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 7 GLN : amide:sc= -0.312 K(o=-0.16,f=0.83) USER MOD Set 1.2: A 31 THR OG1 : rot -101:sc= 0.154 USER MOD Single : A 6 TYR OH : rot 180:sc= 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 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.102) USER MOD Single : A 16 LYS NZ :NH3+ 147:sc= 0.634 (180deg=0.0906) USER MOD Single : A 25 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-3.5!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.64 K(o=-1.6,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.225 USER MOD Single : A 60 ASN : amide:sc= -2.15 K(o=-2.2,f=-5.2!) USER MOD Single : A 62 THR OG1 : rot -90:sc= 0.386 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0521 USER MOD Single : A 72 THR OG1 : rot 61:sc= -0.441 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 150:sc= -0.343 USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 6 5.417 -5.336 -14.652 1.00 0.00 N ATOM 82 CA TYR A 6 4.040 -5.021 -15.183 1.00 0.00 C ATOM 83 C TYR A 6 3.598 -3.667 -14.657 1.00 0.00 C ATOM 84 O TYR A 6 3.916 -3.302 -13.539 1.00 0.00 O ATOM 85 CB TYR A 6 2.973 -6.073 -14.724 1.00 0.00 C ATOM 86 CG TYR A 6 3.663 -7.202 -13.968 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.169 -8.270 -14.667 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.806 -7.155 -12.598 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.818 -9.282 -14.013 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.456 -8.168 -11.940 1.00 0.00 C ATOM 91 CZ TYR A 6 4.967 -9.244 -12.639 1.00 0.00 C ATOM 92 OH TYR A 6 5.621 -10.265 -11.979 1.00 0.00 O ATOM 0 HA TYR A 6 4.105 -5.034 -16.271 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.228 -5.597 -14.087 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.444 -6.471 -15.590 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.054 -8.312 -15.740 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.406 -6.320 -12.042 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.216 -10.115 -14.573 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.569 -8.124 -10.867 1.00 0.00 H new ATOM 0 HH TYR A 6 5.636 -10.076 -11.017 1.00 0.00 H new ATOM 102 N GLN A 7 2.870 -2.967 -15.489 1.00 0.00 N ATOM 103 CA GLN A 7 2.597 -1.533 -15.192 1.00 0.00 C ATOM 104 C GLN A 7 1.113 -1.216 -15.253 1.00 0.00 C ATOM 105 O GLN A 7 0.315 -1.959 -15.791 1.00 0.00 O ATOM 106 CB GLN A 7 3.367 -0.666 -16.206 1.00 0.00 C ATOM 107 CG GLN A 7 4.844 -0.567 -15.760 1.00 0.00 C ATOM 108 CD GLN A 7 5.635 0.421 -16.635 1.00 0.00 C ATOM 109 OE1 GLN A 7 6.673 0.908 -16.235 1.00 0.00 O ATOM 110 NE2 GLN A 7 5.202 0.749 -17.824 1.00 0.00 N ATOM 0 H GLN A 7 2.458 -3.323 -16.351 1.00 0.00 H new ATOM 0 HA GLN A 7 2.929 -1.317 -14.177 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.303 -1.104 -17.202 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.924 0.328 -16.265 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.890 -0.249 -14.719 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.307 -1.552 -15.813 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.332 0.351 -18.178 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.734 1.403 -18.398 1.00 0.00 H new ATOM 119 N TYR A 8 0.823 -0.087 -14.665 1.00 0.00 N ATOM 120 CA TYR A 8 -0.577 0.385 -14.508 1.00 0.00 C ATOM 121 C TYR A 8 -0.535 1.891 -14.756 1.00 0.00 C ATOM 122 O TYR A 8 0.205 2.606 -14.106 1.00 0.00 O ATOM 123 CB TYR A 8 -1.072 0.101 -13.066 1.00 0.00 C ATOM 124 CG TYR A 8 -1.181 -1.411 -12.798 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.040 -2.167 -12.614 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.411 -2.034 -12.739 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.122 -3.521 -12.375 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.492 -3.392 -12.498 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.350 -4.146 -12.314 1.00 0.00 C ATOM 130 OH TYR A 8 -1.436 -5.505 -12.077 1.00 0.00 O ATOM 0 H TYR A 8 1.523 0.545 -14.276 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.254 -0.120 -15.197 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.386 0.551 -12.349 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.044 0.570 -12.914 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.928 -1.691 -12.658 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.313 -1.458 -12.882 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.781 -4.097 -12.235 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.460 -3.869 -12.453 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.378 -5.776 -12.066 1.00 0.00 H new ATOM 140 N ARG A 9 -1.333 2.318 -15.694 1.00 0.00 N ATOM 141 CA ARG A 9 -1.452 3.772 -15.995 1.00 0.00 C ATOM 142 C ARG A 9 -2.603 4.343 -15.156 1.00 0.00 C ATOM 143 O ARG A 9 -3.715 3.855 -15.217 1.00 0.00 O ATOM 144 CB ARG A 9 -1.709 3.893 -17.505 1.00 0.00 C ATOM 145 CG ARG A 9 -1.799 5.360 -17.960 1.00 0.00 C ATOM 146 CD ARG A 9 -1.761 5.385 -19.501 1.00 0.00 C ATOM 147 NE ARG A 9 -2.189 6.738 -19.965 1.00 0.00 N ATOM 148 CZ ARG A 9 -1.623 7.284 -21.008 1.00 0.00 C ATOM 149 NH1 ARG A 9 -0.361 7.612 -20.942 1.00 0.00 N ATOM 150 NH2 ARG A 9 -2.335 7.486 -22.082 1.00 0.00 N ATOM 0 H ARG A 9 -1.916 1.713 -16.273 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.553 4.336 -15.744 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.908 3.393 -18.050 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.636 3.378 -17.757 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.719 5.817 -17.594 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.971 5.938 -17.549 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.756 5.163 -19.858 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.421 4.619 -19.908 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.925 7.237 -19.466 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.166 7.441 -20.086 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.098 8.039 -21.747 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.319 7.219 -22.099 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.908 7.911 -22.905 1.00 0.00 H new ATOM 164 N ALA A 10 -2.287 5.362 -14.394 1.00 0.00 N ATOM 165 CA ALA A 10 -3.338 6.142 -13.667 1.00 0.00 C ATOM 166 C ALA A 10 -4.377 6.703 -14.652 1.00 0.00 C ATOM 167 O ALA A 10 -4.044 7.484 -15.521 1.00 0.00 O ATOM 168 CB ALA A 10 -2.657 7.300 -12.899 1.00 0.00 C ATOM 0 H ALA A 10 -1.333 5.691 -14.243 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.856 5.485 -12.968 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.412 7.876 -12.365 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.941 6.892 -12.186 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.138 7.949 -13.604 1.00 0.00 H new ATOM 174 N LEU A 11 -5.605 6.281 -14.477 1.00 0.00 N ATOM 175 CA LEU A 11 -6.687 6.682 -15.426 1.00 0.00 C ATOM 176 C LEU A 11 -7.086 8.140 -15.151 1.00 0.00 C ATOM 177 O LEU A 11 -6.962 8.982 -16.022 1.00 0.00 O ATOM 178 CB LEU A 11 -7.909 5.732 -15.228 1.00 0.00 C ATOM 179 CG LEU A 11 -8.418 5.183 -16.597 1.00 0.00 C ATOM 180 CD1 LEU A 11 -9.671 4.287 -16.351 1.00 0.00 C ATOM 181 CD2 LEU A 11 -8.771 6.351 -17.573 1.00 0.00 C ATOM 0 H LEU A 11 -5.905 5.674 -13.714 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.338 6.603 -16.456 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.627 4.901 -14.581 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.714 6.269 -14.725 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.627 4.592 -17.059 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.033 3.899 -17.303 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.402 3.456 -15.699 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.455 4.879 -15.879 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.123 5.941 -18.519 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.553 6.970 -17.132 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.884 6.959 -17.749 1.00 0.00 H new ATOM 193 N TYR A 12 -7.553 8.382 -13.951 1.00 0.00 N ATOM 194 CA TYR A 12 -7.917 9.768 -13.517 1.00 0.00 C ATOM 195 C TYR A 12 -6.971 10.242 -12.415 1.00 0.00 C ATOM 196 O TYR A 12 -6.205 9.477 -11.861 1.00 0.00 O ATOM 197 CB TYR A 12 -9.375 9.769 -12.995 1.00 0.00 C ATOM 198 CG TYR A 12 -10.236 10.681 -13.879 1.00 0.00 C ATOM 199 CD1 TYR A 12 -10.735 10.210 -15.076 1.00 0.00 C ATOM 200 CD2 TYR A 12 -10.521 11.977 -13.493 1.00 0.00 C ATOM 201 CE1 TYR A 12 -11.510 11.019 -15.878 1.00 0.00 C ATOM 202 CE2 TYR A 12 -11.297 12.788 -14.297 1.00 0.00 C ATOM 203 CZ TYR A 12 -11.796 12.313 -15.494 1.00 0.00 C ATOM 204 OH TYR A 12 -12.573 13.119 -16.302 1.00 0.00 O ATOM 0 H TYR A 12 -7.700 7.665 -13.241 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.830 10.447 -14.365 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.775 8.755 -13.002 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.402 10.116 -11.962 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.516 9.199 -15.387 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.135 12.357 -12.559 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -11.896 10.638 -16.812 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.515 13.800 -13.988 1.00 0.00 H new ATOM 0 HH TYR A 12 -12.678 13.998 -15.883 1.00 0.00 H new ATOM 214 N ASP A 13 -7.074 11.514 -12.142 1.00 0.00 N ATOM 215 CA ASP A 13 -6.267 12.172 -11.085 1.00 0.00 C ATOM 216 C ASP A 13 -6.981 11.976 -9.739 1.00 0.00 C ATOM 217 O ASP A 13 -8.133 12.340 -9.602 1.00 0.00 O ATOM 218 CB ASP A 13 -6.141 13.673 -11.436 1.00 0.00 C ATOM 219 CG ASP A 13 -7.356 14.169 -12.258 1.00 0.00 C ATOM 220 OD1 ASP A 13 -8.342 14.500 -11.617 1.00 0.00 O ATOM 221 OD2 ASP A 13 -7.220 14.181 -13.472 1.00 0.00 O ATOM 0 H ASP A 13 -7.710 12.144 -12.630 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.268 11.742 -11.017 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.059 14.256 -10.519 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.225 13.839 -12.003 1.00 0.00 H new ATOM 226 N TYR A 14 -6.276 11.405 -8.793 1.00 0.00 N ATOM 227 CA TYR A 14 -6.801 11.287 -7.397 1.00 0.00 C ATOM 228 C TYR A 14 -5.816 11.984 -6.451 1.00 0.00 C ATOM 229 O TYR A 14 -4.619 11.861 -6.605 1.00 0.00 O ATOM 230 CB TYR A 14 -6.952 9.767 -7.071 1.00 0.00 C ATOM 231 CG TYR A 14 -7.244 9.487 -5.573 1.00 0.00 C ATOM 232 CD1 TYR A 14 -8.156 10.247 -4.870 1.00 0.00 C ATOM 233 CD2 TYR A 14 -6.592 8.461 -4.909 1.00 0.00 C ATOM 234 CE1 TYR A 14 -8.406 9.988 -3.534 1.00 0.00 C ATOM 235 CE2 TYR A 14 -6.842 8.203 -3.579 1.00 0.00 C ATOM 236 CZ TYR A 14 -7.752 8.966 -2.880 1.00 0.00 C ATOM 237 OH TYR A 14 -8.004 8.709 -1.547 1.00 0.00 O ATOM 0 H TYR A 14 -5.346 11.010 -8.931 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.774 11.764 -7.280 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.758 9.351 -7.675 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.038 9.248 -7.359 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.679 11.051 -5.367 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.876 7.853 -5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.122 10.593 -2.998 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.322 7.398 -3.081 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.455 7.953 -1.250 1.00 0.00 H new ATOM 247 N LYS A 15 -6.347 12.701 -5.497 1.00 0.00 N ATOM 248 CA LYS A 15 -5.487 13.372 -4.479 1.00 0.00 C ATOM 249 C LYS A 15 -5.259 12.420 -3.296 1.00 0.00 C ATOM 250 O LYS A 15 -5.849 11.360 -3.217 1.00 0.00 O ATOM 251 CB LYS A 15 -6.204 14.669 -4.023 1.00 0.00 C ATOM 252 CG LYS A 15 -5.440 15.926 -4.495 1.00 0.00 C ATOM 253 CD LYS A 15 -5.286 15.958 -6.045 1.00 0.00 C ATOM 254 CE LYS A 15 -5.413 17.401 -6.583 1.00 0.00 C ATOM 255 NZ LYS A 15 -4.434 18.312 -5.923 1.00 0.00 N ATOM 0 H LYS A 15 -7.349 12.852 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.513 13.627 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.218 14.686 -4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.288 14.678 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.969 16.819 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.454 15.948 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.318 15.545 -6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.047 15.327 -6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.249 17.406 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.426 17.767 -6.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.436 19.233 -6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.700 18.444 -4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.483 17.895 -5.975 1.00 0.00 H new ATOM 269 N LYS A 16 -4.395 12.840 -2.411 1.00 0.00 N ATOM 270 CA LYS A 16 -4.182 12.104 -1.127 1.00 0.00 C ATOM 271 C LYS A 16 -5.133 12.619 -0.026 1.00 0.00 C ATOM 272 O LYS A 16 -5.442 13.794 0.040 1.00 0.00 O ATOM 273 CB LYS A 16 -2.678 12.276 -0.730 1.00 0.00 C ATOM 274 CG LYS A 16 -2.333 13.662 -0.108 1.00 0.00 C ATOM 275 CD LYS A 16 -2.636 14.820 -1.090 1.00 0.00 C ATOM 276 CE LYS A 16 -1.983 16.117 -0.597 1.00 0.00 C ATOM 277 NZ LYS A 16 -0.516 16.089 -0.843 1.00 0.00 N ATOM 0 H LYS A 16 -3.819 13.674 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.411 11.045 -1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.411 11.495 -0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.061 12.125 -1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.906 13.803 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.279 13.685 0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.263 14.571 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.714 14.958 -1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.427 16.971 -1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.177 16.246 0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.180 17.052 -1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.029 15.724 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.312 15.472 -1.655 1.00 0.00 H new ATOM 291 N GLU A 17 -5.564 11.700 0.800 1.00 0.00 N ATOM 292 CA GLU A 17 -6.416 12.027 1.991 1.00 0.00 C ATOM 293 C GLU A 17 -5.889 11.274 3.229 1.00 0.00 C ATOM 294 O GLU A 17 -6.321 11.525 4.338 1.00 0.00 O ATOM 295 CB GLU A 17 -7.876 11.619 1.659 1.00 0.00 C ATOM 296 CG GLU A 17 -8.850 12.069 2.774 1.00 0.00 C ATOM 297 CD GLU A 17 -10.286 12.170 2.217 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.811 11.128 1.861 1.00 0.00 O ATOM 299 OE2 GLU A 17 -10.780 13.286 2.179 1.00 0.00 O ATOM 0 H GLU A 17 -5.356 10.707 0.697 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.382 13.093 2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.174 12.065 0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.935 10.538 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.822 11.359 3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.538 13.034 3.172 1.00 0.00 H new ATOM 306 N ARG A 18 -4.967 10.374 2.986 1.00 0.00 N ATOM 307 CA ARG A 18 -4.378 9.528 4.072 1.00 0.00 C ATOM 308 C ARG A 18 -2.874 9.344 3.836 1.00 0.00 C ATOM 309 O ARG A 18 -2.426 9.282 2.706 1.00 0.00 O ATOM 310 CB ARG A 18 -5.083 8.157 4.070 1.00 0.00 C ATOM 311 CG ARG A 18 -4.729 7.368 5.356 1.00 0.00 C ATOM 312 CD ARG A 18 -5.802 6.298 5.615 1.00 0.00 C ATOM 313 NE ARG A 18 -7.011 6.980 6.169 1.00 0.00 N ATOM 314 CZ ARG A 18 -8.206 6.515 5.916 1.00 0.00 C ATOM 315 NH1 ARG A 18 -8.569 5.374 6.435 1.00 0.00 N ATOM 316 NH2 ARG A 18 -9.000 7.211 5.151 1.00 0.00 N ATOM 0 H ARG A 18 -4.589 10.186 2.057 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.521 10.015 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.162 8.296 4.006 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.782 7.587 3.191 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.751 6.899 5.249 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.666 8.047 6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.049 5.775 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.432 5.549 6.316 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.903 7.813 6.748 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.923 4.856 7.030 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.499 5.000 6.245 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.684 8.100 4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.937 6.867 4.941 1.00 0.00 H new ATOM 330 N GLU A 19 -2.151 9.261 4.926 1.00 0.00 N ATOM 331 CA GLU A 19 -0.668 9.045 4.876 1.00 0.00 C ATOM 332 C GLU A 19 -0.263 7.776 4.106 1.00 0.00 C ATOM 333 O GLU A 19 0.873 7.618 3.703 1.00 0.00 O ATOM 334 CB GLU A 19 -0.152 8.989 6.335 1.00 0.00 C ATOM 335 CG GLU A 19 -0.462 7.625 7.005 1.00 0.00 C ATOM 336 CD GLU A 19 -0.371 7.789 8.533 1.00 0.00 C ATOM 337 OE1 GLU A 19 0.725 7.608 9.039 1.00 0.00 O ATOM 338 OE2 GLU A 19 -1.404 8.088 9.109 1.00 0.00 O ATOM 0 H GLU A 19 -2.533 9.335 5.869 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.215 9.872 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.924 9.163 6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.611 9.791 6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.457 7.283 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.245 6.868 6.664 1.00 0.00 H new ATOM 345 N GLU A 20 -1.231 6.916 3.937 1.00 0.00 N ATOM 346 CA GLU A 20 -1.056 5.681 3.117 1.00 0.00 C ATOM 347 C GLU A 20 -0.963 6.003 1.619 1.00 0.00 C ATOM 348 O GLU A 20 -0.046 5.564 0.949 1.00 0.00 O ATOM 349 CB GLU A 20 -2.250 4.761 3.400 1.00 0.00 C ATOM 350 CG GLU A 20 -2.012 4.078 4.764 1.00 0.00 C ATOM 351 CD GLU A 20 -3.184 3.149 5.159 1.00 0.00 C ATOM 352 OE1 GLU A 20 -3.862 2.651 4.271 1.00 0.00 O ATOM 353 OE2 GLU A 20 -3.335 2.985 6.359 1.00 0.00 O ATOM 0 H GLU A 20 -2.160 7.021 4.344 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.121 5.191 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.177 5.334 3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.351 4.014 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.089 3.500 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.878 4.839 5.532 1.00 0.00 H new ATOM 360 N ASP A 21 -1.918 6.764 1.148 1.00 0.00 N ATOM 361 CA ASP A 21 -2.034 7.027 -0.322 1.00 0.00 C ATOM 362 C ASP A 21 -1.191 8.248 -0.693 1.00 0.00 C ATOM 363 O ASP A 21 -0.962 9.111 0.134 1.00 0.00 O ATOM 364 CB ASP A 21 -3.508 7.279 -0.666 1.00 0.00 C ATOM 365 CG ASP A 21 -4.198 5.925 -0.901 1.00 0.00 C ATOM 366 OD1 ASP A 21 -4.585 5.337 0.098 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.296 5.558 -2.062 1.00 0.00 O ATOM 0 H ASP A 21 -2.628 7.219 1.722 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.671 6.167 -0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.999 7.817 0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.587 7.903 -1.556 1.00 0.00 H new ATOM 372 N ILE A 22 -0.759 8.275 -1.929 1.00 0.00 N ATOM 373 CA ILE A 22 0.059 9.429 -2.434 1.00 0.00 C ATOM 374 C ILE A 22 -0.698 10.204 -3.516 1.00 0.00 C ATOM 375 O ILE A 22 -1.769 9.809 -3.936 1.00 0.00 O ATOM 376 CB ILE A 22 1.402 8.894 -3.011 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.158 7.726 -4.025 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.306 8.407 -1.848 1.00 0.00 C ATOM 379 CD1 ILE A 22 2.155 7.820 -5.192 1.00 0.00 C ATOM 0 H ILE A 22 -0.937 7.544 -2.617 1.00 0.00 H new ATOM 0 HA ILE A 22 0.256 10.107 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 22 1.896 9.705 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.268 6.767 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.137 7.771 -4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.247 8.032 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.506 9.237 -1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.801 7.609 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.976 7.003 -5.891 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.024 8.772 -5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.173 7.752 -4.808 1.00 0.00 H new ATOM 391 N ASP A 23 -0.102 11.293 -3.933 1.00 0.00 N ATOM 392 CA ASP A 23 -0.704 12.126 -5.016 1.00 0.00 C ATOM 393 C ASP A 23 -0.717 11.338 -6.326 1.00 0.00 C ATOM 394 O ASP A 23 0.284 10.779 -6.730 1.00 0.00 O ATOM 395 CB ASP A 23 0.123 13.402 -5.192 1.00 0.00 C ATOM 396 CG ASP A 23 -0.244 14.397 -4.081 1.00 0.00 C ATOM 397 OD1 ASP A 23 -1.249 15.061 -4.276 1.00 0.00 O ATOM 398 OD2 ASP A 23 0.492 14.436 -3.112 1.00 0.00 O ATOM 0 H ASP A 23 0.783 11.642 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.727 12.388 -4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.187 13.169 -5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.070 13.843 -6.170 1.00 0.00 H new ATOM 403 N LEU A 24 -1.871 11.328 -6.940 1.00 0.00 N ATOM 404 CA LEU A 24 -2.042 10.650 -8.256 1.00 0.00 C ATOM 405 C LEU A 24 -2.508 11.665 -9.298 1.00 0.00 C ATOM 406 O LEU A 24 -3.509 12.332 -9.120 1.00 0.00 O ATOM 407 CB LEU A 24 -3.074 9.518 -8.079 1.00 0.00 C ATOM 408 CG LEU A 24 -2.371 8.317 -7.367 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.338 7.619 -6.384 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.850 7.311 -8.418 1.00 0.00 C ATOM 0 H LEU A 24 -2.716 11.769 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.099 10.227 -8.602 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.921 9.866 -7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.467 9.208 -9.047 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.526 8.700 -6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.827 6.787 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.666 8.332 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.204 7.245 -6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.362 6.478 -7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.686 6.937 -9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.135 7.807 -9.074 1.00 0.00 H new ATOM 422 N HIS A 25 -1.744 11.739 -10.357 1.00 0.00 N ATOM 423 CA HIS A 25 -2.048 12.684 -11.472 1.00 0.00 C ATOM 424 C HIS A 25 -1.990 11.917 -12.802 1.00 0.00 C ATOM 425 O HIS A 25 -1.607 10.764 -12.837 1.00 0.00 O ATOM 426 CB HIS A 25 -1.010 13.862 -11.481 1.00 0.00 C ATOM 427 CG HIS A 25 0.157 13.708 -10.491 1.00 0.00 C ATOM 428 ND1 HIS A 25 0.101 13.380 -9.237 1.00 0.00 N ATOM 429 CD2 HIS A 25 1.504 13.891 -10.724 1.00 0.00 C ATOM 430 CE1 HIS A 25 1.298 13.360 -8.740 1.00 0.00 C ATOM 431 NE2 HIS A 25 2.204 13.674 -9.628 1.00 0.00 N ATOM 0 H HIS A 25 -0.907 11.174 -10.498 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.044 13.105 -11.335 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.603 13.959 -12.487 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.535 14.791 -11.258 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.928 14.174 -11.676 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.521 13.113 -7.712 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.214 13.736 -9.503 1.00 0.00 H new ATOM 439 N LEU A 26 -2.378 12.574 -13.866 1.00 0.00 N ATOM 440 CA LEU A 26 -2.323 11.937 -15.220 1.00 0.00 C ATOM 441 C LEU A 26 -0.874 11.668 -15.643 1.00 0.00 C ATOM 442 O LEU A 26 0.028 12.378 -15.242 1.00 0.00 O ATOM 443 CB LEU A 26 -3.012 12.880 -16.227 1.00 0.00 C ATOM 444 CG LEU A 26 -4.544 12.936 -15.914 1.00 0.00 C ATOM 445 CD1 LEU A 26 -5.108 14.343 -16.252 1.00 0.00 C ATOM 446 CD2 LEU A 26 -5.295 11.835 -16.720 1.00 0.00 C ATOM 0 H LEU A 26 -2.733 13.530 -13.856 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.838 10.976 -15.193 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.579 13.878 -16.164 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.849 12.526 -17.245 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.696 12.750 -14.851 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.175 14.370 -16.030 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.594 15.095 -15.653 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.952 14.553 -17.310 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.360 11.882 -16.495 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.142 11.997 -17.787 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.909 10.854 -16.443 1.00 0.00 H new ATOM 458 N GLY A 27 -0.695 10.644 -16.441 1.00 0.00 N ATOM 459 CA GLY A 27 0.662 10.315 -16.988 1.00 0.00 C ATOM 460 C GLY A 27 1.561 9.635 -15.951 1.00 0.00 C ATOM 461 O GLY A 27 2.622 9.136 -16.279 1.00 0.00 O ATOM 0 H GLY A 27 -1.439 10.014 -16.741 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.553 9.662 -17.854 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.142 11.230 -17.337 1.00 0.00 H new ATOM 465 N ASP A 28 1.096 9.642 -14.727 1.00 0.00 N ATOM 466 CA ASP A 28 1.743 8.830 -13.654 1.00 0.00 C ATOM 467 C ASP A 28 1.642 7.350 -14.048 1.00 0.00 C ATOM 468 O ASP A 28 0.567 6.783 -14.046 1.00 0.00 O ATOM 469 CB ASP A 28 1.009 9.075 -12.310 1.00 0.00 C ATOM 470 CG ASP A 28 1.155 10.532 -11.808 1.00 0.00 C ATOM 471 OD1 ASP A 28 1.137 11.436 -12.628 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.274 10.663 -10.601 1.00 0.00 O ATOM 0 H ASP A 28 0.286 10.182 -14.423 1.00 0.00 H new ATOM 0 HA ASP A 28 2.789 9.112 -13.537 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.049 8.840 -12.430 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.403 8.394 -11.556 1.00 0.00 H new ATOM 477 N ILE A 29 2.767 6.772 -14.381 1.00 0.00 N ATOM 478 CA ILE A 29 2.838 5.288 -14.513 1.00 0.00 C ATOM 479 C ILE A 29 3.224 4.693 -13.163 1.00 0.00 C ATOM 480 O ILE A 29 3.826 5.346 -12.328 1.00 0.00 O ATOM 481 CB ILE A 29 3.888 4.948 -15.652 1.00 0.00 C ATOM 482 CG1 ILE A 29 3.311 3.816 -16.559 1.00 0.00 C ATOM 483 CG2 ILE A 29 5.314 4.535 -15.141 1.00 0.00 C ATOM 484 CD1 ILE A 29 2.266 4.404 -17.536 1.00 0.00 C ATOM 0 H ILE A 29 3.640 7.265 -14.567 1.00 0.00 H new ATOM 0 HA ILE A 29 1.878 4.856 -14.796 1.00 0.00 H new ATOM 0 HB ILE A 29 4.036 5.875 -16.206 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.117 3.340 -17.118 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.851 3.043 -15.943 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.959 4.323 -15.994 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.741 5.350 -14.557 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.233 3.645 -14.517 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.868 3.608 -18.165 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.454 4.859 -16.969 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.739 5.160 -18.163 1.00 0.00 H new ATOM 496 N LEU A 30 2.847 3.457 -13.009 1.00 0.00 N ATOM 497 CA LEU A 30 3.177 2.693 -11.774 1.00 0.00 C ATOM 498 C LEU A 30 3.802 1.370 -12.215 1.00 0.00 C ATOM 499 O LEU A 30 3.392 0.819 -13.218 1.00 0.00 O ATOM 500 CB LEU A 30 1.872 2.450 -10.980 1.00 0.00 C ATOM 501 CG LEU A 30 1.543 3.682 -10.073 1.00 0.00 C ATOM 502 CD1 LEU A 30 0.914 4.840 -10.911 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.555 3.247 -8.962 1.00 0.00 C ATOM 0 H LEU A 30 2.313 2.932 -13.701 1.00 0.00 H new ATOM 0 HA LEU A 30 3.873 3.234 -11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.048 2.269 -11.670 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.975 1.556 -10.365 1.00 0.00 H new ATOM 0 HG LEU A 30 2.469 4.046 -9.628 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.695 5.684 -10.258 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.616 5.152 -11.684 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.008 4.493 -11.377 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.322 4.102 -8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.362 2.873 -9.417 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.009 2.460 -8.359 1.00 0.00 H new ATOM 515 N THR A 31 4.769 0.905 -11.465 1.00 0.00 N ATOM 516 CA THR A 31 5.443 -0.401 -11.782 1.00 0.00 C ATOM 517 C THR A 31 5.429 -1.278 -10.522 1.00 0.00 C ATOM 518 O THR A 31 5.577 -0.771 -9.426 1.00 0.00 O ATOM 519 CB THR A 31 6.903 -0.126 -12.226 1.00 0.00 C ATOM 520 OG1 THR A 31 6.805 0.752 -13.342 1.00 0.00 O ATOM 521 CG2 THR A 31 7.594 -1.398 -12.793 1.00 0.00 C ATOM 0 H THR A 31 5.128 1.377 -10.635 1.00 0.00 H new ATOM 0 HA THR A 31 4.919 -0.915 -12.588 1.00 0.00 H new ATOM 0 HB THR A 31 7.464 0.250 -11.371 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.929 0.243 -14.170 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.614 -1.156 -13.091 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.614 -2.173 -12.027 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.039 -1.758 -13.659 1.00 0.00 H new ATOM 529 N VAL A 32 5.248 -2.562 -10.720 1.00 0.00 N ATOM 530 CA VAL A 32 5.274 -3.536 -9.581 1.00 0.00 C ATOM 531 C VAL A 32 6.553 -4.393 -9.707 1.00 0.00 C ATOM 532 O VAL A 32 7.630 -3.831 -9.774 1.00 0.00 O ATOM 533 CB VAL A 32 3.957 -4.400 -9.651 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.701 -5.087 -8.270 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.733 -3.505 -10.031 1.00 0.00 C ATOM 0 H VAL A 32 5.081 -2.982 -11.634 1.00 0.00 H new ATOM 0 HA VAL A 32 5.301 -3.040 -8.611 1.00 0.00 H new ATOM 0 HB VAL A 32 4.082 -5.164 -10.419 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.790 -5.683 -8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.543 -5.733 -8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.591 -4.324 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.833 -4.119 -10.075 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.605 -2.726 -9.280 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.906 -3.046 -11.004 1.00 0.00 H new ATOM 545 N ASN A 33 6.425 -5.699 -9.736 1.00 0.00 N ATOM 546 CA ASN A 33 7.619 -6.605 -9.650 1.00 0.00 C ATOM 547 C ASN A 33 7.746 -7.471 -10.905 1.00 0.00 C ATOM 548 O ASN A 33 7.008 -7.274 -11.846 1.00 0.00 O ATOM 549 CB ASN A 33 7.462 -7.491 -8.376 1.00 0.00 C ATOM 550 CG ASN A 33 8.731 -7.406 -7.517 1.00 0.00 C ATOM 551 OD1 ASN A 33 8.724 -6.858 -6.432 1.00 0.00 O ATOM 552 ND2 ASN A 33 9.841 -7.932 -7.960 1.00 0.00 N ATOM 0 H ASN A 33 5.531 -6.184 -9.817 1.00 0.00 H new ATOM 0 HA ASN A 33 8.530 -6.010 -9.582 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.599 -7.161 -7.798 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.276 -8.526 -8.663 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.690 -7.880 -7.397 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.859 -8.394 -8.869 1.00 0.00 H new ATOM 737 N GLU A 47 -2.848 -10.103 -12.032 1.00 0.00 N ATOM 738 CA GLU A 47 -1.979 -8.970 -12.528 1.00 0.00 C ATOM 739 C GLU A 47 -2.379 -8.397 -13.903 1.00 0.00 C ATOM 740 O GLU A 47 -1.552 -8.049 -14.726 1.00 0.00 O ATOM 741 CB GLU A 47 -0.509 -9.466 -12.564 1.00 0.00 C ATOM 742 CG GLU A 47 -0.307 -10.774 -13.392 1.00 0.00 C ATOM 743 CD GLU A 47 1.195 -11.112 -13.587 1.00 0.00 C ATOM 744 OE1 GLU A 47 2.037 -10.257 -13.356 1.00 0.00 O ATOM 745 OE2 GLU A 47 1.425 -12.247 -13.971 1.00 0.00 O ATOM 0 HA GLU A 47 -2.113 -8.142 -11.832 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.120 -8.681 -12.983 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.168 -9.637 -11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.803 -11.603 -12.887 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.783 -10.664 -14.366 1.00 0.00 H new ATOM 752 N ALA A 48 -3.668 -8.323 -14.088 1.00 0.00 N ATOM 753 CA ALA A 48 -4.255 -7.846 -15.381 1.00 0.00 C ATOM 754 C ALA A 48 -5.728 -7.440 -15.230 1.00 0.00 C ATOM 755 O ALA A 48 -6.312 -6.926 -16.164 1.00 0.00 O ATOM 756 CB ALA A 48 -4.134 -8.970 -16.450 1.00 0.00 C ATOM 0 H ALA A 48 -4.359 -8.579 -13.382 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.698 -6.963 -15.693 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.561 -8.624 -17.391 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.083 -9.220 -16.598 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.673 -9.855 -16.111 1.00 0.00 H new ATOM 762 N LYS A 49 -6.280 -7.680 -14.064 1.00 0.00 N ATOM 763 CA LYS A 49 -7.716 -7.340 -13.792 1.00 0.00 C ATOM 764 C LYS A 49 -7.826 -6.499 -12.498 1.00 0.00 C ATOM 765 O LYS A 49 -8.216 -7.013 -11.469 1.00 0.00 O ATOM 766 CB LYS A 49 -8.513 -8.662 -13.653 1.00 0.00 C ATOM 767 CG LYS A 49 -8.691 -9.351 -15.035 1.00 0.00 C ATOM 768 CD LYS A 49 -8.092 -10.773 -14.988 1.00 0.00 C ATOM 769 CE LYS A 49 -8.142 -11.409 -16.390 1.00 0.00 C ATOM 770 NZ LYS A 49 -7.618 -12.805 -16.335 1.00 0.00 N ATOM 0 H LYS A 49 -5.789 -8.104 -13.276 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.125 -6.750 -14.612 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.993 -9.335 -12.971 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.490 -8.458 -13.216 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.749 -9.400 -15.294 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.199 -8.764 -15.811 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.062 -10.732 -14.634 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.648 -11.388 -14.280 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.167 -11.411 -16.761 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.551 -10.817 -17.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.655 -13.227 -17.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.634 -12.793 -15.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.200 -13.369 -15.683 1.00 0.00 H new ATOM 784 N PRO A 50 -7.482 -5.228 -12.573 1.00 0.00 N ATOM 785 CA PRO A 50 -7.641 -4.291 -11.425 1.00 0.00 C ATOM 786 C PRO A 50 -9.089 -4.204 -10.897 1.00 0.00 C ATOM 787 O PRO A 50 -9.314 -3.718 -9.803 1.00 0.00 O ATOM 788 CB PRO A 50 -7.127 -2.934 -11.930 1.00 0.00 C ATOM 789 CG PRO A 50 -6.567 -3.145 -13.360 1.00 0.00 C ATOM 790 CD PRO A 50 -6.903 -4.586 -13.784 1.00 0.00 C ATOM 0 HA PRO A 50 -7.075 -4.645 -10.563 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.932 -2.199 -11.939 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.351 -2.549 -11.268 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.008 -2.429 -14.053 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.489 -2.982 -13.377 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.612 -4.597 -14.612 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.011 -5.115 -14.121 1.00 0.00 H new ATOM 798 N GLU A 51 -10.018 -4.677 -11.693 1.00 0.00 N ATOM 799 CA GLU A 51 -11.467 -4.654 -11.313 1.00 0.00 C ATOM 800 C GLU A 51 -11.716 -5.448 -10.018 1.00 0.00 C ATOM 801 O GLU A 51 -12.393 -4.975 -9.124 1.00 0.00 O ATOM 802 CB GLU A 51 -12.301 -5.264 -12.473 1.00 0.00 C ATOM 803 CG GLU A 51 -13.125 -4.160 -13.178 1.00 0.00 C ATOM 804 CD GLU A 51 -13.985 -4.772 -14.306 1.00 0.00 C ATOM 805 OE1 GLU A 51 -14.727 -5.694 -14.001 1.00 0.00 O ATOM 806 OE2 GLU A 51 -13.856 -4.282 -15.417 1.00 0.00 O ATOM 0 H GLU A 51 -9.829 -5.086 -12.608 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.767 -3.621 -11.135 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.639 -5.748 -13.191 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.968 -6.034 -12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.766 -3.657 -12.454 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.456 -3.405 -13.590 1.00 0.00 H new ATOM 813 N GLU A 52 -11.156 -6.630 -9.964 1.00 0.00 N ATOM 814 CA GLU A 52 -11.403 -7.557 -8.810 1.00 0.00 C ATOM 815 C GLU A 52 -10.367 -7.311 -7.708 1.00 0.00 C ATOM 816 O GLU A 52 -10.664 -7.478 -6.541 1.00 0.00 O ATOM 817 CB GLU A 52 -11.307 -9.033 -9.294 1.00 0.00 C ATOM 818 CG GLU A 52 -10.178 -9.179 -10.343 1.00 0.00 C ATOM 819 CD GLU A 52 -9.786 -10.653 -10.548 1.00 0.00 C ATOM 820 OE1 GLU A 52 -9.122 -11.163 -9.660 1.00 0.00 O ATOM 821 OE2 GLU A 52 -10.167 -11.184 -11.578 1.00 0.00 O ATOM 0 H GLU A 52 -10.529 -7.000 -10.679 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.400 -7.369 -8.411 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.113 -9.690 -8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.258 -9.344 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.504 -8.753 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.305 -8.611 -10.021 1.00 0.00 H new ATOM 828 N ILE A 53 -9.183 -6.920 -8.110 1.00 0.00 N ATOM 829 CA ILE A 53 -8.103 -6.630 -7.114 1.00 0.00 C ATOM 830 C ILE A 53 -8.489 -5.396 -6.276 1.00 0.00 C ATOM 831 O ILE A 53 -9.084 -4.465 -6.787 1.00 0.00 O ATOM 832 CB ILE A 53 -6.766 -6.354 -7.858 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.418 -7.535 -8.816 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.617 -6.190 -6.819 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.245 -7.143 -9.749 1.00 0.00 C ATOM 0 H ILE A 53 -8.917 -6.789 -9.086 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.980 -7.491 -6.456 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.877 -5.441 -8.443 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.150 -8.417 -8.234 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.292 -7.799 -9.411 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.680 -5.997 -7.341 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.842 -5.355 -6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.524 -7.104 -6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.013 -7.977 -10.412 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.528 -6.274 -10.344 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.368 -6.902 -9.149 1.00 0.00 H new ATOM 847 N GLY A 54 -8.134 -5.437 -5.015 1.00 0.00 N ATOM 848 CA GLY A 54 -8.526 -4.354 -4.065 1.00 0.00 C ATOM 849 C GLY A 54 -7.463 -3.260 -4.063 1.00 0.00 C ATOM 850 O GLY A 54 -7.451 -2.397 -4.918 1.00 0.00 O ATOM 0 H GLY A 54 -7.581 -6.187 -4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.491 -3.936 -4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.643 -4.763 -3.061 1.00 0.00 H new ATOM 854 N TRP A 55 -6.605 -3.349 -3.085 1.00 0.00 N ATOM 855 CA TRP A 55 -5.485 -2.370 -2.943 1.00 0.00 C ATOM 856 C TRP A 55 -4.233 -2.911 -3.632 1.00 0.00 C ATOM 857 O TRP A 55 -3.899 -4.073 -3.497 1.00 0.00 O ATOM 858 CB TRP A 55 -5.233 -2.142 -1.437 1.00 0.00 C ATOM 859 CG TRP A 55 -6.226 -1.072 -0.975 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.401 -1.314 -0.332 1.00 0.00 C ATOM 861 CD2 TRP A 55 -6.086 0.261 -1.156 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.896 -0.103 -0.165 1.00 0.00 N ATOM 863 CE2 TRP A 55 -7.180 0.909 -0.629 1.00 0.00 C ATOM 864 CE3 TRP A 55 -5.076 0.995 -1.750 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.274 2.283 -0.692 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -5.170 2.367 -1.809 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.269 3.009 -1.284 1.00 0.00 C ATOM 0 H TRP A 55 -6.631 -4.071 -2.365 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.741 -1.422 -3.416 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.375 -3.067 -0.878 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.207 -1.818 -1.262 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.823 -2.262 -0.033 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.791 0.047 0.301 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.215 0.493 -2.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -8.135 2.787 -0.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.379 2.942 -2.268 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.341 4.085 -1.338 1.00 0.00 H new ATOM 878 N LEU A 56 -3.586 -2.037 -4.357 1.00 0.00 N ATOM 879 CA LEU A 56 -2.280 -2.365 -5.006 1.00 0.00 C ATOM 880 C LEU A 56 -1.198 -1.446 -4.430 1.00 0.00 C ATOM 881 O LEU A 56 -1.474 -0.314 -4.080 1.00 0.00 O ATOM 882 CB LEU A 56 -2.387 -2.135 -6.516 1.00 0.00 C ATOM 883 CG LEU A 56 -3.546 -2.971 -7.148 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.786 -2.062 -7.373 1.00 0.00 C ATOM 885 CD2 LEU A 56 -3.102 -3.608 -8.505 1.00 0.00 C ATOM 0 H LEU A 56 -3.915 -1.087 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.025 -3.408 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.554 -1.076 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.444 -2.402 -6.992 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.803 -3.777 -6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.592 -2.649 -7.814 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.115 -1.653 -6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.522 -1.246 -8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.927 -4.184 -8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.820 -2.819 -9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.249 -4.265 -8.337 1.00 0.00 H new ATOM 897 N ASN A 57 -0.004 -1.971 -4.353 1.00 0.00 N ATOM 898 CA ASN A 57 1.172 -1.175 -3.886 1.00 0.00 C ATOM 899 C ASN A 57 2.179 -1.090 -5.035 1.00 0.00 C ATOM 900 O ASN A 57 2.516 -2.098 -5.627 1.00 0.00 O ATOM 901 CB ASN A 57 1.798 -1.884 -2.673 1.00 0.00 C ATOM 902 CG ASN A 57 1.148 -1.401 -1.369 1.00 0.00 C ATOM 903 OD1 ASN A 57 1.776 -1.357 -0.329 1.00 0.00 O ATOM 904 ND2 ASN A 57 -0.105 -1.034 -1.371 1.00 0.00 N ATOM 0 H ASN A 57 0.211 -2.937 -4.599 1.00 0.00 H new ATOM 0 HA ASN A 57 0.873 -0.169 -3.591 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.672 -2.962 -2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.870 -1.690 -2.645 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.545 -0.716 -0.507 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.644 -1.066 -2.236 1.00 0.00 H new ATOM 911 N GLY A 58 2.630 0.107 -5.319 1.00 0.00 N ATOM 912 CA GLY A 58 3.643 0.275 -6.408 1.00 0.00 C ATOM 913 C GLY A 58 4.411 1.596 -6.312 1.00 0.00 C ATOM 914 O GLY A 58 4.068 2.471 -5.540 1.00 0.00 O ATOM 0 H GLY A 58 2.345 0.967 -4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.350 -0.554 -6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.142 0.222 -7.374 1.00 0.00 H new ATOM 918 N TYR A 59 5.438 1.679 -7.120 1.00 0.00 N ATOM 919 CA TYR A 59 6.252 2.930 -7.227 1.00 0.00 C ATOM 920 C TYR A 59 5.666 3.817 -8.332 1.00 0.00 C ATOM 921 O TYR A 59 5.248 3.318 -9.358 1.00 0.00 O ATOM 922 CB TYR A 59 7.707 2.565 -7.584 1.00 0.00 C ATOM 923 CG TYR A 59 8.567 2.438 -6.322 1.00 0.00 C ATOM 924 CD1 TYR A 59 8.682 1.225 -5.672 1.00 0.00 C ATOM 925 CD2 TYR A 59 9.241 3.535 -5.825 1.00 0.00 C ATOM 926 CE1 TYR A 59 9.461 1.111 -4.540 1.00 0.00 C ATOM 927 CE2 TYR A 59 10.021 3.421 -4.692 1.00 0.00 C ATOM 928 CZ TYR A 59 10.138 2.207 -4.044 1.00 0.00 C ATOM 929 OH TYR A 59 10.917 2.090 -2.911 1.00 0.00 O ATOM 0 H TYR A 59 5.753 0.918 -7.722 1.00 0.00 H new ATOM 0 HA TYR A 59 6.233 3.463 -6.277 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.725 1.626 -8.137 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.127 3.328 -8.239 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.159 0.360 -6.053 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.158 4.488 -6.326 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.542 0.158 -4.038 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.543 4.286 -4.310 1.00 0.00 H new ATOM 0 HH TYR A 59 11.322 2.957 -2.702 1.00 0.00 H new ATOM 939 N ASN A 60 5.662 5.102 -8.078 1.00 0.00 N ATOM 940 CA ASN A 60 5.332 6.114 -9.135 1.00 0.00 C ATOM 941 C ASN A 60 6.619 6.828 -9.600 1.00 0.00 C ATOM 942 O ASN A 60 6.846 7.981 -9.283 1.00 0.00 O ATOM 943 CB ASN A 60 4.322 7.126 -8.534 1.00 0.00 C ATOM 944 CG ASN A 60 3.019 6.408 -8.132 1.00 0.00 C ATOM 945 OD1 ASN A 60 3.026 5.347 -7.540 1.00 0.00 O ATOM 946 ND2 ASN A 60 1.870 6.952 -8.432 1.00 0.00 N ATOM 0 H ASN A 60 5.878 5.502 -7.165 1.00 0.00 H new ATOM 0 HA ASN A 60 4.889 5.629 -10.005 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.760 7.613 -7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.105 7.908 -9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.001 6.486 -8.169 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.842 7.842 -8.929 1.00 0.00 H new ATOM 953 N GLU A 61 7.421 6.099 -10.341 1.00 0.00 N ATOM 954 CA GLU A 61 8.684 6.653 -10.950 1.00 0.00 C ATOM 955 C GLU A 61 8.494 8.048 -11.588 1.00 0.00 C ATOM 956 O GLU A 61 9.396 8.863 -11.558 1.00 0.00 O ATOM 957 CB GLU A 61 9.205 5.676 -12.037 1.00 0.00 C ATOM 958 CG GLU A 61 9.422 4.257 -11.455 1.00 0.00 C ATOM 959 CD GLU A 61 10.235 3.394 -12.445 1.00 0.00 C ATOM 960 OE1 GLU A 61 9.713 3.148 -13.521 1.00 0.00 O ATOM 961 OE2 GLU A 61 11.338 3.023 -12.071 1.00 0.00 O ATOM 0 H GLU A 61 7.252 5.117 -10.557 1.00 0.00 H new ATOM 0 HA GLU A 61 9.401 6.762 -10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.492 5.629 -12.860 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.142 6.051 -12.448 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.947 4.323 -10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.459 3.786 -11.256 1.00 0.00 H new ATOM 968 N THR A 62 7.324 8.266 -12.138 1.00 0.00 N ATOM 969 CA THR A 62 6.992 9.550 -12.846 1.00 0.00 C ATOM 970 C THR A 62 7.303 10.779 -11.982 1.00 0.00 C ATOM 971 O THR A 62 7.923 11.724 -12.434 1.00 0.00 O ATOM 972 CB THR A 62 5.480 9.539 -13.207 1.00 0.00 C ATOM 973 OG1 THR A 62 5.265 8.290 -13.853 1.00 0.00 O ATOM 974 CG2 THR A 62 5.135 10.597 -14.283 1.00 0.00 C ATOM 0 H THR A 62 6.561 7.589 -12.127 1.00 0.00 H new ATOM 0 HA THR A 62 7.607 9.617 -13.744 1.00 0.00 H new ATOM 0 HB THR A 62 4.893 9.723 -12.307 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.406 8.392 -14.817 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.069 10.555 -14.506 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.390 11.590 -13.912 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.703 10.392 -15.190 1.00 0.00 H new ATOM 982 N THR A 63 6.853 10.708 -10.752 1.00 0.00 N ATOM 983 CA THR A 63 7.052 11.826 -9.776 1.00 0.00 C ATOM 984 C THR A 63 8.181 11.433 -8.787 1.00 0.00 C ATOM 985 O THR A 63 8.598 12.216 -7.949 1.00 0.00 O ATOM 986 CB THR A 63 5.663 12.123 -9.023 1.00 0.00 C ATOM 987 OG1 THR A 63 5.945 12.235 -7.634 1.00 0.00 O ATOM 988 CG2 THR A 63 4.570 11.007 -9.105 1.00 0.00 C ATOM 0 H THR A 63 6.346 9.906 -10.377 1.00 0.00 H new ATOM 0 HA THR A 63 7.354 12.741 -10.286 1.00 0.00 H new ATOM 0 HB THR A 63 5.269 13.011 -9.517 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.115 12.418 -7.146 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.682 11.326 -8.559 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.310 10.829 -10.148 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.955 10.087 -8.665 1.00 0.00 H new ATOM 996 N GLY A 64 8.646 10.221 -8.931 1.00 0.00 N ATOM 997 CA GLY A 64 9.648 9.664 -7.973 1.00 0.00 C ATOM 998 C GLY A 64 9.039 9.565 -6.570 1.00 0.00 C ATOM 999 O GLY A 64 9.634 9.977 -5.592 1.00 0.00 O ATOM 0 H GLY A 64 8.372 9.585 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.973 8.679 -8.307 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.533 10.300 -7.950 1.00 0.00 H new ATOM 1003 N GLU A 65 7.855 9.015 -6.539 1.00 0.00 N ATOM 1004 CA GLU A 65 7.160 8.721 -5.250 1.00 0.00 C ATOM 1005 C GLU A 65 6.907 7.213 -5.134 1.00 0.00 C ATOM 1006 O GLU A 65 7.232 6.452 -6.025 1.00 0.00 O ATOM 1007 CB GLU A 65 5.827 9.514 -5.230 1.00 0.00 C ATOM 1008 CG GLU A 65 5.593 10.175 -3.853 1.00 0.00 C ATOM 1009 CD GLU A 65 6.607 11.318 -3.649 1.00 0.00 C ATOM 1010 OE1 GLU A 65 6.385 12.356 -4.254 1.00 0.00 O ATOM 1011 OE2 GLU A 65 7.546 11.091 -2.904 1.00 0.00 O ATOM 0 H GLU A 65 7.328 8.751 -7.371 1.00 0.00 H new ATOM 0 HA GLU A 65 7.773 9.023 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.844 10.279 -6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.998 8.844 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.576 10.562 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.700 9.435 -3.060 1.00 0.00 H new ATOM 1018 N ARG A 66 6.330 6.836 -4.021 1.00 0.00 N ATOM 1019 CA ARG A 66 5.939 5.412 -3.783 1.00 0.00 C ATOM 1020 C ARG A 66 4.716 5.412 -2.865 1.00 0.00 C ATOM 1021 O ARG A 66 4.687 6.151 -1.901 1.00 0.00 O ATOM 1022 CB ARG A 66 7.113 4.675 -3.109 1.00 0.00 C ATOM 1023 CG ARG A 66 6.829 3.146 -3.023 1.00 0.00 C ATOM 1024 CD ARG A 66 7.168 2.598 -1.619 1.00 0.00 C ATOM 1025 NE ARG A 66 8.564 2.987 -1.253 1.00 0.00 N ATOM 1026 CZ ARG A 66 9.034 2.697 -0.068 1.00 0.00 C ATOM 1027 NH1 ARG A 66 8.386 3.094 0.994 1.00 0.00 N ATOM 1028 NH2 ARG A 66 10.145 2.018 0.020 1.00 0.00 N ATOM 0 H ARG A 66 6.109 7.468 -3.252 1.00 0.00 H new ATOM 0 HA ARG A 66 5.701 4.907 -4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.029 4.848 -3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.274 5.076 -2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.780 2.954 -3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.418 2.620 -3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.466 2.992 -0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.067 1.513 -1.607 1.00 0.00 H new ATOM 0 HE ARG A 66 9.150 3.479 -1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.521 3.625 0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.745 2.873 1.923 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.631 1.723 -0.827 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.527 1.782 0.936 1.00 0.00 H new ATOM 1042 N GLY A 67 3.749 4.588 -3.181 1.00 0.00 N ATOM 1043 CA GLY A 67 2.687 4.292 -2.164 1.00 0.00 C ATOM 1044 C GLY A 67 1.604 3.346 -2.672 1.00 0.00 C ATOM 1045 O GLY A 67 1.839 2.545 -3.560 1.00 0.00 O ATOM 0 H GLY A 67 3.646 4.115 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.153 3.857 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.223 5.228 -1.852 1.00 0.00 H new ATOM 1049 N ASP A 68 0.446 3.482 -2.074 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.680 2.531 -2.333 1.00 0.00 C ATOM 1051 C ASP A 68 -1.720 3.248 -3.186 1.00 0.00 C ATOM 1052 O ASP A 68 -1.781 4.463 -3.216 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.345 2.082 -1.000 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.356 2.143 0.188 1.00 0.00 C ATOM 1055 OD1 ASP A 68 0.707 1.557 0.045 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.727 2.773 1.166 1.00 0.00 O ATOM 0 H ASP A 68 0.230 4.223 -1.407 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.294 1.647 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.204 2.719 -0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.722 1.065 -1.107 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.516 2.459 -3.853 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.581 3.016 -4.732 1.00 0.00 C ATOM 1063 C PHE A 69 -4.650 1.931 -4.965 1.00 0.00 C ATOM 1064 O PHE A 69 -4.301 0.768 -5.065 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.944 3.453 -6.070 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.257 2.273 -6.785 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -1.007 1.831 -6.389 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.888 1.646 -7.843 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.401 0.780 -7.046 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.284 0.597 -8.498 1.00 0.00 C ATOM 1071 CZ PHE A 69 -1.039 0.162 -8.101 1.00 0.00 C ATOM 0 H PHE A 69 -2.473 1.440 -3.826 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.053 3.882 -4.267 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.712 3.874 -6.719 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -2.215 4.242 -5.886 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.504 2.311 -5.562 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.864 1.983 -8.159 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.575 0.440 -6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.786 0.115 -9.324 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.564 -0.661 -8.614 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.907 2.305 -5.043 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.987 1.357 -5.418 1.00 0.00 C ATOM 1083 C PRO A 70 -6.873 0.924 -6.893 1.00 0.00 C ATOM 1084 O PRO A 70 -6.328 1.647 -7.706 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.296 2.088 -5.127 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.936 3.567 -4.802 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.400 3.684 -4.773 1.00 0.00 C ATOM 0 HA PRO A 70 -6.925 0.430 -4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.965 2.035 -5.986 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.816 1.626 -4.288 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.356 4.236 -5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.359 3.861 -3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.043 4.386 -5.526 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.049 4.047 -3.807 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.398 -0.241 -7.181 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.380 -0.780 -8.580 1.00 0.00 C ATOM 1097 C GLY A 71 -8.552 -0.262 -9.429 1.00 0.00 C ATOM 1098 O GLY A 71 -8.883 -0.859 -10.434 1.00 0.00 O ATOM 0 H GLY A 71 -7.845 -0.852 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.440 -0.505 -9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.414 -1.869 -8.546 1.00 0.00 H new ATOM 1102 N THR A 72 -9.152 0.826 -9.011 1.00 0.00 N ATOM 1103 CA THR A 72 -10.317 1.411 -9.732 1.00 0.00 C ATOM 1104 C THR A 72 -9.929 2.695 -10.459 1.00 0.00 C ATOM 1105 O THR A 72 -10.459 3.012 -11.507 1.00 0.00 O ATOM 1106 CB THR A 72 -11.412 1.695 -8.702 1.00 0.00 C ATOM 1107 OG1 THR A 72 -10.768 1.982 -7.469 1.00 0.00 O ATOM 1108 CG2 THR A 72 -12.257 0.435 -8.436 1.00 0.00 C ATOM 0 H THR A 72 -8.872 1.343 -8.178 1.00 0.00 H new ATOM 0 HA THR A 72 -10.672 0.708 -10.486 1.00 0.00 H new ATOM 0 HB THR A 72 -12.039 2.505 -9.074 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.198 2.772 -7.574 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.028 0.663 -7.700 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.726 0.109 -9.364 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.616 -0.359 -8.055 1.00 0.00 H new ATOM 1116 N TYR A 73 -9.004 3.385 -9.859 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.574 4.725 -10.377 1.00 0.00 C ATOM 1118 C TYR A 73 -7.424 4.584 -11.385 1.00 0.00 C ATOM 1119 O TYR A 73 -6.948 5.566 -11.923 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.122 5.595 -9.186 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.319 6.408 -8.686 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -9.633 7.621 -9.266 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -10.100 5.933 -7.652 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -10.715 8.349 -8.816 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -11.181 6.658 -7.202 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.494 7.871 -7.781 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.578 8.595 -7.328 1.00 0.00 O ATOM 0 H TYR A 73 -8.516 3.078 -9.018 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.414 5.194 -10.890 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.732 4.966 -8.386 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.314 6.261 -9.490 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.029 8.002 -10.076 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.862 4.985 -7.192 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.954 9.297 -9.275 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.786 6.276 -6.393 1.00 0.00 H new ATOM 0 HH TYR A 73 -13.013 8.109 -6.596 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.025 3.358 -11.607 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.920 3.045 -12.563 1.00 0.00 C ATOM 1139 C VAL A 74 -6.438 2.089 -13.638 1.00 0.00 C ATOM 1140 O VAL A 74 -7.597 1.718 -13.638 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.745 2.412 -11.766 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.226 3.438 -10.715 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.198 1.099 -11.049 1.00 0.00 C ATOM 0 H VAL A 74 -7.430 2.539 -11.153 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.566 3.950 -13.057 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.946 2.159 -12.462 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.402 2.998 -10.154 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.879 4.337 -11.225 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.034 3.698 -10.030 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.357 0.676 -10.499 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.009 1.324 -10.356 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.544 0.380 -11.791 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.552 1.723 -14.526 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.868 0.670 -15.531 1.00 0.00 C ATOM 1155 C GLU A 75 -4.571 -0.087 -15.797 1.00 0.00 C ATOM 1156 O GLU A 75 -3.583 0.500 -16.195 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.406 1.372 -16.805 1.00 0.00 C ATOM 1158 CG GLU A 75 -6.678 0.378 -17.965 1.00 0.00 C ATOM 1159 CD GLU A 75 -7.482 -0.845 -17.477 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -8.671 -0.663 -17.269 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -6.867 -1.890 -17.338 1.00 0.00 O ATOM 0 H GLU A 75 -4.613 2.114 -14.597 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.627 -0.034 -15.190 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.327 1.902 -16.562 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.685 2.121 -17.134 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.227 0.884 -18.759 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.732 0.047 -18.393 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.614 -1.373 -15.564 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.512 -2.267 -16.020 1.00 0.00 C ATOM 1170 C TYR A 76 -3.309 -2.079 -17.531 1.00 0.00 C ATOM 1171 O TYR A 76 -4.228 -2.293 -18.298 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.903 -3.717 -15.700 1.00 0.00 C ATOM 1173 CG TYR A 76 -3.001 -4.703 -16.452 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.735 -4.996 -15.991 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.460 -5.314 -17.603 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -0.939 -5.891 -16.672 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.664 -6.206 -18.283 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.398 -6.501 -17.820 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.604 -7.401 -18.498 1.00 0.00 O ATOM 0 H TYR A 76 -5.373 -1.845 -15.073 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.578 -2.026 -15.512 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.824 -3.891 -14.627 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.944 -3.887 -15.975 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.366 -4.522 -15.093 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.450 -5.090 -17.971 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.051 -6.116 -16.304 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.031 -6.677 -19.183 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.170 -8.064 -18.946 1.00 0.00 H new ATOM 1189 N ILE A 77 -2.121 -1.686 -17.914 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.850 -1.483 -19.372 1.00 0.00 C ATOM 1191 C ILE A 77 -1.318 -2.772 -19.999 1.00 0.00 C ATOM 1192 O ILE A 77 -1.883 -3.246 -20.967 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.807 -0.331 -19.584 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.172 -0.174 -18.383 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.563 1.001 -19.804 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.467 0.522 -18.848 1.00 0.00 C ATOM 0 H ILE A 77 -1.335 -1.499 -17.291 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.787 -1.208 -19.855 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.208 -0.590 -20.457 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.300 0.408 -17.592 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.405 -1.152 -17.963 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.844 1.807 -19.952 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.200 0.917 -20.684 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.178 1.219 -18.931 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.147 0.628 -18.003 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.944 -0.077 -19.624 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.227 1.508 -19.247 1.00 0.00 H new ATOM 1208 N GLY A 78 -0.258 -3.304 -19.438 1.00 0.00 N ATOM 1209 CA GLY A 78 0.426 -4.454 -20.105 1.00 0.00 C ATOM 1210 C GLY A 78 1.472 -5.088 -19.193 1.00 0.00 C ATOM 1211 O GLY A 78 1.962 -4.461 -18.270 1.00 0.00 O ATOM 0 H GLY A 78 0.158 -2.996 -18.559 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.313 -5.203 -20.389 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.902 -4.112 -21.024 1.00 0.00 H new ATOM 1215 N ARG A 79 1.776 -6.325 -19.493 1.00 0.00 N ATOM 1216 CA ARG A 79 2.908 -7.036 -18.817 1.00 0.00 C ATOM 1217 C ARG A 79 4.249 -6.755 -19.513 1.00 0.00 C ATOM 1218 O ARG A 79 4.282 -6.270 -20.629 1.00 0.00 O ATOM 1219 CB ARG A 79 2.611 -8.560 -18.818 1.00 0.00 C ATOM 1220 CG ARG A 79 2.437 -9.121 -20.259 1.00 0.00 C ATOM 1221 CD ARG A 79 0.941 -9.461 -20.503 1.00 0.00 C ATOM 1222 NE ARG A 79 0.744 -10.143 -21.825 1.00 0.00 N ATOM 1223 CZ ARG A 79 1.491 -9.865 -22.861 1.00 0.00 C ATOM 1224 NH1 ARG A 79 1.153 -8.879 -23.643 1.00 0.00 N ATOM 1225 NH2 ARG A 79 2.554 -10.587 -23.075 1.00 0.00 N ATOM 0 H ARG A 79 1.281 -6.883 -20.189 1.00 0.00 H new ATOM 0 HA ARG A 79 2.992 -6.670 -17.794 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.424 -9.088 -18.320 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.706 -8.753 -18.242 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.779 -8.388 -20.990 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.050 -10.013 -20.391 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.577 -10.104 -19.702 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.348 -8.547 -20.472 1.00 0.00 H new ATOM 0 HE ARG A 79 0.007 -10.842 -21.918 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.314 -8.334 -23.443 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.727 -8.652 -24.455 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.788 -11.351 -22.440 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.152 -10.389 -23.877 1.00 0.00 H new