USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 586 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 74 LYS NZ :NH3+ 174:sc= 1.1 (180deg=0) USER MOD Set 1.2: A 76 ASN : amide:sc= 0.653 K(o=1.8,f=-4.2) USER MOD Single : A 9 TYR OH : rot -152:sc= 0.527 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0.779 (180deg=0.721) USER MOD Single : A 19 MET CE :methyl -116:sc=-0.00134 (180deg=-0.398) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00216) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.63) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 THR OG1 : rot 30:sc= 0.374 USER MOD Single : A 52 HIS : no HD1:sc= -0.0823 X(o=-0.082,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0269 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 67:sc= 0.0905 USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= 1.21 (180deg=0.928) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= -0.0429 (180deg=-0.224) USER MOD Single : A 82 ASN : amide:sc= -0.704 K(o=-0.7,f=-5.1!) USER MOD Single : A 90 ASN : amide:sc= 0.098 X(o=0.098,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 9 -5.477 -6.530 -9.401 1.00 0.00 N ATOM 82 CA TYR A 9 -4.333 -5.624 -9.380 1.00 0.00 C ATOM 83 C TYR A 9 -3.297 -6.123 -10.389 1.00 0.00 C ATOM 84 O TYR A 9 -3.310 -7.306 -10.741 1.00 0.00 O ATOM 85 CB TYR A 9 -3.734 -5.532 -7.968 1.00 0.00 C ATOM 86 CG TYR A 9 -4.717 -5.283 -6.839 1.00 0.00 C ATOM 87 CD1 TYR A 9 -5.256 -3.998 -6.645 1.00 0.00 C ATOM 88 CD2 TYR A 9 -5.080 -6.329 -5.969 1.00 0.00 C ATOM 89 CE1 TYR A 9 -6.172 -3.764 -5.603 1.00 0.00 C ATOM 90 CE2 TYR A 9 -5.999 -6.100 -4.928 1.00 0.00 C ATOM 91 CZ TYR A 9 -6.548 -4.816 -4.738 1.00 0.00 C ATOM 92 OH TYR A 9 -7.414 -4.588 -3.714 1.00 0.00 O ATOM 0 HA TYR A 9 -4.654 -4.620 -9.657 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.202 -6.460 -7.760 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.994 -4.732 -7.961 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.966 -3.188 -7.298 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.651 -7.311 -6.101 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.589 -2.777 -5.464 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.284 -6.910 -4.273 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.235 -5.220 -2.987 1.00 0.00 H new ATOM 102 N LYS A 10 -2.388 -5.267 -10.859 1.00 0.00 N ATOM 103 CA LYS A 10 -1.346 -5.645 -11.820 1.00 0.00 C ATOM 104 C LYS A 10 -0.066 -4.846 -11.592 1.00 0.00 C ATOM 105 O LYS A 10 -0.062 -3.894 -10.812 1.00 0.00 O ATOM 106 CB LYS A 10 -1.882 -5.487 -13.253 1.00 0.00 C ATOM 107 CG LYS A 10 -2.234 -4.037 -13.635 1.00 0.00 C ATOM 108 CD LYS A 10 -2.869 -4.031 -15.027 1.00 0.00 C ATOM 109 CE LYS A 10 -3.166 -2.603 -15.489 1.00 0.00 C ATOM 110 NZ LYS A 10 -3.697 -2.570 -16.865 1.00 0.00 N ATOM 0 H LYS A 10 -2.352 -4.286 -10.583 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.085 -6.693 -11.669 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.136 -5.865 -13.952 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.771 -6.108 -13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.922 -3.611 -12.905 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.338 -3.417 -13.627 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.199 -4.515 -15.738 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.792 -4.611 -15.012 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.886 -2.144 -14.811 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.255 -2.007 -15.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.885 -1.585 -17.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.000 -2.985 -17.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.580 -3.117 -16.909 1.00 0.00 H new ATOM 124 N ALA A 11 1.020 -5.242 -12.262 1.00 0.00 N ATOM 125 CA ALA A 11 2.317 -4.581 -12.169 1.00 0.00 C ATOM 126 C ALA A 11 2.157 -3.083 -12.443 1.00 0.00 C ATOM 127 O ALA A 11 1.610 -2.693 -13.476 1.00 0.00 O ATOM 128 CB ALA A 11 3.304 -5.219 -13.153 1.00 0.00 C ATOM 0 H ALA A 11 1.019 -6.043 -12.893 1.00 0.00 H new ATOM 0 HA ALA A 11 2.715 -4.705 -11.162 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.269 -4.719 -13.076 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.423 -6.276 -12.915 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.922 -5.117 -14.169 1.00 0.00 H new ATOM 134 N GLY A 12 2.619 -2.264 -11.499 1.00 0.00 N ATOM 135 CA GLY A 12 2.542 -0.812 -11.566 1.00 0.00 C ATOM 136 C GLY A 12 1.377 -0.242 -10.758 1.00 0.00 C ATOM 137 O GLY A 12 1.324 0.979 -10.570 1.00 0.00 O ATOM 0 H GLY A 12 3.067 -2.603 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.476 -0.386 -11.199 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.440 -0.506 -12.607 1.00 0.00 H new ATOM 141 N ASP A 13 0.464 -1.077 -10.247 1.00 0.00 N ATOM 142 CA ASP A 13 -0.460 -0.664 -9.190 1.00 0.00 C ATOM 143 C ASP A 13 0.308 -0.568 -7.871 1.00 0.00 C ATOM 144 O ASP A 13 1.340 -1.229 -7.680 1.00 0.00 O ATOM 145 CB ASP A 13 -1.636 -1.646 -9.005 1.00 0.00 C ATOM 146 CG ASP A 13 -2.716 -1.585 -10.082 1.00 0.00 C ATOM 147 OD1 ASP A 13 -2.986 -0.483 -10.622 1.00 0.00 O ATOM 148 OD2 ASP A 13 -3.356 -2.628 -10.331 1.00 0.00 O ATOM 0 H ASP A 13 0.347 -2.044 -10.551 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.878 0.299 -9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.238 -2.660 -8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.100 -1.453 -8.038 1.00 0.00 H new ATOM 153 N LEU A 14 -0.253 0.179 -6.923 1.00 0.00 N ATOM 154 CA LEU A 14 0.188 0.249 -5.540 1.00 0.00 C ATOM 155 C LEU A 14 -0.950 -0.271 -4.686 1.00 0.00 C ATOM 156 O LEU A 14 -2.116 -0.112 -5.072 1.00 0.00 O ATOM 157 CB LEU A 14 0.523 1.705 -5.196 1.00 0.00 C ATOM 158 CG LEU A 14 1.794 2.213 -5.889 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.981 3.700 -5.575 1.00 0.00 C ATOM 160 CD2 LEU A 14 3.003 1.382 -5.437 1.00 0.00 C ATOM 0 H LEU A 14 -1.060 0.775 -7.109 1.00 0.00 H new ATOM 0 HA LEU A 14 1.083 -0.348 -5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.316 2.341 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.644 1.798 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 14 1.702 2.101 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.883 4.065 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.119 4.260 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.074 3.835 -4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.902 1.748 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.122 1.471 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.844 0.336 -5.700 1.00 0.00 H new ATOM 172 N VAL A 15 -0.631 -0.870 -3.534 1.00 0.00 N ATOM 173 CA VAL A 15 -1.635 -1.479 -2.670 1.00 0.00 C ATOM 174 C VAL A 15 -1.264 -1.328 -1.197 1.00 0.00 C ATOM 175 O VAL A 15 -0.158 -0.916 -0.844 1.00 0.00 O ATOM 176 CB VAL A 15 -1.845 -2.959 -3.075 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.441 -3.040 -4.483 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.561 -3.803 -3.009 1.00 0.00 C ATOM 0 H VAL A 15 0.323 -0.944 -3.181 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.582 -0.957 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.536 -3.380 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.585 -4.085 -4.758 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.401 -2.525 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.762 -2.568 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.784 -4.828 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.185 -3.384 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.173 -3.796 -1.990 1.00 0.00 H new ATOM 188 N PHE A 16 -2.175 -1.737 -0.320 1.00 0.00 N ATOM 189 CA PHE A 16 -1.836 -2.111 1.039 1.00 0.00 C ATOM 190 C PHE A 16 -2.001 -3.619 1.142 1.00 0.00 C ATOM 191 O PHE A 16 -3.010 -4.165 0.690 1.00 0.00 O ATOM 192 CB PHE A 16 -2.716 -1.366 2.038 1.00 0.00 C ATOM 193 CG PHE A 16 -2.464 0.128 2.045 1.00 0.00 C ATOM 194 CD1 PHE A 16 -1.446 0.669 2.855 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.206 0.967 1.193 1.00 0.00 C ATOM 196 CE1 PHE A 16 -1.172 2.047 2.813 1.00 0.00 C ATOM 197 CE2 PHE A 16 -2.937 2.344 1.158 1.00 0.00 C ATOM 198 CZ PHE A 16 -1.918 2.883 1.963 1.00 0.00 C ATOM 0 H PHE A 16 -3.169 -1.817 -0.536 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.809 -1.837 1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.764 -1.552 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.540 -1.764 3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.876 0.025 3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.982 0.552 0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.391 2.463 3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.513 2.990 0.512 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.708 3.942 1.929 1.00 0.00 H new ATOM 208 N ALA A 17 -1.015 -4.284 1.738 1.00 0.00 N ATOM 209 CA ALA A 17 -0.970 -5.720 1.927 1.00 0.00 C ATOM 210 C ALA A 17 -1.154 -6.016 3.404 1.00 0.00 C ATOM 211 O ALA A 17 -0.443 -5.461 4.243 1.00 0.00 O ATOM 212 CB ALA A 17 0.366 -6.260 1.409 1.00 0.00 C ATOM 0 H ALA A 17 -0.194 -3.811 2.116 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.767 -6.211 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.401 -7.340 1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.465 -6.030 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.184 -5.795 1.959 1.00 0.00 H new ATOM 218 N LYS A 18 -2.123 -6.859 3.754 1.00 0.00 N ATOM 219 CA LYS A 18 -2.415 -7.149 5.149 1.00 0.00 C ATOM 220 C LYS A 18 -1.875 -8.538 5.462 1.00 0.00 C ATOM 221 O LYS A 18 -2.498 -9.533 5.086 1.00 0.00 O ATOM 222 CB LYS A 18 -3.935 -7.010 5.331 1.00 0.00 C ATOM 223 CG LYS A 18 -4.452 -7.295 6.747 1.00 0.00 C ATOM 224 CD LYS A 18 -3.929 -6.272 7.761 1.00 0.00 C ATOM 225 CE LYS A 18 -4.600 -6.430 9.124 1.00 0.00 C ATOM 226 NZ LYS A 18 -4.196 -7.701 9.764 1.00 0.00 N ATOM 0 H LYS A 18 -2.718 -7.352 3.088 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.937 -6.463 5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.227 -5.998 5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.431 -7.688 4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.542 -7.281 6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.147 -8.296 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.851 -6.388 7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.104 -5.264 7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.330 -5.592 9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.683 -6.405 9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.727 -7.828 10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.399 -8.493 9.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.177 -7.676 9.972 1.00 0.00 H new ATOM 240 N MET A 19 -0.764 -8.608 6.198 1.00 0.00 N ATOM 241 CA MET A 19 -0.336 -9.849 6.835 1.00 0.00 C ATOM 242 C MET A 19 -1.177 -10.092 8.092 1.00 0.00 C ATOM 243 O MET A 19 -1.951 -9.234 8.544 1.00 0.00 O ATOM 244 CB MET A 19 1.176 -9.837 7.150 1.00 0.00 C ATOM 245 CG MET A 19 2.007 -10.456 6.020 1.00 0.00 C ATOM 246 SD MET A 19 3.623 -11.107 6.531 1.00 0.00 S ATOM 247 CE MET A 19 4.482 -9.572 6.969 1.00 0.00 C ATOM 0 H MET A 19 -0.144 -7.815 6.366 1.00 0.00 H new ATOM 0 HA MET A 19 -0.497 -10.674 6.141 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.502 -8.811 7.319 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.357 -10.385 8.075 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.433 -11.264 5.566 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.162 -9.703 5.248 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.327 -9.424 6.297 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.794 -8.731 6.878 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.842 -9.637 7.996 1.00 0.00 H new ATOM 257 N LYS A 20 -1.034 -11.288 8.661 1.00 0.00 N ATOM 258 CA LYS A 20 -1.639 -11.683 9.916 1.00 0.00 C ATOM 259 C LYS A 20 -1.025 -10.813 11.002 1.00 0.00 C ATOM 260 O LYS A 20 0.200 -10.679 11.054 1.00 0.00 O ATOM 261 CB LYS A 20 -1.354 -13.180 10.135 1.00 0.00 C ATOM 262 CG LYS A 20 -2.601 -14.037 9.884 1.00 0.00 C ATOM 263 CD LYS A 20 -2.259 -15.525 9.740 1.00 0.00 C ATOM 264 CE LYS A 20 -3.538 -16.365 9.679 1.00 0.00 C ATOM 265 NZ LYS A 20 -4.149 -16.547 11.015 1.00 0.00 N ATOM 0 H LYS A 20 -0.473 -12.029 8.240 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.720 -11.546 9.927 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.553 -13.499 9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.003 -13.338 11.155 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.303 -13.905 10.707 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.102 -13.691 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.669 -15.683 8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.645 -15.846 10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.256 -15.884 9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.310 -17.340 9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.993 -17.149 10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.462 -16.999 11.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.422 -15.621 11.401 1.00 0.00 H new ATOM 279 N GLY A 21 -1.850 -10.208 11.856 1.00 0.00 N ATOM 280 CA GLY A 21 -1.404 -9.461 13.023 1.00 0.00 C ATOM 281 C GLY A 21 -0.856 -8.077 12.680 1.00 0.00 C ATOM 282 O GLY A 21 -1.256 -7.090 13.304 1.00 0.00 O ATOM 0 H GLY A 21 -2.864 -10.226 11.751 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.238 -9.353 13.717 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.632 -10.032 13.539 1.00 0.00 H new ATOM 286 N TYR A 22 0.031 -7.982 11.692 1.00 0.00 N ATOM 287 CA TYR A 22 0.492 -6.739 11.093 1.00 0.00 C ATOM 288 C TYR A 22 -0.699 -5.908 10.611 1.00 0.00 C ATOM 289 O TYR A 22 -1.751 -6.457 10.273 1.00 0.00 O ATOM 290 CB TYR A 22 1.445 -7.068 9.931 1.00 0.00 C ATOM 291 CG TYR A 22 2.802 -7.556 10.405 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.727 -6.626 10.918 1.00 0.00 C ATOM 293 CD2 TYR A 22 3.134 -8.925 10.365 1.00 0.00 C ATOM 294 CE1 TYR A 22 4.973 -7.056 11.404 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.377 -9.363 10.859 1.00 0.00 C ATOM 296 CZ TYR A 22 5.296 -8.430 11.392 1.00 0.00 C ATOM 297 OH TYR A 22 6.486 -8.838 11.912 1.00 0.00 O ATOM 0 H TYR A 22 0.464 -8.805 11.272 1.00 0.00 H new ATOM 0 HA TYR A 22 1.028 -6.147 11.835 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.990 -7.830 9.299 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.578 -6.180 9.314 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.477 -5.576 10.938 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.434 -9.638 9.955 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.682 -6.337 11.786 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.629 -10.413 10.831 1.00 0.00 H new ATOM 0 HH TYR A 22 6.562 -9.812 11.831 1.00 0.00 H new ATOM 307 N PRO A 23 -0.546 -4.578 10.576 1.00 0.00 N ATOM 308 CA PRO A 23 -1.507 -3.671 9.971 1.00 0.00 C ATOM 309 C PRO A 23 -1.474 -3.825 8.443 1.00 0.00 C ATOM 310 O PRO A 23 -0.639 -4.548 7.898 1.00 0.00 O ATOM 311 CB PRO A 23 -1.064 -2.281 10.445 1.00 0.00 C ATOM 312 CG PRO A 23 0.448 -2.430 10.637 1.00 0.00 C ATOM 313 CD PRO A 23 0.626 -3.871 11.052 1.00 0.00 C ATOM 0 HA PRO A 23 -2.541 -3.864 10.258 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.301 -1.512 9.709 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.560 -1.997 11.373 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.990 -2.210 9.717 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.822 -1.746 11.399 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.535 -4.290 10.621 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.718 -3.955 12.135 1.00 0.00 H new ATOM 321 N HIS A 24 -2.369 -3.130 7.737 1.00 0.00 N ATOM 322 CA HIS A 24 -2.318 -2.991 6.283 1.00 0.00 C ATOM 323 C HIS A 24 -1.021 -2.245 5.921 1.00 0.00 C ATOM 324 O HIS A 24 -0.946 -1.020 6.069 1.00 0.00 O ATOM 325 CB HIS A 24 -3.575 -2.269 5.751 1.00 0.00 C ATOM 326 CG HIS A 24 -4.875 -2.660 6.409 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.421 -2.058 7.516 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.747 -3.625 5.977 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.586 -2.666 7.760 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.824 -3.652 6.876 1.00 0.00 N ATOM 0 H HIS A 24 -3.157 -2.644 8.165 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.311 -3.972 5.808 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.435 -1.195 5.873 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.657 -2.460 4.681 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.627 -4.250 5.104 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.253 -2.399 8.566 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.622 -4.287 6.862 1.00 0.00 H new ATOM 338 N TRP A 25 0.021 -2.986 5.548 1.00 0.00 N ATOM 339 CA TRP A 25 1.359 -2.491 5.262 1.00 0.00 C ATOM 340 C TRP A 25 1.383 -1.887 3.855 1.00 0.00 C ATOM 341 O TRP A 25 0.734 -2.443 2.967 1.00 0.00 O ATOM 342 CB TRP A 25 2.356 -3.648 5.425 1.00 0.00 C ATOM 343 CG TRP A 25 3.745 -3.222 5.791 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.720 -2.833 4.940 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.323 -3.122 7.126 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.841 -2.454 5.652 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.649 -2.612 7.011 1.00 0.00 C ATOM 348 CE3 TRP A 25 3.854 -3.424 8.424 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.449 -2.384 8.140 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.655 -3.203 9.562 1.00 0.00 C ATOM 351 CH2 TRP A 25 5.953 -2.683 9.420 1.00 0.00 C ATOM 0 H TRP A 25 -0.053 -3.997 5.433 1.00 0.00 H new ATOM 0 HA TRP A 25 1.647 -1.702 5.957 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.983 -4.327 6.192 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.396 -4.211 4.493 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.635 -2.820 3.863 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.700 -2.103 5.229 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.862 -3.832 8.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.444 -1.980 8.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.271 -3.434 10.545 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.567 -2.514 10.292 1.00 0.00 H new ATOM 362 N PRO A 26 2.073 -0.760 3.614 1.00 0.00 N ATOM 363 CA PRO A 26 2.220 -0.223 2.266 1.00 0.00 C ATOM 364 C PRO A 26 3.038 -1.206 1.422 1.00 0.00 C ATOM 365 O PRO A 26 4.110 -1.644 1.846 1.00 0.00 O ATOM 366 CB PRO A 26 2.916 1.131 2.441 1.00 0.00 C ATOM 367 CG PRO A 26 3.679 0.995 3.756 1.00 0.00 C ATOM 368 CD PRO A 26 2.783 0.071 4.576 1.00 0.00 C ATOM 0 HA PRO A 26 1.272 -0.088 1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.589 1.343 1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.194 1.947 2.482 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.670 0.567 3.606 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.819 1.960 4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.374 -0.540 5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.085 0.645 5.186 1.00 0.00 H new ATOM 376 N ALA A 27 2.542 -1.578 0.243 1.00 0.00 N ATOM 377 CA ALA A 27 3.233 -2.504 -0.638 1.00 0.00 C ATOM 378 C ALA A 27 3.021 -2.109 -2.097 1.00 0.00 C ATOM 379 O ALA A 27 2.132 -1.326 -2.442 1.00 0.00 O ATOM 380 CB ALA A 27 2.746 -3.932 -0.358 1.00 0.00 C ATOM 0 H ALA A 27 1.651 -1.244 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 27 4.305 -2.464 -0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.263 -4.629 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.956 -4.191 0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.672 -3.992 -0.537 1.00 0.00 H new ATOM 386 N ARG A 28 3.826 -2.683 -2.983 1.00 0.00 N ATOM 387 CA ARG A 28 3.732 -2.443 -4.418 1.00 0.00 C ATOM 388 C ARG A 28 3.366 -3.760 -5.086 1.00 0.00 C ATOM 389 O ARG A 28 3.775 -4.813 -4.587 1.00 0.00 O ATOM 390 CB ARG A 28 5.053 -1.804 -4.891 1.00 0.00 C ATOM 391 CG ARG A 28 6.218 -2.776 -5.121 1.00 0.00 C ATOM 392 CD ARG A 28 7.522 -2.097 -5.567 1.00 0.00 C ATOM 393 NE ARG A 28 7.505 -1.754 -6.998 1.00 0.00 N ATOM 394 CZ ARG A 28 8.012 -0.662 -7.582 1.00 0.00 C ATOM 395 NH1 ARG A 28 8.690 0.245 -6.882 1.00 0.00 N ATOM 396 NH2 ARG A 28 7.790 -0.482 -8.877 1.00 0.00 N ATOM 0 H ARG A 28 4.568 -3.333 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 28 2.950 -1.735 -4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.863 -1.267 -5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.362 -1.064 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.405 -3.327 -4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.925 -3.506 -5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.679 -1.192 -4.979 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.363 -2.759 -5.363 1.00 0.00 H new ATOM 0 HE ARG A 28 7.054 -2.427 -7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.832 0.115 -5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.068 1.070 -7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.245 -1.167 -9.401 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.164 0.341 -9.349 1.00 0.00 H new ATOM 410 N ILE A 29 2.612 -3.713 -6.188 1.00 0.00 N ATOM 411 CA ILE A 29 2.553 -4.853 -7.092 1.00 0.00 C ATOM 412 C ILE A 29 3.813 -4.742 -7.942 1.00 0.00 C ATOM 413 O ILE A 29 3.966 -3.784 -8.719 1.00 0.00 O ATOM 414 CB ILE A 29 1.271 -4.874 -7.947 1.00 0.00 C ATOM 415 CG1 ILE A 29 -0.037 -4.732 -7.141 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.240 -6.180 -8.764 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.252 -5.790 -6.053 1.00 0.00 C ATOM 0 H ILE A 29 2.046 -2.912 -6.468 1.00 0.00 H new ATOM 0 HA ILE A 29 2.513 -5.794 -6.543 1.00 0.00 H new ATOM 0 HB ILE A 29 1.314 -3.997 -8.593 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.053 -3.747 -6.675 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.878 -4.770 -7.834 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.337 -6.207 -9.374 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.116 -6.225 -9.411 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.245 -7.033 -8.086 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.198 -5.602 -5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.274 -6.780 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.563 -5.741 -5.331 1.00 0.00 H new ATOM 429 N ASP A 30 4.757 -5.643 -7.706 1.00 0.00 N ATOM 430 CA ASP A 30 5.995 -5.690 -8.465 1.00 0.00 C ATOM 431 C ASP A 30 5.761 -6.382 -9.815 1.00 0.00 C ATOM 432 O ASP A 30 4.630 -6.732 -10.179 1.00 0.00 O ATOM 433 CB ASP A 30 7.111 -6.358 -7.644 1.00 0.00 C ATOM 434 CG ASP A 30 8.372 -5.526 -7.823 1.00 0.00 C ATOM 435 OD1 ASP A 30 8.897 -5.415 -8.957 1.00 0.00 O ATOM 436 OD2 ASP A 30 8.755 -4.861 -6.841 1.00 0.00 O ATOM 0 H ASP A 30 4.685 -6.360 -6.984 1.00 0.00 H new ATOM 0 HA ASP A 30 6.327 -4.674 -8.676 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.833 -6.411 -6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.276 -7.381 -7.982 1.00 0.00 H new ATOM 441 N GLU A 31 6.836 -6.595 -10.568 1.00 0.00 N ATOM 442 CA GLU A 31 6.864 -7.424 -11.755 1.00 0.00 C ATOM 443 C GLU A 31 7.785 -8.625 -11.522 1.00 0.00 C ATOM 444 O GLU A 31 8.356 -8.804 -10.438 1.00 0.00 O ATOM 445 CB GLU A 31 7.171 -6.564 -12.991 1.00 0.00 C ATOM 446 CG GLU A 31 8.525 -5.831 -13.046 1.00 0.00 C ATOM 447 CD GLU A 31 9.698 -6.692 -13.536 1.00 0.00 C ATOM 448 OE1 GLU A 31 9.496 -7.702 -14.247 1.00 0.00 O ATOM 449 OE2 GLU A 31 10.850 -6.342 -13.212 1.00 0.00 O ATOM 0 H GLU A 31 7.742 -6.177 -10.355 1.00 0.00 H new ATOM 0 HA GLU A 31 5.887 -7.859 -11.964 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.103 -7.206 -13.869 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.383 -5.816 -13.081 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.428 -4.965 -13.701 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.759 -5.453 -12.051 1.00 0.00 H new ATOM 597 N ASN A 42 -3.735 -16.443 -8.985 1.00 0.00 N ATOM 598 CA ASN A 42 -4.487 -15.393 -8.320 1.00 0.00 C ATOM 599 C ASN A 42 -3.727 -14.854 -7.092 1.00 0.00 C ATOM 600 O ASN A 42 -4.360 -14.470 -6.100 1.00 0.00 O ATOM 601 CB ASN A 42 -5.892 -15.899 -7.952 1.00 0.00 C ATOM 602 CG ASN A 42 -6.668 -16.613 -9.059 1.00 0.00 C ATOM 603 OD1 ASN A 42 -6.680 -16.227 -10.226 1.00 0.00 O ATOM 604 ND2 ASN A 42 -7.319 -17.707 -8.705 1.00 0.00 N ATOM 0 HA ASN A 42 -4.603 -14.556 -9.009 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.799 -16.580 -7.106 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.484 -15.049 -7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.838 -18.240 -9.403 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.303 -18.019 -7.734 1.00 0.00 H new ATOM 611 N LYS A 43 -2.383 -14.839 -7.127 1.00 0.00 N ATOM 612 CA LYS A 43 -1.537 -14.122 -6.169 1.00 0.00 C ATOM 613 C LYS A 43 -0.507 -13.316 -6.948 1.00 0.00 C ATOM 614 O LYS A 43 -0.056 -13.752 -8.010 1.00 0.00 O ATOM 615 CB LYS A 43 -0.835 -15.065 -5.175 1.00 0.00 C ATOM 616 CG LYS A 43 -1.784 -16.009 -4.417 1.00 0.00 C ATOM 617 CD LYS A 43 -1.128 -16.624 -3.167 1.00 0.00 C ATOM 618 CE LYS A 43 -1.856 -17.914 -2.761 1.00 0.00 C ATOM 619 NZ LYS A 43 -1.201 -18.598 -1.622 1.00 0.00 N ATOM 0 H LYS A 43 -1.848 -15.337 -7.839 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.173 -13.467 -5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.102 -15.664 -5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.284 -14.465 -4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.678 -15.460 -4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.107 -16.808 -5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.078 -16.839 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.156 -15.909 -2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.887 -17.678 -2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.894 -18.591 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.729 -19.462 -1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.226 -18.848 -1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.188 -17.964 -0.798 1.00 0.00 H new ATOM 633 N TYR A 44 -0.123 -12.164 -6.407 1.00 0.00 N ATOM 634 CA TYR A 44 0.763 -11.201 -7.051 1.00 0.00 C ATOM 635 C TYR A 44 2.110 -11.160 -6.329 1.00 0.00 C ATOM 636 O TYR A 44 2.138 -11.468 -5.135 1.00 0.00 O ATOM 637 CB TYR A 44 0.111 -9.816 -7.026 1.00 0.00 C ATOM 638 CG TYR A 44 -1.238 -9.804 -7.700 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.322 -10.044 -9.083 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.408 -9.641 -6.939 1.00 0.00 C ATOM 641 CE1 TYR A 44 -2.576 -10.171 -9.701 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.664 -9.732 -7.558 1.00 0.00 C ATOM 643 CZ TYR A 44 -3.754 -10.021 -8.936 1.00 0.00 C ATOM 644 OH TYR A 44 -4.976 -10.173 -9.505 1.00 0.00 O ATOM 0 H TYR A 44 -0.429 -11.866 -5.481 1.00 0.00 H new ATOM 0 HA TYR A 44 0.932 -11.502 -8.085 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.001 -9.488 -5.992 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.767 -9.099 -7.520 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.420 -10.131 -9.671 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.341 -9.446 -5.879 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.640 -10.383 -10.758 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.563 -9.581 -6.979 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.915 -10.812 -10.246 1.00 0.00 H new ATOM 654 N PRO A 45 3.211 -10.799 -7.015 1.00 0.00 N ATOM 655 CA PRO A 45 4.479 -10.470 -6.381 1.00 0.00 C ATOM 656 C PRO A 45 4.304 -9.190 -5.564 1.00 0.00 C ATOM 657 O PRO A 45 4.384 -8.085 -6.100 1.00 0.00 O ATOM 658 CB PRO A 45 5.484 -10.318 -7.526 1.00 0.00 C ATOM 659 CG PRO A 45 4.617 -9.858 -8.694 1.00 0.00 C ATOM 660 CD PRO A 45 3.282 -10.554 -8.451 1.00 0.00 C ATOM 0 HA PRO A 45 4.832 -11.231 -5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.258 -9.589 -7.288 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.989 -11.259 -7.746 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.506 -8.774 -8.708 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.050 -10.146 -9.652 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.451 -9.931 -8.782 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.222 -11.488 -9.009 1.00 0.00 H new ATOM 668 N ILE A 46 4.021 -9.331 -4.272 1.00 0.00 N ATOM 669 CA ILE A 46 3.966 -8.210 -3.346 1.00 0.00 C ATOM 670 C ILE A 46 5.392 -7.956 -2.862 1.00 0.00 C ATOM 671 O ILE A 46 6.137 -8.907 -2.600 1.00 0.00 O ATOM 672 CB ILE A 46 2.980 -8.536 -2.197 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.588 -8.966 -2.717 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.792 -7.363 -1.227 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.952 -7.986 -3.717 1.00 0.00 C ATOM 0 H ILE A 46 3.823 -10.233 -3.838 1.00 0.00 H new ATOM 0 HA ILE A 46 3.592 -7.301 -3.817 1.00 0.00 H new ATOM 0 HB ILE A 46 3.441 -9.368 -1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.677 -9.943 -3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.917 -9.085 -1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.091 -7.648 -0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.751 -7.104 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.400 -6.502 -1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.021 -8.365 -4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.827 -7.013 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.599 -7.885 -4.588 1.00 0.00 H new ATOM 687 N PHE A 47 5.755 -6.682 -2.712 1.00 0.00 N ATOM 688 CA PHE A 47 6.976 -6.233 -2.058 1.00 0.00 C ATOM 689 C PHE A 47 6.570 -5.239 -0.972 1.00 0.00 C ATOM 690 O PHE A 47 5.849 -4.278 -1.259 1.00 0.00 O ATOM 691 CB PHE A 47 7.943 -5.647 -3.090 1.00 0.00 C ATOM 692 CG PHE A 47 9.119 -4.887 -2.506 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.240 -5.610 -2.060 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.132 -3.475 -2.454 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.401 -4.937 -1.647 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.278 -2.808 -1.985 1.00 0.00 C ATOM 697 CZ PHE A 47 11.421 -3.533 -1.607 1.00 0.00 C ATOM 0 H PHE A 47 5.184 -5.910 -3.056 1.00 0.00 H new ATOM 0 HA PHE A 47 7.513 -7.057 -1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.325 -6.458 -3.709 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.388 -4.978 -3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.208 -6.689 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.267 -2.912 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.278 -5.498 -1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.280 -1.730 -1.915 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.312 -3.013 -1.287 1.00 0.00 H new ATOM 707 N PHE A 48 6.947 -5.523 0.276 1.00 0.00 N ATOM 708 CA PHE A 48 6.557 -4.767 1.462 1.00 0.00 C ATOM 709 C PHE A 48 7.544 -3.626 1.661 1.00 0.00 C ATOM 710 O PHE A 48 8.642 -3.846 2.190 1.00 0.00 O ATOM 711 CB PHE A 48 6.533 -5.669 2.705 1.00 0.00 C ATOM 712 CG PHE A 48 5.453 -6.727 2.697 1.00 0.00 C ATOM 713 CD1 PHE A 48 5.649 -7.925 1.990 1.00 0.00 C ATOM 714 CD2 PHE A 48 4.258 -6.525 3.413 1.00 0.00 C ATOM 715 CE1 PHE A 48 4.648 -8.906 1.989 1.00 0.00 C ATOM 716 CE2 PHE A 48 3.255 -7.510 3.411 1.00 0.00 C ATOM 717 CZ PHE A 48 3.449 -8.704 2.696 1.00 0.00 C ATOM 0 H PHE A 48 7.553 -6.314 0.494 1.00 0.00 H new ATOM 0 HA PHE A 48 5.552 -4.370 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.502 -6.159 2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.404 -5.044 3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.569 -8.090 1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.111 -5.609 3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.799 -9.824 1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.338 -7.349 3.958 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.681 -9.463 2.689 1.00 0.00 H new ATOM 727 N PHE A 49 7.146 -2.428 1.235 1.00 0.00 N ATOM 728 CA PHE A 49 7.964 -1.230 1.269 1.00 0.00 C ATOM 729 C PHE A 49 8.525 -0.981 2.678 1.00 0.00 C ATOM 730 O PHE A 49 7.891 -1.284 3.699 1.00 0.00 O ATOM 731 CB PHE A 49 7.134 -0.040 0.744 1.00 0.00 C ATOM 732 CG PHE A 49 7.183 0.185 -0.758 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.442 0.318 -1.370 1.00 0.00 C ATOM 734 CD2 PHE A 49 6.022 0.401 -1.533 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.553 0.651 -2.723 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.143 0.837 -2.862 1.00 0.00 C ATOM 737 CZ PHE A 49 7.403 0.931 -3.467 1.00 0.00 C ATOM 0 H PHE A 49 6.217 -2.266 0.846 1.00 0.00 H new ATOM 0 HA PHE A 49 8.830 -1.357 0.619 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.095 -0.188 1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.479 0.867 1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.337 0.160 -0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.045 0.231 -1.105 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.525 0.692 -3.192 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.258 1.102 -3.422 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.486 1.219 -4.505 1.00 0.00 H new ATOM 747 N GLY A 50 9.751 -0.455 2.741 1.00 0.00 N ATOM 748 CA GLY A 50 10.489 -0.180 3.973 1.00 0.00 C ATOM 749 C GLY A 50 11.043 -1.431 4.672 1.00 0.00 C ATOM 750 O GLY A 50 12.107 -1.365 5.290 1.00 0.00 O ATOM 0 H GLY A 50 10.275 -0.200 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.317 0.491 3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.833 0.348 4.665 1.00 0.00 H new ATOM 754 N THR A 51 10.359 -2.574 4.603 1.00 0.00 N ATOM 755 CA THR A 51 10.845 -3.845 5.160 1.00 0.00 C ATOM 756 C THR A 51 11.549 -4.720 4.114 1.00 0.00 C ATOM 757 O THR A 51 12.227 -5.685 4.471 1.00 0.00 O ATOM 758 CB THR A 51 9.690 -4.582 5.853 1.00 0.00 C ATOM 759 OG1 THR A 51 8.472 -4.510 5.126 1.00 0.00 O ATOM 760 CG2 THR A 51 9.432 -3.942 7.218 1.00 0.00 C ATOM 0 H THR A 51 9.445 -2.648 4.156 1.00 0.00 H new ATOM 0 HA THR A 51 11.608 -3.618 5.905 1.00 0.00 H new ATOM 0 HB THR A 51 9.992 -5.627 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.666 -4.446 4.168 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.613 -4.462 7.714 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.331 -4.015 7.830 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.168 -2.893 7.084 1.00 0.00 H new ATOM 768 N HIS A 52 11.422 -4.364 2.830 1.00 0.00 N ATOM 769 CA HIS A 52 12.106 -4.962 1.689 1.00 0.00 C ATOM 770 C HIS A 52 11.879 -6.473 1.562 1.00 0.00 C ATOM 771 O HIS A 52 12.741 -7.182 1.041 1.00 0.00 O ATOM 772 CB HIS A 52 13.601 -4.582 1.683 1.00 0.00 C ATOM 773 CG HIS A 52 13.890 -3.112 1.867 1.00 0.00 C ATOM 774 ND1 HIS A 52 15.037 -2.579 2.407 1.00 0.00 N ATOM 775 CD2 HIS A 52 13.076 -2.071 1.520 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.913 -1.240 2.388 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.722 -0.882 1.871 1.00 0.00 N ATOM 0 H HIS A 52 10.801 -3.605 2.549 1.00 0.00 H new ATOM 0 HA HIS A 52 11.652 -4.538 0.793 1.00 0.00 H new ATOM 0 HB2 HIS A 52 14.104 -5.137 2.475 1.00 0.00 H new ATOM 0 HB3 HIS A 52 14.038 -4.907 0.739 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.104 -2.152 1.056 1.00 0.00 H new ATOM 0 HE1 HIS A 52 15.664 -0.548 2.739 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.363 0.066 1.758 1.00 0.00 H new ATOM 785 N GLU A 53 10.762 -6.984 2.075 1.00 0.00 N ATOM 786 CA GLU A 53 10.394 -8.392 1.973 1.00 0.00 C ATOM 787 C GLU A 53 9.532 -8.615 0.731 1.00 0.00 C ATOM 788 O GLU A 53 8.920 -7.670 0.226 1.00 0.00 O ATOM 789 CB GLU A 53 9.635 -8.804 3.239 1.00 0.00 C ATOM 790 CG GLU A 53 10.531 -8.771 4.489 1.00 0.00 C ATOM 791 CD GLU A 53 10.411 -10.067 5.288 1.00 0.00 C ATOM 792 OE1 GLU A 53 11.139 -11.030 4.940 1.00 0.00 O ATOM 793 OE2 GLU A 53 9.554 -10.125 6.201 1.00 0.00 O ATOM 0 H GLU A 53 10.077 -6.422 2.581 1.00 0.00 H new ATOM 0 HA GLU A 53 11.291 -9.004 1.880 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.786 -8.137 3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.232 -9.809 3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.569 -8.618 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.252 -7.926 5.118 1.00 0.00 H new ATOM 800 N THR A 54 9.425 -9.867 0.285 1.00 0.00 N ATOM 801 CA THR A 54 8.589 -10.279 -0.836 1.00 0.00 C ATOM 802 C THR A 54 7.690 -11.437 -0.402 1.00 0.00 C ATOM 803 O THR A 54 8.117 -12.295 0.377 1.00 0.00 O ATOM 804 CB THR A 54 9.455 -10.631 -2.066 1.00 0.00 C ATOM 805 OG1 THR A 54 10.692 -11.248 -1.736 1.00 0.00 O ATOM 806 CG2 THR A 54 9.821 -9.372 -2.854 1.00 0.00 C ATOM 0 H THR A 54 9.934 -10.643 0.708 1.00 0.00 H new ATOM 0 HA THR A 54 7.946 -9.452 -1.138 1.00 0.00 H new ATOM 0 HB THR A 54 8.839 -11.322 -2.641 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.189 -11.445 -2.558 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.431 -9.646 -3.715 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.911 -8.879 -3.196 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.383 -8.692 -2.213 1.00 0.00 H new ATOM 814 N ALA A 55 6.448 -11.464 -0.892 1.00 0.00 N ATOM 815 CA ALA A 55 5.524 -12.573 -0.699 1.00 0.00 C ATOM 816 C ALA A 55 4.549 -12.654 -1.868 1.00 0.00 C ATOM 817 O ALA A 55 4.477 -11.741 -2.690 1.00 0.00 O ATOM 818 CB ALA A 55 4.728 -12.387 0.596 1.00 0.00 C ATOM 0 H ALA A 55 6.054 -10.701 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 55 6.106 -13.493 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.042 -13.224 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.414 -12.346 1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.160 -11.458 0.544 1.00 0.00 H new ATOM 824 N PHE A 56 3.727 -13.707 -1.868 1.00 0.00 N ATOM 825 CA PHE A 56 2.625 -13.864 -2.801 1.00 0.00 C ATOM 826 C PHE A 56 1.331 -13.850 -2.010 1.00 0.00 C ATOM 827 O PHE A 56 1.012 -14.821 -1.320 1.00 0.00 O ATOM 828 CB PHE A 56 2.795 -15.139 -3.640 1.00 0.00 C ATOM 829 CG PHE A 56 4.146 -15.205 -4.314 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.490 -14.230 -5.270 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.097 -16.156 -3.900 1.00 0.00 C ATOM 832 CE1 PHE A 56 5.795 -14.174 -5.781 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.401 -16.104 -4.416 1.00 0.00 C ATOM 834 CZ PHE A 56 6.755 -15.095 -5.325 1.00 0.00 C ATOM 0 H PHE A 56 3.815 -14.480 -1.209 1.00 0.00 H new ATOM 0 HA PHE A 56 2.606 -13.040 -3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.667 -16.012 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.011 -15.181 -4.396 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.747 -13.524 -5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.825 -16.922 -3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.060 -13.430 -6.518 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.132 -16.840 -4.114 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.774 -15.025 -5.677 1.00 0.00 H new ATOM 844 N LEU A 57 0.572 -12.761 -2.117 1.00 0.00 N ATOM 845 CA LEU A 57 -0.777 -12.659 -1.569 1.00 0.00 C ATOM 846 C LEU A 57 -1.729 -12.435 -2.733 1.00 0.00 C ATOM 847 O LEU A 57 -1.348 -11.871 -3.759 1.00 0.00 O ATOM 848 CB LEU A 57 -0.893 -11.521 -0.540 1.00 0.00 C ATOM 849 CG LEU A 57 -0.001 -11.685 0.707 1.00 0.00 C ATOM 850 CD1 LEU A 57 -0.072 -10.410 1.553 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.425 -12.880 1.571 1.00 0.00 C ATOM 0 H LEU A 57 0.882 -11.914 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.027 -13.577 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.640 -10.580 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.932 -11.444 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 57 1.017 -11.866 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.558 -10.523 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.278 -9.562 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.102 -10.236 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.233 -12.954 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.453 -12.740 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.357 -13.796 0.984 1.00 0.00 H new ATOM 863 N GLY A 58 -2.964 -12.902 -2.578 1.00 0.00 N ATOM 864 CA GLY A 58 -4.015 -12.726 -3.554 1.00 0.00 C ATOM 865 C GLY A 58 -4.828 -11.476 -3.261 1.00 0.00 C ATOM 866 O GLY A 58 -4.778 -10.955 -2.146 1.00 0.00 O ATOM 0 H GLY A 58 -3.260 -13.422 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.581 -12.656 -4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.669 -13.598 -3.551 1.00 0.00 H new ATOM 870 N PRO A 59 -5.624 -11.020 -4.238 1.00 0.00 N ATOM 871 CA PRO A 59 -6.349 -9.760 -4.151 1.00 0.00 C ATOM 872 C PRO A 59 -7.307 -9.734 -2.956 1.00 0.00 C ATOM 873 O PRO A 59 -7.526 -8.679 -2.366 1.00 0.00 O ATOM 874 CB PRO A 59 -7.055 -9.573 -5.503 1.00 0.00 C ATOM 875 CG PRO A 59 -6.985 -10.934 -6.195 1.00 0.00 C ATOM 876 CD PRO A 59 -5.858 -11.694 -5.501 1.00 0.00 C ATOM 0 HA PRO A 59 -5.674 -8.924 -3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.089 -9.256 -5.365 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.563 -8.804 -6.099 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.931 -11.468 -6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.783 -10.821 -7.260 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.135 -12.736 -5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.956 -11.695 -6.113 1.00 0.00 H new ATOM 884 N LYS A 60 -7.798 -10.902 -2.535 1.00 0.00 N ATOM 885 CA LYS A 60 -8.670 -11.073 -1.383 1.00 0.00 C ATOM 886 C LYS A 60 -8.059 -10.642 -0.045 1.00 0.00 C ATOM 887 O LYS A 60 -8.795 -10.614 0.946 1.00 0.00 O ATOM 888 CB LYS A 60 -9.132 -12.537 -1.355 1.00 0.00 C ATOM 889 CG LYS A 60 -8.109 -13.499 -0.734 1.00 0.00 C ATOM 890 CD LYS A 60 -8.618 -14.937 -0.828 1.00 0.00 C ATOM 891 CE LYS A 60 -7.907 -15.785 0.228 1.00 0.00 C ATOM 892 NZ LYS A 60 -8.544 -17.105 0.376 1.00 0.00 N ATOM 0 H LYS A 60 -7.589 -11.782 -3.007 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.518 -10.398 -1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.065 -12.603 -0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.348 -12.859 -2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.153 -13.409 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.935 -13.234 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.696 -14.966 -0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.430 -15.339 -1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.861 -15.913 -0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.921 -15.263 1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.038 -17.655 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.535 -16.982 0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.509 -17.611 -0.532 1.00 0.00 H new ATOM 906 N ASP A 61 -6.756 -10.360 0.026 1.00 0.00 N ATOM 907 CA ASP A 61 -6.023 -9.967 1.241 1.00 0.00 C ATOM 908 C ASP A 61 -5.316 -8.614 1.035 1.00 0.00 C ATOM 909 O ASP A 61 -4.482 -8.221 1.858 1.00 0.00 O ATOM 910 CB ASP A 61 -5.017 -11.072 1.648 1.00 0.00 C ATOM 911 CG ASP A 61 -5.667 -12.227 2.424 1.00 0.00 C ATOM 912 OD1 ASP A 61 -6.011 -12.031 3.620 1.00 0.00 O ATOM 913 OD2 ASP A 61 -5.829 -13.345 1.879 1.00 0.00 O ATOM 0 H ASP A 61 -6.153 -10.400 -0.796 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.737 -9.848 2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.540 -11.468 0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.230 -10.630 2.259 1.00 0.00 H new ATOM 918 N LEU A 62 -5.613 -7.900 -0.062 1.00 0.00 N ATOM 919 CA LEU A 62 -4.940 -6.676 -0.508 1.00 0.00 C ATOM 920 C LEU A 62 -5.986 -5.598 -0.793 1.00 0.00 C ATOM 921 O LEU A 62 -7.108 -5.929 -1.176 1.00 0.00 O ATOM 922 CB LEU A 62 -4.174 -6.946 -1.816 1.00 0.00 C ATOM 923 CG LEU A 62 -3.103 -8.044 -1.757 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.554 -8.301 -3.160 1.00 0.00 C ATOM 925 CD2 LEU A 62 -1.966 -7.684 -0.805 1.00 0.00 C ATOM 0 H LEU A 62 -6.367 -8.177 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.252 -6.351 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.896 -7.212 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.697 -6.018 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.573 -8.949 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.794 -9.081 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.364 -8.621 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.112 -7.385 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.231 -8.489 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.490 -6.762 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.364 -7.543 0.200 1.00 0.00 H new ATOM 937 N PHE A 63 -5.605 -4.322 -0.686 1.00 0.00 N ATOM 938 CA PHE A 63 -6.509 -3.187 -0.875 1.00 0.00 C ATOM 939 C PHE A 63 -5.889 -2.125 -1.798 1.00 0.00 C ATOM 940 O PHE A 63 -4.668 -1.946 -1.758 1.00 0.00 O ATOM 941 CB PHE A 63 -6.862 -2.593 0.495 1.00 0.00 C ATOM 942 CG PHE A 63 -7.780 -3.487 1.307 1.00 0.00 C ATOM 943 CD1 PHE A 63 -9.167 -3.443 1.074 1.00 0.00 C ATOM 944 CD2 PHE A 63 -7.254 -4.409 2.234 1.00 0.00 C ATOM 945 CE1 PHE A 63 -10.028 -4.313 1.762 1.00 0.00 C ATOM 946 CE2 PHE A 63 -8.118 -5.274 2.932 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.504 -5.224 2.696 1.00 0.00 C ATOM 0 H PHE A 63 -4.649 -4.046 -0.463 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.420 -3.535 -1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.944 -2.417 1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.340 -1.624 0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.571 -2.737 0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.189 -4.452 2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -11.091 -4.282 1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.717 -5.976 3.648 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.167 -5.886 3.233 1.00 0.00 H new ATOM 957 N PRO A 64 -6.703 -1.394 -2.587 1.00 0.00 N ATOM 958 CA PRO A 64 -6.238 -0.425 -3.579 1.00 0.00 C ATOM 959 C PRO A 64 -5.580 0.775 -2.906 1.00 0.00 C ATOM 960 O PRO A 64 -6.210 1.443 -2.084 1.00 0.00 O ATOM 961 CB PRO A 64 -7.488 0.011 -4.354 1.00 0.00 C ATOM 962 CG PRO A 64 -8.655 -0.322 -3.424 1.00 0.00 C ATOM 963 CD PRO A 64 -8.155 -1.514 -2.625 1.00 0.00 C ATOM 0 HA PRO A 64 -5.487 -0.862 -4.237 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.458 1.075 -4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.572 -0.521 -5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.902 0.519 -2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.556 -0.567 -3.986 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.573 -1.511 -1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.457 -2.451 -3.093 1.00 0.00 H new ATOM 971 N TYR A 65 -4.340 1.096 -3.277 1.00 0.00 N ATOM 972 CA TYR A 65 -3.615 2.206 -2.679 1.00 0.00 C ATOM 973 C TYR A 65 -4.372 3.519 -2.808 1.00 0.00 C ATOM 974 O TYR A 65 -4.673 4.116 -1.782 1.00 0.00 O ATOM 975 CB TYR A 65 -2.227 2.339 -3.288 1.00 0.00 C ATOM 976 CG TYR A 65 -1.475 3.567 -2.821 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.070 3.675 -1.478 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.227 4.623 -3.718 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.429 4.838 -1.018 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.560 5.775 -3.273 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.154 5.886 -1.926 1.00 0.00 C ATOM 982 OH TYR A 65 0.485 7.009 -1.511 1.00 0.00 O ATOM 0 H TYR A 65 -3.817 0.595 -3.996 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.516 1.984 -1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.645 1.451 -3.041 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.317 2.370 -4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.253 2.858 -0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.549 4.547 -4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.149 4.930 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.357 6.580 -3.964 1.00 0.00 H new ATOM 0 HH TYR A 65 0.592 7.623 -2.267 1.00 0.00 H new ATOM 992 N LYS A 66 -4.708 3.968 -4.023 1.00 0.00 N ATOM 993 CA LYS A 66 -5.307 5.290 -4.236 1.00 0.00 C ATOM 994 C LYS A 66 -6.572 5.493 -3.411 1.00 0.00 C ATOM 995 O LYS A 66 -6.866 6.641 -3.088 1.00 0.00 O ATOM 996 CB LYS A 66 -5.607 5.522 -5.726 1.00 0.00 C ATOM 997 CG LYS A 66 -4.393 6.004 -6.537 1.00 0.00 C ATOM 998 CD LYS A 66 -4.302 7.534 -6.672 1.00 0.00 C ATOM 999 CE LYS A 66 -3.347 7.883 -7.826 1.00 0.00 C ATOM 1000 NZ LYS A 66 -3.090 9.331 -7.964 1.00 0.00 N ATOM 0 H LYS A 66 -4.574 3.430 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.574 6.023 -3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.977 4.594 -6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.407 6.257 -5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.483 5.636 -6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.435 5.563 -7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.290 7.954 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.943 7.973 -5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.399 7.368 -7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.765 7.506 -8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.440 9.494 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.986 9.827 -8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.663 9.693 -7.088 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.308 4.429 -3.078 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.465 4.525 -2.200 1.00 0.00 C ATOM 1016 C GLU A 67 -7.987 4.821 -0.773 1.00 0.00 C ATOM 1017 O GLU A 67 -8.316 5.861 -0.210 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.298 3.224 -2.271 1.00 0.00 C ATOM 1019 CG GLU A 67 -10.810 3.412 -2.417 1.00 0.00 C ATOM 1020 CD GLU A 67 -11.379 4.433 -1.441 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -11.491 4.128 -0.234 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -11.659 5.576 -1.870 1.00 0.00 O ATOM 0 H GLU A 67 -7.116 3.484 -3.410 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.113 5.340 -2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.941 2.631 -3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.108 2.643 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.035 3.727 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.306 2.454 -2.263 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.181 3.927 -0.196 1.00 0.00 N ATOM 1030 CA TYR A 68 -6.783 3.913 1.210 1.00 0.00 C ATOM 1031 C TYR A 68 -5.510 4.724 1.479 1.00 0.00 C ATOM 1032 O TYR A 68 -4.916 4.609 2.549 1.00 0.00 O ATOM 1033 CB TYR A 68 -6.628 2.459 1.658 1.00 0.00 C ATOM 1034 CG TYR A 68 -7.910 1.659 1.678 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.379 1.049 0.507 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -8.639 1.527 2.870 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -9.563 0.294 0.515 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -9.782 0.713 2.910 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.235 0.070 1.738 1.00 0.00 C ATOM 1040 OH TYR A 68 -11.295 -0.775 1.821 1.00 0.00 O ATOM 0 H TYR A 68 -6.769 3.157 -0.723 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.563 4.401 1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.918 1.964 0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.193 2.446 2.658 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.823 1.161 -0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.320 2.053 3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -9.957 -0.112 -0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.316 0.579 3.839 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.995 -1.694 1.659 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.063 5.544 0.533 1.00 0.00 N ATOM 1051 CA LYS A 69 -3.799 6.263 0.548 1.00 0.00 C ATOM 1052 C LYS A 69 -3.656 7.152 1.783 1.00 0.00 C ATOM 1053 O LYS A 69 -2.533 7.408 2.204 1.00 0.00 O ATOM 1054 CB LYS A 69 -3.728 7.037 -0.783 1.00 0.00 C ATOM 1055 CG LYS A 69 -2.710 8.169 -0.745 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.547 8.896 -2.084 1.00 0.00 C ATOM 1057 CE LYS A 69 -3.742 9.785 -2.453 1.00 0.00 C ATOM 1058 NZ LYS A 69 -4.002 10.846 -1.456 1.00 0.00 N ATOM 0 H LYS A 69 -5.605 5.733 -0.310 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.953 5.580 0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.470 6.348 -1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.712 7.445 -1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.010 8.890 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.744 7.767 -0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.647 9.510 -2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.397 8.158 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.560 10.244 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.632 9.164 -2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.465 11.653 -1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.622 10.475 -0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.102 11.157 -1.037 1.00 0.00 H new ATOM 1072 N ASP A 70 -4.760 7.566 2.395 1.00 0.00 N ATOM 1073 CA ASP A 70 -4.779 8.419 3.576 1.00 0.00 C ATOM 1074 C ASP A 70 -5.353 7.612 4.750 1.00 0.00 C ATOM 1075 O ASP A 70 -4.869 7.715 5.872 1.00 0.00 O ATOM 1076 CB ASP A 70 -5.564 9.713 3.280 1.00 0.00 C ATOM 1077 CG ASP A 70 -5.001 10.506 2.085 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -5.233 10.096 0.922 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -4.296 11.523 2.293 1.00 0.00 O ATOM 0 H ASP A 70 -5.693 7.309 2.073 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.772 8.734 3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.606 9.461 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.553 10.348 4.166 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.331 6.725 4.501 1.00 0.00 N ATOM 1085 CA LYS A 71 -6.960 5.881 5.529 1.00 0.00 C ATOM 1086 C LYS A 71 -6.006 4.840 6.114 1.00 0.00 C ATOM 1087 O LYS A 71 -6.048 4.537 7.310 1.00 0.00 O ATOM 1088 CB LYS A 71 -8.191 5.190 4.916 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.030 4.432 5.960 1.00 0.00 C ATOM 1090 CD LYS A 71 -10.364 3.937 5.385 1.00 0.00 C ATOM 1091 CE LYS A 71 -11.303 5.123 5.142 1.00 0.00 C ATOM 1092 NZ LYS A 71 -11.809 5.203 3.758 1.00 0.00 N ATOM 0 H LYS A 71 -6.712 6.573 3.567 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.252 6.526 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.816 5.937 4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.864 4.494 4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.460 3.582 6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.223 5.085 6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.191 3.403 4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.827 3.231 6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.149 5.052 5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.777 6.047 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.437 6.027 3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.009 5.301 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.338 4.337 3.531 1.00 0.00 H new ATOM 1106 N PHE A 72 -5.229 4.186 5.252 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.233 3.181 5.595 1.00 0.00 C ATOM 1108 C PHE A 72 -2.834 3.778 5.426 1.00 0.00 C ATOM 1109 O PHE A 72 -1.895 3.343 6.100 1.00 0.00 O ATOM 1110 CB PHE A 72 -4.362 1.938 4.690 1.00 0.00 C ATOM 1111 CG PHE A 72 -5.585 1.046 4.848 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -6.600 1.315 5.781 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -5.710 -0.086 4.024 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -7.687 0.442 5.936 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -6.806 -0.955 4.163 1.00 0.00 C ATOM 1116 CZ PHE A 72 -7.788 -0.707 5.136 1.00 0.00 C ATOM 0 H PHE A 72 -5.282 4.353 4.247 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.395 2.876 6.629 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.331 2.278 3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.478 1.320 4.849 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.543 2.207 6.388 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.957 -0.290 3.277 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.448 0.654 6.672 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.893 -1.817 3.519 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.612 -1.393 5.267 1.00 0.00 H new ATOM 1126 N GLY A 73 -2.666 4.764 4.548 1.00 0.00 N ATOM 1127 CA GLY A 73 -1.406 5.468 4.407 1.00 0.00 C ATOM 1128 C GLY A 73 -1.320 6.536 5.487 1.00 0.00 C ATOM 1129 O GLY A 73 -1.542 7.718 5.223 1.00 0.00 O ATOM 0 H GLY A 73 -3.399 5.092 3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.572 4.772 4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.336 5.923 3.419 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.086 6.104 6.728 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.003 6.961 7.894 1.00 0.00 C ATOM 1135 C LYS A 74 -0.066 6.327 8.910 1.00 0.00 C ATOM 1136 O LYS A 74 -0.132 5.116 9.156 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.422 7.237 8.427 1.00 0.00 C ATOM 1138 CG LYS A 74 -3.269 6.005 8.772 1.00 0.00 C ATOM 1139 CD LYS A 74 -3.152 5.570 10.234 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.386 4.063 10.314 1.00 0.00 C ATOM 1141 NZ LYS A 74 -3.939 3.649 11.615 1.00 0.00 N ATOM 0 H LYS A 74 -0.946 5.118 6.947 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.578 7.934 7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.338 7.856 9.320 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.959 7.824 7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.314 6.219 8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.968 5.177 8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.166 5.821 10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.882 6.099 10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.069 3.761 9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.444 3.542 10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.175 2.637 11.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.235 3.819 12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.798 4.199 11.818 1.00 0.00 H new ATOM 1155 N SER A 75 0.839 7.121 9.467 1.00 0.00 N ATOM 1156 CA SER A 75 1.836 6.717 10.428 1.00 0.00 C ATOM 1157 C SER A 75 1.108 6.281 11.695 1.00 0.00 C ATOM 1158 O SER A 75 0.087 6.853 12.085 1.00 0.00 O ATOM 1159 CB SER A 75 2.815 7.883 10.607 1.00 0.00 C ATOM 1160 OG SER A 75 2.138 9.111 10.796 1.00 0.00 O ATOM 0 H SER A 75 0.893 8.115 9.243 1.00 0.00 H new ATOM 0 HA SER A 75 2.435 5.864 10.110 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.461 7.688 11.463 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.460 7.954 9.731 1.00 0.00 H new ATOM 0 HG SER A 75 2.793 9.832 10.908 1.00 0.00 H new ATOM 1166 N ASN A 76 1.561 5.173 12.276 1.00 0.00 N ATOM 1167 CA ASN A 76 0.692 4.341 13.121 1.00 0.00 C ATOM 1168 C ASN A 76 1.323 3.712 14.368 1.00 0.00 C ATOM 1169 O ASN A 76 0.581 3.068 15.110 1.00 0.00 O ATOM 1170 CB ASN A 76 0.107 3.220 12.255 1.00 0.00 C ATOM 1171 CG ASN A 76 -1.138 2.591 12.878 1.00 0.00 C ATOM 1172 OD1 ASN A 76 -1.952 3.270 13.496 1.00 0.00 O ATOM 1173 ND2 ASN A 76 -1.371 1.311 12.652 1.00 0.00 N ATOM 0 H ASN A 76 2.516 4.828 12.182 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.054 5.033 13.513 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.144 3.618 11.272 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.863 2.449 12.104 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.232 0.882 12.992 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.690 0.752 12.138 1.00 0.00 H new ATOM 1180 N LYS A 77 2.644 3.833 14.581 1.00 0.00 N ATOM 1181 CA LYS A 77 3.486 3.421 15.708 1.00 0.00 C ATOM 1182 C LYS A 77 4.589 2.467 15.262 1.00 0.00 C ATOM 1183 O LYS A 77 5.700 2.566 15.779 1.00 0.00 O ATOM 1184 CB LYS A 77 2.695 2.834 16.890 1.00 0.00 C ATOM 1185 CG LYS A 77 3.627 2.517 18.049 1.00 0.00 C ATOM 1186 CD LYS A 77 2.831 2.306 19.337 1.00 0.00 C ATOM 1187 CE LYS A 77 3.563 1.497 20.415 1.00 0.00 C ATOM 1188 NZ LYS A 77 2.738 1.409 21.641 1.00 0.00 N ATOM 0 H LYS A 77 3.219 4.283 13.868 1.00 0.00 H new ATOM 0 HA LYS A 77 3.947 4.337 16.078 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.932 3.543 17.212 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.176 1.929 16.574 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.207 1.622 17.822 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.338 3.332 18.184 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.567 3.280 19.749 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.897 1.799 19.093 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.781 0.496 20.043 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.519 1.967 20.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.246 0.858 22.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.551 2.366 22.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.836 0.941 21.420 1.00 0.00 H new ATOM 1202 N ARG A 78 4.304 1.528 14.356 1.00 0.00 N ATOM 1203 CA ARG A 78 5.295 0.542 13.937 1.00 0.00 C ATOM 1204 C ARG A 78 6.457 1.234 13.235 1.00 0.00 C ATOM 1205 O ARG A 78 6.219 2.027 12.318 1.00 0.00 O ATOM 1206 CB ARG A 78 4.666 -0.529 13.021 1.00 0.00 C ATOM 1207 CG ARG A 78 4.533 -1.869 13.759 1.00 0.00 C ATOM 1208 CD ARG A 78 5.892 -2.567 13.953 1.00 0.00 C ATOM 1209 NE ARG A 78 6.014 -3.210 15.276 1.00 0.00 N ATOM 1210 CZ ARG A 78 5.980 -4.524 15.535 1.00 0.00 C ATOM 1211 NH1 ARG A 78 5.521 -5.403 14.652 1.00 0.00 N ATOM 1212 NH2 ARG A 78 6.411 -4.967 16.705 1.00 0.00 N ATOM 0 H ARG A 78 3.396 1.432 13.901 1.00 0.00 H new ATOM 0 HA ARG A 78 5.671 0.037 14.827 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.684 -0.195 12.685 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.281 -0.659 12.130 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.071 -1.701 14.732 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.867 -2.525 13.199 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.026 -3.318 13.174 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.692 -1.837 13.832 1.00 0.00 H new ATOM 0 HE ARG A 78 6.137 -2.589 16.076 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.181 -5.084 13.745 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.509 -6.397 14.881 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.765 -4.310 17.400 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.389 -5.966 16.912 1.00 0.00 H new ATOM 1226 N LYS A 79 7.678 0.848 13.623 1.00 0.00 N ATOM 1227 CA LYS A 79 8.900 1.031 12.839 1.00 0.00 C ATOM 1228 C LYS A 79 8.774 0.295 11.500 1.00 0.00 C ATOM 1229 O LYS A 79 7.860 -0.517 11.337 1.00 0.00 O ATOM 1230 CB LYS A 79 10.084 0.461 13.648 1.00 0.00 C ATOM 1231 CG LYS A 79 11.349 1.313 13.596 1.00 0.00 C ATOM 1232 CD LYS A 79 11.293 2.498 14.569 1.00 0.00 C ATOM 1233 CE LYS A 79 12.606 3.283 14.603 1.00 0.00 C ATOM 1234 NZ LYS A 79 13.770 2.469 15.004 1.00 0.00 N ATOM 0 H LYS A 79 7.845 0.387 14.517 1.00 0.00 H new ATOM 0 HA LYS A 79 9.063 2.090 12.636 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.778 0.349 14.688 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.316 -0.537 13.275 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.213 0.692 13.833 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.492 1.685 12.582 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.481 3.165 14.280 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.064 2.133 15.570 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.792 3.707 13.616 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.502 4.119 15.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.578 3.093 15.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.535 1.924 15.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.019 1.816 14.234 1.00 0.00 H new ATOM 1248 N GLY A 80 9.678 0.556 10.551 1.00 0.00 N ATOM 1249 CA GLY A 80 9.635 0.075 9.169 1.00 0.00 C ATOM 1250 C GLY A 80 8.515 0.736 8.378 1.00 0.00 C ATOM 1251 O GLY A 80 8.784 1.393 7.379 1.00 0.00 O ATOM 0 H GLY A 80 10.497 1.135 10.735 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.590 0.275 8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.495 -1.006 9.164 1.00 0.00 H new ATOM 1255 N PHE A 81 7.285 0.659 8.875 1.00 0.00 N ATOM 1256 CA PHE A 81 6.069 1.162 8.262 1.00 0.00 C ATOM 1257 C PHE A 81 6.206 2.586 7.720 1.00 0.00 C ATOM 1258 O PHE A 81 5.715 2.860 6.636 1.00 0.00 O ATOM 1259 CB PHE A 81 4.962 1.105 9.320 1.00 0.00 C ATOM 1260 CG PHE A 81 3.561 1.244 8.769 1.00 0.00 C ATOM 1261 CD1 PHE A 81 2.979 2.513 8.585 1.00 0.00 C ATOM 1262 CD2 PHE A 81 2.841 0.087 8.421 1.00 0.00 C ATOM 1263 CE1 PHE A 81 1.714 2.614 7.988 1.00 0.00 C ATOM 1264 CE2 PHE A 81 1.567 0.197 7.847 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.028 1.465 7.583 1.00 0.00 C ATOM 0 H PHE A 81 7.103 0.214 9.775 1.00 0.00 H new ATOM 0 HA PHE A 81 5.836 0.539 7.398 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.036 0.158 9.855 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.132 1.897 10.049 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.503 3.403 8.902 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.271 -0.888 8.596 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.267 3.586 7.840 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.002 -0.692 7.609 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.083 1.554 7.067 1.00 0.00 H new ATOM 1275 N ASN A 82 6.831 3.495 8.472 1.00 0.00 N ATOM 1276 CA ASN A 82 6.934 4.911 8.110 1.00 0.00 C ATOM 1277 C ASN A 82 7.833 5.125 6.892 1.00 0.00 C ATOM 1278 O ASN A 82 7.443 5.797 5.947 1.00 0.00 O ATOM 1279 CB ASN A 82 7.440 5.704 9.317 1.00 0.00 C ATOM 1280 CG ASN A 82 6.278 6.152 10.179 1.00 0.00 C ATOM 1281 OD1 ASN A 82 5.600 7.115 9.872 1.00 0.00 O ATOM 1282 ND2 ASN A 82 6.004 5.509 11.296 1.00 0.00 N ATOM 0 H ASN A 82 7.284 3.267 9.357 1.00 0.00 H new ATOM 0 HA ASN A 82 5.944 5.271 7.831 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.121 5.089 9.905 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.006 6.572 8.979 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.234 5.820 11.888 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.562 4.700 11.569 1.00 0.00 H new ATOM 1289 N GLU A 83 9.012 4.509 6.888 1.00 0.00 N ATOM 1290 CA GLU A 83 9.902 4.410 5.733 1.00 0.00 C ATOM 1291 C GLU A 83 9.135 3.841 4.526 1.00 0.00 C ATOM 1292 O GLU A 83 9.301 4.338 3.415 1.00 0.00 O ATOM 1293 CB GLU A 83 11.122 3.547 6.134 1.00 0.00 C ATOM 1294 CG GLU A 83 12.172 4.384 6.892 1.00 0.00 C ATOM 1295 CD GLU A 83 12.987 3.529 7.862 1.00 0.00 C ATOM 1296 OE1 GLU A 83 12.442 3.137 8.920 1.00 0.00 O ATOM 1297 OE2 GLU A 83 14.177 3.226 7.620 1.00 0.00 O ATOM 0 H GLU A 83 9.388 4.049 7.717 1.00 0.00 H new ATOM 0 HA GLU A 83 10.266 5.392 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.794 2.717 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.574 3.114 5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.842 4.861 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.673 5.182 7.442 1.00 0.00 H new ATOM 1304 N GLY A 84 8.247 2.863 4.740 1.00 0.00 N ATOM 1305 CA GLY A 84 7.422 2.311 3.675 1.00 0.00 C ATOM 1306 C GLY A 84 6.300 3.251 3.220 1.00 0.00 C ATOM 1307 O GLY A 84 5.891 3.182 2.062 1.00 0.00 O ATOM 0 H GLY A 84 8.085 2.438 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.056 2.075 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.983 1.373 4.015 1.00 0.00 H new ATOM 1311 N LEU A 85 5.791 4.123 4.098 1.00 0.00 N ATOM 1312 CA LEU A 85 4.812 5.152 3.742 1.00 0.00 C ATOM 1313 C LEU A 85 5.462 6.184 2.831 1.00 0.00 C ATOM 1314 O LEU A 85 4.889 6.541 1.804 1.00 0.00 O ATOM 1315 CB LEU A 85 4.245 5.891 4.965 1.00 0.00 C ATOM 1316 CG LEU A 85 3.225 5.117 5.809 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.886 5.985 7.026 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.956 4.792 5.016 1.00 0.00 C ATOM 0 H LEU A 85 6.051 4.133 5.084 1.00 0.00 H new ATOM 0 HA LEU A 85 3.990 4.637 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.077 6.177 5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.777 6.813 4.622 1.00 0.00 H new ATOM 0 HG LEU A 85 3.653 4.162 6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.161 5.466 7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.792 6.175 7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.464 6.932 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.260 4.244 5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.489 5.718 4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.214 4.183 4.150 1.00 0.00 H new ATOM 1330 N TRP A 86 6.653 6.650 3.212 1.00 0.00 N ATOM 1331 CA TRP A 86 7.431 7.577 2.414 1.00 0.00 C ATOM 1332 C TRP A 86 7.616 7.010 1.007 1.00 0.00 C ATOM 1333 O TRP A 86 7.394 7.733 0.037 1.00 0.00 O ATOM 1334 CB TRP A 86 8.740 7.916 3.139 1.00 0.00 C ATOM 1335 CG TRP A 86 9.583 8.921 2.425 1.00 0.00 C ATOM 1336 CD1 TRP A 86 9.676 10.246 2.681 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.433 8.679 1.276 1.00 0.00 C ATOM 1338 NE1 TRP A 86 10.508 10.829 1.743 1.00 0.00 N ATOM 1339 CE2 TRP A 86 10.969 9.912 0.823 1.00 0.00 C ATOM 1340 CE3 TRP A 86 10.775 7.520 0.561 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 11.755 9.993 -0.335 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.564 7.585 -0.601 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.035 8.826 -1.065 1.00 0.00 C ATOM 0 H TRP A 86 7.101 6.388 4.090 1.00 0.00 H new ATOM 0 HA TRP A 86 6.906 8.524 2.291 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.506 8.294 4.134 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.317 7.001 3.273 1.00 0.00 H new ATOM 0 HD1 TRP A 86 9.180 10.765 3.488 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.752 11.819 1.733 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.425 6.560 0.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 12.143 10.946 -0.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 11.809 6.680 -1.138 1.00 0.00 H new ATOM 0 HH2 TRP A 86 12.609 8.882 -1.978 1.00 0.00 H new ATOM 1354 N GLU A 87 7.964 5.725 0.889 1.00 0.00 N ATOM 1355 CA GLU A 87 8.153 5.072 -0.402 1.00 0.00 C ATOM 1356 C GLU A 87 6.854 5.022 -1.194 1.00 0.00 C ATOM 1357 O GLU A 87 6.856 5.436 -2.352 1.00 0.00 O ATOM 1358 CB GLU A 87 8.730 3.662 -0.218 1.00 0.00 C ATOM 1359 CG GLU A 87 10.247 3.663 -0.416 1.00 0.00 C ATOM 1360 CD GLU A 87 10.645 3.652 -1.898 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.687 4.706 -2.578 1.00 0.00 O ATOM 1362 OE2 GLU A 87 11.066 2.590 -2.397 1.00 0.00 O ATOM 0 H GLU A 87 8.122 5.111 1.688 1.00 0.00 H new ATOM 0 HA GLU A 87 8.868 5.666 -0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.490 3.294 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.267 2.979 -0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.673 4.544 0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.676 2.791 0.079 1.00 0.00 H new ATOM 1369 N ILE A 88 5.751 4.521 -0.621 1.00 0.00 N ATOM 1370 CA ILE A 88 4.534 4.339 -1.412 1.00 0.00 C ATOM 1371 C ILE A 88 3.961 5.688 -1.870 1.00 0.00 C ATOM 1372 O ILE A 88 3.362 5.762 -2.939 1.00 0.00 O ATOM 1373 CB ILE A 88 3.517 3.438 -0.678 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.511 2.857 -1.688 1.00 0.00 C ATOM 1375 CG2 ILE A 88 2.810 4.171 0.472 1.00 0.00 C ATOM 1376 CD1 ILE A 88 1.700 1.689 -1.122 1.00 0.00 C ATOM 0 H ILE A 88 5.678 4.243 0.358 1.00 0.00 H new ATOM 0 HA ILE A 88 4.789 3.804 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 88 4.065 2.616 -0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.829 3.645 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.048 2.522 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.105 3.495 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.550 4.506 1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.273 5.034 0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.009 1.324 -1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.375 0.885 -0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.137 2.025 -0.251 1.00 0.00 H new ATOM 1388 N GLU A 89 4.155 6.759 -1.097 1.00 0.00 N ATOM 1389 CA GLU A 89 3.752 8.107 -1.489 1.00 0.00 C ATOM 1390 C GLU A 89 4.631 8.661 -2.613 1.00 0.00 C ATOM 1391 O GLU A 89 4.148 9.416 -3.458 1.00 0.00 O ATOM 1392 CB GLU A 89 3.766 9.017 -0.253 1.00 0.00 C ATOM 1393 CG GLU A 89 2.488 8.780 0.571 1.00 0.00 C ATOM 1394 CD GLU A 89 2.286 9.751 1.735 1.00 0.00 C ATOM 1395 OE1 GLU A 89 2.556 10.962 1.582 1.00 0.00 O ATOM 1396 OE2 GLU A 89 1.678 9.348 2.751 1.00 0.00 O ATOM 0 H GLU A 89 4.598 6.713 -0.179 1.00 0.00 H new ATOM 0 HA GLU A 89 2.739 8.069 -1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.647 8.810 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.827 10.062 -0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.627 8.847 -0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.509 7.763 0.964 1.00 0.00 H new ATOM 1403 N ASN A 90 5.906 8.271 -2.653 1.00 0.00 N ATOM 1404 CA ASN A 90 6.867 8.747 -3.645 1.00 0.00 C ATOM 1405 C ASN A 90 7.044 7.773 -4.802 1.00 0.00 C ATOM 1406 O ASN A 90 7.865 8.028 -5.683 1.00 0.00 O ATOM 1407 CB ASN A 90 8.202 9.078 -2.972 1.00 0.00 C ATOM 1408 CG ASN A 90 8.084 10.377 -2.204 1.00 0.00 C ATOM 1409 OD1 ASN A 90 7.752 11.412 -2.778 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.301 10.363 -0.903 1.00 0.00 N ATOM 0 H ASN A 90 6.304 7.607 -1.988 1.00 0.00 H new ATOM 0 HA ASN A 90 6.464 9.661 -4.082 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.489 8.271 -2.297 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.987 9.160 -3.723 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.194 11.219 -0.359 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.576 9.496 -0.441 1.00 0.00 H new