USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -160:sc= -0.17 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.963 K(o=-0.96,f=-6.3!) USER MOD Single : A 17 MET CE :methyl -146:sc= -13.4! (180deg=-16.2!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -120:sc= -8.97! USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.104) USER MOD Single : A 37 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.3) USER MOD Single : A 38 TYR OH : rot 150:sc= -1.35! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.047) USER MOD Single : A 49 TYR OH : rot -110:sc= -1.48 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.056 X(o=-0.056,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.267 14.403 -9.910 1.00 0.00 N ATOM 2 CA GLY A 1 16.756 13.035 -10.243 1.00 0.00 C ATOM 3 C GLY A 1 15.963 12.000 -9.442 1.00 0.00 C ATOM 4 O GLY A 1 15.002 11.433 -9.924 1.00 0.00 O ATOM 0 H1 GLY A 1 16.806 15.106 -10.454 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.258 14.479 -10.150 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.396 14.580 -8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.644 12.847 -11.311 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.818 12.951 -10.014 1.00 0.00 H new ATOM 10 N SER A 2 16.357 11.749 -8.225 1.00 0.00 N ATOM 11 CA SER A 2 15.624 10.749 -7.395 1.00 0.00 C ATOM 12 C SER A 2 15.620 11.181 -5.926 1.00 0.00 C ATOM 13 O SER A 2 16.624 11.628 -5.407 1.00 0.00 O ATOM 14 CB SER A 2 16.402 9.445 -7.568 1.00 0.00 C ATOM 15 OG SER A 2 17.782 9.742 -7.739 1.00 0.00 O ATOM 0 H SER A 2 17.154 12.192 -7.768 1.00 0.00 H new ATOM 0 HA SER A 2 14.582 10.646 -7.698 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.261 8.805 -6.697 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.026 8.896 -8.431 1.00 0.00 H new ATOM 0 HG SER A 2 18.285 8.908 -7.849 1.00 0.00 H new ATOM 21 N PRO A 3 14.483 11.026 -5.305 1.00 0.00 N ATOM 22 CA PRO A 3 14.338 11.401 -3.877 1.00 0.00 C ATOM 23 C PRO A 3 15.058 10.383 -2.986 1.00 0.00 C ATOM 24 O PRO A 3 14.867 9.192 -3.127 1.00 0.00 O ATOM 25 CB PRO A 3 12.830 11.358 -3.647 1.00 0.00 C ATOM 26 CG PRO A 3 12.305 10.417 -4.685 1.00 0.00 C ATOM 27 CD PRO A 3 13.237 10.494 -5.867 1.00 0.00 C ATOM 0 HA PRO A 3 14.771 12.373 -3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.594 11.008 -2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 3 12.387 12.348 -3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.261 9.400 -4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.291 10.691 -4.976 1.00 0.00 H new ATOM 0 HD2 PRO A 3 13.390 9.514 -6.319 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.841 11.146 -6.646 1.00 0.00 H new ATOM 35 N PRO A 4 15.867 10.891 -2.097 1.00 0.00 N ATOM 36 CA PRO A 4 16.628 10.016 -1.174 1.00 0.00 C ATOM 37 C PRO A 4 15.707 9.429 -0.104 1.00 0.00 C ATOM 38 O PRO A 4 15.122 8.379 -0.279 1.00 0.00 O ATOM 39 CB PRO A 4 17.659 10.958 -0.558 1.00 0.00 C ATOM 40 CG PRO A 4 17.057 12.322 -0.668 1.00 0.00 C ATOM 41 CD PRO A 4 16.146 12.313 -1.868 1.00 0.00 C ATOM 0 HA PRO A 4 17.085 9.161 -1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 4 17.859 10.698 0.482 1.00 0.00 H new ATOM 0 HB3 PRO A 4 18.610 10.903 -1.089 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.500 12.571 0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 4 17.835 13.077 -0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 4 15.230 12.873 -1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 4 16.624 12.770 -2.735 1.00 0.00 H new ATOM 49 N GLU A 5 15.581 10.099 1.001 1.00 0.00 N ATOM 50 CA GLU A 5 14.704 9.587 2.092 1.00 0.00 C ATOM 51 C GLU A 5 13.497 10.508 2.292 1.00 0.00 C ATOM 52 O GLU A 5 13.052 10.731 3.400 1.00 0.00 O ATOM 53 CB GLU A 5 15.585 9.586 3.330 1.00 0.00 C ATOM 54 CG GLU A 5 15.837 8.147 3.780 1.00 0.00 C ATOM 55 CD GLU A 5 16.510 7.369 2.649 1.00 0.00 C ATOM 56 OE1 GLU A 5 15.809 6.959 1.739 1.00 0.00 O ATOM 57 OE2 GLU A 5 17.717 7.197 2.710 1.00 0.00 O ATOM 0 H GLU A 5 16.048 10.984 1.200 1.00 0.00 H new ATOM 0 HA GLU A 5 14.306 8.597 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 5 16.532 10.081 3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.105 10.149 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.469 8.138 4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.896 7.670 4.054 1.00 0.00 H new ATOM 64 N ALA A 6 12.965 11.045 1.228 1.00 0.00 N ATOM 65 CA ALA A 6 11.787 11.951 1.360 1.00 0.00 C ATOM 66 C ALA A 6 10.509 11.133 1.567 1.00 0.00 C ATOM 67 O ALA A 6 9.421 11.669 1.647 1.00 0.00 O ATOM 68 CB ALA A 6 11.726 12.718 0.039 1.00 0.00 C ATOM 0 H ALA A 6 13.294 10.896 0.274 1.00 0.00 H new ATOM 0 HA ALA A 6 11.876 12.621 2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.882 13.408 0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.650 13.279 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.602 12.015 -0.785 1.00 0.00 H new ATOM 74 N ASP A 7 10.634 9.837 1.659 1.00 0.00 N ATOM 75 CA ASP A 7 9.435 8.977 1.865 1.00 0.00 C ATOM 76 C ASP A 7 9.809 7.507 1.666 1.00 0.00 C ATOM 77 O ASP A 7 9.309 6.852 0.774 1.00 0.00 O ATOM 78 CB ASP A 7 8.425 9.424 0.807 1.00 0.00 C ATOM 79 CG ASP A 7 7.265 10.156 1.486 1.00 0.00 C ATOM 80 OD1 ASP A 7 6.627 9.554 2.334 1.00 0.00 O ATOM 81 OD2 ASP A 7 7.036 11.305 1.147 1.00 0.00 O ATOM 0 H ASP A 7 11.520 9.335 1.600 1.00 0.00 H new ATOM 0 HA ASP A 7 9.027 9.073 2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.908 10.079 0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.052 8.560 0.257 1.00 0.00 H new ATOM 86 N PRO A 8 10.688 7.042 2.510 1.00 0.00 N ATOM 87 CA PRO A 8 11.151 5.638 2.432 1.00 0.00 C ATOM 88 C PRO A 8 10.085 4.685 2.978 1.00 0.00 C ATOM 89 O PRO A 8 10.129 3.494 2.743 1.00 0.00 O ATOM 90 CB PRO A 8 12.394 5.622 3.317 1.00 0.00 C ATOM 91 CG PRO A 8 12.206 6.754 4.279 1.00 0.00 C ATOM 92 CD PRO A 8 11.329 7.779 3.605 1.00 0.00 C ATOM 0 HA PRO A 8 11.352 5.313 1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.492 4.672 3.842 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.300 5.754 2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.744 6.401 5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.167 7.190 4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.591 8.187 4.296 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.914 8.619 3.231 1.00 0.00 H new ATOM 100 N ARG A 9 9.126 5.192 3.705 1.00 0.00 N ATOM 101 CA ARG A 9 8.073 4.301 4.255 1.00 0.00 C ATOM 102 C ARG A 9 7.038 3.981 3.177 1.00 0.00 C ATOM 103 O ARG A 9 6.223 3.092 3.327 1.00 0.00 O ATOM 104 CB ARG A 9 7.459 5.083 5.402 1.00 0.00 C ATOM 105 CG ARG A 9 8.040 4.586 6.727 1.00 0.00 C ATOM 106 CD ARG A 9 8.126 5.749 7.717 1.00 0.00 C ATOM 107 NE ARG A 9 7.074 5.466 8.733 1.00 0.00 N ATOM 108 CZ ARG A 9 6.081 6.297 8.894 1.00 0.00 C ATOM 109 NH1 ARG A 9 6.236 7.366 9.626 1.00 0.00 N ATOM 110 NH2 ARG A 9 4.932 6.060 8.321 1.00 0.00 N ATOM 0 H ARG A 9 9.029 6.180 3.939 1.00 0.00 H new ATOM 0 HA ARG A 9 8.467 3.343 4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.662 6.147 5.280 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.376 4.962 5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.414 3.793 7.136 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.030 4.159 6.565 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.113 5.805 8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.950 6.704 7.221 1.00 0.00 H new ATOM 0 HE ARG A 9 7.130 4.622 9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.134 7.552 10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.459 8.015 9.751 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.811 5.225 7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.156 6.710 8.447 1.00 0.00 H new ATOM 124 N LEU A 10 7.081 4.683 2.080 1.00 0.00 N ATOM 125 CA LEU A 10 6.118 4.401 0.978 1.00 0.00 C ATOM 126 C LEU A 10 6.549 3.119 0.266 1.00 0.00 C ATOM 127 O LEU A 10 5.737 2.345 -0.195 1.00 0.00 O ATOM 128 CB LEU A 10 6.208 5.607 0.030 1.00 0.00 C ATOM 129 CG LEU A 10 5.798 5.196 -1.387 1.00 0.00 C ATOM 130 CD1 LEU A 10 4.879 6.263 -1.984 1.00 0.00 C ATOM 131 CD2 LEU A 10 7.049 5.055 -2.258 1.00 0.00 C ATOM 0 H LEU A 10 7.740 5.440 1.898 1.00 0.00 H new ATOM 0 HA LEU A 10 5.097 4.261 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.560 6.408 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.225 5.999 0.023 1.00 0.00 H new ATOM 0 HG LEU A 10 5.270 4.243 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.588 5.969 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.988 6.364 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.405 7.217 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.759 4.762 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.577 6.008 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.704 4.294 -1.834 1.00 0.00 H new ATOM 143 N ILE A 11 7.831 2.896 0.183 1.00 0.00 N ATOM 144 CA ILE A 11 8.336 1.673 -0.487 1.00 0.00 C ATOM 145 C ILE A 11 8.323 0.508 0.506 1.00 0.00 C ATOM 146 O ILE A 11 7.852 -0.570 0.204 1.00 0.00 O ATOM 147 CB ILE A 11 9.763 2.047 -0.928 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.755 2.411 -2.414 1.00 0.00 C ATOM 149 CG2 ILE A 11 10.727 0.879 -0.701 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.551 1.146 -3.249 1.00 0.00 C ATOM 0 H ILE A 11 8.552 3.514 0.554 1.00 0.00 H new ATOM 0 HA ILE A 11 7.733 1.353 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 11 10.098 2.897 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.959 3.127 -2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.695 2.892 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.729 1.167 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.743 0.621 0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.396 0.016 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.545 1.406 -4.308 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.362 0.445 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.600 0.684 -2.984 1.00 0.00 H new ATOM 162 N GLU A 12 8.829 0.716 1.692 1.00 0.00 N ATOM 163 CA GLU A 12 8.828 -0.382 2.689 1.00 0.00 C ATOM 164 C GLU A 12 7.460 -1.051 2.698 1.00 0.00 C ATOM 165 O GLU A 12 7.318 -2.199 2.325 1.00 0.00 O ATOM 166 CB GLU A 12 9.119 0.282 4.023 1.00 0.00 C ATOM 167 CG GLU A 12 10.423 -0.274 4.598 1.00 0.00 C ATOM 168 CD GLU A 12 11.520 0.788 4.505 1.00 0.00 C ATOM 169 OE1 GLU A 12 11.225 1.941 4.776 1.00 0.00 O ATOM 170 OE2 GLU A 12 12.636 0.432 4.164 1.00 0.00 O ATOM 0 H GLU A 12 9.240 1.595 2.008 1.00 0.00 H new ATOM 0 HA GLU A 12 9.566 -1.153 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.197 1.362 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.298 0.103 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.277 -0.570 5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.721 -1.168 4.051 1.00 0.00 H new ATOM 177 N SER A 13 6.445 -0.340 3.097 1.00 0.00 N ATOM 178 CA SER A 13 5.094 -0.939 3.097 1.00 0.00 C ATOM 179 C SER A 13 4.837 -1.562 1.727 1.00 0.00 C ATOM 180 O SER A 13 4.411 -2.695 1.621 1.00 0.00 O ATOM 181 CB SER A 13 4.137 0.222 3.365 1.00 0.00 C ATOM 182 OG SER A 13 3.564 0.067 4.657 1.00 0.00 O ATOM 0 H SER A 13 6.497 0.626 3.421 1.00 0.00 H new ATOM 0 HA SER A 13 4.970 -1.723 3.844 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.670 1.171 3.302 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.354 0.246 2.607 1.00 0.00 H new ATOM 0 HG SER A 13 2.742 0.597 4.716 1.00 0.00 H new ATOM 188 N LEU A 14 5.119 -0.842 0.672 1.00 0.00 N ATOM 189 CA LEU A 14 4.908 -1.427 -0.679 1.00 0.00 C ATOM 190 C LEU A 14 5.634 -2.769 -0.772 1.00 0.00 C ATOM 191 O LEU A 14 5.181 -3.687 -1.426 1.00 0.00 O ATOM 192 CB LEU A 14 5.506 -0.427 -1.657 1.00 0.00 C ATOM 193 CG LEU A 14 4.478 -0.146 -2.747 1.00 0.00 C ATOM 194 CD1 LEU A 14 4.582 1.310 -3.183 1.00 0.00 C ATOM 195 CD2 LEU A 14 4.741 -1.067 -3.938 1.00 0.00 C ATOM 0 H LEU A 14 5.481 0.112 0.689 1.00 0.00 H new ATOM 0 HA LEU A 14 3.854 -1.607 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.773 0.495 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.422 -0.825 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 14 3.475 -0.331 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.847 1.510 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.391 1.960 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.582 1.503 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.008 -0.869 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.743 -0.884 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.660 -2.106 -3.619 1.00 0.00 H new ATOM 207 N SER A 15 6.757 -2.895 -0.115 1.00 0.00 N ATOM 208 CA SER A 15 7.498 -4.180 -0.165 1.00 0.00 C ATOM 209 C SER A 15 6.599 -5.318 0.318 1.00 0.00 C ATOM 210 O SER A 15 6.549 -6.376 -0.276 1.00 0.00 O ATOM 211 CB SER A 15 8.688 -3.995 0.775 1.00 0.00 C ATOM 212 OG SER A 15 9.651 -5.009 0.518 1.00 0.00 O ATOM 0 H SER A 15 7.188 -2.164 0.451 1.00 0.00 H new ATOM 0 HA SER A 15 7.821 -4.434 -1.175 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.132 -3.010 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.358 -4.045 1.813 1.00 0.00 H new ATOM 0 HG SER A 15 10.417 -4.892 1.118 1.00 0.00 H new ATOM 218 N GLN A 16 5.886 -5.113 1.394 1.00 0.00 N ATOM 219 CA GLN A 16 4.999 -6.180 1.907 1.00 0.00 C ATOM 220 C GLN A 16 3.942 -6.541 0.862 1.00 0.00 C ATOM 221 O GLN A 16 3.402 -7.630 0.866 1.00 0.00 O ATOM 222 CB GLN A 16 4.368 -5.577 3.165 1.00 0.00 C ATOM 223 CG GLN A 16 3.184 -4.681 2.787 1.00 0.00 C ATOM 224 CD GLN A 16 1.874 -5.418 3.073 1.00 0.00 C ATOM 225 OE1 GLN A 16 1.458 -6.263 2.305 1.00 0.00 O ATOM 226 NE2 GLN A 16 1.203 -5.132 4.156 1.00 0.00 N ATOM 0 H GLN A 16 5.884 -4.249 1.936 1.00 0.00 H new ATOM 0 HA GLN A 16 5.530 -7.106 2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.033 -6.373 3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.112 -4.997 3.712 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.222 -3.751 3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.240 -4.413 1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.553 -4.423 4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.329 -5.618 4.358 1.00 0.00 H new ATOM 235 N MET A 17 3.647 -5.647 -0.039 1.00 0.00 N ATOM 236 CA MET A 17 2.637 -5.954 -1.079 1.00 0.00 C ATOM 237 C MET A 17 3.266 -6.847 -2.147 1.00 0.00 C ATOM 238 O MET A 17 2.589 -7.585 -2.835 1.00 0.00 O ATOM 239 CB MET A 17 2.257 -4.597 -1.658 1.00 0.00 C ATOM 240 CG MET A 17 1.108 -4.001 -0.847 1.00 0.00 C ATOM 241 SD MET A 17 1.621 -2.411 -0.152 1.00 0.00 S ATOM 242 CE MET A 17 0.958 -1.360 -1.468 1.00 0.00 C ATOM 0 H MET A 17 4.064 -4.718 -0.097 1.00 0.00 H new ATOM 0 HA MET A 17 1.767 -6.483 -0.690 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.117 -3.927 -1.637 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.962 -4.705 -2.702 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.232 -3.867 -1.482 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.821 -4.684 -0.047 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.608 -0.495 -1.605 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.909 -1.928 -2.397 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.042 -1.023 -1.195 1.00 0.00 H new ATOM 252 N LEU A 18 4.563 -6.791 -2.283 1.00 0.00 N ATOM 253 CA LEU A 18 5.241 -7.644 -3.296 1.00 0.00 C ATOM 254 C LEU A 18 5.405 -9.060 -2.752 1.00 0.00 C ATOM 255 O LEU A 18 5.668 -9.995 -3.482 1.00 0.00 O ATOM 256 CB LEU A 18 6.603 -6.990 -3.527 1.00 0.00 C ATOM 257 CG LEU A 18 7.416 -7.834 -4.509 1.00 0.00 C ATOM 258 CD1 LEU A 18 6.745 -7.805 -5.884 1.00 0.00 C ATOM 259 CD2 LEU A 18 8.831 -7.261 -4.622 1.00 0.00 C ATOM 0 H LEU A 18 5.181 -6.191 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 18 4.673 -7.721 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.472 -5.982 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.138 -6.897 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 18 7.466 -8.862 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.324 -8.407 -6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.736 -8.211 -5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.696 -6.777 -6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.412 -7.862 -5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.780 -6.233 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.310 -7.279 -3.643 1.00 0.00 H new ATOM 271 N SER A 19 5.248 -9.223 -1.469 1.00 0.00 N ATOM 272 CA SER A 19 5.391 -10.580 -0.868 1.00 0.00 C ATOM 273 C SER A 19 4.027 -11.099 -0.405 1.00 0.00 C ATOM 274 O SER A 19 3.905 -11.696 0.646 1.00 0.00 O ATOM 275 CB SER A 19 6.325 -10.386 0.324 1.00 0.00 C ATOM 276 OG SER A 19 7.329 -9.438 -0.015 1.00 0.00 O ATOM 0 H SER A 19 5.027 -8.477 -0.810 1.00 0.00 H new ATOM 0 HA SER A 19 5.782 -11.309 -1.578 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.761 -10.041 1.190 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.784 -11.336 0.600 1.00 0.00 H new ATOM 0 HG SER A 19 7.929 -9.310 0.749 1.00 0.00 H new ATOM 282 N MET A 20 2.998 -10.873 -1.177 1.00 0.00 N ATOM 283 CA MET A 20 1.646 -11.352 -0.769 1.00 0.00 C ATOM 284 C MET A 20 0.901 -11.982 -1.941 1.00 0.00 C ATOM 285 O MET A 20 0.432 -13.101 -1.872 1.00 0.00 O ATOM 286 CB MET A 20 0.920 -10.109 -0.280 1.00 0.00 C ATOM 287 CG MET A 20 -0.289 -10.515 0.567 1.00 0.00 C ATOM 288 SD MET A 20 0.252 -11.542 1.958 1.00 0.00 S ATOM 289 CE MET A 20 -0.244 -10.413 3.281 1.00 0.00 C ATOM 0 H MET A 20 3.035 -10.379 -2.069 1.00 0.00 H new ATOM 0 HA MET A 20 1.709 -12.124 -0.002 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.597 -9.489 0.309 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.595 -9.508 -1.130 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.800 -9.626 0.937 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.005 -11.063 -0.045 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.001 -10.854 4.247 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.285 -9.467 3.169 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.318 -10.236 3.225 1.00 0.00 H new ATOM 299 N GLY A 21 0.762 -11.254 -2.996 1.00 0.00 N ATOM 300 CA GLY A 21 0.022 -11.756 -4.172 1.00 0.00 C ATOM 301 C GLY A 21 -1.003 -10.701 -4.505 1.00 0.00 C ATOM 302 O GLY A 21 -2.184 -10.956 -4.634 1.00 0.00 O ATOM 0 H GLY A 21 1.137 -10.311 -3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.695 -11.924 -5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.458 -12.710 -3.952 1.00 0.00 H new ATOM 306 N PHE A 22 -0.547 -9.494 -4.560 1.00 0.00 N ATOM 307 CA PHE A 22 -1.452 -8.357 -4.786 1.00 0.00 C ATOM 308 C PHE A 22 -1.559 -7.931 -6.244 1.00 0.00 C ATOM 309 O PHE A 22 -0.832 -8.370 -7.112 1.00 0.00 O ATOM 310 CB PHE A 22 -0.830 -7.250 -3.953 1.00 0.00 C ATOM 311 CG PHE A 22 -1.195 -7.445 -2.511 1.00 0.00 C ATOM 312 CD1 PHE A 22 -1.783 -8.642 -2.085 1.00 0.00 C ATOM 313 CD2 PHE A 22 -0.972 -6.414 -1.604 1.00 0.00 C ATOM 314 CE1 PHE A 22 -2.151 -8.800 -0.756 1.00 0.00 C ATOM 315 CE2 PHE A 22 -1.336 -6.574 -0.270 1.00 0.00 C ATOM 316 CZ PHE A 22 -1.928 -7.770 0.151 1.00 0.00 C ATOM 0 H PHE A 22 0.436 -9.244 -4.455 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.476 -8.610 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.254 -7.258 -4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.181 -6.278 -4.300 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.950 -9.442 -2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.518 -5.492 -1.934 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.610 -9.721 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.162 -5.777 0.438 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.213 -7.894 1.185 1.00 0.00 H new ATOM 326 N SER A 23 -2.500 -7.067 -6.482 1.00 0.00 N ATOM 327 CA SER A 23 -2.763 -6.546 -7.840 1.00 0.00 C ATOM 328 C SER A 23 -2.339 -5.079 -7.957 1.00 0.00 C ATOM 329 O SER A 23 -1.472 -4.604 -7.252 1.00 0.00 O ATOM 330 CB SER A 23 -4.279 -6.635 -7.981 1.00 0.00 C ATOM 331 OG SER A 23 -4.608 -7.480 -9.076 1.00 0.00 O ATOM 0 H SER A 23 -3.117 -6.690 -5.763 1.00 0.00 H new ATOM 0 HA SER A 23 -2.215 -7.101 -8.601 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.717 -7.026 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.699 -5.641 -8.137 1.00 0.00 H new ATOM 0 HG SER A 23 -5.582 -7.537 -9.164 1.00 0.00 H new ATOM 337 N ASP A 24 -2.977 -4.360 -8.842 1.00 0.00 N ATOM 338 CA ASP A 24 -2.667 -2.917 -9.027 1.00 0.00 C ATOM 339 C ASP A 24 -3.853 -2.243 -9.718 1.00 0.00 C ATOM 340 O ASP A 24 -3.698 -1.279 -10.442 1.00 0.00 O ATOM 341 CB ASP A 24 -1.431 -2.879 -9.919 1.00 0.00 C ATOM 342 CG ASP A 24 -0.977 -1.430 -10.101 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.666 -0.797 -9.105 1.00 0.00 O ATOM 344 OD2 ASP A 24 -0.947 -0.977 -11.234 1.00 0.00 O ATOM 0 H ASP A 24 -3.711 -4.720 -9.453 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.488 -2.397 -8.086 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.630 -3.469 -9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.655 -3.325 -10.888 1.00 0.00 H new ATOM 349 N GLU A 25 -5.036 -2.762 -9.498 1.00 0.00 N ATOM 350 CA GLU A 25 -6.261 -2.185 -10.130 1.00 0.00 C ATOM 351 C GLU A 25 -6.143 -0.669 -10.255 1.00 0.00 C ATOM 352 O GLU A 25 -5.681 -0.151 -11.253 1.00 0.00 O ATOM 353 CB GLU A 25 -7.399 -2.565 -9.183 1.00 0.00 C ATOM 354 CG GLU A 25 -7.628 -4.077 -9.244 1.00 0.00 C ATOM 355 CD GLU A 25 -9.122 -4.376 -9.109 1.00 0.00 C ATOM 356 OE1 GLU A 25 -9.871 -3.951 -9.971 1.00 0.00 O ATOM 357 OE2 GLU A 25 -9.490 -5.025 -8.144 1.00 0.00 O ATOM 0 H GLU A 25 -5.206 -3.571 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.421 -2.562 -11.140 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.155 -2.264 -8.164 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.311 -2.037 -9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.251 -4.474 -10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.074 -4.571 -8.446 1.00 0.00 H new ATOM 364 N GLY A 26 -6.548 0.043 -9.251 1.00 0.00 N ATOM 365 CA GLY A 26 -6.452 1.528 -9.304 1.00 0.00 C ATOM 366 C GLY A 26 -5.024 1.961 -8.960 1.00 0.00 C ATOM 367 O GLY A 26 -4.814 2.860 -8.171 1.00 0.00 O ATOM 0 H GLY A 26 -6.944 -0.336 -8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.722 1.885 -10.298 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.157 1.974 -8.603 1.00 0.00 H new ATOM 371 N GLY A 27 -4.041 1.328 -9.549 1.00 0.00 N ATOM 372 CA GLY A 27 -2.627 1.696 -9.263 1.00 0.00 C ATOM 373 C GLY A 27 -2.458 1.975 -7.770 1.00 0.00 C ATOM 374 O GLY A 27 -1.726 2.860 -7.374 1.00 0.00 O ATOM 0 H GLY A 27 -4.161 0.568 -10.219 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.962 0.888 -9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.346 2.576 -9.841 1.00 0.00 H new ATOM 378 N TRP A 28 -3.136 1.236 -6.933 1.00 0.00 N ATOM 379 CA TRP A 28 -3.016 1.471 -5.477 1.00 0.00 C ATOM 380 C TRP A 28 -1.679 0.944 -4.950 1.00 0.00 C ATOM 381 O TRP A 28 -1.116 1.501 -4.031 1.00 0.00 O ATOM 382 CB TRP A 28 -4.183 0.705 -4.866 1.00 0.00 C ATOM 383 CG TRP A 28 -4.055 -0.740 -5.169 1.00 0.00 C ATOM 384 CD1 TRP A 28 -4.732 -1.385 -6.127 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.227 -1.723 -4.523 1.00 0.00 C ATOM 386 NE1 TRP A 28 -4.364 -2.719 -6.116 1.00 0.00 N ATOM 387 CE2 TRP A 28 -3.439 -2.971 -5.144 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.321 -1.657 -3.473 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -2.774 -4.108 -4.734 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -1.655 -2.789 -3.052 1.00 0.00 C ATOM 391 CH2 TRP A 28 -1.874 -4.017 -3.678 1.00 0.00 C ATOM 0 H TRP A 28 -3.767 0.481 -7.201 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.044 2.531 -5.225 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.204 0.858 -3.787 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.125 1.086 -5.261 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.449 -0.937 -6.799 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.736 -3.424 -6.753 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.136 -0.713 -2.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.950 -5.054 -5.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.957 -2.725 -2.230 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.345 -4.896 -3.342 1.00 0.00 H new ATOM 402 N LEU A 29 -1.157 -0.110 -5.509 1.00 0.00 N ATOM 403 CA LEU A 29 0.144 -0.618 -5.001 1.00 0.00 C ATOM 404 C LEU A 29 1.095 0.563 -4.791 1.00 0.00 C ATOM 405 O LEU A 29 1.968 0.532 -3.946 1.00 0.00 O ATOM 406 CB LEU A 29 0.654 -1.567 -6.083 1.00 0.00 C ATOM 407 CG LEU A 29 0.595 -3.000 -5.549 1.00 0.00 C ATOM 408 CD1 LEU A 29 1.182 -3.969 -6.573 1.00 0.00 C ATOM 409 CD2 LEU A 29 1.398 -3.091 -4.253 1.00 0.00 C ATOM 0 H LEU A 29 -1.567 -0.634 -6.282 1.00 0.00 H new ATOM 0 HA LEU A 29 0.060 -1.133 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.047 -1.474 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.676 -1.309 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.445 -3.266 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.134 -4.985 -6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.610 -3.910 -7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.221 -3.705 -6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.357 -4.111 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.435 -2.817 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.975 -2.410 -3.515 1.00 0.00 H new ATOM 421 N THR A 30 0.909 1.614 -5.545 1.00 0.00 N ATOM 422 CA THR A 30 1.773 2.820 -5.385 1.00 0.00 C ATOM 423 C THR A 30 1.027 3.917 -4.608 1.00 0.00 C ATOM 424 O THR A 30 1.609 4.631 -3.815 1.00 0.00 O ATOM 425 CB THR A 30 2.074 3.284 -6.810 1.00 0.00 C ATOM 426 OG1 THR A 30 2.999 2.389 -7.413 1.00 0.00 O ATOM 427 CG2 THR A 30 2.671 4.691 -6.774 1.00 0.00 C ATOM 0 H THR A 30 0.193 1.689 -6.268 1.00 0.00 H new ATOM 0 HA THR A 30 2.682 2.601 -4.825 1.00 0.00 H new ATOM 0 HB THR A 30 1.152 3.298 -7.391 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.191 2.684 -8.327 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.885 5.021 -7.790 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.960 5.376 -6.312 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.594 4.680 -6.194 1.00 0.00 H new ATOM 435 N ARG A 31 -0.253 4.064 -4.841 1.00 0.00 N ATOM 436 CA ARG A 31 -1.033 5.125 -4.130 1.00 0.00 C ATOM 437 C ARG A 31 -1.706 4.559 -2.876 1.00 0.00 C ATOM 438 O ARG A 31 -1.798 5.230 -1.869 1.00 0.00 O ATOM 439 CB ARG A 31 -2.088 5.580 -5.138 1.00 0.00 C ATOM 440 CG ARG A 31 -2.648 6.940 -4.717 1.00 0.00 C ATOM 441 CD ARG A 31 -3.877 7.272 -5.567 1.00 0.00 C ATOM 442 NE ARG A 31 -5.035 7.123 -4.641 1.00 0.00 N ATOM 443 CZ ARG A 31 -6.233 7.462 -5.036 1.00 0.00 C ATOM 444 NH1 ARG A 31 -6.965 6.613 -5.704 1.00 0.00 N ATOM 445 NH2 ARG A 31 -6.698 8.650 -4.761 1.00 0.00 N ATOM 0 H ARG A 31 -0.793 3.495 -5.493 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.395 5.944 -3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.649 5.649 -6.133 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.892 4.846 -5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.917 6.923 -3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.888 7.712 -4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.819 8.284 -5.967 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.963 6.597 -6.419 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.892 6.757 -3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.602 5.684 -5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.900 6.878 -6.012 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.126 9.313 -4.238 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.633 8.915 -5.069 1.00 0.00 H new ATOM 459 N LEU A 32 -2.175 3.336 -2.938 1.00 0.00 N ATOM 460 CA LEU A 32 -2.844 2.705 -1.755 1.00 0.00 C ATOM 461 C LEU A 32 -2.200 3.219 -0.467 1.00 0.00 C ATOM 462 O LEU A 32 -2.812 3.904 0.330 1.00 0.00 O ATOM 463 CB LEU A 32 -2.571 1.218 -1.889 1.00 0.00 C ATOM 464 CG LEU A 32 -3.491 0.443 -0.943 1.00 0.00 C ATOM 465 CD1 LEU A 32 -4.751 0.008 -1.694 1.00 0.00 C ATOM 466 CD2 LEU A 32 -2.760 -0.795 -0.418 1.00 0.00 C ATOM 0 H LEU A 32 -2.123 2.742 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.910 2.931 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.737 0.898 -2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.528 1.006 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.770 1.084 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.405 -0.544 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.274 0.888 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.473 -0.631 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.416 -1.346 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.479 -1.434 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.863 -0.487 0.120 1.00 0.00 H new ATOM 478 N LEU A 33 -0.940 2.914 -0.294 1.00 0.00 N ATOM 479 CA LEU A 33 -0.192 3.396 0.898 1.00 0.00 C ATOM 480 C LEU A 33 -0.464 4.886 1.077 1.00 0.00 C ATOM 481 O LEU A 33 -0.885 5.342 2.122 1.00 0.00 O ATOM 482 CB LEU A 33 1.272 3.174 0.512 1.00 0.00 C ATOM 483 CG LEU A 33 1.858 2.007 1.305 1.00 0.00 C ATOM 484 CD1 LEU A 33 2.015 0.796 0.385 1.00 0.00 C ATOM 485 CD2 LEU A 33 3.229 2.412 1.848 1.00 0.00 C ATOM 0 H LEU A 33 -0.393 2.343 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.465 2.893 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.347 2.971 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.847 4.079 0.705 1.00 0.00 H new ATOM 0 HG LEU A 33 1.194 1.752 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.433 -0.038 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.041 0.513 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.683 1.049 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.655 1.584 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.890 2.661 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.121 3.280 2.498 1.00 0.00 H new ATOM 497 N GLN A 34 -0.220 5.638 0.045 1.00 0.00 N ATOM 498 CA GLN A 34 -0.441 7.096 0.092 1.00 0.00 C ATOM 499 C GLN A 34 -1.923 7.419 0.327 1.00 0.00 C ATOM 500 O GLN A 34 -2.257 8.421 0.927 1.00 0.00 O ATOM 501 CB GLN A 34 0.006 7.565 -1.289 1.00 0.00 C ATOM 502 CG GLN A 34 1.495 7.912 -1.252 1.00 0.00 C ATOM 503 CD GLN A 34 1.747 9.181 -2.068 1.00 0.00 C ATOM 504 OE1 GLN A 34 1.459 10.273 -1.622 1.00 0.00 O ATOM 505 NE2 GLN A 34 2.279 9.081 -3.256 1.00 0.00 N ATOM 0 H GLN A 34 0.131 5.290 -0.847 1.00 0.00 H new ATOM 0 HA GLN A 34 0.100 7.583 0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.178 6.784 -2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.574 8.436 -1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.819 8.060 -0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.081 7.086 -1.655 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.521 8.164 -3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.453 9.920 -3.809 1.00 0.00 H new ATOM 514 N THR A 35 -2.813 6.588 -0.146 1.00 0.00 N ATOM 515 CA THR A 35 -4.262 6.864 0.050 1.00 0.00 C ATOM 516 C THR A 35 -4.597 6.958 1.540 1.00 0.00 C ATOM 517 O THR A 35 -5.522 7.641 1.935 1.00 0.00 O ATOM 518 CB THR A 35 -4.988 5.689 -0.591 1.00 0.00 C ATOM 519 OG1 THR A 35 -4.070 4.916 -1.350 1.00 0.00 O ATOM 520 CG2 THR A 35 -6.096 6.209 -1.508 1.00 0.00 C ATOM 0 H THR A 35 -2.598 5.732 -0.658 1.00 0.00 H new ATOM 0 HA THR A 35 -4.557 7.814 -0.396 1.00 0.00 H new ATOM 0 HB THR A 35 -5.425 5.067 0.190 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.356 4.896 -2.287 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.615 5.367 -1.966 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.804 6.798 -0.925 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.660 6.834 -2.287 1.00 0.00 H new ATOM 528 N LYS A 36 -3.856 6.280 2.372 1.00 0.00 N ATOM 529 CA LYS A 36 -4.140 6.338 3.834 1.00 0.00 C ATOM 530 C LYS A 36 -2.833 6.356 4.632 1.00 0.00 C ATOM 531 O LYS A 36 -2.743 5.803 5.709 1.00 0.00 O ATOM 532 CB LYS A 36 -4.934 5.065 4.133 1.00 0.00 C ATOM 533 CG LYS A 36 -6.287 5.123 3.422 1.00 0.00 C ATOM 534 CD LYS A 36 -7.073 3.847 3.727 1.00 0.00 C ATOM 535 CE LYS A 36 -8.175 3.660 2.681 1.00 0.00 C ATOM 536 NZ LYS A 36 -8.983 2.513 3.179 1.00 0.00 N ATOM 0 H LYS A 36 -3.068 5.690 2.104 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.690 7.238 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.375 4.190 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.081 4.961 5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.848 5.997 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.142 5.226 2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.404 2.986 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.510 3.907 4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.783 4.559 2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.755 3.450 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.566 2.137 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.348 1.767 3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.600 2.833 3.953 1.00 0.00 H new ATOM 550 N ASN A 37 -1.821 6.995 4.113 1.00 0.00 N ATOM 551 CA ASN A 37 -0.522 7.057 4.839 1.00 0.00 C ATOM 552 C ASN A 37 -0.007 5.648 5.147 1.00 0.00 C ATOM 553 O ASN A 37 0.032 5.224 6.285 1.00 0.00 O ATOM 554 CB ASN A 37 -0.844 7.811 6.123 1.00 0.00 C ATOM 555 CG ASN A 37 0.416 7.927 6.983 1.00 0.00 C ATOM 556 OD1 ASN A 37 0.385 7.649 8.166 1.00 0.00 O ATOM 557 ND2 ASN A 37 1.529 8.328 6.436 1.00 0.00 N ATOM 0 H ASN A 37 -1.838 7.478 3.215 1.00 0.00 H new ATOM 0 HA ASN A 37 0.260 7.545 4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.227 8.804 5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.626 7.290 6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.375 8.409 7.001 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.554 8.561 5.443 1.00 0.00 H new ATOM 564 N TYR A 38 0.401 4.925 4.139 1.00 0.00 N ATOM 565 CA TYR A 38 0.928 3.547 4.364 1.00 0.00 C ATOM 566 C TYR A 38 -0.028 2.740 5.236 1.00 0.00 C ATOM 567 O TYR A 38 0.372 2.065 6.163 1.00 0.00 O ATOM 568 CB TYR A 38 2.264 3.755 5.067 1.00 0.00 C ATOM 569 CG TYR A 38 3.097 4.734 4.274 1.00 0.00 C ATOM 570 CD1 TYR A 38 2.769 5.014 2.942 1.00 0.00 C ATOM 571 CD2 TYR A 38 4.193 5.368 4.869 1.00 0.00 C ATOM 572 CE1 TYR A 38 3.531 5.918 2.208 1.00 0.00 C ATOM 573 CE2 TYR A 38 4.956 6.278 4.133 1.00 0.00 C ATOM 574 CZ TYR A 38 4.628 6.554 2.803 1.00 0.00 C ATOM 575 OH TYR A 38 5.379 7.463 2.086 1.00 0.00 O ATOM 0 H TYR A 38 0.392 5.230 3.166 1.00 0.00 H new ATOM 0 HA TYR A 38 1.037 2.988 3.435 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.102 4.132 6.077 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.790 2.805 5.162 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.922 4.527 2.483 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.449 5.154 5.896 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.277 6.129 1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.801 6.769 4.593 1.00 0.00 H new ATOM 0 HH TYR A 38 5.751 8.133 2.696 1.00 0.00 H new ATOM 585 N ASP A 39 -1.286 2.797 4.928 1.00 0.00 N ATOM 586 CA ASP A 39 -2.286 2.025 5.716 1.00 0.00 C ATOM 587 C ASP A 39 -2.638 0.748 4.963 1.00 0.00 C ATOM 588 O ASP A 39 -3.759 0.282 5.007 1.00 0.00 O ATOM 589 CB ASP A 39 -3.503 2.940 5.823 1.00 0.00 C ATOM 590 CG ASP A 39 -3.761 3.276 7.293 1.00 0.00 C ATOM 591 OD1 ASP A 39 -3.206 4.255 7.763 1.00 0.00 O ATOM 592 OD2 ASP A 39 -4.509 2.548 7.925 1.00 0.00 O ATOM 0 H ASP A 39 -1.671 3.347 4.160 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.918 1.736 6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.335 3.854 5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.377 2.452 5.392 1.00 0.00 H new ATOM 597 N ILE A 40 -1.690 0.182 4.259 1.00 0.00 N ATOM 598 CA ILE A 40 -1.998 -1.062 3.500 1.00 0.00 C ATOM 599 C ILE A 40 -2.793 -1.998 4.393 1.00 0.00 C ATOM 600 O ILE A 40 -3.981 -2.089 4.265 1.00 0.00 O ATOM 601 CB ILE A 40 -0.676 -1.746 3.077 1.00 0.00 C ATOM 602 CG1 ILE A 40 0.538 -0.828 3.264 1.00 0.00 C ATOM 603 CG2 ILE A 40 -0.771 -2.132 1.600 1.00 0.00 C ATOM 604 CD1 ILE A 40 1.799 -1.553 2.793 1.00 0.00 C ATOM 0 H ILE A 40 -0.732 0.523 4.179 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.579 -0.821 2.610 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.537 -2.622 3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.402 0.093 2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.637 -0.546 4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.155 -2.615 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.605 -2.820 1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.932 -1.237 1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.664 -0.902 2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.936 -2.462 3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.697 -1.812 1.739 1.00 0.00 H new ATOM 616 N GLY A 41 -2.142 -2.681 5.296 1.00 0.00 N ATOM 617 CA GLY A 41 -2.855 -3.637 6.208 1.00 0.00 C ATOM 618 C GLY A 41 -4.340 -3.291 6.333 1.00 0.00 C ATOM 619 O GLY A 41 -5.197 -4.138 6.174 1.00 0.00 O ATOM 0 H GLY A 41 -1.135 -2.620 5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.748 -4.653 5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.391 -3.615 7.194 1.00 0.00 H new ATOM 623 N ALA A 42 -4.657 -2.057 6.595 1.00 0.00 N ATOM 624 CA ALA A 42 -6.086 -1.672 6.704 1.00 0.00 C ATOM 625 C ALA A 42 -6.753 -1.796 5.335 1.00 0.00 C ATOM 626 O ALA A 42 -7.749 -2.474 5.179 1.00 0.00 O ATOM 627 CB ALA A 42 -6.065 -0.217 7.178 1.00 0.00 C ATOM 0 H ALA A 42 -3.989 -1.300 6.738 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.648 -2.306 7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.087 0.146 7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.556 -0.155 8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.537 0.396 6.448 1.00 0.00 H new ATOM 633 N ALA A 43 -6.200 -1.169 4.336 1.00 0.00 N ATOM 634 CA ALA A 43 -6.794 -1.283 2.978 1.00 0.00 C ATOM 635 C ALA A 43 -6.330 -2.584 2.344 1.00 0.00 C ATOM 636 O ALA A 43 -6.927 -3.071 1.407 1.00 0.00 O ATOM 637 CB ALA A 43 -6.267 -0.076 2.202 1.00 0.00 C ATOM 0 H ALA A 43 -5.366 -0.585 4.401 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.884 -1.294 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.665 -0.094 1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.581 0.842 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.178 -0.114 2.165 1.00 0.00 H new ATOM 643 N LEU A 44 -5.289 -3.178 2.865 1.00 0.00 N ATOM 644 CA LEU A 44 -4.834 -4.454 2.298 1.00 0.00 C ATOM 645 C LEU A 44 -5.930 -5.463 2.525 1.00 0.00 C ATOM 646 O LEU A 44 -6.109 -6.392 1.764 1.00 0.00 O ATOM 647 CB LEU A 44 -3.572 -4.849 3.040 1.00 0.00 C ATOM 648 CG LEU A 44 -2.956 -6.039 2.310 1.00 0.00 C ATOM 649 CD1 LEU A 44 -1.536 -6.301 2.803 1.00 0.00 C ATOM 650 CD2 LEU A 44 -3.811 -7.281 2.553 1.00 0.00 C ATOM 0 H LEU A 44 -4.745 -2.828 3.654 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.621 -4.390 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.871 -4.015 3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.802 -5.111 4.073 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.920 -5.812 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.117 -7.154 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.920 -5.420 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.556 -6.516 3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.372 -8.132 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.852 -7.491 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.820 -7.107 2.179 1.00 0.00 H new ATOM 662 N ASP A 45 -6.708 -5.265 3.548 1.00 0.00 N ATOM 663 CA ASP A 45 -7.826 -6.192 3.784 1.00 0.00 C ATOM 664 C ASP A 45 -8.583 -6.314 2.465 1.00 0.00 C ATOM 665 O ASP A 45 -9.190 -7.321 2.158 1.00 0.00 O ATOM 666 CB ASP A 45 -8.647 -5.535 4.913 1.00 0.00 C ATOM 667 CG ASP A 45 -9.860 -4.790 4.341 1.00 0.00 C ATOM 668 OD1 ASP A 45 -10.814 -5.452 3.969 1.00 0.00 O ATOM 669 OD2 ASP A 45 -9.811 -3.573 4.287 1.00 0.00 O ATOM 0 H ASP A 45 -6.614 -4.505 4.222 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.548 -7.201 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.981 -6.297 5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.018 -4.841 5.470 1.00 0.00 H new ATOM 674 N THR A 46 -8.490 -5.290 1.665 1.00 0.00 N ATOM 675 CA THR A 46 -9.127 -5.309 0.335 1.00 0.00 C ATOM 676 C THR A 46 -8.118 -5.846 -0.673 1.00 0.00 C ATOM 677 O THR A 46 -8.468 -6.450 -1.667 1.00 0.00 O ATOM 678 CB THR A 46 -9.498 -3.838 0.046 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.737 -3.795 -0.647 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.412 -3.150 -0.807 1.00 0.00 C ATOM 0 H THR A 46 -7.989 -4.430 1.887 1.00 0.00 H new ATOM 0 HA THR A 46 -10.011 -5.944 0.280 1.00 0.00 H new ATOM 0 HB THR A 46 -9.578 -3.308 0.995 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.977 -2.863 -0.831 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.699 -2.115 -0.996 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.462 -3.172 -0.273 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.307 -3.676 -1.756 1.00 0.00 H new ATOM 688 N ILE A 47 -6.863 -5.627 -0.410 1.00 0.00 N ATOM 689 CA ILE A 47 -5.821 -6.109 -1.320 1.00 0.00 C ATOM 690 C ILE A 47 -5.563 -7.588 -1.069 1.00 0.00 C ATOM 691 O ILE A 47 -5.022 -8.268 -1.906 1.00 0.00 O ATOM 692 CB ILE A 47 -4.620 -5.274 -0.974 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.026 -3.806 -0.981 1.00 0.00 C ATOM 694 CG2 ILE A 47 -3.544 -5.494 -2.018 1.00 0.00 C ATOM 695 CD1 ILE A 47 -5.828 -3.491 -2.248 1.00 0.00 C ATOM 0 H ILE A 47 -6.522 -5.127 0.411 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.088 -6.019 -2.373 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.242 -5.554 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.623 -3.581 -0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.139 -3.174 -0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.670 -4.891 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.264 -6.547 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.923 -5.202 -2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.114 -2.439 -2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.217 -3.698 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.724 -4.111 -2.275 1.00 0.00 H new ATOM 707 N GLN A 48 -5.956 -8.105 0.072 1.00 0.00 N ATOM 708 CA GLN A 48 -5.737 -9.544 0.314 1.00 0.00 C ATOM 709 C GLN A 48 -6.963 -10.326 -0.149 1.00 0.00 C ATOM 710 O GLN A 48 -6.978 -11.541 -0.137 1.00 0.00 O ATOM 711 CB GLN A 48 -5.507 -9.712 1.803 1.00 0.00 C ATOM 712 CG GLN A 48 -4.108 -10.300 2.021 1.00 0.00 C ATOM 713 CD GLN A 48 -4.089 -11.764 1.560 1.00 0.00 C ATOM 714 OE1 GLN A 48 -4.756 -12.599 2.139 1.00 0.00 O ATOM 715 NE2 GLN A 48 -3.349 -12.121 0.536 1.00 0.00 N ATOM 0 H GLN A 48 -6.411 -7.593 0.828 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.877 -9.922 -0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.596 -8.751 2.310 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.264 -10.369 2.230 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.369 -9.723 1.465 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.835 -10.236 3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.787 -11.425 0.046 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.336 -13.094 0.231 1.00 0.00 H new ATOM 724 N TYR A 49 -7.981 -9.634 -0.596 1.00 0.00 N ATOM 725 CA TYR A 49 -9.186 -10.337 -1.103 1.00 0.00 C ATOM 726 C TYR A 49 -9.824 -11.161 0.021 1.00 0.00 C ATOM 727 O TYR A 49 -9.342 -12.218 0.376 1.00 0.00 O ATOM 728 CB TYR A 49 -8.640 -11.248 -2.202 1.00 0.00 C ATOM 729 CG TYR A 49 -7.563 -10.535 -3.000 1.00 0.00 C ATOM 730 CD1 TYR A 49 -7.908 -9.577 -3.961 1.00 0.00 C ATOM 731 CD2 TYR A 49 -6.213 -10.830 -2.760 1.00 0.00 C ATOM 732 CE1 TYR A 49 -6.902 -8.916 -4.682 1.00 0.00 C ATOM 733 CE2 TYR A 49 -5.209 -10.172 -3.479 1.00 0.00 C ATOM 734 CZ TYR A 49 -5.553 -9.215 -4.440 1.00 0.00 C ATOM 735 OH TYR A 49 -4.565 -8.564 -5.150 1.00 0.00 O ATOM 0 H TYR A 49 -8.025 -8.615 -0.629 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.958 -9.660 -1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.231 -12.156 -1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.450 -11.553 -2.865 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.947 -9.347 -4.147 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.947 -11.568 -2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.166 -8.177 -5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.170 -10.402 -3.293 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.138 -9.193 -5.768 1.00 0.00 H new ATOM 745 N SER A 50 -10.900 -10.685 0.585 1.00 0.00 N ATOM 746 CA SER A 50 -11.558 -11.444 1.688 1.00 0.00 C ATOM 747 C SER A 50 -13.047 -11.645 1.389 1.00 0.00 C ATOM 748 O SER A 50 -13.895 -11.391 2.222 1.00 0.00 O ATOM 749 CB SER A 50 -11.374 -10.570 2.929 1.00 0.00 C ATOM 750 OG SER A 50 -10.762 -11.339 3.956 1.00 0.00 O ATOM 0 H SER A 50 -11.351 -9.806 0.331 1.00 0.00 H new ATOM 0 HA SER A 50 -11.128 -12.437 1.817 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.757 -9.704 2.690 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.338 -10.191 3.268 1.00 0.00 H new ATOM 0 HG SER A 50 -10.640 -10.782 4.753 1.00 0.00 H new ATOM 756 N LYS A 51 -13.369 -12.107 0.211 1.00 0.00 N ATOM 757 CA LYS A 51 -14.802 -12.332 -0.142 1.00 0.00 C ATOM 758 C LYS A 51 -15.670 -11.187 0.389 1.00 0.00 C ATOM 759 O LYS A 51 -16.456 -11.361 1.300 1.00 0.00 O ATOM 760 CB LYS A 51 -15.175 -13.647 0.542 1.00 0.00 C ATOM 761 CG LYS A 51 -14.921 -14.810 -0.418 1.00 0.00 C ATOM 762 CD LYS A 51 -13.608 -15.501 -0.049 1.00 0.00 C ATOM 763 CE LYS A 51 -13.784 -17.019 -0.140 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.894 -17.574 0.917 1.00 0.00 N ATOM 0 H LYS A 51 -12.701 -12.339 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.958 -12.372 -1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.587 -13.776 1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.223 -13.630 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.745 -15.522 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.876 -14.445 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.813 -15.176 -0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.308 -15.219 0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.822 -17.307 0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.505 -17.390 -1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.960 -18.612 0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.912 -17.290 0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.188 -17.209 1.845 1.00 0.00 H new ATOM 778 N HIS A 52 -15.537 -10.017 -0.175 1.00 0.00 N ATOM 779 CA HIS A 52 -16.357 -8.865 0.299 1.00 0.00 C ATOM 780 C HIS A 52 -17.816 -9.293 0.479 1.00 0.00 C ATOM 781 O HIS A 52 -18.262 -10.136 -0.282 1.00 0.00 O ATOM 782 CB HIS A 52 -16.238 -7.815 -0.806 1.00 0.00 C ATOM 783 CG HIS A 52 -16.896 -6.538 -0.357 1.00 0.00 C ATOM 784 ND1 HIS A 52 -17.367 -5.594 -1.256 1.00 0.00 N ATOM 785 CD2 HIS A 52 -17.167 -6.036 0.892 1.00 0.00 C ATOM 786 CE1 HIS A 52 -17.893 -4.581 -0.541 1.00 0.00 C ATOM 787 NE2 HIS A 52 -17.797 -4.801 0.773 1.00 0.00 N ATOM 788 OXT HIS A 52 -18.460 -8.772 1.375 1.00 0.00 O ATOM 0 H HIS A 52 -14.897 -9.809 -0.942 1.00 0.00 H new ATOM 0 HA HIS A 52 -16.018 -8.484 1.262 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -15.189 -7.634 -1.039 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -16.709 -8.178 -1.720 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -16.928 -6.525 1.825 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -18.338 -3.699 -0.977 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -18.117 -4.194 1.528 1.00 0.00 H new TER 796 HIS A 52