USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 60 ASN : amide:sc= -4.5 K(o=-4.5,f=-5.3!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.00806 USER MOD Set 2.1: A 25 HIS : no HE2:sc= -1.42 K(o=-0.078,f=-12!) USER MOD Set 2.2: A 63 THR OG1 : rot 158:sc= 1.34 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 130:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.142) USER MOD Single : A 57 ASN : amide:sc= -2.32 K(o=-2.3,f=-0.42) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 160:sc= -1.8 USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 6 5.452 -5.515 -14.263 1.00 0.00 N ATOM 82 CA TYR A 6 4.150 -5.153 -14.900 1.00 0.00 C ATOM 83 C TYR A 6 3.837 -3.690 -14.547 1.00 0.00 C ATOM 84 O TYR A 6 4.245 -3.212 -13.504 1.00 0.00 O ATOM 85 CB TYR A 6 2.979 -6.061 -14.372 1.00 0.00 C ATOM 86 CG TYR A 6 3.404 -7.256 -13.487 1.00 0.00 C ATOM 87 CD1 TYR A 6 3.813 -8.462 -14.037 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.361 -7.148 -12.107 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.161 -9.519 -13.222 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.713 -8.205 -11.297 1.00 0.00 C ATOM 91 CZ TYR A 6 4.114 -9.400 -11.850 1.00 0.00 C ATOM 92 OH TYR A 6 4.461 -10.463 -11.041 1.00 0.00 O ATOM 0 HA TYR A 6 4.233 -5.297 -15.977 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.289 -5.438 -13.803 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.427 -6.446 -15.230 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.859 -8.574 -15.110 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.046 -6.218 -11.658 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.475 -10.453 -13.665 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.674 -8.096 -10.223 1.00 0.00 H new ATOM 0 HH TYR A 6 4.370 -10.202 -10.101 1.00 0.00 H new ATOM 102 N GLN A 7 3.125 -3.033 -15.430 1.00 0.00 N ATOM 103 CA GLN A 7 2.853 -1.569 -15.266 1.00 0.00 C ATOM 104 C GLN A 7 1.344 -1.268 -15.331 1.00 0.00 C ATOM 105 O GLN A 7 0.553 -2.076 -15.786 1.00 0.00 O ATOM 106 CB GLN A 7 3.595 -0.808 -16.382 1.00 0.00 C ATOM 107 CG GLN A 7 5.106 -0.717 -16.054 1.00 0.00 C ATOM 108 CD GLN A 7 5.925 -0.901 -17.338 1.00 0.00 C ATOM 109 OE1 GLN A 7 6.409 0.048 -17.923 1.00 0.00 O ATOM 110 NE2 GLN A 7 6.105 -2.106 -17.809 1.00 0.00 N ATOM 0 H GLN A 7 2.717 -3.452 -16.265 1.00 0.00 H new ATOM 0 HA GLN A 7 3.207 -1.247 -14.287 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.452 -1.316 -17.336 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.178 0.193 -16.489 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.332 0.249 -15.602 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.377 -1.481 -15.326 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.702 -2.908 -17.325 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.648 -2.245 -18.661 1.00 0.00 H new ATOM 119 N TYR A 8 1.014 -0.092 -14.859 1.00 0.00 N ATOM 120 CA TYR A 8 -0.402 0.393 -14.800 1.00 0.00 C ATOM 121 C TYR A 8 -0.402 1.872 -15.211 1.00 0.00 C ATOM 122 O TYR A 8 0.618 2.531 -15.157 1.00 0.00 O ATOM 123 CB TYR A 8 -0.966 0.283 -13.360 1.00 0.00 C ATOM 124 CG TYR A 8 -0.958 -1.169 -12.856 1.00 0.00 C ATOM 125 CD1 TYR A 8 0.233 -1.786 -12.526 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.136 -1.881 -12.723 1.00 0.00 C ATOM 127 CE1 TYR A 8 0.246 -3.086 -12.074 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.120 -3.184 -12.270 1.00 0.00 C ATOM 129 CZ TYR A 8 -0.927 -3.796 -11.941 1.00 0.00 C ATOM 130 OH TYR A 8 -0.899 -5.099 -11.487 1.00 0.00 O ATOM 0 H TYR A 8 1.694 0.577 -14.498 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.021 -0.213 -15.462 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.374 0.905 -12.689 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.985 0.670 -13.337 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.162 -1.244 -12.623 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.076 -1.413 -12.976 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.186 -3.554 -11.821 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.047 -3.729 -12.172 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.812 -5.453 -11.451 1.00 0.00 H new ATOM 140 N ARG A 9 -1.557 2.340 -15.604 1.00 0.00 N ATOM 141 CA ARG A 9 -1.698 3.726 -16.144 1.00 0.00 C ATOM 142 C ARG A 9 -2.803 4.412 -15.335 1.00 0.00 C ATOM 143 O ARG A 9 -3.935 3.969 -15.343 1.00 0.00 O ATOM 144 CB ARG A 9 -2.078 3.638 -17.633 1.00 0.00 C ATOM 145 CG ARG A 9 -2.316 5.051 -18.218 1.00 0.00 C ATOM 146 CD ARG A 9 -2.397 4.967 -19.750 1.00 0.00 C ATOM 147 NE ARG A 9 -2.932 6.266 -20.259 1.00 0.00 N ATOM 148 CZ ARG A 9 -2.743 6.611 -21.505 1.00 0.00 C ATOM 149 NH1 ARG A 9 -3.364 5.959 -22.450 1.00 0.00 N ATOM 150 NH2 ARG A 9 -1.937 7.602 -21.765 1.00 0.00 N ATOM 0 H ARG A 9 -2.427 1.809 -15.573 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.772 4.295 -16.062 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.284 3.138 -18.188 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.978 3.034 -17.749 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.239 5.471 -17.817 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.507 5.719 -17.922 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.412 4.769 -20.173 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.045 4.144 -20.052 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.446 6.885 -19.632 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.989 5.189 -22.212 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.224 6.220 -23.426 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.468 8.092 -21.003 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.775 7.888 -22.731 1.00 0.00 H new ATOM 164 N ALA A 10 -2.441 5.473 -14.663 1.00 0.00 N ATOM 165 CA ALA A 10 -3.458 6.309 -13.950 1.00 0.00 C ATOM 166 C ALA A 10 -4.579 6.743 -14.913 1.00 0.00 C ATOM 167 O ALA A 10 -4.316 7.234 -15.995 1.00 0.00 O ATOM 168 CB ALA A 10 -2.765 7.557 -13.360 1.00 0.00 C ATOM 0 H ALA A 10 -1.479 5.800 -14.576 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.903 5.718 -13.150 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.501 8.170 -12.839 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.991 7.246 -12.659 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.314 8.137 -14.165 1.00 0.00 H new ATOM 174 N LEU A 11 -5.795 6.539 -14.477 1.00 0.00 N ATOM 175 CA LEU A 11 -6.990 6.879 -15.311 1.00 0.00 C ATOM 176 C LEU A 11 -7.364 8.361 -15.126 1.00 0.00 C ATOM 177 O LEU A 11 -7.620 9.060 -16.088 1.00 0.00 O ATOM 178 CB LEU A 11 -8.164 5.965 -14.880 1.00 0.00 C ATOM 179 CG LEU A 11 -9.167 5.772 -16.067 1.00 0.00 C ATOM 180 CD1 LEU A 11 -8.670 4.629 -17.013 1.00 0.00 C ATOM 181 CD2 LEU A 11 -10.587 5.438 -15.513 1.00 0.00 C ATOM 0 H LEU A 11 -6.015 6.144 -13.563 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.767 6.719 -16.366 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.781 4.997 -14.558 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.681 6.403 -14.026 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.221 6.698 -16.640 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.375 4.504 -17.834 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.690 4.888 -17.413 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.598 3.697 -16.452 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.280 5.305 -16.344 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.542 4.520 -14.927 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.932 6.256 -14.880 1.00 0.00 H new ATOM 193 N TYR A 12 -7.384 8.786 -13.887 1.00 0.00 N ATOM 194 CA TYR A 12 -7.732 10.201 -13.559 1.00 0.00 C ATOM 195 C TYR A 12 -6.886 10.700 -12.385 1.00 0.00 C ATOM 196 O TYR A 12 -6.392 9.926 -11.588 1.00 0.00 O ATOM 197 CB TYR A 12 -9.244 10.272 -13.212 1.00 0.00 C ATOM 198 CG TYR A 12 -9.983 10.866 -14.421 1.00 0.00 C ATOM 199 CD1 TYR A 12 -10.433 10.048 -15.440 1.00 0.00 C ATOM 200 CD2 TYR A 12 -10.198 12.227 -14.510 1.00 0.00 C ATOM 201 CE1 TYR A 12 -11.086 10.583 -16.530 1.00 0.00 C ATOM 202 CE2 TYR A 12 -10.849 12.762 -15.599 1.00 0.00 C ATOM 203 CZ TYR A 12 -11.297 11.944 -16.617 1.00 0.00 C ATOM 204 OH TYR A 12 -11.947 12.482 -17.709 1.00 0.00 O ATOM 0 H TYR A 12 -7.171 8.203 -13.078 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.523 10.841 -14.416 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.629 9.279 -12.981 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.403 10.889 -12.328 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.272 8.982 -15.382 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -9.853 12.877 -13.719 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -11.434 9.934 -17.320 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.010 13.828 -15.657 1.00 0.00 H new ATOM 0 HH TYR A 12 -12.010 13.454 -17.606 1.00 0.00 H new ATOM 214 N ASP A 13 -6.759 12.002 -12.335 1.00 0.00 N ATOM 215 CA ASP A 13 -6.096 12.695 -11.199 1.00 0.00 C ATOM 216 C ASP A 13 -6.849 12.418 -9.888 1.00 0.00 C ATOM 217 O ASP A 13 -7.965 12.865 -9.707 1.00 0.00 O ATOM 218 CB ASP A 13 -6.066 14.224 -11.481 1.00 0.00 C ATOM 219 CG ASP A 13 -7.146 14.691 -12.480 1.00 0.00 C ATOM 220 OD1 ASP A 13 -8.310 14.539 -12.141 1.00 0.00 O ATOM 221 OD2 ASP A 13 -6.751 15.175 -13.528 1.00 0.00 O ATOM 0 H ASP A 13 -7.101 12.630 -13.062 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.077 12.321 -11.096 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.196 14.761 -10.541 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.084 14.494 -11.869 1.00 0.00 H new ATOM 226 N TYR A 14 -6.205 11.679 -9.023 1.00 0.00 N ATOM 227 CA TYR A 14 -6.775 11.358 -7.679 1.00 0.00 C ATOM 228 C TYR A 14 -5.819 11.873 -6.596 1.00 0.00 C ATOM 229 O TYR A 14 -4.625 11.655 -6.669 1.00 0.00 O ATOM 230 CB TYR A 14 -6.963 9.823 -7.625 1.00 0.00 C ATOM 231 CG TYR A 14 -6.959 9.248 -6.193 1.00 0.00 C ATOM 232 CD1 TYR A 14 -8.090 9.242 -5.395 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.794 8.712 -5.693 1.00 0.00 C ATOM 234 CE1 TYR A 14 -8.042 8.705 -4.121 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.747 8.180 -4.430 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.866 8.169 -3.630 1.00 0.00 C ATOM 237 OH TYR A 14 -6.802 7.633 -2.360 1.00 0.00 O ATOM 0 H TYR A 14 -5.285 11.274 -9.196 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.738 11.839 -7.507 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.905 9.564 -8.109 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.168 9.348 -8.200 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.014 9.658 -5.769 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.904 8.710 -6.304 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.930 8.704 -3.506 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.821 7.765 -4.059 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.395 6.742 -2.401 1.00 0.00 H new ATOM 247 N LYS A 15 -6.381 12.536 -5.621 1.00 0.00 N ATOM 248 CA LYS A 15 -5.604 13.068 -4.481 1.00 0.00 C ATOM 249 C LYS A 15 -5.557 12.001 -3.372 1.00 0.00 C ATOM 250 O LYS A 15 -6.354 11.082 -3.366 1.00 0.00 O ATOM 251 CB LYS A 15 -6.320 14.323 -4.020 1.00 0.00 C ATOM 252 CG LYS A 15 -6.220 15.465 -5.071 1.00 0.00 C ATOM 253 CD LYS A 15 -6.051 16.845 -4.380 1.00 0.00 C ATOM 254 CE LYS A 15 -7.262 17.166 -3.461 1.00 0.00 C ATOM 255 NZ LYS A 15 -7.897 18.457 -3.857 1.00 0.00 N ATOM 0 H LYS A 15 -7.381 12.733 -5.573 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.575 13.308 -4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.369 14.094 -3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.892 14.660 -3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.375 15.281 -5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.116 15.472 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.133 16.850 -3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.949 17.623 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.994 16.361 -3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.933 17.220 -2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.704 18.653 -3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.201 19.225 -3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.229 18.393 -4.840 1.00 0.00 H new ATOM 269 N LYS A 16 -4.620 12.159 -2.472 1.00 0.00 N ATOM 270 CA LYS A 16 -4.538 11.250 -1.284 1.00 0.00 C ATOM 271 C LYS A 16 -5.365 11.784 -0.108 1.00 0.00 C ATOM 272 O LYS A 16 -5.497 12.980 0.072 1.00 0.00 O ATOM 273 CB LYS A 16 -3.049 11.101 -0.861 1.00 0.00 C ATOM 274 CG LYS A 16 -2.387 12.484 -0.655 1.00 0.00 C ATOM 275 CD LYS A 16 -1.018 12.322 0.045 1.00 0.00 C ATOM 276 CE LYS A 16 -1.179 12.549 1.559 1.00 0.00 C ATOM 277 NZ LYS A 16 0.096 12.230 2.263 1.00 0.00 N ATOM 0 H LYS A 16 -3.903 12.883 -2.508 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.949 10.279 -1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.986 10.523 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.505 10.544 -1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.255 12.979 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.037 13.121 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.619 11.325 -0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.302 13.035 -0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.461 13.584 1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.983 11.923 1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.023 12.386 3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.348 11.235 2.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.854 12.845 1.904 1.00 0.00 H new ATOM 291 N GLU A 17 -5.896 10.857 0.652 1.00 0.00 N ATOM 292 CA GLU A 17 -6.721 11.195 1.860 1.00 0.00 C ATOM 293 C GLU A 17 -6.047 10.650 3.139 1.00 0.00 C ATOM 294 O GLU A 17 -6.517 10.893 4.234 1.00 0.00 O ATOM 295 CB GLU A 17 -8.135 10.574 1.676 1.00 0.00 C ATOM 296 CG GLU A 17 -9.227 11.587 2.094 1.00 0.00 C ATOM 297 CD GLU A 17 -10.611 10.907 2.085 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.842 10.135 3.003 1.00 0.00 O ATOM 299 OE2 GLU A 17 -11.362 11.195 1.167 1.00 0.00 O ATOM 0 H GLU A 17 -5.791 9.857 0.483 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.806 12.277 1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.279 10.283 0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.222 9.668 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.011 11.977 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.226 12.437 1.412 1.00 0.00 H new ATOM 306 N ARG A 18 -4.965 9.932 2.955 1.00 0.00 N ATOM 307 CA ARG A 18 -4.197 9.357 4.105 1.00 0.00 C ATOM 308 C ARG A 18 -2.703 9.333 3.755 1.00 0.00 C ATOM 309 O ARG A 18 -2.333 9.183 2.605 1.00 0.00 O ATOM 310 CB ARG A 18 -4.707 7.923 4.379 1.00 0.00 C ATOM 311 CG ARG A 18 -4.428 7.504 5.848 1.00 0.00 C ATOM 312 CD ARG A 18 -5.503 8.058 6.812 1.00 0.00 C ATOM 313 NE ARG A 18 -6.810 7.403 6.501 1.00 0.00 N ATOM 314 CZ ARG A 18 -7.478 6.786 7.441 1.00 0.00 C ATOM 315 NH1 ARG A 18 -7.199 5.539 7.703 1.00 0.00 N ATOM 316 NH2 ARG A 18 -8.403 7.436 8.092 1.00 0.00 N ATOM 0 H ARG A 18 -4.574 9.716 2.038 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.340 9.966 4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.777 7.869 4.179 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.220 7.224 3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.401 6.417 5.918 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.446 7.867 6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.219 7.863 7.846 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.587 9.139 6.703 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.182 7.437 5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.469 5.059 7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.711 5.044 8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.597 8.411 7.865 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.933 6.969 8.828 1.00 0.00 H new ATOM 330 N GLU A 19 -1.901 9.480 4.780 1.00 0.00 N ATOM 331 CA GLU A 19 -0.416 9.312 4.659 1.00 0.00 C ATOM 332 C GLU A 19 -0.012 7.979 4.015 1.00 0.00 C ATOM 333 O GLU A 19 1.069 7.840 3.475 1.00 0.00 O ATOM 334 CB GLU A 19 0.202 9.428 6.072 1.00 0.00 C ATOM 335 CG GLU A 19 -0.155 8.195 6.936 1.00 0.00 C ATOM 336 CD GLU A 19 -0.029 8.576 8.420 1.00 0.00 C ATOM 337 OE1 GLU A 19 1.072 8.431 8.928 1.00 0.00 O ATOM 338 OE2 GLU A 19 -1.043 8.991 8.958 1.00 0.00 O ATOM 0 H GLU A 19 -2.220 9.715 5.720 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.040 10.094 4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.285 9.520 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.160 10.334 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.169 7.862 6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.511 7.365 6.702 1.00 0.00 H new ATOM 345 N GLU A 20 -0.922 7.047 4.105 1.00 0.00 N ATOM 346 CA GLU A 20 -0.709 5.681 3.544 1.00 0.00 C ATOM 347 C GLU A 20 -0.705 5.732 2.004 1.00 0.00 C ATOM 348 O GLU A 20 0.149 5.143 1.368 1.00 0.00 O ATOM 349 CB GLU A 20 -1.845 4.766 4.052 1.00 0.00 C ATOM 350 CG GLU A 20 -1.731 4.565 5.583 1.00 0.00 C ATOM 351 CD GLU A 20 -0.528 3.658 5.909 1.00 0.00 C ATOM 352 OE1 GLU A 20 -0.702 2.455 5.783 1.00 0.00 O ATOM 353 OE2 GLU A 20 0.497 4.219 6.267 1.00 0.00 O ATOM 0 H GLU A 20 -1.827 7.179 4.556 1.00 0.00 H new ATOM 0 HA GLU A 20 0.255 5.289 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.812 5.206 3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.797 3.801 3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.614 5.530 6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.648 4.119 5.969 1.00 0.00 H new ATOM 360 N ASP A 21 -1.663 6.441 1.461 1.00 0.00 N ATOM 361 CA ASP A 21 -1.813 6.540 -0.027 1.00 0.00 C ATOM 362 C ASP A 21 -1.021 7.762 -0.531 1.00 0.00 C ATOM 363 O ASP A 21 -0.742 8.672 0.225 1.00 0.00 O ATOM 364 CB ASP A 21 -3.329 6.678 -0.345 1.00 0.00 C ATOM 365 CG ASP A 21 -3.559 7.076 -1.808 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.624 6.172 -2.623 1.00 0.00 O ATOM 367 OD2 ASP A 21 -3.659 8.272 -2.023 1.00 0.00 O ATOM 0 H ASP A 21 -2.359 6.964 1.993 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.421 5.655 -0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.833 5.734 -0.140 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.774 7.426 0.312 1.00 0.00 H new ATOM 372 N ILE A 22 -0.688 7.729 -1.798 1.00 0.00 N ATOM 373 CA ILE A 22 0.103 8.830 -2.439 1.00 0.00 C ATOM 374 C ILE A 22 -0.707 9.561 -3.512 1.00 0.00 C ATOM 375 O ILE A 22 -1.782 9.142 -3.897 1.00 0.00 O ATOM 376 CB ILE A 22 1.382 8.233 -3.089 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.005 6.937 -3.893 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.416 7.906 -1.988 1.00 0.00 C ATOM 379 CD1 ILE A 22 1.944 6.727 -5.100 1.00 0.00 C ATOM 0 H ILE A 22 -0.936 6.968 -2.430 1.00 0.00 H new ATOM 0 HA ILE A 22 0.365 9.549 -1.663 1.00 0.00 H new ATOM 0 HB ILE A 22 1.819 8.957 -3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.058 6.070 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.025 7.010 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.313 7.487 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.675 8.818 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.991 7.182 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.654 5.822 -5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.871 7.583 -5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.971 6.628 -4.749 1.00 0.00 H new ATOM 391 N ASP A 23 -0.130 10.645 -3.960 1.00 0.00 N ATOM 392 CA ASP A 23 -0.801 11.543 -4.947 1.00 0.00 C ATOM 393 C ASP A 23 -0.705 10.920 -6.344 1.00 0.00 C ATOM 394 O ASP A 23 0.338 10.422 -6.720 1.00 0.00 O ATOM 395 CB ASP A 23 -0.107 12.913 -4.938 1.00 0.00 C ATOM 396 CG ASP A 23 -0.171 13.502 -3.522 1.00 0.00 C ATOM 397 OD1 ASP A 23 0.704 13.143 -2.748 1.00 0.00 O ATOM 398 OD2 ASP A 23 -1.091 14.275 -3.301 1.00 0.00 O ATOM 0 H ASP A 23 0.800 10.953 -3.676 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.850 11.669 -4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.931 12.810 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.592 13.584 -5.646 1.00 0.00 H new ATOM 403 N LEU A 24 -1.798 10.972 -7.060 1.00 0.00 N ATOM 404 CA LEU A 24 -1.869 10.359 -8.425 1.00 0.00 C ATOM 405 C LEU A 24 -2.330 11.405 -9.443 1.00 0.00 C ATOM 406 O LEU A 24 -3.283 12.124 -9.211 1.00 0.00 O ATOM 407 CB LEU A 24 -2.871 9.176 -8.427 1.00 0.00 C ATOM 408 CG LEU A 24 -2.437 8.060 -7.427 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.482 6.897 -7.455 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.017 7.516 -7.779 1.00 0.00 C ATOM 0 H LEU A 24 -2.661 11.421 -6.753 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.877 9.996 -8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.864 9.538 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.942 8.759 -9.432 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.395 8.487 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.178 6.118 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.461 7.280 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.536 6.481 -8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.738 6.739 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.027 7.099 -8.786 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.293 8.330 -7.730 1.00 0.00 H new ATOM 422 N HIS A 25 -1.624 11.444 -10.544 1.00 0.00 N ATOM 423 CA HIS A 25 -1.829 12.516 -11.570 1.00 0.00 C ATOM 424 C HIS A 25 -2.197 11.853 -12.909 1.00 0.00 C ATOM 425 O HIS A 25 -2.495 10.674 -12.943 1.00 0.00 O ATOM 426 CB HIS A 25 -0.523 13.361 -11.728 1.00 0.00 C ATOM 427 CG HIS A 25 0.427 13.261 -10.527 1.00 0.00 C ATOM 428 ND1 HIS A 25 0.100 13.175 -9.276 1.00 0.00 N ATOM 429 CD2 HIS A 25 1.803 13.240 -10.521 1.00 0.00 C ATOM 430 CE1 HIS A 25 1.172 13.108 -8.552 1.00 0.00 C ATOM 431 NE2 HIS A 25 2.258 13.148 -9.284 1.00 0.00 N ATOM 0 H HIS A 25 -0.900 10.766 -10.781 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.633 13.181 -11.256 1.00 0.00 H new ATOM 0 HB2 HIS A 25 0.004 13.035 -12.625 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.793 14.406 -11.880 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.855 13.162 -8.917 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.424 13.291 -11.403 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.171 13.029 -7.475 1.00 0.00 H new ATOM 439 N LEU A 26 -2.173 12.618 -13.974 1.00 0.00 N ATOM 440 CA LEU A 26 -2.445 12.050 -15.338 1.00 0.00 C ATOM 441 C LEU A 26 -1.155 11.545 -16.010 1.00 0.00 C ATOM 442 O LEU A 26 -0.070 11.962 -15.654 1.00 0.00 O ATOM 443 CB LEU A 26 -3.110 13.155 -16.201 1.00 0.00 C ATOM 444 CG LEU A 26 -4.547 13.460 -15.659 1.00 0.00 C ATOM 445 CD1 LEU A 26 -5.067 14.794 -16.267 1.00 0.00 C ATOM 446 CD2 LEU A 26 -5.516 12.285 -16.002 1.00 0.00 C ATOM 0 H LEU A 26 -1.976 13.619 -13.959 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.110 11.192 -15.243 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.504 14.060 -16.179 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.165 12.833 -17.241 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.505 13.562 -14.575 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.067 15.002 -15.887 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.397 15.607 -15.988 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.102 14.710 -17.353 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.511 12.511 -15.619 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.564 12.157 -17.083 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.151 11.366 -15.543 1.00 0.00 H new ATOM 458 N GLY A 27 -1.315 10.653 -16.962 1.00 0.00 N ATOM 459 CA GLY A 27 -0.148 10.049 -17.695 1.00 0.00 C ATOM 460 C GLY A 27 0.848 9.320 -16.767 1.00 0.00 C ATOM 461 O GLY A 27 1.859 8.809 -17.211 1.00 0.00 O ATOM 0 H GLY A 27 -2.225 10.310 -17.269 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.521 9.346 -18.440 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.379 10.836 -18.235 1.00 0.00 H new ATOM 465 N ASP A 28 0.511 9.308 -15.502 1.00 0.00 N ATOM 466 CA ASP A 28 1.407 8.781 -14.434 1.00 0.00 C ATOM 467 C ASP A 28 1.418 7.246 -14.434 1.00 0.00 C ATOM 468 O ASP A 28 0.449 6.614 -14.055 1.00 0.00 O ATOM 469 CB ASP A 28 0.890 9.351 -13.091 1.00 0.00 C ATOM 470 CG ASP A 28 1.737 10.574 -12.697 1.00 0.00 C ATOM 471 OD1 ASP A 28 1.727 11.517 -13.471 1.00 0.00 O ATOM 472 OD2 ASP A 28 2.352 10.508 -11.647 1.00 0.00 O ATOM 0 H ASP A 28 -0.383 9.656 -15.156 1.00 0.00 H new ATOM 0 HA ASP A 28 2.439 9.090 -14.602 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.158 9.635 -13.183 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.947 8.589 -12.314 1.00 0.00 H new ATOM 477 N ILE A 29 2.523 6.691 -14.864 1.00 0.00 N ATOM 478 CA ILE A 29 2.636 5.204 -14.962 1.00 0.00 C ATOM 479 C ILE A 29 3.191 4.654 -13.635 1.00 0.00 C ATOM 480 O ILE A 29 3.940 5.317 -12.942 1.00 0.00 O ATOM 481 CB ILE A 29 3.561 4.893 -16.205 1.00 0.00 C ATOM 482 CG1 ILE A 29 3.035 3.629 -16.960 1.00 0.00 C ATOM 483 CG2 ILE A 29 5.083 4.710 -15.874 1.00 0.00 C ATOM 484 CD1 ILE A 29 1.843 3.977 -17.886 1.00 0.00 C ATOM 0 H ILE A 29 3.355 7.206 -15.152 1.00 0.00 H new ATOM 0 HA ILE A 29 1.674 4.716 -15.118 1.00 0.00 H new ATOM 0 HB ILE A 29 3.502 5.782 -16.833 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.842 3.195 -17.551 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.727 2.874 -16.237 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.632 4.500 -16.792 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.469 5.623 -15.420 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.207 3.879 -15.179 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.502 3.075 -18.395 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.027 4.387 -17.291 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.159 4.713 -18.625 1.00 0.00 H new ATOM 496 N LEU A 30 2.792 3.452 -13.317 1.00 0.00 N ATOM 497 CA LEU A 30 3.270 2.755 -12.082 1.00 0.00 C ATOM 498 C LEU A 30 3.999 1.471 -12.500 1.00 0.00 C ATOM 499 O LEU A 30 3.696 0.908 -13.534 1.00 0.00 O ATOM 500 CB LEU A 30 2.038 2.433 -11.204 1.00 0.00 C ATOM 501 CG LEU A 30 1.686 3.645 -10.287 1.00 0.00 C ATOM 502 CD1 LEU A 30 1.141 4.827 -11.141 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.613 3.203 -9.260 1.00 0.00 C ATOM 0 H LEU A 30 2.136 2.907 -13.877 1.00 0.00 H new ATOM 0 HA LEU A 30 3.959 3.378 -11.512 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.186 2.191 -11.839 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.240 1.554 -10.592 1.00 0.00 H new ATOM 0 HG LEU A 30 2.584 3.978 -9.766 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.899 5.666 -10.489 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.898 5.134 -11.862 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.243 4.509 -11.671 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.360 4.043 -8.614 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.280 2.869 -9.788 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.004 2.385 -8.655 1.00 0.00 H new ATOM 515 N THR A 31 4.936 1.052 -11.684 1.00 0.00 N ATOM 516 CA THR A 31 5.666 -0.237 -11.926 1.00 0.00 C ATOM 517 C THR A 31 5.721 -1.052 -10.623 1.00 0.00 C ATOM 518 O THR A 31 5.794 -0.484 -9.550 1.00 0.00 O ATOM 519 CB THR A 31 7.082 0.112 -12.426 1.00 0.00 C ATOM 520 OG1 THR A 31 6.881 0.857 -13.621 1.00 0.00 O ATOM 521 CG2 THR A 31 7.876 -1.139 -12.877 1.00 0.00 C ATOM 0 H THR A 31 5.232 1.555 -10.847 1.00 0.00 H new ATOM 0 HA THR A 31 5.155 -0.844 -12.674 1.00 0.00 H new ATOM 0 HB THR A 31 7.624 0.618 -11.627 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.749 1.115 -13.995 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.866 -0.838 -13.220 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.977 -1.828 -12.038 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.345 -1.633 -13.691 1.00 0.00 H new ATOM 529 N VAL A 32 5.675 -2.357 -10.762 1.00 0.00 N ATOM 530 CA VAL A 32 5.808 -3.272 -9.578 1.00 0.00 C ATOM 531 C VAL A 32 6.891 -4.323 -9.890 1.00 0.00 C ATOM 532 O VAL A 32 7.746 -4.107 -10.727 1.00 0.00 O ATOM 533 CB VAL A 32 4.410 -3.992 -9.278 1.00 0.00 C ATOM 534 CG1 VAL A 32 4.308 -4.342 -7.748 1.00 0.00 C ATOM 535 CG2 VAL A 32 3.177 -3.125 -9.701 1.00 0.00 C ATOM 0 H VAL A 32 5.550 -2.834 -11.655 1.00 0.00 H new ATOM 0 HA VAL A 32 6.092 -2.698 -8.696 1.00 0.00 H new ATOM 0 HB VAL A 32 4.386 -4.902 -9.878 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.355 -4.832 -7.550 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.124 -5.011 -7.473 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.375 -3.427 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.258 -3.665 -9.474 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.190 -2.183 -9.153 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.224 -2.923 -10.771 1.00 0.00 H new ATOM 545 N ASN A 33 6.816 -5.433 -9.200 1.00 0.00 N ATOM 546 CA ASN A 33 7.718 -6.590 -9.478 1.00 0.00 C ATOM 547 C ASN A 33 7.319 -7.327 -10.763 1.00 0.00 C ATOM 548 O ASN A 33 6.366 -6.967 -11.426 1.00 0.00 O ATOM 549 CB ASN A 33 7.658 -7.544 -8.260 1.00 0.00 C ATOM 550 CG ASN A 33 9.078 -7.719 -7.709 1.00 0.00 C ATOM 551 OD1 ASN A 33 9.761 -8.675 -8.015 1.00 0.00 O ATOM 552 ND2 ASN A 33 9.555 -6.815 -6.896 1.00 0.00 N ATOM 0 H ASN A 33 6.153 -5.588 -8.440 1.00 0.00 H new ATOM 0 HA ASN A 33 8.735 -6.228 -9.630 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.001 -7.136 -7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.244 -8.509 -8.554 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.498 -6.914 -6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.984 -6.010 -6.637 1.00 0.00 H new ATOM 737 N GLU A 47 -3.479 -10.836 -12.347 1.00 0.00 N ATOM 738 CA GLU A 47 -2.653 -9.583 -12.350 1.00 0.00 C ATOM 739 C GLU A 47 -2.898 -8.781 -13.639 1.00 0.00 C ATOM 740 O GLU A 47 -1.981 -8.500 -14.388 1.00 0.00 O ATOM 741 CB GLU A 47 -1.149 -9.944 -12.243 1.00 0.00 C ATOM 742 CG GLU A 47 -0.871 -10.899 -11.078 1.00 0.00 C ATOM 743 CD GLU A 47 0.657 -11.041 -10.981 1.00 0.00 C ATOM 744 OE1 GLU A 47 1.160 -11.884 -11.706 1.00 0.00 O ATOM 745 OE2 GLU A 47 1.235 -10.303 -10.198 1.00 0.00 O ATOM 0 HA GLU A 47 -2.943 -8.974 -11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.819 -10.403 -13.175 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.566 -9.033 -12.112 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.283 -10.507 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.340 -11.868 -11.251 1.00 0.00 H new ATOM 752 N ALA A 48 -4.140 -8.444 -13.860 1.00 0.00 N ATOM 753 CA ALA A 48 -4.543 -7.803 -15.152 1.00 0.00 C ATOM 754 C ALA A 48 -5.920 -7.158 -15.046 1.00 0.00 C ATOM 755 O ALA A 48 -6.314 -6.419 -15.926 1.00 0.00 O ATOM 756 CB ALA A 48 -4.541 -8.885 -16.275 1.00 0.00 C ATOM 0 H ALA A 48 -4.902 -8.585 -13.197 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.829 -7.015 -15.391 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.833 -8.428 -17.221 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.541 -9.309 -16.370 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.247 -9.675 -16.020 1.00 0.00 H new ATOM 762 N LYS A 49 -6.601 -7.459 -13.972 1.00 0.00 N ATOM 763 CA LYS A 49 -7.940 -6.857 -13.712 1.00 0.00 C ATOM 764 C LYS A 49 -7.914 -6.119 -12.359 1.00 0.00 C ATOM 765 O LYS A 49 -8.339 -6.672 -11.363 1.00 0.00 O ATOM 766 CB LYS A 49 -8.969 -7.997 -13.718 1.00 0.00 C ATOM 767 CG LYS A 49 -9.285 -8.378 -15.181 1.00 0.00 C ATOM 768 CD LYS A 49 -9.704 -9.856 -15.252 1.00 0.00 C ATOM 769 CE LYS A 49 -10.645 -10.103 -16.450 1.00 0.00 C ATOM 770 NZ LYS A 49 -10.067 -9.550 -17.709 1.00 0.00 N ATOM 0 H LYS A 49 -6.280 -8.107 -13.253 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.208 -6.128 -14.477 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.578 -8.860 -13.180 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.879 -7.686 -13.204 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.083 -7.745 -15.568 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.410 -8.207 -15.809 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.819 -10.485 -15.344 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.204 -10.142 -14.326 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.819 -11.173 -16.565 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.613 -9.641 -16.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.578 -9.941 -18.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.158 -8.514 -17.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.062 -9.809 -17.773 1.00 0.00 H new ATOM 784 N PRO A 50 -7.423 -4.896 -12.341 1.00 0.00 N ATOM 785 CA PRO A 50 -7.466 -4.031 -11.127 1.00 0.00 C ATOM 786 C PRO A 50 -8.891 -3.916 -10.548 1.00 0.00 C ATOM 787 O PRO A 50 -9.071 -3.573 -9.395 1.00 0.00 O ATOM 788 CB PRO A 50 -6.913 -2.673 -11.568 1.00 0.00 C ATOM 789 CG PRO A 50 -6.346 -2.843 -12.997 1.00 0.00 C ATOM 790 CD PRO A 50 -6.779 -4.233 -13.506 1.00 0.00 C ATOM 0 HA PRO A 50 -6.872 -4.456 -10.318 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.698 -1.917 -11.555 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.134 -2.336 -10.884 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.723 -2.060 -13.655 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.259 -2.759 -12.991 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.473 -4.147 -14.342 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.922 -4.806 -13.860 1.00 0.00 H new ATOM 798 N GLU A 51 -9.847 -4.216 -11.390 1.00 0.00 N ATOM 799 CA GLU A 51 -11.290 -4.202 -11.001 1.00 0.00 C ATOM 800 C GLU A 51 -11.572 -5.128 -9.802 1.00 0.00 C ATOM 801 O GLU A 51 -12.296 -4.756 -8.899 1.00 0.00 O ATOM 802 CB GLU A 51 -12.134 -4.649 -12.212 1.00 0.00 C ATOM 803 CG GLU A 51 -11.929 -3.694 -13.415 1.00 0.00 C ATOM 804 CD GLU A 51 -12.878 -2.488 -13.290 1.00 0.00 C ATOM 805 OE1 GLU A 51 -14.026 -2.660 -13.671 1.00 0.00 O ATOM 806 OE2 GLU A 51 -12.405 -1.464 -12.823 1.00 0.00 O ATOM 0 H GLU A 51 -9.681 -4.478 -12.362 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.555 -3.188 -10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.858 -5.664 -12.498 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.188 -4.671 -11.937 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.894 -3.353 -13.448 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.120 -4.224 -14.348 1.00 0.00 H new ATOM 813 N GLU A 52 -10.990 -6.302 -9.829 1.00 0.00 N ATOM 814 CA GLU A 52 -11.229 -7.305 -8.738 1.00 0.00 C ATOM 815 C GLU A 52 -10.211 -7.149 -7.597 1.00 0.00 C ATOM 816 O GLU A 52 -10.513 -7.451 -6.458 1.00 0.00 O ATOM 817 CB GLU A 52 -11.126 -8.732 -9.327 1.00 0.00 C ATOM 818 CG GLU A 52 -9.868 -8.865 -10.206 1.00 0.00 C ATOM 819 CD GLU A 52 -9.493 -10.342 -10.407 1.00 0.00 C ATOM 820 OE1 GLU A 52 -10.026 -10.916 -11.344 1.00 0.00 O ATOM 821 OE2 GLU A 52 -8.693 -10.811 -9.612 1.00 0.00 O ATOM 0 H GLU A 52 -10.355 -6.613 -10.564 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.225 -7.134 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.091 -9.463 -8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.015 -8.952 -9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.044 -8.395 -11.174 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.037 -8.335 -9.741 1.00 0.00 H new ATOM 828 N ILE A 53 -9.037 -6.680 -7.939 1.00 0.00 N ATOM 829 CA ILE A 53 -8.013 -6.326 -6.902 1.00 0.00 C ATOM 830 C ILE A 53 -8.524 -5.128 -6.081 1.00 0.00 C ATOM 831 O ILE A 53 -9.192 -4.260 -6.616 1.00 0.00 O ATOM 832 CB ILE A 53 -6.674 -5.951 -7.594 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.358 -6.995 -8.710 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.527 -5.941 -6.531 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.048 -6.663 -9.446 1.00 0.00 C ATOM 0 H ILE A 53 -8.739 -6.525 -8.902 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.847 -7.179 -6.244 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.755 -4.961 -8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.285 -7.989 -8.268 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.180 -7.023 -9.425 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.586 -5.678 -7.014 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.755 -5.208 -5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.440 -6.930 -6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.863 -7.413 -10.215 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.130 -5.680 -9.910 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.222 -6.661 -8.735 1.00 0.00 H new ATOM 847 N GLY A 54 -8.198 -5.115 -4.814 1.00 0.00 N ATOM 848 CA GLY A 54 -8.699 -4.033 -3.916 1.00 0.00 C ATOM 849 C GLY A 54 -7.721 -2.867 -3.923 1.00 0.00 C ATOM 850 O GLY A 54 -7.965 -1.822 -4.494 1.00 0.00 O ATOM 0 H GLY A 54 -7.604 -5.810 -4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.682 -3.698 -4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.818 -4.415 -2.902 1.00 0.00 H new ATOM 854 N TRP A 55 -6.632 -3.126 -3.264 1.00 0.00 N ATOM 855 CA TRP A 55 -5.499 -2.156 -3.163 1.00 0.00 C ATOM 856 C TRP A 55 -4.223 -2.880 -3.577 1.00 0.00 C ATOM 857 O TRP A 55 -3.977 -3.989 -3.143 1.00 0.00 O ATOM 858 CB TRP A 55 -5.416 -1.675 -1.716 1.00 0.00 C ATOM 859 CG TRP A 55 -6.520 -0.633 -1.526 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.835 -0.925 -1.342 1.00 0.00 C ATOM 861 CD2 TRP A 55 -6.357 0.710 -1.527 1.00 0.00 C ATOM 862 NE1 TRP A 55 -8.387 0.266 -1.245 1.00 0.00 N ATOM 863 CE2 TRP A 55 -7.582 1.310 -1.342 1.00 0.00 C ATOM 864 CE3 TRP A 55 -5.227 1.496 -1.672 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.687 2.683 -1.304 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -5.330 2.869 -1.633 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.560 3.463 -1.448 1.00 0.00 C ATOM 0 H TRP A 55 -6.470 -4.004 -2.770 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.642 -1.292 -3.813 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.549 -2.507 -1.025 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.437 -1.242 -1.509 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.309 -1.894 -1.289 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -9.391 0.378 -1.101 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.263 1.032 -1.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -8.651 3.148 -1.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.447 3.480 -1.747 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.641 4.540 -1.416 1.00 0.00 H new ATOM 878 N LEU A 56 -3.452 -2.229 -4.410 1.00 0.00 N ATOM 879 CA LEU A 56 -2.121 -2.785 -4.787 1.00 0.00 C ATOM 880 C LEU A 56 -1.044 -1.721 -4.545 1.00 0.00 C ATOM 881 O LEU A 56 -1.278 -0.543 -4.736 1.00 0.00 O ATOM 882 CB LEU A 56 -2.170 -3.232 -6.295 1.00 0.00 C ATOM 883 CG LEU A 56 -2.824 -2.196 -7.269 1.00 0.00 C ATOM 884 CD1 LEU A 56 -2.531 -2.640 -8.745 1.00 0.00 C ATOM 885 CD2 LEU A 56 -4.361 -2.042 -7.074 1.00 0.00 C ATOM 0 H LEU A 56 -3.688 -1.337 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.875 -3.655 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.153 -3.434 -6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.721 -4.170 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.384 -1.224 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.981 -1.927 -9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.454 -2.673 -8.908 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.954 -3.629 -8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.746 -1.308 -7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.848 -3.002 -7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.567 -1.708 -6.057 1.00 0.00 H new ATOM 897 N ASN A 57 0.102 -2.193 -4.126 1.00 0.00 N ATOM 898 CA ASN A 57 1.266 -1.305 -3.824 1.00 0.00 C ATOM 899 C ASN A 57 2.078 -1.140 -5.114 1.00 0.00 C ATOM 900 O ASN A 57 2.175 -2.049 -5.916 1.00 0.00 O ATOM 901 CB ASN A 57 2.138 -1.962 -2.715 1.00 0.00 C ATOM 902 CG ASN A 57 2.701 -0.918 -1.733 1.00 0.00 C ATOM 903 OD1 ASN A 57 2.912 -1.209 -0.573 1.00 0.00 O ATOM 904 ND2 ASN A 57 2.963 0.296 -2.132 1.00 0.00 N ATOM 0 H ASN A 57 0.284 -3.185 -3.976 1.00 0.00 H new ATOM 0 HA ASN A 57 0.932 -0.330 -3.469 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.540 -2.690 -2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.961 -2.508 -3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.338 0.979 -1.474 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.793 0.562 -3.102 1.00 0.00 H new ATOM 911 N GLY A 58 2.637 0.030 -5.271 1.00 0.00 N ATOM 912 CA GLY A 58 3.581 0.286 -6.400 1.00 0.00 C ATOM 913 C GLY A 58 4.253 1.644 -6.214 1.00 0.00 C ATOM 914 O GLY A 58 3.990 2.348 -5.256 1.00 0.00 O ATOM 0 H GLY A 58 2.478 0.830 -4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.335 -0.500 -6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.044 0.263 -7.348 1.00 0.00 H new ATOM 918 N TYR A 59 5.108 1.967 -7.148 1.00 0.00 N ATOM 919 CA TYR A 59 5.857 3.255 -7.113 1.00 0.00 C ATOM 920 C TYR A 59 5.711 3.977 -8.456 1.00 0.00 C ATOM 921 O TYR A 59 5.706 3.354 -9.502 1.00 0.00 O ATOM 922 CB TYR A 59 7.350 2.966 -6.817 1.00 0.00 C ATOM 923 CG TYR A 59 7.814 1.676 -7.522 1.00 0.00 C ATOM 924 CD1 TYR A 59 7.623 0.444 -6.925 1.00 0.00 C ATOM 925 CD2 TYR A 59 8.424 1.732 -8.759 1.00 0.00 C ATOM 926 CE1 TYR A 59 8.034 -0.711 -7.557 1.00 0.00 C ATOM 927 CE2 TYR A 59 8.836 0.577 -9.387 1.00 0.00 C ATOM 928 CZ TYR A 59 8.643 -0.653 -8.792 1.00 0.00 C ATOM 929 OH TYR A 59 9.051 -1.808 -9.429 1.00 0.00 O ATOM 0 H TYR A 59 5.322 1.377 -7.952 1.00 0.00 H new ATOM 0 HA TYR A 59 5.453 3.895 -6.329 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.960 3.806 -7.150 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.499 2.871 -5.741 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.148 0.385 -5.957 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.579 2.688 -9.238 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.877 -1.668 -7.081 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.314 0.635 -10.354 1.00 0.00 H new ATOM 0 HH TYR A 59 9.459 -1.580 -10.290 1.00 0.00 H new ATOM 939 N ASN A 60 5.597 5.276 -8.352 1.00 0.00 N ATOM 940 CA ASN A 60 5.473 6.160 -9.549 1.00 0.00 C ATOM 941 C ASN A 60 6.717 7.056 -9.657 1.00 0.00 C ATOM 942 O ASN A 60 6.727 8.199 -9.237 1.00 0.00 O ATOM 943 CB ASN A 60 4.194 6.991 -9.383 1.00 0.00 C ATOM 944 CG ASN A 60 3.708 7.542 -10.727 1.00 0.00 C ATOM 945 OD1 ASN A 60 2.536 7.816 -10.877 1.00 0.00 O ATOM 946 ND2 ASN A 60 4.532 7.721 -11.723 1.00 0.00 N ATOM 0 H ASN A 60 5.584 5.774 -7.462 1.00 0.00 H new ATOM 0 HA ASN A 60 5.409 5.577 -10.468 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.413 6.375 -8.937 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.381 7.816 -8.696 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.187 8.086 -12.611 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.521 7.496 -11.614 1.00 0.00 H new ATOM 953 N GLU A 61 7.738 6.475 -10.234 1.00 0.00 N ATOM 954 CA GLU A 61 9.027 7.209 -10.470 1.00 0.00 C ATOM 955 C GLU A 61 8.835 8.507 -11.277 1.00 0.00 C ATOM 956 O GLU A 61 9.613 9.432 -11.140 1.00 0.00 O ATOM 957 CB GLU A 61 10.067 6.319 -11.234 1.00 0.00 C ATOM 958 CG GLU A 61 9.436 5.025 -11.713 1.00 0.00 C ATOM 959 CD GLU A 61 10.247 4.365 -12.849 1.00 0.00 C ATOM 960 OE1 GLU A 61 11.375 3.988 -12.568 1.00 0.00 O ATOM 961 OE2 GLU A 61 9.700 4.271 -13.938 1.00 0.00 O ATOM 0 H GLU A 61 7.737 5.508 -10.558 1.00 0.00 H new ATOM 0 HA GLU A 61 9.399 7.458 -9.476 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.464 6.870 -12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.909 6.095 -10.579 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.355 4.331 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.422 5.224 -12.061 1.00 0.00 H new ATOM 968 N THR A 62 7.804 8.532 -12.086 1.00 0.00 N ATOM 969 CA THR A 62 7.476 9.740 -12.916 1.00 0.00 C ATOM 970 C THR A 62 7.401 11.009 -12.059 1.00 0.00 C ATOM 971 O THR A 62 7.899 12.049 -12.446 1.00 0.00 O ATOM 972 CB THR A 62 6.116 9.531 -13.610 1.00 0.00 C ATOM 973 OG1 THR A 62 6.223 8.284 -14.286 1.00 0.00 O ATOM 974 CG2 THR A 62 5.849 10.584 -14.704 1.00 0.00 C ATOM 0 H THR A 62 7.161 7.750 -12.210 1.00 0.00 H new ATOM 0 HA THR A 62 8.270 9.865 -13.652 1.00 0.00 H new ATOM 0 HB THR A 62 5.321 9.590 -12.866 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.382 8.090 -14.750 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.879 10.394 -15.163 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.851 11.579 -14.259 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.628 10.525 -15.464 1.00 0.00 H new ATOM 982 N THR A 63 6.776 10.859 -10.919 1.00 0.00 N ATOM 983 CA THR A 63 6.611 11.995 -9.963 1.00 0.00 C ATOM 984 C THR A 63 7.502 11.769 -8.727 1.00 0.00 C ATOM 985 O THR A 63 7.573 12.608 -7.848 1.00 0.00 O ATOM 986 CB THR A 63 5.110 12.074 -9.585 1.00 0.00 C ATOM 987 OG1 THR A 63 4.983 13.242 -8.783 1.00 0.00 O ATOM 988 CG2 THR A 63 4.640 10.904 -8.680 1.00 0.00 C ATOM 0 H THR A 63 6.365 9.980 -10.605 1.00 0.00 H new ATOM 0 HA THR A 63 6.919 12.939 -10.411 1.00 0.00 H new ATOM 0 HB THR A 63 4.524 12.057 -10.504 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.052 13.549 -8.797 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.580 11.022 -8.454 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.798 9.958 -9.198 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.212 10.910 -7.752 1.00 0.00 H new ATOM 996 N GLY A 64 8.156 10.631 -8.711 1.00 0.00 N ATOM 997 CA GLY A 64 9.002 10.246 -7.543 1.00 0.00 C ATOM 998 C GLY A 64 8.150 10.072 -6.279 1.00 0.00 C ATOM 999 O GLY A 64 8.290 10.827 -5.334 1.00 0.00 O ATOM 0 H GLY A 64 8.137 9.947 -9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.528 9.317 -7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.761 11.010 -7.372 1.00 0.00 H new ATOM 1003 N GLU A 65 7.296 9.080 -6.311 1.00 0.00 N ATOM 1004 CA GLU A 65 6.442 8.746 -5.125 1.00 0.00 C ATOM 1005 C GLU A 65 6.392 7.222 -4.917 1.00 0.00 C ATOM 1006 O GLU A 65 6.703 6.460 -5.813 1.00 0.00 O ATOM 1007 CB GLU A 65 5.005 9.286 -5.352 1.00 0.00 C ATOM 1008 CG GLU A 65 4.887 10.757 -4.877 1.00 0.00 C ATOM 1009 CD GLU A 65 4.473 10.799 -3.390 1.00 0.00 C ATOM 1010 OE1 GLU A 65 5.253 10.294 -2.596 1.00 0.00 O ATOM 1011 OE2 GLU A 65 3.402 11.330 -3.128 1.00 0.00 O ATOM 0 H GLU A 65 7.151 8.477 -7.121 1.00 0.00 H new ATOM 0 HA GLU A 65 6.872 9.210 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.750 9.219 -6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.289 8.666 -4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.839 11.269 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.151 11.286 -5.483 1.00 0.00 H new ATOM 1018 N ARG A 66 5.995 6.835 -3.727 1.00 0.00 N ATOM 1019 CA ARG A 66 5.852 5.383 -3.388 1.00 0.00 C ATOM 1020 C ARG A 66 4.711 5.206 -2.372 1.00 0.00 C ATOM 1021 O ARG A 66 4.654 5.902 -1.376 1.00 0.00 O ATOM 1022 CB ARG A 66 7.208 4.870 -2.808 1.00 0.00 C ATOM 1023 CG ARG A 66 7.407 5.339 -1.347 1.00 0.00 C ATOM 1024 CD ARG A 66 8.887 5.230 -0.925 1.00 0.00 C ATOM 1025 NE ARG A 66 9.579 6.509 -1.272 1.00 0.00 N ATOM 1026 CZ ARG A 66 10.553 6.963 -0.526 1.00 0.00 C ATOM 1027 NH1 ARG A 66 11.589 6.205 -0.284 1.00 0.00 N ATOM 1028 NH2 ARG A 66 10.462 8.169 -0.040 1.00 0.00 N ATOM 0 H ARG A 66 5.761 7.473 -2.966 1.00 0.00 H new ATOM 0 HA ARG A 66 5.607 4.803 -4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.235 3.781 -2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.030 5.233 -3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.071 6.371 -1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.790 4.736 -0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.962 5.038 0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.364 4.392 -1.433 1.00 0.00 H new ATOM 0 HE ARG A 66 9.289 7.032 -2.098 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.635 5.264 -0.676 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.351 6.554 0.297 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.642 8.740 -0.244 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.211 8.541 0.544 1.00 0.00 H new ATOM 1042 N GLY A 67 3.834 4.277 -2.659 1.00 0.00 N ATOM 1043 CA GLY A 67 2.776 3.893 -1.673 1.00 0.00 C ATOM 1044 C GLY A 67 1.669 3.071 -2.331 1.00 0.00 C ATOM 1045 O GLY A 67 1.839 2.547 -3.416 1.00 0.00 O ATOM 0 H GLY A 67 3.805 3.764 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.224 3.319 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.348 4.792 -1.228 1.00 0.00 H new ATOM 1049 N ASP A 68 0.559 2.986 -1.640 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.549 2.091 -2.099 1.00 0.00 C ATOM 1051 C ASP A 68 -1.637 2.937 -2.743 1.00 0.00 C ATOM 1052 O ASP A 68 -1.804 4.094 -2.413 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.128 1.333 -0.898 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.232 0.121 -0.621 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -0.506 -0.914 -1.211 1.00 0.00 O ATOM 1056 OD2 ASP A 68 0.679 0.306 0.169 1.00 0.00 O ATOM 0 H ASP A 68 0.372 3.498 -0.778 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.166 1.373 -2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.171 1.982 -0.023 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.148 1.012 -1.107 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.342 2.314 -3.648 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.379 3.042 -4.435 1.00 0.00 C ATOM 1063 C PHE A 69 -4.528 2.079 -4.781 1.00 0.00 C ATOM 1064 O PHE A 69 -4.307 0.883 -4.882 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.717 3.609 -5.722 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.070 2.478 -6.539 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.797 2.037 -6.235 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.757 1.891 -7.583 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.220 1.023 -6.967 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.182 0.878 -8.314 1.00 0.00 C ATOM 1071 CZ PHE A 69 -0.910 0.441 -8.005 1.00 0.00 C ATOM 0 H PHE A 69 -2.244 1.325 -3.878 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.792 3.868 -3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.465 4.121 -6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.963 4.349 -5.454 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.252 2.489 -5.420 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.753 2.230 -7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.777 0.684 -6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.726 0.425 -9.130 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.457 -0.356 -8.577 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.721 2.610 -4.951 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.906 1.789 -5.310 1.00 0.00 C ATOM 1083 C PRO A 70 -6.788 1.180 -6.721 1.00 0.00 C ATOM 1084 O PRO A 70 -6.147 1.748 -7.584 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.108 2.727 -5.190 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.562 4.159 -4.938 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.032 4.061 -4.805 1.00 0.00 C ATOM 0 HA PRO A 70 -7.004 0.930 -4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.707 2.700 -6.100 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.757 2.415 -4.372 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.833 4.821 -5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.998 4.581 -4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.531 4.651 -5.573 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.695 4.441 -3.841 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.418 0.045 -6.901 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.430 -0.633 -8.235 1.00 0.00 C ATOM 1097 C GLY A 71 -8.582 -0.133 -9.126 1.00 0.00 C ATOM 1098 O GLY A 71 -8.955 -0.807 -10.066 1.00 0.00 O ATOM 0 H GLY A 71 -7.932 -0.447 -6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.480 -0.458 -8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.522 -1.710 -8.094 1.00 0.00 H new ATOM 1102 N THR A 72 -9.117 1.025 -8.818 1.00 0.00 N ATOM 1103 CA THR A 72 -10.262 1.590 -9.580 1.00 0.00 C ATOM 1104 C THR A 72 -9.825 2.804 -10.402 1.00 0.00 C ATOM 1105 O THR A 72 -10.304 3.032 -11.495 1.00 0.00 O ATOM 1106 CB THR A 72 -11.353 1.984 -8.568 1.00 0.00 C ATOM 1107 OG1 THR A 72 -10.727 2.371 -7.353 1.00 0.00 O ATOM 1108 CG2 THR A 72 -12.229 0.771 -8.186 1.00 0.00 C ATOM 0 H THR A 72 -8.795 1.612 -8.049 1.00 0.00 H new ATOM 0 HA THR A 72 -10.646 0.849 -10.281 1.00 0.00 H new ATOM 0 HB THR A 72 -11.950 2.773 -9.025 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.411 2.626 -6.699 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.990 1.083 -7.470 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.712 0.375 -9.079 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.605 -0.002 -7.738 1.00 0.00 H new ATOM 1116 N TYR A 73 -8.915 3.536 -9.827 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.449 4.824 -10.439 1.00 0.00 C ATOM 1118 C TYR A 73 -7.253 4.601 -11.376 1.00 0.00 C ATOM 1119 O TYR A 73 -6.658 5.555 -11.837 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.058 5.803 -9.306 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.257 6.699 -8.986 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -9.473 7.861 -9.701 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -10.139 6.349 -7.983 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -10.557 8.662 -9.416 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -11.222 7.148 -7.698 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.440 8.309 -8.413 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.527 9.110 -8.131 1.00 0.00 O ATOM 0 H TYR A 73 -8.463 3.298 -8.944 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.260 5.242 -11.035 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.754 5.249 -8.418 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.205 6.410 -9.610 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.789 8.143 -10.487 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.978 5.442 -7.419 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.718 9.570 -9.979 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.905 6.866 -6.911 1.00 0.00 H new ATOM 0 HH TYR A 73 -13.044 8.714 -7.399 1.00 0.00 H new ATOM 1137 N VAL A 74 -6.937 3.355 -11.633 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.783 3.010 -12.525 1.00 0.00 C ATOM 1139 C VAL A 74 -6.246 2.072 -13.659 1.00 0.00 C ATOM 1140 O VAL A 74 -7.407 1.711 -13.729 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.678 2.327 -11.661 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.230 3.293 -10.521 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.188 0.974 -11.058 1.00 0.00 C ATOM 0 H VAL A 74 -7.437 2.549 -11.257 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.382 3.914 -12.984 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.825 2.106 -12.303 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.458 2.813 -9.919 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.833 4.210 -10.956 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.086 3.532 -9.890 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.397 0.521 -10.461 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.057 1.161 -10.427 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.466 0.297 -11.866 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.318 1.711 -14.513 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.616 0.740 -15.612 1.00 0.00 C ATOM 1155 C GLU A 75 -4.360 -0.061 -15.967 1.00 0.00 C ATOM 1156 O GLU A 75 -3.440 0.435 -16.588 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.113 1.518 -16.846 1.00 0.00 C ATOM 1158 CG GLU A 75 -7.006 0.610 -17.723 1.00 0.00 C ATOM 1159 CD GLU A 75 -8.468 0.682 -17.240 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -8.736 0.084 -16.209 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -9.238 1.332 -17.928 1.00 0.00 O ATOM 0 H GLU A 75 -4.357 2.052 -14.495 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.386 0.043 -15.282 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.675 2.397 -16.529 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.263 1.875 -17.427 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.943 0.922 -18.765 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.649 -0.419 -17.676 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.378 -1.299 -15.551 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.384 -2.313 -16.018 1.00 0.00 C ATOM 1170 C TYR A 76 -3.178 -2.232 -17.541 1.00 0.00 C ATOM 1171 O TYR A 76 -4.134 -2.295 -18.289 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.913 -3.691 -15.618 1.00 0.00 C ATOM 1173 CG TYR A 76 -2.955 -4.801 -16.029 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.892 -5.128 -15.216 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.160 -5.509 -17.199 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -1.048 -6.154 -15.556 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.314 -6.539 -17.537 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.258 -6.865 -16.714 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.428 -7.915 -17.028 1.00 0.00 O ATOM 0 H TYR A 76 -5.061 -1.661 -14.886 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.414 -2.125 -15.558 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.067 -3.723 -14.539 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.885 -3.857 -16.083 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.722 -4.573 -14.305 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.985 -5.253 -17.847 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.217 -6.404 -14.913 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.478 -7.094 -18.449 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.873 -8.502 -17.674 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.939 -2.093 -17.946 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.626 -1.956 -19.404 1.00 0.00 C ATOM 1191 C ILE A 77 -0.808 -3.150 -19.901 1.00 0.00 C ATOM 1192 O ILE A 77 -1.262 -3.882 -20.759 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.835 -0.620 -19.640 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.157 -0.299 -18.470 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.837 0.552 -19.791 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.398 0.439 -18.997 1.00 0.00 C ATOM 0 H ILE A 77 -1.128 -2.068 -17.328 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.560 -1.932 -19.966 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.247 -0.746 -20.549 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.344 0.312 -17.719 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.459 -1.224 -17.979 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.289 1.480 -19.955 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.493 0.363 -20.641 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.435 0.639 -18.884 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.074 0.652 -18.169 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.909 -0.185 -19.730 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.093 1.374 -19.467 1.00 0.00 H new ATOM 1208 N GLY A 78 0.366 -3.310 -19.349 1.00 0.00 N ATOM 1209 CA GLY A 78 1.408 -4.146 -20.010 1.00 0.00 C ATOM 1210 C GLY A 78 2.143 -4.967 -18.962 1.00 0.00 C ATOM 1211 O GLY A 78 2.106 -4.669 -17.784 1.00 0.00 O ATOM 0 H GLY A 78 0.649 -2.894 -18.462 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.947 -4.805 -20.746 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.111 -3.510 -20.548 1.00 0.00 H new ATOM 1215 N ARG A 79 2.790 -5.987 -19.457 1.00 0.00 N ATOM 1216 CA ARG A 79 3.415 -7.013 -18.582 1.00 0.00 C ATOM 1217 C ARG A 79 4.463 -7.773 -19.376 1.00 0.00 C ATOM 1218 O ARG A 79 4.152 -8.596 -20.218 1.00 0.00 O ATOM 1219 CB ARG A 79 2.327 -7.951 -18.068 1.00 0.00 C ATOM 1220 CG ARG A 79 1.415 -8.503 -19.196 1.00 0.00 C ATOM 1221 CD ARG A 79 1.223 -9.978 -18.885 1.00 0.00 C ATOM 1222 NE ARG A 79 0.123 -10.523 -19.740 1.00 0.00 N ATOM 1223 CZ ARG A 79 0.244 -11.702 -20.288 1.00 0.00 C ATOM 1224 NH1 ARG A 79 1.074 -11.854 -21.283 1.00 0.00 N ATOM 1225 NH2 ARG A 79 -0.471 -12.691 -19.828 1.00 0.00 N ATOM 0 H ARG A 79 2.913 -6.153 -20.456 1.00 0.00 H new ATOM 0 HA ARG A 79 3.904 -6.545 -17.728 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.793 -8.786 -17.545 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.713 -7.421 -17.340 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.459 -7.980 -19.218 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.876 -8.366 -20.174 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.148 -10.524 -19.070 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.980 -10.111 -17.831 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.722 -9.973 -19.895 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.616 -11.059 -21.621 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.181 -12.768 -21.723 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.113 -12.538 -19.051 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.388 -13.618 -20.245 1.00 0.00 H new