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 50 THR OG1 : rot 180:sc= 0.849 USER MOD Set 1.2: A 52 THR OG1 : rot 108:sc= 0.841 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= -0.546 USER MOD Set 2.2: A 54 THR OG1 : rot 118:sc= 0.401 USER MOD Single : A 2 THR OG1 : rot 26:sc= 0.301 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -3.97! C(o=-4!,f=-7.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 44:sc= 0.187 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 32:sc= 0.883 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=-0.00188 X(o=-0.0019,f=-0.33) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0607 X(o=-0.061,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -172:sc= -1.23 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.121 -12.076 5.856 1.00 0.00 N ATOM 21 CA THR A 2 -2.486 -11.055 4.829 1.00 0.00 C ATOM 22 C THR A 2 -1.562 -9.839 4.934 1.00 0.00 C ATOM 23 O THR A 2 -1.950 -8.729 4.622 1.00 0.00 O ATOM 24 CB THR A 2 -3.928 -10.661 5.156 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.737 -11.828 5.197 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.457 -9.708 4.082 1.00 0.00 C ATOM 0 HA THR A 2 -2.387 -11.440 3.814 1.00 0.00 H new ATOM 0 HB THR A 2 -3.958 -10.163 6.125 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.182 -12.603 5.427 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.484 -9.429 4.317 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.836 -8.813 4.052 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.429 -10.202 3.111 1.00 0.00 H new ATOM 34 N THR A 3 -0.342 -10.040 5.369 1.00 0.00 N ATOM 35 CA THR A 3 0.610 -8.892 5.491 1.00 0.00 C ATOM 36 C THR A 3 0.867 -8.279 4.113 1.00 0.00 C ATOM 37 O THR A 3 1.801 -8.646 3.424 1.00 0.00 O ATOM 38 CB THR A 3 1.899 -9.487 6.061 1.00 0.00 C ATOM 39 OG1 THR A 3 1.586 -10.304 7.181 1.00 0.00 O ATOM 40 CG2 THR A 3 2.834 -8.356 6.496 1.00 0.00 C ATOM 0 H THR A 3 0.035 -10.947 5.644 1.00 0.00 H new ATOM 0 HA THR A 3 0.218 -8.101 6.130 1.00 0.00 H new ATOM 0 HB THR A 3 2.392 -10.090 5.298 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.410 -10.688 7.547 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.753 -8.779 6.902 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.072 -7.730 5.636 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.344 -7.752 7.260 1.00 0.00 H new ATOM 48 N PHE A 4 0.042 -7.348 3.713 1.00 0.00 N ATOM 49 CA PHE A 4 0.223 -6.701 2.379 1.00 0.00 C ATOM 50 C PHE A 4 1.432 -5.765 2.405 1.00 0.00 C ATOM 51 O PHE A 4 1.543 -4.909 3.262 1.00 0.00 O ATOM 52 CB PHE A 4 -1.059 -5.901 2.146 1.00 0.00 C ATOM 53 CG PHE A 4 -2.092 -6.784 1.490 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.910 -7.213 0.171 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.232 -7.176 2.202 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.866 -8.034 -0.436 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.189 -7.997 1.594 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.005 -8.426 0.274 1.00 0.00 C ATOM 0 H PHE A 4 -0.752 -7.006 4.254 1.00 0.00 H new ATOM 0 HA PHE A 4 0.399 -7.432 1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.440 -5.520 3.094 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.851 -5.036 1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.031 -6.910 -0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.373 -6.845 3.220 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.724 -8.365 -1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.069 -8.299 2.143 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.743 -9.060 -0.196 1.00 0.00 H new ATOM 68 N LYS A 5 2.331 -5.916 1.468 1.00 0.00 N ATOM 69 CA LYS A 5 3.531 -5.031 1.426 1.00 0.00 C ATOM 70 C LYS A 5 3.271 -3.863 0.470 1.00 0.00 C ATOM 71 O LYS A 5 2.277 -3.844 -0.232 1.00 0.00 O ATOM 72 CB LYS A 5 4.667 -5.914 0.902 1.00 0.00 C ATOM 73 CG LYS A 5 4.880 -7.107 1.845 1.00 0.00 C ATOM 74 CD LYS A 5 4.385 -8.394 1.178 1.00 0.00 C ATOM 75 CE LYS A 5 5.041 -9.607 1.845 1.00 0.00 C ATOM 76 NZ LYS A 5 5.471 -10.484 0.719 1.00 0.00 N ATOM 0 H LYS A 5 2.285 -6.617 0.728 1.00 0.00 H new ATOM 0 HA LYS A 5 3.772 -4.608 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.430 -6.270 -0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.585 -5.332 0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.937 -7.200 2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.345 -6.943 2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.300 -8.464 1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.623 -8.379 0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.891 -9.308 2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.340 -10.123 2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.930 -11.337 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.641 -10.759 0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.143 -9.969 0.115 1.00 0.00 H new ATOM 90 N LEU A 6 4.150 -2.893 0.436 1.00 0.00 N ATOM 91 CA LEU A 6 3.945 -1.732 -0.478 1.00 0.00 C ATOM 92 C LEU A 6 5.295 -1.158 -0.903 1.00 0.00 C ATOM 93 O LEU A 6 5.960 -0.496 -0.134 1.00 0.00 O ATOM 94 CB LEU A 6 3.155 -0.708 0.350 1.00 0.00 C ATOM 95 CG LEU A 6 2.911 0.569 -0.471 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.538 0.495 -1.147 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.961 1.789 0.458 1.00 0.00 C ATOM 0 H LEU A 6 4.998 -2.856 1.001 1.00 0.00 H new ATOM 0 HA LEU A 6 3.416 -2.008 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.202 -1.138 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.704 -0.464 1.259 1.00 0.00 H new ATOM 0 HG LEU A 6 3.683 0.661 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.369 1.402 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.504 -0.371 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.763 0.401 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.788 2.695 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.190 1.696 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.940 1.844 0.934 1.00 0.00 H new ATOM 109 N ILE A 7 5.688 -1.389 -2.129 1.00 0.00 N ATOM 110 CA ILE A 7 6.983 -0.839 -2.618 1.00 0.00 C ATOM 111 C ILE A 7 6.724 0.533 -3.235 1.00 0.00 C ATOM 112 O ILE A 7 5.923 0.664 -4.146 1.00 0.00 O ATOM 113 CB ILE A 7 7.468 -1.832 -3.677 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.726 -3.190 -3.017 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.764 -1.323 -4.315 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.961 -4.246 -4.097 1.00 0.00 C ATOM 0 H ILE A 7 5.165 -1.936 -2.813 1.00 0.00 H new ATOM 0 HA ILE A 7 7.725 -0.717 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 7 6.705 -1.935 -4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.593 -3.128 -2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.875 -3.472 -2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.103 -2.035 -5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.583 -0.356 -4.785 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.530 -1.215 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.145 -5.212 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.081 -4.315 -4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.825 -3.965 -4.699 1.00 0.00 H new ATOM 128 N ILE A 8 7.375 1.559 -2.749 1.00 0.00 N ATOM 129 CA ILE A 8 7.127 2.908 -3.327 1.00 0.00 C ATOM 130 C ILE A 8 8.198 3.202 -4.383 1.00 0.00 C ATOM 131 O ILE A 8 9.381 3.144 -4.101 1.00 0.00 O ATOM 132 CB ILE A 8 7.209 3.938 -2.185 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.133 3.681 -1.122 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.939 5.329 -2.762 1.00 0.00 C ATOM 135 CD1 ILE A 8 6.444 2.418 -0.340 1.00 0.00 C ATOM 0 H ILE A 8 8.056 1.521 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 8 6.145 2.957 -3.798 1.00 0.00 H new ATOM 0 HB ILE A 8 8.198 3.861 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.076 4.531 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.158 3.588 -1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.994 6.070 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.685 5.558 -3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.946 5.350 -3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.669 2.254 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.477 1.567 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.410 2.525 0.154 1.00 0.00 H new ATOM 147 N ASN A 9 7.802 3.509 -5.593 1.00 0.00 N ATOM 148 CA ASN A 9 8.818 3.797 -6.658 1.00 0.00 C ATOM 149 C ASN A 9 9.341 5.225 -6.515 1.00 0.00 C ATOM 150 O ASN A 9 10.471 5.524 -6.854 1.00 0.00 O ATOM 151 CB ASN A 9 8.120 3.640 -8.026 1.00 0.00 C ATOM 152 CG ASN A 9 7.131 2.465 -8.028 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.417 1.413 -7.492 1.00 0.00 O ATOM 154 ND2 ASN A 9 5.972 2.606 -8.618 1.00 0.00 N ATOM 0 H ASN A 9 6.828 3.573 -5.890 1.00 0.00 H new ATOM 0 HA ASN A 9 9.660 3.111 -6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.591 4.561 -8.273 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.870 3.486 -8.802 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.307 1.832 -8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.733 3.490 -9.068 1.00 0.00 H new ATOM 161 N GLY A 10 8.518 6.103 -6.022 1.00 0.00 N ATOM 162 CA GLY A 10 8.936 7.526 -5.850 1.00 0.00 C ATOM 163 C GLY A 10 10.085 7.605 -4.849 1.00 0.00 C ATOM 164 O GLY A 10 10.180 6.805 -3.939 1.00 0.00 O ATOM 0 H GLY A 10 7.564 5.897 -5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.246 7.943 -6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.094 8.123 -5.500 1.00 0.00 H new ATOM 168 N LYS A 11 10.958 8.568 -5.009 1.00 0.00 N ATOM 169 CA LYS A 11 12.111 8.709 -4.065 1.00 0.00 C ATOM 170 C LYS A 11 11.611 8.901 -2.626 1.00 0.00 C ATOM 171 O LYS A 11 12.337 8.674 -1.677 1.00 0.00 O ATOM 172 CB LYS A 11 12.884 9.946 -4.540 1.00 0.00 C ATOM 173 CG LYS A 11 11.963 11.173 -4.552 1.00 0.00 C ATOM 174 CD LYS A 11 12.761 12.417 -4.148 1.00 0.00 C ATOM 175 CE LYS A 11 12.287 13.619 -4.969 1.00 0.00 C ATOM 176 NZ LYS A 11 13.430 14.575 -4.944 1.00 0.00 N ATOM 0 H LYS A 11 10.923 9.264 -5.754 1.00 0.00 H new ATOM 0 HA LYS A 11 12.740 7.819 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.735 10.127 -3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.284 9.773 -5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.535 11.310 -5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.131 11.023 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.630 12.616 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.825 12.248 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.038 13.327 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.390 14.064 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.182 15.427 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.640 14.840 -3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.267 14.126 -5.368 1.00 0.00 H new ATOM 190 N THR A 12 10.379 9.317 -2.461 1.00 0.00 N ATOM 191 CA THR A 12 9.831 9.525 -1.084 1.00 0.00 C ATOM 192 C THR A 12 9.741 8.199 -0.338 1.00 0.00 C ATOM 193 O THR A 12 9.008 7.316 -0.722 1.00 0.00 O ATOM 194 CB THR A 12 8.437 10.124 -1.286 1.00 0.00 C ATOM 195 OG1 THR A 12 7.775 9.434 -2.337 1.00 0.00 O ATOM 196 CG2 THR A 12 8.562 11.606 -1.643 1.00 0.00 C ATOM 0 H THR A 12 9.729 9.522 -3.220 1.00 0.00 H new ATOM 0 HA THR A 12 10.469 10.178 -0.489 1.00 0.00 H new ATOM 0 HB THR A 12 7.861 10.023 -0.366 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.913 8.469 -2.233 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.568 12.031 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.069 12.133 -0.835 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.138 11.711 -2.562 1.00 0.00 H new ATOM 204 N LEU A 13 10.482 8.070 0.736 1.00 0.00 N ATOM 205 CA LEU A 13 10.477 6.822 1.571 1.00 0.00 C ATOM 206 C LEU A 13 11.051 5.600 0.803 1.00 0.00 C ATOM 207 O LEU A 13 11.969 4.968 1.283 1.00 0.00 O ATOM 208 CB LEU A 13 9.009 6.670 2.082 1.00 0.00 C ATOM 209 CG LEU A 13 8.220 5.540 1.405 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.692 4.181 1.931 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.735 5.720 1.730 1.00 0.00 C ATOM 0 H LEU A 13 11.109 8.798 1.080 1.00 0.00 H new ATOM 0 HA LEU A 13 11.148 6.885 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.027 6.491 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.482 7.611 1.924 1.00 0.00 H new ATOM 0 HG LEU A 13 8.380 5.576 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.126 3.386 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.753 4.056 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.533 4.133 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.160 4.925 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.591 5.678 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.395 6.686 1.356 1.00 0.00 H new ATOM 223 N LYS A 14 10.551 5.276 -0.374 1.00 0.00 N ATOM 224 CA LYS A 14 11.093 4.110 -1.161 1.00 0.00 C ATOM 225 C LYS A 14 11.339 2.867 -0.287 1.00 0.00 C ATOM 226 O LYS A 14 12.384 2.734 0.324 1.00 0.00 O ATOM 227 CB LYS A 14 12.420 4.610 -1.735 1.00 0.00 C ATOM 228 CG LYS A 14 12.203 5.140 -3.157 1.00 0.00 C ATOM 229 CD LYS A 14 13.345 4.674 -4.066 1.00 0.00 C ATOM 230 CE LYS A 14 14.613 5.468 -3.744 1.00 0.00 C ATOM 231 NZ LYS A 14 15.644 4.939 -4.680 1.00 0.00 N ATOM 0 H LYS A 14 9.784 5.774 -0.827 1.00 0.00 H new ATOM 0 HA LYS A 14 10.380 3.797 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.827 5.398 -1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.150 3.801 -1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.249 4.784 -3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.157 6.229 -3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.525 3.608 -3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.071 4.814 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.458 6.537 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.913 5.329 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.544 5.435 -4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.775 3.921 -4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.333 5.092 -5.661 1.00 0.00 H new ATOM 245 N GLY A 15 10.401 1.950 -0.235 1.00 0.00 N ATOM 246 CA GLY A 15 10.613 0.720 0.590 1.00 0.00 C ATOM 247 C GLY A 15 9.291 -0.016 0.811 1.00 0.00 C ATOM 248 O GLY A 15 8.300 0.250 0.156 1.00 0.00 O ATOM 0 H GLY A 15 9.507 2.000 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.324 0.060 0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.049 0.991 1.551 1.00 0.00 H new ATOM 252 N GLU A 16 9.282 -0.948 1.735 1.00 0.00 N ATOM 253 CA GLU A 16 8.047 -1.732 2.034 1.00 0.00 C ATOM 254 C GLU A 16 7.739 -1.663 3.532 1.00 0.00 C ATOM 255 O GLU A 16 8.628 -1.479 4.344 1.00 0.00 O ATOM 256 CB GLU A 16 8.386 -3.165 1.627 1.00 0.00 C ATOM 257 CG GLU A 16 8.554 -3.240 0.110 1.00 0.00 C ATOM 258 CD GLU A 16 9.531 -4.365 -0.241 1.00 0.00 C ATOM 259 OE1 GLU A 16 10.726 -4.136 -0.150 1.00 0.00 O ATOM 260 OE2 GLU A 16 9.068 -5.438 -0.593 1.00 0.00 O ATOM 0 H GLU A 16 10.092 -1.200 2.301 1.00 0.00 H new ATOM 0 HA GLU A 16 7.172 -1.353 1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.303 -3.487 2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.595 -3.842 1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.590 -3.420 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.925 -2.289 -0.273 1.00 0.00 H new ATOM 267 N ILE A 17 6.492 -1.802 3.905 1.00 0.00 N ATOM 268 CA ILE A 17 6.129 -1.739 5.356 1.00 0.00 C ATOM 269 C ILE A 17 5.457 -3.044 5.820 1.00 0.00 C ATOM 270 O ILE A 17 5.327 -3.276 7.003 1.00 0.00 O ATOM 271 CB ILE A 17 5.158 -0.560 5.477 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.834 0.722 4.978 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.750 -0.375 6.941 1.00 0.00 C ATOM 274 CD1 ILE A 17 5.516 0.930 3.495 1.00 0.00 C ATOM 0 H ILE A 17 5.709 -1.956 3.269 1.00 0.00 H new ATOM 0 HA ILE A 17 7.011 -1.611 5.983 1.00 0.00 H new ATOM 0 HB ILE A 17 4.274 -0.765 4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.486 1.577 5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.912 0.656 5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.059 0.464 7.023 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.263 -1.282 7.300 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.636 -0.176 7.543 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.998 1.842 3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.885 0.080 2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.437 1.016 3.363 1.00 0.00 H new ATOM 286 N THR A 18 5.028 -3.887 4.899 1.00 0.00 N ATOM 287 CA THR A 18 4.356 -5.186 5.266 1.00 0.00 C ATOM 288 C THR A 18 3.326 -5.000 6.394 1.00 0.00 C ATOM 289 O THR A 18 3.665 -5.003 7.562 1.00 0.00 O ATOM 290 CB THR A 18 5.485 -6.126 5.709 1.00 0.00 C ATOM 291 OG1 THR A 18 6.257 -5.512 6.730 1.00 0.00 O ATOM 292 CG2 THR A 18 6.387 -6.444 4.514 1.00 0.00 C ATOM 0 H THR A 18 5.116 -3.727 3.895 1.00 0.00 H new ATOM 0 HA THR A 18 3.799 -5.588 4.420 1.00 0.00 H new ATOM 0 HB THR A 18 5.048 -7.047 6.094 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.683 -4.925 7.265 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.188 -7.112 4.830 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.800 -6.927 3.733 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.816 -5.520 4.126 1.00 0.00 H new ATOM 300 N ILE A 19 2.072 -4.849 6.045 1.00 0.00 N ATOM 301 CA ILE A 19 1.015 -4.666 7.091 1.00 0.00 C ATOM 302 C ILE A 19 -0.130 -5.663 6.883 1.00 0.00 C ATOM 303 O ILE A 19 -0.566 -5.898 5.772 1.00 0.00 O ATOM 304 CB ILE A 19 0.514 -3.220 6.932 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.117 -3.020 5.541 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.687 -2.251 7.103 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.646 -3.050 5.656 1.00 0.00 C ATOM 0 H ILE A 19 1.734 -4.844 5.083 1.00 0.00 H new ATOM 0 HA ILE A 19 1.407 -4.844 8.092 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.241 -3.024 7.693 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.207 -2.069 5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.221 -3.803 4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.332 -1.227 6.990 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.122 -2.377 8.094 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.443 -2.458 6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.088 -2.908 4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.962 -4.012 6.060 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.977 -2.251 6.320 1.00 0.00 H new ATOM 319 N GLU A 20 -0.623 -6.241 7.949 1.00 0.00 N ATOM 320 CA GLU A 20 -1.746 -7.217 7.827 1.00 0.00 C ATOM 321 C GLU A 20 -3.077 -6.469 7.720 1.00 0.00 C ATOM 322 O GLU A 20 -3.242 -5.401 8.281 1.00 0.00 O ATOM 323 CB GLU A 20 -1.696 -8.045 9.112 1.00 0.00 C ATOM 324 CG GLU A 20 -2.669 -9.220 9.000 1.00 0.00 C ATOM 325 CD GLU A 20 -2.788 -9.912 10.359 1.00 0.00 C ATOM 326 OE1 GLU A 20 -3.247 -9.273 11.290 1.00 0.00 O ATOM 327 OE2 GLU A 20 -2.417 -11.071 10.444 1.00 0.00 O ATOM 0 H GLU A 20 -0.295 -6.078 8.901 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.658 -7.843 6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.684 -8.412 9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.957 -7.423 9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.647 -8.867 8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.317 -9.927 8.249 1.00 0.00 H new ATOM 334 N ALA A 21 -4.023 -7.019 7.003 1.00 0.00 N ATOM 335 CA ALA A 21 -5.344 -6.340 6.853 1.00 0.00 C ATOM 336 C ALA A 21 -6.413 -7.346 6.422 1.00 0.00 C ATOM 337 O ALA A 21 -6.109 -8.447 6.003 1.00 0.00 O ATOM 338 CB ALA A 21 -5.125 -5.293 5.762 1.00 0.00 C ATOM 0 H ALA A 21 -3.937 -7.910 6.514 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.688 -5.895 7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.053 -4.747 5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.347 -4.597 6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.819 -5.787 4.840 1.00 0.00 H new ATOM 344 N VAL A 22 -7.663 -6.973 6.527 1.00 0.00 N ATOM 345 CA VAL A 22 -8.770 -7.896 6.130 1.00 0.00 C ATOM 346 C VAL A 22 -8.581 -8.376 4.681 1.00 0.00 C ATOM 347 O VAL A 22 -8.820 -9.526 4.363 1.00 0.00 O ATOM 348 CB VAL A 22 -10.056 -7.068 6.272 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.995 -5.846 5.348 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.266 -7.929 5.900 1.00 0.00 C ATOM 0 H VAL A 22 -7.967 -6.063 6.873 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.798 -8.792 6.750 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.151 -6.733 7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.910 -5.264 5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.138 -5.228 5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.893 -6.176 4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.177 -7.339 6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.167 -8.270 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.316 -8.792 6.564 1.00 0.00 H new ATOM 360 N ASP A 23 -8.153 -7.497 3.812 1.00 0.00 N ATOM 361 CA ASP A 23 -7.942 -7.884 2.385 1.00 0.00 C ATOM 362 C ASP A 23 -7.049 -6.848 1.700 1.00 0.00 C ATOM 363 O ASP A 23 -6.705 -5.837 2.285 1.00 0.00 O ATOM 364 CB ASP A 23 -9.338 -7.885 1.762 1.00 0.00 C ATOM 365 CG ASP A 23 -9.947 -9.283 1.873 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.587 -10.130 1.072 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.763 -9.483 2.758 1.00 0.00 O ATOM 0 H ASP A 23 -7.940 -6.524 4.030 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.454 -8.853 2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.974 -7.159 2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.281 -7.584 0.716 1.00 0.00 H new ATOM 372 N ALA A 24 -6.673 -7.085 0.467 1.00 0.00 N ATOM 373 CA ALA A 24 -5.802 -6.102 -0.248 1.00 0.00 C ATOM 374 C ALA A 24 -6.526 -4.760 -0.368 1.00 0.00 C ATOM 375 O ALA A 24 -5.913 -3.710 -0.346 1.00 0.00 O ATOM 376 CB ALA A 24 -5.546 -6.703 -1.630 1.00 0.00 C ATOM 0 H ALA A 24 -6.930 -7.912 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.867 -5.920 0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.912 -6.030 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.048 -7.667 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.495 -6.841 -2.148 1.00 0.00 H new ATOM 382 N ALA A 25 -7.833 -4.790 -0.487 1.00 0.00 N ATOM 383 CA ALA A 25 -8.614 -3.520 -0.598 1.00 0.00 C ATOM 384 C ALA A 25 -8.329 -2.630 0.615 1.00 0.00 C ATOM 385 O ALA A 25 -8.160 -1.431 0.494 1.00 0.00 O ATOM 386 CB ALA A 25 -10.084 -3.945 -0.618 1.00 0.00 C ATOM 0 H ALA A 25 -8.392 -5.643 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.351 -2.950 -1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.717 -3.061 -0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.262 -4.598 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.321 -4.479 0.302 1.00 0.00 H new ATOM 392 N GLU A 26 -8.261 -3.221 1.781 1.00 0.00 N ATOM 393 CA GLU A 26 -7.968 -2.430 3.011 1.00 0.00 C ATOM 394 C GLU A 26 -6.491 -2.036 3.017 1.00 0.00 C ATOM 395 O GLU A 26 -6.143 -0.906 3.302 1.00 0.00 O ATOM 396 CB GLU A 26 -8.287 -3.366 4.178 1.00 0.00 C ATOM 397 CG GLU A 26 -8.594 -2.539 5.429 1.00 0.00 C ATOM 398 CD GLU A 26 -9.918 -1.798 5.238 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.822 -2.380 4.661 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.006 -0.661 5.671 1.00 0.00 O ATOM 0 H GLU A 26 -8.396 -4.221 1.933 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.551 -1.511 3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.140 -3.997 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.443 -4.030 4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.651 -3.189 6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.790 -1.827 5.614 1.00 0.00 H new ATOM 407 N ALA A 27 -5.620 -2.960 2.685 1.00 0.00 N ATOM 408 CA ALA A 27 -4.156 -2.641 2.648 1.00 0.00 C ATOM 409 C ALA A 27 -3.913 -1.462 1.705 1.00 0.00 C ATOM 410 O ALA A 27 -3.216 -0.523 2.038 1.00 0.00 O ATOM 411 CB ALA A 27 -3.472 -3.897 2.107 1.00 0.00 C ATOM 0 H ALA A 27 -5.859 -3.920 2.438 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.771 -2.368 3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.396 -3.731 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.678 -4.737 2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.854 -4.119 1.111 1.00 0.00 H new ATOM 417 N GLU A 28 -4.509 -1.496 0.535 1.00 0.00 N ATOM 418 CA GLU A 28 -4.336 -0.367 -0.429 1.00 0.00 C ATOM 419 C GLU A 28 -4.817 0.930 0.222 1.00 0.00 C ATOM 420 O GLU A 28 -4.220 1.969 0.049 1.00 0.00 O ATOM 421 CB GLU A 28 -5.198 -0.720 -1.645 1.00 0.00 C ATOM 422 CG GLU A 28 -4.711 0.071 -2.866 1.00 0.00 C ATOM 423 CD GLU A 28 -5.884 0.318 -3.816 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.982 0.529 -3.328 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.665 0.290 -5.016 1.00 0.00 O ATOM 0 H GLU A 28 -5.106 -2.256 0.209 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.295 -0.223 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.141 -1.790 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.244 -0.489 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.280 1.021 -2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.924 -0.481 -3.379 1.00 0.00 H new ATOM 432 N LYS A 29 -5.878 0.865 0.993 1.00 0.00 N ATOM 433 CA LYS A 29 -6.380 2.094 1.682 1.00 0.00 C ATOM 434 C LYS A 29 -5.369 2.512 2.755 1.00 0.00 C ATOM 435 O LYS A 29 -4.908 3.641 2.789 1.00 0.00 O ATOM 436 CB LYS A 29 -7.709 1.688 2.324 1.00 0.00 C ATOM 437 CG LYS A 29 -8.714 1.310 1.232 1.00 0.00 C ATOM 438 CD LYS A 29 -9.605 2.514 0.911 1.00 0.00 C ATOM 439 CE LYS A 29 -9.078 3.226 -0.338 1.00 0.00 C ATOM 440 NZ LYS A 29 -9.581 4.624 -0.224 1.00 0.00 N ATOM 0 H LYS A 29 -6.415 0.017 1.173 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.511 2.935 1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.556 0.846 2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.101 2.510 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.186 0.987 0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.326 0.470 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.632 2.186 0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.620 3.203 1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.989 3.200 -0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.441 2.748 -1.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.261 5.176 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.621 4.618 -0.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.213 5.055 0.648 1.00 0.00 H new ATOM 454 N ILE A 30 -5.000 1.591 3.616 1.00 0.00 N ATOM 455 CA ILE A 30 -3.994 1.906 4.682 1.00 0.00 C ATOM 456 C ILE A 30 -2.714 2.420 4.020 1.00 0.00 C ATOM 457 O ILE A 30 -2.091 3.358 4.481 1.00 0.00 O ATOM 458 CB ILE A 30 -3.735 0.576 5.403 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.031 0.073 6.044 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.680 0.774 6.496 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.984 -1.452 6.164 1.00 0.00 C ATOM 0 H ILE A 30 -5.353 0.634 3.626 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.339 2.671 5.378 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.377 -0.155 4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.160 0.522 7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.888 0.375 5.442 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.500 -0.173 7.004 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.752 1.126 6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.036 1.510 7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.907 -1.810 6.620 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.875 -1.892 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.136 -1.742 6.785 1.00 0.00 H new ATOM 473 N PHE A 31 -2.341 1.814 2.924 1.00 0.00 N ATOM 474 CA PHE A 31 -1.122 2.259 2.194 1.00 0.00 C ATOM 475 C PHE A 31 -1.414 3.585 1.491 1.00 0.00 C ATOM 476 O PHE A 31 -0.566 4.450 1.394 1.00 0.00 O ATOM 477 CB PHE A 31 -0.839 1.152 1.173 1.00 0.00 C ATOM 478 CG PHE A 31 -0.025 0.060 1.821 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.168 0.374 2.479 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.462 -1.268 1.758 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.926 -0.637 3.076 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.296 -2.282 2.357 1.00 0.00 C ATOM 483 CZ PHE A 31 1.491 -1.966 3.016 1.00 0.00 C ATOM 0 H PHE A 31 -2.832 1.026 2.502 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.268 2.418 2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.776 0.744 0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.301 1.561 0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.504 1.399 2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.383 -1.511 1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.847 -0.393 3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.041 -3.307 2.311 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.076 -2.747 3.478 1.00 0.00 H new ATOM 493 N LYS A 32 -2.622 3.747 1.004 1.00 0.00 N ATOM 494 CA LYS A 32 -2.998 5.010 0.309 1.00 0.00 C ATOM 495 C LYS A 32 -3.247 6.148 1.308 1.00 0.00 C ATOM 496 O LYS A 32 -3.525 7.266 0.916 1.00 0.00 O ATOM 497 CB LYS A 32 -4.271 4.696 -0.469 1.00 0.00 C ATOM 498 CG LYS A 32 -3.900 3.999 -1.780 1.00 0.00 C ATOM 499 CD LYS A 32 -5.171 3.539 -2.494 1.00 0.00 C ATOM 500 CE LYS A 32 -4.901 3.447 -3.998 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.211 4.804 -4.528 1.00 0.00 N ATOM 0 H LYS A 32 -3.365 3.051 1.061 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.194 5.347 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.926 4.057 0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.822 5.614 -0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.338 4.680 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.254 3.144 -1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.487 2.569 -2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.984 4.239 -2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.865 3.172 -4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.528 2.688 -4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.050 4.821 -5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.205 5.035 -4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.595 5.505 -4.069 1.00 0.00 H new ATOM 515 N GLN A 33 -3.101 5.893 2.587 1.00 0.00 N ATOM 516 CA GLN A 33 -3.277 6.984 3.596 1.00 0.00 C ATOM 517 C GLN A 33 -1.882 7.274 4.120 1.00 0.00 C ATOM 518 O GLN A 33 -1.427 8.398 4.198 1.00 0.00 O ATOM 519 CB GLN A 33 -4.171 6.397 4.688 1.00 0.00 C ATOM 520 CG GLN A 33 -4.573 7.498 5.672 1.00 0.00 C ATOM 521 CD GLN A 33 -5.666 6.975 6.607 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.649 6.419 6.159 1.00 0.00 O ATOM 523 NE2 GLN A 33 -5.535 7.131 7.896 1.00 0.00 N ATOM 0 H GLN A 33 -2.868 4.979 2.974 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.726 7.900 3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.060 5.951 4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.644 5.601 5.214 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.706 7.817 6.251 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.932 8.372 5.129 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.710 7.598 8.272 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.258 6.786 8.528 1.00 0.00 H new ATOM 532 N TYR A 34 -1.189 6.211 4.404 1.00 0.00 N ATOM 533 CA TYR A 34 0.223 6.272 4.854 1.00 0.00 C ATOM 534 C TYR A 34 1.048 7.052 3.807 1.00 0.00 C ATOM 535 O TYR A 34 1.879 7.877 4.134 1.00 0.00 O ATOM 536 CB TYR A 34 0.584 4.777 4.877 1.00 0.00 C ATOM 537 CG TYR A 34 2.084 4.550 4.814 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.723 4.413 3.575 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.828 4.476 5.998 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.106 4.203 3.521 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.212 4.267 5.942 1.00 0.00 C ATOM 542 CZ TYR A 34 4.850 4.130 4.705 1.00 0.00 C ATOM 543 OH TYR A 34 6.214 3.923 4.651 1.00 0.00 O ATOM 0 H TYR A 34 -1.562 5.264 4.339 1.00 0.00 H new ATOM 0 HA TYR A 34 0.403 6.772 5.806 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.187 4.323 5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.106 4.276 4.035 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.149 4.469 2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.335 4.580 6.953 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.599 4.097 2.566 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.787 4.212 6.855 1.00 0.00 H new ATOM 0 HH TYR A 34 6.578 3.899 5.561 1.00 0.00 H new ATOM 553 N ALA A 35 0.794 6.785 2.550 1.00 0.00 N ATOM 554 CA ALA A 35 1.523 7.492 1.451 1.00 0.00 C ATOM 555 C ALA A 35 1.292 9.002 1.550 1.00 0.00 C ATOM 556 O ALA A 35 2.223 9.785 1.541 1.00 0.00 O ATOM 557 CB ALA A 35 0.909 6.949 0.155 1.00 0.00 C ATOM 0 H ALA A 35 0.106 6.101 2.235 1.00 0.00 H new ATOM 0 HA ALA A 35 2.599 7.326 1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.391 7.420 -0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.057 5.870 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.158 7.170 0.137 1.00 0.00 H new ATOM 563 N ASN A 36 0.052 9.411 1.648 1.00 0.00 N ATOM 564 CA ASN A 36 -0.259 10.871 1.749 1.00 0.00 C ATOM 565 C ASN A 36 0.397 11.470 2.993 1.00 0.00 C ATOM 566 O ASN A 36 1.010 12.519 2.940 1.00 0.00 O ATOM 567 CB ASN A 36 -1.778 10.951 1.869 1.00 0.00 C ATOM 568 CG ASN A 36 -2.405 10.948 0.474 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.036 11.908 0.078 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.256 9.904 -0.295 1.00 0.00 N ATOM 0 H ASN A 36 -0.761 8.795 1.662 1.00 0.00 H new ATOM 0 HA ASN A 36 0.115 11.426 0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.152 10.107 2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.063 11.856 2.405 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.669 9.894 -1.228 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.726 9.098 0.037 1.00 0.00 H new ATOM 577 N ASP A 37 0.267 10.808 4.114 1.00 0.00 N ATOM 578 CA ASP A 37 0.875 11.329 5.382 1.00 0.00 C ATOM 579 C ASP A 37 2.373 11.595 5.205 1.00 0.00 C ATOM 580 O ASP A 37 2.960 12.382 5.925 1.00 0.00 O ATOM 581 CB ASP A 37 0.646 10.230 6.420 1.00 0.00 C ATOM 582 CG ASP A 37 0.641 10.844 7.821 1.00 0.00 C ATOM 583 OD1 ASP A 37 -0.409 11.301 8.242 1.00 0.00 O ATOM 584 OD2 ASP A 37 1.686 10.846 8.450 1.00 0.00 O ATOM 0 H ASP A 37 -0.235 9.925 4.209 1.00 0.00 H new ATOM 0 HA ASP A 37 0.426 12.276 5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.302 9.726 6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.429 9.475 6.345 1.00 0.00 H new ATOM 589 N ASN A 38 2.988 10.946 4.258 1.00 0.00 N ATOM 590 CA ASN A 38 4.440 11.147 4.024 1.00 0.00 C ATOM 591 C ASN A 38 4.673 11.977 2.755 1.00 0.00 C ATOM 592 O ASN A 38 5.594 12.769 2.685 1.00 0.00 O ATOM 593 CB ASN A 38 5.018 9.742 3.865 1.00 0.00 C ATOM 594 CG ASN A 38 6.499 9.754 4.246 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.882 9.202 5.258 1.00 0.00 O ATOM 596 ND2 ASN A 38 7.354 10.366 3.472 1.00 0.00 N ATOM 0 H ASN A 38 2.540 10.278 3.630 1.00 0.00 H new ATOM 0 HA ASN A 38 4.913 11.690 4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.475 9.040 4.497 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.899 9.402 2.836 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.344 10.381 3.717 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.032 10.829 2.622 1.00 0.00 H new ATOM 603 N GLY A 39 3.842 11.803 1.757 1.00 0.00 N ATOM 604 CA GLY A 39 4.009 12.583 0.491 1.00 0.00 C ATOM 605 C GLY A 39 4.137 11.628 -0.700 1.00 0.00 C ATOM 606 O GLY A 39 4.892 11.872 -1.622 1.00 0.00 O ATOM 0 H GLY A 39 3.055 11.154 1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.155 13.245 0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.895 13.215 0.558 1.00 0.00 H new ATOM 610 N ILE A 40 3.401 10.546 -0.689 1.00 0.00 N ATOM 611 CA ILE A 40 3.465 9.569 -1.817 1.00 0.00 C ATOM 612 C ILE A 40 2.173 9.677 -2.636 1.00 0.00 C ATOM 613 O ILE A 40 1.111 9.274 -2.201 1.00 0.00 O ATOM 614 CB ILE A 40 3.632 8.204 -1.111 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.115 7.952 -0.872 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.067 7.034 -1.922 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.604 8.941 0.171 1.00 0.00 C ATOM 0 H ILE A 40 2.754 10.296 0.059 1.00 0.00 H new ATOM 0 HA ILE A 40 4.277 9.735 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 40 3.073 8.256 -0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.276 6.929 -0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.675 8.071 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.215 6.105 -1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.001 7.189 -2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.581 6.974 -2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.665 8.778 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.451 9.957 -0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.047 8.799 1.097 1.00 0.00 H new ATOM 629 N ASP A 41 2.268 10.236 -3.809 1.00 0.00 N ATOM 630 CA ASP A 41 1.050 10.393 -4.668 1.00 0.00 C ATOM 631 C ASP A 41 1.428 10.540 -6.149 1.00 0.00 C ATOM 632 O ASP A 41 1.880 11.583 -6.582 1.00 0.00 O ATOM 633 CB ASP A 41 0.380 11.670 -4.163 1.00 0.00 C ATOM 634 CG ASP A 41 -1.105 11.648 -4.530 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.416 11.226 -5.631 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.906 12.054 -3.704 1.00 0.00 O ATOM 0 H ASP A 41 3.133 10.592 -4.215 1.00 0.00 H new ATOM 0 HA ASP A 41 0.397 9.523 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.497 11.752 -3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.861 12.544 -4.603 1.00 0.00 H new ATOM 641 N GLY A 42 1.240 9.500 -6.925 1.00 0.00 N ATOM 642 CA GLY A 42 1.579 9.565 -8.378 1.00 0.00 C ATOM 643 C GLY A 42 1.076 8.301 -9.092 1.00 0.00 C ATOM 644 O GLY A 42 0.416 8.380 -10.111 1.00 0.00 O ATOM 0 H GLY A 42 0.864 8.605 -6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.127 10.450 -8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.658 9.659 -8.504 1.00 0.00 H new ATOM 648 N GLU A 43 1.390 7.140 -8.570 1.00 0.00 N ATOM 649 CA GLU A 43 0.939 5.866 -9.222 1.00 0.00 C ATOM 650 C GLU A 43 0.457 4.863 -8.170 1.00 0.00 C ATOM 651 O GLU A 43 0.688 5.040 -6.996 1.00 0.00 O ATOM 652 CB GLU A 43 2.181 5.325 -9.933 1.00 0.00 C ATOM 653 CG GLU A 43 1.777 4.188 -10.872 1.00 0.00 C ATOM 654 CD GLU A 43 2.761 4.117 -12.041 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.924 5.121 -12.714 1.00 0.00 O ATOM 656 OE2 GLU A 43 3.335 3.059 -12.243 1.00 0.00 O ATOM 0 H GLU A 43 1.940 7.018 -7.720 1.00 0.00 H new ATOM 0 HA GLU A 43 0.107 6.032 -9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.666 6.122 -10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.905 4.967 -9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.769 3.241 -10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.765 4.351 -11.244 1.00 0.00 H new ATOM 663 N TRP A 44 -0.203 3.808 -8.596 1.00 0.00 N ATOM 664 CA TRP A 44 -0.705 2.765 -7.637 1.00 0.00 C ATOM 665 C TRP A 44 -1.010 1.470 -8.390 1.00 0.00 C ATOM 666 O TRP A 44 -1.791 1.457 -9.322 1.00 0.00 O ATOM 667 CB TRP A 44 -2.006 3.321 -7.050 1.00 0.00 C ATOM 668 CG TRP A 44 -1.708 4.139 -5.848 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.673 5.491 -5.791 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.420 3.662 -4.518 1.00 0.00 C ATOM 671 NE1 TRP A 44 -1.348 5.869 -4.501 1.00 0.00 N ATOM 672 CE2 TRP A 44 -1.186 4.771 -3.677 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.333 2.374 -3.971 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.871 4.608 -2.333 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -1.019 2.205 -2.615 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.787 3.321 -1.798 1.00 0.00 C ATOM 0 H TRP A 44 -0.417 3.623 -9.576 1.00 0.00 H new ATOM 0 HA TRP A 44 0.033 2.548 -6.865 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.521 3.927 -7.795 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.676 2.502 -6.787 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.866 6.162 -6.615 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.241 6.836 -4.196 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.508 1.510 -4.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.693 5.470 -1.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.956 1.211 -2.198 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.543 3.185 -0.755 1.00 0.00 H new ATOM 687 N THR A 45 -0.411 0.380 -7.985 1.00 0.00 N ATOM 688 CA THR A 45 -0.678 -0.925 -8.671 1.00 0.00 C ATOM 689 C THR A 45 -0.603 -2.054 -7.654 1.00 0.00 C ATOM 690 O THR A 45 0.332 -2.136 -6.885 1.00 0.00 O ATOM 691 CB THR A 45 0.420 -1.111 -9.733 1.00 0.00 C ATOM 692 OG1 THR A 45 1.635 -1.490 -9.101 1.00 0.00 O ATOM 693 CG2 THR A 45 0.637 0.185 -10.514 1.00 0.00 C ATOM 0 H THR A 45 0.251 0.334 -7.210 1.00 0.00 H new ATOM 0 HA THR A 45 -1.667 -0.933 -9.129 1.00 0.00 H new ATOM 0 HB THR A 45 0.105 -1.891 -10.426 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.333 -1.609 -9.779 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.417 0.034 -11.260 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.290 0.470 -11.011 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.939 0.977 -9.828 1.00 0.00 H new ATOM 701 N TYR A 46 -1.572 -2.925 -7.656 1.00 0.00 N ATOM 702 CA TYR A 46 -1.555 -4.063 -6.690 1.00 0.00 C ATOM 703 C TYR A 46 -0.969 -5.311 -7.365 1.00 0.00 C ATOM 704 O TYR A 46 -1.348 -5.673 -8.463 1.00 0.00 O ATOM 705 CB TYR A 46 -3.022 -4.282 -6.282 1.00 0.00 C ATOM 706 CG TYR A 46 -3.149 -5.580 -5.506 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.375 -5.785 -4.357 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.014 -6.584 -5.956 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.469 -6.993 -3.657 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.109 -7.791 -5.252 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.337 -7.995 -4.106 1.00 0.00 C ATOM 712 OH TYR A 46 -3.434 -9.186 -3.417 1.00 0.00 O ATOM 0 H TYR A 46 -2.376 -2.900 -8.284 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.935 -3.858 -5.817 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.368 -3.447 -5.673 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.655 -4.314 -7.169 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.706 -5.011 -4.011 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.607 -6.428 -6.845 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.872 -7.152 -2.771 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.780 -8.565 -5.596 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.082 -9.770 -3.863 1.00 0.00 H new ATOM 722 N ASP A 47 -0.064 -5.975 -6.696 1.00 0.00 N ATOM 723 CA ASP A 47 0.538 -7.213 -7.266 1.00 0.00 C ATOM 724 C ASP A 47 -0.100 -8.432 -6.598 1.00 0.00 C ATOM 725 O ASP A 47 0.250 -8.796 -5.490 1.00 0.00 O ATOM 726 CB ASP A 47 2.028 -7.125 -6.934 1.00 0.00 C ATOM 727 CG ASP A 47 2.655 -5.963 -7.707 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.178 -4.850 -7.553 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.599 -6.204 -8.439 1.00 0.00 O ATOM 0 H ASP A 47 0.285 -5.711 -5.775 1.00 0.00 H new ATOM 0 HA ASP A 47 0.379 -7.308 -8.340 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.165 -6.979 -5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.525 -8.059 -7.194 1.00 0.00 H new ATOM 734 N ASP A 48 -1.041 -9.056 -7.263 1.00 0.00 N ATOM 735 CA ASP A 48 -1.728 -10.252 -6.674 1.00 0.00 C ATOM 736 C ASP A 48 -0.803 -11.479 -6.624 1.00 0.00 C ATOM 737 O ASP A 48 -1.183 -12.520 -6.121 1.00 0.00 O ATOM 738 CB ASP A 48 -2.918 -10.522 -7.597 1.00 0.00 C ATOM 739 CG ASP A 48 -3.768 -11.654 -7.017 1.00 0.00 C ATOM 740 OD1 ASP A 48 -4.119 -11.568 -5.852 1.00 0.00 O ATOM 741 OD2 ASP A 48 -4.053 -12.589 -7.748 1.00 0.00 O ATOM 0 H ASP A 48 -1.365 -8.789 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.029 -10.063 -5.644 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.520 -9.620 -7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.566 -10.791 -8.593 1.00 0.00 H new ATOM 746 N ALA A 49 0.403 -11.369 -7.125 1.00 0.00 N ATOM 747 CA ALA A 49 1.343 -12.526 -7.089 1.00 0.00 C ATOM 748 C ALA A 49 2.106 -12.515 -5.765 1.00 0.00 C ATOM 749 O ALA A 49 2.505 -13.546 -5.257 1.00 0.00 O ATOM 750 CB ALA A 49 2.296 -12.304 -8.263 1.00 0.00 C ATOM 0 H ALA A 49 0.775 -10.524 -7.558 1.00 0.00 H new ATOM 0 HA ALA A 49 0.833 -13.487 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.020 -13.118 -8.303 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.728 -12.278 -9.193 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.821 -11.358 -8.132 1.00 0.00 H new ATOM 756 N THR A 50 2.297 -11.350 -5.199 1.00 0.00 N ATOM 757 CA THR A 50 3.019 -11.250 -3.901 1.00 0.00 C ATOM 758 C THR A 50 2.319 -10.239 -2.989 1.00 0.00 C ATOM 759 O THR A 50 2.879 -9.792 -2.006 1.00 0.00 O ATOM 760 CB THR A 50 4.422 -10.765 -4.264 1.00 0.00 C ATOM 761 OG1 THR A 50 4.331 -9.521 -4.944 1.00 0.00 O ATOM 762 CG2 THR A 50 5.094 -11.796 -5.168 1.00 0.00 C ATOM 0 H THR A 50 1.981 -10.461 -5.585 1.00 0.00 H new ATOM 0 HA THR A 50 3.044 -12.199 -3.366 1.00 0.00 H new ATOM 0 HB THR A 50 5.012 -10.638 -3.357 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.230 -9.208 -5.176 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.095 -11.453 -5.429 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.162 -12.750 -4.645 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.505 -11.922 -6.077 1.00 0.00 H new ATOM 770 N LYS A 51 1.089 -9.879 -3.300 1.00 0.00 N ATOM 771 CA LYS A 51 0.336 -8.906 -2.455 1.00 0.00 C ATOM 772 C LYS A 51 1.176 -7.662 -2.155 1.00 0.00 C ATOM 773 O LYS A 51 1.192 -7.160 -1.047 1.00 0.00 O ATOM 774 CB LYS A 51 0.003 -9.681 -1.187 1.00 0.00 C ATOM 775 CG LYS A 51 -1.183 -10.589 -1.491 1.00 0.00 C ATOM 776 CD LYS A 51 -0.724 -11.792 -2.311 1.00 0.00 C ATOM 777 CE LYS A 51 -1.426 -13.060 -1.813 1.00 0.00 C ATOM 778 NZ LYS A 51 -0.630 -14.186 -2.377 1.00 0.00 N ATOM 0 H LYS A 51 0.577 -10.225 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.560 -8.532 -2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.861 -10.270 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.239 -8.997 -0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.641 -10.926 -0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.945 -10.034 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.949 -11.632 -3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.357 -11.908 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.447 -13.098 -0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.461 -13.098 -2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.049 -15.090 -2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.633 -14.128 -3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.349 -14.127 -2.030 1.00 0.00 H new ATOM 792 N THR A 52 1.866 -7.168 -3.147 1.00 0.00 N ATOM 793 CA THR A 52 2.710 -5.954 -2.948 1.00 0.00 C ATOM 794 C THR A 52 2.219 -4.823 -3.854 1.00 0.00 C ATOM 795 O THR A 52 2.359 -4.880 -5.061 1.00 0.00 O ATOM 796 CB THR A 52 4.125 -6.383 -3.340 1.00 0.00 C ATOM 797 OG1 THR A 52 4.394 -7.671 -2.804 1.00 0.00 O ATOM 798 CG2 THR A 52 5.136 -5.378 -2.788 1.00 0.00 C ATOM 0 H THR A 52 1.882 -7.554 -4.091 1.00 0.00 H new ATOM 0 HA THR A 52 2.670 -5.584 -1.924 1.00 0.00 H new ATOM 0 HB THR A 52 4.206 -6.417 -4.426 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.393 -8.333 -3.527 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.144 -5.685 -3.068 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.930 -4.390 -3.200 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.057 -5.341 -1.702 1.00 0.00 H new ATOM 806 N PHE A 53 1.648 -3.794 -3.279 1.00 0.00 N ATOM 807 CA PHE A 53 1.151 -2.655 -4.108 1.00 0.00 C ATOM 808 C PHE A 53 2.354 -1.880 -4.668 1.00 0.00 C ATOM 809 O PHE A 53 3.487 -2.286 -4.476 1.00 0.00 O ATOM 810 CB PHE A 53 0.312 -1.796 -3.155 1.00 0.00 C ATOM 811 CG PHE A 53 -0.987 -2.512 -2.834 1.00 0.00 C ATOM 812 CD1 PHE A 53 -1.023 -3.489 -1.826 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.156 -2.197 -3.540 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.226 -4.145 -1.527 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.355 -2.858 -3.239 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.389 -3.829 -2.233 1.00 0.00 C ATOM 0 H PHE A 53 1.505 -3.694 -2.274 1.00 0.00 H new ATOM 0 HA PHE A 53 0.553 -2.973 -4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.869 -1.603 -2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.103 -0.828 -3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.124 -3.735 -1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.133 -1.446 -4.315 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.253 -4.895 -0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.255 -2.617 -3.785 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.315 -4.335 -2.002 1.00 0.00 H new ATOM 826 N THR A 54 2.137 -0.778 -5.355 1.00 0.00 N ATOM 827 CA THR A 54 3.290 -0.015 -5.911 1.00 0.00 C ATOM 828 C THR A 54 2.860 1.426 -6.106 1.00 0.00 C ATOM 829 O THR A 54 2.098 1.736 -7.004 1.00 0.00 O ATOM 830 CB THR A 54 3.625 -0.662 -7.260 1.00 0.00 C ATOM 831 OG1 THR A 54 3.299 -2.048 -7.233 1.00 0.00 O ATOM 832 CG2 THR A 54 5.118 -0.498 -7.547 1.00 0.00 C ATOM 0 H THR A 54 1.217 -0.382 -5.550 1.00 0.00 H new ATOM 0 HA THR A 54 4.159 -0.032 -5.253 1.00 0.00 H new ATOM 0 HB THR A 54 3.043 -0.174 -8.042 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.605 -2.234 -7.900 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.357 -0.958 -8.506 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.368 0.562 -7.581 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.695 -0.982 -6.759 1.00 0.00 H new ATOM 840 N VAL A 55 3.313 2.303 -5.258 1.00 0.00 N ATOM 841 CA VAL A 55 2.898 3.723 -5.379 1.00 0.00 C ATOM 842 C VAL A 55 4.101 4.638 -5.578 1.00 0.00 C ATOM 843 O VAL A 55 5.164 4.421 -5.031 1.00 0.00 O ATOM 844 CB VAL A 55 2.168 4.031 -4.068 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.112 3.809 -2.887 1.00 0.00 C ATOM 846 CG2 VAL A 55 1.685 5.481 -4.071 1.00 0.00 C ATOM 0 H VAL A 55 3.951 2.098 -4.489 1.00 0.00 H new ATOM 0 HA VAL A 55 2.261 3.890 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 55 1.309 3.366 -3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.589 4.029 -1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.446 2.772 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.975 4.468 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.167 5.694 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.540 6.149 -4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.003 5.636 -4.907 1.00 0.00 H new ATOM 856 N THR A 56 3.926 5.665 -6.359 1.00 0.00 N ATOM 857 CA THR A 56 5.042 6.617 -6.609 1.00 0.00 C ATOM 858 C THR A 56 4.502 8.047 -6.660 1.00 0.00 C ATOM 859 O THR A 56 3.390 8.306 -6.251 1.00 0.00 O ATOM 860 CB THR A 56 5.653 6.159 -7.947 1.00 0.00 C ATOM 861 OG1 THR A 56 6.942 6.735 -8.101 1.00 0.00 O ATOM 862 CG2 THR A 56 4.774 6.557 -9.135 1.00 0.00 C ATOM 0 H THR A 56 3.053 5.887 -6.838 1.00 0.00 H new ATOM 0 HA THR A 56 5.798 6.619 -5.824 1.00 0.00 H new ATOM 0 HB THR A 56 5.725 5.072 -7.929 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.278 6.548 -9.002 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.238 6.217 -10.061 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.791 6.097 -9.031 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.666 7.641 -9.160 1.00 0.00 H new ATOM 870 N GLU A 57 5.284 8.970 -7.150 1.00 0.00 N ATOM 871 CA GLU A 57 4.815 10.385 -7.221 1.00 0.00 C ATOM 872 C GLU A 57 5.162 10.992 -8.584 1.00 0.00 C ATOM 873 O GLU A 57 6.291 10.821 -9.017 1.00 0.00 O ATOM 874 CB GLU A 57 5.570 11.107 -6.104 1.00 0.00 C ATOM 875 CG GLU A 57 5.082 12.555 -6.006 1.00 0.00 C ATOM 876 CD GLU A 57 5.813 13.263 -4.864 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.022 13.119 -4.781 1.00 0.00 O ATOM 878 OE2 GLU A 57 5.152 13.939 -4.093 1.00 0.00 O ATOM 879 OXT GLU A 57 4.293 11.614 -9.172 1.00 0.00 O ATOM 0 H GLU A 57 6.227 8.807 -7.504 1.00 0.00 H new ATOM 0 HA GLU A 57 3.734 10.468 -7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.413 10.595 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.641 11.087 -6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.263 13.076 -6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.006 12.577 -5.832 1.00 0.00 H new