 -18.788 4.640 -8.761 1.00 2.56 H new ATOM 0 HZ3 LYS A 73 -18.914 6.257 -9.260 1.00 2.56 H new ATOM 740 N GLU A 74 -16.678 3.761 -4.557 1.00 0.63 N ATOM 741 CA GLU A 74 -17.780 2.817 -4.292 1.00 0.80 C ATOM 742 C GLU A 74 -17.417 1.762 -3.217 1.00 0.87 C ATOM 743 O GLU A 74 -17.879 0.616 -3.253 1.00 1.22 O ATOM 744 CB GLU A 74 -18.252 2.225 -5.634 1.00 0.94 C ATOM 745 CG GLU A 74 -19.698 1.706 -5.620 1.00 2.56 C ATOM 746 CD GLU A 74 -20.171 1.378 -7.041 1.00 2.96 C ATOM 747 OE1 GLU A 74 -21.157 1.996 -7.521 1.00 4.12 O ATOM 748 OE2 GLU A 74 -19.525 0.537 -7.711 1.00 2.85 O ATOM 0 H GLU A 74 -16.079 3.466 -5.328 1.00 0.63 H new ATOM 0 HA GLU A 74 -18.622 3.347 -3.847 1.00 0.80 H new ATOM 0 HB2 GLU A 74 -18.159 2.988 -6.407 1.00 0.94 H new ATOM 0 HB3 GLU A 74 -17.587 1.407 -5.911 1.00 0.94 H new ATOM 0 HG2 GLU A 74 -19.764 0.815 -4.995 1.00 2.56 H new ATOM 0 HG3 GLU A 74 -20.354 2.455 -5.177 1.00 2.56 H new ATOM 755 N LYS A 75 -16.518 2.120 -2.288 1.00 0.80 N ATOM 756 CA LYS A 75 -15.803 1.186 -1.403 1.00 0.70 C ATOM 757 C LYS A 75 -15.842 1.596 0.067 1.00 0.73 C ATOM 758 O LYS A 75 -15.510 2.727 0.429 1.00 0.83 O ATOM 759 CB LYS A 75 -14.348 1.020 -1.880 1.00 0.51 C ATOM 760 CG LYS A 75 -14.205 0.527 -3.328 1.00 0.60 C ATOM 761 CD LYS A 75 -14.738 -0.899 -3.542 1.00 0.81 C ATOM 762 CE LYS A 75 -15.087 -1.091 -5.016 1.00 1.11 C ATOM 763 NZ LYS A 75 -15.766 -2.383 -5.255 1.00 1.84 N ATOM 0 H LYS A 75 -16.261 3.094 -2.127 1.00 0.80 H new ATOM 0 HA LYS A 75 -16.324 0.230 -1.465 1.00 0.70 H new ATOM 0 HB2 LYS A 75 -13.836 1.977 -1.783 1.00 0.51 H new ATOM 0 HB3 LYS A 75 -13.840 0.318 -1.219 1.00 0.51 H new ATOM 0 HG2 LYS A 75 -14.737 1.209 -3.991 1.00 0.60 H new ATOM 0 HG3 LYS A 75 -13.154 0.561 -3.614 1.00 0.60 H new ATOM 0 HD2 LYS A 75 -13.989 -1.629 -3.236 1.00 0.81 H new ATOM 0 HD3 LYS A 75 -15.619 -1.067 -2.923 1.00 0.81 H new ATOM 0 HE2 LYS A 75 -15.730 -0.276 -5.347 1.00 1.11 H new ATOM 0 HE3 LYS A 75 -14.177 -1.042 -5.614 1.00 1.11 H new ATOM 0 HZ1 LYS A 75 -15.987 -2.477 -6.267 1.00 1.84 H new ATOM 0 HZ2 LYS A 75 -15.142 -3.162 -4.963 1.00 1.84 H new ATOM 0 HZ3 LYS A 75 -16.647 -2.419 -4.703 1.00 1.84 H new ATOM 777 N ARG A 76 -16.155 0.622 0.929 1.00 0.69 N ATOM 778 CA ARG A 76 -15.952 0.687 2.364 1.00 0.70 C ATOM 779 C ARG A 76 -14.469 0.756 2.702 1.00 0.61 C ATOM 780 O ARG A 76 -13.628 0.445 1.860 1.00 0.49 O ATOM 781 CB ARG A 76 -16.548 -0.558 3.016 1.00 0.70 C ATOM 782 CG ARG A 76 -17.937 -0.980 2.498 1.00 0.85 C ATOM 783 CD ARG A 76 -18.777 -1.713 3.549 1.00 1.33 C ATOM 784 NE ARG A 76 -20.184 -1.840 3.120 1.00 1.58 N ATOM 785 CZ ARG A 76 -20.749 -2.815 2.424 1.00 2.25 C ATOM 786 NH1 ARG A 76 -20.104 -3.873 2.019 1.00 3.74 N ATOM 787 NH2 ARG A 76 -22.011 -2.747 2.114 1.00 2.63 N ATOM 0 H ARG A 76 -16.570 -0.259 0.627 1.00 0.69 H new ATOM 0 HA ARG A 76 -16.441 1.586 2.739 1.00 0.70 H new ATOM 0 HB2 ARG A 76 -15.858 -1.389 2.870 1.00 0.70 H new ATOM 0 HB3 ARG A 76 -16.617 -0.386 4.090 1.00 0.70 H new ATOM 0 HG2 ARG A 76 -18.477 -0.094 2.164 1.00 0.85 H new ATOM 0 HG3 ARG A 76 -17.813 -1.625 1.628 1.00 0.85 H new ATOM 0 HD2 ARG A 76 -18.358 -2.704 3.726 1.00 1.33 H new ATOM 0 HD3 ARG A 76 -18.731 -1.174 4.495 1.00 1.33 H new ATOM 0 HE ARG A 76 -20.802 -1.077 3.396 1.00 1.58 H new ATOM 0 HH11 ARG A 76 -19.113 -3.980 2.236 1.00 3.74 H new ATOM 0 HH12 ARG A 76 -20.590 -4.594 1.485 1.00 3.74 H new ATOM 0 HH21 ARG A 76 -22.566 -1.943 2.407 1.00 2.63 H new ATOM 0 HH22 ARG A 76 -22.446 -3.498 1.578 1.00 2.63 H new ATOM 801 N THR A 77 -14.154 1.027 3.959 1.00 0.70 N ATOM 802 CA THR A 77 -12.782 1.009 4.472 1.00 0.63 C ATOM 803 C THR A 77 -12.032 -0.280 4.150 1.00 0.47 C ATOM 804 O THR A 77 -10.987 -0.250 3.499 1.00 0.37 O ATOM 805 CB THR A 77 -12.816 1.220 5.984 1.00 0.78 C ATOM 806 OG1 THR A 77 -13.570 2.367 6.325 1.00 0.98 O ATOM 807 CG2 THR A 77 -11.413 1.401 6.565 1.00 0.71 C ATOM 0 H THR A 77 -14.849 1.269 4.665 1.00 0.70 H new ATOM 0 HA THR A 77 -12.240 1.814 3.975 1.00 0.63 H new ATOM 0 HB THR A 77 -13.276 0.325 6.402 1.00 0.78 H new ATOM 0 HG1 THR A 77 -13.576 2.477 7.299 1.00 0.98 H new ATOM 0 HG21 THR A 77 -11.482 1.548 7.643 1.00 0.71 H new ATOM 0 HG22 THR A 77 -10.816 0.513 6.357 1.00 0.71 H new ATOM 0 HG23 THR A 77 -10.940 2.271 6.109 1.00 0.71 H new ATOM 815 N VAL A 78 -12.615 -1.420 4.513 1.00 0.48 N ATOM 816 CA VAL A 78 -12.068 -2.746 4.192 1.00 0.41 C ATOM 817 C VAL A 78 -11.987 -2.971 2.676 1.00 0.28 C ATOM 818 O VAL A 78 -10.986 -3.500 2.193 1.00 0.36 O ATOM 819 CB VAL A 78 -12.899 -3.827 4.905 1.00 0.53 C ATOM 820 CG1 VAL A 78 -14.331 -3.881 4.364 1.00 0.58 C ATOM 821 CG2 VAL A 78 -12.251 -5.211 4.822 1.00 0.61 C ATOM 0 H VAL A 78 -13.486 -1.455 5.042 1.00 0.48 H new ATOM 0 HA VAL A 78 -11.043 -2.809 4.557 1.00 0.41 H new ATOM 0 HB VAL A 78 -12.934 -3.541 5.956 1.00 0.53 H new ATOM 0 HG11 VAL A 78 -14.890 -4.655 4.890 1.00 0.58 H new ATOM 0 HG12 VAL A 78 -14.815 -2.916 4.518 1.00 0.58 H new ATOM 0 HG13 VAL A 78 -14.309 -4.110 3.298 1.00 0.58 H new ATOM 0 HG21 VAL A 78 -12.877 -5.937 5.340 1.00 0.61 H new ATOM 0 HG22 VAL A 78 -12.147 -5.502 3.777 1.00 0.61 H new ATOM 0 HG23 VAL A 78 -11.267 -5.181 5.290 1.00 0.61 H new ATOM 831 N GLN A 79 -12.980 -2.494 1.908 1.00 0.31 N ATOM 832 CA GLN A 79 -13.002 -2.700 0.453 1.00 0.38 C ATOM 833 C GLN A 79 -12.008 -1.813 -0.312 1.00 0.43 C ATOM 834 O GLN A 79 -11.621 -2.170 -1.425 1.00 0.75 O ATOM 835 CB GLN A 79 -14.422 -2.580 -0.128 1.00 0.49 C ATOM 836 CG GLN A 79 -15.429 -3.549 0.506 1.00 0.65 C ATOM 837 CD GLN A 79 -16.436 -4.096 -0.502 1.00 0.96 C ATOM 838 OE1 GLN A 79 -16.287 -5.190 -1.036 1.00 1.20 O ATOM 839 NE2 GLN A 79 -17.470 -3.366 -0.854 1.00 1.18 N ATOM 0 H GLN A 79 -13.774 -1.966 2.269 1.00 0.31 H new ATOM 0 HA GLN A 79 -12.666 -3.726 0.305 1.00 0.38 H new ATOM 0 HB2 GLN A 79 -14.777 -1.559 0.010 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -14.383 -2.761 -1.202 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -14.890 -4.380 0.962 1.00 0.65 H new ATOM 0 HG3 GLN A 79 -15.964 -3.038 1.307 1.00 0.65 H new ATOM 0 HE21 GLN A 79 -17.618 -2.452 -0.426 1.00 1.18 H new ATOM 0 HE22 GLN A 79 -18.124 -3.713 -1.555 1.00 1.18 H new ATOM 848 N GLN A 80 -11.548 -0.701 0.271 1.00 0.24 N ATOM 849 CA GLN A 80 -10.377 0.028 -0.218 1.00 0.20 C ATOM 850 C GLN A 80 -9.091 -0.727 0.154 1.00 0.20 C ATOM 851 O GLN A 80 -8.311 -1.087 -0.729 1.00 0.27 O ATOM 852 CB GLN A 80 -10.342 1.461 0.339 1.00 0.22 C ATOM 853 CG GLN A 80 -11.489 2.372 -0.132 1.00 0.27 C ATOM 854 CD GLN A 80 -11.380 3.790 0.436 1.00 0.37 C ATOM 855 OE1 GLN A 80 -10.596 4.081 1.333 1.00 0.34 O ATOM 856 NE2 GLN A 80 -12.140 4.739 -0.058 1.00 0.71 N ATOM 0 H GLN A 80 -11.979 -0.282 1.095 1.00 0.24 H new ATOM 0 HA GLN A 80 -10.446 0.095 -1.304 1.00 0.20 H new ATOM 0 HB2 GLN A 80 -10.361 1.412 1.428 1.00 0.22 H new ATOM 0 HB3 GLN A 80 -9.395 1.921 0.058 1.00 0.22 H new ATOM 0 HG2 GLN A 80 -11.488 2.419 -1.221 1.00 0.27 H new ATOM 0 HG3 GLN A 80 -12.442 1.936 0.168 1.00 0.27 H new ATOM 0 HE21 GLN A 80 -12.801 4.526 -0.805 1.00 0.71 H new ATOM 0 HE22 GLN A 80 -12.069 5.690 0.305 1.00 0.71 H new ATOM 865 N HIS A 81 -8.889 -1.022 1.445 1.00 0.19 N ATOM 866 CA HIS A 81 -7.666 -1.647 1.960 1.00 0.25 C ATOM 867 C HIS A 81 -7.337 -2.986 1.281 1.00 0.21 C ATOM 868 O HIS A 81 -6.196 -3.162 0.853 1.00 0.23 O ATOM 869 CB HIS A 81 -7.773 -1.813 3.482 1.00 0.34 C ATOM 870 CG HIS A 81 -7.700 -0.525 4.270 1.00 0.49 C ATOM 871 ND1 HIS A 81 -8.314 -0.283 5.477 1.00 0.64 N ATOM 872 CD2 HIS A 81 -6.948 0.584 3.985 1.00 0.58 C ATOM 873 CE1 HIS A 81 -7.941 0.932 5.908 1.00 0.78 C ATOM 874 NE2 HIS A 81 -7.092 1.494 5.034 1.00 0.75 N ATOM 0 H HIS A 81 -9.581 -0.830 2.170 1.00 0.19 H new ATOM 0 HA HIS A 81 -6.837 -0.981 1.721 1.00 0.25 H new ATOM 0 HB2 HIS A 81 -8.715 -2.310 3.713 1.00 0.34 H new ATOM 0 HB3 HIS A 81 -6.973 -2.473 3.818 1.00 0.34 H new ATOM 0 HD2 HIS A 81 -6.346 0.730 3.100 1.00 0.58 H new ATOM 0 HE1 HIS A 81 -8.276 1.391 6.826 1.00 0.78 H new ATOM 0 HE2 HIS A 81 -6.641 2.405 5.119 1.00 0.75 H new ATOM 882 N GLN A 82 -8.300 -3.899 1.112 1.00 0.20 N ATOM 883 CA GLN A 82 -8.133 -5.196 0.436 1.00 0.22 C ATOM 884 C GLN A 82 -7.410 -5.082 -0.920 1.00 0.20 C ATOM 885 O GLN A 82 -6.504 -5.870 -1.194 1.00 0.22 O ATOM 886 CB GLN A 82 -9.518 -5.845 0.290 1.00 0.28 C ATOM 887 CG GLN A 82 -9.585 -7.047 -0.667 1.00 0.37 C ATOM 888 CD GLN A 82 -8.730 -8.269 -0.332 1.00 0.73 C ATOM 889 OE1 GLN A 82 -8.064 -8.392 0.694 1.00 1.25 O ATOM 890 NE2 GLN A 82 -8.734 -9.244 -1.210 1.00 0.80 N ATOM 0 H GLN A 82 -9.250 -3.753 1.453 1.00 0.20 H new ATOM 0 HA GLN A 82 -7.487 -5.827 1.047 1.00 0.22 H new ATOM 0 HB2 GLN A 82 -9.855 -6.167 1.275 1.00 0.28 H new ATOM 0 HB3 GLN A 82 -10.221 -5.087 -0.056 1.00 0.28 H new ATOM 0 HG2 GLN A 82 -10.624 -7.371 -0.727 1.00 0.37 H new ATOM 0 HG3 GLN A 82 -9.301 -6.701 -1.661 1.00 0.37 H new ATOM 0 HE21 GLN A 82 -9.282 -9.157 -2.066 1.00 0.80 H new ATOM 0 HE22 GLN A 82 -8.190 -10.089 -1.036 1.00 0.80 H new ATOM 899 N MET A 83 -7.728 -4.071 -1.737 1.00 0.18 N ATOM 900 CA MET A 83 -7.089 -3.884 -3.049 1.00 0.18 C ATOM 901 C MET A 83 -5.588 -3.592 -2.912 1.00 0.18 C ATOM 902 O MET A 83 -4.769 -4.108 -3.672 1.00 0.23 O ATOM 903 CB MET A 83 -7.762 -2.736 -3.819 1.00 0.20 C ATOM 904 CG MET A 83 -9.290 -2.851 -3.882 1.00 0.20 C ATOM 905 SD MET A 83 -10.035 -2.467 -5.486 1.00 1.16 S ATOM 906 CE MET A 83 -9.715 -0.695 -5.587 1.00 0.65 C ATOM 0 H MET A 83 -8.429 -3.364 -1.512 1.00 0.18 H new ATOM 0 HA MET A 83 -7.211 -4.816 -3.601 1.00 0.18 H new ATOM 0 HB2 MET A 83 -7.496 -1.789 -3.348 1.00 0.20 H new ATOM 0 HB3 MET A 83 -7.366 -2.709 -4.834 1.00 0.20 H new ATOM 0 HG2 MET A 83 -9.572 -3.866 -3.604 1.00 0.20 H new ATOM 0 HG3 MET A 83 -9.718 -2.185 -3.133 1.00 0.20 H new ATOM 0 HE1 MET A 83 -9.969 -0.336 -6.584 1.00 0.65 H new ATOM 0 HE2 MET A 83 -10.322 -0.173 -4.848 1.00 0.65 H new ATOM 0 HE3 MET A 83 -8.660 -0.504 -5.390 1.00 0.65 H new ATOM 916 N VAL A 84 -5.229 -2.770 -1.921 1.00 0.16 N ATOM 917 CA VAL A 84 -3.853 -2.355 -1.593 1.00 0.17 C ATOM 918 C VAL A 84 -3.089 -3.478 -0.880 1.00 0.17 C ATOM 919 O VAL A 84 -1.867 -3.538 -0.947 1.00 0.24 O ATOM 920 CB VAL A 84 -3.877 -1.103 -0.686 1.00 0.19 C ATOM 921 CG1 VAL A 84 -2.528 -0.386 -0.624 1.00 0.19 C ATOM 922 CG2 VAL A 84 -4.892 -0.052 -1.126 1.00 0.24 C ATOM 0 H VAL A 84 -5.918 -2.354 -1.294 1.00 0.16 H new ATOM 0 HA VAL A 84 -3.344 -2.125 -2.529 1.00 0.17 H new ATOM 0 HB VAL A 84 -4.149 -1.509 0.288 1.00 0.19 H new ATOM 0 HG11 VAL A 84 -2.608 0.484 0.028 1.00 0.19 H new ATOM 0 HG12 VAL A 84 -1.772 -1.066 -0.230 1.00 0.19 H new ATOM 0 HG13 VAL A 84 -2.241 -0.064 -1.625 1.00 0.19 H new ATOM 0 HG21 VAL A 84 -4.854 0.798 -0.445 1.00 0.24 H new ATOM 0 HG22 VAL A 84 -4.655 0.282 -2.136 1.00 0.24 H new ATOM 0 HG23 VAL A 84 -5.893 -0.484 -1.112 1.00 0.24 H new ATOM 932 N ASN A 85 -3.812 -4.395 -0.232 1.00 0.21 N ATOM 933 CA ASN A 85 -3.283 -5.551 0.489 1.00 0.19 C ATOM 934 C ASN A 85 -2.855 -6.626 -0.521 1.00 0.20 C ATOM 935 O ASN A 85 -1.733 -7.118 -0.474 1.00 0.24 O ATOM 936 CB ASN A 85 -4.376 -6.070 1.451 1.00 0.23 C ATOM 937 CG ASN A 85 -4.364 -5.459 2.833 1.00 0.30 C ATOM 938 OD1 ASN A 85 -4.078 -6.109 3.822 1.00 0.45 O ATOM 939 ND2 ASN A 85 -4.746 -4.219 2.962 1.00 0.29 N ATOM 0 H ASN A 85 -4.830 -4.347 -0.195 1.00 0.21 H new ATOM 0 HA ASN A 85 -2.406 -5.279 1.076 1.00 0.19 H new ATOM 0 HB2 ASN A 85 -5.351 -5.887 0.999 1.00 0.23 H new ATOM 0 HB3 ASN A 85 -4.268 -7.150 1.548 1.00 0.23 H new ATOM 0 HD21 ASN A 85 -4.804 -3.797 3.889 1.00 0.29 H new ATOM 0 HD22 ASN A 85 -4.986 -3.671 2.136 1.00 0.29 H new ATOM 946 N GLN A 86 -3.719 -6.945 -1.487 1.00 0.23 N ATOM 947 CA GLN A 86 -3.461 -7.918 -2.540 1.00 0.28 C ATOM 948 C GLN A 86 -2.344 -7.509 -3.511 1.00 0.28 C ATOM 949 O GLN A 86 -1.722 -8.384 -4.114 1.00 0.38 O ATOM 950 CB GLN A 86 -4.784 -8.078 -3.305 1.00 0.37 C ATOM 951 CG GLN A 86 -5.615 -9.282 -2.846 1.00 0.99 C ATOM 952 CD GLN A 86 -4.883 -10.617 -2.966 1.00 1.27 C ATOM 953 OE1 GLN A 86 -4.162 -10.898 -3.911 1.00 2.15 O ATOM 954 NE2 GLN A 86 -5.000 -11.478 -1.983 1.00 2.52 N ATOM 0 H GLN A 86 -4.643 -6.519 -1.556 1.00 0.23 H new ATOM 0 HA GLN A 86 -3.114 -8.846 -2.085 1.00 0.28 H new ATOM 0 HB2 GLN A 86 -5.376 -7.171 -3.184 1.00 0.37 H new ATOM 0 HB3 GLN A 86 -4.569 -8.179 -4.369 1.00 0.37 H new ATOM 0 HG2 GLN A 86 -5.911 -9.133 -1.808 1.00 0.99 H new ATOM 0 HG3 GLN A 86 -6.531 -9.326 -3.436 1.00 0.99 H new ATOM 0 HE21 GLN A 86 -5.597 -11.262 -1.185 1.00 2.52 H new ATOM 0 HE22 GLN A 86 -4.494 -12.363 -2.017 1.00 2.52 H new ATOM 963 N ALA A 87 -2.058 -6.211 -3.641 1.00 0.24 N ATOM 964 CA ALA A 87 -1.066 -5.680 -4.572 1.00 0.23 C ATOM 965 C ALA A 87 0.345 -6.216 -4.302 1.00 0.27 C ATOM 966 O ALA A 87 1.083 -6.517 -5.238 1.00 0.38 O ATOM 967 CB ALA A 87 -1.106 -4.151 -4.466 1.00 0.24 C ATOM 0 H ALA A 87 -2.520 -5.488 -3.090 1.00 0.24 H new ATOM 0 HA ALA A 87 -1.312 -6.005 -5.583 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -0.375 -3.720 -5.150 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -2.102 -3.794 -4.727 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -0.869 -3.851 -3.445 1.00 0.24 H new ATOM 973 N LEU A 88 0.697 -6.362 -3.022 1.00 0.27 N ATOM 974 CA LEU A 88 2.017 -6.833 -2.586 1.00 0.33 C ATOM 975 C LEU A 88 1.990 -8.101 -1.727 1.00 0.37 C ATOM 976 O LEU A 88 3.038 -8.567 -1.288 1.00 0.47 O ATOM 977 CB LEU A 88 2.829 -5.675 -1.996 1.00 0.37 C ATOM 978 CG LEU A 88 2.508 -5.119 -0.591 1.00 0.43 C ATOM 979 CD1 LEU A 88 1.031 -4.850 -0.331 1.00 0.50 C ATOM 980 CD2 LEU A 88 3.076 -5.984 0.523 1.00 0.45 C ATOM 0 H LEU A 88 0.066 -6.154 -2.248 1.00 0.27 H new ATOM 0 HA LEU A 88 2.547 -7.174 -3.475 1.00 0.33 H new ATOM 0 HB2 LEU A 88 3.873 -5.989 -1.985 1.00 0.37 H new ATOM 0 HB3 LEU A 88 2.753 -4.842 -2.695 1.00 0.37 H new ATOM 0 HG LEU A 88 3.008 -4.150 -0.583 1.00 0.43 H new ATOM 0 HD11 LEU A 88 0.904 -4.462 0.680 1.00 0.50 H new ATOM 0 HD12 LEU A 88 0.663 -4.118 -1.049 1.00 0.50 H new ATOM 0 HD13 LEU A 88 0.468 -5.777 -0.437 1.00 0.50 H new ATOM 0 HD21 LEU A 88 2.821 -5.547 1.489 1.00 0.45 H new ATOM 0 HD22 LEU A 88 2.655 -6.987 0.456 1.00 0.45 H new ATOM 0 HD23 LEU A 88 4.160 -6.039 0.424 1.00 0.45 H new ATOM 992 N LYS A 89 0.811 -8.695 -1.512 1.00 0.36 N ATOM 993 CA LYS A 89 0.622 -9.912 -0.711 1.00 0.42 C ATOM 994 C LYS A 89 1.522 -11.053 -1.161 1.00 0.51 C ATOM 995 O LYS A 89 2.069 -11.776 -0.330 1.00 0.63 O ATOM 996 CB LYS A 89 -0.860 -10.309 -0.762 1.00 0.43 C ATOM 997 CG LYS A 89 -1.096 -11.684 -0.127 1.00 0.53 C ATOM 998 CD LYS A 89 -2.456 -11.795 0.559 1.00 0.81 C ATOM 999 CE LYS A 89 -2.604 -10.875 1.779 1.00 2.59 C ATOM 1000 NZ LYS A 89 -3.964 -10.996 2.354 1.00 2.98 N ATOM 0 H LYS A 89 -0.061 -8.334 -1.900 1.00 0.36 H new ATOM 0 HA LYS A 89 0.911 -9.700 0.318 1.00 0.42 H new ATOM 0 HB2 LYS A 89 -1.456 -9.560 -0.242 1.00 0.43 H new ATOM 0 HB3 LYS A 89 -1.199 -10.323 -1.798 1.00 0.43 H new ATOM 0 HG2 LYS A 89 -1.019 -12.452 -0.896 1.00 0.53 H new ATOM 0 HG3 LYS A 89 -0.310 -11.882 0.601 1.00 0.53 H new ATOM 0 HD2 LYS A 89 -3.238 -11.557 -0.162 1.00 0.81 H new ATOM 0 HD3 LYS A 89 -2.613 -12.827 0.871 1.00 0.81 H new ATOM 0 HE2 LYS A 89 -1.860 -11.135 2.531 1.00 2.59 H new ATOM 0 HE3 LYS A 89 -2.416 -9.842 1.488 1.00 2.59 H new ATOM 0 HZ1 LYS A 89 -4.049 -10.368 3.179 1.00 2.98 H new ATOM 0 HZ2 LYS A 89 -4.669 -10.726 1.638 1.00 2.98 H new ATOM 0 HZ3 LYS A 89 -4.130 -11.979 2.649 1.00 2.98 H new ATOM 1014 N GLU A 90 1.693 -11.212 -2.465 1.00 0.53 N ATOM 1015 CA GLU A 90 2.449 -12.306 -3.041 1.00 0.70 C ATOM 1016 C GLU A 90 3.975 -12.038 -3.047 1.00 0.74 C ATOM 1017 O GLU A 90 4.780 -12.925 -3.345 1.00 0.96 O ATOM 1018 CB GLU A 90 1.836 -12.583 -4.419 1.00 0.75 C ATOM 1019 CG GLU A 90 0.668 -13.579 -4.307 1.00 1.09 C ATOM 1020 CD GLU A 90 -0.081 -13.840 -5.624 1.00 1.23 C ATOM 1021 OE1 GLU A 90 0.395 -13.473 -6.724 1.00 1.75 O ATOM 1022 OE2 GLU A 90 -1.161 -14.484 -5.569 1.00 2.14 O ATOM 0 H GLU A 90 1.304 -10.574 -3.159 1.00 0.53 H new ATOM 0 HA GLU A 90 2.372 -13.207 -2.432 1.00 0.70 H new ATOM 0 HB2 GLU A 90 1.484 -11.650 -4.859 1.00 0.75 H new ATOM 0 HB3 GLU A 90 2.598 -12.983 -5.087 1.00 0.75 H new ATOM 0 HG2 GLU A 90 1.051 -14.527 -3.929 1.00 1.09 H new ATOM 0 HG3 GLU A 90 -0.042 -13.205 -3.569 1.00 1.09 H new ATOM 1029 N GLU A 91 4.388 -10.831 -2.652 1.00 0.63 N ATOM 1030 CA GLU A 91 5.757 -10.419 -2.334 1.00 0.68 C ATOM 1031 C GLU A 91 6.037 -10.501 -0.820 1.00 0.65 C ATOM 1032 O GLU A 91 7.055 -11.074 -0.422 1.00 0.81 O ATOM 1033 CB GLU A 91 5.947 -8.976 -2.837 1.00 0.73 C ATOM 1034 CG GLU A 91 6.548 -8.835 -4.234 1.00 0.58 C ATOM 1035 CD GLU A 91 5.960 -9.768 -5.306 1.00 1.51 C ATOM 1036 OE1 GLU A 91 6.737 -10.585 -5.871 1.00 1.94 O ATOM 1037 OE2 GLU A 91 4.766 -9.659 -5.662 1.00 2.77 O ATOM 0 H GLU A 91 3.728 -10.062 -2.538 1.00 0.63 H new ATOM 0 HA GLU A 91 6.461 -11.092 -2.824 1.00 0.68 H new ATOM 0 HB2 GLU A 91 4.978 -8.477 -2.826 1.00 0.73 H new ATOM 0 HB3 GLU A 91 6.587 -8.446 -2.131 1.00 0.73 H new ATOM 0 HG2 GLU A 91 6.418 -7.804 -4.564 1.00 0.58 H new ATOM 0 HG3 GLU A 91 7.621 -9.016 -4.169 1.00 0.58 H new ATOM 1044 N ILE A 92 5.150 -9.938 0.014 1.00 0.57 N ATOM 1045 CA ILE A 92 5.178 -9.908 1.489 1.00 0.61 C ATOM 1046 C ILE A 92 3.731 -9.909 2.019 1.00 0.61 C ATOM 1047 O ILE A 92 3.025 -8.910 1.908 1.00 0.75 O ATOM 1048 CB ILE A 92 5.930 -8.654 2.011 1.00 0.64 C ATOM 1049 CG1 ILE A 92 7.372 -8.605 1.459 1.00 0.87 C ATOM 1050 CG2 ILE A 92 5.921 -8.631 3.555 1.00 0.70 C ATOM 1051 CD1 ILE A 92 8.262 -7.522 2.067 1.00 1.08 C ATOM 0 H ILE A 92 4.330 -9.454 -0.351 1.00 0.57 H new ATOM 0 HA ILE A 92 5.709 -10.790 1.847 1.00 0.61 H new ATOM 0 HB ILE A 92 5.412 -7.764 1.653 1.00 0.64 H new ATOM 0 HG12 ILE A 92 7.841 -9.575 1.625 1.00 0.87 H new ATOM 0 HG13 ILE A 92 7.327 -8.453 0.381 1.00 0.87 H new ATOM 0 HG21 ILE A 92 6.451 -7.747 3.909 1.00 0.70 H new ATOM 0 HG22 ILE A 92 4.892 -8.604 3.912 1.00 0.70 H new ATOM 0 HG23 ILE A 92 6.414 -9.526 3.935 1.00 0.70 H new ATOM 0 HD11 ILE A 92 9.253 -7.569 1.615 1.00 1.08 H new ATOM 0 HD12 ILE A 92 7.823 -6.542 1.878 1.00 1.08 H new ATOM 0 HD13 ILE A 92 8.346 -7.681 3.142 1.00 1.08 H new ATOM 1063 N LYS A 93 3.264 -10.993 2.647 1.00 0.58 N ATOM 1064 CA LYS A 93 1.856 -11.135 3.055 1.00 0.63 C ATOM 1065 C LYS A 93 1.437 -10.540 4.410 1.00 0.65 C ATOM 1066 O LYS A 93 0.295 -10.681 4.847 1.00 0.58 O ATOM 1067 CB LYS A 93 1.493 -12.613 2.982 1.00 0.75 C ATOM 1068 CG LYS A 93 2.179 -13.520 4.021 1.00 1.60 C ATOM 1069 CD LYS A 93 1.495 -14.893 4.122 1.00 1.75 C ATOM 1070 CE LYS A 93 0.128 -14.760 4.806 1.00 3.50 C ATOM 1071 NZ LYS A 93 -0.641 -16.022 4.787 1.00 4.01 N ATOM 0 H LYS A 93 3.846 -11.795 2.888 1.00 0.58 H new ATOM 0 HA LYS A 93 1.293 -10.520 2.353 1.00 0.63 H new ATOM 0 HB2 LYS A 93 0.414 -12.710 3.099 1.00 0.75 H new ATOM 0 HB3 LYS A 93 1.740 -12.980 1.986 1.00 0.75 H new ATOM 0 HG2 LYS A 93 3.226 -13.655 3.750 1.00 1.60 H new ATOM 0 HG3 LYS A 93 2.162 -13.033 4.996 1.00 1.60 H new ATOM 0 HD2 LYS A 93 1.371 -15.319 3.126 1.00 1.75 H new ATOM 0 HD3 LYS A 93 2.126 -15.580 4.686 1.00 1.75 H new ATOM 0 HE2 LYS A 93 0.272 -14.442 5.839 1.00 3.50 H new ATOM 0 HE3 LYS A 93 -0.449 -13.980 4.309 1.00 3.50 H new ATOM 0 HZ1 LYS A 93 -1.555 -15.878 5.261 1.00 4.01 H new ATOM 0 HZ2 LYS A 93 -0.804 -16.315 3.802 1.00 4.01 H new ATOM 0 HZ3 LYS A 93 -0.106 -16.762 5.284 1.00 4.01 H new ATOM 1085 N GLU A 94 2.391 -9.938 5.095 1.00 0.79 N ATOM 1086 CA GLU A 94 2.454 -9.623 6.506 1.00 0.76 C ATOM 1087 C GLU A 94 1.625 -8.408 6.960 1.00 0.69 C ATOM 1088 O GLU A 94 2.107 -7.541 7.689 1.00 0.81 O ATOM 1089 CB GLU A 94 3.947 -9.471 6.790 1.00 1.07 C ATOM 1090 CG GLU A 94 4.829 -10.688 6.468 1.00 1.61 C ATOM 1091 CD GLU A 94 4.570 -11.858 7.420 1.00 1.77 C ATOM 1092 OE1 GLU A 94 3.477 -12.466 7.382 1.00 2.86 O ATOM 1093 OE2 GLU A 94 5.490 -12.198 8.202 1.00 2.54 O ATOM 0 H GLU A 94 3.236 -9.623 4.619 1.00 0.79 H new ATOM 0 HA GLU A 94 1.987 -10.416 7.090 1.00 0.76 H new ATOM 0 HB2 GLU A 94 4.319 -8.619 6.221 1.00 1.07 H new ATOM 0 HB3 GLU A 94 4.072 -9.228 7.845 1.00 1.07 H new ATOM 0 HG2 GLU A 94 4.643 -11.008 5.443 1.00 1.61 H new ATOM 0 HG3 GLU A 94 5.879 -10.400 6.527 1.00 1.61 H new ATOM 1100 N MET A 95 0.353 -8.311 6.569 1.00 0.64 N ATOM 1101 CA MET A 95 -0.493 -7.159 6.919 1.00 0.77 C ATOM 1102 C MET A 95 -0.905 -7.066 8.405 1.00 0.72 C ATOM 1103 O MET A 95 -1.547 -6.089 8.807 1.00 0.91 O ATOM 1104 CB MET A 95 -1.640 -6.982 5.910 1.00 0.87 C ATOM 1105 CG MET A 95 -1.074 -6.671 4.516 1.00 0.95 C ATOM 1106 SD MET A 95 -1.005 -8.067 3.365 1.00 1.16 S ATOM 1107 CE MET A 95 0.085 -7.305 2.140 1.00 1.91 C ATOM 0 H MET A 95 -0.120 -9.019 6.007 1.00 0.64 H new ATOM 0 HA MET A 95 0.141 -6.278 6.820 1.00 0.77 H new ATOM 0 HB2 MET A 95 -2.244 -7.888 5.872 1.00 0.87 H new ATOM 0 HB3 MET A 95 -2.297 -6.174 6.233 1.00 0.87 H new ATOM 0 HG2 MET A 95 -1.679 -5.883 4.066 1.00 0.95 H new ATOM 0 HG3 MET A 95 -0.067 -6.272 4.634 1.00 0.95 H new ATOM 0 HE1 MET A 95 0.012 -7.850 1.199 1.00 1.91 H new ATOM 0 HE2 MET A 95 -0.213 -6.268 1.983 1.00 1.91 H new ATOM 0 HE3 MET A 95 1.114 -7.336 2.499 1.00 1.91 H new ATOM 1117 N HIS A 96 -0.413 -7.977 9.254 1.00 0.55 N ATOM 1118 CA HIS A 96 -0.271 -7.777 10.702 1.00 0.58 C ATOM 1119 C HIS A 96 0.772 -6.709 11.102 1.00 0.68 C ATOM 1120 O HIS A 96 0.774 -6.255 12.250 1.00 1.17 O ATOM 1121 CB HIS A 96 -0.020 -9.122 11.403 1.00 0.67 C ATOM 1122 CG HIS A 96 1.295 -9.808 11.106 1.00 1.66 C ATOM 1123 ND1 HIS A 96 1.484 -10.873 10.253 1.00 3.63 N ATOM 1124 CD2 HIS A 96 2.484 -9.612 11.760 1.00 1.74 C ATOM 1125 CE1 HIS A 96 2.743 -11.315 10.396 1.00 4.40 C ATOM 1126 NE2 HIS A 96 3.396 -10.578 11.311 1.00 3.20 N ATOM 0 H HIS A 96 -0.095 -8.896 8.946 1.00 0.55 H new ATOM 0 HA HIS A 96 -1.220 -7.368 11.049 1.00 0.58 H new ATOM 0 HB2 HIS A 96 -0.085 -8.962 12.479 1.00 0.67 H new ATOM 0 HB3 HIS A 96 -0.827 -9.802 11.133 1.00 0.67 H new ATOM 0 HD2 HIS A 96 2.684 -8.846 12.494 1.00 1.74 H new ATOM 0 HE1 HIS A 96 3.171 -12.145 9.853 1.00 4.40 H new ATOM 0 HE2 HIS A 96 4.362 -10.697 11.617 1.00 3.20 H new ATOM 1134 N GLY A 97 1.625 -6.279 10.168 1.00 0.40 N ATOM 1135 CA GLY A 97 2.562 -5.156 10.308 1.00 0.43 C ATOM 1136 C GLY A 97 2.203 -3.902 9.495 1.00 0.38 C ATOM 1137 O GLY A 97 2.588 -2.789 9.850 1.00 0.49 O ATOM 0 H GLY A 97 1.685 -6.723 9.252 1.00 0.40 H new ATOM 0 HA2 GLY A 97 2.622 -4.882 11.361 1.00 0.43 H new ATOM 0 HA3 GLY A 97 3.555 -5.492 10.009 1.00 0.43 H new ATOM 1141 N LEU A 98 1.462 -4.054 8.401 1.00 0.39 N ATOM 1142 CA LEU A 98 1.156 -2.957 7.469 1.00 0.38 C ATOM 1143 C LEU A 98 0.047 -2.018 7.968 1.00 0.41 C ATOM 1144 O LEU A 98 -0.956 -2.449 8.545 1.00 0.66 O ATOM 1145 CB LEU A 98 0.917 -3.470 6.051 1.00 0.43 C ATOM 1146 CG LEU A 98 2.269 -3.757 5.369 1.00 0.54 C ATOM 1147 CD1 LEU A 98 2.886 -5.109 5.681 1.00 1.54 C ATOM 1148 CD2 LEU A 98 2.104 -3.628 3.877 1.00 1.15 C ATOM 0 H LEU A 98 1.051 -4.947 8.128 1.00 0.39 H new ATOM 0 HA LEU A 98 2.048 -2.331 7.430 1.00 0.38 H new ATOM 0 HB2 LEU A 98 0.313 -4.377 6.079 1.00 0.43 H new ATOM 0 HB3 LEU A 98 0.358 -2.732 5.476 1.00 0.43 H new ATOM 0 HG LEU A 98 2.961 -3.020 5.777 1.00 0.54 H new ATOM 0 HD11 LEU A 98 3.833 -5.208 5.151 1.00 1.54 H new ATOM 0 HD12 LEU A 98 3.060 -5.190 6.754 1.00 1.54 H new ATOM 0 HD13 LEU A 98 2.208 -5.901 5.363 1.00 1.54 H new ATOM 0 HD21 LEU A 98 3.056 -3.830 3.387 1.00 1.15 H new ATOM 0 HD22 LEU A 98 1.359 -4.344 3.530 1.00 1.15 H new ATOM 0 HD23 LEU A 98 1.777 -2.617 3.633 1.00 1.15 H new ATOM 1160 N ARG A 99 0.245 -0.725 7.704 1.00 0.31 N ATOM 1161 CA ARG A 99 -0.608 0.406 8.098 1.00 0.31 C ATOM 1162 C ARG A 99 -0.984 1.231 6.864 1.00 0.28 C ATOM 1163 O ARG A 99 -0.159 1.980 6.344 1.00 0.32 O ATOM 1164 CB ARG A 99 0.131 1.230 9.162 1.00 0.33 C ATOM 1165 CG ARG A 99 -0.857 2.151 9.887 1.00 0.42 C ATOM 1166 CD ARG A 99 -0.100 3.142 10.761 1.00 0.54 C ATOM 1167 NE ARG A 99 -1.042 3.994 11.498 1.00 1.59 N ATOM 1168 CZ ARG A 99 -0.880 4.598 12.658 1.00 2.03 C ATOM 1169 NH1 ARG A 99 0.229 4.581 13.343 1.00 1.96 N ATOM 1170 NH2 ARG A 99 -1.899 5.236 13.139 1.00 3.16 N ATOM 0 H ARG A 99 1.060 -0.416 7.174 1.00 0.31 H new ATOM 0 HA ARG A 99 -1.543 0.055 8.534 1.00 0.31 H new ATOM 0 HB2 ARG A 99 0.615 0.566 9.878 1.00 0.33 H new ATOM 0 HB3 ARG A 99 0.918 1.822 8.694 1.00 0.33 H new ATOM 0 HG2 ARG A 99 -1.468 2.687 9.160 1.00 0.42 H new ATOM 0 HG3 ARG A 99 -1.537 1.559 10.499 1.00 0.42 H new ATOM 0 HD2 ARG A 99 0.540 2.605 11.461 1.00 0.54 H new ATOM 0 HD3 ARG A 99 0.552 3.759 10.142 1.00 0.54 H new ATOM 0 HE ARG A 99 -1.947 4.138 11.050 1.00 1.59 H new ATOM 0 HH11 ARG A 99 1.041 4.077 12.986 1.00 1.96 H new ATOM 0 HH12 ARG A 99 0.285 5.071 14.236 1.00 1.96 H new ATOM 0 HH21 ARG A 99 -2.779 5.255 12.623 1.00 3.16 H new ATOM 0 HH22 ARG A 99 -1.822 5.719 14.034 1.00 3.16 H new ATOM 1184 N ILE A 100 -2.207 1.046 6.365 1.00 0.24 N ATOM 1185 CA ILE A 100 -2.670 1.615 5.084 1.00 0.20 C ATOM 1186 C ILE A 100 -3.675 2.749 5.248 1.00 0.23 C ATOM 1187 O ILE A 100 -4.429 2.859 6.221 1.00 0.41 O ATOM 1188 CB ILE A 100 -3.141 0.513 4.086 1.00 0.24 C ATOM 1189 CG1 ILE A 100 -2.241 -0.742 4.152 1.00 0.36 C ATOM 1190 CG2 ILE A 100 -3.258 1.048 2.643 1.00 0.37 C ATOM 1191 CD1 ILE A 100 -2.562 -1.813 3.111 1.00 0.44 C ATOM 0 H ILE A 100 -2.918 0.491 6.840 1.00 0.24 H new ATOM 0 HA ILE A 100 -1.796 2.084 4.632 1.00 0.20 H new ATOM 0 HB ILE A 100 -4.142 0.214 4.398 1.00 0.24 H new ATOM 0 HG12 ILE A 100 -1.203 -0.435 4.029 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -2.327 -1.183 5.145 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -3.589 0.246 1.983 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -3.981 1.863 2.615 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.286 1.414 2.311 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -1.881 -2.655 3.233 1.00 0.44 H new ATOM 0 HD12 ILE A 100 -3.588 -2.154 3.245 1.00 0.44 H new ATOM 0 HD13 ILE A 100 -2.446 -1.395 2.111 1.00 0.44 H new ATOM 1203 N PHE A 101 -3.585 3.622 4.253 1.00 0.19 N ATOM 1204 CA PHE A 101 -4.231 4.905 4.128 1.00 0.21 C ATOM 1205 C PHE A 101 -4.694 5.083 2.669 1.00 0.21 C ATOM 1206 O PHE A 101 -3.876 5.052 1.750 1.00 0.36 O ATOM 1207 CB PHE A 101 -3.144 5.913 4.500 1.00 0.27 C ATOM 1208 CG PHE A 101 -2.662 5.907 5.934 1.00 0.33 C ATOM 1209 CD1 PHE A 101 -1.588 5.079 6.300 1.00 1.85 C ATOM 1210 CD2 PHE A 101 -3.243 6.760 6.890 1.00 1.71 C ATOM 1211 CE1 PHE A 101 -1.106 5.080 7.614 1.00 1.88 C ATOM 1212 CE2 PHE A 101 -2.745 6.778 8.205 1.00 1.75 C ATOM 1213 CZ PHE A 101 -1.677 5.940 8.568 1.00 0.61 C ATOM 0 H PHE A 101 -3.001 3.423 3.441 1.00 0.19 H new ATOM 0 HA PHE A 101 -5.111 5.023 4.760 1.00 0.21 H new ATOM 0 HB2 PHE A 101 -2.284 5.738 3.853 1.00 0.27 H new ATOM 0 HB3 PHE A 101 -3.516 6.912 4.272 1.00 0.27 H new ATOM 0 HD1 PHE A 101 -1.131 4.437 5.562 1.00 1.85 H new ATOM 0 HD2 PHE A 101 -4.069 7.399 6.615 1.00 1.71 H new ATOM 0 HE1 PHE A 101 -0.297 4.421 7.894 1.00 1.88 H new ATOM 0 HE2 PHE A 101 -3.185 7.438 8.938 1.00 1.75 H new ATOM 0 HZ PHE A 101 -1.296 5.957 9.578 1.00 0.61 H new ATOM 1223 N THR A 102 -5.996 5.248 2.438 1.00 0.17 N ATOM 1224 CA THR A 102 -6.618 5.376 1.100 1.00 0.18 C ATOM 1225 C THR A 102 -7.662 6.476 1.082 1.00 0.21 C ATOM 1226 O THR A 102 -8.413 6.693 2.039 1.00 0.31 O ATOM 1227 CB THR A 102 -7.327 4.083 0.665 1.00 0.23 C ATOM 1228 OG1 THR A 102 -8.007 3.463 1.730 1.00 0.30 O ATOM 1229 CG2 THR A 102 -6.353 3.045 0.129 1.00 0.41 C ATOM 0 H THR A 102 -6.678 5.299 3.195 1.00 0.17 H new ATOM 0 HA THR A 102 -5.799 5.603 0.417 1.00 0.18 H new ATOM 0 HB THR A 102 -8.024 4.401 -0.110 1.00 0.23 H new ATOM 0 HG1 THR A 102 -8.972 3.494 1.564 1.00 0.30 H new ATOM 0 HG21 THR A 102 -6.901 2.150 -0.165 1.00 0.41 H new ATOM 0 HG22 THR A 102 -5.829 3.451 -0.736 1.00 0.41 H new ATOM 0 HG23 THR A 102 -5.630 2.790 0.904 1.00 0.41 H new ATOM 1237 N SER A 103 -7.732 7.142 -0.061 1.00 0.32 N ATOM 1238 CA SER A 103 -8.696 8.195 -0.353 1.00 0.39 C ATOM 1239 C SER A 103 -9.066 8.217 -1.836 1.00 0.35 C ATOM 1240 O SER A 103 -8.556 7.416 -2.624 1.00 0.25 O ATOM 1241 CB SER A 103 -8.147 9.552 0.115 1.00 0.47 C ATOM 1242 OG SER A 103 -6.771 9.746 -0.154 1.00 0.76 O ATOM 0 H SER A 103 -7.098 6.958 -0.838 1.00 0.32 H new ATOM 0 HA SER A 103 -9.614 7.988 0.197 1.00 0.39 H new ATOM 0 HB2 SER A 103 -8.715 10.347 -0.368 1.00 0.47 H new ATOM 0 HB3 SER A 103 -8.313 9.648 1.188 1.00 0.47 H new ATOM 0 HG SER A 103 -6.634 10.640 -0.531 1.00 0.76 H new ATOM 1248 N VAL A 104 -9.964 9.117 -2.234 1.00 0.45 N ATOM 1249 CA VAL A 104 -10.429 9.223 -3.625 1.00 0.39 C ATOM 1250 C VAL A 104 -10.710 10.673 -4.038 1.00 0.45 C ATOM 1251 O VAL A 104 -11.333 11.412 -3.276 1.00 0.56 O ATOM 1252 CB VAL A 104 -11.645 8.302 -3.850 1.00 0.36 C ATOM 1253 CG1 VAL A 104 -12.814 8.539 -2.905 1.00 0.42 C ATOM 1254 CG2 VAL A 104 -12.197 8.383 -5.267 1.00 0.32 C ATOM 0 H VAL A 104 -10.393 9.796 -1.604 1.00 0.45 H new ATOM 0 HA VAL A 104 -9.624 8.884 -4.277 1.00 0.39 H new ATOM 0 HB VAL A 104 -11.227 7.316 -3.650 1.00 0.36 H new ATOM 0 HG11 VAL A 104 -13.620 7.844 -3.142 1.00 0.42 H new ATOM 0 HG12 VAL A 104 -12.489 8.381 -1.877 1.00 0.42 H new ATOM 0 HG13 VAL A 104 -13.172 9.562 -3.019 1.00 0.42 H new ATOM 0 HG21 VAL A 104 -13.051 7.713 -5.364 1.00 0.32 H new ATOM 0 HG22 VAL A 104 -12.512 9.405 -5.477 1.00 0.32 H new ATOM 0 HG23 VAL A 104 -11.423 8.089 -5.976 1.00 0.32 H new ATOM 1264 N PRO A 105 -10.273 11.095 -5.241 1.00 0.46 N ATOM 1265 CA PRO A 105 -10.542 12.424 -5.767 1.00 0.60 C ATOM 1266 C PRO A 105 -11.948 12.500 -6.376 1.00 0.65 C ATOM 1267 O PRO A 105 -12.243 11.952 -7.448 1.00 0.76 O ATOM 1268 CB PRO A 105 -9.410 12.684 -6.762 1.00 0.67 C ATOM 1269 CG PRO A 105 -9.090 11.294 -7.313 1.00 0.55 C ATOM 1270 CD PRO A 105 -9.362 10.385 -6.129 1.00 0.43 C ATOM 0 HA PRO A 105 -10.552 13.199 -5.001 1.00 0.60 H new ATOM 0 HB2 PRO A 105 -9.720 13.367 -7.553 1.00 0.67 H new ATOM 0 HB3 PRO A 105 -8.543 13.132 -6.276 1.00 0.67 H new ATOM 0 HG2 PRO A 105 -9.720 11.044 -8.167 1.00 0.55 H new ATOM 0 HG3 PRO A 105 -8.055 11.221 -7.648 1.00 0.55 H new ATOM 0 HD2 PRO A 105 -9.802 9.444 -6.459 1.00 0.43 H new ATOM 0 HD3 PRO A 105 -8.435 10.139 -5.612 1.00 0.43 H new ATOM 1278 N LYS A 106 -12.832 13.165 -5.633 1.00 0.78 N ATOM 1279 CA LYS A 106 -14.294 13.084 -5.772 1.00 0.95 C ATOM 1280 C LYS A 106 -15.004 14.449 -5.724 1.00 1.28 C ATOM 1281 O LYS A 106 -16.183 14.532 -5.373 1.00 1.83 O ATOM 1282 CB LYS A 106 -14.795 12.086 -4.704 1.00 1.14 C ATOM 1283 CG LYS A 106 -15.684 10.950 -5.237 1.00 1.59 C ATOM 1284 CD LYS A 106 -16.994 11.374 -5.923 1.00 1.77 C ATOM 1285 CE LYS A 106 -17.675 10.188 -6.631 1.00 2.05 C ATOM 1286 NZ LYS A 106 -17.158 9.983 -8.007 1.00 3.94 N ATOM 0 H LYS A 106 -12.543 13.800 -4.889 1.00 0.78 H new ATOM 0 HA LYS A 106 -14.548 12.723 -6.769 1.00 0.95 H new ATOM 0 HB2 LYS A 106 -13.931 11.647 -4.206 1.00 1.14 H new ATOM 0 HB3 LYS A 106 -15.352 12.638 -3.947 1.00 1.14 H new ATOM 0 HG2 LYS A 106 -15.101 10.363 -5.947 1.00 1.59 H new ATOM 0 HG3 LYS A 106 -15.931 10.290 -4.405 1.00 1.59 H new ATOM 0 HD2 LYS A 106 -17.674 11.794 -5.182 1.00 1.77 H new ATOM 0 HD3 LYS A 106 -16.787 12.161 -6.648 1.00 1.77 H new ATOM 0 HE2 LYS A 106 -17.519 9.281 -6.047 1.00 2.05 H new ATOM 0 HE3 LYS A 106 -18.751 10.360 -6.671 1.00 2.05 H new ATOM 0 HZ1 LYS A 106 -17.645 9.175 -8.444 1.00 3.94 H new ATOM 0 HZ2 LYS A 106 -17.330 10.838 -8.573 1.00 3.94 H new ATOM 0 HZ3 LYS A 106 -16.136 9.792 -7.969 1.00 3.94 H new ATOM 1300 N ARG A 107 -14.277 15.513 -6.083 1.00 1.45 N ATOM 1301 CA ARG A 107 -14.781 16.901 -6.180 1.00 1.85 C ATOM 1302 C ARG A 107 -15.600 17.113 -7.447 1.00 2.17 C ATOM 1303 O ARG A 107 -16.663 17.761 -7.359 1.00 2.66 O ATOM 1304 CB ARG A 107 -13.622 17.911 -6.017 1.00 2.48 C ATOM 1305 CG ARG A 107 -14.075 19.387 -6.014 1.00 3.29 C ATOM 1306 CD ARG A 107 -12.931 20.345 -5.633 1.00 4.40 C ATOM 1307 NE ARG A 107 -13.339 21.763 -5.713 1.00 5.41 N ATOM 1308 CZ ARG A 107 -13.238 22.698 -4.786 1.00 6.56 C ATOM 1309 NH1 ARG A 107 -12.678 22.541 -3.628 1.00 7.21 N ATOM 1310 NH2 ARG A 107 -13.702 23.885 -5.012 1.00 7.59 N ATOM 1311 OXT ARG A 107 -15.175 16.660 -8.535 1.00 3.20 O ATOM 0 H ARG A 107 -13.289 15.437 -6.323 1.00 1.45 H new ATOM 0 HA ARG A 107 -15.471 17.082 -5.356 1.00 1.85 H new ATOM 0 HB2 ARG A 107 -13.098 17.700 -5.085 1.00 2.48 H new ATOM 0 HB3 ARG A 107 -12.907 17.762 -6.826 1.00 2.48 H new ATOM 0 HG2 ARG A 107 -14.454 19.651 -7.001 1.00 3.29 H new ATOM 0 HG3 ARG A 107 -14.900 19.511 -5.312 1.00 3.29 H new ATOM 0 HD2 ARG A 107 -12.595 20.122 -4.620 1.00 4.40 H new ATOM 0 HD3 ARG A 107 -12.082 20.175 -6.295 1.00 4.40 H new ATOM 0 HE ARG A 107 -13.752 22.057 -6.598 1.00 5.41 H new ATOM 0 HH11 ARG A 107 -12.272 21.640 -3.376 1.00 7.21 H new ATOM 0 HH12 ARG A 107 -12.643 23.319 -2.969 1.00 7.21 H new ATOM 0 HH21 ARG A 107 -14.145 24.098 -5.906 1.00 7.59 H new ATOM 0 HH22 ARG A 107 -13.624 24.608 -4.296 1.00 7.59 H new TER 1325 ARG A 107