USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 426 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 9 ASN : amide:sc= 0.167 K(o=-0.12,f=0.61) USER MOD Set 1.2: A 56 THR OG1 : rot -169:sc= -0.284 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 THR OG1 : rot 92:sc= 0.218 USER MOD Set 3.1: A 45 THR OG1 : rot -1:sc= -0.24! USER MOD Set 3.2: A 54 THR OG1 : rot 155:sc= 0.497 USER MOD Single : A 2 THR OG1 : rot 41:sc= 0.24 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 128:sc= 0.853 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 22:sc= 0.22 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -2.99! USER MOD Single : A 36 ASN : amide:sc= 0.251 X(o=0.25,f=-0.019) USER MOD Single : A 38 ASN : amide:sc= 0.204 X(o=0.2,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.764 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -3.159 -12.148 7.306 1.00 0.00 N ATOM 21 CA THR A 2 -2.892 -11.407 6.038 1.00 0.00 C ATOM 22 C THR A 2 -1.850 -10.311 6.275 1.00 0.00 C ATOM 23 O THR A 2 -1.831 -9.675 7.309 1.00 0.00 O ATOM 24 CB THR A 2 -4.237 -10.792 5.644 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.208 -11.821 5.522 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.096 -10.061 4.306 1.00 0.00 C ATOM 0 HA THR A 2 -2.498 -12.057 5.257 1.00 0.00 H new ATOM 0 HB THR A 2 -4.550 -10.083 6.411 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.094 -12.467 6.250 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.055 -9.624 4.027 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.351 -9.271 4.400 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.782 -10.767 3.537 1.00 0.00 H new ATOM 34 N THR A 3 -0.990 -10.090 5.315 1.00 0.00 N ATOM 35 CA THR A 3 0.054 -9.033 5.460 1.00 0.00 C ATOM 36 C THR A 3 0.457 -8.517 4.080 1.00 0.00 C ATOM 37 O THR A 3 1.200 -9.158 3.362 1.00 0.00 O ATOM 38 CB THR A 3 1.238 -9.717 6.144 1.00 0.00 C ATOM 39 OG1 THR A 3 0.773 -10.453 7.266 1.00 0.00 O ATOM 40 CG2 THR A 3 2.245 -8.659 6.605 1.00 0.00 C ATOM 0 H THR A 3 -0.966 -10.600 4.432 1.00 0.00 H new ATOM 0 HA THR A 3 -0.300 -8.179 6.038 1.00 0.00 H new ATOM 0 HB THR A 3 1.723 -10.394 5.441 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.530 -10.894 7.705 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.089 -9.148 7.092 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.601 -8.095 5.743 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.763 -7.980 7.308 1.00 0.00 H new ATOM 48 N PHE A 4 -0.036 -7.368 3.705 1.00 0.00 N ATOM 49 CA PHE A 4 0.305 -6.805 2.369 1.00 0.00 C ATOM 50 C PHE A 4 1.505 -5.868 2.480 1.00 0.00 C ATOM 51 O PHE A 4 1.763 -5.298 3.523 1.00 0.00 O ATOM 52 CB PHE A 4 -0.942 -6.036 1.936 1.00 0.00 C ATOM 53 CG PHE A 4 -1.998 -7.020 1.500 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.894 -7.648 0.255 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.075 -7.313 2.346 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.866 -8.571 -0.147 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.048 -8.233 1.942 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.944 -8.863 0.696 1.00 0.00 C ATOM 0 H PHE A 4 -0.662 -6.794 4.269 1.00 0.00 H new ATOM 0 HA PHE A 4 0.576 -7.579 1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.313 -5.426 2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.700 -5.356 1.119 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.063 -7.421 -0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.154 -6.829 3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.784 -9.058 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.881 -8.458 2.592 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.695 -9.574 0.386 1.00 0.00 H new ATOM 68 N LYS A 5 2.237 -5.711 1.411 1.00 0.00 N ATOM 69 CA LYS A 5 3.426 -4.812 1.440 1.00 0.00 C ATOM 70 C LYS A 5 3.182 -3.615 0.517 1.00 0.00 C ATOM 71 O LYS A 5 2.087 -3.423 0.021 1.00 0.00 O ATOM 72 CB LYS A 5 4.594 -5.661 0.920 1.00 0.00 C ATOM 73 CG LYS A 5 4.747 -6.922 1.778 1.00 0.00 C ATOM 74 CD LYS A 5 5.999 -7.687 1.344 1.00 0.00 C ATOM 75 CE LYS A 5 5.763 -9.190 1.511 1.00 0.00 C ATOM 76 NZ LYS A 5 7.125 -9.789 1.568 1.00 0.00 N ATOM 0 H LYS A 5 2.062 -6.168 0.516 1.00 0.00 H new ATOM 0 HA LYS A 5 3.629 -4.423 2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.419 -5.937 -0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.516 -5.080 0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.820 -6.651 2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.866 -7.555 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.236 -7.459 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.855 -7.374 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.200 -9.403 2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.188 -9.594 0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.046 -10.820 1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.635 -9.576 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.646 -9.390 2.375 1.00 0.00 H new ATOM 90 N LEU A 6 4.189 -2.814 0.280 1.00 0.00 N ATOM 91 CA LEU A 6 4.009 -1.632 -0.613 1.00 0.00 C ATOM 92 C LEU A 6 5.370 -1.098 -1.065 1.00 0.00 C ATOM 93 O LEU A 6 6.093 -0.493 -0.297 1.00 0.00 O ATOM 94 CB LEU A 6 3.268 -0.600 0.249 1.00 0.00 C ATOM 95 CG LEU A 6 3.084 0.715 -0.521 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.940 0.570 -1.523 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.753 1.837 0.465 1.00 0.00 C ATOM 0 H LEU A 6 5.126 -2.928 0.666 1.00 0.00 H new ATOM 0 HA LEU A 6 3.455 -1.872 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.295 -0.995 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.827 -0.415 1.166 1.00 0.00 H new ATOM 0 HG LEU A 6 4.004 0.953 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.813 1.506 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.171 -0.230 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.019 0.331 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.622 2.772 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.833 1.594 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.568 1.945 1.181 1.00 0.00 H new ATOM 109 N ILE A 7 5.705 -1.294 -2.313 1.00 0.00 N ATOM 110 CA ILE A 7 6.999 -0.777 -2.831 1.00 0.00 C ATOM 111 C ILE A 7 6.787 0.669 -3.261 1.00 0.00 C ATOM 112 O ILE A 7 5.955 0.951 -4.105 1.00 0.00 O ATOM 113 CB ILE A 7 7.343 -1.663 -4.032 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.494 -3.115 -3.569 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.659 -1.193 -4.656 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.294 -4.054 -4.760 1.00 0.00 C ATOM 0 H ILE A 7 5.134 -1.792 -2.996 1.00 0.00 H new ATOM 0 HA ILE A 7 7.803 -0.800 -2.096 1.00 0.00 H new ATOM 0 HB ILE A 7 6.544 -1.595 -4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.481 -3.268 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.764 -3.337 -2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.902 -1.824 -5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.556 -0.159 -4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.457 -1.260 -3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.401 -5.087 -4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.297 -3.907 -5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.041 -3.837 -5.524 1.00 0.00 H new ATOM 128 N ILE A 8 7.507 1.589 -2.677 1.00 0.00 N ATOM 129 CA ILE A 8 7.308 3.018 -3.053 1.00 0.00 C ATOM 130 C ILE A 8 8.184 3.363 -4.259 1.00 0.00 C ATOM 131 O ILE A 8 9.393 3.441 -4.152 1.00 0.00 O ATOM 132 CB ILE A 8 7.718 3.880 -1.848 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.182 3.295 -0.513 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.175 5.299 -2.062 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.656 3.433 -0.385 1.00 0.00 C ATOM 0 H ILE A 8 8.216 1.416 -1.964 1.00 0.00 H new ATOM 0 HA ILE A 8 6.267 3.202 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 8 8.806 3.894 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.456 2.242 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.662 3.804 0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.456 5.927 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.594 5.715 -2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.089 5.264 -2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.331 3.009 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.381 4.487 -0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.173 2.901 -1.204 1.00 0.00 H new ATOM 147 N ASN A 9 7.584 3.571 -5.403 1.00 0.00 N ATOM 148 CA ASN A 9 8.380 3.913 -6.620 1.00 0.00 C ATOM 149 C ASN A 9 8.405 5.430 -6.827 1.00 0.00 C ATOM 150 O ASN A 9 8.119 5.923 -7.902 1.00 0.00 O ATOM 151 CB ASN A 9 7.656 3.222 -7.776 1.00 0.00 C ATOM 152 CG ASN A 9 8.447 3.426 -9.069 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.506 2.857 -9.245 1.00 0.00 O ATOM 154 ND2 ASN A 9 7.976 4.223 -9.989 1.00 0.00 N ATOM 0 H ASN A 9 6.576 3.519 -5.547 1.00 0.00 H new ATOM 0 HA ASN A 9 9.417 3.588 -6.540 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.548 2.158 -7.567 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.651 3.629 -7.884 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.497 4.367 -10.854 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.087 4.701 -9.843 1.00 0.00 H new ATOM 161 N GLY A 10 8.747 6.170 -5.802 1.00 0.00 N ATOM 162 CA GLY A 10 8.795 7.656 -5.925 1.00 0.00 C ATOM 163 C GLY A 10 10.116 8.175 -5.355 1.00 0.00 C ATOM 164 O GLY A 10 11.183 7.839 -5.837 1.00 0.00 O ATOM 0 H GLY A 10 8.996 5.806 -4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.699 7.948 -6.971 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.956 8.103 -5.391 1.00 0.00 H new ATOM 168 N LYS A 11 10.052 8.991 -4.332 1.00 0.00 N ATOM 169 CA LYS A 11 11.303 9.538 -3.724 1.00 0.00 C ATOM 170 C LYS A 11 11.022 10.068 -2.314 1.00 0.00 C ATOM 171 O LYS A 11 11.430 11.159 -1.961 1.00 0.00 O ATOM 172 CB LYS A 11 11.738 10.679 -4.653 1.00 0.00 C ATOM 173 CG LYS A 11 10.624 11.736 -4.756 1.00 0.00 C ATOM 174 CD LYS A 11 10.203 11.911 -6.218 1.00 0.00 C ATOM 175 CE LYS A 11 11.256 12.738 -6.958 1.00 0.00 C ATOM 176 NZ LYS A 11 10.489 13.527 -7.962 1.00 0.00 N ATOM 0 H LYS A 11 9.186 9.302 -3.892 1.00 0.00 H new ATOM 0 HA LYS A 11 12.078 8.777 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.651 11.138 -4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.967 10.284 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.766 11.432 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.974 12.686 -4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.090 10.937 -6.694 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.233 12.406 -6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.798 13.390 -6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.994 12.097 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.143 14.121 -8.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.989 12.879 -8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.799 14.133 -7.474 1.00 0.00 H new ATOM 190 N THR A 12 10.330 9.302 -1.509 1.00 0.00 N ATOM 191 CA THR A 12 10.020 9.754 -0.119 1.00 0.00 C ATOM 192 C THR A 12 10.237 8.605 0.870 1.00 0.00 C ATOM 193 O THR A 12 11.073 8.684 1.751 1.00 0.00 O ATOM 194 CB THR A 12 8.547 10.164 -0.152 1.00 0.00 C ATOM 195 OG1 THR A 12 8.287 10.891 -1.346 1.00 0.00 O ATOM 196 CG2 THR A 12 8.232 11.041 1.061 1.00 0.00 C ATOM 0 H THR A 12 9.966 8.382 -1.755 1.00 0.00 H new ATOM 0 HA THR A 12 10.662 10.575 0.201 1.00 0.00 H new ATOM 0 HB THR A 12 7.920 9.273 -0.125 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.516 10.498 -1.807 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.182 11.333 1.036 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.432 10.483 1.975 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.857 11.934 1.037 1.00 0.00 H new ATOM 204 N LEU A 13 9.491 7.540 0.728 1.00 0.00 N ATOM 205 CA LEU A 13 9.648 6.378 1.653 1.00 0.00 C ATOM 206 C LEU A 13 10.650 5.374 1.076 1.00 0.00 C ATOM 207 O LEU A 13 11.597 4.982 1.730 1.00 0.00 O ATOM 208 CB LEU A 13 8.257 5.750 1.739 1.00 0.00 C ATOM 209 CG LEU A 13 7.400 6.524 2.738 1.00 0.00 C ATOM 210 CD1 LEU A 13 5.927 6.154 2.541 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.834 6.168 4.163 1.00 0.00 C ATOM 0 H LEU A 13 8.777 7.425 0.009 1.00 0.00 H new ATOM 0 HA LEU A 13 10.023 6.678 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.783 5.758 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.337 4.707 2.046 1.00 0.00 H new ATOM 0 HG LEU A 13 7.528 7.594 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.315 6.706 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.621 6.408 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.796 5.084 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.223 6.720 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.706 5.098 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.882 6.433 4.301 1.00 0.00 H new ATOM 223 N LYS A 14 10.444 4.956 -0.151 1.00 0.00 N ATOM 224 CA LYS A 14 11.374 3.972 -0.798 1.00 0.00 C ATOM 225 C LYS A 14 11.577 2.742 0.094 1.00 0.00 C ATOM 226 O LYS A 14 12.554 2.643 0.812 1.00 0.00 O ATOM 227 CB LYS A 14 12.696 4.722 -0.985 1.00 0.00 C ATOM 228 CG LYS A 14 12.601 5.622 -2.218 1.00 0.00 C ATOM 229 CD LYS A 14 12.990 4.823 -3.465 1.00 0.00 C ATOM 230 CE LYS A 14 14.510 4.878 -3.664 1.00 0.00 C ATOM 231 NZ LYS A 14 14.701 5.219 -5.102 1.00 0.00 N ATOM 0 H LYS A 14 9.665 5.256 -0.737 1.00 0.00 H new ATOM 0 HA LYS A 14 10.975 3.608 -1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.915 5.320 -0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.516 4.013 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.587 6.008 -2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.260 6.483 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.665 3.788 -3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.484 5.229 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.965 5.628 -3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.974 3.922 -3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.718 5.274 -5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.264 4.484 -5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.255 6.137 -5.303 1.00 0.00 H new ATOM 245 N GLY A 15 10.659 1.808 0.052 1.00 0.00 N ATOM 246 CA GLY A 15 10.794 0.584 0.895 1.00 0.00 C ATOM 247 C GLY A 15 9.549 -0.291 0.737 1.00 0.00 C ATOM 248 O GLY A 15 8.686 -0.017 -0.077 1.00 0.00 O ATOM 0 H GLY A 15 9.822 1.842 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.683 0.025 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.924 0.863 1.941 1.00 0.00 H new ATOM 252 N GLU A 16 9.453 -1.341 1.511 1.00 0.00 N ATOM 253 CA GLU A 16 8.269 -2.245 1.419 1.00 0.00 C ATOM 254 C GLU A 16 7.659 -2.461 2.808 1.00 0.00 C ATOM 255 O GLU A 16 7.689 -3.554 3.346 1.00 0.00 O ATOM 256 CB GLU A 16 8.821 -3.559 0.861 1.00 0.00 C ATOM 257 CG GLU A 16 9.116 -3.397 -0.632 1.00 0.00 C ATOM 258 CD GLU A 16 9.177 -4.776 -1.292 1.00 0.00 C ATOM 259 OE1 GLU A 16 8.145 -5.423 -1.362 1.00 0.00 O ATOM 260 OE2 GLU A 16 10.254 -5.161 -1.717 1.00 0.00 O ATOM 0 H GLU A 16 10.148 -1.612 2.207 1.00 0.00 H new ATOM 0 HA GLU A 16 7.480 -1.834 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.730 -3.839 1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.101 -4.363 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.342 -2.791 -1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.061 -2.873 -0.772 1.00 0.00 H new ATOM 267 N ILE A 17 7.103 -1.427 3.391 1.00 0.00 N ATOM 268 CA ILE A 17 6.487 -1.569 4.748 1.00 0.00 C ATOM 269 C ILE A 17 5.354 -2.601 4.702 1.00 0.00 C ATOM 270 O ILE A 17 4.386 -2.444 3.982 1.00 0.00 O ATOM 271 CB ILE A 17 5.953 -0.173 5.100 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.309 -0.211 6.492 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.916 0.275 4.059 1.00 0.00 C ATOM 274 CD1 ILE A 17 5.554 1.118 7.206 1.00 0.00 C ATOM 0 H ILE A 17 7.049 -0.492 2.987 1.00 0.00 H new ATOM 0 HA ILE A 17 7.200 -1.918 5.495 1.00 0.00 H new ATOM 0 HB ILE A 17 6.780 0.538 5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.238 -0.396 6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.727 -1.031 7.075 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.544 1.266 4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.381 0.309 3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.086 -0.431 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.096 1.090 8.195 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.626 1.284 7.308 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.114 1.929 6.626 1.00 0.00 H new ATOM 286 N THR A 18 5.479 -3.658 5.462 1.00 0.00 N ATOM 287 CA THR A 18 4.425 -4.716 5.464 1.00 0.00 C ATOM 288 C THR A 18 3.357 -4.404 6.514 1.00 0.00 C ATOM 289 O THR A 18 3.660 -3.965 7.607 1.00 0.00 O ATOM 290 CB THR A 18 5.159 -6.012 5.824 1.00 0.00 C ATOM 291 OG1 THR A 18 5.718 -5.886 7.125 1.00 0.00 O ATOM 292 CG2 THR A 18 6.278 -6.285 4.813 1.00 0.00 C ATOM 0 H THR A 18 6.268 -3.834 6.083 1.00 0.00 H new ATOM 0 HA THR A 18 3.916 -4.786 4.502 1.00 0.00 H new ATOM 0 HB THR A 18 4.452 -6.842 5.801 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.236 -5.193 7.623 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.792 -7.208 5.080 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.851 -6.383 3.815 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.988 -5.458 4.824 1.00 0.00 H new ATOM 300 N ILE A 19 2.109 -4.640 6.192 1.00 0.00 N ATOM 301 CA ILE A 19 1.015 -4.372 7.176 1.00 0.00 C ATOM 302 C ILE A 19 -0.105 -5.403 7.023 1.00 0.00 C ATOM 303 O ILE A 19 -0.350 -5.914 5.946 1.00 0.00 O ATOM 304 CB ILE A 19 0.506 -2.961 6.863 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.007 -2.892 5.419 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.647 -1.958 7.044 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.521 -3.126 5.400 1.00 0.00 C ATOM 0 H ILE A 19 1.801 -5.006 5.291 1.00 0.00 H new ATOM 0 HA ILE A 19 1.370 -4.444 8.204 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.311 -2.719 7.543 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.226 -1.920 4.986 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.495 -3.642 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.287 -0.953 6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.005 -1.996 8.073 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.463 -2.209 6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.884 -3.077 4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.743 -4.109 5.816 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.015 -2.359 5.997 1.00 0.00 H new ATOM 319 N GLU A 20 -0.783 -5.710 8.099 1.00 0.00 N ATOM 320 CA GLU A 20 -1.890 -6.710 8.034 1.00 0.00 C ATOM 321 C GLU A 20 -3.222 -6.014 7.740 1.00 0.00 C ATOM 322 O GLU A 20 -3.396 -4.843 8.020 1.00 0.00 O ATOM 323 CB GLU A 20 -1.915 -7.379 9.415 1.00 0.00 C ATOM 324 CG GLU A 20 -2.170 -6.333 10.511 1.00 0.00 C ATOM 325 CD GLU A 20 -0.879 -6.072 11.293 1.00 0.00 C ATOM 326 OE1 GLU A 20 -0.217 -7.034 11.644 1.00 0.00 O ATOM 327 OE2 GLU A 20 -0.576 -4.914 11.526 1.00 0.00 O ATOM 0 H GLU A 20 -0.617 -5.310 9.022 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.737 -7.439 7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.693 -8.142 9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.967 -7.884 9.599 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.529 -5.406 10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.950 -6.684 11.187 1.00 0.00 H new ATOM 334 N ALA A 21 -4.160 -6.730 7.172 1.00 0.00 N ATOM 335 CA ALA A 21 -5.485 -6.122 6.850 1.00 0.00 C ATOM 336 C ALA A 21 -6.491 -7.214 6.475 1.00 0.00 C ATOM 337 O ALA A 21 -6.122 -8.328 6.157 1.00 0.00 O ATOM 338 CB ALA A 21 -5.218 -5.209 5.652 1.00 0.00 C ATOM 0 H ALA A 21 -4.064 -7.713 6.917 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.906 -5.577 7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.146 -4.722 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.484 -4.452 5.928 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.834 -5.801 4.822 1.00 0.00 H new ATOM 344 N VAL A 22 -7.764 -6.898 6.509 1.00 0.00 N ATOM 345 CA VAL A 22 -8.813 -7.905 6.153 1.00 0.00 C ATOM 346 C VAL A 22 -8.528 -8.504 4.767 1.00 0.00 C ATOM 347 O VAL A 22 -8.718 -9.682 4.532 1.00 0.00 O ATOM 348 CB VAL A 22 -10.134 -7.122 6.149 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.071 -5.990 5.115 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.289 -8.065 5.799 1.00 0.00 C ATOM 0 H VAL A 22 -8.123 -5.980 6.770 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.840 -8.739 6.854 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.296 -6.695 7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.012 -5.440 5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.254 -5.313 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.902 -6.411 4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.226 -7.508 5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.121 -8.496 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.344 -8.863 6.539 1.00 0.00 H new ATOM 360 N ASP A 23 -8.065 -7.686 3.860 1.00 0.00 N ATOM 361 CA ASP A 23 -7.750 -8.167 2.485 1.00 0.00 C ATOM 362 C ASP A 23 -6.843 -7.147 1.799 1.00 0.00 C ATOM 363 O ASP A 23 -6.537 -6.113 2.362 1.00 0.00 O ATOM 364 CB ASP A 23 -9.098 -8.261 1.770 1.00 0.00 C ATOM 365 CG ASP A 23 -9.580 -9.713 1.769 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.181 -10.447 0.880 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.338 -10.066 2.656 1.00 0.00 O ATOM 0 H ASP A 23 -7.890 -6.693 4.016 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.234 -9.127 2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.830 -7.625 2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.004 -7.898 0.747 1.00 0.00 H new ATOM 372 N ALA A 24 -6.404 -7.425 0.596 1.00 0.00 N ATOM 373 CA ALA A 24 -5.511 -6.454 -0.105 1.00 0.00 C ATOM 374 C ALA A 24 -6.252 -5.133 -0.327 1.00 0.00 C ATOM 375 O ALA A 24 -5.656 -4.074 -0.358 1.00 0.00 O ATOM 376 CB ALA A 24 -5.154 -7.103 -1.443 1.00 0.00 C ATOM 0 H ALA A 24 -6.623 -8.274 0.074 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.616 -6.231 0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.499 -6.439 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.644 -8.049 -1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.065 -7.284 -2.014 1.00 0.00 H new ATOM 382 N ALA A 25 -7.555 -5.191 -0.469 1.00 0.00 N ATOM 383 CA ALA A 25 -8.351 -3.944 -0.678 1.00 0.00 C ATOM 384 C ALA A 25 -8.098 -2.968 0.473 1.00 0.00 C ATOM 385 O ALA A 25 -7.746 -1.823 0.264 1.00 0.00 O ATOM 386 CB ALA A 25 -9.815 -4.392 -0.687 1.00 0.00 C ATOM 0 H ALA A 25 -8.101 -6.052 -0.449 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.082 -3.433 -1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.460 -3.526 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.972 -5.105 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.057 -4.864 0.265 1.00 0.00 H new ATOM 392 N GLU A 26 -8.258 -3.429 1.686 1.00 0.00 N ATOM 393 CA GLU A 26 -8.010 -2.548 2.866 1.00 0.00 C ATOM 394 C GLU A 26 -6.536 -2.145 2.891 1.00 0.00 C ATOM 395 O GLU A 26 -6.194 -1.018 3.197 1.00 0.00 O ATOM 396 CB GLU A 26 -8.360 -3.402 4.086 1.00 0.00 C ATOM 397 CG GLU A 26 -8.183 -2.575 5.362 1.00 0.00 C ATOM 398 CD GLU A 26 -9.530 -1.982 5.777 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.214 -1.455 4.914 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.856 -2.065 6.950 1.00 0.00 O ATOM 0 H GLU A 26 -8.550 -4.380 1.911 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.600 -1.632 2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.388 -3.757 4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.720 -4.284 4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.787 -3.201 6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.459 -1.778 5.194 1.00 0.00 H new ATOM 407 N ALA A 27 -5.658 -3.060 2.553 1.00 0.00 N ATOM 408 CA ALA A 27 -4.194 -2.736 2.532 1.00 0.00 C ATOM 409 C ALA A 27 -3.945 -1.535 1.618 1.00 0.00 C ATOM 410 O ALA A 27 -3.248 -0.605 1.977 1.00 0.00 O ATOM 411 CB ALA A 27 -3.503 -3.978 1.968 1.00 0.00 C ATOM 0 H ALA A 27 -5.891 -4.018 2.291 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.818 -2.483 3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.427 -3.808 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.710 -4.833 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.878 -4.179 0.965 1.00 0.00 H new ATOM 417 N GLU A 28 -4.530 -1.544 0.441 1.00 0.00 N ATOM 418 CA GLU A 28 -4.347 -0.394 -0.496 1.00 0.00 C ATOM 419 C GLU A 28 -4.832 0.890 0.177 1.00 0.00 C ATOM 420 O GLU A 28 -4.248 1.937 0.013 1.00 0.00 O ATOM 421 CB GLU A 28 -5.195 -0.721 -1.728 1.00 0.00 C ATOM 422 CG GLU A 28 -4.690 0.091 -2.927 1.00 0.00 C ATOM 423 CD GLU A 28 -5.815 0.239 -3.953 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.938 0.480 -3.541 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.534 0.110 -5.133 1.00 0.00 O ATOM 0 H GLU A 28 -5.124 -2.297 0.093 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.303 -0.244 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.140 -1.787 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.242 -0.490 -1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.352 1.074 -2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.832 -0.406 -3.381 1.00 0.00 H new ATOM 432 N LYS A 29 -5.882 0.806 0.960 1.00 0.00 N ATOM 433 CA LYS A 29 -6.383 2.022 1.672 1.00 0.00 C ATOM 434 C LYS A 29 -5.347 2.437 2.717 1.00 0.00 C ATOM 435 O LYS A 29 -4.889 3.567 2.752 1.00 0.00 O ATOM 436 CB LYS A 29 -7.689 1.597 2.355 1.00 0.00 C ATOM 437 CG LYS A 29 -8.690 1.092 1.311 1.00 0.00 C ATOM 438 CD LYS A 29 -9.097 2.237 0.377 1.00 0.00 C ATOM 439 CE LYS A 29 -9.798 3.339 1.180 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.776 3.942 0.231 1.00 0.00 N ATOM 0 H LYS A 29 -6.411 -0.049 1.135 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.549 2.864 1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.488 0.814 3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.114 2.440 2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.247 0.281 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.571 0.686 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.216 2.642 -0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.761 1.864 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.299 2.930 2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.085 4.082 1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.296 4.706 0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.269 4.328 -0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.446 3.213 -0.087 1.00 0.00 H new ATOM 454 N ILE A 30 -4.954 1.508 3.555 1.00 0.00 N ATOM 455 CA ILE A 30 -3.923 1.807 4.599 1.00 0.00 C ATOM 456 C ILE A 30 -2.650 2.311 3.914 1.00 0.00 C ATOM 457 O ILE A 30 -1.991 3.219 4.387 1.00 0.00 O ATOM 458 CB ILE A 30 -3.669 0.468 5.307 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.952 0.004 6.001 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.564 0.631 6.355 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.868 -1.501 6.283 1.00 0.00 C ATOM 0 H ILE A 30 -5.305 0.550 3.561 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.242 2.574 5.305 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.360 -0.270 4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.092 0.552 6.933 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.816 0.219 5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.390 -0.323 6.852 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.646 0.959 5.868 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.868 1.374 7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.782 -1.830 6.777 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.749 -2.041 5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.013 -1.703 6.929 1.00 0.00 H new ATOM 473 N PHE A 31 -2.320 1.732 2.789 1.00 0.00 N ATOM 474 CA PHE A 31 -1.111 2.174 2.040 1.00 0.00 C ATOM 475 C PHE A 31 -1.405 3.518 1.368 1.00 0.00 C ATOM 476 O PHE A 31 -0.550 4.375 1.266 1.00 0.00 O ATOM 477 CB PHE A 31 -0.866 1.085 0.990 1.00 0.00 C ATOM 478 CG PHE A 31 -0.141 -0.084 1.616 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.030 0.127 2.355 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.638 -1.383 1.448 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.703 -0.959 2.926 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.035 -2.469 2.020 1.00 0.00 C ATOM 483 CZ PHE A 31 1.206 -2.257 2.757 1.00 0.00 C ATOM 0 H PHE A 31 -2.840 0.968 2.356 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.240 2.308 2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.816 0.752 0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.278 1.489 0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.414 1.128 2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.540 -1.547 0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.605 -0.796 3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.349 -3.470 1.893 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.727 -3.095 3.196 1.00 0.00 H new ATOM 493 N LYS A 32 -2.622 3.699 0.913 1.00 0.00 N ATOM 494 CA LYS A 32 -3.004 4.975 0.246 1.00 0.00 C ATOM 495 C LYS A 32 -3.207 6.105 1.268 1.00 0.00 C ATOM 496 O LYS A 32 -3.460 7.236 0.899 1.00 0.00 O ATOM 497 CB LYS A 32 -4.310 4.676 -0.490 1.00 0.00 C ATOM 498 CG LYS A 32 -4.001 3.940 -1.798 1.00 0.00 C ATOM 499 CD LYS A 32 -3.985 4.935 -2.960 1.00 0.00 C ATOM 500 CE LYS A 32 -5.419 5.203 -3.422 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.447 6.649 -3.772 1.00 0.00 N ATOM 0 H LYS A 32 -3.370 3.009 0.978 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.221 5.315 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.962 4.068 0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.843 5.604 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.037 3.437 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.750 3.169 -1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.512 5.866 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.394 4.537 -3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.679 4.584 -4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.137 4.974 -2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.400 6.909 -4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.202 7.214 -2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.759 6.836 -4.529 1.00 0.00 H new ATOM 515 N GLN A 33 -3.050 5.824 2.541 1.00 0.00 N ATOM 516 CA GLN A 33 -3.182 6.904 3.572 1.00 0.00 C ATOM 517 C GLN A 33 -1.776 7.145 4.085 1.00 0.00 C ATOM 518 O GLN A 33 -1.288 8.254 4.170 1.00 0.00 O ATOM 519 CB GLN A 33 -4.081 6.330 4.664 1.00 0.00 C ATOM 520 CG GLN A 33 -5.548 6.580 4.303 1.00 0.00 C ATOM 521 CD GLN A 33 -6.425 6.321 5.529 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.407 7.083 6.475 1.00 0.00 O ATOM 523 NE2 GLN A 33 -7.197 5.271 5.553 1.00 0.00 N ATOM 0 H GLN A 33 -2.837 4.897 2.909 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.607 7.839 3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.900 5.261 4.774 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.847 6.793 5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.679 7.606 3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.848 5.928 3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.212 4.631 4.759 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.786 5.089 6.366 1.00 0.00 H new ATOM 532 N TYR A 34 -1.108 6.060 4.348 1.00 0.00 N ATOM 533 CA TYR A 34 0.314 6.081 4.777 1.00 0.00 C ATOM 534 C TYR A 34 1.126 6.939 3.780 1.00 0.00 C ATOM 535 O TYR A 34 2.080 7.603 4.135 1.00 0.00 O ATOM 536 CB TYR A 34 0.663 4.589 4.683 1.00 0.00 C ATOM 537 CG TYR A 34 2.160 4.358 4.619 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.976 4.768 5.680 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.725 3.727 3.504 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.358 4.549 5.625 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.106 3.508 3.450 1.00 0.00 C ATOM 542 CZ TYR A 34 4.923 3.918 4.511 1.00 0.00 C ATOM 543 OH TYR A 34 6.284 3.702 4.456 1.00 0.00 O ATOM 0 H TYR A 34 -1.507 5.124 4.280 1.00 0.00 H new ATOM 0 HA TYR A 34 0.516 6.507 5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.252 4.066 5.546 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.192 4.162 3.798 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.540 5.253 6.541 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.095 3.409 2.686 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.988 4.867 6.443 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.542 3.022 2.590 1.00 0.00 H new ATOM 0 HH TYR A 34 6.510 3.252 3.615 1.00 0.00 H new ATOM 553 N ALA A 35 0.714 6.931 2.535 1.00 0.00 N ATOM 554 CA ALA A 35 1.403 7.744 1.487 1.00 0.00 C ATOM 555 C ALA A 35 1.238 9.230 1.824 1.00 0.00 C ATOM 556 O ALA A 35 2.192 9.944 2.060 1.00 0.00 O ATOM 557 CB ALA A 35 0.662 7.427 0.183 1.00 0.00 C ATOM 0 H ALA A 35 -0.081 6.388 2.198 1.00 0.00 H new ATOM 0 HA ALA A 35 2.468 7.522 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.111 7.988 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.734 6.360 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.387 7.707 0.283 1.00 0.00 H new ATOM 563 N ASN A 36 0.010 9.689 1.841 1.00 0.00 N ATOM 564 CA ASN A 36 -0.274 11.126 2.155 1.00 0.00 C ATOM 565 C ASN A 36 0.335 11.518 3.501 1.00 0.00 C ATOM 566 O ASN A 36 0.892 12.589 3.651 1.00 0.00 O ATOM 567 CB ASN A 36 -1.797 11.221 2.223 1.00 0.00 C ATOM 568 CG ASN A 36 -2.380 11.081 0.815 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.504 12.053 0.098 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.745 9.904 0.387 1.00 0.00 N ATOM 0 H ASN A 36 -0.817 9.124 1.649 1.00 0.00 H new ATOM 0 HA ASN A 36 0.153 11.795 1.408 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.192 10.439 2.871 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.094 12.176 2.658 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.135 9.800 -0.550 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.641 9.087 0.989 1.00 0.00 H new ATOM 577 N ASP A 37 0.229 10.655 4.482 1.00 0.00 N ATOM 578 CA ASP A 37 0.797 10.965 5.837 1.00 0.00 C ATOM 579 C ASP A 37 2.252 11.431 5.726 1.00 0.00 C ATOM 580 O ASP A 37 2.746 12.170 6.557 1.00 0.00 O ATOM 581 CB ASP A 37 0.713 9.653 6.620 1.00 0.00 C ATOM 582 CG ASP A 37 -0.687 9.509 7.222 1.00 0.00 C ATOM 583 OD1 ASP A 37 -0.892 10.000 8.319 1.00 0.00 O ATOM 584 OD2 ASP A 37 -1.529 8.908 6.575 1.00 0.00 O ATOM 0 H ASP A 37 -0.227 9.746 4.405 1.00 0.00 H new ATOM 0 HA ASP A 37 0.250 11.770 6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.927 8.810 5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.464 9.639 7.410 1.00 0.00 H new ATOM 589 N ASN A 38 2.929 11.004 4.698 1.00 0.00 N ATOM 590 CA ASN A 38 4.343 11.409 4.503 1.00 0.00 C ATOM 591 C ASN A 38 4.448 12.428 3.362 1.00 0.00 C ATOM 592 O ASN A 38 4.995 13.503 3.522 1.00 0.00 O ATOM 593 CB ASN A 38 5.082 10.121 4.142 1.00 0.00 C ATOM 594 CG ASN A 38 5.393 9.336 5.419 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.242 9.727 6.195 1.00 0.00 O ATOM 596 ND2 ASN A 38 4.735 8.237 5.670 1.00 0.00 N ATOM 0 H ASN A 38 2.556 10.385 3.978 1.00 0.00 H new ATOM 0 HA ASN A 38 4.763 11.881 5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.473 9.516 3.470 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.005 10.355 3.612 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.934 7.706 6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.022 7.909 5.018 1.00 0.00 H new ATOM 603 N GLY A 39 3.933 12.086 2.211 1.00 0.00 N ATOM 604 CA GLY A 39 3.992 13.006 1.040 1.00 0.00 C ATOM 605 C GLY A 39 4.189 12.158 -0.211 1.00 0.00 C ATOM 606 O GLY A 39 5.205 12.232 -0.876 1.00 0.00 O ATOM 0 H GLY A 39 3.468 11.196 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.074 13.589 0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.811 13.716 1.153 1.00 0.00 H new ATOM 610 N ILE A 40 3.239 11.312 -0.498 1.00 0.00 N ATOM 611 CA ILE A 40 3.355 10.395 -1.659 1.00 0.00 C ATOM 612 C ILE A 40 2.217 10.668 -2.655 1.00 0.00 C ATOM 613 O ILE A 40 1.074 10.819 -2.266 1.00 0.00 O ATOM 614 CB ILE A 40 3.197 9.045 -0.971 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.389 8.838 0.019 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.062 7.910 -1.999 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.340 7.733 -0.433 1.00 0.00 C ATOM 0 H ILE A 40 2.374 11.218 0.034 1.00 0.00 H new ATOM 0 HA ILE A 40 4.272 10.485 -2.241 1.00 0.00 H new ATOM 0 HB ILE A 40 2.273 9.027 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.943 9.772 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.998 8.595 1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.951 6.959 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.186 8.087 -2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.953 7.879 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.149 7.631 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.796 6.791 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.755 7.987 -1.409 1.00 0.00 H new ATOM 629 N ASP A 41 2.519 10.736 -3.930 1.00 0.00 N ATOM 630 CA ASP A 41 1.444 11.004 -4.937 1.00 0.00 C ATOM 631 C ASP A 41 1.937 10.732 -6.362 1.00 0.00 C ATOM 632 O ASP A 41 2.671 11.515 -6.935 1.00 0.00 O ATOM 633 CB ASP A 41 1.106 12.485 -4.766 1.00 0.00 C ATOM 634 CG ASP A 41 -0.396 12.694 -4.971 1.00 0.00 C ATOM 635 OD1 ASP A 41 -0.953 12.032 -5.831 1.00 0.00 O ATOM 636 OD2 ASP A 41 -0.961 13.513 -4.266 1.00 0.00 O ATOM 0 H ASP A 41 3.456 10.618 -4.315 1.00 0.00 H new ATOM 0 HA ASP A 41 0.580 10.358 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.398 12.823 -3.772 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.668 13.082 -5.484 1.00 0.00 H new ATOM 641 N GLY A 42 1.524 9.632 -6.939 1.00 0.00 N ATOM 642 CA GLY A 42 1.943 9.297 -8.333 1.00 0.00 C ATOM 643 C GLY A 42 1.028 8.203 -8.888 1.00 0.00 C ATOM 644 O GLY A 42 -0.127 8.445 -9.188 1.00 0.00 O ATOM 0 H GLY A 42 0.909 8.946 -6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.891 10.185 -8.964 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.979 8.959 -8.342 1.00 0.00 H new ATOM 648 N GLU A 43 1.532 7.002 -9.024 1.00 0.00 N ATOM 649 CA GLU A 43 0.689 5.883 -9.561 1.00 0.00 C ATOM 650 C GLU A 43 0.444 4.828 -8.473 1.00 0.00 C ATOM 651 O GLU A 43 0.971 4.923 -7.389 1.00 0.00 O ATOM 652 CB GLU A 43 1.505 5.288 -10.712 1.00 0.00 C ATOM 653 CG GLU A 43 0.577 4.946 -11.879 1.00 0.00 C ATOM 654 CD GLU A 43 0.019 6.237 -12.483 1.00 0.00 C ATOM 655 OE1 GLU A 43 0.758 6.906 -13.187 1.00 0.00 O ATOM 656 OE2 GLU A 43 -1.138 6.534 -12.231 1.00 0.00 O ATOM 0 H GLU A 43 2.490 6.745 -8.787 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.291 6.229 -9.891 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.266 5.998 -11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.027 4.392 -10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.121 4.383 -12.637 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.239 4.311 -11.534 1.00 0.00 H new ATOM 663 N TRP A 44 -0.354 3.827 -8.766 1.00 0.00 N ATOM 664 CA TRP A 44 -0.647 2.751 -7.758 1.00 0.00 C ATOM 665 C TRP A 44 -0.984 1.447 -8.476 1.00 0.00 C ATOM 666 O TRP A 44 -1.825 1.413 -9.355 1.00 0.00 O ATOM 667 CB TRP A 44 -1.871 3.242 -6.982 1.00 0.00 C ATOM 668 CG TRP A 44 -1.435 4.104 -5.852 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.248 5.442 -5.906 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.133 3.702 -4.493 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.839 5.885 -4.663 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.753 4.847 -3.756 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.151 2.462 -3.839 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.399 4.765 -2.413 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.795 2.374 -2.484 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.419 3.525 -1.774 1.00 0.00 C ATOM 0 H TRP A 44 -0.819 3.707 -9.666 1.00 0.00 H new ATOM 0 HA TRP A 44 0.205 2.563 -7.104 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.533 3.800 -7.644 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.440 2.392 -6.605 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.394 6.063 -6.778 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.627 6.858 -4.442 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.439 1.572 -4.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.111 5.653 -1.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.810 1.416 -1.985 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.145 3.451 -0.732 1.00 0.00 H new ATOM 687 N THR A 45 -0.338 0.373 -8.105 1.00 0.00 N ATOM 688 CA THR A 45 -0.627 -0.938 -8.766 1.00 0.00 C ATOM 689 C THR A 45 -0.558 -2.050 -7.732 1.00 0.00 C ATOM 690 O THR A 45 0.368 -2.118 -6.951 1.00 0.00 O ATOM 691 CB THR A 45 0.459 -1.150 -9.836 1.00 0.00 C ATOM 692 OG1 THR A 45 1.666 -1.570 -9.217 1.00 0.00 O ATOM 693 CG2 THR A 45 0.710 0.146 -10.606 1.00 0.00 C ATOM 0 H THR A 45 0.375 0.345 -7.376 1.00 0.00 H new ATOM 0 HA THR A 45 -1.620 -0.945 -9.215 1.00 0.00 H new ATOM 0 HB THR A 45 0.116 -1.916 -10.532 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.540 -1.606 -8.246 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.481 -0.021 -11.359 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.211 0.463 -11.094 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.040 0.922 -9.915 1.00 0.00 H new ATOM 701 N TYR A 46 -1.525 -2.924 -7.732 1.00 0.00 N ATOM 702 CA TYR A 46 -1.519 -4.048 -6.753 1.00 0.00 C ATOM 703 C TYR A 46 -0.947 -5.308 -7.417 1.00 0.00 C ATOM 704 O TYR A 46 -1.300 -5.649 -8.531 1.00 0.00 O ATOM 705 CB TYR A 46 -2.990 -4.241 -6.349 1.00 0.00 C ATOM 706 CG TYR A 46 -3.135 -5.514 -5.538 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.385 -5.685 -4.372 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.004 -6.526 -5.966 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.499 -6.865 -3.629 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.120 -7.707 -5.222 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.368 -7.877 -4.054 1.00 0.00 C ATOM 712 OH TYR A 46 -3.480 -9.041 -3.322 1.00 0.00 O ATOM 0 H TYR A 46 -2.321 -2.909 -8.369 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.898 -3.845 -5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.332 -3.386 -5.766 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.618 -4.292 -7.239 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.715 -4.904 -4.043 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.583 -6.396 -6.868 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.917 -6.995 -2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.791 -8.487 -5.550 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.126 -9.638 -3.754 1.00 0.00 H new ATOM 722 N ASP A 47 -0.077 -6.002 -6.731 1.00 0.00 N ATOM 723 CA ASP A 47 0.513 -7.248 -7.303 1.00 0.00 C ATOM 724 C ASP A 47 -0.153 -8.465 -6.661 1.00 0.00 C ATOM 725 O ASP A 47 0.193 -8.866 -5.564 1.00 0.00 O ATOM 726 CB ASP A 47 2.002 -7.200 -6.948 1.00 0.00 C ATOM 727 CG ASP A 47 2.633 -5.930 -7.523 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.362 -5.626 -8.674 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.376 -5.283 -6.804 1.00 0.00 O ATOM 0 H ASP A 47 0.251 -5.759 -5.796 1.00 0.00 H new ATOM 0 HA ASP A 47 0.366 -7.321 -8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.128 -7.221 -5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.508 -8.080 -7.345 1.00 0.00 H new ATOM 734 N ASP A 48 -1.110 -9.051 -7.337 1.00 0.00 N ATOM 735 CA ASP A 48 -1.816 -10.246 -6.775 1.00 0.00 C ATOM 736 C ASP A 48 -0.898 -11.479 -6.732 1.00 0.00 C ATOM 737 O ASP A 48 -1.265 -12.509 -6.196 1.00 0.00 O ATOM 738 CB ASP A 48 -3.004 -10.490 -7.714 1.00 0.00 C ATOM 739 CG ASP A 48 -2.500 -10.746 -9.139 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.052 -9.801 -9.766 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.572 -11.883 -9.576 1.00 0.00 O ATOM 0 H ASP A 48 -1.434 -8.753 -8.257 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.131 -10.071 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.584 -11.344 -7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.670 -9.627 -7.704 1.00 0.00 H new ATOM 746 N ALA A 49 0.289 -11.384 -7.279 1.00 0.00 N ATOM 747 CA ALA A 49 1.227 -12.545 -7.259 1.00 0.00 C ATOM 748 C ALA A 49 2.139 -12.444 -6.036 1.00 0.00 C ATOM 749 O ALA A 49 2.607 -13.439 -5.516 1.00 0.00 O ATOM 750 CB ALA A 49 2.037 -12.425 -8.549 1.00 0.00 C ATOM 0 H ALA A 49 0.648 -10.548 -7.740 1.00 0.00 H new ATOM 0 HA ALA A 49 0.710 -13.503 -7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.752 -13.246 -8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.365 -12.467 -9.406 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.573 -11.476 -8.555 1.00 0.00 H new ATOM 756 N THR A 50 2.382 -11.244 -5.565 1.00 0.00 N ATOM 757 CA THR A 50 3.246 -11.066 -4.365 1.00 0.00 C ATOM 758 C THR A 50 2.485 -10.296 -3.275 1.00 0.00 C ATOM 759 O THR A 50 3.043 -9.947 -2.253 1.00 0.00 O ATOM 760 CB THR A 50 4.445 -10.254 -4.858 1.00 0.00 C ATOM 761 OG1 THR A 50 3.991 -9.024 -5.404 1.00 0.00 O ATOM 762 CG2 THR A 50 5.192 -11.047 -5.931 1.00 0.00 C ATOM 0 H THR A 50 2.016 -10.380 -5.965 1.00 0.00 H new ATOM 0 HA THR A 50 3.550 -12.017 -3.929 1.00 0.00 H new ATOM 0 HB THR A 50 5.117 -10.054 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.759 -8.502 -5.718 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.046 -10.468 -6.282 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.541 -11.990 -5.510 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.522 -11.249 -6.767 1.00 0.00 H new ATOM 770 N LYS A 51 1.210 -10.025 -3.484 1.00 0.00 N ATOM 771 CA LYS A 51 0.409 -9.272 -2.462 1.00 0.00 C ATOM 772 C LYS A 51 1.098 -7.947 -2.123 1.00 0.00 C ATOM 773 O LYS A 51 1.086 -7.501 -0.992 1.00 0.00 O ATOM 774 CB LYS A 51 0.345 -10.180 -1.225 1.00 0.00 C ATOM 775 CG LYS A 51 -0.262 -11.536 -1.601 1.00 0.00 C ATOM 776 CD LYS A 51 -1.764 -11.379 -1.842 1.00 0.00 C ATOM 777 CE LYS A 51 -2.249 -12.488 -2.778 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.711 -12.596 -2.519 1.00 0.00 N ATOM 0 H LYS A 51 0.693 -10.295 -4.321 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.589 -9.031 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.345 -10.321 -0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.254 -9.707 -0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.221 -11.926 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.085 -12.258 -0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.302 -11.426 -0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.973 -10.402 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.050 -12.240 -3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.741 -13.430 -2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.117 -13.338 -3.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.870 -12.839 -1.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.169 -11.687 -2.731 1.00 0.00 H new ATOM 792 N THR A 52 1.703 -7.324 -3.101 1.00 0.00 N ATOM 793 CA THR A 52 2.404 -6.026 -2.846 1.00 0.00 C ATOM 794 C THR A 52 1.902 -4.948 -3.814 1.00 0.00 C ATOM 795 O THR A 52 1.667 -5.211 -4.978 1.00 0.00 O ATOM 796 CB THR A 52 3.885 -6.325 -3.091 1.00 0.00 C ATOM 797 OG1 THR A 52 4.248 -7.507 -2.391 1.00 0.00 O ATOM 798 CG2 THR A 52 4.735 -5.155 -2.591 1.00 0.00 C ATOM 0 H THR A 52 1.743 -7.656 -4.065 1.00 0.00 H new ATOM 0 HA THR A 52 2.224 -5.650 -1.839 1.00 0.00 H new ATOM 0 HB THR A 52 4.056 -6.465 -4.158 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.141 -8.282 -2.981 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.789 -5.370 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.456 -4.248 -3.126 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.566 -5.013 -1.524 1.00 0.00 H new ATOM 806 N PHE A 53 1.736 -3.737 -3.337 1.00 0.00 N ATOM 807 CA PHE A 53 1.248 -2.641 -4.229 1.00 0.00 C ATOM 808 C PHE A 53 2.443 -1.879 -4.828 1.00 0.00 C ATOM 809 O PHE A 53 3.572 -2.318 -4.712 1.00 0.00 O ATOM 810 CB PHE A 53 0.404 -1.742 -3.322 1.00 0.00 C ATOM 811 CG PHE A 53 -0.881 -2.454 -2.956 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.879 -3.435 -1.953 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.077 -2.136 -3.616 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.069 -4.093 -1.612 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.263 -2.795 -3.272 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.259 -3.771 -2.271 1.00 0.00 C ATOM 0 H PHE A 53 1.917 -3.462 -2.372 1.00 0.00 H new ATOM 0 HA PHE A 53 0.666 -3.010 -5.073 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.962 -1.491 -2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.180 -0.804 -3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.040 -3.683 -1.443 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.083 -1.383 -4.390 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.066 -4.849 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.183 -2.549 -3.781 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.176 -4.277 -2.007 1.00 0.00 H new ATOM 826 N THR A 54 2.216 -0.745 -5.463 1.00 0.00 N ATOM 827 CA THR A 54 3.349 0.022 -6.054 1.00 0.00 C ATOM 828 C THR A 54 2.919 1.471 -6.174 1.00 0.00 C ATOM 829 O THR A 54 2.276 1.861 -7.130 1.00 0.00 O ATOM 830 CB THR A 54 3.602 -0.583 -7.439 1.00 0.00 C ATOM 831 OG1 THR A 54 3.332 -1.979 -7.416 1.00 0.00 O ATOM 832 CG2 THR A 54 5.063 -0.355 -7.831 1.00 0.00 C ATOM 0 H THR A 54 1.295 -0.326 -5.593 1.00 0.00 H new ATOM 0 HA THR A 54 4.255 -0.026 -5.450 1.00 0.00 H new ATOM 0 HB THR A 54 2.945 -0.104 -8.165 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.099 -2.282 -8.318 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.247 -0.784 -8.816 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.270 0.715 -7.857 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.715 -0.833 -7.100 1.00 0.00 H new ATOM 840 N VAL A 55 3.248 2.261 -5.196 1.00 0.00 N ATOM 841 CA VAL A 55 2.833 3.693 -5.224 1.00 0.00 C ATOM 842 C VAL A 55 3.952 4.579 -5.783 1.00 0.00 C ATOM 843 O VAL A 55 4.881 4.950 -5.095 1.00 0.00 O ATOM 844 CB VAL A 55 2.447 4.071 -3.774 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.537 3.668 -2.778 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.208 5.582 -3.671 1.00 0.00 C ATOM 0 H VAL A 55 3.787 1.980 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 55 1.982 3.848 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 55 1.534 3.530 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.231 3.949 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.690 2.590 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.467 4.178 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.937 5.839 -2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.118 6.114 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.399 5.869 -4.343 1.00 0.00 H new ATOM 856 N THR A 56 3.833 4.935 -7.033 1.00 0.00 N ATOM 857 CA THR A 56 4.844 5.820 -7.673 1.00 0.00 C ATOM 858 C THR A 56 4.535 7.272 -7.269 1.00 0.00 C ATOM 859 O THR A 56 3.494 7.550 -6.702 1.00 0.00 O ATOM 860 CB THR A 56 4.660 5.566 -9.190 1.00 0.00 C ATOM 861 OG1 THR A 56 5.427 4.432 -9.567 1.00 0.00 O ATOM 862 CG2 THR A 56 5.105 6.771 -10.031 1.00 0.00 C ATOM 0 H THR A 56 3.069 4.646 -7.644 1.00 0.00 H new ATOM 0 HA THR A 56 5.875 5.629 -7.377 1.00 0.00 H new ATOM 0 HB THR A 56 3.599 5.398 -9.376 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.457 4.368 -10.544 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.959 6.550 -11.088 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.513 7.644 -9.757 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.159 6.975 -9.845 1.00 0.00 H new ATOM 870 N GLU A 57 5.426 8.187 -7.551 1.00 0.00 N ATOM 871 CA GLU A 57 5.181 9.614 -7.182 1.00 0.00 C ATOM 872 C GLU A 57 5.430 10.522 -8.389 1.00 0.00 C ATOM 873 O GLU A 57 6.582 10.822 -8.652 1.00 0.00 O ATOM 874 CB GLU A 57 6.184 9.913 -6.068 1.00 0.00 C ATOM 875 CG GLU A 57 5.923 11.312 -5.505 1.00 0.00 C ATOM 876 CD GLU A 57 6.611 11.453 -4.147 1.00 0.00 C ATOM 877 OE1 GLU A 57 6.386 10.604 -3.300 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.353 12.406 -3.976 1.00 0.00 O ATOM 879 OXT GLU A 57 4.463 10.903 -9.029 1.00 0.00 O ATOM 0 H GLU A 57 6.313 8.008 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 57 4.154 9.788 -6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.096 9.169 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.201 9.849 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.298 12.069 -6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.851 11.479 -5.400 1.00 0.00 H new