USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 440 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 61 LYS NZ :NH3+ -170:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 99 GLN : amide:sc= 0.481 K(o=1.7,f=-8.7!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -13:sc= 0.828 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 1.15 (180deg=1.03) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 156:sc= -0.214 (180deg=-0.871) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.064 USER MOD Single : A 87 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.67) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0174 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00187 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.44) USER MOD Single : A 101 GLN : amide:sc= -0.0134 K(o=-0.013,f=-0.97) USER MOD Single : A 102 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.17) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN :FLIP amide:sc= -0.103 F(o=-2.5!,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 49 18.433 1.369 9.358 1.00 0.00 N ATOM 2 CA GLY A 49 18.318 1.444 7.886 1.00 0.00 C ATOM 3 C GLY A 49 17.916 0.114 7.295 1.00 0.00 C ATOM 4 O GLY A 49 18.220 -0.935 7.860 1.00 0.00 O ATOM 0 HA2 GLY A 49 17.582 2.201 7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.271 1.759 7.461 1.00 0.00 H new ATOM 10 N LEU A 50 17.228 0.150 6.163 1.00 0.00 N ATOM 11 CA LEU A 50 16.715 -1.069 5.547 1.00 0.00 C ATOM 12 C LEU A 50 17.556 -1.477 4.343 1.00 0.00 C ATOM 13 O LEU A 50 17.216 -2.418 3.630 1.00 0.00 O ATOM 14 CB LEU A 50 15.244 -0.902 5.119 1.00 0.00 C ATOM 15 CG LEU A 50 14.211 -0.790 6.250 1.00 0.00 C ATOM 16 CD1 LEU A 50 14.396 -1.913 7.261 1.00 0.00 C ATOM 17 CD2 LEU A 50 14.285 0.569 6.932 1.00 0.00 C ATOM 0 H LEU A 50 17.012 1.006 5.652 1.00 0.00 H new ATOM 0 HA LEU A 50 16.775 -1.856 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.168 -0.009 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 50 14.973 -1.751 4.491 1.00 0.00 H new ATOM 0 HG LEU A 50 13.219 -0.887 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.654 -1.815 8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 50 14.270 -2.875 6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 50 15.396 -1.855 7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.542 0.618 7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 50 15.280 0.710 7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 50 14.087 1.354 6.202 1.00 0.00 H new ATOM 29 N GLU A 51 18.666 -0.765 4.143 1.00 0.00 N ATOM 30 CA GLU A 51 19.547 -0.979 2.996 1.00 0.00 C ATOM 31 C GLU A 51 18.781 -0.816 1.688 1.00 0.00 C ATOM 32 O GLU A 51 18.516 -1.793 0.982 1.00 0.00 O ATOM 33 CB GLU A 51 20.224 -2.353 3.058 1.00 0.00 C ATOM 34 CG GLU A 51 21.060 -2.558 4.311 1.00 0.00 C ATOM 35 CD GLU A 51 21.932 -3.792 4.239 1.00 0.00 C ATOM 36 OE1 GLU A 51 21.472 -4.879 4.651 1.00 0.00 O ATOM 37 OE2 GLU A 51 23.086 -3.679 3.770 1.00 0.00 O ATOM 0 H GLU A 51 18.979 -0.025 4.771 1.00 0.00 H new ATOM 0 HA GLU A 51 20.329 -0.221 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.460 -3.129 3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.860 -2.476 2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 51 21.690 -1.683 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.399 -2.636 5.174 1.00 0.00 H new ATOM 44 N TYR A 52 18.432 0.435 1.392 1.00 0.00 N ATOM 45 CA TYR A 52 17.685 0.801 0.188 1.00 0.00 C ATOM 46 C TYR A 52 16.227 0.364 0.284 1.00 0.00 C ATOM 47 O TYR A 52 15.813 -0.243 1.275 1.00 0.00 O ATOM 48 CB TYR A 52 18.342 0.238 -1.077 1.00 0.00 C ATOM 49 CG TYR A 52 19.699 0.838 -1.361 1.00 0.00 C ATOM 50 CD1 TYR A 52 19.817 1.997 -2.115 1.00 0.00 C ATOM 51 CD2 TYR A 52 20.857 0.251 -0.872 1.00 0.00 C ATOM 52 CE1 TYR A 52 21.052 2.557 -2.370 1.00 0.00 C ATOM 53 CE2 TYR A 52 22.097 0.804 -1.124 1.00 0.00 C ATOM 54 CZ TYR A 52 22.189 1.955 -1.876 1.00 0.00 C ATOM 55 OH TYR A 52 23.421 2.512 -2.129 1.00 0.00 O ATOM 0 H TYR A 52 18.662 1.231 1.987 1.00 0.00 H new ATOM 0 HA TYR A 52 17.705 1.888 0.115 1.00 0.00 H new ATOM 0 HB2 TYR A 52 18.444 -0.842 -0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 52 17.687 0.418 -1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 52 18.928 2.468 -2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 52 20.788 -0.653 -0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 52 21.127 3.463 -2.954 1.00 0.00 H new ATOM 0 HE2 TYR A 52 22.989 0.337 -0.734 1.00 0.00 H new ATOM 0 HH TYR A 52 24.119 1.967 -1.710 1.00 0.00 H new ATOM 65 N ALA A 53 15.461 0.716 -0.744 1.00 0.00 N ATOM 66 CA ALA A 53 14.035 0.423 -0.819 1.00 0.00 C ATOM 67 C ALA A 53 13.259 1.212 0.224 1.00 0.00 C ATOM 68 O ALA A 53 12.968 0.726 1.313 1.00 0.00 O ATOM 69 CB ALA A 53 13.757 -1.068 -0.695 1.00 0.00 C ATOM 0 H ALA A 53 15.818 1.218 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 53 13.691 0.736 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.683 -1.244 -0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.258 -1.600 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.130 -1.429 0.263 1.00 0.00 H new ATOM 75 N VAL A 54 12.940 2.446 -0.125 1.00 0.00 N ATOM 76 CA VAL A 54 12.138 3.308 0.732 1.00 0.00 C ATOM 77 C VAL A 54 10.747 3.500 0.130 1.00 0.00 C ATOM 78 O VAL A 54 10.617 3.935 -1.013 1.00 0.00 O ATOM 79 CB VAL A 54 12.806 4.689 0.929 1.00 0.00 C ATOM 80 CG1 VAL A 54 11.951 5.589 1.812 1.00 0.00 C ATOM 81 CG2 VAL A 54 14.200 4.529 1.519 1.00 0.00 C ATOM 0 H VAL A 54 13.226 2.878 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 54 12.056 2.823 1.705 1.00 0.00 H new ATOM 0 HB VAL A 54 12.896 5.163 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.444 6.553 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.977 5.736 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.820 5.122 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.654 5.511 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.131 4.029 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 54 14.814 3.932 0.845 1.00 0.00 H new ATOM 91 N ALA A 55 9.714 3.131 0.883 1.00 0.00 N ATOM 92 CA ALA A 55 8.336 3.320 0.446 1.00 0.00 C ATOM 93 C ALA A 55 8.017 4.800 0.280 1.00 0.00 C ATOM 94 O ALA A 55 8.199 5.591 1.206 1.00 0.00 O ATOM 95 CB ALA A 55 7.386 2.688 1.451 1.00 0.00 C ATOM 0 H ALA A 55 9.807 2.698 1.802 1.00 0.00 H new ATOM 0 HA ALA A 55 8.210 2.835 -0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.358 2.832 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.596 1.621 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.522 3.157 2.425 1.00 0.00 H new ATOM 101 N GLU A 56 7.556 5.171 -0.906 1.00 0.00 N ATOM 102 CA GLU A 56 7.192 6.552 -1.183 1.00 0.00 C ATOM 103 C GLU A 56 5.729 6.793 -0.844 1.00 0.00 C ATOM 104 O GLU A 56 5.406 7.673 -0.050 1.00 0.00 O ATOM 105 CB GLU A 56 7.440 6.893 -2.652 1.00 0.00 C ATOM 106 CG GLU A 56 8.862 6.623 -3.111 1.00 0.00 C ATOM 107 CD GLU A 56 9.113 7.081 -4.531 1.00 0.00 C ATOM 108 OE1 GLU A 56 8.530 6.494 -5.466 1.00 0.00 O ATOM 109 OE2 GLU A 56 9.905 8.029 -4.719 1.00 0.00 O ATOM 0 H GLU A 56 7.425 4.534 -1.692 1.00 0.00 H new ATOM 0 HA GLU A 56 7.815 7.196 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.753 6.316 -3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.209 7.946 -2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.558 7.129 -2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.067 5.555 -3.036 1.00 0.00 H new ATOM 116 N SER A 57 4.849 5.999 -1.444 1.00 0.00 N ATOM 117 CA SER A 57 3.411 6.117 -1.225 1.00 0.00 C ATOM 118 C SER A 57 2.705 4.833 -1.663 1.00 0.00 C ATOM 119 O SER A 57 3.301 3.984 -2.324 1.00 0.00 O ATOM 120 CB SER A 57 2.845 7.307 -2.011 1.00 0.00 C ATOM 121 OG SER A 57 3.423 8.529 -1.586 1.00 0.00 O ATOM 0 H SER A 57 5.111 5.258 -2.094 1.00 0.00 H new ATOM 0 HA SER A 57 3.237 6.279 -0.161 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.033 7.165 -3.075 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.764 7.350 -1.881 1.00 0.00 H new ATOM 0 HG SER A 57 3.900 8.389 -0.742 1.00 0.00 H new ATOM 127 N VAL A 58 1.441 4.691 -1.285 1.00 0.00 N ATOM 128 CA VAL A 58 0.643 3.544 -1.695 1.00 0.00 C ATOM 129 C VAL A 58 -0.291 3.949 -2.828 1.00 0.00 C ATOM 130 O VAL A 58 -0.978 4.964 -2.731 1.00 0.00 O ATOM 131 CB VAL A 58 -0.179 2.984 -0.515 1.00 0.00 C ATOM 132 CG1 VAL A 58 -1.075 1.842 -0.966 1.00 0.00 C ATOM 133 CG2 VAL A 58 0.750 2.528 0.602 1.00 0.00 C ATOM 0 H VAL A 58 0.946 5.358 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 58 1.320 2.762 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.819 3.780 -0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.642 1.467 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.763 2.200 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.462 1.039 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.159 2.135 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.414 1.749 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.343 3.374 0.950 1.00 0.00 H new ATOM 143 N ILE A 59 -0.305 3.172 -3.906 1.00 0.00 N ATOM 144 CA ILE A 59 -1.081 3.544 -5.089 1.00 0.00 C ATOM 145 C ILE A 59 -2.018 2.420 -5.543 1.00 0.00 C ATOM 146 O ILE A 59 -2.696 2.548 -6.562 1.00 0.00 O ATOM 147 CB ILE A 59 -0.176 3.980 -6.284 1.00 0.00 C ATOM 148 CG1 ILE A 59 0.522 2.788 -6.973 1.00 0.00 C ATOM 149 CG2 ILE A 59 0.859 5.000 -5.831 1.00 0.00 C ATOM 150 CD1 ILE A 59 1.353 1.916 -6.060 1.00 0.00 C ATOM 0 H ILE A 59 0.204 2.292 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.683 4.400 -4.783 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.837 4.436 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.238 2.168 -7.449 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.164 3.172 -7.766 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.479 5.290 -6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.353 5.880 -5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.487 4.561 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.801 1.108 -6.638 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.140 2.515 -5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.717 1.496 -5.281 1.00 0.00 H new ATOM 162 N GLY A 60 -2.073 1.334 -4.779 1.00 0.00 N ATOM 163 CA GLY A 60 -2.924 0.218 -5.151 1.00 0.00 C ATOM 164 C GLY A 60 -3.456 -0.530 -3.944 1.00 0.00 C ATOM 165 O GLY A 60 -2.843 -0.494 -2.878 1.00 0.00 O ATOM 0 H GLY A 60 -1.547 1.206 -3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.761 0.585 -5.746 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.362 -0.470 -5.782 1.00 0.00 H new ATOM 169 N LYS A 61 -4.583 -1.222 -4.112 1.00 0.00 N ATOM 170 CA LYS A 61 -5.209 -1.959 -3.014 1.00 0.00 C ATOM 171 C LYS A 61 -5.885 -3.236 -3.523 1.00 0.00 C ATOM 172 O LYS A 61 -6.615 -3.208 -4.510 1.00 0.00 O ATOM 173 CB LYS A 61 -6.240 -1.068 -2.317 1.00 0.00 C ATOM 174 CG LYS A 61 -6.932 -1.716 -1.126 1.00 0.00 C ATOM 175 CD LYS A 61 -7.885 -0.737 -0.463 1.00 0.00 C ATOM 176 CE LYS A 61 -8.530 -1.318 0.786 1.00 0.00 C ATOM 177 NZ LYS A 61 -9.426 -0.334 1.452 1.00 0.00 N ATOM 0 H LYS A 61 -5.082 -1.288 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.432 -2.244 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.746 -0.156 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.996 -0.772 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.480 -2.600 -1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.187 -2.052 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.344 0.172 -0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.662 -0.453 -1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.101 -2.208 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.754 -1.633 1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.713 -0.700 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.921 0.567 1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.270 -0.180 0.865 1.00 0.00 H new ATOM 191 N ARG A 62 -5.612 -4.352 -2.854 1.00 0.00 N ATOM 192 CA ARG A 62 -6.271 -5.619 -3.155 1.00 0.00 C ATOM 193 C ARG A 62 -7.014 -6.128 -1.931 1.00 0.00 C ATOM 194 O ARG A 62 -6.438 -6.235 -0.849 1.00 0.00 O ATOM 195 CB ARG A 62 -5.261 -6.682 -3.604 1.00 0.00 C ATOM 196 CG ARG A 62 -4.779 -6.522 -5.029 1.00 0.00 C ATOM 197 CD ARG A 62 -5.922 -6.678 -6.007 1.00 0.00 C ATOM 198 NE ARG A 62 -5.494 -6.496 -7.390 1.00 0.00 N ATOM 199 CZ ARG A 62 -6.242 -5.909 -8.327 1.00 0.00 C ATOM 200 NH1 ARG A 62 -7.455 -5.457 -8.024 1.00 0.00 N ATOM 201 NH2 ARG A 62 -5.782 -5.778 -9.561 1.00 0.00 N ATOM 0 H ARG A 62 -4.934 -4.404 -2.094 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.974 -5.438 -3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.400 -6.653 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.715 -7.667 -3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.320 -5.541 -5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.009 -7.264 -5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.363 -7.668 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.701 -5.953 -5.771 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.570 -6.837 -7.656 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.815 -5.559 -7.075 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.026 -5.009 -8.741 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.853 -6.126 -9.799 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.356 -5.329 -10.274 1.00 0.00 H new ATOM 215 N VAL A 63 -8.288 -6.439 -2.099 1.00 0.00 N ATOM 216 CA VAL A 63 -9.082 -6.990 -1.017 1.00 0.00 C ATOM 217 C VAL A 63 -9.655 -8.344 -1.430 1.00 0.00 C ATOM 218 O VAL A 63 -10.317 -8.465 -2.463 1.00 0.00 O ATOM 219 CB VAL A 63 -10.215 -6.023 -0.586 1.00 0.00 C ATOM 220 CG1 VAL A 63 -11.091 -5.631 -1.769 1.00 0.00 C ATOM 221 CG2 VAL A 63 -11.051 -6.632 0.530 1.00 0.00 C ATOM 0 H VAL A 63 -8.794 -6.319 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.430 -7.126 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.748 -5.114 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.875 -4.953 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.482 -5.135 -2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.544 -6.525 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.839 -5.936 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.498 -7.564 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.415 -6.834 1.392 1.00 0.00 H new ATOM 231 N GLY A 64 -9.368 -9.370 -0.644 1.00 0.00 N ATOM 232 CA GLY A 64 -9.820 -10.700 -0.988 1.00 0.00 C ATOM 233 C GLY A 64 -11.301 -10.902 -0.738 1.00 0.00 C ATOM 234 O GLY A 64 -11.781 -10.701 0.378 1.00 0.00 O ATOM 0 H GLY A 64 -8.833 -9.306 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.605 -10.891 -2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.256 -11.431 -0.409 1.00 0.00 H new ATOM 238 N ASP A 65 -12.020 -11.309 -1.778 1.00 0.00 N ATOM 239 CA ASP A 65 -13.449 -11.598 -1.675 1.00 0.00 C ATOM 240 C ASP A 65 -13.670 -12.838 -0.824 1.00 0.00 C ATOM 241 O ASP A 65 -14.658 -12.944 -0.098 1.00 0.00 O ATOM 242 CB ASP A 65 -14.063 -11.812 -3.065 1.00 0.00 C ATOM 243 CG ASP A 65 -14.167 -10.535 -3.875 1.00 0.00 C ATOM 244 OD1 ASP A 65 -13.123 -10.026 -4.341 1.00 0.00 O ATOM 245 OD2 ASP A 65 -15.297 -10.038 -4.066 1.00 0.00 O ATOM 0 H ASP A 65 -11.633 -11.448 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.936 -10.744 -1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.460 -12.535 -3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.057 -12.246 -2.953 1.00 0.00 H new ATOM 250 N ASP A 66 -12.725 -13.763 -0.901 1.00 0.00 N ATOM 251 CA ASP A 66 -12.808 -15.019 -0.159 1.00 0.00 C ATOM 252 C ASP A 66 -12.289 -14.844 1.262 1.00 0.00 C ATOM 253 O ASP A 66 -11.910 -15.812 1.922 1.00 0.00 O ATOM 254 CB ASP A 66 -12.005 -16.112 -0.868 1.00 0.00 C ATOM 255 CG ASP A 66 -12.577 -16.472 -2.222 1.00 0.00 C ATOM 256 OD1 ASP A 66 -13.521 -17.289 -2.274 1.00 0.00 O ATOM 257 OD2 ASP A 66 -12.087 -15.938 -3.240 1.00 0.00 O ATOM 0 H ASP A 66 -11.886 -13.669 -1.473 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.856 -15.315 -0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.975 -15.778 -0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.979 -17.003 -0.241 1.00 0.00 H new ATOM 262 N GLY A 67 -12.265 -13.604 1.730 1.00 0.00 N ATOM 263 CA GLY A 67 -11.726 -13.322 3.042 1.00 0.00 C ATOM 264 C GLY A 67 -10.215 -13.270 3.017 1.00 0.00 C ATOM 265 O GLY A 67 -9.558 -13.396 4.050 1.00 0.00 O ATOM 0 H GLY A 67 -12.610 -12.789 1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -12.119 -12.371 3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.054 -14.088 3.744 1.00 0.00 H new ATOM 269 N LYS A 68 -9.669 -13.096 1.821 1.00 0.00 N ATOM 270 CA LYS A 68 -8.229 -13.025 1.630 1.00 0.00 C ATOM 271 C LYS A 68 -7.705 -11.699 2.156 1.00 0.00 C ATOM 272 O LYS A 68 -8.397 -10.679 2.102 1.00 0.00 O ATOM 273 CB LYS A 68 -7.880 -13.187 0.147 1.00 0.00 C ATOM 274 CG LYS A 68 -8.376 -14.492 -0.456 1.00 0.00 C ATOM 275 CD LYS A 68 -7.717 -15.695 0.193 1.00 0.00 C ATOM 276 CE LYS A 68 -8.337 -16.996 -0.288 1.00 0.00 C ATOM 277 NZ LYS A 68 -7.667 -18.182 0.302 1.00 0.00 N ATOM 0 H LYS A 68 -10.209 -13.001 0.961 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.757 -13.836 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.306 -12.353 -0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.798 -13.130 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.457 -14.561 -0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.173 -14.499 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.651 -15.693 -0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.813 -15.624 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.396 -17.011 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.274 -17.047 -1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.120 -19.049 -0.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.662 -18.182 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.749 -18.147 1.338 1.00 0.00 H new ATOM 291 N THR A 69 -6.482 -11.733 2.659 1.00 0.00 N ATOM 292 CA THR A 69 -5.868 -10.584 3.298 1.00 0.00 C ATOM 293 C THR A 69 -5.790 -9.386 2.353 1.00 0.00 C ATOM 294 O THR A 69 -5.471 -9.533 1.170 1.00 0.00 O ATOM 295 CB THR A 69 -4.448 -10.933 3.771 1.00 0.00 C ATOM 296 OG1 THR A 69 -4.477 -12.103 4.604 1.00 0.00 O ATOM 297 CG2 THR A 69 -3.842 -9.768 4.534 1.00 0.00 C ATOM 0 H THR A 69 -5.887 -12.561 2.635 1.00 0.00 H new ATOM 0 HA THR A 69 -6.494 -10.318 4.150 1.00 0.00 H new ATOM 0 HB THR A 69 -3.832 -11.136 2.895 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.567 -12.318 4.898 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.836 -10.032 4.862 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.795 -8.893 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.460 -9.542 5.403 1.00 0.00 H new ATOM 305 N ILE A 70 -6.093 -8.205 2.882 1.00 0.00 N ATOM 306 CA ILE A 70 -5.996 -6.977 2.114 1.00 0.00 C ATOM 307 C ILE A 70 -4.536 -6.574 1.942 1.00 0.00 C ATOM 308 O ILE A 70 -3.818 -6.352 2.921 1.00 0.00 O ATOM 309 CB ILE A 70 -6.769 -5.819 2.782 1.00 0.00 C ATOM 310 CG1 ILE A 70 -8.235 -6.209 2.994 1.00 0.00 C ATOM 311 CG2 ILE A 70 -6.668 -4.558 1.931 1.00 0.00 C ATOM 312 CD1 ILE A 70 -9.059 -5.138 3.674 1.00 0.00 C ATOM 0 H ILE A 70 -6.409 -8.076 3.843 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.444 -7.170 1.139 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.323 -5.616 3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.683 -6.440 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.276 -7.120 3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.217 -3.749 2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.621 -4.273 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.093 -4.749 0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.085 -5.487 3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.637 -4.922 4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.050 -4.232 3.068 1.00 0.00 H new ATOM 324 N GLU A 71 -4.106 -6.492 0.697 1.00 0.00 N ATOM 325 CA GLU A 71 -2.739 -6.126 0.384 1.00 0.00 C ATOM 326 C GLU A 71 -2.701 -4.784 -0.329 1.00 0.00 C ATOM 327 O GLU A 71 -3.677 -4.373 -0.960 1.00 0.00 O ATOM 328 CB GLU A 71 -2.075 -7.216 -0.460 1.00 0.00 C ATOM 329 CG GLU A 71 -1.861 -8.505 0.313 1.00 0.00 C ATOM 330 CD GLU A 71 -1.496 -9.679 -0.574 1.00 0.00 C ATOM 331 OE1 GLU A 71 -2.400 -10.236 -1.231 1.00 0.00 O ATOM 332 OE2 GLU A 71 -0.306 -10.065 -0.602 1.00 0.00 O ATOM 0 H GLU A 71 -4.689 -6.676 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.179 -6.031 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.693 -7.420 -1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.115 -6.852 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.070 -8.353 1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.769 -8.744 0.866 1.00 0.00 H new ATOM 339 N TYR A 72 -1.580 -4.106 -0.213 1.00 0.00 N ATOM 340 CA TYR A 72 -1.421 -2.776 -0.776 1.00 0.00 C ATOM 341 C TYR A 72 -0.228 -2.703 -1.703 1.00 0.00 C ATOM 342 O TYR A 72 0.859 -3.166 -1.370 1.00 0.00 O ATOM 343 CB TYR A 72 -1.246 -1.737 0.328 1.00 0.00 C ATOM 344 CG TYR A 72 -2.541 -1.263 0.924 1.00 0.00 C ATOM 345 CD1 TYR A 72 -3.380 -0.428 0.205 1.00 0.00 C ATOM 346 CD2 TYR A 72 -2.921 -1.643 2.201 1.00 0.00 C ATOM 347 CE1 TYR A 72 -4.570 0.020 0.745 1.00 0.00 C ATOM 348 CE2 TYR A 72 -4.108 -1.201 2.749 1.00 0.00 C ATOM 349 CZ TYR A 72 -4.930 -0.372 2.018 1.00 0.00 C ATOM 350 OH TYR A 72 -6.114 0.065 2.565 1.00 0.00 O ATOM 0 H TYR A 72 -0.754 -4.456 0.272 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.327 -2.564 -1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.626 -2.161 1.118 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.707 -0.880 -0.075 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.100 -0.123 -0.792 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.279 -2.294 2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.214 0.673 0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.391 -1.504 3.746 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.214 -0.305 3.467 1.00 0.00 H new ATOM 360 N LEU A 73 -0.432 -2.104 -2.859 1.00 0.00 N ATOM 361 CA LEU A 73 0.656 -1.867 -3.780 1.00 0.00 C ATOM 362 C LEU A 73 1.434 -0.650 -3.292 1.00 0.00 C ATOM 363 O LEU A 73 0.993 0.494 -3.453 1.00 0.00 O ATOM 364 CB LEU A 73 0.119 -1.649 -5.199 1.00 0.00 C ATOM 365 CG LEU A 73 1.024 -2.136 -6.343 1.00 0.00 C ATOM 366 CD1 LEU A 73 0.468 -1.701 -7.689 1.00 0.00 C ATOM 367 CD2 LEU A 73 2.447 -1.640 -6.174 1.00 0.00 C ATOM 0 H LEU A 73 -1.342 -1.773 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 73 1.317 -2.733 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.844 -2.153 -5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.066 -0.584 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 73 1.043 -3.225 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.123 -2.056 -8.485 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.528 -2.122 -7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.410 -0.613 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.059 -2.003 -7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.454 -0.550 -6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.852 -2.010 -5.232 1.00 0.00 H new ATOM 379 N VAL A 74 2.563 -0.910 -2.660 1.00 0.00 N ATOM 380 CA VAL A 74 3.393 0.145 -2.115 1.00 0.00 C ATOM 381 C VAL A 74 4.460 0.539 -3.120 1.00 0.00 C ATOM 382 O VAL A 74 5.262 -0.291 -3.536 1.00 0.00 O ATOM 383 CB VAL A 74 4.072 -0.286 -0.800 1.00 0.00 C ATOM 384 CG1 VAL A 74 4.919 0.844 -0.240 1.00 0.00 C ATOM 385 CG2 VAL A 74 3.038 -0.735 0.220 1.00 0.00 C ATOM 0 H VAL A 74 2.928 -1.851 -2.511 1.00 0.00 H new ATOM 0 HA VAL A 74 2.744 0.995 -1.904 1.00 0.00 H new ATOM 0 HB VAL A 74 4.726 -1.131 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.390 0.520 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.689 1.114 -0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.287 1.710 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.540 -1.034 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.354 0.087 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.477 -1.580 -0.179 1.00 0.00 H new ATOM 395 N LYS A 75 4.456 1.800 -3.510 1.00 0.00 N ATOM 396 CA LYS A 75 5.406 2.302 -4.485 1.00 0.00 C ATOM 397 C LYS A 75 6.711 2.682 -3.788 1.00 0.00 C ATOM 398 O LYS A 75 6.797 3.719 -3.130 1.00 0.00 O ATOM 399 CB LYS A 75 4.808 3.514 -5.214 1.00 0.00 C ATOM 400 CG LYS A 75 4.930 3.464 -6.730 1.00 0.00 C ATOM 401 CD LYS A 75 6.381 3.476 -7.175 1.00 0.00 C ATOM 402 CE LYS A 75 6.513 3.619 -8.684 1.00 0.00 C ATOM 403 NZ LYS A 75 5.998 2.432 -9.418 1.00 0.00 N ATOM 0 H LYS A 75 3.800 2.500 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 75 5.619 1.525 -5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.754 3.597 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.299 4.418 -4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.441 2.565 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.408 4.316 -7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.903 4.298 -6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.866 2.554 -6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.971 4.507 -9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.561 3.774 -8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.017 2.621 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.596 1.607 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.021 2.237 -9.120 1.00 0.00 H new ATOM 417 N TRP A 76 7.713 1.820 -3.908 1.00 0.00 N ATOM 418 CA TRP A 76 9.022 2.074 -3.318 1.00 0.00 C ATOM 419 C TRP A 76 9.880 2.877 -4.290 1.00 0.00 C ATOM 420 O TRP A 76 9.675 2.807 -5.501 1.00 0.00 O ATOM 421 CB TRP A 76 9.722 0.755 -2.968 1.00 0.00 C ATOM 422 CG TRP A 76 8.931 -0.130 -2.047 1.00 0.00 C ATOM 423 CD1 TRP A 76 7.877 -0.928 -2.382 1.00 0.00 C ATOM 424 CD2 TRP A 76 9.143 -0.320 -0.643 1.00 0.00 C ATOM 425 NE1 TRP A 76 7.403 -1.578 -1.270 1.00 0.00 N ATOM 426 CE2 TRP A 76 8.167 -1.224 -0.189 1.00 0.00 C ATOM 427 CE3 TRP A 76 10.057 0.192 0.274 1.00 0.00 C ATOM 428 CZ2 TRP A 76 8.082 -1.620 1.143 1.00 0.00 C ATOM 429 CZ3 TRP A 76 9.975 -0.203 1.594 1.00 0.00 C ATOM 430 CH2 TRP A 76 8.993 -1.103 2.018 1.00 0.00 C ATOM 0 H TRP A 76 7.644 0.935 -4.411 1.00 0.00 H new ATOM 0 HA TRP A 76 8.885 2.646 -2.401 1.00 0.00 H new ATOM 0 HB2 TRP A 76 9.930 0.210 -3.889 1.00 0.00 H new ATOM 0 HB3 TRP A 76 10.683 0.977 -2.505 1.00 0.00 H new ATOM 0 HD1 TRP A 76 7.474 -1.033 -3.378 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.611 -2.220 -1.251 1.00 0.00 H new ATOM 0 HE3 TRP A 76 10.819 0.888 -0.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 7.321 -2.312 1.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 10.681 0.190 2.311 1.00 0.00 H new ATOM 0 HH2 TRP A 76 8.954 -1.395 3.057 1.00 0.00 H new ATOM 441 N THR A 77 10.832 3.636 -3.766 1.00 0.00 N ATOM 442 CA THR A 77 11.676 4.474 -4.608 1.00 0.00 C ATOM 443 C THR A 77 12.712 3.636 -5.364 1.00 0.00 C ATOM 444 O THR A 77 12.842 3.751 -6.582 1.00 0.00 O ATOM 445 CB THR A 77 12.369 5.598 -3.793 1.00 0.00 C ATOM 446 OG1 THR A 77 13.248 6.357 -4.631 1.00 0.00 O ATOM 447 CG2 THR A 77 13.150 5.044 -2.611 1.00 0.00 C ATOM 0 H THR A 77 11.039 3.689 -2.769 1.00 0.00 H new ATOM 0 HA THR A 77 11.024 4.951 -5.339 1.00 0.00 H new ATOM 0 HB THR A 77 11.581 6.245 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.676 7.063 -4.102 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.619 5.865 -2.068 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.472 4.509 -1.946 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.919 4.361 -2.971 1.00 0.00 H new ATOM 455 N ASP A 78 13.422 2.771 -4.647 1.00 0.00 N ATOM 456 CA ASP A 78 14.415 1.897 -5.266 1.00 0.00 C ATOM 457 C ASP A 78 13.720 0.691 -5.878 1.00 0.00 C ATOM 458 O ASP A 78 14.084 0.207 -6.949 1.00 0.00 O ATOM 459 CB ASP A 78 15.447 1.431 -4.232 1.00 0.00 C ATOM 460 CG ASP A 78 16.032 2.575 -3.426 1.00 0.00 C ATOM 461 OD1 ASP A 78 15.448 2.917 -2.375 1.00 0.00 O ATOM 462 OD2 ASP A 78 17.072 3.133 -3.828 1.00 0.00 O ATOM 0 H ASP A 78 13.329 2.656 -3.638 1.00 0.00 H new ATOM 0 HA ASP A 78 14.934 2.455 -6.045 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.978 0.718 -3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.253 0.903 -4.742 1.00 0.00 H new ATOM 467 N MET A 79 12.697 0.224 -5.181 1.00 0.00 N ATOM 468 CA MET A 79 11.874 -0.889 -5.635 1.00 0.00 C ATOM 469 C MET A 79 10.702 -0.379 -6.466 1.00 0.00 C ATOM 470 O MET A 79 9.571 -0.820 -6.280 1.00 0.00 O ATOM 471 CB MET A 79 11.367 -1.726 -4.459 1.00 0.00 C ATOM 472 CG MET A 79 12.455 -2.507 -3.743 1.00 0.00 C ATOM 473 SD MET A 79 11.804 -3.526 -2.403 1.00 0.00 S ATOM 474 CE MET A 79 10.700 -4.613 -3.308 1.00 0.00 C ATOM 0 H MET A 79 12.411 0.607 -4.280 1.00 0.00 H new ATOM 0 HA MET A 79 12.497 -1.531 -6.258 1.00 0.00 H new ATOM 0 HB2 MET A 79 10.875 -1.068 -3.743 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.612 -2.423 -4.821 1.00 0.00 H new ATOM 0 HG2 MET A 79 12.973 -3.143 -4.460 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.193 -1.812 -3.342 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.555 -5.535 -2.745 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.738 -4.119 -3.449 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.135 -4.846 -4.280 1.00 0.00 H new ATOM 484 N SER A 80 10.978 0.619 -7.312 1.00 0.00 N ATOM 485 CA SER A 80 9.979 1.217 -8.209 1.00 0.00 C ATOM 486 C SER A 80 9.109 0.164 -8.912 1.00 0.00 C ATOM 487 O SER A 80 7.959 0.433 -9.267 1.00 0.00 O ATOM 488 CB SER A 80 10.699 2.090 -9.235 1.00 0.00 C ATOM 489 OG SER A 80 11.893 1.460 -9.674 1.00 0.00 O ATOM 0 H SER A 80 11.904 1.038 -7.395 1.00 0.00 H new ATOM 0 HA SER A 80 9.301 1.821 -7.607 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.044 2.275 -10.087 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.933 3.060 -8.796 1.00 0.00 H new ATOM 0 HG SER A 80 12.341 2.031 -10.332 1.00 0.00 H new ATOM 495 N ASP A 81 9.664 -1.033 -9.078 1.00 0.00 N ATOM 496 CA ASP A 81 8.931 -2.220 -9.534 1.00 0.00 C ATOM 497 C ASP A 81 7.985 -2.709 -8.431 1.00 0.00 C ATOM 498 O ASP A 81 7.891 -3.904 -8.151 1.00 0.00 O ATOM 499 CB ASP A 81 9.910 -3.329 -9.942 1.00 0.00 C ATOM 500 CG ASP A 81 10.969 -3.597 -8.890 1.00 0.00 C ATOM 501 OD1 ASP A 81 11.973 -2.848 -8.848 1.00 0.00 O ATOM 502 OD2 ASP A 81 10.814 -4.558 -8.112 1.00 0.00 O ATOM 0 H ASP A 81 10.652 -1.213 -8.898 1.00 0.00 H new ATOM 0 HA ASP A 81 8.336 -1.954 -10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.353 -4.247 -10.132 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.396 -3.052 -10.877 1.00 0.00 H new ATOM 507 N ALA A 82 7.309 -1.739 -7.819 1.00 0.00 N ATOM 508 CA ALA A 82 6.567 -1.882 -6.568 1.00 0.00 C ATOM 509 C ALA A 82 5.738 -3.161 -6.463 1.00 0.00 C ATOM 510 O ALA A 82 5.207 -3.672 -7.452 1.00 0.00 O ATOM 511 CB ALA A 82 5.665 -0.676 -6.406 1.00 0.00 C ATOM 0 H ALA A 82 7.261 -0.793 -8.197 1.00 0.00 H new ATOM 0 HA ALA A 82 7.307 -1.949 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.102 -0.765 -5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.270 0.230 -6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.972 -0.624 -7.246 1.00 0.00 H new ATOM 517 N THR A 83 5.597 -3.633 -5.230 1.00 0.00 N ATOM 518 CA THR A 83 4.952 -4.904 -4.952 1.00 0.00 C ATOM 519 C THR A 83 3.836 -4.732 -3.926 1.00 0.00 C ATOM 520 O THR A 83 3.766 -3.717 -3.225 1.00 0.00 O ATOM 521 CB THR A 83 5.990 -5.938 -4.443 1.00 0.00 C ATOM 522 OG1 THR A 83 5.375 -7.217 -4.230 1.00 0.00 O ATOM 523 CG2 THR A 83 6.642 -5.466 -3.151 1.00 0.00 C ATOM 0 H THR A 83 5.927 -3.144 -4.398 1.00 0.00 H new ATOM 0 HA THR A 83 4.514 -5.272 -5.880 1.00 0.00 H new ATOM 0 HB THR A 83 6.758 -6.036 -5.210 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.048 -7.854 -3.911 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.365 -6.209 -2.816 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.150 -4.518 -3.325 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.878 -5.333 -2.385 1.00 0.00 H new ATOM 531 N TRP A 84 2.956 -5.720 -3.868 1.00 0.00 N ATOM 532 CA TRP A 84 1.817 -5.694 -2.966 1.00 0.00 C ATOM 533 C TRP A 84 2.206 -6.225 -1.591 1.00 0.00 C ATOM 534 O TRP A 84 2.417 -7.424 -1.409 1.00 0.00 O ATOM 535 CB TRP A 84 0.665 -6.514 -3.550 1.00 0.00 C ATOM 536 CG TRP A 84 0.197 -5.998 -4.874 1.00 0.00 C ATOM 537 CD1 TRP A 84 0.777 -6.212 -6.090 1.00 0.00 C ATOM 538 CD2 TRP A 84 -0.945 -5.174 -5.116 1.00 0.00 C ATOM 539 NE1 TRP A 84 0.066 -5.566 -7.069 1.00 0.00 N ATOM 540 CE2 TRP A 84 -0.998 -4.926 -6.499 1.00 0.00 C ATOM 541 CE3 TRP A 84 -1.928 -4.622 -4.298 1.00 0.00 C ATOM 542 CZ2 TRP A 84 -1.992 -4.148 -7.081 1.00 0.00 C ATOM 543 CZ3 TRP A 84 -2.915 -3.851 -4.875 1.00 0.00 C ATOM 544 CH2 TRP A 84 -2.943 -3.620 -6.256 1.00 0.00 C ATOM 0 H TRP A 84 3.012 -6.560 -4.444 1.00 0.00 H new ATOM 0 HA TRP A 84 1.489 -4.661 -2.851 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.983 -7.551 -3.661 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.169 -6.510 -2.849 1.00 0.00 H new ATOM 0 HD1 TRP A 84 1.665 -6.803 -6.257 1.00 0.00 H new ATOM 0 HE1 TRP A 84 0.295 -5.564 -8.063 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.917 -4.795 -3.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -2.011 -3.968 -8.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -3.681 -3.417 -4.250 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.731 -3.013 -6.676 1.00 0.00 H new ATOM 555 N GLU A 85 2.308 -5.315 -0.639 1.00 0.00 N ATOM 556 CA GLU A 85 2.683 -5.652 0.727 1.00 0.00 C ATOM 557 C GLU A 85 1.449 -5.746 1.621 1.00 0.00 C ATOM 558 O GLU A 85 0.424 -5.125 1.347 1.00 0.00 O ATOM 559 CB GLU A 85 3.644 -4.592 1.274 1.00 0.00 C ATOM 560 CG GLU A 85 5.001 -4.601 0.597 1.00 0.00 C ATOM 561 CD GLU A 85 5.843 -5.795 0.999 1.00 0.00 C ATOM 562 OE1 GLU A 85 5.461 -6.938 0.677 1.00 0.00 O ATOM 563 OE2 GLU A 85 6.887 -5.592 1.649 1.00 0.00 O ATOM 0 H GLU A 85 2.134 -4.321 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 85 3.177 -6.624 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.193 -3.607 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.779 -4.752 2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.864 -4.605 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.534 -3.684 0.847 1.00 0.00 H new ATOM 570 N PRO A 86 1.531 -6.539 2.695 1.00 0.00 N ATOM 571 CA PRO A 86 0.447 -6.669 3.669 1.00 0.00 C ATOM 572 C PRO A 86 0.385 -5.457 4.595 1.00 0.00 C ATOM 573 O PRO A 86 1.413 -4.870 4.930 1.00 0.00 O ATOM 574 CB PRO A 86 0.836 -7.921 4.453 1.00 0.00 C ATOM 575 CG PRO A 86 2.323 -7.963 4.379 1.00 0.00 C ATOM 576 CD PRO A 86 2.694 -7.377 3.042 1.00 0.00 C ATOM 0 HA PRO A 86 -0.536 -6.734 3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.492 -7.865 5.486 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.392 -8.816 4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.770 -7.391 5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.689 -8.986 4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.609 -6.788 3.103 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.864 -8.154 2.297 1.00 0.00 H new ATOM 584 N GLN A 87 -0.840 -5.105 5.001 1.00 0.00 N ATOM 585 CA GLN A 87 -1.114 -3.901 5.798 1.00 0.00 C ATOM 586 C GLN A 87 -0.222 -3.790 7.031 1.00 0.00 C ATOM 587 O GLN A 87 0.048 -2.687 7.504 1.00 0.00 O ATOM 588 CB GLN A 87 -2.578 -3.885 6.245 1.00 0.00 C ATOM 589 CG GLN A 87 -3.580 -3.770 5.109 1.00 0.00 C ATOM 590 CD GLN A 87 -5.015 -3.785 5.603 1.00 0.00 C ATOM 591 OE1 GLN A 87 -5.332 -4.407 6.616 1.00 0.00 O ATOM 592 NE2 GLN A 87 -5.890 -3.084 4.900 1.00 0.00 N ATOM 0 H GLN A 87 -1.675 -5.650 4.785 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.900 -3.049 5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.784 -4.798 6.804 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.727 -3.051 6.930 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.397 -2.847 4.558 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.430 -4.593 4.410 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.588 -2.581 4.065 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.866 -3.046 5.193 1.00 0.00 H new ATOM 601 N ASP A 88 0.207 -4.931 7.556 1.00 0.00 N ATOM 602 CA ASP A 88 1.098 -4.967 8.713 1.00 0.00 C ATOM 603 C ASP A 88 2.424 -4.269 8.405 1.00 0.00 C ATOM 604 O ASP A 88 2.948 -3.513 9.224 1.00 0.00 O ATOM 605 CB ASP A 88 1.360 -6.419 9.119 1.00 0.00 C ATOM 606 CG ASP A 88 2.192 -6.541 10.381 1.00 0.00 C ATOM 607 OD1 ASP A 88 3.435 -6.458 10.298 1.00 0.00 O ATOM 608 OD2 ASP A 88 1.608 -6.738 11.465 1.00 0.00 O ATOM 0 H ASP A 88 -0.049 -5.851 7.197 1.00 0.00 H new ATOM 0 HA ASP A 88 0.615 -4.439 9.535 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.407 -6.926 9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.870 -6.932 8.303 1.00 0.00 H new ATOM 613 N ASN A 89 2.944 -4.518 7.209 1.00 0.00 N ATOM 614 CA ASN A 89 4.232 -3.969 6.790 1.00 0.00 C ATOM 615 C ASN A 89 4.045 -2.627 6.091 1.00 0.00 C ATOM 616 O ASN A 89 4.926 -1.767 6.122 1.00 0.00 O ATOM 617 CB ASN A 89 4.938 -4.954 5.848 1.00 0.00 C ATOM 618 CG ASN A 89 6.281 -4.446 5.350 1.00 0.00 C ATOM 619 OD1 ASN A 89 7.302 -4.584 6.025 1.00 0.00 O ATOM 620 ND2 ASN A 89 6.297 -3.884 4.152 1.00 0.00 N ATOM 0 H ASN A 89 2.491 -5.101 6.506 1.00 0.00 H new ATOM 0 HA ASN A 89 4.846 -3.814 7.677 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.085 -5.901 6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.293 -5.155 4.993 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.176 -3.548 3.758 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.431 -3.787 3.623 1.00 0.00 H new ATOM 627 N VAL A 90 2.892 -2.457 5.459 1.00 0.00 N ATOM 628 CA VAL A 90 2.585 -1.230 4.738 1.00 0.00 C ATOM 629 C VAL A 90 2.514 -0.041 5.694 1.00 0.00 C ATOM 630 O VAL A 90 1.847 -0.102 6.729 1.00 0.00 O ATOM 631 CB VAL A 90 1.256 -1.352 3.958 1.00 0.00 C ATOM 632 CG1 VAL A 90 0.946 -0.070 3.208 1.00 0.00 C ATOM 633 CG2 VAL A 90 1.311 -2.511 2.983 1.00 0.00 C ATOM 0 H VAL A 90 2.151 -3.157 5.431 1.00 0.00 H new ATOM 0 HA VAL A 90 3.391 -1.064 4.023 1.00 0.00 H new ATOM 0 HB VAL A 90 0.463 -1.534 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.006 -0.183 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.861 0.754 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.748 0.141 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.366 -2.579 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.122 -2.351 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.485 -3.438 3.529 1.00 0.00 H new ATOM 643 N ASP A 91 3.226 1.024 5.348 1.00 0.00 N ATOM 644 CA ASP A 91 3.224 2.246 6.143 1.00 0.00 C ATOM 645 C ASP A 91 1.838 2.877 6.146 1.00 0.00 C ATOM 646 O ASP A 91 1.244 3.113 5.090 1.00 0.00 O ATOM 647 CB ASP A 91 4.250 3.237 5.592 1.00 0.00 C ATOM 648 CG ASP A 91 4.319 4.513 6.407 1.00 0.00 C ATOM 649 OD1 ASP A 91 3.450 5.383 6.231 1.00 0.00 O ATOM 650 OD2 ASP A 91 5.253 4.655 7.221 1.00 0.00 O ATOM 0 H ASP A 91 3.816 1.066 4.517 1.00 0.00 H new ATOM 0 HA ASP A 91 3.494 1.992 7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.233 2.766 5.576 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.997 3.482 4.560 1.00 0.00 H new ATOM 655 N SER A 92 1.333 3.152 7.339 1.00 0.00 N ATOM 656 CA SER A 92 -0.027 3.634 7.512 1.00 0.00 C ATOM 657 C SER A 92 -0.163 5.098 7.109 1.00 0.00 C ATOM 658 O SER A 92 -1.207 5.522 6.610 1.00 0.00 O ATOM 659 CB SER A 92 -0.444 3.446 8.967 1.00 0.00 C ATOM 660 OG SER A 92 0.544 3.974 9.839 1.00 0.00 O ATOM 0 H SER A 92 1.853 3.048 8.211 1.00 0.00 H new ATOM 0 HA SER A 92 -0.682 3.056 6.860 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.398 3.943 9.145 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.592 2.386 9.175 1.00 0.00 H new ATOM 0 HG SER A 92 0.261 3.847 10.769 1.00 0.00 H new ATOM 666 N THR A 93 0.899 5.857 7.300 1.00 0.00 N ATOM 667 CA THR A 93 0.884 7.276 6.992 1.00 0.00 C ATOM 668 C THR A 93 0.796 7.462 5.484 1.00 0.00 C ATOM 669 O THR A 93 0.089 8.336 4.983 1.00 0.00 O ATOM 670 CB THR A 93 2.158 7.970 7.512 1.00 0.00 C ATOM 671 OG1 THR A 93 2.501 7.468 8.812 1.00 0.00 O ATOM 672 CG2 THR A 93 1.963 9.477 7.581 1.00 0.00 C ATOM 0 H THR A 93 1.786 5.514 7.668 1.00 0.00 H new ATOM 0 HA THR A 93 0.020 7.725 7.482 1.00 0.00 H new ATOM 0 HB THR A 93 2.969 7.754 6.817 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.313 7.915 9.131 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.875 9.945 7.951 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.736 9.860 6.586 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.138 9.707 8.256 1.00 0.00 H new ATOM 680 N LEU A 94 1.517 6.610 4.773 1.00 0.00 N ATOM 681 CA LEU A 94 1.537 6.635 3.326 1.00 0.00 C ATOM 682 C LEU A 94 0.256 6.047 2.756 1.00 0.00 C ATOM 683 O LEU A 94 -0.324 6.600 1.825 1.00 0.00 O ATOM 684 CB LEU A 94 2.752 5.869 2.812 1.00 0.00 C ATOM 685 CG LEU A 94 4.090 6.371 3.353 1.00 0.00 C ATOM 686 CD1 LEU A 94 5.220 5.477 2.885 1.00 0.00 C ATOM 687 CD2 LEU A 94 4.332 7.815 2.938 1.00 0.00 C ATOM 0 H LEU A 94 2.103 5.884 5.185 1.00 0.00 H new ATOM 0 HA LEU A 94 1.606 7.672 2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.640 4.817 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.769 5.927 1.724 1.00 0.00 H new ATOM 0 HG LEU A 94 4.056 6.336 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.166 5.849 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.052 4.461 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.256 5.477 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.290 8.152 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.345 7.884 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.535 8.445 3.332 1.00 0.00 H new ATOM 699 N VAL A 95 -0.201 4.933 3.324 1.00 0.00 N ATOM 700 CA VAL A 95 -1.417 4.294 2.838 1.00 0.00 C ATOM 701 C VAL A 95 -2.617 5.216 3.052 1.00 0.00 C ATOM 702 O VAL A 95 -3.566 5.217 2.261 1.00 0.00 O ATOM 703 CB VAL A 95 -1.667 2.919 3.509 1.00 0.00 C ATOM 704 CG1 VAL A 95 -2.268 3.049 4.895 1.00 0.00 C ATOM 705 CG2 VAL A 95 -2.551 2.060 2.636 1.00 0.00 C ATOM 0 H VAL A 95 0.246 4.461 4.110 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.285 4.112 1.771 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.695 2.440 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.423 2.057 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.590 3.615 5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.224 3.569 4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.717 1.098 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.508 2.560 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.067 1.902 1.672 1.00 0.00 H new ATOM 715 N LEU A 96 -2.541 6.029 4.103 1.00 0.00 N ATOM 716 CA LEU A 96 -3.571 7.012 4.395 1.00 0.00 C ATOM 717 C LEU A 96 -3.738 7.966 3.218 1.00 0.00 C ATOM 718 O LEU A 96 -4.844 8.406 2.921 1.00 0.00 O ATOM 719 CB LEU A 96 -3.207 7.798 5.658 1.00 0.00 C ATOM 720 CG LEU A 96 -4.252 8.816 6.123 1.00 0.00 C ATOM 721 CD1 LEU A 96 -5.526 8.113 6.567 1.00 0.00 C ATOM 722 CD2 LEU A 96 -3.696 9.677 7.246 1.00 0.00 C ATOM 0 H LEU A 96 -1.769 6.023 4.769 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.514 6.491 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.029 7.090 6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.268 8.322 5.481 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.496 9.465 5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.256 8.854 6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.936 7.543 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.300 7.438 7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.453 10.394 7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.421 9.043 8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.815 10.212 6.892 1.00 0.00 H new ATOM 734 N LEU A 97 -2.637 8.243 2.523 1.00 0.00 N ATOM 735 CA LEU A 97 -2.652 9.172 1.400 1.00 0.00 C ATOM 736 C LEU A 97 -3.497 8.610 0.266 1.00 0.00 C ATOM 737 O LEU A 97 -4.073 9.350 -0.527 1.00 0.00 O ATOM 738 CB LEU A 97 -1.225 9.433 0.908 1.00 0.00 C ATOM 739 CG LEU A 97 -0.229 9.845 1.993 1.00 0.00 C ATOM 740 CD1 LEU A 97 1.147 10.072 1.393 1.00 0.00 C ATOM 741 CD2 LEU A 97 -0.713 11.087 2.719 1.00 0.00 C ATOM 0 H LEU A 97 -1.723 7.836 2.720 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.087 10.114 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.855 8.531 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.256 10.215 0.150 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.155 9.035 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.843 10.365 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.496 9.152 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.092 10.863 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.009 11.364 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.819 11.906 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.677 10.884 3.184 1.00 0.00 H new ATOM 753 N TYR A 98 -3.582 7.290 0.220 1.00 0.00 N ATOM 754 CA TYR A 98 -4.337 6.607 -0.815 1.00 0.00 C ATOM 755 C TYR A 98 -5.797 6.459 -0.399 1.00 0.00 C ATOM 756 O TYR A 98 -6.708 6.665 -1.198 1.00 0.00 O ATOM 757 CB TYR A 98 -3.717 5.234 -1.089 1.00 0.00 C ATOM 758 CG TYR A 98 -4.427 4.444 -2.164 1.00 0.00 C ATOM 759 CD1 TYR A 98 -4.346 4.821 -3.498 1.00 0.00 C ATOM 760 CD2 TYR A 98 -5.178 3.323 -1.842 1.00 0.00 C ATOM 761 CE1 TYR A 98 -4.997 4.101 -4.482 1.00 0.00 C ATOM 762 CE2 TYR A 98 -5.830 2.597 -2.819 1.00 0.00 C ATOM 763 CZ TYR A 98 -5.736 2.989 -4.138 1.00 0.00 C ATOM 764 OH TYR A 98 -6.383 2.269 -5.117 1.00 0.00 O ATOM 0 H TYR A 98 -3.134 6.668 0.893 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.300 7.200 -1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.675 5.368 -1.379 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.719 4.655 -0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.766 5.690 -3.771 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.254 3.013 -0.810 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -4.927 4.408 -5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.411 1.727 -2.552 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.858 1.515 -4.709 1.00 0.00 H new ATOM 774 N GLN A 99 -6.011 6.117 0.866 1.00 0.00 N ATOM 775 CA GLN A 99 -7.358 5.872 1.376 1.00 0.00 C ATOM 776 C GLN A 99 -8.152 7.159 1.524 1.00 0.00 C ATOM 777 O GLN A 99 -9.377 7.140 1.484 1.00 0.00 O ATOM 778 CB GLN A 99 -7.297 5.135 2.711 1.00 0.00 C ATOM 779 CG GLN A 99 -6.763 3.718 2.577 1.00 0.00 C ATOM 780 CD GLN A 99 -7.683 2.826 1.762 1.00 0.00 C ATOM 781 OE1 GLN A 99 -8.564 2.157 2.302 1.00 0.00 O ATOM 782 NE2 GLN A 99 -7.492 2.815 0.452 1.00 0.00 N ATOM 0 H GLN A 99 -5.271 6.003 1.558 1.00 0.00 H new ATOM 0 HA GLN A 99 -7.873 5.248 0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -6.664 5.693 3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.295 5.103 3.149 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.780 3.746 2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -6.630 3.288 3.570 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.752 3.383 0.040 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.085 2.239 -0.145 1.00 0.00 H new ATOM 791 N GLN A 100 -7.458 8.276 1.694 1.00 0.00 N ATOM 792 CA GLN A 100 -8.131 9.565 1.797 1.00 0.00 C ATOM 793 C GLN A 100 -8.722 9.981 0.452 1.00 0.00 C ATOM 794 O GLN A 100 -9.665 10.772 0.395 1.00 0.00 O ATOM 795 CB GLN A 100 -7.175 10.646 2.302 1.00 0.00 C ATOM 796 CG GLN A 100 -6.791 10.488 3.763 1.00 0.00 C ATOM 797 CD GLN A 100 -7.980 10.574 4.696 1.00 0.00 C ATOM 798 OE1 GLN A 100 -8.613 9.566 5.012 1.00 0.00 O ATOM 799 NE2 GLN A 100 -8.286 11.777 5.148 1.00 0.00 N ATOM 0 H GLN A 100 -6.441 8.317 1.763 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.942 9.455 2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.270 10.631 1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.638 11.623 2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.295 9.527 3.902 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.069 11.260 4.030 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.734 12.585 4.860 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.074 11.897 5.785 1.00 0.00 H new ATOM 808 N GLN A 101 -8.155 9.448 -0.625 1.00 0.00 N ATOM 809 CA GLN A 101 -8.636 9.738 -1.971 1.00 0.00 C ATOM 810 C GLN A 101 -9.907 8.948 -2.252 1.00 0.00 C ATOM 811 O GLN A 101 -10.768 9.372 -3.027 1.00 0.00 O ATOM 812 CB GLN A 101 -7.568 9.374 -3.004 1.00 0.00 C ATOM 813 CG GLN A 101 -6.228 10.043 -2.757 1.00 0.00 C ATOM 814 CD GLN A 101 -5.142 9.528 -3.683 1.00 0.00 C ATOM 815 OE1 GLN A 101 -5.174 8.376 -4.117 1.00 0.00 O ATOM 816 NE2 GLN A 101 -4.174 10.375 -3.992 1.00 0.00 N ATOM 0 H GLN A 101 -7.359 8.811 -0.592 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.852 10.804 -2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.430 8.293 -3.005 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.925 9.651 -3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.333 11.120 -2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -5.928 9.877 -1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -4.184 11.321 -3.612 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -3.418 10.082 -4.611 1.00 0.00 H new ATOM 825 N GLN A 102 -10.018 7.801 -1.597 1.00 0.00 N ATOM 826 CA GLN A 102 -11.145 6.904 -1.790 1.00 0.00 C ATOM 827 C GLN A 102 -12.394 7.455 -1.116 1.00 0.00 C ATOM 828 O GLN A 102 -12.313 8.129 -0.089 1.00 0.00 O ATOM 829 CB GLN A 102 -10.822 5.518 -1.227 1.00 0.00 C ATOM 830 CG GLN A 102 -9.658 4.833 -1.923 1.00 0.00 C ATOM 831 CD GLN A 102 -9.870 4.691 -3.417 1.00 0.00 C ATOM 832 OE1 GLN A 102 -9.467 5.548 -4.198 1.00 0.00 O ATOM 833 NE2 GLN A 102 -10.522 3.616 -3.824 1.00 0.00 N ATOM 0 H GLN A 102 -9.332 7.468 -0.920 1.00 0.00 H new ATOM 0 HA GLN A 102 -11.334 6.821 -2.860 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.595 5.611 -0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -11.706 4.886 -1.310 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -8.746 5.402 -1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -9.509 3.846 -1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -10.841 2.926 -3.145 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -10.706 3.477 -4.818 1.00 0.00 H new ATOM 842 N PRO A 103 -13.565 7.198 -1.709 1.00 0.00 N ATOM 843 CA PRO A 103 -14.846 7.610 -1.147 1.00 0.00 C ATOM 844 C PRO A 103 -15.215 6.799 0.086 1.00 0.00 C ATOM 845 O PRO A 103 -15.465 5.595 0.007 1.00 0.00 O ATOM 846 CB PRO A 103 -15.855 7.354 -2.277 1.00 0.00 C ATOM 847 CG PRO A 103 -15.037 7.043 -3.487 1.00 0.00 C ATOM 848 CD PRO A 103 -13.735 6.497 -2.983 1.00 0.00 C ATOM 0 HA PRO A 103 -14.824 8.649 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -16.518 6.525 -2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -16.485 8.227 -2.444 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -15.543 6.317 -4.123 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -14.877 7.937 -4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -13.774 5.416 -2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -12.916 6.703 -3.671 1.00 0.00 H new ATOM 856 N MET A 104 -15.233 7.470 1.225 1.00 0.00 N ATOM 857 CA MET A 104 -15.608 6.843 2.484 1.00 0.00 C ATOM 858 C MET A 104 -17.106 7.015 2.717 1.00 0.00 C ATOM 859 O MET A 104 -17.680 6.470 3.658 1.00 0.00 O ATOM 860 CB MET A 104 -14.807 7.463 3.632 1.00 0.00 C ATOM 861 CG MET A 104 -15.080 6.835 4.990 1.00 0.00 C ATOM 862 SD MET A 104 -14.659 5.083 5.047 1.00 0.00 S ATOM 863 CE MET A 104 -15.278 4.647 6.672 1.00 0.00 C ATOM 0 H MET A 104 -14.990 8.457 1.305 1.00 0.00 H new ATOM 0 HA MET A 104 -15.382 5.777 2.442 1.00 0.00 H new ATOM 0 HB2 MET A 104 -13.744 7.373 3.409 1.00 0.00 H new ATOM 0 HB3 MET A 104 -15.032 8.528 3.684 1.00 0.00 H new ATOM 0 HG2 MET A 104 -14.510 7.366 5.752 1.00 0.00 H new ATOM 0 HG3 MET A 104 -16.134 6.959 5.237 1.00 0.00 H new ATOM 0 HE1 MET A 104 -15.093 3.589 6.860 1.00 0.00 H new ATOM 0 HE2 MET A 104 -14.768 5.245 7.428 1.00 0.00 H new ATOM 0 HE3 MET A 104 -16.350 4.841 6.717 1.00 0.00 H new ATOM 873 N ASN A 105 -17.736 7.784 1.846 1.00 0.00 N ATOM 874 CA ASN A 105 -19.169 8.033 1.940 1.00 0.00 C ATOM 875 C ASN A 105 -19.932 7.025 1.095 1.00 0.00 C ATOM 876 O ASN A 105 -19.664 6.878 -0.098 1.00 0.00 O ATOM 877 CB ASN A 105 -19.511 9.456 1.478 1.00 0.00 C ATOM 878 CG ASN A 105 -19.043 10.539 2.441 1.00 0.00 C ATOM 879 OD1 ASN A 105 -17.946 10.293 3.143 1.00 0.00 O flip ATOM 880 ND2 ASN A 105 -19.666 11.594 2.551 1.00 0.00 N flip ATOM 0 H ASN A 105 -17.278 8.249 1.062 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.462 7.927 2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -19.059 9.630 0.501 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -20.590 9.538 1.349 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -20.507 11.750 1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -19.342 12.313 3.198 1.00 0.00 H new ATOM 887 N GLU A 106 -20.863 6.316 1.718 1.00 0.00 N ATOM 888 CA GLU A 106 -21.672 5.338 1.006 1.00 0.00 C ATOM 889 C GLU A 106 -22.937 5.996 0.479 1.00 0.00 C ATOM 890 O GLU A 106 -23.068 6.126 -0.755 1.00 0.00 O ATOM 891 CB GLU A 106 -22.019 4.151 1.908 1.00 0.00 C ATOM 892 CG GLU A 106 -22.724 3.023 1.169 1.00 0.00 C ATOM 893 CD GLU A 106 -22.919 1.788 2.022 1.00 0.00 C ATOM 894 OE1 GLU A 106 -21.941 1.039 2.217 1.00 0.00 O ATOM 895 OE2 GLU A 106 -24.051 1.548 2.486 1.00 0.00 O ATOM 896 OXT GLU A 106 -23.774 6.421 1.298 1.00 0.00 O ATOM 0 H GLU A 106 -21.076 6.400 2.712 1.00 0.00 H new ATOM 0 HA GLU A 106 -21.093 4.959 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -21.104 3.766 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -22.655 4.496 2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -23.695 3.375 0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -22.146 2.759 0.284 1.00 0.00 H new TER 903 GLU A 106