USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 458 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -143:sc= 0.189 USER MOD Single : A 11 GLN : amide:sc= -0.0285 K(o=-0.029,f=-1.6!) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.54 K(o=-1.5,f=-3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -121:sc=-0.00296 (180deg=-0.373) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.291 K(o=-0.29,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00625) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0296 K(o=-0.03,f=-0.73) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -78:sc= -0.0894 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 69 TYR OH : rot -143:sc= 1.96 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.616 4.943 0.603 1.00 0.00 N ATOM 67 CA ASP A 8 3.007 4.564 0.824 1.00 0.00 C ATOM 68 C ASP A 8 3.171 3.048 0.777 1.00 0.00 C ATOM 69 O ASP A 8 2.861 2.349 1.742 1.00 0.00 O ATOM 70 CB ASP A 8 3.496 5.100 2.171 1.00 0.00 C ATOM 71 CG ASP A 8 3.768 6.591 2.136 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.796 7.373 2.186 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.954 6.976 2.059 1.00 0.00 O ATOM 0 HA ASP A 8 3.608 5.002 0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.749 4.888 2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.406 4.574 2.459 1.00 0.00 H new ATOM 78 N TYR A 9 3.658 2.546 -0.352 1.00 0.00 N ATOM 79 CA TYR A 9 3.860 1.113 -0.527 1.00 0.00 C ATOM 80 C TYR A 9 4.688 0.535 0.616 1.00 0.00 C ATOM 81 O TYR A 9 4.464 -0.594 1.052 1.00 0.00 O ATOM 82 CB TYR A 9 4.550 0.833 -1.863 1.00 0.00 C ATOM 83 CG TYR A 9 3.694 1.157 -3.067 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.394 0.677 -3.169 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.185 1.944 -4.101 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.609 0.970 -4.267 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.406 2.243 -5.202 1.00 0.00 C ATOM 88 CZ TYR A 9 2.119 1.754 -5.281 1.00 0.00 C ATOM 89 OH TYR A 9 1.339 2.049 -6.376 1.00 0.00 O ATOM 0 H TYR A 9 3.920 3.111 -1.160 1.00 0.00 H new ATOM 0 HA TYR A 9 2.882 0.632 -0.522 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.471 1.414 -1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.834 -0.219 -1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.991 0.064 -2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.193 2.329 -4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.601 0.587 -4.331 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.803 2.857 -5.997 1.00 0.00 H new ATOM 0 HH TYR A 9 1.847 2.612 -6.997 1.00 0.00 H new ATOM 99 N TYR A 10 5.646 1.319 1.099 1.00 0.00 N ATOM 100 CA TYR A 10 6.510 0.887 2.191 1.00 0.00 C ATOM 101 C TYR A 10 5.695 0.594 3.447 1.00 0.00 C ATOM 102 O TYR A 10 6.084 -0.230 4.274 1.00 0.00 O ATOM 103 CB TYR A 10 7.562 1.956 2.490 1.00 0.00 C ATOM 104 CG TYR A 10 8.430 2.301 1.301 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.253 1.346 0.717 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.426 3.581 0.761 1.00 0.00 C ATOM 107 CE1 TYR A 10 10.048 1.657 -0.369 1.00 0.00 C ATOM 108 CE2 TYR A 10 9.217 3.900 -0.325 1.00 0.00 C ATOM 109 CZ TYR A 10 10.027 2.935 -0.887 1.00 0.00 C ATOM 110 OH TYR A 10 10.816 3.248 -1.969 1.00 0.00 O ATOM 0 H TYR A 10 5.844 2.257 0.751 1.00 0.00 H new ATOM 0 HA TYR A 10 7.011 -0.030 1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.061 2.859 2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.198 1.610 3.305 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.271 0.344 1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.793 4.339 1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.683 0.903 -0.810 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.202 4.900 -0.732 1.00 0.00 H new ATOM 0 HH TYR A 10 11.160 4.160 -1.870 1.00 0.00 H new ATOM 120 N GLN A 11 4.561 1.275 3.581 1.00 0.00 N ATOM 121 CA GLN A 11 3.691 1.088 4.736 1.00 0.00 C ATOM 122 C GLN A 11 2.788 -0.126 4.547 1.00 0.00 C ATOM 123 O GLN A 11 2.536 -0.877 5.490 1.00 0.00 O ATOM 124 CB GLN A 11 2.841 2.339 4.968 1.00 0.00 C ATOM 125 CG GLN A 11 3.498 3.360 5.883 1.00 0.00 C ATOM 126 CD GLN A 11 2.533 4.433 6.349 1.00 0.00 C ATOM 127 OE1 GLN A 11 1.316 4.264 6.272 1.00 0.00 O ATOM 128 NE2 GLN A 11 3.073 5.544 6.836 1.00 0.00 N ATOM 0 H GLN A 11 4.224 1.960 2.905 1.00 0.00 H new ATOM 0 HA GLN A 11 4.320 0.917 5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.629 2.808 4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.883 2.043 5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.914 2.849 6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.331 3.829 5.359 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.087 5.641 6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.473 6.301 7.165 1.00 0.00 H new ATOM 137 N ILE A 12 2.305 -0.313 3.323 1.00 0.00 N ATOM 138 CA ILE A 12 1.431 -1.437 3.011 1.00 0.00 C ATOM 139 C ILE A 12 2.149 -2.766 3.219 1.00 0.00 C ATOM 140 O ILE A 12 1.552 -3.743 3.674 1.00 0.00 O ATOM 141 CB ILE A 12 0.918 -1.365 1.560 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.037 -0.129 1.368 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.150 -2.630 1.207 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.301 0.153 -0.079 1.00 0.00 C ATOM 0 H ILE A 12 2.504 0.299 2.532 1.00 0.00 H new ATOM 0 HA ILE A 12 0.582 -1.375 3.692 1.00 0.00 H new ATOM 0 HB ILE A 12 1.775 -1.284 0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.888 -0.261 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.545 0.738 1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.206 -2.564 0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.806 -3.494 1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.701 -2.739 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.928 1.043 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.618 0.317 -0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.837 -0.698 -0.500 1.00 0.00 H new ATOM 156 N LEU A 13 3.435 -2.796 2.885 1.00 0.00 N ATOM 157 CA LEU A 13 4.237 -4.005 3.037 1.00 0.00 C ATOM 158 C LEU A 13 4.903 -4.048 4.409 1.00 0.00 C ATOM 159 O LEU A 13 5.309 -5.109 4.880 1.00 0.00 O ATOM 160 CB LEU A 13 5.299 -4.078 1.939 1.00 0.00 C ATOM 161 CG LEU A 13 4.814 -4.544 0.566 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.809 -4.148 -0.514 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.590 -6.049 0.562 1.00 0.00 C ATOM 0 H LEU A 13 3.944 -1.997 2.507 1.00 0.00 H new ATOM 0 HA LEU A 13 3.573 -4.865 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.747 -3.090 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.090 -4.751 2.270 1.00 0.00 H new ATOM 0 HG LEU A 13 3.864 -4.055 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.447 -4.488 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.919 -3.064 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.775 -4.608 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.245 -6.363 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.525 -6.557 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.839 -6.307 1.309 1.00 0.00 H new ATOM 175 N GLY A 14 5.010 -2.886 5.045 1.00 0.00 N ATOM 176 CA GLY A 14 5.626 -2.813 6.357 1.00 0.00 C ATOM 177 C GLY A 14 7.137 -2.911 6.295 1.00 0.00 C ATOM 178 O GLY A 14 7.748 -3.678 7.040 1.00 0.00 O ATOM 0 H GLY A 14 4.681 -1.994 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.345 -1.874 6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.238 -3.617 6.982 1.00 0.00 H new ATOM 182 N VAL A 15 7.743 -2.134 5.403 1.00 0.00 N ATOM 183 CA VAL A 15 9.193 -2.137 5.245 1.00 0.00 C ATOM 184 C VAL A 15 9.744 -0.717 5.198 1.00 0.00 C ATOM 185 O VAL A 15 9.074 0.222 4.767 1.00 0.00 O ATOM 186 CB VAL A 15 9.616 -2.883 3.965 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.360 -4.375 4.107 1.00 0.00 C ATOM 188 CG2 VAL A 15 8.886 -2.321 2.755 1.00 0.00 C ATOM 0 H VAL A 15 7.252 -1.494 4.778 1.00 0.00 H new ATOM 0 HA VAL A 15 9.605 -2.654 6.112 1.00 0.00 H new ATOM 0 HB VAL A 15 10.686 -2.735 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.665 -4.885 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.933 -4.764 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.298 -4.547 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.197 -2.860 1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.811 -2.436 2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.126 -1.264 2.644 1.00 0.00 H new ATOM 198 N PRO A 16 10.995 -0.552 5.653 1.00 0.00 N ATOM 199 CA PRO A 16 11.665 0.752 5.672 1.00 0.00 C ATOM 200 C PRO A 16 12.003 1.251 4.272 1.00 0.00 C ATOM 201 O PRO A 16 12.350 0.465 3.390 1.00 0.00 O ATOM 202 CB PRO A 16 12.945 0.481 6.467 1.00 0.00 C ATOM 203 CG PRO A 16 13.204 -0.975 6.283 1.00 0.00 C ATOM 204 CD PRO A 16 11.852 -1.626 6.181 1.00 0.00 C ATOM 0 HA PRO A 16 11.034 1.528 6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.776 1.081 6.096 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.817 0.730 7.520 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.793 -1.156 5.384 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.770 -1.380 7.122 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.871 -2.489 5.515 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.502 -1.979 7.151 1.00 0.00 H new ATOM 212 N ARG A 17 11.900 2.561 4.075 1.00 0.00 N ATOM 213 CA ARG A 17 12.194 3.165 2.780 1.00 0.00 C ATOM 214 C ARG A 17 13.512 2.637 2.222 1.00 0.00 C ATOM 215 O ARG A 17 13.671 2.493 1.011 1.00 0.00 O ATOM 216 CB ARG A 17 12.253 4.688 2.906 1.00 0.00 C ATOM 217 CG ARG A 17 10.920 5.322 3.267 1.00 0.00 C ATOM 218 CD ARG A 17 11.111 6.639 4.004 1.00 0.00 C ATOM 219 NE ARG A 17 9.846 7.179 4.495 1.00 0.00 N ATOM 220 CZ ARG A 17 8.967 7.810 3.724 1.00 0.00 C ATOM 221 NH1 ARG A 17 9.214 7.979 2.433 1.00 0.00 N ATOM 222 NH2 ARG A 17 7.838 8.274 4.246 1.00 0.00 N ATOM 0 H ARG A 17 11.615 3.225 4.795 1.00 0.00 H new ATOM 0 HA ARG A 17 11.394 2.896 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.989 4.953 3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.602 5.109 1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.339 5.492 2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.346 4.635 3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.791 6.490 4.842 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.580 7.363 3.338 1.00 0.00 H new ATOM 0 HE ARG A 17 9.625 7.065 5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.081 7.624 2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.537 8.464 1.843 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.645 8.146 5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.164 8.758 3.654 1.00 0.00 H new ATOM 236 N ASN A 18 14.455 2.353 3.114 1.00 0.00 N ATOM 237 CA ASN A 18 15.761 1.843 2.711 1.00 0.00 C ATOM 238 C ASN A 18 15.787 0.318 2.755 1.00 0.00 C ATOM 239 O ASN A 18 16.810 -0.286 3.074 1.00 0.00 O ATOM 240 CB ASN A 18 16.855 2.409 3.617 1.00 0.00 C ATOM 241 CG ASN A 18 18.195 2.510 2.913 1.00 0.00 C ATOM 242 OD1 ASN A 18 18.532 1.673 2.075 1.00 0.00 O ATOM 243 ND2 ASN A 18 18.965 3.537 3.252 1.00 0.00 N ATOM 0 H ASN A 18 14.340 2.467 4.121 1.00 0.00 H new ATOM 0 HA ASN A 18 15.947 2.162 1.686 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.557 3.397 3.968 1.00 0.00 H new ATOM 0 HB3 ASN A 18 16.957 1.775 4.498 1.00 0.00 H new ATOM 0 HD21 ASN A 18 19.878 3.657 2.813 1.00 0.00 H new ATOM 0 HD22 ASN A 18 18.644 4.206 3.952 1.00 0.00 H new ATOM 250 N ALA A 19 14.653 -0.297 2.433 1.00 0.00 N ATOM 251 CA ALA A 19 14.547 -1.751 2.434 1.00 0.00 C ATOM 252 C ALA A 19 15.162 -2.347 1.172 1.00 0.00 C ATOM 253 O ALA A 19 14.842 -1.931 0.058 1.00 0.00 O ATOM 254 CB ALA A 19 13.091 -2.173 2.564 1.00 0.00 C ATOM 0 H ALA A 19 13.796 0.189 2.168 1.00 0.00 H new ATOM 0 HA ALA A 19 15.102 -2.131 3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.026 -3.261 2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.682 -1.786 3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.521 -1.775 1.725 1.00 0.00 H new ATOM 260 N SER A 20 16.045 -3.323 1.354 1.00 0.00 N ATOM 261 CA SER A 20 16.709 -3.973 0.230 1.00 0.00 C ATOM 262 C SER A 20 15.733 -4.860 -0.537 1.00 0.00 C ATOM 263 O SER A 20 14.761 -5.362 0.026 1.00 0.00 O ATOM 264 CB SER A 20 17.894 -4.806 0.722 1.00 0.00 C ATOM 265 OG SER A 20 18.727 -5.193 -0.356 1.00 0.00 O ATOM 0 H SER A 20 16.317 -3.681 2.269 1.00 0.00 H new ATOM 0 HA SER A 20 17.075 -3.197 -0.443 1.00 0.00 H new ATOM 0 HB2 SER A 20 18.473 -4.230 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.529 -5.693 1.240 1.00 0.00 H new ATOM 0 HG SER A 20 19.478 -5.723 -0.015 1.00 0.00 H new ATOM 271 N GLN A 21 16.000 -5.046 -1.826 1.00 0.00 N ATOM 272 CA GLN A 21 15.146 -5.872 -2.671 1.00 0.00 C ATOM 273 C GLN A 21 14.762 -7.165 -1.960 1.00 0.00 C ATOM 274 O GLN A 21 13.587 -7.528 -1.897 1.00 0.00 O ATOM 275 CB GLN A 21 15.852 -6.191 -3.990 1.00 0.00 C ATOM 276 CG GLN A 21 14.899 -6.411 -5.153 1.00 0.00 C ATOM 277 CD GLN A 21 13.811 -5.357 -5.223 1.00 0.00 C ATOM 278 OE1 GLN A 21 12.704 -5.558 -4.723 1.00 0.00 O ATOM 279 NE2 GLN A 21 14.121 -4.226 -5.846 1.00 0.00 N ATOM 0 H GLN A 21 16.800 -4.636 -2.307 1.00 0.00 H new ATOM 0 HA GLN A 21 14.235 -5.311 -2.881 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.530 -5.374 -4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.463 -7.084 -3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.463 -6.408 -6.086 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.441 -7.396 -5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.051 -4.102 -6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.429 -3.481 -5.925 1.00 0.00 H new ATOM 288 N LYS A 22 15.761 -7.859 -1.425 1.00 0.00 N ATOM 289 CA LYS A 22 15.530 -9.112 -0.717 1.00 0.00 C ATOM 290 C LYS A 22 14.400 -8.964 0.296 1.00 0.00 C ATOM 291 O LYS A 22 13.542 -9.839 0.415 1.00 0.00 O ATOM 292 CB LYS A 22 16.809 -9.564 -0.007 1.00 0.00 C ATOM 293 CG LYS A 22 17.211 -8.668 1.151 1.00 0.00 C ATOM 294 CD LYS A 22 18.470 -9.173 1.836 1.00 0.00 C ATOM 295 CE LYS A 22 18.141 -10.141 2.963 1.00 0.00 C ATOM 296 NZ LYS A 22 17.738 -9.428 4.206 1.00 0.00 N ATOM 0 H LYS A 22 16.739 -7.574 -1.469 1.00 0.00 H new ATOM 0 HA LYS A 22 15.242 -9.866 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.670 -10.580 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.624 -9.596 -0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.375 -7.654 0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.397 -8.619 1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 22 19.110 -9.668 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 22 19.033 -8.328 2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.336 -10.805 2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 22 19.009 -10.767 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.522 -10.122 4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.515 -8.813 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.895 -8.850 4.017 1.00 0.00 H new ATOM 310 N GLU A 23 14.404 -7.851 1.023 1.00 0.00 N ATOM 311 CA GLU A 23 13.378 -7.590 2.025 1.00 0.00 C ATOM 312 C GLU A 23 12.004 -7.456 1.375 1.00 0.00 C ATOM 313 O GLU A 23 11.046 -8.114 1.782 1.00 0.00 O ATOM 314 CB GLU A 23 13.710 -6.318 2.808 1.00 0.00 C ATOM 315 CG GLU A 23 13.116 -6.292 4.207 1.00 0.00 C ATOM 316 CD GLU A 23 13.702 -7.360 5.110 1.00 0.00 C ATOM 317 OE1 GLU A 23 13.175 -8.492 5.109 1.00 0.00 O ATOM 318 OE2 GLU A 23 14.687 -7.063 5.817 1.00 0.00 O ATOM 0 H GLU A 23 15.106 -7.116 0.937 1.00 0.00 H new ATOM 0 HA GLU A 23 13.355 -8.436 2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.793 -6.218 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.347 -5.454 2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.287 -5.312 4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.037 -6.429 4.142 1.00 0.00 H new ATOM 325 N ILE A 24 11.916 -6.599 0.363 1.00 0.00 N ATOM 326 CA ILE A 24 10.661 -6.379 -0.345 1.00 0.00 C ATOM 327 C ILE A 24 10.074 -7.694 -0.846 1.00 0.00 C ATOM 328 O ILE A 24 8.863 -7.907 -0.791 1.00 0.00 O ATOM 329 CB ILE A 24 10.848 -5.425 -1.539 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.318 -4.052 -1.054 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.551 -5.299 -2.324 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.064 -3.262 -2.107 1.00 0.00 C ATOM 0 H ILE A 24 12.699 -6.046 0.015 1.00 0.00 H new ATOM 0 HA ILE A 24 9.972 -5.925 0.368 1.00 0.00 H new ATOM 0 HB ILE A 24 11.611 -5.838 -2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.453 -3.476 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.963 -4.184 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.699 -4.621 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.254 -6.280 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.769 -4.906 -1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.367 -2.300 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.948 -3.817 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.415 -3.099 -2.967 1.00 0.00 H new ATOM 344 N LYS A 25 10.942 -8.575 -1.333 1.00 0.00 N ATOM 345 CA LYS A 25 10.512 -9.872 -1.842 1.00 0.00 C ATOM 346 C LYS A 25 9.918 -10.725 -0.725 1.00 0.00 C ATOM 347 O LYS A 25 8.771 -11.164 -0.808 1.00 0.00 O ATOM 348 CB LYS A 25 11.689 -10.606 -2.487 1.00 0.00 C ATOM 349 CG LYS A 25 11.271 -11.764 -3.376 1.00 0.00 C ATOM 350 CD LYS A 25 12.350 -12.832 -3.445 1.00 0.00 C ATOM 351 CE LYS A 25 13.456 -12.444 -4.414 1.00 0.00 C ATOM 352 NZ LYS A 25 14.496 -11.602 -3.761 1.00 0.00 N ATOM 0 H LYS A 25 11.948 -8.414 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 25 9.742 -9.702 -2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.269 -9.897 -3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.347 -10.980 -1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.348 -12.202 -2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.058 -11.395 -4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.773 -12.989 -2.453 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.908 -13.778 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.919 -13.345 -4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.027 -11.902 -5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.565 -10.690 -4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.237 -11.439 -2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.414 -12.089 -3.804 1.00 0.00 H new ATOM 366 N LYS A 26 10.706 -10.955 0.320 1.00 0.00 N ATOM 367 CA LYS A 26 10.258 -11.753 1.455 1.00 0.00 C ATOM 368 C LYS A 26 8.976 -11.179 2.051 1.00 0.00 C ATOM 369 O LYS A 26 7.971 -11.878 2.176 1.00 0.00 O ATOM 370 CB LYS A 26 11.349 -11.811 2.526 1.00 0.00 C ATOM 371 CG LYS A 26 11.273 -13.047 3.406 1.00 0.00 C ATOM 372 CD LYS A 26 10.271 -12.868 4.534 1.00 0.00 C ATOM 373 CE LYS A 26 10.845 -12.023 5.661 1.00 0.00 C ATOM 374 NZ LYS A 26 11.657 -12.838 6.606 1.00 0.00 N ATOM 0 H LYS A 26 11.658 -10.600 0.404 1.00 0.00 H new ATOM 0 HA LYS A 26 10.053 -12.763 1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.325 -11.780 2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.277 -10.923 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.991 -13.909 2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.258 -13.259 3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.368 -12.396 4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.980 -13.844 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.464 -11.230 5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.032 -11.540 6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.031 -12.226 7.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.061 -13.580 7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.448 -13.278 6.094 1.00 0.00 H new ATOM 388 N ALA A 27 9.019 -9.902 2.417 1.00 0.00 N ATOM 389 CA ALA A 27 7.860 -9.234 2.996 1.00 0.00 C ATOM 390 C ALA A 27 6.620 -9.438 2.132 1.00 0.00 C ATOM 391 O ALA A 27 5.580 -9.884 2.617 1.00 0.00 O ATOM 392 CB ALA A 27 8.142 -7.750 3.177 1.00 0.00 C ATOM 0 H ALA A 27 9.844 -9.310 2.323 1.00 0.00 H new ATOM 0 HA ALA A 27 7.666 -9.677 3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.268 -7.264 3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.996 -7.620 3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.364 -7.301 2.209 1.00 0.00 H new ATOM 398 N TYR A 28 6.737 -9.107 0.851 1.00 0.00 N ATOM 399 CA TYR A 28 5.624 -9.251 -0.080 1.00 0.00 C ATOM 400 C TYR A 28 5.035 -10.657 -0.012 1.00 0.00 C ATOM 401 O TYR A 28 3.906 -10.848 0.440 1.00 0.00 O ATOM 402 CB TYR A 28 6.083 -8.947 -1.507 1.00 0.00 C ATOM 403 CG TYR A 28 5.109 -9.409 -2.568 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.796 -8.958 -2.577 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.504 -10.297 -3.561 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.903 -9.378 -3.544 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.619 -10.722 -4.533 1.00 0.00 C ATOM 408 CZ TYR A 28 3.319 -10.260 -4.520 1.00 0.00 C ATOM 409 OH TYR A 28 2.433 -10.680 -5.485 1.00 0.00 O ATOM 0 H TYR A 28 7.591 -8.737 0.434 1.00 0.00 H new ATOM 0 HA TYR A 28 4.850 -8.538 0.205 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.236 -7.873 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.048 -9.424 -1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.467 -8.267 -1.815 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.521 -10.661 -3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.885 -9.018 -3.536 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.943 -11.412 -5.298 1.00 0.00 H new ATOM 0 HH TYR A 28 2.885 -11.298 -6.097 1.00 0.00 H new ATOM 419 N TYR A 29 5.808 -11.637 -0.464 1.00 0.00 N ATOM 420 CA TYR A 29 5.364 -13.026 -0.457 1.00 0.00 C ATOM 421 C TYR A 29 4.691 -13.376 0.867 1.00 0.00 C ATOM 422 O TYR A 29 3.685 -14.085 0.895 1.00 0.00 O ATOM 423 CB TYR A 29 6.548 -13.963 -0.704 1.00 0.00 C ATOM 424 CG TYR A 29 6.850 -14.185 -2.168 1.00 0.00 C ATOM 425 CD1 TYR A 29 6.047 -15.010 -2.946 1.00 0.00 C ATOM 426 CD2 TYR A 29 7.938 -13.570 -2.775 1.00 0.00 C ATOM 427 CE1 TYR A 29 6.319 -15.216 -4.285 1.00 0.00 C ATOM 428 CE2 TYR A 29 8.217 -13.769 -4.113 1.00 0.00 C ATOM 429 CZ TYR A 29 7.405 -14.593 -4.864 1.00 0.00 C ATOM 430 OH TYR A 29 7.680 -14.795 -6.197 1.00 0.00 O ATOM 0 H TYR A 29 6.746 -11.496 -0.840 1.00 0.00 H new ATOM 0 HA TYR A 29 4.636 -13.152 -1.258 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.433 -13.553 -0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.343 -14.925 -0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.195 -15.499 -2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.577 -12.925 -2.190 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.685 -15.861 -4.875 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.066 -13.282 -4.569 1.00 0.00 H new ATOM 0 HH TYR A 29 8.477 -14.283 -6.448 1.00 0.00 H new ATOM 440 N GLN A 30 5.254 -12.873 1.960 1.00 0.00 N ATOM 441 CA GLN A 30 4.709 -13.132 3.288 1.00 0.00 C ATOM 442 C GLN A 30 3.277 -12.619 3.398 1.00 0.00 C ATOM 443 O GLN A 30 2.341 -13.396 3.593 1.00 0.00 O ATOM 444 CB GLN A 30 5.583 -12.475 4.358 1.00 0.00 C ATOM 445 CG GLN A 30 6.696 -13.374 4.871 1.00 0.00 C ATOM 446 CD GLN A 30 6.172 -14.656 5.488 1.00 0.00 C ATOM 447 OE1 GLN A 30 5.031 -14.718 5.946 1.00 0.00 O ATOM 448 NE2 GLN A 30 7.006 -15.690 5.502 1.00 0.00 N ATOM 0 H GLN A 30 6.087 -12.284 1.953 1.00 0.00 H new ATOM 0 HA GLN A 30 4.702 -14.210 3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.022 -11.565 3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.954 -12.176 5.196 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.368 -13.619 4.049 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.283 -12.832 5.612 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.943 -15.594 5.111 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.709 -16.579 5.903 1.00 0.00 H new ATOM 457 N LEU A 31 3.113 -11.307 3.272 1.00 0.00 N ATOM 458 CA LEU A 31 1.794 -10.689 3.358 1.00 0.00 C ATOM 459 C LEU A 31 0.846 -11.283 2.320 1.00 0.00 C ATOM 460 O LEU A 31 -0.246 -11.740 2.654 1.00 0.00 O ATOM 461 CB LEU A 31 1.904 -9.176 3.158 1.00 0.00 C ATOM 462 CG LEU A 31 2.586 -8.399 4.284 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.917 -6.985 3.832 1.00 0.00 C ATOM 464 CD2 LEU A 31 1.704 -8.371 5.524 1.00 0.00 C ATOM 0 H LEU A 31 3.877 -10.650 3.110 1.00 0.00 H new ATOM 0 HA LEU A 31 1.390 -10.890 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.450 -8.991 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.900 -8.774 3.022 1.00 0.00 H new ATOM 0 HG LEU A 31 3.517 -8.906 4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.402 -6.447 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.588 -7.025 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.999 -6.468 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.206 -7.814 6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.756 -7.889 5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.517 -9.391 5.861 1.00 0.00 H new ATOM 476 N ALA A 32 1.274 -11.273 1.062 1.00 0.00 N ATOM 477 CA ALA A 32 0.465 -11.815 -0.023 1.00 0.00 C ATOM 478 C ALA A 32 -0.237 -13.099 0.403 1.00 0.00 C ATOM 479 O ALA A 32 -1.460 -13.210 0.315 1.00 0.00 O ATOM 480 CB ALA A 32 1.329 -12.065 -1.251 1.00 0.00 C ATOM 0 H ALA A 32 2.175 -10.896 0.769 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.300 -11.081 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.712 -12.470 -2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.779 -11.127 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.116 -12.778 -1.003 1.00 0.00 H new ATOM 486 N LYS A 33 0.545 -14.070 0.864 1.00 0.00 N ATOM 487 CA LYS A 33 -0.001 -15.348 1.305 1.00 0.00 C ATOM 488 C LYS A 33 -0.883 -15.167 2.537 1.00 0.00 C ATOM 489 O LYS A 33 -1.879 -15.870 2.709 1.00 0.00 O ATOM 490 CB LYS A 33 1.131 -16.330 1.615 1.00 0.00 C ATOM 491 CG LYS A 33 0.737 -17.424 2.592 1.00 0.00 C ATOM 492 CD LYS A 33 1.609 -18.658 2.429 1.00 0.00 C ATOM 493 CE LYS A 33 0.874 -19.920 2.855 1.00 0.00 C ATOM 494 NZ LYS A 33 1.386 -21.126 2.147 1.00 0.00 N ATOM 0 H LYS A 33 1.559 -13.996 0.942 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.613 -15.751 0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.467 -16.789 0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.978 -15.778 2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.822 -17.050 3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.308 -17.693 2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.920 -18.750 1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.516 -18.545 3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.982 -20.057 3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.191 -19.805 2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.860 -21.965 2.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.260 -21.006 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.396 -21.250 2.359 1.00 0.00 H new ATOM 508 N LYS A 34 -0.511 -14.220 3.391 1.00 0.00 N ATOM 509 CA LYS A 34 -1.269 -13.944 4.606 1.00 0.00 C ATOM 510 C LYS A 34 -2.663 -13.424 4.271 1.00 0.00 C ATOM 511 O LYS A 34 -3.597 -13.571 5.059 1.00 0.00 O ATOM 512 CB LYS A 34 -0.528 -12.924 5.474 1.00 0.00 C ATOM 513 CG LYS A 34 -1.379 -12.341 6.588 1.00 0.00 C ATOM 514 CD LYS A 34 -0.521 -11.803 7.721 1.00 0.00 C ATOM 515 CE LYS A 34 0.143 -10.489 7.342 1.00 0.00 C ATOM 516 NZ LYS A 34 0.734 -9.805 8.525 1.00 0.00 N ATOM 0 H LYS A 34 0.311 -13.630 3.264 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.371 -14.877 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.350 -13.400 5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.169 -12.113 4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.002 -11.540 6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.052 -13.107 6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.137 -11.658 8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.243 -12.536 7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.923 -10.676 6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.590 -9.834 6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.177 -8.913 8.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.014 -9.604 9.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.452 -10.420 8.958 1.00 0.00 H new ATOM 530 N TYR A 35 -2.797 -12.817 3.097 1.00 0.00 N ATOM 531 CA TYR A 35 -4.077 -12.274 2.658 1.00 0.00 C ATOM 532 C TYR A 35 -4.487 -12.864 1.312 1.00 0.00 C ATOM 533 O TYR A 35 -5.018 -12.164 0.450 1.00 0.00 O ATOM 534 CB TYR A 35 -4.001 -10.750 2.557 1.00 0.00 C ATOM 535 CG TYR A 35 -3.723 -10.069 3.878 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.699 -9.996 4.864 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.484 -9.496 4.140 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.450 -9.375 6.072 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.225 -8.874 5.345 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.211 -8.815 6.308 1.00 0.00 C ATOM 541 OH TYR A 35 -2.958 -8.195 7.510 1.00 0.00 O ATOM 0 H TYR A 35 -2.034 -12.689 2.432 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.830 -12.545 3.398 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.219 -10.480 1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.941 -10.374 2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.670 -10.433 4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.710 -9.538 3.388 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.220 -9.328 6.828 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.256 -8.436 5.533 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.039 -7.855 7.516 1.00 0.00 H new ATOM 551 N HIS A 36 -4.236 -14.159 1.140 1.00 0.00 N ATOM 552 CA HIS A 36 -4.579 -14.845 -0.100 1.00 0.00 C ATOM 553 C HIS A 36 -6.081 -14.776 -0.362 1.00 0.00 C ATOM 554 O HIS A 36 -6.900 -14.890 0.549 1.00 0.00 O ATOM 555 CB HIS A 36 -4.127 -16.305 -0.042 1.00 0.00 C ATOM 556 CG HIS A 36 -3.766 -16.874 -1.379 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.549 -17.798 -2.039 1.00 0.00 N ATOM 558 CD2 HIS A 36 -2.700 -16.644 -2.181 1.00 0.00 C ATOM 559 CE1 HIS A 36 -3.978 -18.113 -3.189 1.00 0.00 C ATOM 560 NE2 HIS A 36 -2.855 -17.426 -3.299 1.00 0.00 N ATOM 0 H HIS A 36 -3.797 -14.753 1.843 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.062 -14.344 -0.918 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.266 -16.384 0.622 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.924 -16.906 0.396 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.880 -15.971 -1.979 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.364 -18.813 -3.915 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.208 -17.469 -4.086 1.00 0.00 H new ATOM 704 N ALA A 46 -9.867 -8.438 2.321 1.00 0.00 N ATOM 705 CA ALA A 46 -8.775 -9.216 1.748 1.00 0.00 C ATOM 706 C ALA A 46 -8.633 -8.943 0.254 1.00 0.00 C ATOM 707 O ALA A 46 -7.553 -8.600 -0.225 1.00 0.00 O ATOM 708 CB ALA A 46 -8.996 -10.700 1.997 1.00 0.00 C ATOM 0 HA ALA A 46 -7.849 -8.912 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.173 -11.268 1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.040 -10.886 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.934 -11.011 1.536 1.00 0.00 H new ATOM 714 N LYS A 47 -9.731 -9.100 -0.478 1.00 0.00 N ATOM 715 CA LYS A 47 -9.730 -8.871 -1.918 1.00 0.00 C ATOM 716 C LYS A 47 -9.080 -7.533 -2.255 1.00 0.00 C ATOM 717 O LYS A 47 -8.361 -7.415 -3.247 1.00 0.00 O ATOM 718 CB LYS A 47 -11.160 -8.906 -2.462 1.00 0.00 C ATOM 719 CG LYS A 47 -11.880 -7.572 -2.368 1.00 0.00 C ATOM 720 CD LYS A 47 -11.535 -6.669 -3.540 1.00 0.00 C ATOM 721 CE LYS A 47 -12.652 -5.677 -3.827 1.00 0.00 C ATOM 722 NZ LYS A 47 -12.875 -4.747 -2.685 1.00 0.00 N ATOM 0 H LYS A 47 -10.633 -9.385 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.150 -9.666 -2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.135 -9.223 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.730 -9.656 -1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.957 -7.740 -2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.611 -7.077 -1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.613 -6.128 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.349 -7.276 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.407 -5.103 -4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.574 -6.219 -4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.609 -4.055 -2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.183 -5.288 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.989 -4.248 -2.466 1.00 0.00 H new ATOM 736 N GLU A 48 -9.336 -6.529 -1.423 1.00 0.00 N ATOM 737 CA GLU A 48 -8.774 -5.200 -1.635 1.00 0.00 C ATOM 738 C GLU A 48 -7.301 -5.163 -1.238 1.00 0.00 C ATOM 739 O GLU A 48 -6.492 -4.485 -1.873 1.00 0.00 O ATOM 740 CB GLU A 48 -9.556 -4.158 -0.832 1.00 0.00 C ATOM 741 CG GLU A 48 -9.593 -2.787 -1.487 1.00 0.00 C ATOM 742 CD GLU A 48 -9.683 -1.660 -0.477 1.00 0.00 C ATOM 743 OE1 GLU A 48 -8.732 -1.496 0.315 1.00 0.00 O ATOM 744 OE2 GLU A 48 -10.705 -0.942 -0.478 1.00 0.00 O ATOM 0 H GLU A 48 -9.928 -6.610 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.853 -4.965 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.577 -4.512 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.111 -4.066 0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.698 -2.655 -2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.447 -2.734 -2.162 1.00 0.00 H new ATOM 751 N LYS A 49 -6.960 -5.895 -0.183 1.00 0.00 N ATOM 752 CA LYS A 49 -5.585 -5.948 0.299 1.00 0.00 C ATOM 753 C LYS A 49 -4.673 -6.612 -0.727 1.00 0.00 C ATOM 754 O LYS A 49 -3.729 -5.997 -1.224 1.00 0.00 O ATOM 755 CB LYS A 49 -5.517 -6.709 1.625 1.00 0.00 C ATOM 756 CG LYS A 49 -5.683 -5.820 2.846 1.00 0.00 C ATOM 757 CD LYS A 49 -6.241 -6.594 4.028 1.00 0.00 C ATOM 758 CE LYS A 49 -6.572 -5.673 5.192 1.00 0.00 C ATOM 759 NZ LYS A 49 -7.007 -6.434 6.396 1.00 0.00 N ATOM 0 H LYS A 49 -7.617 -6.460 0.355 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.242 -4.925 0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.293 -7.474 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.559 -7.225 1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.720 -5.387 3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.349 -4.991 2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.138 -7.131 3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.516 -7.342 4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.697 -5.072 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.361 -4.982 4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.223 -5.770 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.857 -6.988 6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.245 -7.076 6.695 1.00 0.00 H new ATOM 773 N PHE A 50 -4.963 -7.870 -1.043 1.00 0.00 N ATOM 774 CA PHE A 50 -4.169 -8.618 -2.011 1.00 0.00 C ATOM 775 C PHE A 50 -3.841 -7.756 -3.227 1.00 0.00 C ATOM 776 O PHE A 50 -2.687 -7.672 -3.649 1.00 0.00 O ATOM 777 CB PHE A 50 -4.917 -9.877 -2.452 1.00 0.00 C ATOM 778 CG PHE A 50 -4.048 -10.870 -3.170 1.00 0.00 C ATOM 779 CD1 PHE A 50 -3.262 -11.764 -2.461 1.00 0.00 C ATOM 780 CD2 PHE A 50 -4.018 -10.910 -4.555 1.00 0.00 C ATOM 781 CE1 PHE A 50 -2.462 -12.677 -3.120 1.00 0.00 C ATOM 782 CE2 PHE A 50 -3.220 -11.822 -5.219 1.00 0.00 C ATOM 783 CZ PHE A 50 -2.441 -12.707 -4.501 1.00 0.00 C ATOM 0 H PHE A 50 -5.742 -8.393 -0.643 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.235 -8.908 -1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.354 -10.356 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.742 -9.590 -3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.275 -11.747 -1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.626 -10.220 -5.122 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.853 -13.367 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.206 -11.842 -6.299 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.817 -13.421 -5.018 1.00 0.00 H new ATOM 793 N SER A 51 -4.863 -7.116 -3.785 1.00 0.00 N ATOM 794 CA SER A 51 -4.686 -6.264 -4.954 1.00 0.00 C ATOM 795 C SER A 51 -3.643 -5.183 -4.686 1.00 0.00 C ATOM 796 O SER A 51 -2.812 -4.882 -5.542 1.00 0.00 O ATOM 797 CB SER A 51 -6.016 -5.618 -5.348 1.00 0.00 C ATOM 798 OG SER A 51 -5.969 -5.122 -6.674 1.00 0.00 O ATOM 0 H SER A 51 -5.823 -7.172 -3.446 1.00 0.00 H new ATOM 0 HA SER A 51 -4.335 -6.887 -5.776 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.820 -6.349 -5.258 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.247 -4.805 -4.660 1.00 0.00 H new ATOM 0 HG SER A 51 -6.831 -4.716 -6.902 1.00 0.00 H new ATOM 804 N GLN A 52 -3.694 -4.605 -3.490 1.00 0.00 N ATOM 805 CA GLN A 52 -2.754 -3.557 -3.109 1.00 0.00 C ATOM 806 C GLN A 52 -1.350 -4.124 -2.930 1.00 0.00 C ATOM 807 O GLN A 52 -0.375 -3.564 -3.433 1.00 0.00 O ATOM 808 CB GLN A 52 -3.212 -2.879 -1.816 1.00 0.00 C ATOM 809 CG GLN A 52 -4.205 -1.750 -2.040 1.00 0.00 C ATOM 810 CD GLN A 52 -3.533 -0.453 -2.447 1.00 0.00 C ATOM 811 OE1 GLN A 52 -2.934 0.236 -1.620 1.00 0.00 O ATOM 812 NE2 GLN A 52 -3.627 -0.114 -3.727 1.00 0.00 N ATOM 0 H GLN A 52 -4.375 -4.844 -2.769 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.728 -2.818 -3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.665 -3.626 -1.164 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.340 -2.486 -1.293 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.916 -2.044 -2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.776 -1.587 -1.126 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.133 -0.715 -4.378 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.193 0.747 -4.060 1.00 0.00 H new ATOM 821 N LEU A 53 -1.254 -5.237 -2.211 1.00 0.00 N ATOM 822 CA LEU A 53 0.032 -5.880 -1.966 1.00 0.00 C ATOM 823 C LEU A 53 0.785 -6.110 -3.272 1.00 0.00 C ATOM 824 O LEU A 53 1.882 -5.587 -3.468 1.00 0.00 O ATOM 825 CB LEU A 53 -0.172 -7.212 -1.241 1.00 0.00 C ATOM 826 CG LEU A 53 -0.579 -7.120 0.230 1.00 0.00 C ATOM 827 CD1 LEU A 53 -1.067 -8.470 0.734 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.584 -6.622 1.075 1.00 0.00 C ATOM 0 H LEU A 53 -2.051 -5.713 -1.788 1.00 0.00 H new ATOM 0 HA LEU A 53 0.627 -5.217 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.935 -7.779 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.754 -7.784 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.397 -6.405 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.352 -8.385 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.929 -8.787 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.269 -9.206 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.276 -6.563 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.423 -7.312 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.888 -5.634 0.730 1.00 0.00 H new ATOM 840 N ALA A 54 0.186 -6.892 -4.164 1.00 0.00 N ATOM 841 CA ALA A 54 0.798 -7.187 -5.454 1.00 0.00 C ATOM 842 C ALA A 54 1.292 -5.913 -6.132 1.00 0.00 C ATOM 843 O ALA A 54 2.427 -5.849 -6.601 1.00 0.00 O ATOM 844 CB ALA A 54 -0.190 -7.916 -6.353 1.00 0.00 C ATOM 0 H ALA A 54 -0.722 -7.333 -4.017 1.00 0.00 H new ATOM 0 HA ALA A 54 1.659 -7.832 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.281 -8.130 -7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.491 -8.851 -5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.068 -7.290 -6.511 1.00 0.00 H new ATOM 850 N GLU A 55 0.430 -4.901 -6.179 1.00 0.00 N ATOM 851 CA GLU A 55 0.780 -3.630 -6.801 1.00 0.00 C ATOM 852 C GLU A 55 2.032 -3.038 -6.162 1.00 0.00 C ATOM 853 O GLU A 55 2.976 -2.659 -6.855 1.00 0.00 O ATOM 854 CB GLU A 55 -0.383 -2.642 -6.682 1.00 0.00 C ATOM 855 CG GLU A 55 -0.150 -1.336 -7.423 1.00 0.00 C ATOM 856 CD GLU A 55 0.271 -1.549 -8.864 1.00 0.00 C ATOM 857 OE1 GLU A 55 -0.309 -2.436 -9.525 1.00 0.00 O ATOM 858 OE2 GLU A 55 1.180 -0.831 -9.330 1.00 0.00 O ATOM 0 H GLU A 55 -0.514 -4.937 -5.794 1.00 0.00 H new ATOM 0 HA GLU A 55 0.984 -3.815 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.288 -3.112 -7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.559 -2.426 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.063 -0.742 -7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.618 -0.761 -6.905 1.00 0.00 H new ATOM 865 N ALA A 56 2.033 -2.961 -4.835 1.00 0.00 N ATOM 866 CA ALA A 56 3.169 -2.416 -4.102 1.00 0.00 C ATOM 867 C ALA A 56 4.458 -3.143 -4.469 1.00 0.00 C ATOM 868 O ALA A 56 5.488 -2.514 -4.713 1.00 0.00 O ATOM 869 CB ALA A 56 2.920 -2.504 -2.603 1.00 0.00 C ATOM 0 H ALA A 56 1.260 -3.269 -4.246 1.00 0.00 H new ATOM 0 HA ALA A 56 3.281 -1.368 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.776 -2.094 -2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.026 -1.935 -2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.780 -3.547 -2.318 1.00 0.00 H new ATOM 875 N TYR A 57 4.395 -4.469 -4.506 1.00 0.00 N ATOM 876 CA TYR A 57 5.559 -5.281 -4.841 1.00 0.00 C ATOM 877 C TYR A 57 6.002 -5.031 -6.279 1.00 0.00 C ATOM 878 O TYR A 57 7.185 -4.830 -6.549 1.00 0.00 O ATOM 879 CB TYR A 57 5.246 -6.765 -4.642 1.00 0.00 C ATOM 880 CG TYR A 57 6.287 -7.688 -5.233 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.432 -8.024 -4.520 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.126 -8.225 -6.504 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.386 -8.866 -5.057 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.075 -9.069 -7.049 1.00 0.00 C ATOM 885 CZ TYR A 57 8.203 -9.386 -6.321 1.00 0.00 C ATOM 886 OH TYR A 57 9.151 -10.227 -6.859 1.00 0.00 O ATOM 0 H TYR A 57 3.550 -5.005 -4.308 1.00 0.00 H new ATOM 0 HA TYR A 57 6.373 -4.996 -4.175 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.156 -6.969 -3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.278 -6.987 -5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.578 -7.620 -3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.244 -7.979 -7.076 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.271 -9.116 -4.490 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.934 -9.478 -8.039 1.00 0.00 H new ATOM 0 HH TYR A 57 8.870 -10.506 -7.755 1.00 0.00 H new ATOM 896 N GLU A 58 5.041 -5.046 -7.198 1.00 0.00 N ATOM 897 CA GLU A 58 5.331 -4.822 -8.610 1.00 0.00 C ATOM 898 C GLU A 58 6.157 -3.552 -8.800 1.00 0.00 C ATOM 899 O GLU A 58 7.186 -3.563 -9.475 1.00 0.00 O ATOM 900 CB GLU A 58 4.032 -4.723 -9.411 1.00 0.00 C ATOM 901 CG GLU A 58 4.250 -4.552 -10.905 1.00 0.00 C ATOM 902 CD GLU A 58 3.060 -3.917 -11.599 1.00 0.00 C ATOM 903 OE1 GLU A 58 2.047 -4.618 -11.801 1.00 0.00 O ATOM 904 OE2 GLU A 58 3.143 -2.718 -11.940 1.00 0.00 O ATOM 0 H GLU A 58 4.056 -5.211 -6.990 1.00 0.00 H new ATOM 0 HA GLU A 58 5.910 -5.670 -8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.440 -5.622 -9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.449 -3.881 -9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.134 -3.936 -11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.450 -5.525 -11.353 1.00 0.00 H new ATOM 911 N VAL A 59 5.696 -2.459 -8.201 1.00 0.00 N ATOM 912 CA VAL A 59 6.391 -1.181 -8.303 1.00 0.00 C ATOM 913 C VAL A 59 7.779 -1.258 -7.678 1.00 0.00 C ATOM 914 O VAL A 59 8.789 -1.067 -8.356 1.00 0.00 O ATOM 915 CB VAL A 59 5.594 -0.053 -7.621 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.463 1.183 -7.444 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.343 0.275 -8.422 1.00 0.00 C ATOM 0 H VAL A 59 4.844 -2.433 -7.640 1.00 0.00 H new ATOM 0 HA VAL A 59 6.487 -0.957 -9.365 1.00 0.00 H new ATOM 0 HB VAL A 59 5.286 -0.396 -6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.883 1.969 -6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.326 0.936 -6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.804 1.531 -8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.792 1.074 -7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.627 0.598 -9.424 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.713 -0.611 -8.491 1.00 0.00 H new ATOM 927 N LEU A 60 7.822 -1.540 -6.380 1.00 0.00 N ATOM 928 CA LEU A 60 9.087 -1.643 -5.661 1.00 0.00 C ATOM 929 C LEU A 60 10.032 -2.616 -6.359 1.00 0.00 C ATOM 930 O LEU A 60 11.102 -2.229 -6.829 1.00 0.00 O ATOM 931 CB LEU A 60 8.842 -2.097 -4.221 1.00 0.00 C ATOM 932 CG LEU A 60 8.097 -1.108 -3.324 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.519 -1.820 -2.110 1.00 0.00 C ATOM 934 CD2 LEU A 60 9.020 0.021 -2.892 1.00 0.00 C ATOM 0 H LEU A 60 6.996 -1.701 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 60 9.552 -0.657 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.279 -3.030 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.805 -2.319 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 60 7.274 -0.679 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.992 -1.101 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.824 -2.593 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.326 -2.277 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.472 0.715 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.864 -0.391 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.386 0.549 -3.773 1.00 0.00 H new ATOM 946 N SER A 61 9.628 -3.881 -6.425 1.00 0.00 N ATOM 947 CA SER A 61 10.439 -4.910 -7.064 1.00 0.00 C ATOM 948 C SER A 61 11.156 -4.353 -8.290 1.00 0.00 C ATOM 949 O SER A 61 12.361 -4.544 -8.458 1.00 0.00 O ATOM 950 CB SER A 61 9.566 -6.100 -7.467 1.00 0.00 C ATOM 951 OG SER A 61 8.859 -5.832 -8.666 1.00 0.00 O ATOM 0 H SER A 61 8.744 -4.217 -6.044 1.00 0.00 H new ATOM 0 HA SER A 61 11.189 -5.244 -6.347 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.190 -6.984 -7.599 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.860 -6.324 -6.667 1.00 0.00 H new ATOM 0 HG SER A 61 8.093 -5.252 -8.472 1.00 0.00 H new ATOM 957 N ASP A 62 10.407 -3.665 -9.144 1.00 0.00 N ATOM 958 CA ASP A 62 10.970 -3.078 -10.355 1.00 0.00 C ATOM 959 C ASP A 62 11.799 -1.841 -10.024 1.00 0.00 C ATOM 960 O ASP A 62 11.268 -0.832 -9.562 1.00 0.00 O ATOM 961 CB ASP A 62 9.855 -2.713 -11.336 1.00 0.00 C ATOM 962 CG ASP A 62 10.325 -2.723 -12.777 1.00 0.00 C ATOM 963 OD1 ASP A 62 11.409 -2.167 -13.051 1.00 0.00 O ATOM 964 OD2 ASP A 62 9.610 -3.287 -13.631 1.00 0.00 O ATOM 0 H ASP A 62 9.408 -3.500 -9.021 1.00 0.00 H new ATOM 0 HA ASP A 62 11.623 -3.817 -10.818 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.030 -3.416 -11.221 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.468 -1.724 -11.090 1.00 0.00 H new ATOM 969 N GLU A 63 13.104 -1.928 -10.264 1.00 0.00 N ATOM 970 CA GLU A 63 14.006 -0.816 -9.989 1.00 0.00 C ATOM 971 C GLU A 63 13.531 0.455 -10.689 1.00 0.00 C ATOM 972 O GLU A 63 13.562 1.542 -10.112 1.00 0.00 O ATOM 973 CB GLU A 63 15.427 -1.159 -10.442 1.00 0.00 C ATOM 974 CG GLU A 63 15.557 -1.356 -11.943 1.00 0.00 C ATOM 975 CD GLU A 63 16.910 -1.911 -12.343 1.00 0.00 C ATOM 976 OE1 GLU A 63 17.230 -3.047 -11.936 1.00 0.00 O ATOM 977 OE2 GLU A 63 17.649 -1.208 -13.064 1.00 0.00 O ATOM 0 H GLU A 63 13.559 -2.756 -10.648 1.00 0.00 H new ATOM 0 HA GLU A 63 14.007 -0.640 -8.913 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.101 -0.362 -10.129 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.751 -2.068 -9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.775 -2.033 -12.286 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.396 -0.403 -12.446 1.00 0.00 H new ATOM 984 N VAL A 64 13.093 0.309 -11.935 1.00 0.00 N ATOM 985 CA VAL A 64 12.611 1.444 -12.713 1.00 0.00 C ATOM 986 C VAL A 64 11.431 2.121 -12.026 1.00 0.00 C ATOM 987 O VAL A 64 11.471 3.316 -11.732 1.00 0.00 O ATOM 988 CB VAL A 64 12.187 1.013 -14.130 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.625 2.197 -14.903 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.362 0.392 -14.871 1.00 0.00 C ATOM 0 H VAL A 64 13.062 -0.584 -12.427 1.00 0.00 H new ATOM 0 HA VAL A 64 13.438 2.150 -12.787 1.00 0.00 H new ATOM 0 HB VAL A 64 11.403 0.261 -14.043 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.331 1.873 -15.901 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.755 2.594 -14.379 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.386 2.974 -14.983 1.00 0.00 H new ATOM 0 HG21 VAL A 64 13.045 0.093 -15.870 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.169 1.121 -14.949 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.715 -0.483 -14.325 1.00 0.00 H new ATOM 1000 N LYS A 65 10.380 1.349 -11.771 1.00 0.00 N ATOM 1001 CA LYS A 65 9.187 1.872 -11.116 1.00 0.00 C ATOM 1002 C LYS A 65 9.524 2.429 -9.736 1.00 0.00 C ATOM 1003 O LYS A 65 9.010 3.473 -9.335 1.00 0.00 O ATOM 1004 CB LYS A 65 8.127 0.776 -10.990 1.00 0.00 C ATOM 1005 CG LYS A 65 7.755 0.134 -12.316 1.00 0.00 C ATOM 1006 CD LYS A 65 6.781 -1.016 -12.125 1.00 0.00 C ATOM 1007 CE LYS A 65 6.535 -1.760 -13.429 1.00 0.00 C ATOM 1008 NZ LYS A 65 5.615 -1.013 -14.330 1.00 0.00 N ATOM 0 H LYS A 65 10.330 0.358 -12.008 1.00 0.00 H new ATOM 0 HA LYS A 65 8.792 2.682 -11.729 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.493 0.005 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.231 1.199 -10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.311 0.883 -12.972 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.656 -0.229 -12.811 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.174 -1.707 -11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.836 -0.634 -11.739 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.485 -1.926 -13.937 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.113 -2.742 -13.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.473 -1.554 -15.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.700 -0.877 -13.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.029 -0.086 -14.557 1.00 0.00 H new ATOM 1022 N ARG A 66 10.390 1.725 -9.015 1.00 0.00 N ATOM 1023 CA ARG A 66 10.795 2.149 -7.680 1.00 0.00 C ATOM 1024 C ARG A 66 11.432 3.535 -7.720 1.00 0.00 C ATOM 1025 O ARG A 66 11.066 4.421 -6.948 1.00 0.00 O ATOM 1026 CB ARG A 66 11.777 1.142 -7.078 1.00 0.00 C ATOM 1027 CG ARG A 66 11.869 1.213 -5.562 1.00 0.00 C ATOM 1028 CD ARG A 66 13.099 0.484 -5.044 1.00 0.00 C ATOM 1029 NE ARG A 66 13.258 0.636 -3.600 1.00 0.00 N ATOM 1030 CZ ARG A 66 14.075 -0.113 -2.868 1.00 0.00 C ATOM 1031 NH1 ARG A 66 14.804 -1.060 -3.442 1.00 0.00 N ATOM 1032 NH2 ARG A 66 14.165 0.086 -1.559 1.00 0.00 N ATOM 0 H ARG A 66 10.825 0.859 -9.333 1.00 0.00 H new ATOM 0 HA ARG A 66 9.904 2.195 -7.055 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.476 0.135 -7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.766 1.314 -7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.903 2.256 -5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.973 0.776 -5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.023 -0.575 -5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.986 0.866 -5.549 1.00 0.00 H new ATOM 0 HE ARG A 66 12.712 1.357 -3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.738 -1.215 -4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.431 -1.634 -2.878 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.607 0.815 -1.114 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.793 -0.490 -0.998 1.00 0.00 H new ATOM 1046 N LYS A 67 12.388 3.715 -8.626 1.00 0.00 N ATOM 1047 CA LYS A 67 13.076 4.993 -8.768 1.00 0.00 C ATOM 1048 C LYS A 67 12.079 6.128 -8.979 1.00 0.00 C ATOM 1049 O LYS A 67 12.151 7.160 -8.313 1.00 0.00 O ATOM 1050 CB LYS A 67 14.058 4.938 -9.941 1.00 0.00 C ATOM 1051 CG LYS A 67 14.976 6.146 -10.022 1.00 0.00 C ATOM 1052 CD LYS A 67 16.192 5.864 -10.889 1.00 0.00 C ATOM 1053 CE LYS A 67 17.275 6.914 -10.688 1.00 0.00 C ATOM 1054 NZ LYS A 67 16.850 8.251 -11.188 1.00 0.00 N ATOM 0 H LYS A 67 12.704 2.992 -9.273 1.00 0.00 H new ATOM 0 HA LYS A 67 13.628 5.185 -7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.664 4.036 -9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.496 4.856 -10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.427 6.995 -10.429 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.300 6.426 -9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.590 4.878 -10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.895 5.842 -11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.521 6.984 -9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.182 6.604 -11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.615 8.939 -11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.639 8.191 -12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.999 8.559 -10.676 1.00 0.00 H new ATOM 1068 N GLN A 68 11.150 5.928 -9.908 1.00 0.00 N ATOM 1069 CA GLN A 68 10.138 6.935 -10.205 1.00 0.00 C ATOM 1070 C GLN A 68 9.227 7.163 -9.003 1.00 0.00 C ATOM 1071 O GLN A 68 8.964 8.302 -8.618 1.00 0.00 O ATOM 1072 CB GLN A 68 9.307 6.512 -11.417 1.00 0.00 C ATOM 1073 CG GLN A 68 10.021 6.710 -12.744 1.00 0.00 C ATOM 1074 CD GLN A 68 9.795 8.091 -13.328 1.00 0.00 C ATOM 1075 OE1 GLN A 68 10.003 9.103 -12.657 1.00 0.00 O ATOM 1076 NE2 GLN A 68 9.367 8.141 -14.584 1.00 0.00 N ATOM 0 H GLN A 68 11.077 5.078 -10.468 1.00 0.00 H new ATOM 0 HA GLN A 68 10.649 7.870 -10.433 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.037 5.461 -11.313 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.377 7.081 -11.426 1.00 0.00 H new ATOM 0 HG2 GLN A 68 11.090 6.549 -12.605 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.675 5.958 -13.454 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.208 7.278 -15.103 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.198 9.043 -15.030 1.00 0.00 H new ATOM 1085 N TYR A 69 8.750 6.072 -8.415 1.00 0.00 N ATOM 1086 CA TYR A 69 7.866 6.152 -7.258 1.00 0.00 C ATOM 1087 C TYR A 69 8.533 6.910 -6.114 1.00 0.00 C ATOM 1088 O TYR A 69 7.906 7.741 -5.456 1.00 0.00 O ATOM 1089 CB TYR A 69 7.470 4.750 -6.793 1.00 0.00 C ATOM 1090 CG TYR A 69 7.154 4.668 -5.317 1.00 0.00 C ATOM 1091 CD1 TYR A 69 6.232 5.529 -4.735 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.776 3.728 -4.504 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.940 5.458 -3.387 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.490 3.649 -3.155 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.571 4.517 -2.601 1.00 0.00 C ATOM 1096 OH TYR A 69 6.283 4.442 -1.258 1.00 0.00 O ATOM 0 H TYR A 69 8.960 5.122 -8.720 1.00 0.00 H new ATOM 0 HA TYR A 69 6.969 6.695 -7.556 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.600 4.420 -7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.281 4.058 -7.021 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.735 6.267 -5.347 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.496 3.047 -4.935 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.221 6.136 -2.951 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.983 2.912 -2.537 1.00 0.00 H new ATOM 0 HH TYR A 69 7.101 4.236 -0.759 1.00 0.00 H new ATOM 1106 N ASP A 70 9.808 6.618 -5.884 1.00 0.00 N ATOM 1107 CA ASP A 70 10.563 7.272 -4.822 1.00 0.00 C ATOM 1108 C ASP A 70 10.784 8.747 -5.141 1.00 0.00 C ATOM 1109 O ASP A 70 10.632 9.609 -4.276 1.00 0.00 O ATOM 1110 CB ASP A 70 11.908 6.574 -4.619 1.00 0.00 C ATOM 1111 CG ASP A 70 12.481 6.810 -3.235 1.00 0.00 C ATOM 1112 OD1 ASP A 70 13.213 7.806 -3.058 1.00 0.00 O ATOM 1113 OD2 ASP A 70 12.195 6.000 -2.329 1.00 0.00 O ATOM 0 H ASP A 70 10.341 5.932 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 70 9.983 7.201 -3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.786 5.503 -4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.616 6.931 -5.367 1.00 0.00 H new