USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 524 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 Single : A 81 SER OG : rot 180:sc= 0.00701 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.024 K(o=-0.024,f=-1.8!) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.094 F(o=-11!,f=-0.094) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 82:sc= 0.835 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 163:sc= -0.0128 (180deg=-0.297) USER MOD Single : A 117 THR OG1 : rot -148:sc= 0.554 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN :FLIP amide:sc= -0.038 F(o=-1.2!,f=-0.038) USER MOD Single : A 137 ASN : amide:sc= -1.97! C(o=-2!,f=-11!) USER MOD Single : A 138 TYR OH : rot 178:sc= -0.175 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 154:sc= -0.554 (180deg=-1.86) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -20.375 -3.596 0.196 1.00 0.00 N ATOM 2 CA ASP A 80 -19.985 -3.595 -1.242 1.00 0.00 C ATOM 3 C ASP A 80 -18.480 -3.824 -1.361 1.00 0.00 C ATOM 4 O ASP A 80 -17.705 -3.433 -0.485 1.00 0.00 O ATOM 5 CB ASP A 80 -20.359 -2.248 -1.866 1.00 0.00 C ATOM 6 CG ASP A 80 -21.871 -2.150 -2.033 1.00 0.00 C ATOM 7 OD1 ASP A 80 -22.523 -3.179 -1.964 1.00 0.00 O ATOM 8 OD2 ASP A 80 -22.355 -1.048 -2.231 1.00 0.00 O ATOM 0 HA ASP A 80 -20.510 -4.393 -1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.002 -1.434 -1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.870 -2.139 -2.834 1.00 0.00 H new ATOM 15 N SER A 81 -18.063 -4.454 -2.455 1.00 0.00 N ATOM 16 CA SER A 81 -16.643 -4.721 -2.666 1.00 0.00 C ATOM 17 C SER A 81 -15.815 -3.504 -2.263 1.00 0.00 C ATOM 18 O SER A 81 -14.712 -3.630 -1.733 1.00 0.00 O ATOM 19 CB SER A 81 -16.389 -5.047 -4.135 1.00 0.00 C ATOM 20 OG SER A 81 -17.278 -6.076 -4.549 1.00 0.00 O ATOM 0 H SER A 81 -18.677 -4.785 -3.199 1.00 0.00 H new ATOM 0 HA SER A 81 -16.351 -5.572 -2.051 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.535 -4.157 -4.747 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.356 -5.365 -4.275 1.00 0.00 H new ATOM 0 HG SER A 81 -17.118 -6.286 -5.493 1.00 0.00 H new ATOM 26 N GLU A 82 -16.355 -2.323 -2.528 1.00 0.00 N ATOM 27 CA GLU A 82 -15.661 -1.085 -2.197 1.00 0.00 C ATOM 28 C GLU A 82 -15.284 -1.072 -0.716 1.00 0.00 C ATOM 29 O GLU A 82 -14.146 -0.765 -0.357 1.00 0.00 O ATOM 30 CB GLU A 82 -16.576 0.118 -2.533 1.00 0.00 C ATOM 31 CG GLU A 82 -15.856 1.112 -3.452 1.00 0.00 C ATOM 32 CD GLU A 82 -14.669 1.730 -2.721 1.00 0.00 C ATOM 33 OE1 GLU A 82 -14.191 1.117 -1.783 1.00 0.00 O ATOM 34 OE2 GLU A 82 -14.253 2.807 -3.114 1.00 0.00 O ATOM 0 H GLU A 82 -17.266 -2.195 -2.969 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.745 -1.014 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.487 -0.236 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.877 0.619 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.514 0.605 -4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.546 1.894 -3.768 1.00 0.00 H new ATOM 41 N GLU A 83 -16.238 -1.410 0.139 1.00 0.00 N ATOM 42 CA GLU A 83 -15.979 -1.431 1.569 1.00 0.00 C ATOM 43 C GLU A 83 -14.858 -2.419 1.875 1.00 0.00 C ATOM 44 O GLU A 83 -14.009 -2.174 2.732 1.00 0.00 O ATOM 45 CB GLU A 83 -17.276 -1.801 2.326 1.00 0.00 C ATOM 46 CG GLU A 83 -17.404 -3.324 2.492 1.00 0.00 C ATOM 47 CD GLU A 83 -16.547 -3.806 3.660 1.00 0.00 C ATOM 48 OE1 GLU A 83 -16.494 -3.106 4.657 1.00 0.00 O ATOM 49 OE2 GLU A 83 -15.954 -4.865 3.534 1.00 0.00 O ATOM 0 H GLU A 83 -17.187 -1.670 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.660 -0.443 1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.278 -1.324 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.140 -1.417 1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.447 -3.591 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.094 -3.824 1.574 1.00 0.00 H new ATOM 56 N GLU A 84 -14.871 -3.538 1.162 1.00 0.00 N ATOM 57 CA GLU A 84 -13.870 -4.568 1.362 1.00 0.00 C ATOM 58 C GLU A 84 -12.504 -4.041 0.956 1.00 0.00 C ATOM 59 O GLU A 84 -11.511 -4.248 1.651 1.00 0.00 O ATOM 60 CB GLU A 84 -14.269 -5.812 0.543 1.00 0.00 C ATOM 61 CG GLU A 84 -13.058 -6.696 0.244 1.00 0.00 C ATOM 62 CD GLU A 84 -12.436 -7.183 1.548 1.00 0.00 C ATOM 63 OE1 GLU A 84 -13.140 -7.204 2.545 1.00 0.00 O ATOM 64 OE2 GLU A 84 -11.265 -7.522 1.534 1.00 0.00 O ATOM 0 H GLU A 84 -15.563 -3.751 0.443 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.814 -4.849 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.014 -6.387 1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.733 -5.500 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.360 -7.548 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.322 -6.136 -0.333 1.00 0.00 H new ATOM 71 N LEU A 85 -12.458 -3.369 -0.178 1.00 0.00 N ATOM 72 CA LEU A 85 -11.200 -2.824 -0.662 1.00 0.00 C ATOM 73 C LEU A 85 -10.615 -1.878 0.380 1.00 0.00 C ATOM 74 O LEU A 85 -9.422 -1.922 0.674 1.00 0.00 O ATOM 75 CB LEU A 85 -11.434 -2.058 -1.974 1.00 0.00 C ATOM 76 CG LEU A 85 -10.143 -1.389 -2.459 1.00 0.00 C ATOM 77 CD1 LEU A 85 -9.139 -2.441 -2.936 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.468 -0.455 -3.621 1.00 0.00 C ATOM 0 H LEU A 85 -13.264 -3.188 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.503 -3.643 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.802 -2.743 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.205 -1.302 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.707 -0.830 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.229 -1.947 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.900 -3.115 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.572 -3.011 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.553 0.024 -3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.911 -1.028 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.172 0.308 -3.289 1.00 0.00 H new ATOM 90 N LYS A 86 -11.465 -1.023 0.922 1.00 0.00 N ATOM 91 CA LYS A 86 -11.033 -0.058 1.924 1.00 0.00 C ATOM 92 C LYS A 86 -10.544 -0.767 3.181 1.00 0.00 C ATOM 93 O LYS A 86 -9.597 -0.320 3.825 1.00 0.00 O ATOM 94 CB LYS A 86 -12.175 0.898 2.247 1.00 0.00 C ATOM 95 CG LYS A 86 -12.463 1.741 1.001 1.00 0.00 C ATOM 96 CD LYS A 86 -13.498 2.823 1.322 1.00 0.00 C ATOM 97 CE LYS A 86 -14.884 2.199 1.502 1.00 0.00 C ATOM 98 NZ LYS A 86 -15.915 3.274 1.452 1.00 0.00 N ATOM 0 H LYS A 86 -12.456 -0.975 0.687 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.199 0.518 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.064 0.341 2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.907 1.540 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.542 2.203 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.831 1.102 0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.210 3.353 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.525 3.559 0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.070 1.464 0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.938 1.671 2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.859 2.855 1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.739 3.959 2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.867 3.758 0.533 1.00 0.00 H new ATOM 112 N GLU A 87 -11.150 -1.902 3.501 1.00 0.00 N ATOM 113 CA GLU A 87 -10.698 -2.665 4.658 1.00 0.00 C ATOM 114 C GLU A 87 -9.254 -3.088 4.419 1.00 0.00 C ATOM 115 O GLU A 87 -8.397 -2.950 5.292 1.00 0.00 O ATOM 116 CB GLU A 87 -11.583 -3.893 4.880 1.00 0.00 C ATOM 117 CG GLU A 87 -12.914 -3.461 5.496 1.00 0.00 C ATOM 118 CD GLU A 87 -12.700 -2.993 6.931 1.00 0.00 C ATOM 119 OE1 GLU A 87 -11.700 -3.378 7.515 1.00 0.00 O ATOM 120 OE2 GLU A 87 -13.538 -2.257 7.423 1.00 0.00 O ATOM 0 H GLU A 87 -11.935 -2.308 2.992 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.764 -2.046 5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.758 -4.404 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.080 -4.602 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.353 -2.657 4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.619 -4.292 5.478 1.00 0.00 H new ATOM 127 N ALA A 88 -8.994 -3.580 3.210 1.00 0.00 N ATOM 128 CA ALA A 88 -7.651 -3.998 2.831 1.00 0.00 C ATOM 129 C ALA A 88 -6.709 -2.803 2.923 1.00 0.00 C ATOM 130 O ALA A 88 -5.584 -2.908 3.401 1.00 0.00 O ATOM 131 CB ALA A 88 -7.662 -4.538 1.400 1.00 0.00 C ATOM 0 H ALA A 88 -9.695 -3.698 2.479 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.310 -4.784 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.655 -4.849 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.336 -5.392 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.002 -3.758 0.719 1.00 0.00 H new ATOM 137 N PHE A 89 -7.182 -1.662 2.455 1.00 0.00 N ATOM 138 CA PHE A 89 -6.388 -0.448 2.493 1.00 0.00 C ATOM 139 C PHE A 89 -6.019 -0.099 3.934 1.00 0.00 C ATOM 140 O PHE A 89 -4.873 0.242 4.231 1.00 0.00 O ATOM 141 CB PHE A 89 -7.184 0.685 1.871 1.00 0.00 C ATOM 142 CG PHE A 89 -6.395 1.959 1.990 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.262 2.158 1.197 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.792 2.933 2.908 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.521 3.338 1.324 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.055 4.112 3.036 1.00 0.00 C ATOM 147 CZ PHE A 89 -4.918 4.313 2.245 1.00 0.00 C ATOM 0 H PHE A 89 -8.109 -1.551 2.045 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.467 -0.601 1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.393 0.468 0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.146 0.789 2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.959 1.402 0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.669 2.775 3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.645 3.496 0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.362 4.868 3.744 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.346 5.223 2.346 1.00 0.00 H new ATOM 157 N ARG A 90 -7.003 -0.187 4.826 1.00 0.00 N ATOM 158 CA ARG A 90 -6.790 0.112 6.226 1.00 0.00 C ATOM 159 C ARG A 90 -5.783 -0.860 6.837 1.00 0.00 C ATOM 160 O ARG A 90 -5.001 -0.487 7.711 1.00 0.00 O ATOM 161 CB ARG A 90 -8.111 0.032 6.972 1.00 0.00 C ATOM 162 CG ARG A 90 -9.000 1.232 6.621 1.00 0.00 C ATOM 163 CD ARG A 90 -10.190 1.270 7.581 1.00 0.00 C ATOM 164 NE ARG A 90 -10.988 0.059 7.439 1.00 0.00 N ATOM 165 CZ ARG A 90 -12.063 -0.149 8.192 1.00 0.00 C ATOM 166 NH1 ARG A 90 -13.086 0.656 8.104 1.00 0.00 N ATOM 167 NH2 ARG A 90 -12.095 -1.157 9.019 1.00 0.00 N ATOM 0 H ARG A 90 -7.957 -0.465 4.595 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.387 1.121 6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.624 -0.895 6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.928 0.009 8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.429 2.157 6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.349 1.153 5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.836 1.363 8.608 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.805 2.146 7.375 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.717 -0.642 6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.060 1.444 7.457 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.911 0.497 8.682 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.295 -1.786 9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.920 -1.317 9.597 1.00 0.00 H new ATOM 181 N VAL A 91 -5.790 -2.094 6.346 1.00 0.00 N ATOM 182 CA VAL A 91 -4.852 -3.108 6.820 1.00 0.00 C ATOM 183 C VAL A 91 -3.427 -2.695 6.454 1.00 0.00 C ATOM 184 O VAL A 91 -2.506 -2.797 7.261 1.00 0.00 O ATOM 185 CB VAL A 91 -5.178 -4.463 6.167 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.047 -5.464 6.420 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.494 -5.016 6.733 1.00 0.00 C ATOM 0 H VAL A 91 -6.432 -2.417 5.622 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.938 -3.200 7.903 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.283 -4.313 5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.293 -6.417 5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.119 -5.080 5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.922 -5.609 7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.717 -5.975 6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.398 -5.151 7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.302 -4.315 6.526 1.00 0.00 H new ATOM 197 N PHE A 92 -3.274 -2.244 5.212 1.00 0.00 N ATOM 198 CA PHE A 92 -1.977 -1.824 4.688 1.00 0.00 C ATOM 199 C PHE A 92 -1.413 -0.611 5.422 1.00 0.00 C ATOM 200 O PHE A 92 -0.205 -0.514 5.638 1.00 0.00 O ATOM 201 CB PHE A 92 -2.123 -1.465 3.198 1.00 0.00 C ATOM 202 CG PHE A 92 -2.129 -2.717 2.345 1.00 0.00 C ATOM 203 CD1 PHE A 92 -1.006 -3.554 2.330 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.245 -3.034 1.562 1.00 0.00 C ATOM 205 CE1 PHE A 92 -1.005 -4.704 1.537 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.241 -4.181 0.769 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.122 -5.019 0.755 1.00 0.00 C ATOM 0 H PHE A 92 -4.040 -2.160 4.544 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.288 -2.656 4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.047 -0.908 3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.303 -0.815 2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.142 -3.311 2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.111 -2.389 1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.141 -5.351 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.103 -4.422 0.165 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.120 -5.908 0.142 1.00 0.00 H new ATOM 217 N ASP A 93 -2.280 0.334 5.749 1.00 0.00 N ATOM 218 CA ASP A 93 -1.842 1.566 6.399 1.00 0.00 C ATOM 219 C ASP A 93 -1.713 1.406 7.914 1.00 0.00 C ATOM 220 O ASP A 93 -2.657 1.677 8.657 1.00 0.00 O ATOM 221 CB ASP A 93 -2.845 2.678 6.078 1.00 0.00 C ATOM 222 CG ASP A 93 -2.235 4.046 6.364 1.00 0.00 C ATOM 223 OD1 ASP A 93 -1.106 4.086 6.825 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.905 5.035 6.116 1.00 0.00 O ATOM 0 H ASP A 93 -3.284 0.276 5.578 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.853 1.819 6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.142 2.617 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.748 2.544 6.673 1.00 0.00 H new ATOM 229 N LYS A 94 -0.533 0.978 8.364 1.00 0.00 N ATOM 230 CA LYS A 94 -0.293 0.801 9.785 1.00 0.00 C ATOM 231 C LYS A 94 -0.524 2.120 10.507 1.00 0.00 C ATOM 232 O LYS A 94 -1.191 2.170 11.541 1.00 0.00 O ATOM 233 CB LYS A 94 1.149 0.341 10.010 1.00 0.00 C ATOM 234 CG LYS A 94 1.356 0.050 11.492 1.00 0.00 C ATOM 235 CD LYS A 94 2.787 -0.446 11.724 1.00 0.00 C ATOM 236 CE LYS A 94 3.003 -0.756 13.210 1.00 0.00 C ATOM 237 NZ LYS A 94 4.401 -1.238 13.412 1.00 0.00 N ATOM 0 H LYS A 94 0.261 0.751 7.766 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.977 0.048 10.176 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.355 -0.552 9.419 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.845 1.111 9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.173 0.950 12.079 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.641 -0.701 11.829 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.972 -1.339 11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.500 0.310 11.395 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.823 0.136 13.810 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.293 -1.513 13.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.553 -1.450 14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.556 -2.099 12.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.069 -0.501 13.108 1.00 0.00 H new ATOM 251 N ASP A 95 0.043 3.186 9.952 1.00 0.00 N ATOM 252 CA ASP A 95 -0.092 4.514 10.535 1.00 0.00 C ATOM 253 C ASP A 95 -1.533 4.997 10.453 1.00 0.00 C ATOM 254 O ASP A 95 -2.038 5.606 11.395 1.00 0.00 O ATOM 255 CB ASP A 95 0.809 5.493 9.794 1.00 0.00 C ATOM 256 CG ASP A 95 2.243 4.976 9.799 1.00 0.00 C ATOM 257 OD1 ASP A 95 2.634 4.379 10.788 1.00 0.00 O ATOM 258 OD2 ASP A 95 2.925 5.180 8.807 1.00 0.00 O ATOM 0 H ASP A 95 0.601 3.155 9.098 1.00 0.00 H new ATOM 0 HA ASP A 95 0.201 4.460 11.584 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.461 5.618 8.769 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.764 6.474 10.268 1.00 0.00 H new ATOM 263 N GLN A 96 -2.181 4.714 9.317 1.00 0.00 N ATOM 264 CA GLN A 96 -3.575 5.106 9.092 1.00 0.00 C ATOM 265 C GLN A 96 -3.710 6.604 8.832 1.00 0.00 C ATOM 266 O GLN A 96 -4.547 7.264 9.445 1.00 0.00 O ATOM 267 CB GLN A 96 -4.405 4.737 10.316 1.00 0.00 C ATOM 268 CG GLN A 96 -5.885 4.675 9.981 1.00 0.00 C ATOM 269 CD GLN A 96 -6.618 4.296 11.254 1.00 0.00 C ATOM 270 OE1 GLN A 96 -6.062 3.567 12.080 1.00 0.00 O ATOM 271 NE2 GLN A 96 -7.811 4.750 11.478 1.00 0.00 N ATOM 0 H GLN A 96 -1.758 4.212 8.536 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.932 4.576 8.209 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.077 3.772 10.703 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.239 5.470 11.105 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.235 5.637 9.607 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.071 3.941 9.197 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.265 5.352 10.791 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.296 4.505 12.341 1.00 0.00 H new ATOM 280 N ASN A 97 -2.896 7.137 7.919 1.00 0.00 N ATOM 281 CA ASN A 97 -2.953 8.566 7.582 1.00 0.00 C ATOM 282 C ASN A 97 -3.527 8.748 6.180 1.00 0.00 C ATOM 283 O ASN A 97 -3.569 9.857 5.649 1.00 0.00 O ATOM 284 CB ASN A 97 -1.551 9.177 7.641 1.00 0.00 C ATOM 285 CG ASN A 97 -0.622 8.438 6.686 1.00 0.00 C ATOM 286 OD1 ASN A 97 -1.081 7.437 5.984 1.00 0.00 O flip ATOM 287 ND2 ASN A 97 0.555 8.781 6.576 1.00 0.00 N flip ATOM 0 H ASN A 97 -2.194 6.608 7.402 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.595 9.070 8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.594 10.233 7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.162 9.119 8.658 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.912 9.563 7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.174 8.283 5.936 1.00 0.00 H new ATOM 294 N GLY A 98 -3.964 7.640 5.594 1.00 0.00 N ATOM 295 CA GLY A 98 -4.533 7.660 4.249 1.00 0.00 C ATOM 296 C GLY A 98 -3.440 7.474 3.201 1.00 0.00 C ATOM 297 O GLY A 98 -3.586 7.885 2.051 1.00 0.00 O ATOM 0 H GLY A 98 -3.936 6.717 6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.277 6.869 4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.049 8.605 4.080 1.00 0.00 H new ATOM 301 N PHE A 99 -2.347 6.845 3.618 1.00 0.00 N ATOM 302 CA PHE A 99 -1.220 6.585 2.726 1.00 0.00 C ATOM 303 C PHE A 99 -0.523 5.295 3.125 1.00 0.00 C ATOM 304 O PHE A 99 -0.436 4.968 4.308 1.00 0.00 O ATOM 305 CB PHE A 99 -0.203 7.721 2.820 1.00 0.00 C ATOM 306 CG PHE A 99 -0.775 8.981 2.226 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.655 9.771 2.974 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.418 9.365 0.928 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.182 10.944 2.423 1.00 0.00 C ATOM 310 CE2 PHE A 99 -0.945 10.537 0.376 1.00 0.00 C ATOM 311 CZ PHE A 99 -1.829 11.328 1.123 1.00 0.00 C ATOM 0 H PHE A 99 -2.216 6.504 4.570 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.604 6.506 1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.067 7.892 3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.711 7.445 2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.927 9.475 3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.264 8.756 0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.861 11.554 3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.671 10.833 -0.626 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.237 12.232 0.697 1.00 0.00 H new ATOM 321 N ILE A 100 0.028 4.592 2.138 1.00 0.00 N ATOM 322 CA ILE A 100 0.777 3.369 2.405 1.00 0.00 C ATOM 323 C ILE A 100 2.225 3.622 2.042 1.00 0.00 C ATOM 324 O ILE A 100 2.540 4.039 0.927 1.00 0.00 O ATOM 325 CB ILE A 100 0.225 2.193 1.603 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.238 1.974 1.981 1.00 0.00 C ATOM 327 CG2 ILE A 100 1.032 0.935 1.932 1.00 0.00 C ATOM 328 CD1 ILE A 100 -1.894 1.027 0.978 1.00 0.00 C ATOM 0 H ILE A 100 -0.030 4.847 1.152 1.00 0.00 H new ATOM 0 HA ILE A 100 0.687 3.107 3.459 1.00 0.00 H new ATOM 0 HB ILE A 100 0.300 2.404 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.305 1.558 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.766 2.927 1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.641 0.092 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.078 1.095 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.952 0.720 2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.938 0.873 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.841 1.461 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.372 0.070 0.986 1.00 0.00 H new ATOM 340 N SER A 101 3.099 3.389 3.003 1.00 0.00 N ATOM 341 CA SER A 101 4.526 3.609 2.807 1.00 0.00 C ATOM 342 C SER A 101 5.244 2.284 2.640 1.00 0.00 C ATOM 343 O SER A 101 4.784 1.253 3.132 1.00 0.00 O ATOM 344 CB SER A 101 5.099 4.363 4.010 1.00 0.00 C ATOM 345 OG SER A 101 4.170 5.351 4.428 1.00 0.00 O ATOM 0 H SER A 101 2.848 3.047 3.931 1.00 0.00 H new ATOM 0 HA SER A 101 4.673 4.202 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.302 3.669 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.048 4.829 3.744 1.00 0.00 H new ATOM 0 HG SER A 101 4.532 5.835 5.199 1.00 0.00 H new ATOM 351 N ALA A 102 6.388 2.311 1.966 1.00 0.00 N ATOM 352 CA ALA A 102 7.158 1.094 1.781 1.00 0.00 C ATOM 353 C ALA A 102 7.388 0.481 3.149 1.00 0.00 C ATOM 354 O ALA A 102 7.291 -0.731 3.336 1.00 0.00 O ATOM 355 CB ALA A 102 8.500 1.411 1.128 1.00 0.00 C ATOM 0 H ALA A 102 6.794 3.147 1.547 1.00 0.00 H new ATOM 0 HA ALA A 102 6.619 0.403 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.067 0.489 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.331 1.876 0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.062 2.094 1.765 1.00 0.00 H new ATOM 361 N ALA A 103 7.673 1.354 4.108 1.00 0.00 N ATOM 362 CA ALA A 103 7.894 0.936 5.479 1.00 0.00 C ATOM 363 C ALA A 103 6.701 0.129 5.962 1.00 0.00 C ATOM 364 O ALA A 103 6.847 -0.975 6.485 1.00 0.00 O ATOM 365 CB ALA A 103 8.056 2.177 6.357 1.00 0.00 C ATOM 0 H ALA A 103 7.756 2.359 3.956 1.00 0.00 H new ATOM 0 HA ALA A 103 8.793 0.322 5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.223 1.872 7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.908 2.760 6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.153 2.784 6.299 1.00 0.00 H new ATOM 371 N GLU A 104 5.516 0.692 5.765 1.00 0.00 N ATOM 372 CA GLU A 104 4.295 0.033 6.156 1.00 0.00 C ATOM 373 C GLU A 104 4.092 -1.216 5.309 1.00 0.00 C ATOM 374 O GLU A 104 3.725 -2.274 5.815 1.00 0.00 O ATOM 375 CB GLU A 104 3.134 0.997 5.951 1.00 0.00 C ATOM 376 CG GLU A 104 3.260 2.164 6.931 1.00 0.00 C ATOM 377 CD GLU A 104 2.142 3.167 6.682 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.880 3.457 5.526 1.00 0.00 O ATOM 379 OE2 GLU A 104 1.562 3.631 7.650 1.00 0.00 O ATOM 0 H GLU A 104 5.383 1.607 5.334 1.00 0.00 H new ATOM 0 HA GLU A 104 4.348 -0.261 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.132 1.368 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.187 0.480 6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.211 1.797 7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.229 2.648 6.812 1.00 0.00 H new ATOM 386 N LEU A 105 4.347 -1.079 4.013 1.00 0.00 N ATOM 387 CA LEU A 105 4.201 -2.195 3.087 1.00 0.00 C ATOM 388 C LEU A 105 5.157 -3.322 3.472 1.00 0.00 C ATOM 389 O LEU A 105 4.795 -4.498 3.446 1.00 0.00 O ATOM 390 CB LEU A 105 4.501 -1.718 1.656 1.00 0.00 C ATOM 391 CG LEU A 105 3.881 -2.684 0.624 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.424 -2.292 0.341 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.676 -2.620 -0.687 1.00 0.00 C ATOM 0 H LEU A 105 4.655 -0.208 3.581 1.00 0.00 H new ATOM 0 HA LEU A 105 3.179 -2.570 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.102 -0.714 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.579 -1.657 1.505 1.00 0.00 H new ATOM 0 HG LEU A 105 3.913 -3.695 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.997 -2.980 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.848 -2.340 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.391 -1.277 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.236 -3.303 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.647 -1.604 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.711 -2.907 -0.500 1.00 0.00 H new ATOM 405 N ARG A 106 6.373 -2.942 3.851 1.00 0.00 N ATOM 406 CA ARG A 106 7.371 -3.921 4.266 1.00 0.00 C ATOM 407 C ARG A 106 6.912 -4.621 5.541 1.00 0.00 C ATOM 408 O ARG A 106 7.039 -5.838 5.677 1.00 0.00 O ATOM 409 CB ARG A 106 8.719 -3.234 4.516 1.00 0.00 C ATOM 410 CG ARG A 106 9.778 -4.285 4.873 1.00 0.00 C ATOM 411 CD ARG A 106 11.118 -3.593 5.127 1.00 0.00 C ATOM 412 NE ARG A 106 12.145 -4.584 5.450 1.00 0.00 N ATOM 413 CZ ARG A 106 12.410 -4.927 6.709 1.00 0.00 C ATOM 414 NH1 ARG A 106 11.434 -5.193 7.533 1.00 0.00 N ATOM 415 NH2 ARG A 106 13.647 -4.997 7.118 1.00 0.00 N ATOM 0 H ARG A 106 6.689 -1.973 3.879 1.00 0.00 H new ATOM 0 HA ARG A 106 7.489 -4.657 3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.026 -2.681 3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.624 -2.510 5.325 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.470 -4.841 5.759 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.877 -5.007 4.062 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.415 -3.025 4.246 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.019 -2.881 5.947 1.00 0.00 H new ATOM 0 HE ARG A 106 12.670 -5.022 4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.467 -5.138 7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.638 -5.456 8.497 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.410 -4.789 6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.851 -5.260 8.082 1.00 0.00 H new ATOM 429 N HIS A 107 6.383 -3.834 6.473 1.00 0.00 N ATOM 430 CA HIS A 107 5.912 -4.369 7.747 1.00 0.00 C ATOM 431 C HIS A 107 4.709 -5.293 7.546 1.00 0.00 C ATOM 432 O HIS A 107 4.622 -6.354 8.160 1.00 0.00 O ATOM 433 CB HIS A 107 5.529 -3.215 8.673 1.00 0.00 C ATOM 434 CG HIS A 107 5.160 -3.757 10.026 1.00 0.00 C ATOM 435 ND1 HIS A 107 6.117 -4.133 10.956 1.00 0.00 N ATOM 436 CD2 HIS A 107 3.946 -3.996 10.619 1.00 0.00 C ATOM 437 CE1 HIS A 107 5.467 -4.575 12.047 1.00 0.00 C ATOM 438 NE2 HIS A 107 4.142 -4.512 11.895 1.00 0.00 N ATOM 0 H HIS A 107 6.270 -2.825 6.371 1.00 0.00 H new ATOM 0 HA HIS A 107 6.716 -4.952 8.195 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.361 -2.517 8.764 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.691 -2.659 8.251 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.984 -3.811 10.164 1.00 0.00 H new ATOM 0 HE1 HIS A 107 5.957 -4.937 12.938 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.427 -4.784 12.570 1.00 0.00 H new ATOM 446 N VAL A 108 3.786 -4.879 6.684 1.00 0.00 N ATOM 447 CA VAL A 108 2.591 -5.674 6.406 1.00 0.00 C ATOM 448 C VAL A 108 2.978 -6.995 5.739 1.00 0.00 C ATOM 449 O VAL A 108 2.464 -8.058 6.094 1.00 0.00 O ATOM 450 CB VAL A 108 1.643 -4.869 5.507 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.441 -5.731 5.103 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.150 -3.620 6.266 1.00 0.00 C ATOM 0 H VAL A 108 3.840 -4.002 6.167 1.00 0.00 H new ATOM 0 HA VAL A 108 2.082 -5.904 7.342 1.00 0.00 H new ATOM 0 HB VAL A 108 2.179 -4.563 4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.225 -5.150 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.789 -6.609 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.097 -6.047 5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.477 -3.048 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.621 -3.928 7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.004 -3.000 6.540 1.00 0.00 H new ATOM 462 N MET A 109 3.905 -6.918 4.790 1.00 0.00 N ATOM 463 CA MET A 109 4.381 -8.107 4.089 1.00 0.00 C ATOM 464 C MET A 109 5.109 -9.033 5.067 1.00 0.00 C ATOM 465 O MET A 109 5.040 -10.255 4.954 1.00 0.00 O ATOM 466 CB MET A 109 5.327 -7.697 2.950 1.00 0.00 C ATOM 467 CG MET A 109 4.511 -7.230 1.738 1.00 0.00 C ATOM 468 SD MET A 109 3.743 -8.658 0.933 1.00 0.00 S ATOM 469 CE MET A 109 2.971 -7.756 -0.433 1.00 0.00 C ATOM 0 H MET A 109 4.341 -6.047 4.488 1.00 0.00 H new ATOM 0 HA MET A 109 3.528 -8.638 3.668 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.988 -6.898 3.284 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.961 -8.539 2.671 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.744 -6.523 2.054 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.156 -6.706 1.033 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.431 -8.455 -1.072 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.276 -7.017 -0.034 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.741 -7.251 -1.017 1.00 0.00 H new ATOM 479 N THR A 110 5.795 -8.432 6.035 1.00 0.00 N ATOM 480 CA THR A 110 6.520 -9.197 7.047 1.00 0.00 C ATOM 481 C THR A 110 5.536 -9.939 7.953 1.00 0.00 C ATOM 482 O THR A 110 5.733 -11.112 8.279 1.00 0.00 O ATOM 483 CB THR A 110 7.400 -8.263 7.875 1.00 0.00 C ATOM 484 OG1 THR A 110 8.158 -7.439 6.998 1.00 0.00 O ATOM 485 CG2 THR A 110 8.350 -9.085 8.748 1.00 0.00 C ATOM 0 H THR A 110 5.865 -7.420 6.141 1.00 0.00 H new ATOM 0 HA THR A 110 7.155 -9.930 6.549 1.00 0.00 H new ATOM 0 HB THR A 110 6.772 -7.643 8.515 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.609 -6.683 6.703 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.976 -8.414 9.337 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.771 -9.721 9.417 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.982 -9.706 8.113 1.00 0.00 H new ATOM 493 N ASN A 111 4.468 -9.247 8.343 1.00 0.00 N ATOM 494 CA ASN A 111 3.439 -9.839 9.194 1.00 0.00 C ATOM 495 C ASN A 111 2.873 -11.066 8.497 1.00 0.00 C ATOM 496 O ASN A 111 2.568 -12.085 9.118 1.00 0.00 O ATOM 497 CB ASN A 111 2.313 -8.822 9.414 1.00 0.00 C ATOM 498 CG ASN A 111 1.199 -9.429 10.260 1.00 0.00 C ATOM 499 OD1 ASN A 111 0.124 -9.734 9.744 1.00 0.00 O ATOM 500 ND2 ASN A 111 1.392 -9.618 11.535 1.00 0.00 N ATOM 0 H ASN A 111 4.293 -8.276 8.083 1.00 0.00 H new ATOM 0 HA ASN A 111 3.870 -10.119 10.155 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.709 -7.934 9.907 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.913 -8.501 8.452 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.651 -10.020 12.109 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.284 -9.364 11.959 1.00 0.00 H new ATOM 507 N LEU A 112 2.744 -10.925 7.190 1.00 0.00 N ATOM 508 CA LEU A 112 2.217 -11.969 6.322 1.00 0.00 C ATOM 509 C LEU A 112 2.996 -13.277 6.517 1.00 0.00 C ATOM 510 O LEU A 112 2.419 -14.336 6.762 1.00 0.00 O ATOM 511 CB LEU A 112 2.423 -11.461 4.874 1.00 0.00 C ATOM 512 CG LEU A 112 1.313 -11.906 3.892 1.00 0.00 C ATOM 513 CD1 LEU A 112 0.829 -13.340 4.160 1.00 0.00 C ATOM 514 CD2 LEU A 112 0.133 -10.932 3.979 1.00 0.00 C ATOM 0 H LEU A 112 3.005 -10.073 6.693 1.00 0.00 H new ATOM 0 HA LEU A 112 1.169 -12.170 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.471 -10.372 4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.385 -11.819 4.507 1.00 0.00 H new ATOM 0 HG LEU A 112 1.739 -11.895 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.051 -13.601 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.665 -14.032 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.427 -13.405 5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.649 -11.245 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.261 -10.928 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.469 -9.929 3.716 1.00 0.00 H new ATOM 526 N GLY A 113 4.311 -13.176 6.365 1.00 0.00 N ATOM 527 CA GLY A 113 5.204 -14.335 6.470 1.00 0.00 C ATOM 528 C GLY A 113 5.822 -14.593 5.103 1.00 0.00 C ATOM 529 O GLY A 113 6.310 -15.682 4.807 1.00 0.00 O ATOM 0 H GLY A 113 4.790 -12.298 6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.983 -14.147 7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.650 -15.211 6.807 1.00 0.00 H new ATOM 533 N GLU A 114 5.799 -13.539 4.295 1.00 0.00 N ATOM 534 CA GLU A 114 6.358 -13.551 2.950 1.00 0.00 C ATOM 535 C GLU A 114 6.884 -12.150 2.642 1.00 0.00 C ATOM 536 O GLU A 114 6.171 -11.312 2.093 1.00 0.00 O ATOM 537 CB GLU A 114 5.294 -13.960 1.918 1.00 0.00 C ATOM 538 CG GLU A 114 3.958 -13.334 2.292 1.00 0.00 C ATOM 539 CD GLU A 114 2.913 -13.628 1.218 1.00 0.00 C ATOM 540 OE1 GLU A 114 3.113 -13.204 0.093 1.00 0.00 O ATOM 541 OE2 GLU A 114 1.925 -14.269 1.541 1.00 0.00 O ATOM 0 H GLU A 114 5.387 -12.644 4.559 1.00 0.00 H new ATOM 0 HA GLU A 114 7.167 -14.280 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.594 -13.635 0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.203 -15.046 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.622 -13.725 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.074 -12.257 2.410 1.00 0.00 H new ATOM 548 N LYS A 115 8.134 -11.889 3.021 1.00 0.00 N ATOM 549 CA LYS A 115 8.727 -10.571 2.798 1.00 0.00 C ATOM 550 C LYS A 115 9.480 -10.523 1.477 1.00 0.00 C ATOM 551 O LYS A 115 9.903 -11.551 0.949 1.00 0.00 O ATOM 552 CB LYS A 115 9.670 -10.211 3.943 1.00 0.00 C ATOM 553 CG LYS A 115 10.840 -11.193 3.984 1.00 0.00 C ATOM 554 CD LYS A 115 11.712 -10.883 5.202 1.00 0.00 C ATOM 555 CE LYS A 115 12.880 -11.868 5.264 1.00 0.00 C ATOM 556 NZ LYS A 115 13.808 -11.608 4.127 1.00 0.00 N ATOM 0 H LYS A 115 8.749 -12.562 3.478 1.00 0.00 H new ATOM 0 HA LYS A 115 7.916 -9.844 2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.042 -9.195 3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 115 9.131 -10.235 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.470 -12.217 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.429 -11.114 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.088 -9.862 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.118 -10.951 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.409 -11.762 6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.509 -12.892 5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.725 -12.061 4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.403 -11.999 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.944 -10.583 4.017 1.00 0.00 H new ATOM 570 N LEU A 116 9.624 -9.311 0.947 1.00 0.00 N ATOM 571 CA LEU A 116 10.308 -9.088 -0.330 1.00 0.00 C ATOM 572 C LEU A 116 11.596 -8.313 -0.095 1.00 0.00 C ATOM 573 O LEU A 116 11.844 -7.806 1.001 1.00 0.00 O ATOM 574 CB LEU A 116 9.402 -8.282 -1.314 1.00 0.00 C ATOM 575 CG LEU A 116 7.993 -8.101 -0.733 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.246 -7.025 -1.519 1.00 0.00 C ATOM 577 CD2 LEU A 116 7.237 -9.434 -0.826 1.00 0.00 C ATOM 0 H LEU A 116 9.273 -8.459 1.385 1.00 0.00 H new ATOM 0 HA LEU A 116 10.531 -10.060 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.848 -7.307 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.342 -8.803 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 116 8.062 -7.793 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.246 -6.899 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.788 -6.082 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.170 -7.325 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.235 -9.313 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.167 -9.740 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.772 -10.196 -0.259 1.00 0.00 H new ATOM 589 N THR A 117 12.393 -8.200 -1.145 1.00 0.00 N ATOM 590 CA THR A 117 13.635 -7.457 -1.070 1.00 0.00 C ATOM 591 C THR A 117 13.350 -5.969 -1.158 1.00 0.00 C ATOM 592 O THR A 117 12.222 -5.554 -1.423 1.00 0.00 O ATOM 593 CB THR A 117 14.566 -7.861 -2.206 1.00 0.00 C ATOM 594 OG1 THR A 117 14.144 -7.231 -3.403 1.00 0.00 O ATOM 595 CG2 THR A 117 14.527 -9.375 -2.377 1.00 0.00 C ATOM 0 H THR A 117 12.200 -8.614 -2.057 1.00 0.00 H new ATOM 0 HA THR A 117 14.117 -7.682 -0.119 1.00 0.00 H new ATOM 0 HB THR A 117 15.585 -7.552 -1.976 1.00 0.00 H new ATOM 0 HG1 THR A 117 14.355 -7.807 -4.168 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.193 -9.667 -3.189 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.851 -9.854 -1.453 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.510 -9.689 -2.611 1.00 0.00 H new ATOM 603 N ASP A 118 14.376 -5.169 -0.945 1.00 0.00 N ATOM 604 CA ASP A 118 14.227 -3.727 -1.017 1.00 0.00 C ATOM 605 C ASP A 118 13.828 -3.318 -2.428 1.00 0.00 C ATOM 606 O ASP A 118 13.027 -2.403 -2.618 1.00 0.00 O ATOM 607 CB ASP A 118 15.549 -3.065 -0.632 1.00 0.00 C ATOM 608 CG ASP A 118 15.401 -1.549 -0.637 1.00 0.00 C ATOM 609 OD1 ASP A 118 14.344 -1.080 -1.024 1.00 0.00 O ATOM 610 OD2 ASP A 118 16.345 -0.877 -0.256 1.00 0.00 O ATOM 0 H ASP A 118 15.318 -5.490 -0.722 1.00 0.00 H new ATOM 0 HA ASP A 118 13.447 -3.405 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.859 -3.404 0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.330 -3.363 -1.331 1.00 0.00 H new ATOM 615 N GLU A 119 14.414 -3.990 -3.412 1.00 0.00 N ATOM 616 CA GLU A 119 14.145 -3.689 -4.811 1.00 0.00 C ATOM 617 C GLU A 119 12.719 -4.068 -5.217 1.00 0.00 C ATOM 618 O GLU A 119 12.072 -3.338 -5.967 1.00 0.00 O ATOM 619 CB GLU A 119 15.154 -4.437 -5.690 1.00 0.00 C ATOM 620 CG GLU A 119 15.331 -3.706 -7.025 1.00 0.00 C ATOM 621 CD GLU A 119 14.007 -3.685 -7.782 1.00 0.00 C ATOM 622 OE1 GLU A 119 13.293 -4.673 -7.713 1.00 0.00 O ATOM 623 OE2 GLU A 119 13.724 -2.682 -8.415 1.00 0.00 O ATOM 0 H GLU A 119 15.080 -4.749 -3.265 1.00 0.00 H new ATOM 0 HA GLU A 119 14.247 -2.613 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.113 -4.510 -5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.809 -5.456 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.676 -2.687 -6.849 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.095 -4.202 -7.623 1.00 0.00 H new ATOM 630 N GLU A 120 12.217 -5.194 -4.712 1.00 0.00 N ATOM 631 CA GLU A 120 10.857 -5.602 -5.041 1.00 0.00 C ATOM 632 C GLU A 120 9.908 -4.584 -4.443 1.00 0.00 C ATOM 633 O GLU A 120 8.953 -4.139 -5.082 1.00 0.00 O ATOM 634 CB GLU A 120 10.556 -6.990 -4.460 1.00 0.00 C ATOM 635 CG GLU A 120 11.125 -8.078 -5.369 1.00 0.00 C ATOM 636 CD GLU A 120 12.583 -7.786 -5.696 1.00 0.00 C ATOM 637 OE1 GLU A 120 12.828 -6.822 -6.403 1.00 0.00 O ATOM 638 OE2 GLU A 120 13.433 -8.532 -5.240 1.00 0.00 O ATOM 0 H GLU A 120 12.719 -5.825 -4.088 1.00 0.00 H new ATOM 0 HA GLU A 120 10.737 -5.653 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.988 -7.076 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.479 -7.122 -4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.042 -9.049 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.543 -8.133 -6.289 1.00 0.00 H new ATOM 645 N VAL A 121 10.196 -4.222 -3.202 1.00 0.00 N ATOM 646 CA VAL A 121 9.394 -3.253 -2.488 1.00 0.00 C ATOM 647 C VAL A 121 9.398 -1.925 -3.233 1.00 0.00 C ATOM 648 O VAL A 121 8.347 -1.347 -3.490 1.00 0.00 O ATOM 649 CB VAL A 121 9.994 -3.075 -1.083 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.415 -1.834 -0.404 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.677 -4.310 -0.240 1.00 0.00 C ATOM 0 H VAL A 121 10.985 -4.590 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 121 8.363 -3.599 -2.412 1.00 0.00 H new ATOM 0 HB VAL A 121 11.073 -2.951 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.852 -1.725 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.646 -0.952 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.334 -1.939 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.100 -4.188 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.596 -4.430 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.108 -5.193 -0.712 1.00 0.00 H new ATOM 661 N ASP A 122 10.585 -1.452 -3.589 1.00 0.00 N ATOM 662 CA ASP A 122 10.707 -0.191 -4.311 1.00 0.00 C ATOM 663 C ASP A 122 10.037 -0.270 -5.685 1.00 0.00 C ATOM 664 O ASP A 122 9.277 0.621 -6.064 1.00 0.00 O ATOM 665 CB ASP A 122 12.185 0.156 -4.483 1.00 0.00 C ATOM 666 CG ASP A 122 12.334 1.593 -4.967 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.400 2.357 -4.788 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.381 1.909 -5.506 1.00 0.00 O ATOM 0 H ASP A 122 11.471 -1.917 -3.392 1.00 0.00 H new ATOM 0 HA ASP A 122 10.205 0.584 -3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.709 0.027 -3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.646 -0.526 -5.198 1.00 0.00 H new ATOM 673 N GLU A 123 10.341 -1.328 -6.434 1.00 0.00 N ATOM 674 CA GLU A 123 9.781 -1.496 -7.774 1.00 0.00 C ATOM 675 C GLU A 123 8.259 -1.442 -7.738 1.00 0.00 C ATOM 676 O GLU A 123 7.634 -0.782 -8.564 1.00 0.00 O ATOM 677 CB GLU A 123 10.233 -2.837 -8.360 1.00 0.00 C ATOM 678 CG GLU A 123 9.751 -2.958 -9.808 1.00 0.00 C ATOM 679 CD GLU A 123 10.267 -4.258 -10.420 1.00 0.00 C ATOM 680 OE1 GLU A 123 10.749 -5.091 -9.670 1.00 0.00 O ATOM 681 OE2 GLU A 123 10.173 -4.400 -11.628 1.00 0.00 O ATOM 0 H GLU A 123 10.967 -2.077 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 123 10.142 -0.681 -8.401 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.320 -2.914 -8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.834 -3.658 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.662 -2.938 -9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 123 10.103 -2.107 -10.390 1.00 0.00 H new ATOM 688 N MET A 124 7.669 -2.125 -6.766 1.00 0.00 N ATOM 689 CA MET A 124 6.220 -2.132 -6.616 1.00 0.00 C ATOM 690 C MET A 124 5.718 -0.740 -6.249 1.00 0.00 C ATOM 691 O MET A 124 4.715 -0.257 -6.779 1.00 0.00 O ATOM 692 CB MET A 124 5.848 -3.130 -5.518 1.00 0.00 C ATOM 693 CG MET A 124 4.368 -2.998 -5.162 1.00 0.00 C ATOM 694 SD MET A 124 3.848 -4.463 -4.234 1.00 0.00 S ATOM 695 CE MET A 124 2.225 -3.855 -3.714 1.00 0.00 C ATOM 0 H MET A 124 8.170 -2.680 -6.072 1.00 0.00 H new ATOM 0 HA MET A 124 5.755 -2.424 -7.558 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.059 -4.145 -5.853 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.459 -2.952 -4.633 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.203 -2.099 -4.568 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.771 -2.896 -6.068 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.725 -4.618 -3.118 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.349 -2.951 -3.117 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.622 -3.629 -4.594 1.00 0.00 H new ATOM 705 N ILE A 125 6.440 -0.110 -5.341 1.00 0.00 N ATOM 706 CA ILE A 125 6.113 1.233 -4.875 1.00 0.00 C ATOM 707 C ILE A 125 6.293 2.274 -5.983 1.00 0.00 C ATOM 708 O ILE A 125 5.439 3.139 -6.167 1.00 0.00 O ATOM 709 CB ILE A 125 6.985 1.541 -3.647 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.481 0.716 -2.439 1.00 0.00 C ATOM 711 CG2 ILE A 125 6.990 3.032 -3.309 1.00 0.00 C ATOM 712 CD1 ILE A 125 5.073 1.154 -1.995 1.00 0.00 C ATOM 0 H ILE A 125 7.270 -0.511 -4.904 1.00 0.00 H new ATOM 0 HA ILE A 125 5.061 1.280 -4.592 1.00 0.00 H new ATOM 0 HB ILE A 125 8.012 1.262 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.467 -0.342 -2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.176 0.828 -1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.618 3.205 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.383 3.596 -4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.973 3.360 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.756 0.551 -1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.093 2.205 -1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.373 1.017 -2.819 1.00 0.00 H new ATOM 724 N ARG A 126 7.393 2.185 -6.720 1.00 0.00 N ATOM 725 CA ARG A 126 7.648 3.129 -7.808 1.00 0.00 C ATOM 726 C ARG A 126 6.682 2.891 -8.959 1.00 0.00 C ATOM 727 O ARG A 126 6.260 3.825 -9.641 1.00 0.00 O ATOM 728 CB ARG A 126 9.088 2.983 -8.307 1.00 0.00 C ATOM 729 CG ARG A 126 10.081 3.379 -7.184 1.00 0.00 C ATOM 730 CD ARG A 126 10.541 4.829 -7.364 1.00 0.00 C ATOM 731 NE ARG A 126 9.407 5.734 -7.245 1.00 0.00 N ATOM 732 CZ ARG A 126 9.494 7.000 -7.633 1.00 0.00 C ATOM 733 NH1 ARG A 126 9.869 7.285 -8.850 1.00 0.00 N ATOM 734 NH2 ARG A 126 9.199 7.956 -6.797 1.00 0.00 N ATOM 0 H ARG A 126 8.117 1.479 -6.589 1.00 0.00 H new ATOM 0 HA ARG A 126 7.500 4.139 -7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.271 1.955 -8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.244 3.615 -9.181 1.00 0.00 H new ATOM 0 HG2 ARG A 126 9.605 3.260 -6.211 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.943 2.713 -7.201 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.293 5.076 -6.614 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.012 4.951 -8.339 1.00 0.00 H new ATOM 0 HE ARG A 126 8.529 5.389 -6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.095 6.535 -9.503 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.936 8.258 -9.148 1.00 0.00 H new ATOM 0 HH21 ARG A 126 8.902 7.730 -5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 126 9.265 8.930 -7.092 1.00 0.00 H new ATOM 748 N GLU A 127 6.342 1.629 -9.158 1.00 0.00 N ATOM 749 CA GLU A 127 5.424 1.244 -10.219 1.00 0.00 C ATOM 750 C GLU A 127 3.998 1.671 -9.876 1.00 0.00 C ATOM 751 O GLU A 127 3.258 2.153 -10.735 1.00 0.00 O ATOM 752 CB GLU A 127 5.492 -0.272 -10.418 1.00 0.00 C ATOM 753 CG GLU A 127 4.628 -0.688 -11.607 1.00 0.00 C ATOM 754 CD GLU A 127 5.216 -0.125 -12.895 1.00 0.00 C ATOM 755 OE1 GLU A 127 6.390 0.212 -12.891 1.00 0.00 O ATOM 756 OE2 GLU A 127 4.486 -0.035 -13.867 1.00 0.00 O ATOM 0 H GLU A 127 6.689 0.851 -8.597 1.00 0.00 H new ATOM 0 HA GLU A 127 5.713 1.745 -11.143 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.525 -0.578 -10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.151 -0.780 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 127 4.574 -1.775 -11.666 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.609 -0.325 -11.472 1.00 0.00 H new ATOM 763 N ALA A 128 3.623 1.495 -8.615 1.00 0.00 N ATOM 764 CA ALA A 128 2.285 1.874 -8.171 1.00 0.00 C ATOM 765 C ALA A 128 2.193 3.389 -7.985 1.00 0.00 C ATOM 766 O ALA A 128 1.097 3.945 -7.961 1.00 0.00 O ATOM 767 CB ALA A 128 1.927 1.168 -6.856 1.00 0.00 C ATOM 0 H ALA A 128 4.218 1.097 -7.888 1.00 0.00 H new ATOM 0 HA ALA A 128 1.575 1.565 -8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.926 1.465 -6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.955 0.088 -7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.645 1.448 -6.085 1.00 0.00 H new ATOM 773 N ASP A 129 3.350 4.050 -7.852 1.00 0.00 N ATOM 774 CA ASP A 129 3.392 5.513 -7.653 1.00 0.00 C ATOM 775 C ASP A 129 3.484 6.267 -8.978 1.00 0.00 C ATOM 776 O ASP A 129 4.431 6.088 -9.744 1.00 0.00 O ATOM 777 CB ASP A 129 4.594 5.890 -6.785 1.00 0.00 C ATOM 778 CG ASP A 129 4.285 5.642 -5.315 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.284 6.165 -4.850 1.00 0.00 O ATOM 780 OD2 ASP A 129 5.052 4.944 -4.678 1.00 0.00 O ATOM 0 H ASP A 129 4.266 3.603 -7.878 1.00 0.00 H new ATOM 0 HA ASP A 129 2.463 5.797 -7.159 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.464 5.306 -7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.847 6.939 -6.938 1.00 0.00 H new ATOM 785 N VAL A 130 2.482 7.097 -9.261 1.00 0.00 N ATOM 786 CA VAL A 130 2.440 7.842 -10.525 1.00 0.00 C ATOM 787 C VAL A 130 2.516 9.318 -10.272 1.00 0.00 C ATOM 788 O VAL A 130 2.921 10.090 -11.133 1.00 0.00 O ATOM 789 CB VAL A 130 1.208 7.341 -11.269 1.00 0.00 C ATOM 790 CG1 VAL A 130 1.046 7.994 -12.665 1.00 0.00 C ATOM 791 CG2 VAL A 130 1.387 5.798 -11.404 1.00 0.00 C ATOM 0 H VAL A 130 1.692 7.272 -8.640 1.00 0.00 H new ATOM 0 HA VAL A 130 3.304 7.667 -11.167 1.00 0.00 H new ATOM 0 HB VAL A 130 0.305 7.605 -10.718 1.00 0.00 H new ATOM 0 HG11 VAL A 130 0.153 7.600 -13.149 1.00 0.00 H new ATOM 0 HG12 VAL A 130 0.952 9.074 -12.553 1.00 0.00 H new ATOM 0 HG13 VAL A 130 1.920 7.768 -13.276 1.00 0.00 H new ATOM 0 HG21 VAL A 130 0.531 5.377 -11.932 1.00 0.00 H new ATOM 0 HG22 VAL A 130 2.298 5.585 -11.963 1.00 0.00 H new ATOM 0 HG23 VAL A 130 1.457 5.352 -10.412 1.00 0.00 H new ATOM 801 N ASP A 131 2.243 9.681 -9.057 1.00 0.00 N ATOM 802 CA ASP A 131 2.422 11.046 -8.654 1.00 0.00 C ATOM 803 C ASP A 131 3.819 11.129 -8.051 1.00 0.00 C ATOM 804 O ASP A 131 4.306 12.202 -7.704 1.00 0.00 O ATOM 805 CB ASP A 131 1.389 11.421 -7.621 1.00 0.00 C ATOM 806 CG ASP A 131 0.011 11.021 -8.118 1.00 0.00 C ATOM 807 OD1 ASP A 131 -0.470 11.652 -9.044 1.00 0.00 O ATOM 808 OD2 ASP A 131 -0.534 10.075 -7.575 1.00 0.00 O ATOM 0 H ASP A 131 1.897 9.057 -8.328 1.00 0.00 H new ATOM 0 HA ASP A 131 2.309 11.729 -9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.606 10.923 -6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.422 12.494 -7.430 1.00 0.00 H new ATOM 813 N GLY A 132 4.463 9.962 -7.944 1.00 0.00 N ATOM 814 CA GLY A 132 5.808 9.881 -7.394 1.00 0.00 C ATOM 815 C GLY A 132 5.846 10.383 -5.950 1.00 0.00 C ATOM 816 O GLY A 132 6.903 10.408 -5.320 1.00 0.00 O ATOM 0 H GLY A 132 4.070 9.066 -8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.158 8.849 -7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.490 10.472 -8.005 1.00 0.00 H new ATOM 820 N ASP A 133 4.687 10.799 -5.443 1.00 0.00 N ATOM 821 CA ASP A 133 4.602 11.318 -4.073 1.00 0.00 C ATOM 822 C ASP A 133 5.456 10.478 -3.125 1.00 0.00 C ATOM 823 O ASP A 133 5.852 10.941 -2.054 1.00 0.00 O ATOM 824 CB ASP A 133 3.152 11.315 -3.586 1.00 0.00 C ATOM 825 CG ASP A 133 2.578 9.904 -3.662 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.278 9.028 -4.143 1.00 0.00 O ATOM 827 OD2 ASP A 133 1.453 9.721 -3.231 1.00 0.00 O ATOM 0 H ASP A 133 3.802 10.789 -5.950 1.00 0.00 H new ATOM 0 HA ASP A 133 4.976 12.342 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.104 11.681 -2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.554 11.993 -4.195 1.00 0.00 H new ATOM 832 N GLY A 134 5.741 9.245 -3.532 1.00 0.00 N ATOM 833 CA GLY A 134 6.556 8.339 -2.721 1.00 0.00 C ATOM 834 C GLY A 134 5.683 7.505 -1.796 1.00 0.00 C ATOM 835 O GLY A 134 6.177 6.690 -1.019 1.00 0.00 O ATOM 0 H GLY A 134 5.422 8.848 -4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.134 7.683 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.270 8.915 -2.132 1.00 0.00 H new ATOM 839 N GLN A 135 4.378 7.708 -1.901 1.00 0.00 N ATOM 840 CA GLN A 135 3.415 6.971 -1.094 1.00 0.00 C ATOM 841 C GLN A 135 2.210 6.626 -1.944 1.00 0.00 C ATOM 842 O GLN A 135 1.945 7.275 -2.958 1.00 0.00 O ATOM 843 CB GLN A 135 2.956 7.806 0.101 1.00 0.00 C ATOM 844 CG GLN A 135 4.058 7.873 1.149 1.00 0.00 C ATOM 845 CD GLN A 135 3.760 8.968 2.166 1.00 0.00 C ATOM 846 OE1 GLN A 135 2.678 9.687 2.042 1.00 0.00 O flip ATOM 847 NE2 GLN A 135 4.531 9.171 3.102 1.00 0.00 N flip ATOM 0 H GLN A 135 3.959 8.382 -2.542 1.00 0.00 H new ATOM 0 HA GLN A 135 3.894 6.063 -0.727 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.695 8.812 -0.228 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.057 7.369 0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.145 6.912 1.656 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.016 8.067 0.666 1.00 0.00 H new ATOM 0 HE21 GLN A 135 5.376 8.608 3.198 1.00 0.00 H new ATOM 0 HE22 GLN A 135 4.325 9.902 3.783 1.00 0.00 H new ATOM 856 N ILE A 136 1.466 5.612 -1.523 1.00 0.00 N ATOM 857 CA ILE A 136 0.275 5.205 -2.250 1.00 0.00 C ATOM 858 C ILE A 136 -0.937 5.742 -1.512 1.00 0.00 C ATOM 859 O ILE A 136 -1.244 5.312 -0.399 1.00 0.00 O ATOM 860 CB ILE A 136 0.229 3.658 -2.358 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.000 3.180 -3.594 1.00 0.00 C ATOM 862 CG2 ILE A 136 -1.210 3.147 -2.453 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.487 3.427 -3.383 1.00 0.00 C ATOM 0 H ILE A 136 1.665 5.061 -0.688 1.00 0.00 H new ATOM 0 HA ILE A 136 0.285 5.606 -3.263 1.00 0.00 H new ATOM 0 HB ILE A 136 0.691 3.260 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 136 0.816 2.119 -3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.653 3.710 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -1.206 2.060 -2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.762 3.448 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -1.688 3.569 -3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.040 3.089 -4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 136 2.661 4.492 -3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.826 2.877 -2.505 1.00 0.00 H new ATOM 875 N ASN A 137 -1.646 6.654 -2.156 1.00 0.00 N ATOM 876 CA ASN A 137 -2.848 7.207 -1.569 1.00 0.00 C ATOM 877 C ASN A 137 -3.973 6.230 -1.855 1.00 0.00 C ATOM 878 O ASN A 137 -3.813 5.337 -2.688 1.00 0.00 O ATOM 879 CB ASN A 137 -3.142 8.585 -2.169 1.00 0.00 C ATOM 880 CG ASN A 137 -4.449 9.140 -1.613 1.00 0.00 C ATOM 881 OD1 ASN A 137 -5.522 8.617 -1.912 1.00 0.00 O ATOM 882 ND2 ASN A 137 -4.423 10.177 -0.820 1.00 0.00 N ATOM 0 H ASN A 137 -1.410 7.023 -3.077 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.736 7.345 -0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.324 9.269 -1.943 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.204 8.510 -3.255 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.294 10.556 -0.447 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.532 10.609 -0.574 1.00 0.00 H new ATOM 889 N TYR A 138 -5.089 6.356 -1.168 1.00 0.00 N ATOM 890 CA TYR A 138 -6.176 5.418 -1.390 1.00 0.00 C ATOM 891 C TYR A 138 -6.556 5.357 -2.870 1.00 0.00 C ATOM 892 O TYR A 138 -6.721 4.273 -3.427 1.00 0.00 O ATOM 893 CB TYR A 138 -7.396 5.805 -0.559 1.00 0.00 C ATOM 894 CG TYR A 138 -8.514 4.857 -0.903 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.411 3.514 -0.540 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.635 5.311 -1.603 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.428 2.620 -0.875 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.657 4.419 -1.938 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.555 3.072 -1.574 1.00 0.00 C ATOM 900 OH TYR A 138 -11.563 2.189 -1.906 1.00 0.00 O ATOM 0 H TYR A 138 -5.268 7.077 -0.469 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.832 4.431 -1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.165 5.751 0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.690 6.833 -0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.543 3.166 0.001 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.711 6.351 -1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.347 1.580 -0.596 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.525 4.769 -2.477 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.285 2.672 -2.359 1.00 0.00 H new ATOM 910 N GLU A 139 -6.698 6.513 -3.502 1.00 0.00 N ATOM 911 CA GLU A 139 -7.070 6.552 -4.912 1.00 0.00 C ATOM 912 C GLU A 139 -6.100 5.722 -5.753 1.00 0.00 C ATOM 913 O GLU A 139 -6.514 4.980 -6.642 1.00 0.00 O ATOM 914 CB GLU A 139 -7.077 8.000 -5.404 1.00 0.00 C ATOM 915 CG GLU A 139 -5.651 8.553 -5.382 1.00 0.00 C ATOM 916 CD GLU A 139 -5.668 10.063 -5.587 1.00 0.00 C ATOM 917 OE1 GLU A 139 -6.014 10.488 -6.677 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.329 10.771 -4.655 1.00 0.00 O ATOM 0 H GLU A 139 -6.564 7.427 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.068 6.127 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.482 8.050 -6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.724 8.607 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.175 8.313 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.058 8.079 -6.164 1.00 0.00 H new ATOM 925 N GLU A 140 -4.809 5.858 -5.480 1.00 0.00 N ATOM 926 CA GLU A 140 -3.803 5.117 -6.228 1.00 0.00 C ATOM 927 C GLU A 140 -3.888 3.634 -5.887 1.00 0.00 C ATOM 928 O GLU A 140 -3.805 2.773 -6.764 1.00 0.00 O ATOM 929 CB GLU A 140 -2.417 5.652 -5.883 1.00 0.00 C ATOM 930 CG GLU A 140 -1.384 5.112 -6.870 1.00 0.00 C ATOM 931 CD GLU A 140 -0.082 5.890 -6.713 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.595 5.681 -5.721 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.214 6.689 -7.585 1.00 0.00 O ATOM 0 H GLU A 140 -4.436 6.469 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.983 5.243 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.422 6.742 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.148 5.360 -4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.211 4.051 -6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.756 5.205 -7.890 1.00 0.00 H new ATOM 940 N PHE A 141 -4.087 3.356 -4.603 1.00 0.00 N ATOM 941 CA PHE A 141 -4.215 1.985 -4.129 1.00 0.00 C ATOM 942 C PHE A 141 -5.354 1.307 -4.874 1.00 0.00 C ATOM 943 O PHE A 141 -5.304 0.116 -5.185 1.00 0.00 O ATOM 944 CB PHE A 141 -4.521 1.981 -2.634 1.00 0.00 C ATOM 945 CG PHE A 141 -4.806 0.571 -2.176 1.00 0.00 C ATOM 946 CD1 PHE A 141 -3.771 -0.371 -2.101 1.00 0.00 C ATOM 947 CD2 PHE A 141 -6.110 0.204 -1.831 1.00 0.00 C ATOM 948 CE1 PHE A 141 -4.043 -1.676 -1.681 1.00 0.00 C ATOM 949 CE2 PHE A 141 -6.381 -1.097 -1.410 1.00 0.00 C ATOM 950 CZ PHE A 141 -5.350 -2.039 -1.335 1.00 0.00 C ATOM 0 H PHE A 141 -4.163 4.063 -3.872 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.282 1.451 -4.307 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.677 2.390 -2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.379 2.621 -2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.763 -0.089 -2.368 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.908 0.929 -1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -3.246 -2.403 -1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -7.389 -1.378 -1.141 1.00 0.00 H new ATOM 0 HZ PHE A 141 -5.562 -3.047 -1.010 1.00 0.00 H new ATOM 960 N VAL A 142 -6.380 2.094 -5.148 1.00 0.00 N ATOM 961 CA VAL A 142 -7.541 1.610 -5.864 1.00 0.00 C ATOM 962 C VAL A 142 -7.168 1.336 -7.322 1.00 0.00 C ATOM 963 O VAL A 142 -7.587 0.336 -7.905 1.00 0.00 O ATOM 964 CB VAL A 142 -8.667 2.651 -5.772 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.873 2.197 -6.606 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.090 2.846 -4.292 1.00 0.00 C ATOM 0 H VAL A 142 -6.430 3.077 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.891 0.679 -5.418 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.303 3.600 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.666 2.942 -6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.573 2.085 -7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.237 1.242 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.889 3.586 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.444 1.898 -3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.234 3.191 -3.712 1.00 0.00 H new ATOM 976 N LYS A 143 -6.381 2.246 -7.902 1.00 0.00 N ATOM 977 CA LYS A 143 -5.947 2.123 -9.295 1.00 0.00 C ATOM 978 C LYS A 143 -5.062 0.887 -9.511 1.00 0.00 C ATOM 979 O LYS A 143 -5.279 0.120 -10.448 1.00 0.00 O ATOM 980 CB LYS A 143 -5.157 3.384 -9.688 1.00 0.00 C ATOM 981 CG LYS A 143 -4.799 3.346 -11.180 1.00 0.00 C ATOM 982 CD LYS A 143 -4.048 4.633 -11.569 1.00 0.00 C ATOM 983 CE LYS A 143 -3.707 4.612 -13.066 1.00 0.00 C ATOM 984 NZ LYS A 143 -2.951 5.849 -13.429 1.00 0.00 N ATOM 0 H LYS A 143 -6.031 3.078 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 143 -6.835 2.013 -9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -5.748 4.274 -9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.248 3.452 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -4.180 2.474 -11.393 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -5.705 3.248 -11.778 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -4.661 5.505 -11.340 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -3.135 4.722 -10.981 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -3.113 3.729 -13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -4.621 4.547 -13.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -2.722 5.831 -14.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -3.533 6.685 -13.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -2.071 5.893 -12.876 1.00 0.00 H new ATOM 998 N VAL A 144 -4.069 0.704 -8.644 1.00 0.00 N ATOM 999 CA VAL A 144 -3.155 -0.434 -8.756 1.00 0.00 C ATOM 1000 C VAL A 144 -3.846 -1.754 -8.410 1.00 0.00 C ATOM 1001 O VAL A 144 -3.634 -2.768 -9.075 1.00 0.00 O ATOM 1002 CB VAL A 144 -1.976 -0.221 -7.805 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -2.499 -0.134 -6.375 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -0.998 -1.390 -7.920 1.00 0.00 C ATOM 0 H VAL A 144 -3.876 1.325 -7.859 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.814 -0.494 -9.789 1.00 0.00 H new ATOM 0 HB VAL A 144 -1.459 0.702 -8.067 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -1.664 0.018 -5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -3.193 0.702 -6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -3.014 -1.060 -6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.161 -1.232 -7.240 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -1.507 -2.318 -7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -0.627 -1.455 -8.943 1.00 0.00 H new ATOM 1014 N MET A 145 -4.662 -1.735 -7.360 1.00 0.00 N ATOM 1015 CA MET A 145 -5.362 -2.941 -6.924 1.00 0.00 C ATOM 1016 C MET A 145 -6.434 -3.334 -7.927 1.00 0.00 C ATOM 1017 O MET A 145 -6.620 -4.511 -8.225 1.00 0.00 O ATOM 1018 CB MET A 145 -5.996 -2.709 -5.554 1.00 0.00 C ATOM 1019 CG MET A 145 -6.612 -4.011 -5.024 1.00 0.00 C ATOM 1020 SD MET A 145 -5.325 -5.268 -4.796 1.00 0.00 S ATOM 1021 CE MET A 145 -4.915 -4.880 -3.077 1.00 0.00 C ATOM 0 H MET A 145 -4.854 -0.905 -6.799 1.00 0.00 H new ATOM 0 HA MET A 145 -4.638 -3.753 -6.855 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.244 -2.344 -4.855 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.764 -1.939 -5.627 1.00 0.00 H new ATOM 0 HG2 MET A 145 -7.118 -3.823 -4.077 1.00 0.00 H new ATOM 0 HG3 MET A 145 -7.366 -4.375 -5.722 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.511 -5.767 -2.590 1.00 0.00 H new ATOM 0 HE2 MET A 145 -4.173 -4.082 -3.051 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.814 -4.556 -2.553 1.00 0.00 H new ATOM 1031 N MET A 146 -7.142 -2.338 -8.432 1.00 0.00 N ATOM 1032 CA MET A 146 -8.202 -2.587 -9.409 1.00 0.00 C ATOM 1033 C MET A 146 -7.620 -3.140 -10.708 1.00 0.00 C ATOM 1034 O MET A 146 -8.175 -4.062 -11.307 1.00 0.00 O ATOM 1035 CB MET A 146 -8.972 -1.294 -9.698 1.00 0.00 C ATOM 1036 CG MET A 146 -10.104 -1.577 -10.693 1.00 0.00 C ATOM 1037 SD MET A 146 -11.079 -0.072 -10.944 1.00 0.00 S ATOM 1038 CE MET A 146 -12.639 -0.882 -11.373 1.00 0.00 C ATOM 0 H MET A 146 -7.008 -1.357 -8.188 1.00 0.00 H new ATOM 0 HA MET A 146 -8.885 -3.325 -8.988 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.381 -0.889 -8.773 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.297 -0.541 -10.105 1.00 0.00 H new ATOM 0 HG2 MET A 146 -9.691 -1.918 -11.642 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.741 -2.377 -10.317 1.00 0.00 H new ATOM 0 HE1 MET A 146 -13.399 -0.126 -11.572 1.00 0.00 H new ATOM 0 HE2 MET A 146 -12.497 -1.497 -12.262 1.00 0.00 H new ATOM 0 HE3 MET A 146 -12.962 -1.512 -10.544 1.00 0.00 H new ATOM 1048 N ALA A 147 -6.501 -2.563 -11.147 1.00 0.00 N ATOM 1049 CA ALA A 147 -5.852 -2.996 -12.385 1.00 0.00 C ATOM 1050 C ALA A 147 -4.866 -4.125 -12.112 1.00 0.00 C ATOM 1051 O ALA A 147 -4.973 -5.199 -12.700 1.00 0.00 O ATOM 1052 CB ALA A 147 -5.118 -1.820 -13.027 1.00 0.00 C ATOM 0 H ALA A 147 -6.027 -1.798 -10.667 1.00 0.00 H new ATOM 0 HA ALA A 147 -6.621 -3.361 -13.065 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.637 -2.150 -13.948 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -5.830 -1.027 -13.254 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.362 -1.443 -12.338 1.00 0.00 H new ATOM 1058 N LYS A 148 -3.907 -3.866 -11.223 1.00 0.00 N ATOM 1059 CA LYS A 148 -2.900 -4.860 -10.867 1.00 0.00 C ATOM 1060 C LYS A 148 -1.978 -5.140 -12.048 1.00 0.00 C ATOM 1061 O LYS A 148 -2.489 -5.412 -13.120 1.00 0.00 O ATOM 1062 CB LYS A 148 -3.572 -6.160 -10.421 1.00 0.00 C ATOM 1063 CG LYS A 148 -4.720 -5.839 -9.462 1.00 0.00 C ATOM 1064 CD LYS A 148 -5.154 -7.108 -8.727 1.00 0.00 C ATOM 1065 CE LYS A 148 -5.766 -8.095 -9.723 1.00 0.00 C ATOM 1066 NZ LYS A 148 -6.463 -9.179 -8.980 1.00 0.00 N ATOM 1067 OXT LYS A 148 -0.774 -5.075 -11.862 1.00 0.00 O ATOM 0 H LYS A 148 -3.808 -2.975 -10.737 1.00 0.00 H new ATOM 0 HA LYS A 148 -2.307 -4.462 -10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -3.949 -6.703 -11.288 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.845 -6.808 -9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -4.405 -5.082 -8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -5.562 -5.423 -10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -4.298 -7.563 -8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -5.880 -6.861 -7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -6.468 -7.579 -10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -4.987 -8.517 -10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -6.880 -9.851 -9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -5.782 -9.677 -8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -7.216 -8.768 -8.392 1.00 0.00 H new TER 1081 LYS A 148 HETATM 1082 CA CA A 221 1.249 5.877 6.351 1.00 0.00 CA HETATM 1083 CA CA A 234 1.240 8.325 -5.746 1.00 0.00 CA