USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 497 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 109 ASN : amide:sc= -0.11 X(o=-0.23,f=-0.051) USER MOD Set 1.2: A 112 LYS NZ :NH3+ -117:sc= -0.116 (180deg=-0.671) USER MOD Set 2.1: A 73 ASN : amide:sc=-0.00322 X(o=-0.0032,f=-0.44) USER MOD Set 2.2: A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 70 TYR OH : rot 120:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0742 USER MOD Single : A 79 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 82 LYS NZ :NH3+ 128:sc= 0.0267 (180deg=-0.0603) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -163:sc= -0.2 (180deg=-0.662) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 110 LYS NZ :NH3+ -168:sc= -0.0351 (180deg=-0.19) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= -0.939 X(o=-0.94,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 59 -2.907 -12.176 0.131 1.00 0.00 N ATOM 2 CA TRP A 59 -2.236 -10.861 0.057 1.00 0.00 C ATOM 3 C TRP A 59 -3.017 -9.968 -0.861 1.00 0.00 C ATOM 4 O TRP A 59 -2.566 -9.611 -1.944 1.00 0.00 O ATOM 5 CB TRP A 59 -0.763 -11.057 -0.364 1.00 0.00 C ATOM 6 CG TRP A 59 -0.143 -12.327 0.167 1.00 0.00 C ATOM 7 CD1 TRP A 59 0.007 -13.523 -0.475 1.00 0.00 C ATOM 8 CD2 TRP A 59 0.501 -12.470 1.444 1.00 0.00 C ATOM 9 NE1 TRP A 59 0.690 -14.405 0.324 1.00 0.00 N ATOM 10 CE2 TRP A 59 1.009 -13.767 1.503 1.00 0.00 C ATOM 11 CE3 TRP A 59 0.664 -11.594 2.478 1.00 0.00 C ATOM 12 CZ2 TRP A 59 1.692 -14.211 2.598 1.00 0.00 C ATOM 13 CZ3 TRP A 59 1.344 -12.047 3.591 1.00 0.00 C ATOM 14 CH2 TRP A 59 1.847 -13.333 3.649 1.00 0.00 C ATOM 0 HA TRP A 59 -2.212 -10.370 1.030 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.703 -11.062 -1.452 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.179 -10.205 -0.016 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.359 -13.743 -1.467 1.00 0.00 H new ATOM 0 HE1 TRP A 59 0.922 -15.369 0.086 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.277 -10.587 2.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.096 -15.212 2.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.485 -11.384 4.432 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.372 -13.656 4.536 1.00 0.00 H new ATOM 27 N ILE A 60 -4.263 -9.637 -0.441 1.00 0.00 N ATOM 28 CA ILE A 60 -5.251 -9.058 -1.317 1.00 0.00 C ATOM 29 C ILE A 60 -6.184 -8.128 -0.614 1.00 0.00 C ATOM 30 O ILE A 60 -6.255 -6.946 -0.946 1.00 0.00 O ATOM 31 CB ILE A 60 -6.100 -10.000 -2.146 1.00 0.00 C ATOM 32 CG1 ILE A 60 -5.947 -11.489 -1.780 1.00 0.00 C ATOM 33 CG2 ILE A 60 -5.728 -9.698 -3.607 1.00 0.00 C ATOM 34 CD1 ILE A 60 -6.487 -11.792 -0.388 1.00 0.00 C ATOM 0 H ILE A 60 -4.588 -9.773 0.516 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.596 -8.533 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.158 -9.826 -1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.474 -12.099 -2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.895 -11.768 -1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.304 -10.343 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.952 -8.655 -3.831 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.664 -9.881 -3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.359 -12.853 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.943 -11.202 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.546 -11.538 -0.345 1.00 0.00 H new ATOM 46 N ALA A 61 -6.949 -8.654 0.358 1.00 0.00 N ATOM 47 CA ALA A 61 -7.969 -7.907 1.029 1.00 0.00 C ATOM 48 C ALA A 61 -7.349 -7.287 2.228 1.00 0.00 C ATOM 49 O ALA A 61 -7.984 -6.496 2.917 1.00 0.00 O ATOM 50 CB ALA A 61 -9.121 -8.795 1.518 1.00 0.00 C ATOM 0 H ALA A 61 -6.859 -9.616 0.685 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.374 -7.178 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.867 -8.179 2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.579 -9.299 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.736 -9.539 2.215 1.00 0.00 H new ATOM 56 N ARG A 62 -6.077 -7.643 2.494 1.00 0.00 N ATOM 57 CA ARG A 62 -5.324 -7.085 3.575 1.00 0.00 C ATOM 58 C ARG A 62 -4.806 -5.740 3.174 1.00 0.00 C ATOM 59 O ARG A 62 -4.451 -4.933 4.029 1.00 0.00 O ATOM 60 CB ARG A 62 -4.118 -7.946 3.995 1.00 0.00 C ATOM 61 CG ARG A 62 -3.890 -9.213 3.155 1.00 0.00 C ATOM 62 CD ARG A 62 -2.706 -10.048 3.664 1.00 0.00 C ATOM 63 NE ARG A 62 -2.966 -10.411 5.090 1.00 0.00 N ATOM 64 CZ ARG A 62 -2.411 -11.513 5.676 1.00 0.00 C ATOM 65 NH1 ARG A 62 -1.631 -12.372 4.958 1.00 0.00 N ATOM 66 NH2 ARG A 62 -2.642 -11.760 7.000 1.00 0.00 N ATOM 0 H ARG A 62 -5.562 -8.333 1.946 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.006 -7.028 4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.219 -7.331 3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.247 -8.239 5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.794 -9.822 3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.712 -8.931 2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.587 -10.947 3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.778 -9.482 3.579 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.580 -9.815 5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.455 -12.196 3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.224 -13.191 5.410 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.225 -11.124 7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.231 -12.581 7.445 1.00 0.00 H new ATOM 80 N ILE A 63 -4.749 -5.477 1.853 1.00 0.00 N ATOM 81 CA ILE A 63 -4.263 -4.298 1.253 1.00 0.00 C ATOM 82 C ILE A 63 -5.369 -3.319 1.317 1.00 0.00 C ATOM 83 O ILE A 63 -5.152 -2.160 1.649 1.00 0.00 O ATOM 84 CB ILE A 63 -3.994 -4.603 -0.191 1.00 0.00 C ATOM 85 CG1 ILE A 63 -3.108 -5.849 -0.285 1.00 0.00 C ATOM 86 CG2 ILE A 63 -3.322 -3.387 -0.816 1.00 0.00 C ATOM 87 CD1 ILE A 63 -2.803 -6.276 -1.713 1.00 0.00 C ATOM 0 H ILE A 63 -5.073 -6.154 1.162 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.362 -3.925 1.740 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.918 -4.810 -0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.170 -5.657 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.598 -6.673 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.116 -3.585 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.982 -2.523 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.386 -3.181 -0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.171 -7.164 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.735 -6.501 -2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.284 -5.469 -2.231 1.00 0.00 H new ATOM 99 N ASN A 64 -6.591 -3.796 1.000 1.00 0.00 N ATOM 100 CA ASN A 64 -7.782 -2.999 1.047 1.00 0.00 C ATOM 101 C ASN A 64 -8.012 -2.576 2.451 1.00 0.00 C ATOM 102 O ASN A 64 -8.360 -1.429 2.729 1.00 0.00 O ATOM 103 CB ASN A 64 -9.017 -3.815 0.643 1.00 0.00 C ATOM 104 CG ASN A 64 -10.184 -2.857 0.413 1.00 0.00 C ATOM 105 OD1 ASN A 64 -10.120 -1.961 -0.439 1.00 0.00 O ATOM 106 ND2 ASN A 64 -11.276 -3.063 1.210 1.00 0.00 N ATOM 0 H ASN A 64 -6.754 -4.758 0.704 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.647 -2.158 0.366 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.813 -4.386 -0.263 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.267 -4.534 1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.095 -2.461 1.119 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.272 -3.818 1.896 1.00 0.00 H new ATOM 113 N ALA A 65 -7.797 -3.538 3.362 1.00 0.00 N ATOM 114 CA ALA A 65 -8.036 -3.360 4.765 1.00 0.00 C ATOM 115 C ALA A 65 -7.029 -2.430 5.354 1.00 0.00 C ATOM 116 O ALA A 65 -7.302 -1.789 6.368 1.00 0.00 O ATOM 117 CB ALA A 65 -7.955 -4.662 5.573 1.00 0.00 C ATOM 0 H ALA A 65 -7.448 -4.466 3.121 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.050 -2.964 4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.146 -4.450 6.625 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.700 -5.367 5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.961 -5.096 5.465 1.00 0.00 H new ATOM 123 N ALA A 66 -5.834 -2.333 4.740 1.00 0.00 N ATOM 124 CA ALA A 66 -4.825 -1.468 5.271 1.00 0.00 C ATOM 125 C ALA A 66 -5.131 -0.043 4.945 1.00 0.00 C ATOM 126 O ALA A 66 -4.949 0.840 5.783 1.00 0.00 O ATOM 127 CB ALA A 66 -3.449 -1.759 4.670 1.00 0.00 C ATOM 0 H ALA A 66 -5.570 -2.841 3.896 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.814 -1.643 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.713 -1.080 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.166 -2.788 4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.486 -1.616 3.590 1.00 0.00 H new ATOM 133 N VAL A 67 -5.570 0.213 3.696 1.00 0.00 N ATOM 134 CA VAL A 67 -5.515 1.537 3.147 1.00 0.00 C ATOM 135 C VAL A 67 -6.795 2.275 3.369 1.00 0.00 C ATOM 136 O VAL A 67 -6.906 3.439 2.989 1.00 0.00 O ATOM 137 CB VAL A 67 -5.191 1.563 1.670 1.00 0.00 C ATOM 138 CG1 VAL A 67 -3.795 0.956 1.457 1.00 0.00 C ATOM 139 CG2 VAL A 67 -6.271 0.846 0.839 1.00 0.00 C ATOM 0 H VAL A 67 -5.960 -0.491 3.070 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.701 2.029 3.679 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.182 2.595 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.551 0.969 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.057 1.540 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.786 -0.072 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.003 0.885 -0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.343 -0.194 1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.232 1.339 0.988 1.00 0.00 H new ATOM 149 N ARG A 68 -7.790 1.621 4.006 1.00 0.00 N ATOM 150 CA ARG A 68 -9.100 2.189 4.180 1.00 0.00 C ATOM 151 C ARG A 68 -9.094 3.221 5.264 1.00 0.00 C ATOM 152 O ARG A 68 -10.061 3.967 5.418 1.00 0.00 O ATOM 153 CB ARG A 68 -10.156 1.124 4.521 1.00 0.00 C ATOM 154 CG ARG A 68 -9.935 0.434 5.871 1.00 0.00 C ATOM 155 CD ARG A 68 -10.769 -0.838 6.001 1.00 0.00 C ATOM 156 NE ARG A 68 -10.405 -1.494 7.290 1.00 0.00 N ATOM 157 CZ ARG A 68 -10.718 -2.801 7.529 1.00 0.00 C ATOM 158 NH1 ARG A 68 -11.443 -3.516 6.620 1.00 0.00 N ATOM 159 NH2 ARG A 68 -10.295 -3.400 8.679 1.00 0.00 N ATOM 0 H ARG A 68 -7.686 0.688 4.405 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.363 2.648 3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.141 1.591 4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.161 0.368 3.735 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.879 0.189 5.986 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.192 1.121 6.677 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.833 -0.601 5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.576 -1.508 5.164 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.914 -0.957 8.005 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.755 -3.074 5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.673 -4.492 6.806 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.747 -2.871 9.357 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.527 -4.376 8.861 1.00 0.00 H new ATOM 173 N ALA A 69 -7.982 3.296 6.024 1.00 0.00 N ATOM 174 CA ALA A 69 -7.795 4.288 7.039 1.00 0.00 C ATOM 175 C ALA A 69 -7.659 5.627 6.386 1.00 0.00 C ATOM 176 O ALA A 69 -8.158 6.625 6.903 1.00 0.00 O ATOM 177 CB ALA A 69 -6.503 4.054 7.836 1.00 0.00 C ATOM 0 H ALA A 69 -7.196 2.652 5.930 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.653 4.235 7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.399 4.828 8.596 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.544 3.077 8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.648 4.090 7.161 1.00 0.00 H new ATOM 183 N TYR A 70 -6.971 5.666 5.226 1.00 0.00 N ATOM 184 CA TYR A 70 -6.652 6.901 4.574 1.00 0.00 C ATOM 185 C TYR A 70 -7.858 7.384 3.844 1.00 0.00 C ATOM 186 O TYR A 70 -8.201 8.562 3.927 1.00 0.00 O ATOM 187 CB TYR A 70 -5.512 6.744 3.550 1.00 0.00 C ATOM 188 CG TYR A 70 -4.365 6.059 4.218 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.798 6.574 5.372 1.00 0.00 C ATOM 190 CD2 TYR A 70 -3.866 4.881 3.693 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.781 5.897 6.013 1.00 0.00 C ATOM 192 CE2 TYR A 70 -2.844 4.205 4.329 1.00 0.00 C ATOM 193 CZ TYR A 70 -2.311 4.708 5.497 1.00 0.00 C ATOM 194 OH TYR A 70 -1.283 4.015 6.170 1.00 0.00 O ATOM 0 H TYR A 70 -6.634 4.836 4.738 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.331 7.604 5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.851 6.164 2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.204 7.720 3.174 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.154 7.512 5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.280 4.486 2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.353 6.299 6.919 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.463 3.284 3.913 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.602 3.125 6.427 1.00 0.00 H new ATOM 204 N GLY A 71 -8.528 6.469 3.116 1.00 0.00 N ATOM 205 CA GLY A 71 -9.664 6.823 2.315 1.00 0.00 C ATOM 206 C GLY A 71 -9.454 6.193 0.983 1.00 0.00 C ATOM 207 O GLY A 71 -10.338 6.212 0.128 1.00 0.00 O ATOM 0 H GLY A 71 -8.282 5.480 3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.587 6.466 2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.752 7.906 2.223 1.00 0.00 H new ATOM 211 N LEU A 72 -8.259 5.604 0.796 1.00 0.00 N ATOM 212 CA LEU A 72 -7.948 4.847 -0.379 1.00 0.00 C ATOM 213 C LEU A 72 -8.663 3.571 -0.220 1.00 0.00 C ATOM 214 O LEU A 72 -8.901 3.112 0.894 1.00 0.00 O ATOM 215 CB LEU A 72 -6.447 4.563 -0.504 1.00 0.00 C ATOM 216 CG LEU A 72 -5.605 5.842 -0.681 1.00 0.00 C ATOM 217 CD1 LEU A 72 -4.103 5.536 -0.571 1.00 0.00 C ATOM 218 CD2 LEU A 72 -5.931 6.538 -2.008 1.00 0.00 C ATOM 0 H LEU A 72 -7.496 5.654 1.471 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.239 5.399 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.108 4.032 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.277 3.902 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.865 6.526 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.534 6.457 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.889 5.111 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.819 4.823 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.323 7.437 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.716 5.862 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.986 6.810 -2.026 1.00 0.00 H new ATOM 230 N ASN A 73 -9.098 3.029 -1.362 1.00 0.00 N ATOM 231 CA ASN A 73 -9.911 1.861 -1.361 1.00 0.00 C ATOM 232 C ASN A 73 -9.318 0.839 -2.262 1.00 0.00 C ATOM 233 O ASN A 73 -10.052 0.137 -2.958 1.00 0.00 O ATOM 234 CB ASN A 73 -11.396 2.134 -1.701 1.00 0.00 C ATOM 235 CG ASN A 73 -11.578 2.776 -3.082 1.00 0.00 C ATOM 236 OD1 ASN A 73 -11.090 3.876 -3.371 1.00 0.00 O ATOM 237 ND2 ASN A 73 -12.348 2.052 -3.952 1.00 0.00 N ATOM 0 H ASN A 73 -8.887 3.399 -2.289 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.924 1.479 -0.340 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.951 1.197 -1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.824 2.788 -0.941 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.542 2.415 -4.885 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.728 1.149 -3.667 1.00 0.00 H new ATOM 244 N TYR A 74 -7.966 0.736 -2.241 1.00 0.00 N ATOM 245 CA TYR A 74 -7.189 -0.235 -2.975 1.00 0.00 C ATOM 246 C TYR A 74 -7.032 0.176 -4.414 1.00 0.00 C ATOM 247 O TYR A 74 -6.034 -0.185 -5.026 1.00 0.00 O ATOM 248 CB TYR A 74 -7.658 -1.715 -2.777 1.00 0.00 C ATOM 249 CG TYR A 74 -7.103 -2.727 -3.733 1.00 0.00 C ATOM 250 CD1 TYR A 74 -7.762 -2.966 -4.926 1.00 0.00 C ATOM 251 CD2 TYR A 74 -6.046 -3.553 -3.384 1.00 0.00 C ATOM 252 CE1 TYR A 74 -7.362 -3.986 -5.763 1.00 0.00 C ATOM 253 CE2 TYR A 74 -5.628 -4.560 -4.231 1.00 0.00 C ATOM 254 CZ TYR A 74 -6.288 -4.779 -5.421 1.00 0.00 C ATOM 255 OH TYR A 74 -5.873 -5.820 -6.280 1.00 0.00 O ATOM 0 H TYR A 74 -7.385 1.362 -1.683 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.191 -0.235 -2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.396 -2.023 -1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.745 -1.740 -2.847 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.601 -2.345 -5.205 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.544 -3.407 -2.439 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.891 -4.164 -6.688 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.783 -5.176 -3.961 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.101 -6.280 -5.888 1.00 0.00 H new ATOM 265 N SER A 75 -7.996 0.929 -4.993 1.00 0.00 N ATOM 266 CA SER A 75 -8.014 1.234 -6.400 1.00 0.00 C ATOM 267 C SER A 75 -7.160 2.419 -6.727 1.00 0.00 C ATOM 268 O SER A 75 -6.515 2.459 -7.772 1.00 0.00 O ATOM 269 CB SER A 75 -9.432 1.495 -6.942 1.00 0.00 C ATOM 270 OG SER A 75 -10.055 2.568 -6.252 1.00 0.00 O ATOM 0 H SER A 75 -8.776 1.333 -4.475 1.00 0.00 H new ATOM 0 HA SER A 75 -7.613 0.343 -6.884 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.381 1.724 -8.006 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.036 0.593 -6.839 1.00 0.00 H new ATOM 0 HG SER A 75 -10.953 2.714 -6.616 1.00 0.00 H new ATOM 276 N THR A 76 -7.166 3.436 -5.846 1.00 0.00 N ATOM 277 CA THR A 76 -6.469 4.665 -6.097 1.00 0.00 C ATOM 278 C THR A 76 -5.105 4.499 -5.518 1.00 0.00 C ATOM 279 O THR A 76 -4.127 5.102 -5.970 1.00 0.00 O ATOM 280 CB THR A 76 -7.168 5.824 -5.455 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.835 5.374 -4.285 1.00 0.00 O ATOM 282 CG2 THR A 76 -8.210 6.366 -6.447 1.00 0.00 C ATOM 0 H THR A 76 -7.657 3.408 -4.952 1.00 0.00 H new ATOM 0 HA THR A 76 -6.429 4.874 -7.166 1.00 0.00 H new ATOM 0 HB THR A 76 -6.451 6.601 -5.192 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.293 6.128 -3.859 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.732 7.212 -6.000 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.710 6.690 -7.360 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.928 5.581 -6.685 1.00 0.00 H new ATOM 290 N PHE A 77 -5.034 3.599 -4.521 1.00 0.00 N ATOM 291 CA PHE A 77 -3.805 3.120 -3.977 1.00 0.00 C ATOM 292 C PHE A 77 -3.064 2.481 -5.090 1.00 0.00 C ATOM 293 O PHE A 77 -1.876 2.740 -5.268 1.00 0.00 O ATOM 294 CB PHE A 77 -4.074 2.018 -2.945 1.00 0.00 C ATOM 295 CG PHE A 77 -2.825 1.558 -2.276 1.00 0.00 C ATOM 296 CD1 PHE A 77 -1.947 2.431 -1.657 1.00 0.00 C ATOM 297 CD2 PHE A 77 -2.569 0.202 -2.234 1.00 0.00 C ATOM 298 CE1 PHE A 77 -0.839 1.952 -0.987 1.00 0.00 C ATOM 299 CE2 PHE A 77 -1.462 -0.277 -1.566 1.00 0.00 C ATOM 300 CZ PHE A 77 -0.601 0.594 -0.931 1.00 0.00 C ATOM 0 H PHE A 77 -5.859 3.193 -4.081 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.262 3.943 -3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.772 2.388 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.554 1.172 -3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.130 3.495 -1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.239 -0.487 -2.727 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.159 2.640 -0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.268 -1.339 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.255 0.215 -0.393 1.00 0.00 H new ATOM 310 N ILE A 78 -3.800 1.655 -5.868 1.00 0.00 N ATOM 311 CA ILE A 78 -3.288 0.834 -6.931 1.00 0.00 C ATOM 312 C ILE A 78 -2.504 1.680 -7.893 1.00 0.00 C ATOM 313 O ILE A 78 -1.450 1.265 -8.373 1.00 0.00 O ATOM 314 CB ILE A 78 -4.358 0.024 -7.659 1.00 0.00 C ATOM 315 CG1 ILE A 78 -4.072 -1.460 -7.371 1.00 0.00 C ATOM 316 CG2 ILE A 78 -4.462 0.303 -9.176 1.00 0.00 C ATOM 317 CD1 ILE A 78 -5.141 -2.419 -7.891 1.00 0.00 C ATOM 0 H ILE A 78 -4.808 1.556 -5.747 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.633 0.095 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.335 0.326 -7.281 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.114 -1.726 -7.817 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.971 -1.596 -6.294 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.248 -0.317 -9.607 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.700 1.354 -9.337 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.511 0.069 -9.655 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.861 -3.443 -7.646 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.098 -2.183 -7.426 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.227 -2.316 -8.973 1.00 0.00 H new ATOM 329 N ASN A 79 -3.016 2.899 -8.185 1.00 0.00 N ATOM 330 CA ASN A 79 -2.476 3.687 -9.257 1.00 0.00 C ATOM 331 C ASN A 79 -1.252 4.388 -8.820 1.00 0.00 C ATOM 332 O ASN A 79 -0.254 4.445 -9.533 1.00 0.00 O ATOM 333 CB ASN A 79 -3.452 4.718 -9.875 1.00 0.00 C ATOM 334 CG ASN A 79 -3.645 6.103 -9.229 1.00 0.00 C ATOM 335 OD1 ASN A 79 -2.780 6.983 -9.331 1.00 0.00 O ATOM 336 ND2 ASN A 79 -4.862 6.316 -8.653 1.00 0.00 N ATOM 0 H ASN A 79 -3.793 3.332 -7.685 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.259 2.964 -10.043 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.133 4.885 -10.904 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.433 4.245 -9.919 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.096 7.236 -8.280 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.539 5.555 -8.595 1.00 0.00 H new ATOM 343 N GLY A 80 -1.355 4.955 -7.617 1.00 0.00 N ATOM 344 CA GLY A 80 -0.312 5.767 -7.039 1.00 0.00 C ATOM 345 C GLY A 80 0.896 4.970 -6.647 1.00 0.00 C ATOM 346 O GLY A 80 1.963 5.538 -6.427 1.00 0.00 O ATOM 0 H GLY A 80 -2.176 4.856 -7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.018 6.536 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.703 6.281 -6.161 1.00 0.00 H new ATOM 350 N LEU A 81 0.761 3.636 -6.530 1.00 0.00 N ATOM 351 CA LEU A 81 1.903 2.765 -6.392 1.00 0.00 C ATOM 352 C LEU A 81 2.786 2.804 -7.592 1.00 0.00 C ATOM 353 O LEU A 81 3.996 2.682 -7.458 1.00 0.00 O ATOM 354 CB LEU A 81 1.540 1.289 -6.287 1.00 0.00 C ATOM 355 CG LEU A 81 0.847 0.926 -4.964 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.092 -0.395 -5.088 1.00 0.00 C ATOM 357 CD2 LEU A 81 1.837 0.847 -3.786 1.00 0.00 C ATOM 0 H LEU A 81 -0.138 3.154 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 81 2.380 3.135 -5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.885 1.023 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.445 0.691 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 81 0.140 1.729 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.389 -0.629 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.665 -0.310 -5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.791 -1.191 -5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.298 0.588 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.588 0.085 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.326 1.813 -3.656 1.00 0.00 H new ATOM 369 N LYS A 82 2.201 2.931 -8.800 1.00 0.00 N ATOM 370 CA LYS A 82 2.951 2.913 -10.024 1.00 0.00 C ATOM 371 C LYS A 82 3.618 4.239 -10.171 1.00 0.00 C ATOM 372 O LYS A 82 4.700 4.341 -10.748 1.00 0.00 O ATOM 373 CB LYS A 82 2.052 2.650 -11.251 1.00 0.00 C ATOM 374 CG LYS A 82 2.814 2.501 -12.577 1.00 0.00 C ATOM 375 CD LYS A 82 1.911 2.014 -13.720 1.00 0.00 C ATOM 376 CE LYS A 82 2.630 1.898 -15.068 1.00 0.00 C ATOM 377 NZ LYS A 82 3.719 0.899 -14.999 1.00 0.00 N ATOM 0 H LYS A 82 1.196 3.048 -8.930 1.00 0.00 H new ATOM 0 HA LYS A 82 3.679 2.103 -9.979 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.474 1.743 -11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.339 3.469 -11.346 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.255 3.460 -12.849 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.637 1.799 -12.443 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.497 1.041 -13.454 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.071 2.700 -13.825 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.917 1.613 -15.842 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.038 2.868 -15.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.615 0.217 -15.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.637 1.380 -15.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.672 0.396 -14.090 1.00 0.00 H new ATOM 391 N LYS A 83 2.984 5.286 -9.604 1.00 0.00 N ATOM 392 CA LYS A 83 3.525 6.612 -9.600 1.00 0.00 C ATOM 393 C LYS A 83 4.750 6.647 -8.735 1.00 0.00 C ATOM 394 O LYS A 83 5.681 7.397 -9.020 1.00 0.00 O ATOM 395 CB LYS A 83 2.526 7.651 -9.052 1.00 0.00 C ATOM 396 CG LYS A 83 1.264 7.832 -9.911 1.00 0.00 C ATOM 397 CD LYS A 83 1.527 8.444 -11.292 1.00 0.00 C ATOM 398 CE LYS A 83 0.235 8.686 -12.077 1.00 0.00 C ATOM 399 NZ LYS A 83 0.541 9.294 -13.390 1.00 0.00 N ATOM 0 H LYS A 83 2.079 5.209 -9.140 1.00 0.00 H new ATOM 0 HA LYS A 83 3.758 6.867 -10.634 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.227 7.355 -8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.032 8.612 -8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.784 6.862 -10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.560 8.466 -9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.059 9.388 -11.173 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.177 7.781 -11.863 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.295 7.744 -12.219 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.426 9.341 -11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.343 9.453 -13.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.027 10.202 -13.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.155 8.655 -13.934 1.00 0.00 H new ATOM 413 N ALA A 84 4.783 5.825 -7.663 1.00 0.00 N ATOM 414 CA ALA A 84 5.922 5.750 -6.798 1.00 0.00 C ATOM 415 C ALA A 84 6.998 4.969 -7.483 1.00 0.00 C ATOM 416 O ALA A 84 8.119 5.452 -7.636 1.00 0.00 O ATOM 417 CB ALA A 84 5.592 5.033 -5.482 1.00 0.00 C ATOM 0 H ALA A 84 4.014 5.210 -7.397 1.00 0.00 H new ATOM 0 HA ALA A 84 6.238 6.769 -6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.482 4.997 -4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.802 5.574 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.257 4.018 -5.695 1.00 0.00 H new ATOM 423 N GLY A 85 6.659 3.734 -7.905 1.00 0.00 N ATOM 424 CA GLY A 85 7.577 2.819 -8.523 1.00 0.00 C ATOM 425 C GLY A 85 7.718 1.653 -7.604 1.00 0.00 C ATOM 426 O GLY A 85 8.787 1.055 -7.502 1.00 0.00 O ATOM 0 H GLY A 85 5.715 3.359 -7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.206 2.499 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.542 3.296 -8.691 1.00 0.00 H new ATOM 430 N ILE A 86 6.620 1.334 -6.894 1.00 0.00 N ATOM 431 CA ILE A 86 6.572 0.326 -5.887 1.00 0.00 C ATOM 432 C ILE A 86 5.307 -0.410 -6.237 1.00 0.00 C ATOM 433 O ILE A 86 4.337 -0.370 -5.486 1.00 0.00 O ATOM 434 CB ILE A 86 6.470 0.919 -4.477 1.00 0.00 C ATOM 435 CG1 ILE A 86 7.593 1.956 -4.216 1.00 0.00 C ATOM 436 CG2 ILE A 86 6.528 -0.217 -3.431 1.00 0.00 C ATOM 437 CD1 ILE A 86 7.508 2.632 -2.842 1.00 0.00 C ATOM 0 H ILE A 86 5.725 1.803 -7.031 1.00 0.00 H new ATOM 0 HA ILE A 86 7.468 -0.294 -5.867 1.00 0.00 H new ATOM 0 HB ILE A 86 5.517 1.441 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.560 1.461 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.553 2.722 -4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.455 0.207 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.699 -0.905 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.471 -0.755 -3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.327 3.343 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.557 3.158 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.579 1.876 -2.060 1.00 0.00 H new ATOM 449 N GLU A 87 5.271 -1.087 -7.411 1.00 0.00 N ATOM 450 CA GLU A 87 4.091 -1.805 -7.842 1.00 0.00 C ATOM 451 C GLU A 87 4.151 -3.162 -7.228 1.00 0.00 C ATOM 452 O GLU A 87 4.665 -4.107 -7.827 1.00 0.00 O ATOM 453 CB GLU A 87 4.000 -2.004 -9.363 1.00 0.00 C ATOM 454 CG GLU A 87 3.845 -0.689 -10.127 1.00 0.00 C ATOM 455 CD GLU A 87 3.752 -1.020 -11.608 1.00 0.00 C ATOM 456 OE1 GLU A 87 2.713 -1.599 -12.024 1.00 0.00 O ATOM 457 OE2 GLU A 87 4.722 -0.700 -12.345 1.00 0.00 O ATOM 0 H GLU A 87 6.055 -1.139 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 87 3.226 -1.215 -7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.896 -2.517 -9.711 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.153 -2.652 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.952 -0.159 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.694 -0.033 -9.935 1.00 0.00 H new ATOM 464 N LEU A 88 3.677 -3.246 -5.973 1.00 0.00 N ATOM 465 CA LEU A 88 4.093 -4.297 -5.105 1.00 0.00 C ATOM 466 C LEU A 88 2.883 -4.939 -4.490 1.00 0.00 C ATOM 467 O LEU A 88 2.976 -6.029 -3.929 1.00 0.00 O ATOM 468 CB LEU A 88 5.044 -3.681 -4.063 1.00 0.00 C ATOM 469 CG LEU A 88 5.936 -4.671 -3.289 1.00 0.00 C ATOM 470 CD1 LEU A 88 6.950 -5.396 -4.192 1.00 0.00 C ATOM 471 CD2 LEU A 88 6.650 -3.950 -2.134 1.00 0.00 C ATOM 0 H LEU A 88 3.011 -2.591 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 88 4.626 -5.086 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.688 -2.962 -4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.447 -3.122 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 88 5.281 -5.442 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.549 -6.079 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.417 -5.959 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.602 -4.664 -4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.277 -4.660 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.271 -3.148 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.909 -3.530 -1.454 1.00 0.00 H new ATOM 483 N ASP A 89 1.703 -4.282 -4.606 1.00 0.00 N ATOM 484 CA ASP A 89 0.471 -4.733 -3.991 1.00 0.00 C ATOM 485 C ASP A 89 -0.166 -5.842 -4.693 1.00 0.00 C ATOM 486 O ASP A 89 -1.263 -6.248 -4.313 1.00 0.00 O ATOM 487 CB ASP A 89 -0.669 -3.707 -4.021 1.00 0.00 C ATOM 488 CG ASP A 89 -1.233 -3.496 -5.428 1.00 0.00 C ATOM 489 OD1 ASP A 89 -0.465 -3.156 -6.365 1.00 0.00 O ATOM 490 OD2 ASP A 89 -2.471 -3.689 -5.575 1.00 0.00 O ATOM 0 H ASP A 89 1.599 -3.418 -5.138 1.00 0.00 H new ATOM 0 HA ASP A 89 0.828 -4.971 -2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.469 -4.038 -3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.307 -2.755 -3.632 1.00 0.00 H new ATOM 495 N ARG A 90 0.481 -6.382 -5.735 1.00 0.00 N ATOM 496 CA ARG A 90 -0.240 -7.294 -6.540 1.00 0.00 C ATOM 497 C ARG A 90 -0.087 -8.673 -5.947 1.00 0.00 C ATOM 498 O ARG A 90 -0.224 -9.667 -6.661 1.00 0.00 O ATOM 499 CB ARG A 90 0.260 -7.314 -7.997 1.00 0.00 C ATOM 500 CG ARG A 90 0.325 -5.909 -8.621 1.00 0.00 C ATOM 501 CD ARG A 90 0.729 -5.908 -10.102 1.00 0.00 C ATOM 502 NE ARG A 90 -0.320 -6.618 -10.898 1.00 0.00 N ATOM 503 CZ ARG A 90 -1.442 -5.984 -11.354 1.00 0.00 C ATOM 504 NH1 ARG A 90 -1.656 -4.661 -11.101 1.00 0.00 N ATOM 505 NH2 ARG A 90 -2.365 -6.689 -12.074 1.00 0.00 N ATOM 0 H ARG A 90 1.447 -6.199 -6.006 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.284 -6.980 -6.558 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.250 -7.768 -8.031 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.400 -7.943 -8.595 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.649 -5.431 -8.519 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.037 -5.304 -8.059 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.843 -4.885 -10.459 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.694 -6.400 -10.229 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.194 -7.608 -11.107 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.973 -4.128 -10.563 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.499 -4.205 -11.450 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.213 -7.679 -12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.205 -6.225 -12.419 1.00 0.00 H new ATOM 519 N LYS A 91 0.199 -8.711 -4.620 1.00 0.00 N ATOM 520 CA LYS A 91 0.395 -9.752 -3.689 1.00 0.00 C ATOM 521 C LYS A 91 1.712 -9.363 -3.136 1.00 0.00 C ATOM 522 O LYS A 91 2.664 -9.144 -3.884 1.00 0.00 O ATOM 523 CB LYS A 91 0.343 -11.231 -4.134 1.00 0.00 C ATOM 524 CG LYS A 91 -1.105 -11.715 -4.310 1.00 0.00 C ATOM 525 CD LYS A 91 -1.246 -13.218 -4.566 1.00 0.00 C ATOM 526 CE LYS A 91 -2.718 -13.639 -4.594 1.00 0.00 C ATOM 527 NZ LYS A 91 -2.840 -15.102 -4.763 1.00 0.00 N ATOM 0 H LYS A 91 0.308 -7.820 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.455 -9.804 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.884 -11.349 -5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.848 -11.853 -3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.672 -11.457 -3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.557 -11.174 -5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.774 -13.474 -5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.721 -13.773 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.207 -13.333 -3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.232 -13.130 -5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.846 -15.367 -4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.392 -15.387 -5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.368 -15.583 -3.971 1.00 0.00 H new ATOM 541 N ILE A 92 1.752 -9.253 -1.788 1.00 0.00 N ATOM 542 CA ILE A 92 2.936 -9.206 -0.991 1.00 0.00 C ATOM 543 C ILE A 92 3.491 -7.813 -1.007 1.00 0.00 C ATOM 544 O ILE A 92 4.403 -7.467 -1.753 1.00 0.00 O ATOM 545 CB ILE A 92 3.902 -10.312 -1.337 1.00 0.00 C ATOM 546 CG1 ILE A 92 3.124 -11.653 -1.416 1.00 0.00 C ATOM 547 CG2 ILE A 92 5.099 -10.310 -0.367 1.00 0.00 C ATOM 548 CD1 ILE A 92 3.802 -12.867 -0.783 1.00 0.00 C ATOM 0 H ILE A 92 0.902 -9.194 -1.227 1.00 0.00 H new ATOM 0 HA ILE A 92 2.699 -9.419 0.051 1.00 0.00 H new ATOM 0 HB ILE A 92 4.346 -10.154 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.154 -11.515 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.933 -11.876 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.784 -11.115 -0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.619 -9.354 -0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.742 -10.460 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.164 -13.743 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.759 -13.046 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.968 -12.679 0.278 1.00 0.00 H new ATOM 560 N LEU A 93 2.881 -7.008 -0.120 1.00 0.00 N ATOM 561 CA LEU A 93 3.134 -5.636 0.208 1.00 0.00 C ATOM 562 C LEU A 93 2.079 -5.470 1.209 1.00 0.00 C ATOM 563 O LEU A 93 2.206 -4.792 2.222 1.00 0.00 O ATOM 564 CB LEU A 93 2.731 -4.697 -0.888 1.00 0.00 C ATOM 565 CG LEU A 93 2.129 -3.308 -0.530 1.00 0.00 C ATOM 566 CD1 LEU A 93 2.708 -2.222 -1.448 1.00 0.00 C ATOM 567 CD2 LEU A 93 0.589 -3.225 -0.517 1.00 0.00 C ATOM 0 H LEU A 93 2.109 -7.370 0.440 1.00 0.00 H new ATOM 0 HA LEU A 93 4.178 -5.442 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.611 -4.521 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.003 -5.217 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 93 2.425 -3.141 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.277 -1.256 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.790 -2.182 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.468 -2.456 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.281 -2.213 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.203 -3.478 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.193 -3.926 0.218 1.00 0.00 H new ATOM 579 N ALA A 94 0.983 -6.163 0.885 1.00 0.00 N ATOM 580 CA ALA A 94 -0.031 -6.585 1.785 1.00 0.00 C ATOM 581 C ALA A 94 0.585 -7.195 2.982 1.00 0.00 C ATOM 582 O ALA A 94 0.075 -7.016 4.083 1.00 0.00 O ATOM 583 CB ALA A 94 -0.780 -7.742 1.158 1.00 0.00 C ATOM 0 H ALA A 94 0.793 -6.448 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.655 -5.722 2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.563 -8.079 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.228 -7.419 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.088 -8.562 0.967 1.00 0.00 H new ATOM 589 N ASP A 95 1.696 -7.934 2.766 1.00 0.00 N ATOM 590 CA ASP A 95 2.483 -8.474 3.809 1.00 0.00 C ATOM 591 C ASP A 95 2.894 -7.365 4.690 1.00 0.00 C ATOM 592 O ASP A 95 2.530 -7.346 5.855 1.00 0.00 O ATOM 593 CB ASP A 95 3.696 -9.297 3.308 1.00 0.00 C ATOM 594 CG ASP A 95 4.977 -8.583 2.855 1.00 0.00 C ATOM 595 OD1 ASP A 95 4.949 -7.847 1.839 1.00 0.00 O ATOM 596 OD2 ASP A 95 6.014 -8.786 3.542 1.00 0.00 O ATOM 0 H ASP A 95 2.046 -8.155 1.834 1.00 0.00 H new ATOM 0 HA ASP A 95 1.880 -9.194 4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.974 -9.983 4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.351 -9.905 2.471 1.00 0.00 H new ATOM 601 N MET A 96 3.618 -6.386 4.139 1.00 0.00 N ATOM 602 CA MET A 96 4.206 -5.379 4.977 1.00 0.00 C ATOM 603 C MET A 96 3.153 -4.545 5.654 1.00 0.00 C ATOM 604 O MET A 96 3.389 -4.003 6.726 1.00 0.00 O ATOM 605 CB MET A 96 5.324 -4.541 4.305 1.00 0.00 C ATOM 606 CG MET A 96 5.007 -3.104 3.861 1.00 0.00 C ATOM 607 SD MET A 96 4.706 -2.842 2.095 1.00 0.00 S ATOM 608 CE MET A 96 6.430 -3.030 1.564 1.00 0.00 C ATOM 0 H MET A 96 3.799 -6.283 3.140 1.00 0.00 H new ATOM 0 HA MET A 96 4.741 -5.921 5.757 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.164 -4.494 4.999 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.666 -5.090 3.427 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.128 -2.765 4.409 1.00 0.00 H new ATOM 0 HG3 MET A 96 5.837 -2.465 4.163 1.00 0.00 H new ATOM 0 HE1 MET A 96 6.549 -2.618 0.562 1.00 0.00 H new ATOM 0 HE2 MET A 96 7.084 -2.498 2.255 1.00 0.00 H new ATOM 0 HE3 MET A 96 6.695 -4.087 1.555 1.00 0.00 H new ATOM 618 N ALA A 97 1.942 -4.455 5.074 1.00 0.00 N ATOM 619 CA ALA A 97 0.872 -3.696 5.646 1.00 0.00 C ATOM 620 C ALA A 97 0.444 -4.256 6.965 1.00 0.00 C ATOM 621 O ALA A 97 0.066 -3.501 7.859 1.00 0.00 O ATOM 622 CB ALA A 97 -0.359 -3.657 4.739 1.00 0.00 C ATOM 0 H ALA A 97 1.702 -4.915 4.196 1.00 0.00 H new ATOM 0 HA ALA A 97 1.266 -2.688 5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.144 -3.070 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.094 -3.201 3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.718 -4.672 4.569 1.00 0.00 H new ATOM 628 N VAL A 98 0.511 -5.594 7.118 1.00 0.00 N ATOM 629 CA VAL A 98 0.140 -6.227 8.348 1.00 0.00 C ATOM 630 C VAL A 98 1.355 -6.232 9.225 1.00 0.00 C ATOM 631 O VAL A 98 1.372 -5.590 10.274 1.00 0.00 O ATOM 632 CB VAL A 98 -0.359 -7.655 8.201 1.00 0.00 C ATOM 633 CG1 VAL A 98 -0.946 -8.119 9.548 1.00 0.00 C ATOM 634 CG2 VAL A 98 -1.396 -7.730 7.068 1.00 0.00 C ATOM 0 H VAL A 98 0.822 -6.237 6.389 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.695 -5.663 8.765 1.00 0.00 H new ATOM 0 HB VAL A 98 0.462 -8.321 7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.307 -9.143 9.454 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.173 -8.076 10.316 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.773 -7.467 9.828 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.751 -8.756 6.967 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.237 -7.077 7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.937 -7.411 6.133 1.00 0.00 H new ATOM 644 N ARG A 99 2.390 -6.994 8.814 1.00 0.00 N ATOM 645 CA ARG A 99 3.407 -7.446 9.705 1.00 0.00 C ATOM 646 C ARG A 99 4.524 -6.462 9.928 1.00 0.00 C ATOM 647 O ARG A 99 5.138 -6.493 10.993 1.00 0.00 O ATOM 648 CB ARG A 99 4.009 -8.812 9.302 1.00 0.00 C ATOM 649 CG ARG A 99 4.144 -9.176 7.806 1.00 0.00 C ATOM 650 CD ARG A 99 2.966 -9.931 7.136 1.00 0.00 C ATOM 651 NE ARG A 99 2.698 -11.227 7.832 1.00 0.00 N ATOM 652 CZ ARG A 99 3.180 -12.414 7.353 1.00 0.00 C ATOM 653 NH1 ARG A 99 4.068 -12.447 6.318 1.00 0.00 N ATOM 654 NH2 ARG A 99 2.760 -13.585 7.916 1.00 0.00 N ATOM 0 H ARG A 99 2.518 -7.298 7.849 1.00 0.00 H new ATOM 0 HA ARG A 99 2.872 -7.558 10.648 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.004 -8.873 9.743 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.404 -9.587 9.773 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.309 -8.253 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.041 -9.784 7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.071 -9.310 7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.198 -10.118 6.087 1.00 0.00 H new ATOM 0 HE ARG A 99 2.141 -11.226 8.687 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.383 -11.577 5.888 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.417 -13.341 5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.092 -13.570 8.687 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.114 -14.475 7.566 1.00 0.00 H new ATOM 668 N ASP A 100 4.811 -5.570 8.955 1.00 0.00 N ATOM 669 CA ASP A 100 5.856 -4.579 9.076 1.00 0.00 C ATOM 670 C ASP A 100 5.326 -3.182 8.869 1.00 0.00 C ATOM 671 O ASP A 100 5.490 -2.638 7.782 1.00 0.00 O ATOM 672 CB ASP A 100 6.940 -4.786 8.007 1.00 0.00 C ATOM 673 CG ASP A 100 8.259 -4.125 8.401 1.00 0.00 C ATOM 674 OD1 ASP A 100 8.314 -3.434 9.452 1.00 0.00 O ATOM 675 OD2 ASP A 100 9.247 -4.317 7.640 1.00 0.00 O ATOM 0 H ASP A 100 4.311 -5.533 8.067 1.00 0.00 H new ATOM 0 HA ASP A 100 6.261 -4.695 10.081 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.100 -5.853 7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.597 -4.375 7.057 1.00 0.00 H new ATOM 680 N PRO A 101 4.718 -2.536 9.829 1.00 0.00 N ATOM 681 CA PRO A 101 4.058 -1.275 9.606 1.00 0.00 C ATOM 682 C PRO A 101 5.063 -0.160 9.543 1.00 0.00 C ATOM 683 O PRO A 101 4.659 0.967 9.263 1.00 0.00 O ATOM 684 CB PRO A 101 3.110 -1.092 10.795 1.00 0.00 C ATOM 685 CG PRO A 101 3.545 -2.131 11.835 1.00 0.00 C ATOM 686 CD PRO A 101 4.251 -3.205 11.014 1.00 0.00 C ATOM 0 HA PRO A 101 3.517 -1.260 8.660 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.178 -0.082 11.198 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.073 -1.247 10.497 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.212 -1.695 12.579 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.689 -2.539 12.373 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.080 -3.643 11.570 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.570 -4.018 10.763 1.00 0.00 H new ATOM 694 N GLN A 102 6.357 -0.447 9.789 1.00 0.00 N ATOM 695 CA GLN A 102 7.399 0.528 9.679 1.00 0.00 C ATOM 696 C GLN A 102 7.682 0.702 8.222 1.00 0.00 C ATOM 697 O GLN A 102 7.815 1.826 7.741 1.00 0.00 O ATOM 698 CB GLN A 102 8.708 0.072 10.350 1.00 0.00 C ATOM 699 CG GLN A 102 8.536 -0.264 11.835 1.00 0.00 C ATOM 700 CD GLN A 102 9.903 -0.665 12.392 1.00 0.00 C ATOM 701 OE1 GLN A 102 10.508 0.067 13.183 1.00 0.00 O ATOM 702 NE2 GLN A 102 10.389 -1.866 11.952 1.00 0.00 N ATOM 0 H GLN A 102 6.684 -1.372 10.069 1.00 0.00 H new ATOM 0 HA GLN A 102 7.068 1.443 10.170 1.00 0.00 H new ATOM 0 HB2 GLN A 102 9.091 -0.804 9.827 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.456 0.858 10.246 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.141 0.596 12.377 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.820 -1.076 11.961 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.844 -2.428 11.298 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.296 -2.199 12.278 1.00 0.00 H new ATOM 711 N ALA A 103 7.765 -0.429 7.487 1.00 0.00 N ATOM 712 CA ALA A 103 8.044 -0.415 6.082 1.00 0.00 C ATOM 713 C ALA A 103 6.806 0.010 5.369 1.00 0.00 C ATOM 714 O ALA A 103 6.878 0.729 4.371 1.00 0.00 O ATOM 715 CB ALA A 103 8.431 -1.796 5.544 1.00 0.00 C ATOM 0 H ALA A 103 7.636 -1.363 7.875 1.00 0.00 H new ATOM 0 HA ALA A 103 8.881 0.263 5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.631 -1.727 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.324 -2.150 6.059 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.613 -2.496 5.715 1.00 0.00 H new ATOM 721 N PHE A 104 5.635 -0.426 5.884 1.00 0.00 N ATOM 722 CA PHE A 104 4.384 0.031 5.331 1.00 0.00 C ATOM 723 C PHE A 104 4.266 1.521 5.328 1.00 0.00 C ATOM 724 O PHE A 104 3.784 2.084 4.350 1.00 0.00 O ATOM 725 CB PHE A 104 3.147 -0.472 6.086 1.00 0.00 C ATOM 726 CG PHE A 104 1.915 -0.187 5.290 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.773 -0.680 4.004 1.00 0.00 C ATOM 728 CD2 PHE A 104 0.877 0.533 5.851 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.618 -0.458 3.286 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.293 0.735 5.145 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.423 0.245 3.860 1.00 0.00 C ATOM 0 H PHE A 104 5.551 -1.078 6.664 1.00 0.00 H new ATOM 0 HA PHE A 104 4.405 -0.376 4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.233 -1.543 6.269 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.082 0.014 7.060 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.578 -1.246 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.981 0.940 6.846 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.527 -0.833 2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.109 1.278 5.599 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.335 0.411 3.306 1.00 0.00 H new ATOM 741 N GLU A 105 4.706 2.191 6.414 1.00 0.00 N ATOM 742 CA GLU A 105 4.569 3.616 6.530 1.00 0.00 C ATOM 743 C GLU A 105 5.379 4.326 5.484 1.00 0.00 C ATOM 744 O GLU A 105 4.984 5.393 5.023 1.00 0.00 O ATOM 745 CB GLU A 105 5.017 4.134 7.907 1.00 0.00 C ATOM 746 CG GLU A 105 4.455 5.520 8.238 1.00 0.00 C ATOM 747 CD GLU A 105 4.931 5.909 9.629 1.00 0.00 C ATOM 748 OE1 GLU A 105 6.171 6.022 9.821 1.00 0.00 O ATOM 749 OE2 GLU A 105 4.059 6.099 10.520 1.00 0.00 O ATOM 0 H GLU A 105 5.157 1.745 7.213 1.00 0.00 H new ATOM 0 HA GLU A 105 3.508 3.825 6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.702 3.428 8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.106 4.173 7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.791 6.251 7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.366 5.507 8.199 1.00 0.00 H new ATOM 756 N GLN A 106 6.524 3.742 5.074 1.00 0.00 N ATOM 757 CA GLN A 106 7.382 4.325 4.080 1.00 0.00 C ATOM 758 C GLN A 106 6.788 4.234 2.712 1.00 0.00 C ATOM 759 O GLN A 106 6.946 5.151 1.909 1.00 0.00 O ATOM 760 CB GLN A 106 8.725 3.589 3.953 1.00 0.00 C ATOM 761 CG GLN A 106 9.664 3.788 5.147 1.00 0.00 C ATOM 762 CD GLN A 106 9.962 5.279 5.314 1.00 0.00 C ATOM 763 OE1 GLN A 106 10.506 5.930 4.414 1.00 0.00 O ATOM 764 NE2 GLN A 106 9.582 5.818 6.513 1.00 0.00 N ATOM 0 H GLN A 106 6.860 2.851 5.438 1.00 0.00 H new ATOM 0 HA GLN A 106 7.514 5.354 4.413 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.533 2.523 3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.229 3.929 3.048 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.206 3.393 6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.591 3.236 4.991 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.137 5.231 7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.744 6.807 6.702 1.00 0.00 H new ATOM 773 N VAL A 107 6.110 3.109 2.417 1.00 0.00 N ATOM 774 CA VAL A 107 5.521 2.890 1.117 1.00 0.00 C ATOM 775 C VAL A 107 4.408 3.870 0.952 1.00 0.00 C ATOM 776 O VAL A 107 4.256 4.472 -0.107 1.00 0.00 O ATOM 777 CB VAL A 107 4.984 1.485 0.919 1.00 0.00 C ATOM 778 CG1 VAL A 107 4.128 1.391 -0.362 1.00 0.00 C ATOM 779 CG2 VAL A 107 6.187 0.535 0.824 1.00 0.00 C ATOM 0 H VAL A 107 5.966 2.344 3.077 1.00 0.00 H new ATOM 0 HA VAL A 107 6.304 3.023 0.371 1.00 0.00 H new ATOM 0 HB VAL A 107 4.342 1.213 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.757 0.373 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.285 2.078 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.737 1.656 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.834 -0.486 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.813 0.824 -0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.769 0.592 1.744 1.00 0.00 H new ATOM 789 N VAL A 108 3.625 4.064 2.026 1.00 0.00 N ATOM 790 CA VAL A 108 2.499 4.947 2.063 1.00 0.00 C ATOM 791 C VAL A 108 2.961 6.359 1.889 1.00 0.00 C ATOM 792 O VAL A 108 2.283 7.158 1.249 1.00 0.00 O ATOM 793 CB VAL A 108 1.792 4.783 3.388 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.888 5.979 3.722 1.00 0.00 C ATOM 795 CG2 VAL A 108 0.996 3.473 3.302 1.00 0.00 C ATOM 0 H VAL A 108 3.783 3.583 2.912 1.00 0.00 H new ATOM 0 HA VAL A 108 1.809 4.707 1.255 1.00 0.00 H new ATOM 0 HB VAL A 108 2.518 4.744 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.403 5.811 4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.489 6.887 3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.129 6.089 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.465 3.308 4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.278 3.536 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.679 2.643 3.121 1.00 0.00 H new ATOM 805 N ASN A 109 4.135 6.692 2.453 1.00 0.00 N ATOM 806 CA ASN A 109 4.661 8.029 2.432 1.00 0.00 C ATOM 807 C ASN A 109 5.141 8.381 1.054 1.00 0.00 C ATOM 808 O ASN A 109 5.091 9.540 0.649 1.00 0.00 O ATOM 809 CB ASN A 109 5.850 8.184 3.402 1.00 0.00 C ATOM 810 CG ASN A 109 6.285 9.647 3.483 1.00 0.00 C ATOM 811 OD1 ASN A 109 7.315 10.041 2.923 1.00 0.00 O ATOM 812 ND2 ASN A 109 5.470 10.459 4.223 1.00 0.00 N ATOM 0 H ASN A 109 4.734 6.022 2.935 1.00 0.00 H new ATOM 0 HA ASN A 109 3.853 8.693 2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.568 7.826 4.392 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.684 7.568 3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.700 11.446 4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.632 10.077 4.662 1.00 0.00 H new ATOM 819 N LYS A 110 5.619 7.383 0.288 1.00 0.00 N ATOM 820 CA LYS A 110 6.086 7.627 -1.046 1.00 0.00 C ATOM 821 C LYS A 110 4.899 7.811 -1.946 1.00 0.00 C ATOM 822 O LYS A 110 4.945 8.593 -2.890 1.00 0.00 O ATOM 823 CB LYS A 110 6.938 6.453 -1.576 1.00 0.00 C ATOM 824 CG LYS A 110 7.561 6.665 -2.966 1.00 0.00 C ATOM 825 CD LYS A 110 8.602 7.791 -3.051 1.00 0.00 C ATOM 826 CE LYS A 110 9.168 7.973 -4.466 1.00 0.00 C ATOM 827 NZ LYS A 110 9.831 6.735 -4.936 1.00 0.00 N ATOM 0 H LYS A 110 5.683 6.410 0.589 1.00 0.00 H new ATOM 0 HA LYS A 110 6.711 8.520 -1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.739 6.257 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.315 5.559 -1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.030 5.733 -3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.762 6.876 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.147 8.726 -2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.419 7.576 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.364 8.242 -5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.882 8.797 -4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.377 6.939 -5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.471 6.382 -4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.111 6.014 -5.145 1.00 0.00 H new ATOM 841 N VAL A 111 3.802 7.082 -1.666 1.00 0.00 N ATOM 842 CA VAL A 111 2.633 7.032 -2.500 1.00 0.00 C ATOM 843 C VAL A 111 1.717 8.158 -2.182 1.00 0.00 C ATOM 844 O VAL A 111 0.862 8.467 -2.996 1.00 0.00 O ATOM 845 CB VAL A 111 1.949 5.676 -2.345 1.00 0.00 C ATOM 846 CG1 VAL A 111 0.538 5.603 -2.967 1.00 0.00 C ATOM 847 CG2 VAL A 111 2.864 4.627 -2.998 1.00 0.00 C ATOM 0 H VAL A 111 3.723 6.505 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 111 2.925 7.143 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 111 1.801 5.494 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.123 4.607 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.108 6.342 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.600 5.809 -4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.409 3.641 -2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.000 4.869 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.832 4.627 -2.498 1.00 0.00 H new ATOM 857 N LYS A 112 1.859 8.851 -1.042 1.00 0.00 N ATOM 858 CA LYS A 112 0.901 9.881 -0.761 1.00 0.00 C ATOM 859 C LYS A 112 1.229 11.098 -1.549 1.00 0.00 C ATOM 860 O LYS A 112 0.346 11.864 -1.920 1.00 0.00 O ATOM 861 CB LYS A 112 0.779 10.207 0.744 1.00 0.00 C ATOM 862 CG LYS A 112 2.009 10.797 1.452 1.00 0.00 C ATOM 863 CD LYS A 112 2.022 12.327 1.548 1.00 0.00 C ATOM 864 CE LYS A 112 3.195 12.875 2.368 1.00 0.00 C ATOM 865 NZ LYS A 112 4.482 12.558 1.713 1.00 0.00 N ATOM 0 H LYS A 112 2.592 8.715 -0.346 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.077 9.504 -1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.047 10.907 0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.501 9.290 1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.065 10.383 2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 112 2.906 10.472 0.924 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.064 12.746 0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.087 12.664 1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.094 13.955 2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.176 12.447 3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.043 11.938 2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.302 12.075 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.007 13.438 1.536 1.00 0.00 H new ATOM 879 N GLU A 113 2.523 11.274 -1.830 1.00 0.00 N ATOM 880 CA GLU A 113 3.000 12.411 -2.557 1.00 0.00 C ATOM 881 C GLU A 113 3.004 12.146 -4.014 1.00 0.00 C ATOM 882 O GLU A 113 2.734 13.020 -4.835 1.00 0.00 O ATOM 883 CB GLU A 113 4.427 12.771 -2.135 1.00 0.00 C ATOM 884 CG GLU A 113 5.520 11.699 -2.242 1.00 0.00 C ATOM 885 CD GLU A 113 6.769 12.225 -1.548 1.00 0.00 C ATOM 886 OE1 GLU A 113 7.316 13.259 -2.014 1.00 0.00 O ATOM 887 OE2 GLU A 113 7.192 11.597 -0.541 1.00 0.00 O ATOM 0 H GLU A 113 3.255 10.621 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 113 2.326 13.238 -2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 113 4.743 13.626 -2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 113 4.391 13.104 -1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 113 5.189 10.770 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 113 5.732 11.474 -3.287 1.00 0.00 H new ATOM 894 N ALA A 114 3.345 10.900 -4.331 1.00 0.00 N ATOM 895 CA ALA A 114 3.412 10.413 -5.687 1.00 0.00 C ATOM 896 C ALA A 114 2.040 10.282 -6.280 1.00 0.00 C ATOM 897 O ALA A 114 1.857 10.551 -7.467 1.00 0.00 O ATOM 898 CB ALA A 114 4.096 9.047 -5.831 1.00 0.00 C ATOM 0 H ALA A 114 3.585 10.196 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 114 4.011 11.157 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.105 8.753 -6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.120 9.112 -5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.549 8.303 -5.251 1.00 0.00 H new ATOM 904 N LEU A 115 1.037 9.893 -5.460 1.00 0.00 N ATOM 905 CA LEU A 115 -0.343 9.878 -5.876 1.00 0.00 C ATOM 906 C LEU A 115 -0.716 11.304 -5.957 1.00 0.00 C ATOM 907 O LEU A 115 -1.414 11.724 -6.880 1.00 0.00 O ATOM 908 CB LEU A 115 -1.258 9.146 -4.885 1.00 0.00 C ATOM 909 CG LEU A 115 -2.741 9.229 -5.254 1.00 0.00 C ATOM 910 CD1 LEU A 115 -3.094 8.577 -6.600 1.00 0.00 C ATOM 911 CD2 LEU A 115 -3.609 8.629 -4.138 1.00 0.00 C ATOM 0 H LEU A 115 1.183 9.586 -4.499 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.459 9.343 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.962 8.098 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.114 9.567 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.954 10.292 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.163 8.680 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.539 9.068 -7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.831 7.520 -6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.660 8.697 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.340 7.583 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.444 9.180 -3.212 1.00 0.00 H new ATOM 923 N GLN A 116 -0.208 12.055 -4.973 1.00 0.00 N ATOM 924 CA GLN A 116 -0.469 13.458 -4.841 1.00 0.00 C ATOM 925 C GLN A 116 -1.900 13.603 -4.444 1.00 0.00 C ATOM 926 O GLN A 116 -2.674 14.362 -5.025 1.00 0.00 O ATOM 927 CB GLN A 116 -0.109 14.329 -6.065 1.00 0.00 C ATOM 928 CG GLN A 116 0.124 15.801 -5.714 1.00 0.00 C ATOM 929 CD GLN A 116 0.375 16.562 -7.014 1.00 0.00 C ATOM 930 OE1 GLN A 116 1.368 16.328 -7.713 1.00 0.00 O ATOM 931 NE2 GLN A 116 -0.571 17.497 -7.331 1.00 0.00 N ATOM 0 H GLN A 116 0.402 11.682 -4.246 1.00 0.00 H new ATOM 0 HA GLN A 116 0.203 13.851 -4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 116 0.789 13.928 -6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -0.911 14.261 -6.799 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -0.742 16.210 -5.194 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.977 15.902 -5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -1.369 17.645 -6.713 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -0.479 18.047 -8.185 1.00 0.00 H new ATOM 940 N VAL A 117 -2.246 12.865 -3.370 1.00 0.00 N ATOM 941 CA VAL A 117 -3.446 13.071 -2.619 1.00 0.00 C ATOM 942 C VAL A 117 -3.008 14.036 -1.563 1.00 0.00 C ATOM 943 O VAL A 117 -3.820 14.622 -0.848 1.00 0.00 O ATOM 944 CB VAL A 117 -3.999 11.776 -2.041 1.00 0.00 C ATOM 945 CG1 VAL A 117 -2.969 11.082 -1.125 1.00 0.00 C ATOM 946 CG2 VAL A 117 -5.353 12.017 -1.344 1.00 0.00 C ATOM 0 H VAL A 117 -1.671 12.101 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.272 13.447 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 117 -4.188 11.087 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.396 10.161 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.071 10.849 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.711 11.746 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.727 11.076 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.222 12.734 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -6.069 12.411 -2.066 1.00 0.00 H new ATOM 956 N GLN A 118 -1.673 14.250 -1.487 1.00 0.00 N ATOM 957 CA GLN A 118 -1.110 15.212 -0.578 1.00 0.00 C ATOM 958 C GLN A 118 -1.584 16.615 -0.952 1.00 0.00 C ATOM 959 O GLN A 118 -1.958 16.833 -2.137 1.00 0.00 O ATOM 960 CB GLN A 118 0.435 15.185 -0.485 1.00 0.00 C ATOM 961 CG GLN A 118 1.220 15.711 -1.702 1.00 0.00 C ATOM 962 CD GLN A 118 1.381 17.234 -1.667 1.00 0.00 C ATOM 963 OE1 GLN A 118 1.777 17.816 -0.651 1.00 0.00 O ATOM 964 NE2 GLN A 118 1.072 17.881 -2.832 1.00 0.00 N ATOM 965 OXT GLN A 118 -1.571 17.494 -0.048 1.00 0.00 O ATOM 0 H GLN A 118 -0.985 13.756 -2.056 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.469 14.931 0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.732 15.768 0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 118 0.745 14.156 -0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.204 15.243 -1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.705 15.422 -2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.749 17.349 -3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.164 18.895 -2.892 1.00 0.00 H new TER 974 GLN A 118