USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 388 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 15 ASN : amide:sc= -2.89! C(o=-4.7!,f=-2.9!) USER MOD Set 1.2: A 52 ASN : amide:sc= -1.78! C(o=-4.7!,f=-2.9!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 21 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.7!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0.66 USER MOD Single : A 24 TYR OH : rot 180:sc= -3.25! USER MOD Single : A 25 CYS SG : rot -172:sc= -1.65 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 31 THR OG1 : rot -3:sc= 0.645! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 89:sc= 0.0859 USER MOD Single : A 50 GLN : amide:sc= -0.828 X(o=-0.83,f=-0.57) USER MOD Single : A 57 SER OG : rot -47:sc= 0.308 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.00019) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 6.426 5.547 10.742 1.00 0.00 N ATOM 2 CA ASP A 11 5.125 4.865 10.939 1.00 0.00 C ATOM 3 C ASP A 11 4.406 4.737 9.600 1.00 0.00 C ATOM 4 O ASP A 11 3.660 5.604 9.190 1.00 0.00 O ATOM 5 CB ASP A 11 4.264 5.677 11.894 1.00 0.00 C ATOM 6 CG ASP A 11 4.020 7.072 11.315 1.00 0.00 C ATOM 7 OD1 ASP A 11 4.732 7.445 10.396 1.00 0.00 O ATOM 8 OD2 ASP A 11 3.124 7.745 11.799 1.00 0.00 O ATOM 0 HA ASP A 11 5.299 3.873 11.356 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.313 5.171 12.060 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.756 5.757 12.863 1.00 0.00 H new ATOM 13 N LEU A 12 4.622 3.655 8.919 1.00 0.00 N ATOM 14 CA LEU A 12 3.953 3.451 7.608 1.00 0.00 C ATOM 15 C LEU A 12 2.524 2.952 7.862 1.00 0.00 C ATOM 16 O LEU A 12 2.276 2.270 8.838 1.00 0.00 O ATOM 17 CB LEU A 12 4.726 2.395 6.809 1.00 0.00 C ATOM 18 CG LEU A 12 6.213 2.761 6.756 1.00 0.00 C ATOM 19 CD1 LEU A 12 6.961 1.703 5.939 1.00 0.00 C ATOM 20 CD2 LEU A 12 6.386 4.139 6.099 1.00 0.00 C ATOM 0 H LEU A 12 5.237 2.896 9.214 1.00 0.00 H new ATOM 0 HA LEU A 12 3.928 4.385 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.601 1.415 7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.324 2.326 5.798 1.00 0.00 H new ATOM 0 HG LEU A 12 6.617 2.797 7.768 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.020 1.957 5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.840 0.727 6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.555 1.670 4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.445 4.395 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.985 4.112 5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.851 4.889 6.681 1.00 0.00 H new ATOM 32 N PRO A 13 1.585 3.278 7.008 1.00 0.00 N ATOM 33 CA PRO A 13 0.173 2.834 7.185 1.00 0.00 C ATOM 34 C PRO A 13 0.064 1.302 7.166 1.00 0.00 C ATOM 35 O PRO A 13 0.958 0.618 6.711 1.00 0.00 O ATOM 36 CB PRO A 13 -0.581 3.473 6.001 1.00 0.00 C ATOM 37 CG PRO A 13 0.476 3.821 4.995 1.00 0.00 C ATOM 38 CD PRO A 13 1.752 4.093 5.792 1.00 0.00 C ATOM 0 HA PRO A 13 -0.241 3.139 8.146 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.310 2.781 5.581 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.129 4.360 6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.625 3.004 4.289 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.187 4.696 4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.642 3.802 5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.857 5.151 6.031 1.00 0.00 H new ATOM 46 N PRO A 14 -1.020 0.772 7.669 1.00 0.00 N ATOM 47 CA PRO A 14 -1.245 -0.703 7.722 1.00 0.00 C ATOM 48 C PRO A 14 -1.416 -1.315 6.326 1.00 0.00 C ATOM 49 O PRO A 14 -1.810 -0.648 5.392 1.00 0.00 O ATOM 50 CB PRO A 14 -2.531 -0.846 8.555 1.00 0.00 C ATOM 51 CG PRO A 14 -3.244 0.453 8.375 1.00 0.00 C ATOM 52 CD PRO A 14 -2.156 1.517 8.234 1.00 0.00 C ATOM 0 HA PRO A 14 -0.395 -1.232 8.153 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.137 -1.682 8.207 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.304 -1.031 9.605 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.882 0.428 7.492 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.889 0.665 9.228 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.470 2.328 7.578 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.905 1.964 9.196 1.00 0.00 H new ATOM 60 N ASN A 15 -1.123 -2.584 6.189 1.00 0.00 N ATOM 61 CA ASN A 15 -1.265 -3.266 4.867 1.00 0.00 C ATOM 62 C ASN A 15 -0.145 -2.820 3.918 1.00 0.00 C ATOM 63 O ASN A 15 0.109 -3.451 2.910 1.00 0.00 O ATOM 64 CB ASN A 15 -2.640 -2.942 4.257 1.00 0.00 C ATOM 65 CG ASN A 15 -3.675 -2.810 5.377 1.00 0.00 C ATOM 66 OD1 ASN A 15 -3.864 -3.724 6.156 1.00 0.00 O ATOM 67 ND2 ASN A 15 -4.359 -1.704 5.494 1.00 0.00 N ATOM 0 H ASN A 15 -0.788 -3.182 6.944 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.188 -4.343 5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.587 -2.016 3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.937 -3.729 3.563 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.050 -1.608 6.238 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.202 -0.936 4.842 1.00 0.00 H new ATOM 74 N LEU A 16 0.534 -1.743 4.232 1.00 0.00 N ATOM 75 CA LEU A 16 1.647 -1.257 3.349 1.00 0.00 C ATOM 76 C LEU A 16 2.987 -1.654 3.972 1.00 0.00 C ATOM 77 O LEU A 16 3.171 -1.585 5.170 1.00 0.00 O ATOM 78 CB LEU A 16 1.554 0.270 3.216 1.00 0.00 C ATOM 79 CG LEU A 16 2.613 0.798 2.220 1.00 0.00 C ATOM 80 CD1 LEU A 16 2.106 0.668 0.780 1.00 0.00 C ATOM 81 CD2 LEU A 16 2.898 2.274 2.508 1.00 0.00 C ATOM 0 H LEU A 16 0.367 -1.177 5.064 1.00 0.00 H new ATOM 0 HA LEU A 16 1.566 -1.705 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.557 0.550 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.701 0.735 4.191 1.00 0.00 H new ATOM 0 HG LEU A 16 3.522 0.208 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.863 1.044 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.903 -0.380 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.190 1.247 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.644 2.644 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.979 2.850 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.274 2.380 3.526 1.00 0.00 H new ATOM 93 N TYR A 17 3.920 -2.080 3.155 1.00 0.00 N ATOM 94 CA TYR A 17 5.261 -2.504 3.669 1.00 0.00 C ATOM 95 C TYR A 17 6.358 -1.702 2.982 1.00 0.00 C ATOM 96 O TYR A 17 6.103 -0.752 2.267 1.00 0.00 O ATOM 97 CB TYR A 17 5.480 -3.981 3.344 1.00 0.00 C ATOM 98 CG TYR A 17 4.393 -4.805 3.978 1.00 0.00 C ATOM 99 CD1 TYR A 17 3.183 -5.006 3.305 1.00 0.00 C ATOM 100 CD2 TYR A 17 4.600 -5.369 5.236 1.00 0.00 C ATOM 101 CE1 TYR A 17 2.175 -5.775 3.895 1.00 0.00 C ATOM 102 CE2 TYR A 17 3.593 -6.140 5.831 1.00 0.00 C ATOM 103 CZ TYR A 17 2.379 -6.344 5.159 1.00 0.00 C ATOM 104 OH TYR A 17 1.387 -7.104 5.744 1.00 0.00 O ATOM 0 H TYR A 17 3.809 -2.153 2.144 1.00 0.00 H new ATOM 0 HA TYR A 17 5.295 -2.337 4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.480 -4.130 2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.455 -4.303 3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.028 -4.567 2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.536 -5.212 5.751 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.240 -5.930 3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.751 -6.577 6.806 1.00 0.00 H new ATOM 0 HH TYR A 17 1.693 -7.424 6.618 1.00 0.00 H new ATOM 114 N ILE A 18 7.587 -2.100 3.187 1.00 0.00 N ATOM 115 CA ILE A 18 8.736 -1.393 2.541 1.00 0.00 C ATOM 116 C ILE A 18 9.753 -2.448 2.084 1.00 0.00 C ATOM 117 O ILE A 18 10.079 -3.365 2.813 1.00 0.00 O ATOM 118 CB ILE A 18 9.358 -0.392 3.560 1.00 0.00 C ATOM 119 CG1 ILE A 18 9.648 0.958 2.879 1.00 0.00 C ATOM 120 CG2 ILE A 18 10.655 -0.930 4.190 1.00 0.00 C ATOM 121 CD1 ILE A 18 10.633 0.794 1.711 1.00 0.00 C ATOM 0 H ILE A 18 7.847 -2.890 3.778 1.00 0.00 H new ATOM 0 HA ILE A 18 8.412 -0.822 1.671 1.00 0.00 H new ATOM 0 HB ILE A 18 8.626 -0.258 4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.717 1.391 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.059 1.655 3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.050 -0.196 4.893 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.445 -1.861 4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.390 -1.115 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.817 1.765 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.572 0.384 2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.209 0.116 0.970 1.00 0.00 H new ATOM 133 N ARG A 19 10.247 -2.337 0.883 1.00 0.00 N ATOM 134 CA ARG A 19 11.234 -3.348 0.386 1.00 0.00 C ATOM 135 C ARG A 19 12.656 -2.888 0.706 1.00 0.00 C ATOM 136 O ARG A 19 12.933 -1.709 0.803 1.00 0.00 O ATOM 137 CB ARG A 19 11.087 -3.507 -1.128 1.00 0.00 C ATOM 138 CG ARG A 19 9.716 -4.106 -1.456 1.00 0.00 C ATOM 139 CD ARG A 19 9.705 -4.612 -2.907 1.00 0.00 C ATOM 140 NE ARG A 19 10.657 -3.801 -3.720 1.00 0.00 N ATOM 141 CZ ARG A 19 11.017 -4.205 -4.907 1.00 0.00 C ATOM 142 NH1 ARG A 19 10.536 -5.315 -5.392 1.00 0.00 N ATOM 143 NH2 ARG A 19 11.861 -3.498 -5.608 1.00 0.00 N ATOM 0 H ARG A 19 10.014 -1.595 0.223 1.00 0.00 H new ATOM 0 HA ARG A 19 11.042 -4.302 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.198 -2.539 -1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.877 -4.151 -1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.494 -4.926 -0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.938 -3.356 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.987 -5.664 -2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.700 -4.538 -3.322 1.00 0.00 H new ATOM 0 HE ARG A 19 11.028 -2.927 -3.346 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.878 -5.868 -4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.818 -5.630 -6.320 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.239 -2.630 -5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.143 -3.813 -6.536 1.00 0.00 H new ATOM 157 N ASN A 20 13.565 -3.812 0.863 1.00 0.00 N ATOM 158 CA ASN A 20 14.970 -3.427 1.165 1.00 0.00 C ATOM 159 C ASN A 20 15.488 -2.524 0.046 1.00 0.00 C ATOM 160 O ASN A 20 16.533 -1.914 0.157 1.00 0.00 O ATOM 161 CB ASN A 20 15.838 -4.683 1.252 1.00 0.00 C ATOM 162 CG ASN A 20 15.435 -5.499 2.483 1.00 0.00 C ATOM 163 OD1 ASN A 20 15.619 -5.063 3.602 1.00 0.00 O ATOM 164 ND2 ASN A 20 14.891 -6.673 2.321 1.00 0.00 N ATOM 0 H ASN A 20 13.394 -4.815 0.795 1.00 0.00 H new ATOM 0 HA ASN A 20 15.011 -2.897 2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 20 15.719 -5.283 0.350 1.00 0.00 H new ATOM 0 HB3 ASN A 20 16.891 -4.407 1.314 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.620 -7.226 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.737 -7.038 1.381 1.00 0.00 H new ATOM 171 N ASN A 21 14.758 -2.434 -1.034 1.00 0.00 N ATOM 172 CA ASN A 21 15.190 -1.572 -2.166 1.00 0.00 C ATOM 173 C ASN A 21 14.622 -0.168 -1.961 1.00 0.00 C ATOM 174 O ASN A 21 14.822 0.721 -2.765 1.00 0.00 O ATOM 175 CB ASN A 21 14.645 -2.155 -3.468 1.00 0.00 C ATOM 176 CG ASN A 21 15.305 -3.509 -3.739 1.00 0.00 C ATOM 177 OD1 ASN A 21 16.327 -3.825 -3.162 1.00 0.00 O ATOM 178 ND2 ASN A 21 14.760 -4.328 -4.597 1.00 0.00 N ATOM 0 H ASN A 21 13.876 -2.925 -1.179 1.00 0.00 H new ATOM 0 HA ASN A 21 16.278 -1.526 -2.212 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.563 -2.273 -3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.841 -1.472 -4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.192 -5.233 -4.783 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.902 -4.063 -5.081 1.00 0.00 H new ATOM 185 N GLY A 22 13.911 0.036 -0.886 1.00 0.00 N ATOM 186 CA GLY A 22 13.325 1.377 -0.619 1.00 0.00 C ATOM 187 C GLY A 22 12.028 1.529 -1.417 1.00 0.00 C ATOM 188 O GLY A 22 11.409 2.575 -1.423 1.00 0.00 O ATOM 0 H GLY A 22 13.711 -0.672 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.126 1.494 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.032 2.158 -0.899 1.00 0.00 H new ATOM 192 N TYR A 23 11.609 0.489 -2.089 1.00 0.00 N ATOM 193 CA TYR A 23 10.350 0.565 -2.887 1.00 0.00 C ATOM 194 C TYR A 23 9.168 0.230 -1.973 1.00 0.00 C ATOM 195 O TYR A 23 9.179 -0.757 -1.265 1.00 0.00 O ATOM 196 CB TYR A 23 10.421 -0.455 -4.043 1.00 0.00 C ATOM 197 CG TYR A 23 10.932 0.205 -5.307 1.00 0.00 C ATOM 198 CD1 TYR A 23 12.281 0.559 -5.413 1.00 0.00 C ATOM 199 CD2 TYR A 23 10.056 0.456 -6.371 1.00 0.00 C ATOM 200 CE1 TYR A 23 12.755 1.163 -6.583 1.00 0.00 C ATOM 201 CE2 TYR A 23 10.529 1.060 -7.540 1.00 0.00 C ATOM 202 CZ TYR A 23 11.879 1.413 -7.646 1.00 0.00 C ATOM 203 OH TYR A 23 12.345 2.009 -8.800 1.00 0.00 O ATOM 0 H TYR A 23 12.086 -0.412 -2.120 1.00 0.00 H new ATOM 0 HA TYR A 23 10.223 1.566 -3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.077 -1.280 -3.767 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.433 -0.879 -4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.956 0.366 -4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.014 0.183 -6.288 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.797 1.436 -6.666 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.853 1.254 -8.360 1.00 0.00 H new ATOM 0 HH TYR A 23 11.607 2.109 -9.437 1.00 0.00 H new ATOM 213 N TYR A 24 8.147 1.038 -1.992 1.00 0.00 N ATOM 214 CA TYR A 24 6.964 0.758 -1.130 1.00 0.00 C ATOM 215 C TYR A 24 6.065 -0.259 -1.835 1.00 0.00 C ATOM 216 O TYR A 24 6.069 -0.367 -3.045 1.00 0.00 O ATOM 217 CB TYR A 24 6.183 2.052 -0.911 1.00 0.00 C ATOM 218 CG TYR A 24 6.954 2.960 0.014 1.00 0.00 C ATOM 219 CD1 TYR A 24 6.849 2.795 1.398 1.00 0.00 C ATOM 220 CD2 TYR A 24 7.768 3.969 -0.513 1.00 0.00 C ATOM 221 CE1 TYR A 24 7.560 3.642 2.259 1.00 0.00 C ATOM 222 CE2 TYR A 24 8.479 4.814 0.346 1.00 0.00 C ATOM 223 CZ TYR A 24 8.374 4.652 1.732 1.00 0.00 C ATOM 224 OH TYR A 24 9.077 5.484 2.578 1.00 0.00 O ATOM 0 H TYR A 24 8.079 1.879 -2.565 1.00 0.00 H new ATOM 0 HA TYR A 24 7.291 0.361 -0.169 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.011 2.550 -1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.204 1.830 -0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.221 2.016 1.803 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.847 4.095 -1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.480 3.516 3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.109 5.591 -0.061 1.00 0.00 H new ATOM 0 HH TYR A 24 9.593 6.128 2.049 1.00 0.00 H new ATOM 234 N CYS A 25 5.294 -1.011 -1.094 1.00 0.00 N ATOM 235 CA CYS A 25 4.402 -2.023 -1.744 1.00 0.00 C ATOM 236 C CYS A 25 3.147 -2.247 -0.888 1.00 0.00 C ATOM 237 O CYS A 25 3.221 -2.379 0.317 1.00 0.00 O ATOM 238 CB CYS A 25 5.174 -3.342 -1.911 1.00 0.00 C ATOM 239 SG CYS A 25 4.643 -4.168 -3.431 1.00 0.00 S ATOM 0 H CYS A 25 5.241 -0.971 -0.076 1.00 0.00 H new ATOM 0 HA CYS A 25 4.091 -1.659 -2.723 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.246 -3.146 -1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.997 -3.990 -1.052 1.00 0.00 H new ATOM 0 HG CYS A 25 5.169 -5.355 -3.486 1.00 0.00 H new ATOM 245 N TYR A 26 1.997 -2.293 -1.515 1.00 0.00 N ATOM 246 CA TYR A 26 0.716 -2.509 -0.764 1.00 0.00 C ATOM 247 C TYR A 26 0.204 -3.922 -1.023 1.00 0.00 C ATOM 248 O TYR A 26 0.384 -4.467 -2.093 1.00 0.00 O ATOM 249 CB TYR A 26 -0.330 -1.505 -1.249 1.00 0.00 C ATOM 250 CG TYR A 26 -1.577 -1.623 -0.409 1.00 0.00 C ATOM 251 CD1 TYR A 26 -2.514 -2.628 -0.681 1.00 0.00 C ATOM 252 CD2 TYR A 26 -1.801 -0.724 0.641 1.00 0.00 C ATOM 253 CE1 TYR A 26 -3.672 -2.734 0.098 1.00 0.00 C ATOM 254 CE2 TYR A 26 -2.960 -0.831 1.418 1.00 0.00 C ATOM 255 CZ TYR A 26 -3.896 -1.835 1.146 1.00 0.00 C ATOM 256 OH TYR A 26 -5.038 -1.939 1.913 1.00 0.00 O ATOM 0 H TYR A 26 1.888 -2.189 -2.524 1.00 0.00 H new ATOM 0 HA TYR A 26 0.895 -2.373 0.302 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.068 -0.492 -1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.567 -1.690 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.343 -3.321 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.080 0.052 0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.393 -3.511 -0.110 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.132 -0.138 2.228 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.037 -1.238 2.598 1.00 0.00 H new ATOM 266 N ARG A 27 -0.439 -4.519 -0.045 1.00 0.00 N ATOM 267 CA ARG A 27 -0.977 -5.911 -0.227 1.00 0.00 C ATOM 268 C ARG A 27 -2.501 -5.875 -0.282 1.00 0.00 C ATOM 269 O ARG A 27 -3.154 -5.375 0.606 1.00 0.00 O ATOM 270 CB ARG A 27 -0.524 -6.804 0.942 1.00 0.00 C ATOM 271 CG ARG A 27 0.841 -7.435 0.618 1.00 0.00 C ATOM 272 CD ARG A 27 1.240 -8.474 1.689 1.00 0.00 C ATOM 273 NE ARG A 27 1.564 -9.761 1.011 1.00 0.00 N ATOM 274 CZ ARG A 27 2.185 -10.707 1.659 1.00 0.00 C ATOM 275 NH1 ARG A 27 2.543 -10.523 2.902 1.00 0.00 N ATOM 276 NH2 ARG A 27 2.453 -11.837 1.065 1.00 0.00 N ATOM 0 H ARG A 27 -0.615 -4.105 0.870 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.593 -6.320 -1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.454 -6.214 1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.262 -7.585 1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.801 -7.913 -0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.601 -6.656 0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.100 -8.119 2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.425 -8.616 2.399 1.00 0.00 H new ATOM 0 HE ARG A 27 1.299 -9.902 0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.337 -9.639 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.029 -11.264 3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.177 -11.981 0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.939 -12.577 1.572 1.00 0.00 H new ATOM 290 N ASP A 28 -3.052 -6.420 -1.328 1.00 0.00 N ATOM 291 CA ASP A 28 -4.541 -6.455 -1.484 1.00 0.00 C ATOM 292 C ASP A 28 -5.135 -7.592 -0.620 1.00 0.00 C ATOM 293 O ASP A 28 -4.911 -8.748 -0.916 1.00 0.00 O ATOM 294 CB ASP A 28 -4.873 -6.726 -2.952 1.00 0.00 C ATOM 295 CG ASP A 28 -6.374 -6.535 -3.176 1.00 0.00 C ATOM 296 OD1 ASP A 28 -7.125 -6.760 -2.241 1.00 0.00 O ATOM 297 OD2 ASP A 28 -6.746 -6.164 -4.276 1.00 0.00 O ATOM 0 H ASP A 28 -2.532 -6.849 -2.094 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.963 -5.502 -1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.309 -6.050 -3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.580 -7.741 -3.221 1.00 0.00 H new ATOM 302 N PRO A 29 -5.892 -7.304 0.431 1.00 0.00 N ATOM 303 CA PRO A 29 -6.491 -8.384 1.282 1.00 0.00 C ATOM 304 C PRO A 29 -7.394 -9.337 0.482 1.00 0.00 C ATOM 305 O PRO A 29 -7.973 -10.254 1.029 1.00 0.00 O ATOM 306 CB PRO A 29 -7.324 -7.620 2.334 1.00 0.00 C ATOM 307 CG PRO A 29 -6.749 -6.244 2.360 1.00 0.00 C ATOM 308 CD PRO A 29 -6.262 -5.963 0.939 1.00 0.00 C ATOM 0 HA PRO A 29 -5.717 -9.017 1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -8.380 -7.601 2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.255 -8.095 3.313 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.498 -5.514 2.667 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.928 -6.178 3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.041 -5.504 0.331 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.411 -5.282 0.933 1.00 0.00 H new ATOM 316 N ARG A 30 -7.528 -9.129 -0.802 1.00 0.00 N ATOM 317 CA ARG A 30 -8.406 -10.028 -1.613 1.00 0.00 C ATOM 318 C ARG A 30 -7.594 -11.221 -2.123 1.00 0.00 C ATOM 319 O ARG A 30 -7.978 -12.361 -1.945 1.00 0.00 O ATOM 320 CB ARG A 30 -8.977 -9.252 -2.804 1.00 0.00 C ATOM 321 CG ARG A 30 -10.019 -10.112 -3.532 1.00 0.00 C ATOM 322 CD ARG A 30 -10.880 -9.221 -4.433 1.00 0.00 C ATOM 323 NE ARG A 30 -10.021 -8.560 -5.454 1.00 0.00 N ATOM 324 CZ ARG A 30 -10.564 -8.014 -6.508 1.00 0.00 C ATOM 325 NH1 ARG A 30 -11.859 -8.058 -6.673 1.00 0.00 N ATOM 326 NH2 ARG A 30 -9.813 -7.427 -7.398 1.00 0.00 N ATOM 0 H ARG A 30 -7.071 -8.380 -1.323 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.224 -10.388 -0.989 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.434 -8.324 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.175 -8.978 -3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.522 -10.877 -4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.648 -10.630 -2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.649 -9.818 -4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.393 -8.469 -3.834 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.009 -8.534 -5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.446 -8.519 -5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.283 -7.631 -7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.802 -7.395 -7.270 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.237 -7.000 -8.222 1.00 0.00 H new ATOM 340 N THR A 31 -6.475 -10.967 -2.754 1.00 0.00 N ATOM 341 CA THR A 31 -5.625 -12.083 -3.283 1.00 0.00 C ATOM 342 C THR A 31 -4.376 -12.226 -2.413 1.00 0.00 C ATOM 343 O THR A 31 -3.646 -13.192 -2.511 1.00 0.00 O ATOM 344 CB THR A 31 -5.211 -11.763 -4.721 1.00 0.00 C ATOM 345 OG1 THR A 31 -4.075 -12.543 -5.070 1.00 0.00 O ATOM 346 CG2 THR A 31 -4.870 -10.277 -4.838 1.00 0.00 C ATOM 0 H THR A 31 -6.110 -10.030 -2.927 1.00 0.00 H new ATOM 0 HA THR A 31 -6.189 -13.015 -3.264 1.00 0.00 H new ATOM 0 HB THR A 31 -6.033 -11.997 -5.397 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.790 -13.070 -4.295 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.575 -10.051 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.743 -9.681 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.048 -10.038 -4.163 1.00 0.00 H new ATOM 354 N GLY A 32 -4.126 -11.272 -1.558 1.00 0.00 N ATOM 355 CA GLY A 32 -2.927 -11.356 -0.678 1.00 0.00 C ATOM 356 C GLY A 32 -1.669 -11.051 -1.491 1.00 0.00 C ATOM 357 O GLY A 32 -0.569 -11.063 -0.976 1.00 0.00 O ATOM 0 H GLY A 32 -4.700 -10.439 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.019 -10.649 0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.855 -12.351 -0.239 1.00 0.00 H new ATOM 361 N LYS A 33 -1.816 -10.777 -2.758 1.00 0.00 N ATOM 362 CA LYS A 33 -0.620 -10.475 -3.592 1.00 0.00 C ATOM 363 C LYS A 33 -0.108 -9.076 -3.230 1.00 0.00 C ATOM 364 O LYS A 33 -0.659 -8.406 -2.378 1.00 0.00 O ATOM 365 CB LYS A 33 -1.008 -10.547 -5.092 1.00 0.00 C ATOM 366 CG LYS A 33 -0.249 -11.682 -5.802 1.00 0.00 C ATOM 367 CD LYS A 33 1.219 -11.278 -6.031 1.00 0.00 C ATOM 368 CE LYS A 33 1.325 -10.191 -7.118 1.00 0.00 C ATOM 369 NZ LYS A 33 2.652 -10.297 -7.788 1.00 0.00 N ATOM 0 H LYS A 33 -2.709 -10.749 -3.250 1.00 0.00 H new ATOM 0 HA LYS A 33 0.169 -11.203 -3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.082 -10.708 -5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.784 -9.596 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.294 -12.591 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.725 -11.906 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.649 -10.910 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.799 -12.152 -6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.525 -10.311 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.206 -9.203 -6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.729 -9.565 -8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.407 -10.163 -7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.747 -11.237 -8.224 1.00 0.00 H new ATOM 383 N GLU A 34 0.948 -8.636 -3.871 1.00 0.00 N ATOM 384 CA GLU A 34 1.518 -7.283 -3.574 1.00 0.00 C ATOM 385 C GLU A 34 1.293 -6.355 -4.769 1.00 0.00 C ATOM 386 O GLU A 34 0.928 -6.788 -5.844 1.00 0.00 O ATOM 387 CB GLU A 34 3.021 -7.414 -3.319 1.00 0.00 C ATOM 388 CG GLU A 34 3.279 -8.548 -2.325 1.00 0.00 C ATOM 389 CD GLU A 34 4.787 -8.725 -2.137 1.00 0.00 C ATOM 390 OE1 GLU A 34 5.438 -9.126 -3.088 1.00 0.00 O ATOM 391 OE2 GLU A 34 5.266 -8.456 -1.048 1.00 0.00 O ATOM 0 H GLU A 34 1.443 -9.160 -4.593 1.00 0.00 H new ATOM 0 HA GLU A 34 1.026 -6.869 -2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.542 -7.613 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.416 -6.477 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.806 -8.323 -1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.836 -9.474 -2.690 1.00 0.00 H new ATOM 398 N PHE A 35 1.517 -5.079 -4.586 1.00 0.00 N ATOM 399 CA PHE A 35 1.327 -4.100 -5.701 1.00 0.00 C ATOM 400 C PHE A 35 2.480 -3.087 -5.673 1.00 0.00 C ATOM 401 O PHE A 35 2.617 -2.312 -4.747 1.00 0.00 O ATOM 402 CB PHE A 35 -0.015 -3.365 -5.511 1.00 0.00 C ATOM 403 CG PHE A 35 -1.130 -4.118 -6.209 1.00 0.00 C ATOM 404 CD1 PHE A 35 -1.630 -5.304 -5.657 1.00 0.00 C ATOM 405 CD2 PHE A 35 -1.659 -3.629 -7.411 1.00 0.00 C ATOM 406 CE1 PHE A 35 -2.659 -6.000 -6.305 1.00 0.00 C ATOM 407 CE2 PHE A 35 -2.688 -4.324 -8.058 1.00 0.00 C ATOM 408 CZ PHE A 35 -3.187 -5.511 -7.505 1.00 0.00 C ATOM 0 H PHE A 35 1.826 -4.669 -3.705 1.00 0.00 H new ATOM 0 HA PHE A 35 1.319 -4.621 -6.659 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.239 -3.272 -4.448 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.056 -2.354 -5.911 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.222 -5.682 -4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.273 -2.716 -7.839 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.045 -6.914 -5.878 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.097 -3.945 -8.983 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.979 -6.048 -8.005 1.00 0.00 H new ATOM 418 N GLY A 36 3.308 -3.091 -6.683 1.00 0.00 N ATOM 419 CA GLY A 36 4.448 -2.131 -6.719 1.00 0.00 C ATOM 420 C GLY A 36 3.919 -0.712 -6.941 1.00 0.00 C ATOM 421 O GLY A 36 3.172 -0.458 -7.865 1.00 0.00 O ATOM 0 H GLY A 36 3.244 -3.718 -7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.007 -2.179 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.139 -2.401 -7.518 1.00 0.00 H new ATOM 425 N LEU A 37 4.305 0.212 -6.097 1.00 0.00 N ATOM 426 CA LEU A 37 3.837 1.628 -6.238 1.00 0.00 C ATOM 427 C LEU A 37 4.997 2.496 -6.729 1.00 0.00 C ATOM 428 O LEU A 37 4.868 3.255 -7.669 1.00 0.00 O ATOM 429 CB LEU A 37 3.364 2.143 -4.871 1.00 0.00 C ATOM 430 CG LEU A 37 2.537 1.065 -4.168 1.00 0.00 C ATOM 431 CD1 LEU A 37 2.031 1.602 -2.827 1.00 0.00 C ATOM 432 CD2 LEU A 37 1.343 0.677 -5.047 1.00 0.00 C ATOM 0 H LEU A 37 4.930 0.045 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 37 3.015 1.674 -6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.223 2.413 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.767 3.046 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 37 3.160 0.187 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.442 0.834 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.880 1.874 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.410 2.481 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.755 -0.091 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.720 1.554 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.703 0.292 -6.001 1.00 0.00 H new ATOM 444 N GLY A 38 6.130 2.391 -6.089 1.00 0.00 N ATOM 445 CA GLY A 38 7.313 3.207 -6.497 1.00 0.00 C ATOM 446 C GLY A 38 8.064 3.651 -5.242 1.00 0.00 C ATOM 447 O GLY A 38 7.738 3.253 -4.142 1.00 0.00 O ATOM 0 H GLY A 38 6.289 1.771 -5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.969 2.623 -7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.992 4.076 -7.071 1.00 0.00 H new ATOM 451 N ARG A 39 9.067 4.472 -5.392 1.00 0.00 N ATOM 452 CA ARG A 39 9.837 4.942 -4.207 1.00 0.00 C ATOM 453 C ARG A 39 9.207 6.239 -3.689 1.00 0.00 C ATOM 454 O ARG A 39 9.778 6.941 -2.879 1.00 0.00 O ATOM 455 CB ARG A 39 11.287 5.224 -4.620 1.00 0.00 C ATOM 456 CG ARG A 39 11.740 4.257 -5.723 1.00 0.00 C ATOM 457 CD ARG A 39 13.129 4.673 -6.205 1.00 0.00 C ATOM 458 NE ARG A 39 13.470 3.935 -7.454 1.00 0.00 N ATOM 459 CZ ARG A 39 14.463 4.337 -8.201 1.00 0.00 C ATOM 460 NH1 ARG A 39 15.163 5.380 -7.849 1.00 0.00 N ATOM 461 NH2 ARG A 39 14.756 3.692 -9.298 1.00 0.00 N ATOM 0 H ARG A 39 9.387 4.839 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 39 9.819 4.178 -3.430 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.376 6.252 -4.973 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.942 5.127 -3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.763 3.236 -5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.033 4.273 -6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.154 5.747 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.870 4.463 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 39 12.927 3.115 -7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.935 5.881 -6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.939 5.694 -8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.210 2.875 -9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.531 4.005 -9.882 1.00 0.00 H new ATOM 475 N ASP A 40 8.046 6.570 -4.175 1.00 0.00 N ATOM 476 CA ASP A 40 7.382 7.836 -3.743 1.00 0.00 C ATOM 477 C ASP A 40 6.474 7.576 -2.539 1.00 0.00 C ATOM 478 O ASP A 40 5.329 7.190 -2.674 1.00 0.00 O ATOM 479 CB ASP A 40 6.539 8.375 -4.899 1.00 0.00 C ATOM 480 CG ASP A 40 7.450 8.729 -6.076 1.00 0.00 C ATOM 481 OD1 ASP A 40 8.251 9.638 -5.926 1.00 0.00 O ATOM 482 OD2 ASP A 40 7.333 8.086 -7.105 1.00 0.00 O ATOM 0 H ASP A 40 7.523 6.018 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 40 8.145 8.561 -3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.805 7.630 -5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.984 9.256 -4.578 1.00 0.00 H new ATOM 487 N ARG A 41 6.982 7.813 -1.361 1.00 0.00 N ATOM 488 CA ARG A 41 6.174 7.618 -0.125 1.00 0.00 C ATOM 489 C ARG A 41 4.911 8.477 -0.223 1.00 0.00 C ATOM 490 O ARG A 41 3.935 8.258 0.469 1.00 0.00 O ATOM 491 CB ARG A 41 7.027 8.057 1.075 1.00 0.00 C ATOM 492 CG ARG A 41 6.172 8.162 2.337 1.00 0.00 C ATOM 493 CD ARG A 41 7.077 8.418 3.545 1.00 0.00 C ATOM 494 NE ARG A 41 7.929 7.222 3.794 1.00 0.00 N ATOM 495 CZ ARG A 41 8.984 7.321 4.558 1.00 0.00 C ATOM 496 NH1 ARG A 41 9.296 8.469 5.095 1.00 0.00 N ATOM 497 NH2 ARG A 41 9.727 6.272 4.781 1.00 0.00 N ATOM 0 H ARG A 41 7.936 8.138 -1.201 1.00 0.00 H new ATOM 0 HA ARG A 41 5.883 6.574 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.834 7.342 1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.492 9.020 0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.448 8.971 2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.604 7.243 2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.703 9.292 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.472 8.636 4.425 1.00 0.00 H new ATOM 0 HE ARG A 41 7.689 6.327 3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.716 9.289 4.918 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.120 8.546 5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.484 5.376 4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.551 6.348 5.377 1.00 0.00 H new ATOM 511 N ARG A 42 4.931 9.456 -1.082 1.00 0.00 N ATOM 512 CA ARG A 42 3.751 10.344 -1.251 1.00 0.00 C ATOM 513 C ARG A 42 2.687 9.620 -2.071 1.00 0.00 C ATOM 514 O ARG A 42 1.536 9.542 -1.690 1.00 0.00 O ATOM 515 CB ARG A 42 4.168 11.629 -1.982 1.00 0.00 C ATOM 516 CG ARG A 42 5.484 12.166 -1.407 1.00 0.00 C ATOM 517 CD ARG A 42 5.274 12.612 0.043 1.00 0.00 C ATOM 518 NE ARG A 42 6.470 13.371 0.508 1.00 0.00 N ATOM 519 CZ ARG A 42 6.398 14.114 1.578 1.00 0.00 C ATOM 520 NH1 ARG A 42 5.273 14.207 2.232 1.00 0.00 N ATOM 521 NH2 ARG A 42 7.450 14.768 1.992 1.00 0.00 N ATOM 0 H ARG A 42 5.725 9.681 -1.681 1.00 0.00 H new ATOM 0 HA ARG A 42 3.350 10.600 -0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.284 11.428 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.386 12.382 -1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.253 11.394 -1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.838 13.004 -2.007 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.383 13.235 0.117 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.110 11.744 0.682 1.00 0.00 H new ATOM 0 HE ARG A 42 7.346 13.309 -0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.450 13.699 1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.216 14.788 3.069 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.329 14.698 1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.393 15.349 2.829 1.00 0.00 H new ATOM 535 N ILE A 43 3.068 9.105 -3.207 1.00 0.00 N ATOM 536 CA ILE A 43 2.087 8.399 -4.072 1.00 0.00 C ATOM 537 C ILE A 43 1.815 7.006 -3.510 1.00 0.00 C ATOM 538 O ILE A 43 0.736 6.473 -3.641 1.00 0.00 O ATOM 539 CB ILE A 43 2.644 8.277 -5.493 1.00 0.00 C ATOM 540 CG1 ILE A 43 3.026 9.664 -6.017 1.00 0.00 C ATOM 541 CG2 ILE A 43 1.580 7.666 -6.407 1.00 0.00 C ATOM 542 CD1 ILE A 43 3.887 9.514 -7.272 1.00 0.00 C ATOM 0 H ILE A 43 4.019 9.144 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 43 1.157 8.968 -4.096 1.00 0.00 H new ATOM 0 HB ILE A 43 3.527 7.638 -5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.128 10.239 -6.245 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.572 10.216 -5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.976 7.579 -7.419 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.307 6.677 -6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.698 8.306 -6.417 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.160 10.501 -7.646 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.791 8.956 -7.029 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.325 8.978 -8.037 1.00 0.00 H new ATOM 554 N ALA A 44 2.787 6.410 -2.885 1.00 0.00 N ATOM 555 CA ALA A 44 2.583 5.051 -2.315 1.00 0.00 C ATOM 556 C ALA A 44 1.567 5.124 -1.170 1.00 0.00 C ATOM 557 O ALA A 44 0.536 4.482 -1.204 1.00 0.00 O ATOM 558 CB ALA A 44 3.930 4.528 -1.807 1.00 0.00 C ATOM 0 H ALA A 44 3.717 6.805 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 44 2.196 4.373 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.798 3.532 -1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.638 4.481 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.314 5.199 -1.039 1.00 0.00 H new ATOM 564 N ILE A 45 1.843 5.901 -0.161 1.00 0.00 N ATOM 565 CA ILE A 45 0.885 6.011 0.973 1.00 0.00 C ATOM 566 C ILE A 45 -0.496 6.396 0.425 1.00 0.00 C ATOM 567 O ILE A 45 -1.514 5.967 0.930 1.00 0.00 O ATOM 568 CB ILE A 45 1.391 7.078 1.965 1.00 0.00 C ATOM 569 CG1 ILE A 45 2.521 6.485 2.818 1.00 0.00 C ATOM 570 CG2 ILE A 45 0.246 7.532 2.882 1.00 0.00 C ATOM 571 CD1 ILE A 45 3.139 7.577 3.696 1.00 0.00 C ATOM 0 H ILE A 45 2.689 6.464 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 45 0.806 5.057 1.495 1.00 0.00 H new ATOM 0 HB ILE A 45 1.762 7.937 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.133 5.680 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.284 6.049 2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.614 8.285 3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.556 7.957 2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.134 6.677 3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.940 7.149 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.543 8.367 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.374 7.993 4.352 1.00 0.00 H new ATOM 583 N THR A 46 -0.541 7.199 -0.602 1.00 0.00 N ATOM 584 CA THR A 46 -1.859 7.600 -1.172 1.00 0.00 C ATOM 585 C THR A 46 -2.665 6.337 -1.501 1.00 0.00 C ATOM 586 O THR A 46 -3.810 6.200 -1.119 1.00 0.00 O ATOM 587 CB THR A 46 -1.619 8.446 -2.442 1.00 0.00 C ATOM 588 OG1 THR A 46 -1.562 9.818 -2.081 1.00 0.00 O ATOM 589 CG2 THR A 46 -2.745 8.240 -3.466 1.00 0.00 C ATOM 0 H THR A 46 0.275 7.594 -1.070 1.00 0.00 H new ATOM 0 HA THR A 46 -2.422 8.197 -0.455 1.00 0.00 H new ATOM 0 HB THR A 46 -0.679 8.131 -2.896 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.638 10.061 -1.862 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.549 8.848 -4.349 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.789 7.189 -3.751 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.697 8.537 -3.025 1.00 0.00 H new ATOM 597 N GLU A 47 -2.073 5.422 -2.210 1.00 0.00 N ATOM 598 CA GLU A 47 -2.795 4.173 -2.572 1.00 0.00 C ATOM 599 C GLU A 47 -3.179 3.440 -1.293 1.00 0.00 C ATOM 600 O GLU A 47 -4.265 2.908 -1.164 1.00 0.00 O ATOM 601 CB GLU A 47 -1.868 3.291 -3.403 1.00 0.00 C ATOM 602 CG GLU A 47 -1.384 4.076 -4.613 1.00 0.00 C ATOM 603 CD GLU A 47 -2.570 4.401 -5.525 1.00 0.00 C ATOM 604 OE1 GLU A 47 -3.452 3.566 -5.636 1.00 0.00 O ATOM 605 OE2 GLU A 47 -2.574 5.479 -6.096 1.00 0.00 O ATOM 0 H GLU A 47 -1.116 5.485 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.692 4.407 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.019 2.967 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.393 2.392 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.898 4.997 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.640 3.497 -5.160 1.00 0.00 H new ATOM 612 N ALA A 48 -2.291 3.415 -0.348 1.00 0.00 N ATOM 613 CA ALA A 48 -2.583 2.723 0.940 1.00 0.00 C ATOM 614 C ALA A 48 -3.796 3.377 1.617 1.00 0.00 C ATOM 615 O ALA A 48 -4.699 2.710 2.080 1.00 0.00 O ATOM 616 CB ALA A 48 -1.364 2.838 1.859 1.00 0.00 C ATOM 0 H ALA A 48 -1.368 3.845 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.803 1.673 0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.571 2.334 2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.502 2.373 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.149 3.890 2.049 1.00 0.00 H new ATOM 622 N ILE A 49 -3.808 4.681 1.688 1.00 0.00 N ATOM 623 CA ILE A 49 -4.944 5.394 2.347 1.00 0.00 C ATOM 624 C ILE A 49 -6.260 5.095 1.631 1.00 0.00 C ATOM 625 O ILE A 49 -7.174 4.537 2.204 1.00 0.00 O ATOM 626 CB ILE A 49 -4.678 6.899 2.317 1.00 0.00 C ATOM 627 CG1 ILE A 49 -3.471 7.202 3.201 1.00 0.00 C ATOM 628 CG2 ILE A 49 -5.902 7.656 2.843 1.00 0.00 C ATOM 629 CD1 ILE A 49 -3.013 8.643 2.966 1.00 0.00 C ATOM 0 H ILE A 49 -3.077 5.287 1.316 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.025 5.048 3.378 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.480 7.216 1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.730 7.058 4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.659 6.510 2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.705 8.728 2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.765 7.431 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.107 7.348 3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.151 8.858 3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.737 8.771 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.824 9.328 3.213 1.00 0.00 H new ATOM 641 N GLN A 50 -6.371 5.470 0.390 1.00 0.00 N ATOM 642 CA GLN A 50 -7.641 5.215 -0.345 1.00 0.00 C ATOM 643 C GLN A 50 -7.937 3.718 -0.305 1.00 0.00 C ATOM 644 O GLN A 50 -9.078 3.300 -0.303 1.00 0.00 O ATOM 645 CB GLN A 50 -7.499 5.678 -1.797 1.00 0.00 C ATOM 646 CG GLN A 50 -6.403 4.866 -2.489 1.00 0.00 C ATOM 647 CD GLN A 50 -5.962 5.580 -3.770 1.00 0.00 C ATOM 648 OE1 GLN A 50 -5.945 4.989 -4.833 1.00 0.00 O ATOM 649 NE2 GLN A 50 -5.606 6.834 -3.715 1.00 0.00 N ATOM 0 H GLN A 50 -5.642 5.940 -0.147 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.458 5.766 0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.445 5.553 -2.323 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.254 6.740 -1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.552 4.741 -1.819 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.771 3.868 -2.726 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.620 7.330 -2.824 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.313 7.319 -4.563 1.00 0.00 H new ATOM 658 N ALA A 51 -6.918 2.907 -0.249 1.00 0.00 N ATOM 659 CA ALA A 51 -7.145 1.440 -0.180 1.00 0.00 C ATOM 660 C ALA A 51 -7.785 1.112 1.167 1.00 0.00 C ATOM 661 O ALA A 51 -8.692 0.307 1.259 1.00 0.00 O ATOM 662 CB ALA A 51 -5.810 0.704 -0.309 1.00 0.00 C ATOM 0 H ALA A 51 -5.940 3.197 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.800 1.125 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.981 -0.371 -0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.348 0.953 -1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.148 1.005 0.503 1.00 0.00 H new ATOM 668 N ASN A 52 -7.316 1.733 2.217 1.00 0.00 N ATOM 669 CA ASN A 52 -7.891 1.466 3.561 1.00 0.00 C ATOM 670 C ASN A 52 -9.312 2.022 3.635 1.00 0.00 C ATOM 671 O ASN A 52 -10.200 1.413 4.200 1.00 0.00 O ATOM 672 CB ASN A 52 -7.029 2.145 4.620 1.00 0.00 C ATOM 673 CG ASN A 52 -5.730 1.362 4.809 1.00 0.00 C ATOM 674 OD1 ASN A 52 -5.715 0.150 4.708 1.00 0.00 O ATOM 675 ND2 ASN A 52 -4.628 2.006 5.083 1.00 0.00 N ATOM 0 H ASN A 52 -6.558 2.415 2.198 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.915 0.391 3.737 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.807 3.169 4.320 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.572 2.200 5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.756 1.493 5.212 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.639 3.022 5.168 1.00 0.00 H new ATOM 682 N ILE A 53 -9.537 3.175 3.071 1.00 0.00 N ATOM 683 CA ILE A 53 -10.902 3.763 3.116 1.00 0.00 C ATOM 684 C ILE A 53 -11.831 2.894 2.275 1.00 0.00 C ATOM 685 O ILE A 53 -12.978 2.679 2.615 1.00 0.00 O ATOM 686 CB ILE A 53 -10.868 5.182 2.546 1.00 0.00 C ATOM 687 CG1 ILE A 53 -10.034 6.078 3.465 1.00 0.00 C ATOM 688 CG2 ILE A 53 -12.292 5.733 2.458 1.00 0.00 C ATOM 689 CD1 ILE A 53 -9.749 7.405 2.760 1.00 0.00 C ATOM 0 H ILE A 53 -8.837 3.733 2.583 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.259 3.804 4.145 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.424 5.163 1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.568 6.257 4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.098 5.582 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.266 6.744 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -12.889 5.095 1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -12.737 5.753 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.155 8.044 3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.198 7.216 1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.690 7.902 2.525 1.00 0.00 H new ATOM 701 N GLU A 54 -11.336 2.380 1.186 1.00 0.00 N ATOM 702 CA GLU A 54 -12.181 1.509 0.329 1.00 0.00 C ATOM 703 C GLU A 54 -12.412 0.179 1.050 1.00 0.00 C ATOM 704 O GLU A 54 -13.465 -0.414 0.949 1.00 0.00 O ATOM 705 CB GLU A 54 -11.475 1.259 -1.007 1.00 0.00 C ATOM 706 CG GLU A 54 -11.620 2.495 -1.899 1.00 0.00 C ATOM 707 CD GLU A 54 -10.758 2.326 -3.150 1.00 0.00 C ATOM 708 OE1 GLU A 54 -10.247 1.237 -3.350 1.00 0.00 O ATOM 709 OE2 GLU A 54 -10.624 3.289 -3.887 1.00 0.00 O ATOM 0 H GLU A 54 -10.383 2.526 0.853 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.138 1.995 0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.421 1.041 -0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.906 0.388 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.664 2.633 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.316 3.388 -1.353 1.00 0.00 H new ATOM 716 N LEU A 55 -11.439 -0.292 1.785 1.00 0.00 N ATOM 717 CA LEU A 55 -11.626 -1.580 2.512 1.00 0.00 C ATOM 718 C LEU A 55 -12.670 -1.384 3.612 1.00 0.00 C ATOM 719 O LEU A 55 -13.172 -2.332 4.184 1.00 0.00 O ATOM 720 CB LEU A 55 -10.290 -2.024 3.128 1.00 0.00 C ATOM 721 CG LEU A 55 -9.402 -2.680 2.049 1.00 0.00 C ATOM 722 CD1 LEU A 55 -7.930 -2.568 2.454 1.00 0.00 C ATOM 723 CD2 LEU A 55 -9.765 -4.166 1.894 1.00 0.00 C ATOM 0 H LEU A 55 -10.531 0.155 1.912 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.968 -2.350 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.776 -1.165 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.471 -2.729 3.939 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.567 -2.166 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.306 -3.032 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.659 -1.517 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.775 -3.075 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.132 -4.617 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.611 -4.679 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.810 -4.256 1.599 1.00 0.00 H new ATOM 735 N PHE A 56 -13.002 -0.151 3.911 1.00 0.00 N ATOM 736 CA PHE A 56 -14.012 0.138 4.971 1.00 0.00 C ATOM 737 C PHE A 56 -15.332 0.545 4.296 1.00 0.00 C ATOM 738 O PHE A 56 -16.336 0.752 4.948 1.00 0.00 O ATOM 739 CB PHE A 56 -13.461 1.275 5.857 1.00 0.00 C ATOM 740 CG PHE A 56 -14.582 2.076 6.475 1.00 0.00 C ATOM 741 CD1 PHE A 56 -15.182 3.097 5.738 1.00 0.00 C ATOM 742 CD2 PHE A 56 -15.015 1.798 7.775 1.00 0.00 C ATOM 743 CE1 PHE A 56 -16.222 3.848 6.299 1.00 0.00 C ATOM 744 CE2 PHE A 56 -16.055 2.546 8.339 1.00 0.00 C ATOM 745 CZ PHE A 56 -16.659 3.572 7.601 1.00 0.00 C ATOM 0 H PHE A 56 -12.610 0.675 3.459 1.00 0.00 H new ATOM 0 HA PHE A 56 -14.202 -0.736 5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -12.833 0.856 6.643 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -12.828 1.931 5.260 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -14.844 3.308 4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -14.548 1.007 8.343 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -16.687 4.639 5.729 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -16.392 2.332 9.343 1.00 0.00 H new ATOM 0 HZ PHE A 56 -17.461 4.150 8.036 1.00 0.00 H new ATOM 755 N SER A 57 -15.335 0.658 2.994 1.00 0.00 N ATOM 756 CA SER A 57 -16.585 1.047 2.279 1.00 0.00 C ATOM 757 C SER A 57 -16.432 0.736 0.789 1.00 0.00 C ATOM 758 O SER A 57 -16.867 1.488 -0.061 1.00 0.00 O ATOM 759 CB SER A 57 -16.834 2.544 2.466 1.00 0.00 C ATOM 760 OG SER A 57 -18.136 2.864 1.997 1.00 0.00 O ATOM 0 H SER A 57 -14.525 0.498 2.395 1.00 0.00 H new ATOM 0 HA SER A 57 -17.428 0.487 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.738 2.812 3.518 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.086 3.120 1.921 1.00 0.00 H new ATOM 0 HG SER A 57 -18.276 2.456 1.117 1.00 0.00 H new ATOM 766 N GLY A 58 -15.814 -0.369 0.467 1.00 0.00 N ATOM 767 CA GLY A 58 -15.623 -0.736 -0.966 1.00 0.00 C ATOM 768 C GLY A 58 -16.876 -1.440 -1.486 1.00 0.00 C ATOM 769 O GLY A 58 -16.926 -1.884 -2.617 1.00 0.00 O ATOM 0 H GLY A 58 -15.432 -1.036 1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.424 0.158 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.756 -1.388 -1.072 1.00 0.00 H new ATOM 773 N HIS A 59 -17.890 -1.548 -0.673 1.00 0.00 N ATOM 774 CA HIS A 59 -19.137 -2.223 -1.125 1.00 0.00 C ATOM 775 C HIS A 59 -18.796 -3.605 -1.683 1.00 0.00 C ATOM 776 O HIS A 59 -19.634 -4.286 -2.241 1.00 0.00 O ATOM 777 CB HIS A 59 -19.802 -1.381 -2.217 1.00 0.00 C ATOM 778 CG HIS A 59 -19.974 0.029 -1.725 1.00 0.00 C ATOM 779 ND1 HIS A 59 -19.517 1.125 -2.442 1.00 0.00 N ATOM 780 CD2 HIS A 59 -20.548 0.541 -0.587 1.00 0.00 C ATOM 781 CE1 HIS A 59 -19.821 2.228 -1.734 1.00 0.00 C ATOM 782 NE2 HIS A 59 -20.450 1.928 -0.595 1.00 0.00 N ATOM 0 H HIS A 59 -17.908 -1.198 0.285 1.00 0.00 H new ATOM 0 HA HIS A 59 -19.819 -2.331 -0.282 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.193 -1.391 -3.121 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.770 -1.807 -2.481 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -21.006 -0.045 0.196 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -19.585 3.234 -2.049 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -20.786 2.577 0.116 1.00 0.00 H new TER 790 HIS A 59