USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 THR N :NH3+ 180:sc= -0.347 (180deg=-0.347) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= -0.0144 (180deg=-0.0144) USER MOD Single : A 11 GLN : amide:sc= 0.553 K(o=0.55,f=-5.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 20:sc= -1.81! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.77 K(o=-0.77,f=-2.1!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -82:sc= 0.957 USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 1.12 (180deg=1.09) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00708 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 13.789 16.944 -5.432 1.00 0.00 N ATOM 2 CA THR A 1 12.531 17.692 -5.173 1.00 0.00 C ATOM 3 C THR A 1 11.875 18.141 -6.476 1.00 0.00 C ATOM 4 O THR A 1 10.655 18.284 -6.551 1.00 0.00 O ATOM 5 CB THR A 1 12.856 18.906 -4.298 1.00 0.00 C ATOM 6 OG1 THR A 1 11.669 19.558 -3.894 1.00 0.00 O ATOM 7 CG2 THR A 1 13.731 19.928 -4.991 1.00 0.00 C ATOM 0 H1 THR A 1 14.212 16.652 -4.528 1.00 0.00 H new ATOM 0 H2 THR A 1 13.580 16.101 -6.005 1.00 0.00 H new ATOM 0 H3 THR A 1 14.457 17.555 -5.945 1.00 0.00 H new ATOM 0 HA THR A 1 11.826 17.037 -4.661 1.00 0.00 H new ATOM 0 HB THR A 1 13.402 18.510 -3.442 1.00 0.00 H new ATOM 0 HG1 THR A 1 11.894 20.330 -3.334 1.00 0.00 H new ATOM 0 HG21 THR A 1 13.922 20.761 -4.315 1.00 0.00 H new ATOM 0 HG22 THR A 1 14.677 19.465 -5.274 1.00 0.00 H new ATOM 0 HG23 THR A 1 13.225 20.294 -5.884 1.00 0.00 H new ATOM 17 N THR A 2 12.694 18.360 -7.500 1.00 0.00 N ATOM 18 CA THR A 2 12.196 18.793 -8.801 1.00 0.00 C ATOM 19 C THR A 2 11.545 20.168 -8.703 1.00 0.00 C ATOM 20 O THR A 2 10.718 20.415 -7.825 1.00 0.00 O ATOM 21 CB THR A 2 11.192 17.778 -9.351 1.00 0.00 C ATOM 22 OG1 THR A 2 11.622 16.454 -9.088 1.00 0.00 O ATOM 23 CG2 THR A 2 10.972 17.901 -10.843 1.00 0.00 C ATOM 0 H THR A 2 13.706 18.245 -7.454 1.00 0.00 H new ATOM 0 HA THR A 2 13.044 18.860 -9.483 1.00 0.00 H new ATOM 0 HB THR A 2 10.253 17.997 -8.843 1.00 0.00 H new ATOM 0 HG1 THR A 2 10.966 15.820 -9.446 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.249 17.152 -11.167 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.592 18.896 -11.074 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.916 17.743 -11.364 1.00 0.00 H new ATOM 31 N TYR A 3 11.924 21.063 -9.610 1.00 0.00 N ATOM 32 CA TYR A 3 11.377 22.414 -9.626 1.00 0.00 C ATOM 33 C TYR A 3 9.866 22.390 -9.839 1.00 0.00 C ATOM 34 O TYR A 3 9.153 23.286 -9.391 1.00 0.00 O ATOM 35 CB TYR A 3 12.050 23.247 -10.720 1.00 0.00 C ATOM 36 CG TYR A 3 12.604 24.559 -10.226 1.00 0.00 C ATOM 37 CD1 TYR A 3 11.850 25.384 -9.402 1.00 0.00 C ATOM 38 CD2 TYR A 3 13.881 24.978 -10.578 1.00 0.00 C ATOM 39 CE1 TYR A 3 12.351 26.587 -8.945 1.00 0.00 C ATOM 40 CE2 TYR A 3 14.390 26.175 -10.129 1.00 0.00 C ATOM 41 CZ TYR A 3 13.623 26.978 -9.310 1.00 0.00 C ATOM 42 OH TYR A 3 14.126 28.180 -8.852 1.00 0.00 O ATOM 0 H TYR A 3 12.608 20.876 -10.343 1.00 0.00 H new ATOM 0 HA TYR A 3 11.578 22.872 -8.657 1.00 0.00 H new ATOM 0 HB2 TYR A 3 12.858 22.665 -11.163 1.00 0.00 H new ATOM 0 HB3 TYR A 3 11.327 23.443 -11.512 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.855 25.080 -9.114 1.00 0.00 H new ATOM 0 HD2 TYR A 3 14.486 24.352 -11.217 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.751 27.218 -8.306 1.00 0.00 H new ATOM 0 HE2 TYR A 3 15.384 26.484 -10.416 1.00 0.00 H new ATOM 0 HH TYR A 3 15.034 28.308 -9.198 1.00 0.00 H new ATOM 52 N LYS A 4 9.386 21.361 -10.531 1.00 0.00 N ATOM 53 CA LYS A 4 7.962 21.219 -10.808 1.00 0.00 C ATOM 54 C LYS A 4 7.214 20.675 -9.596 1.00 0.00 C ATOM 55 O LYS A 4 7.532 19.596 -9.093 1.00 0.00 O ATOM 56 CB LYS A 4 7.748 20.287 -12.001 1.00 0.00 C ATOM 57 CG LYS A 4 7.727 21.007 -13.336 1.00 0.00 C ATOM 58 CD LYS A 4 8.171 20.095 -14.469 1.00 0.00 C ATOM 59 CE LYS A 4 9.612 20.366 -14.876 1.00 0.00 C ATOM 60 NZ LYS A 4 10.470 19.160 -14.715 1.00 0.00 N ATOM 0 H LYS A 4 9.965 20.612 -10.911 1.00 0.00 H new ATOM 0 HA LYS A 4 7.568 22.208 -11.041 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.540 19.538 -12.014 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.807 19.753 -11.870 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.721 21.374 -13.537 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.381 21.878 -13.291 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.069 19.055 -14.160 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.517 20.238 -15.329 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.640 20.696 -15.915 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.013 21.180 -14.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.444 19.386 -15.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.464 18.860 -13.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.103 18.391 -15.311 1.00 0.00 H new ATOM 74 N LEU A 5 6.214 21.420 -9.135 1.00 0.00 N ATOM 75 CA LEU A 5 5.415 21.008 -7.989 1.00 0.00 C ATOM 76 C LEU A 5 4.339 20.008 -8.412 1.00 0.00 C ATOM 77 O LEU A 5 3.169 20.152 -8.055 1.00 0.00 O ATOM 78 CB LEU A 5 4.762 22.226 -7.351 1.00 0.00 C ATOM 79 CG LEU A 5 5.719 23.298 -6.789 1.00 0.00 C ATOM 80 CD1 LEU A 5 5.492 23.473 -5.303 1.00 0.00 C ATOM 81 CD2 LEU A 5 7.180 22.943 -7.057 1.00 0.00 C ATOM 0 H LEU A 5 5.938 22.315 -9.540 1.00 0.00 H new ATOM 0 HA LEU A 5 6.072 20.526 -7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.118 22.697 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.118 21.884 -6.541 1.00 0.00 H new ATOM 0 HG LEU A 5 5.503 24.236 -7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.173 24.232 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.463 23.786 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.676 22.528 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.824 23.721 -6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.416 21.990 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.344 22.865 -8.132 1.00 0.00 H new ATOM 93 N ILE A 6 4.740 18.998 -9.179 1.00 0.00 N ATOM 94 CA ILE A 6 3.816 17.984 -9.656 1.00 0.00 C ATOM 95 C ILE A 6 3.831 16.756 -8.747 1.00 0.00 C ATOM 96 O ILE A 6 3.799 15.619 -9.220 1.00 0.00 O ATOM 97 CB ILE A 6 4.162 17.569 -11.101 1.00 0.00 C ATOM 98 CG1 ILE A 6 2.993 16.821 -11.731 1.00 0.00 C ATOM 99 CG2 ILE A 6 5.426 16.719 -11.135 1.00 0.00 C ATOM 100 CD1 ILE A 6 1.753 17.673 -11.896 1.00 0.00 C ATOM 0 H ILE A 6 5.704 18.863 -9.482 1.00 0.00 H new ATOM 0 HA ILE A 6 2.815 18.415 -9.641 1.00 0.00 H new ATOM 0 HB ILE A 6 4.349 18.472 -11.681 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.297 16.442 -12.707 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.751 15.955 -11.115 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.649 16.439 -12.165 1.00 0.00 H new ATOM 0 HG22 ILE A 6 6.259 17.290 -10.726 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.275 15.819 -10.539 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.961 17.078 -12.350 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.425 18.030 -10.920 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.980 18.525 -12.537 1.00 0.00 H new ATOM 112 N LEU A 7 3.881 16.993 -7.440 1.00 0.00 N ATOM 113 CA LEU A 7 3.901 15.907 -6.468 1.00 0.00 C ATOM 114 C LEU A 7 2.538 15.742 -5.805 1.00 0.00 C ATOM 115 O LEU A 7 2.178 16.503 -4.907 1.00 0.00 O ATOM 116 CB LEU A 7 4.971 16.165 -5.405 1.00 0.00 C ATOM 117 CG LEU A 7 6.342 16.570 -5.952 1.00 0.00 C ATOM 118 CD1 LEU A 7 6.519 18.079 -5.888 1.00 0.00 C ATOM 119 CD2 LEU A 7 7.453 15.868 -5.183 1.00 0.00 C ATOM 0 H LEU A 7 3.908 17.927 -7.030 1.00 0.00 H new ATOM 0 HA LEU A 7 4.140 14.985 -6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.617 16.950 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.088 15.264 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 7 6.399 16.262 -6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.500 18.347 -6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.745 18.562 -6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.440 18.411 -4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.420 16.168 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.397 16.144 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.338 14.789 -5.282 1.00 0.00 H new ATOM 131 N ASN A 8 1.785 14.743 -6.252 1.00 0.00 N ATOM 132 CA ASN A 8 0.461 14.476 -5.700 1.00 0.00 C ATOM 133 C ASN A 8 0.373 13.050 -5.171 1.00 0.00 C ATOM 134 O ASN A 8 0.749 12.098 -5.852 1.00 0.00 O ATOM 135 CB ASN A 8 -0.617 14.708 -6.761 1.00 0.00 C ATOM 136 CG ASN A 8 -0.400 15.993 -7.536 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.331 17.077 -6.956 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.291 15.878 -8.855 1.00 0.00 N ATOM 0 H ASN A 8 2.068 14.104 -6.995 1.00 0.00 H new ATOM 0 HA ASN A 8 0.295 15.164 -4.871 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.628 13.867 -7.454 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.595 14.738 -6.281 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.144 16.708 -9.429 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.354 14.959 -9.294 1.00 0.00 H new ATOM 145 N LEU A 9 -0.126 12.913 -3.948 1.00 0.00 N ATOM 146 CA LEU A 9 -0.266 11.607 -3.311 1.00 0.00 C ATOM 147 C LEU A 9 -0.996 10.616 -4.216 1.00 0.00 C ATOM 148 O LEU A 9 -0.747 9.413 -4.156 1.00 0.00 O ATOM 149 CB LEU A 9 -1.001 11.747 -1.978 1.00 0.00 C ATOM 150 CG LEU A 9 -2.345 12.473 -2.049 1.00 0.00 C ATOM 151 CD1 LEU A 9 -3.330 11.849 -1.077 1.00 0.00 C ATOM 152 CD2 LEU A 9 -2.170 13.958 -1.757 1.00 0.00 C ATOM 0 H LEU A 9 -0.442 13.695 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 9 0.735 11.215 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.165 10.751 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.355 12.279 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.742 12.371 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.283 12.375 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.478 10.800 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.938 11.924 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.138 14.456 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.753 14.086 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.494 14.396 -2.491 1.00 0.00 H new ATOM 164 N LYS A 10 -1.903 11.131 -5.046 1.00 0.00 N ATOM 165 CA LYS A 10 -2.683 10.304 -5.965 1.00 0.00 C ATOM 166 C LYS A 10 -1.831 9.196 -6.589 1.00 0.00 C ATOM 167 O LYS A 10 -2.202 8.025 -6.545 1.00 0.00 O ATOM 168 CB LYS A 10 -3.327 11.198 -7.044 1.00 0.00 C ATOM 169 CG LYS A 10 -2.881 10.933 -8.480 1.00 0.00 C ATOM 170 CD LYS A 10 -1.729 11.840 -8.878 1.00 0.00 C ATOM 171 CE LYS A 10 -0.824 11.176 -9.901 1.00 0.00 C ATOM 172 NZ LYS A 10 0.373 12.008 -10.206 1.00 0.00 N ATOM 0 H LYS A 10 -2.117 12.127 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.474 9.808 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.409 11.076 -6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.111 12.239 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.578 9.891 -8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.720 11.089 -9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.122 12.770 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.149 12.102 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.504 10.204 -9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.384 10.996 -10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.965 11.520 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.069 12.927 -10.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.922 12.159 -9.336 1.00 0.00 H new ATOM 186 N GLN A 11 -0.689 9.564 -7.161 1.00 0.00 N ATOM 187 CA GLN A 11 0.199 8.581 -7.781 1.00 0.00 C ATOM 188 C GLN A 11 0.429 7.401 -6.840 1.00 0.00 C ATOM 189 O GLN A 11 0.509 6.249 -7.270 1.00 0.00 O ATOM 190 CB GLN A 11 1.537 9.220 -8.162 1.00 0.00 C ATOM 191 CG GLN A 11 2.125 10.109 -7.078 1.00 0.00 C ATOM 192 CD GLN A 11 3.586 9.810 -6.807 1.00 0.00 C ATOM 193 OE1 GLN A 11 3.915 8.926 -6.016 1.00 0.00 O ATOM 194 NE2 GLN A 11 4.473 10.549 -7.464 1.00 0.00 N ATOM 0 H GLN A 11 -0.357 10.527 -7.209 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.280 8.217 -8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.251 8.431 -8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.402 9.810 -9.069 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.020 11.153 -7.373 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.555 9.979 -6.158 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.156 11.271 -8.111 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.471 10.394 -7.322 1.00 0.00 H new ATOM 203 N ALA A 12 0.512 7.701 -5.548 1.00 0.00 N ATOM 204 CA ALA A 12 0.710 6.675 -4.535 1.00 0.00 C ATOM 205 C ALA A 12 -0.603 5.963 -4.235 1.00 0.00 C ATOM 206 O ALA A 12 -0.619 4.781 -3.894 1.00 0.00 O ATOM 207 CB ALA A 12 1.281 7.291 -3.268 1.00 0.00 C ATOM 0 H ALA A 12 0.445 8.649 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 12 1.420 5.941 -4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.424 6.513 -2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.239 7.761 -3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.590 8.041 -2.885 1.00 0.00 H new ATOM 213 N LYS A 13 -1.707 6.686 -4.380 1.00 0.00 N ATOM 214 CA LYS A 13 -3.023 6.120 -4.142 1.00 0.00 C ATOM 215 C LYS A 13 -3.249 4.943 -5.090 1.00 0.00 C ATOM 216 O LYS A 13 -3.840 3.928 -4.717 1.00 0.00 O ATOM 217 CB LYS A 13 -4.102 7.206 -4.302 1.00 0.00 C ATOM 218 CG LYS A 13 -5.309 6.784 -5.128 1.00 0.00 C ATOM 219 CD LYS A 13 -5.004 6.829 -6.616 1.00 0.00 C ATOM 220 CE LYS A 13 -5.764 7.949 -7.313 1.00 0.00 C ATOM 221 NZ LYS A 13 -6.794 7.421 -8.249 1.00 0.00 N ATOM 0 H LYS A 13 -1.714 7.666 -4.662 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.089 5.746 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.444 7.509 -3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.650 8.083 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.610 5.775 -4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.151 7.440 -4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.933 6.969 -6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.266 5.874 -7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.243 8.583 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.062 8.577 -7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.289 8.214 -8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.335 6.837 -8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.478 6.842 -7.721 1.00 0.00 H new ATOM 235 N GLU A 14 -2.747 5.087 -6.313 1.00 0.00 N ATOM 236 CA GLU A 14 -2.864 4.039 -7.317 1.00 0.00 C ATOM 237 C GLU A 14 -1.848 2.940 -7.035 1.00 0.00 C ATOM 238 O GLU A 14 -2.095 1.764 -7.301 1.00 0.00 O ATOM 239 CB GLU A 14 -2.650 4.612 -8.720 1.00 0.00 C ATOM 240 CG GLU A 14 -2.737 3.570 -9.824 1.00 0.00 C ATOM 241 CD GLU A 14 -4.167 3.216 -10.179 1.00 0.00 C ATOM 242 OE1 GLU A 14 -4.874 4.084 -10.732 1.00 0.00 O ATOM 243 OE2 GLU A 14 -4.581 2.070 -9.903 1.00 0.00 O ATOM 0 H GLU A 14 -2.255 5.922 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.868 3.617 -7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.394 5.387 -8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.672 5.092 -8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.228 3.944 -10.712 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.211 2.669 -9.510 1.00 0.00 H new ATOM 250 N GLU A 15 -0.705 3.336 -6.473 1.00 0.00 N ATOM 251 CA GLU A 15 0.350 2.391 -6.129 1.00 0.00 C ATOM 252 C GLU A 15 -0.217 1.253 -5.285 1.00 0.00 C ATOM 253 O GLU A 15 0.015 0.076 -5.567 1.00 0.00 O ATOM 254 CB GLU A 15 1.459 3.109 -5.360 1.00 0.00 C ATOM 255 CG GLU A 15 2.651 3.483 -6.221 1.00 0.00 C ATOM 256 CD GLU A 15 3.277 2.283 -6.904 1.00 0.00 C ATOM 257 OE1 GLU A 15 3.860 1.434 -6.196 1.00 0.00 O ATOM 258 OE2 GLU A 15 3.185 2.192 -8.146 1.00 0.00 O ATOM 0 H GLU A 15 -0.489 4.307 -6.247 1.00 0.00 H new ATOM 0 HA GLU A 15 0.764 1.974 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.050 4.013 -4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.797 2.470 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.337 4.203 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.401 3.976 -5.602 1.00 0.00 H new ATOM 265 N ALA A 16 -0.970 1.620 -4.253 1.00 0.00 N ATOM 266 CA ALA A 16 -1.584 0.642 -3.366 1.00 0.00 C ATOM 267 C ALA A 16 -2.724 -0.083 -4.068 1.00 0.00 C ATOM 268 O ALA A 16 -2.845 -1.302 -3.972 1.00 0.00 O ATOM 269 CB ALA A 16 -2.085 1.318 -2.101 1.00 0.00 C ATOM 0 H ALA A 16 -1.169 2.591 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.828 -0.095 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.542 0.575 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.249 1.790 -1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.825 2.075 -2.362 1.00 0.00 H new ATOM 275 N ILE A 17 -3.559 0.674 -4.776 1.00 0.00 N ATOM 276 CA ILE A 17 -4.690 0.094 -5.497 1.00 0.00 C ATOM 277 C ILE A 17 -4.223 -1.042 -6.407 1.00 0.00 C ATOM 278 O ILE A 17 -4.847 -2.102 -6.460 1.00 0.00 O ATOM 279 CB ILE A 17 -5.435 1.173 -6.325 1.00 0.00 C ATOM 280 CG1 ILE A 17 -6.515 1.838 -5.470 1.00 0.00 C ATOM 281 CG2 ILE A 17 -6.050 0.591 -7.598 1.00 0.00 C ATOM 282 CD1 ILE A 17 -7.657 0.914 -5.108 1.00 0.00 C ATOM 0 H ILE A 17 -3.475 1.687 -4.866 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.384 -0.311 -4.760 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.703 1.921 -6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.060 2.215 -4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.912 2.699 -6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.562 1.380 -8.148 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.263 0.166 -8.221 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.764 -0.189 -7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.384 1.454 -4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.138 0.556 -6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.273 0.065 -4.543 1.00 0.00 H new ATOM 294 N LYS A 18 -3.122 -0.817 -7.116 1.00 0.00 N ATOM 295 CA LYS A 18 -2.576 -1.827 -8.015 1.00 0.00 C ATOM 296 C LYS A 18 -2.107 -3.051 -7.233 1.00 0.00 C ATOM 297 O LYS A 18 -2.441 -4.185 -7.576 1.00 0.00 O ATOM 298 CB LYS A 18 -1.415 -1.243 -8.825 1.00 0.00 C ATOM 299 CG LYS A 18 -1.724 -1.088 -10.306 1.00 0.00 C ATOM 300 CD LYS A 18 -0.578 -1.590 -11.172 1.00 0.00 C ATOM 301 CE LYS A 18 -0.615 -3.102 -11.325 1.00 0.00 C ATOM 302 NZ LYS A 18 -1.013 -3.511 -12.700 1.00 0.00 N ATOM 0 H LYS A 18 -2.591 0.054 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.365 -2.138 -8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.150 -0.269 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.543 -1.886 -8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.633 -1.639 -10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.918 -0.039 -10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.632 -1.123 -12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.372 -1.291 -10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.367 -3.514 -11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.316 -3.523 -10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.026 -4.549 -12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.961 -3.139 -12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.330 -3.131 -13.386 1.00 0.00 H new ATOM 316 N GLU A 19 -1.331 -2.812 -6.180 1.00 0.00 N ATOM 317 CA GLU A 19 -0.811 -3.888 -5.345 1.00 0.00 C ATOM 318 C GLU A 19 -1.936 -4.601 -4.603 1.00 0.00 C ATOM 319 O GLU A 19 -1.875 -5.810 -4.371 1.00 0.00 O ATOM 320 CB GLU A 19 0.190 -3.322 -4.338 1.00 0.00 C ATOM 321 CG GLU A 19 1.263 -2.454 -4.976 1.00 0.00 C ATOM 322 CD GLU A 19 2.479 -3.251 -5.404 1.00 0.00 C ATOM 323 OE1 GLU A 19 2.433 -3.868 -6.490 1.00 0.00 O ATOM 324 OE2 GLU A 19 3.478 -3.259 -4.655 1.00 0.00 O ATOM 0 H GLU A 19 -1.048 -1.878 -5.884 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.315 -4.611 -5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.347 -2.734 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.667 -4.147 -3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.844 -1.944 -5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.569 -1.683 -4.269 1.00 0.00 H new ATOM 331 N LEU A 20 -2.954 -3.841 -4.221 1.00 0.00 N ATOM 332 CA LEU A 20 -4.092 -4.386 -3.491 1.00 0.00 C ATOM 333 C LEU A 20 -4.913 -5.335 -4.361 1.00 0.00 C ATOM 334 O LEU A 20 -5.304 -6.415 -3.920 1.00 0.00 O ATOM 335 CB LEU A 20 -4.981 -3.245 -2.985 1.00 0.00 C ATOM 336 CG LEU A 20 -4.858 -2.935 -1.491 1.00 0.00 C ATOM 337 CD1 LEU A 20 -3.533 -2.270 -1.183 1.00 0.00 C ATOM 338 CD2 LEU A 20 -6.016 -2.064 -1.028 1.00 0.00 C ATOM 0 H LEU A 20 -3.015 -2.840 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.706 -4.954 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.742 -2.343 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.020 -3.491 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.897 -3.878 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.471 -2.060 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.717 -2.933 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.456 -1.337 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.911 -1.855 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.011 -1.127 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.957 -2.586 -1.204 1.00 0.00 H new ATOM 350 N VAL A 21 -5.180 -4.924 -5.592 1.00 0.00 N ATOM 351 CA VAL A 21 -5.963 -5.735 -6.515 1.00 0.00 C ATOM 352 C VAL A 21 -5.197 -6.980 -6.954 1.00 0.00 C ATOM 353 O VAL A 21 -5.792 -8.017 -7.248 1.00 0.00 O ATOM 354 CB VAL A 21 -6.368 -4.927 -7.763 1.00 0.00 C ATOM 355 CG1 VAL A 21 -7.355 -5.713 -8.611 1.00 0.00 C ATOM 356 CG2 VAL A 21 -6.953 -3.579 -7.365 1.00 0.00 C ATOM 0 H VAL A 21 -4.866 -4.033 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.861 -6.042 -5.978 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.474 -4.746 -8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.629 -5.126 -9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.896 -6.649 -8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.248 -5.928 -8.024 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.232 -3.025 -8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.836 -3.734 -6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.210 -3.011 -6.804 1.00 0.00 H new ATOM 366 N ASP A 22 -3.876 -6.863 -7.012 1.00 0.00 N ATOM 367 CA ASP A 22 -3.021 -7.968 -7.433 1.00 0.00 C ATOM 368 C ASP A 22 -2.900 -9.051 -6.359 1.00 0.00 C ATOM 369 O ASP A 22 -2.601 -10.203 -6.670 1.00 0.00 O ATOM 370 CB ASP A 22 -1.631 -7.446 -7.796 1.00 0.00 C ATOM 371 CG ASP A 22 -0.907 -8.356 -8.770 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.591 -9.065 -9.539 1.00 0.00 O ATOM 373 OD2 ASP A 22 0.342 -8.358 -8.766 1.00 0.00 O ATOM 0 H ASP A 22 -3.371 -6.010 -6.772 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.488 -8.422 -8.307 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.722 -6.451 -8.232 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.036 -7.343 -6.888 1.00 0.00 H new ATOM 378 N ALA A 23 -3.111 -8.682 -5.098 1.00 0.00 N ATOM 379 CA ALA A 23 -2.994 -9.649 -4.002 1.00 0.00 C ATOM 380 C ALA A 23 -4.081 -9.462 -2.946 1.00 0.00 C ATOM 381 O ALA A 23 -4.507 -8.341 -2.673 1.00 0.00 O ATOM 382 CB ALA A 23 -1.618 -9.544 -3.355 1.00 0.00 C ATOM 0 H ALA A 23 -3.360 -7.736 -4.809 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.124 -10.642 -4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.542 -10.266 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.849 -9.752 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.477 -8.538 -2.960 1.00 0.00 H new ATOM 388 N GLY A 24 -4.512 -10.571 -2.337 1.00 0.00 N ATOM 389 CA GLY A 24 -5.530 -10.503 -1.301 1.00 0.00 C ATOM 390 C GLY A 24 -5.213 -9.435 -0.276 1.00 0.00 C ATOM 391 O GLY A 24 -4.191 -9.504 0.406 1.00 0.00 O ATOM 0 H GLY A 24 -4.174 -11.511 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.499 -10.296 -1.755 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.611 -11.471 -0.806 1.00 0.00 H new ATOM 395 N THR A 25 -6.064 -8.421 -0.200 1.00 0.00 N ATOM 396 CA THR A 25 -5.846 -7.314 0.715 1.00 0.00 C ATOM 397 C THR A 25 -7.144 -6.832 1.367 1.00 0.00 C ATOM 398 O THR A 25 -8.118 -7.570 1.464 1.00 0.00 O ATOM 399 CB THR A 25 -5.236 -6.175 -0.082 1.00 0.00 C ATOM 400 OG1 THR A 25 -4.800 -5.138 0.776 1.00 0.00 O ATOM 401 CG2 THR A 25 -6.211 -5.588 -1.081 1.00 0.00 C ATOM 0 H THR A 25 -6.912 -8.344 -0.762 1.00 0.00 H new ATOM 0 HA THR A 25 -5.189 -7.648 1.518 1.00 0.00 H new ATOM 0 HB THR A 25 -4.390 -6.600 -0.623 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.688 -5.490 1.684 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.729 -4.777 -1.627 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.523 -6.362 -1.782 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.084 -5.202 -0.554 1.00 0.00 H new ATOM 409 N ALA A 26 -7.136 -5.564 1.786 1.00 0.00 N ATOM 410 CA ALA A 26 -8.290 -4.932 2.409 1.00 0.00 C ATOM 411 C ALA A 26 -8.426 -3.497 1.907 1.00 0.00 C ATOM 412 O ALA A 26 -7.631 -2.629 2.261 1.00 0.00 O ATOM 413 CB ALA A 26 -8.157 -4.957 3.920 1.00 0.00 C ATOM 0 H ALA A 26 -6.326 -4.950 1.700 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.188 -5.487 2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.028 -4.481 4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.091 -5.990 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.256 -4.419 4.215 1.00 0.00 H new ATOM 419 N GLU A 27 -9.430 -3.264 1.062 1.00 0.00 N ATOM 420 CA GLU A 27 -9.682 -1.940 0.476 1.00 0.00 C ATOM 421 C GLU A 27 -9.353 -0.797 1.439 1.00 0.00 C ATOM 422 O GLU A 27 -8.907 0.273 1.017 1.00 0.00 O ATOM 423 CB GLU A 27 -11.143 -1.831 0.032 1.00 0.00 C ATOM 424 CG GLU A 27 -12.123 -2.464 0.994 1.00 0.00 C ATOM 425 CD GLU A 27 -13.475 -1.778 0.989 1.00 0.00 C ATOM 426 OE1 GLU A 27 -13.545 -0.608 0.560 1.00 0.00 O ATOM 427 OE2 GLU A 27 -14.465 -2.412 1.414 1.00 0.00 O ATOM 0 H GLU A 27 -10.091 -3.981 0.763 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.020 -1.843 -0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.398 -0.778 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.252 -2.302 -0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.253 -3.515 0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.708 -2.433 2.002 1.00 0.00 H new ATOM 434 N LYS A 28 -9.578 -1.022 2.725 1.00 0.00 N ATOM 435 CA LYS A 28 -9.310 -0.002 3.737 1.00 0.00 C ATOM 436 C LYS A 28 -7.914 0.601 3.585 1.00 0.00 C ATOM 437 O LYS A 28 -7.672 1.726 4.018 1.00 0.00 O ATOM 438 CB LYS A 28 -9.463 -0.588 5.151 1.00 0.00 C ATOM 439 CG LYS A 28 -10.668 -1.498 5.316 1.00 0.00 C ATOM 440 CD LYS A 28 -11.949 -0.834 4.826 1.00 0.00 C ATOM 441 CE LYS A 28 -12.942 -0.630 5.964 1.00 0.00 C ATOM 442 NZ LYS A 28 -12.870 0.746 6.525 1.00 0.00 N ATOM 0 H LYS A 28 -9.945 -1.899 3.095 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.042 0.792 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.561 -1.147 5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.539 0.231 5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.504 -2.423 4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.778 -1.769 6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.711 0.128 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.405 -1.448 4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.952 -0.822 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.743 -1.355 6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.561 0.843 7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.913 0.921 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.085 1.437 5.778 1.00 0.00 H new ATOM 456 N TYR A 29 -6.994 -0.150 2.983 1.00 0.00 N ATOM 457 CA TYR A 29 -5.621 0.334 2.802 1.00 0.00 C ATOM 458 C TYR A 29 -5.535 1.443 1.754 1.00 0.00 C ATOM 459 O TYR A 29 -5.014 2.521 2.037 1.00 0.00 O ATOM 460 CB TYR A 29 -4.666 -0.807 2.431 1.00 0.00 C ATOM 461 CG TYR A 29 -4.736 -1.984 3.378 1.00 0.00 C ATOM 462 CD1 TYR A 29 -4.427 -1.834 4.725 1.00 0.00 C ATOM 463 CD2 TYR A 29 -5.109 -3.240 2.926 1.00 0.00 C ATOM 464 CE1 TYR A 29 -4.485 -2.905 5.589 1.00 0.00 C ATOM 465 CE2 TYR A 29 -5.172 -4.317 3.785 1.00 0.00 C ATOM 466 CZ TYR A 29 -4.858 -4.143 5.114 1.00 0.00 C ATOM 467 OH TYR A 29 -4.925 -5.218 5.982 1.00 0.00 O ATOM 0 H TYR A 29 -7.168 -1.085 2.615 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.314 0.750 3.762 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.896 -1.149 1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.645 -0.425 2.414 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.137 -0.863 5.100 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.354 -3.378 1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.240 -2.775 6.633 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.465 -5.289 3.418 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.204 -6.018 5.490 1.00 0.00 H new ATOM 477 N PHE A 30 -6.031 1.186 0.543 1.00 0.00 N ATOM 478 CA PHE A 30 -5.974 2.197 -0.511 1.00 0.00 C ATOM 479 C PHE A 30 -6.736 3.453 -0.101 1.00 0.00 C ATOM 480 O PHE A 30 -6.456 4.546 -0.595 1.00 0.00 O ATOM 481 CB PHE A 30 -6.486 1.658 -1.857 1.00 0.00 C ATOM 482 CG PHE A 30 -7.944 1.281 -1.892 1.00 0.00 C ATOM 483 CD1 PHE A 30 -8.937 2.215 -1.628 1.00 0.00 C ATOM 484 CD2 PHE A 30 -8.319 -0.013 -2.210 1.00 0.00 C ATOM 485 CE1 PHE A 30 -10.272 1.860 -1.679 1.00 0.00 C ATOM 486 CE2 PHE A 30 -9.652 -0.373 -2.260 1.00 0.00 C ATOM 487 CZ PHE A 30 -10.629 0.565 -1.994 1.00 0.00 C ATOM 0 H PHE A 30 -6.468 0.305 0.272 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.925 2.460 -0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.305 2.412 -2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.896 0.782 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.663 3.230 -1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.559 -0.751 -2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.035 2.596 -1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.929 -1.387 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.672 0.286 -2.032 1.00 0.00 H new ATOM 497 N LYS A 31 -7.689 3.297 0.813 1.00 0.00 N ATOM 498 CA LYS A 31 -8.472 4.432 1.292 1.00 0.00 C ATOM 499 C LYS A 31 -7.701 5.180 2.370 1.00 0.00 C ATOM 500 O LYS A 31 -7.784 6.404 2.479 1.00 0.00 O ATOM 501 CB LYS A 31 -9.817 3.961 1.847 1.00 0.00 C ATOM 502 CG LYS A 31 -11.002 4.342 0.977 1.00 0.00 C ATOM 503 CD LYS A 31 -12.289 4.408 1.784 1.00 0.00 C ATOM 504 CE LYS A 31 -13.432 3.700 1.075 1.00 0.00 C ATOM 505 NZ LYS A 31 -14.256 2.893 2.018 1.00 0.00 N ATOM 0 H LYS A 31 -7.937 2.402 1.235 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.657 5.103 0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.794 2.877 1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.957 4.383 2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.815 5.309 0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.113 3.615 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.130 3.953 2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.557 5.450 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.064 4.437 0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.030 3.051 0.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.025 2.426 1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.659 2.173 2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.661 3.516 2.746 1.00 0.00 H new ATOM 519 N LEU A 32 -6.950 4.427 3.165 1.00 0.00 N ATOM 520 CA LEU A 32 -6.155 4.997 4.242 1.00 0.00 C ATOM 521 C LEU A 32 -4.955 5.755 3.687 1.00 0.00 C ATOM 522 O LEU A 32 -4.647 6.862 4.131 1.00 0.00 O ATOM 523 CB LEU A 32 -5.688 3.888 5.185 1.00 0.00 C ATOM 524 CG LEU A 32 -6.254 3.962 6.603 1.00 0.00 C ATOM 525 CD1 LEU A 32 -6.095 2.626 7.312 1.00 0.00 C ATOM 526 CD2 LEU A 32 -5.571 5.070 7.392 1.00 0.00 C ATOM 0 H LEU A 32 -6.876 3.413 3.081 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.776 5.701 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.960 2.925 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.600 3.916 5.243 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.318 4.191 6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.504 2.698 8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.630 1.854 6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.038 2.367 7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.986 5.109 8.399 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.501 4.870 7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.736 6.026 6.895 1.00 0.00 H new ATOM 538 N ILE A 33 -4.278 5.151 2.715 1.00 0.00 N ATOM 539 CA ILE A 33 -3.109 5.770 2.105 1.00 0.00 C ATOM 540 C ILE A 33 -3.496 6.981 1.261 1.00 0.00 C ATOM 541 O ILE A 33 -2.837 8.019 1.314 1.00 0.00 O ATOM 542 CB ILE A 33 -2.319 4.770 1.241 1.00 0.00 C ATOM 543 CG1 ILE A 33 -3.249 4.017 0.286 1.00 0.00 C ATOM 544 CG2 ILE A 33 -1.559 3.795 2.126 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.963 4.300 -1.170 1.00 0.00 C ATOM 0 H ILE A 33 -4.519 4.236 2.335 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.470 6.101 2.924 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.601 5.329 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.155 2.946 0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.282 4.288 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.005 3.094 1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.863 4.345 2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.263 3.246 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.657 3.736 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.085 5.366 -1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.941 4.003 -1.404 1.00 0.00 H new ATOM 557 N ALA A 34 -4.573 6.853 0.491 1.00 0.00 N ATOM 558 CA ALA A 34 -5.043 7.949 -0.347 1.00 0.00 C ATOM 559 C ALA A 34 -5.336 9.188 0.493 1.00 0.00 C ATOM 560 O ALA A 34 -5.321 10.311 -0.009 1.00 0.00 O ATOM 561 CB ALA A 34 -6.282 7.529 -1.123 1.00 0.00 C ATOM 0 H ALA A 34 -5.134 6.004 0.431 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.254 8.198 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.621 8.358 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.042 6.675 -1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.072 7.252 -0.425 1.00 0.00 H new ATOM 567 N ASN A 35 -5.602 8.972 1.779 1.00 0.00 N ATOM 568 CA ASN A 35 -5.897 10.066 2.696 1.00 0.00 C ATOM 569 C ASN A 35 -4.608 10.705 3.218 1.00 0.00 C ATOM 570 O ASN A 35 -4.615 11.849 3.672 1.00 0.00 O ATOM 571 CB ASN A 35 -6.756 9.555 3.860 1.00 0.00 C ATOM 572 CG ASN A 35 -6.894 10.571 4.979 1.00 0.00 C ATOM 573 OD1 ASN A 35 -6.894 11.776 4.739 1.00 0.00 O ATOM 574 ND2 ASN A 35 -7.013 10.083 6.209 1.00 0.00 N ATOM 0 H ASN A 35 -5.619 8.047 2.209 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.454 10.831 2.155 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.747 9.295 3.488 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.315 8.641 4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.110 10.717 7.002 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.008 9.074 6.360 1.00 0.00 H new ATOM 581 N ALA A 36 -3.503 9.964 3.146 1.00 0.00 N ATOM 582 CA ALA A 36 -2.214 10.470 3.608 1.00 0.00 C ATOM 583 C ALA A 36 -1.827 11.742 2.864 1.00 0.00 C ATOM 584 O ALA A 36 -2.123 11.894 1.679 1.00 0.00 O ATOM 585 CB ALA A 36 -1.135 9.412 3.436 1.00 0.00 C ATOM 0 H ALA A 36 -3.476 9.015 2.773 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.307 10.709 4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.180 9.806 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.397 8.527 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.053 9.144 2.383 1.00 0.00 H new ATOM 591 N LYS A 37 -1.163 12.655 3.565 1.00 0.00 N ATOM 592 CA LYS A 37 -0.734 13.907 2.961 1.00 0.00 C ATOM 593 C LYS A 37 0.588 13.741 2.228 1.00 0.00 C ATOM 594 O LYS A 37 0.857 14.432 1.246 1.00 0.00 O ATOM 595 CB LYS A 37 -0.597 14.987 4.035 1.00 0.00 C ATOM 596 CG LYS A 37 -1.913 15.669 4.392 1.00 0.00 C ATOM 597 CD LYS A 37 -2.874 14.704 5.068 1.00 0.00 C ATOM 598 CE LYS A 37 -3.606 15.360 6.224 1.00 0.00 C ATOM 599 NZ LYS A 37 -3.058 14.937 7.543 1.00 0.00 N ATOM 0 H LYS A 37 -0.912 12.550 4.548 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.491 14.207 2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.174 14.540 4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.111 15.741 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.719 16.514 5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.373 16.070 3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.598 14.340 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.323 13.836 5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.533 16.444 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.665 15.107 6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.586 15.408 8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.151 13.906 7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.054 15.201 7.603 1.00 0.00 H new ATOM 613 N THR A 38 1.412 12.813 2.706 1.00 0.00 N ATOM 614 CA THR A 38 2.705 12.550 2.089 1.00 0.00 C ATOM 615 C THR A 38 2.695 11.215 1.351 1.00 0.00 C ATOM 616 O THR A 38 2.137 10.230 1.833 1.00 0.00 O ATOM 617 CB THR A 38 3.812 12.551 3.143 1.00 0.00 C ATOM 618 OG1 THR A 38 3.449 11.747 4.252 1.00 0.00 O ATOM 619 CG2 THR A 38 4.139 13.930 3.663 1.00 0.00 C ATOM 0 H THR A 38 1.206 12.232 3.518 1.00 0.00 H new ATOM 0 HA THR A 38 2.900 13.344 1.369 1.00 0.00 H new ATOM 0 HB THR A 38 4.692 12.153 2.639 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.171 11.759 4.915 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.932 13.860 4.407 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.471 14.561 2.838 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.251 14.367 4.119 1.00 0.00 H new ATOM 627 N VAL A 39 3.313 11.194 0.176 1.00 0.00 N ATOM 628 CA VAL A 39 3.376 9.986 -0.636 1.00 0.00 C ATOM 629 C VAL A 39 4.146 8.877 0.077 1.00 0.00 C ATOM 630 O VAL A 39 3.796 7.701 -0.027 1.00 0.00 O ATOM 631 CB VAL A 39 4.040 10.258 -2.000 1.00 0.00 C ATOM 632 CG1 VAL A 39 3.200 11.227 -2.818 1.00 0.00 C ATOM 633 CG2 VAL A 39 5.452 10.792 -1.809 1.00 0.00 C ATOM 0 H VAL A 39 3.779 12.003 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 39 2.347 9.664 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 39 4.104 9.318 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.684 11.407 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.211 10.800 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.102 12.169 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.905 10.978 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.416 11.722 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.048 10.059 -1.266 1.00 0.00 H new ATOM 643 N GLU A 40 5.196 9.258 0.798 1.00 0.00 N ATOM 644 CA GLU A 40 6.017 8.295 1.527 1.00 0.00 C ATOM 645 C GLU A 40 5.158 7.395 2.412 1.00 0.00 C ATOM 646 O GLU A 40 5.517 6.250 2.685 1.00 0.00 O ATOM 647 CB GLU A 40 7.057 9.024 2.380 1.00 0.00 C ATOM 648 CG GLU A 40 7.931 9.980 1.586 1.00 0.00 C ATOM 649 CD GLU A 40 8.226 11.263 2.339 1.00 0.00 C ATOM 650 OE1 GLU A 40 8.336 11.209 3.583 1.00 0.00 O ATOM 651 OE2 GLU A 40 8.344 12.321 1.687 1.00 0.00 O ATOM 0 H GLU A 40 5.499 10.227 0.894 1.00 0.00 H new ATOM 0 HA GLU A 40 6.527 7.668 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.545 9.580 3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.692 8.288 2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.870 9.486 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.437 10.221 0.645 1.00 0.00 H new ATOM 658 N GLY A 41 4.017 7.920 2.848 1.00 0.00 N ATOM 659 CA GLY A 41 3.121 7.151 3.691 1.00 0.00 C ATOM 660 C GLY A 41 2.333 6.132 2.896 1.00 0.00 C ATOM 661 O GLY A 41 2.035 5.041 3.384 1.00 0.00 O ATOM 0 H GLY A 41 3.697 8.864 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.697 6.642 4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.432 7.826 4.200 1.00 0.00 H new ATOM 665 N VAL A 42 2.000 6.497 1.666 1.00 0.00 N ATOM 666 CA VAL A 42 1.242 5.625 0.784 1.00 0.00 C ATOM 667 C VAL A 42 2.136 4.560 0.158 1.00 0.00 C ATOM 668 O VAL A 42 1.767 3.387 0.090 1.00 0.00 O ATOM 669 CB VAL A 42 0.565 6.436 -0.338 1.00 0.00 C ATOM 670 CG1 VAL A 42 -0.142 5.516 -1.321 1.00 0.00 C ATOM 671 CG2 VAL A 42 -0.404 7.451 0.248 1.00 0.00 C ATOM 0 H VAL A 42 2.246 7.398 1.255 1.00 0.00 H new ATOM 0 HA VAL A 42 0.479 5.137 1.391 1.00 0.00 H new ATOM 0 HB VAL A 42 1.338 6.977 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.612 6.112 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.583 4.836 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.904 4.940 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.873 8.014 -0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.172 6.932 0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.137 8.135 0.902 1.00 0.00 H new ATOM 681 N TRP A 43 3.309 4.975 -0.308 1.00 0.00 N ATOM 682 CA TRP A 43 4.246 4.049 -0.937 1.00 0.00 C ATOM 683 C TRP A 43 4.765 3.032 0.075 1.00 0.00 C ATOM 684 O TRP A 43 5.145 1.916 -0.288 1.00 0.00 O ATOM 685 CB TRP A 43 5.414 4.820 -1.569 1.00 0.00 C ATOM 686 CG TRP A 43 5.051 5.489 -2.866 1.00 0.00 C ATOM 687 CD1 TRP A 43 4.456 6.710 -3.025 1.00 0.00 C ATOM 688 CD2 TRP A 43 5.250 4.968 -4.187 1.00 0.00 C ATOM 689 NE1 TRP A 43 4.289 6.984 -4.359 1.00 0.00 N ATOM 690 CE2 TRP A 43 4.765 5.931 -5.093 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.795 3.784 -4.694 1.00 0.00 C ATOM 692 CZ2 TRP A 43 4.809 5.748 -6.472 1.00 0.00 C ATOM 693 CZ3 TRP A 43 5.834 3.603 -6.064 1.00 0.00 C ATOM 694 CH2 TRP A 43 5.346 4.580 -6.939 1.00 0.00 C ATOM 0 H TRP A 43 3.633 5.941 -0.263 1.00 0.00 H new ATOM 0 HA TRP A 43 3.718 3.508 -1.722 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.766 5.574 -0.865 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.243 4.133 -1.742 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.160 7.364 -2.218 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.877 7.835 -4.742 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.178 3.025 -4.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.433 6.501 -7.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.249 2.691 -6.466 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.394 4.408 -8.004 1.00 0.00 H new ATOM 705 N THR A 44 4.774 3.417 1.348 1.00 0.00 N ATOM 706 CA THR A 44 5.237 2.530 2.407 1.00 0.00 C ATOM 707 C THR A 44 4.157 1.512 2.759 1.00 0.00 C ATOM 708 O THR A 44 4.437 0.323 2.920 1.00 0.00 O ATOM 709 CB THR A 44 5.621 3.335 3.650 1.00 0.00 C ATOM 710 OG1 THR A 44 4.630 4.303 3.946 1.00 0.00 O ATOM 711 CG2 THR A 44 6.942 4.060 3.507 1.00 0.00 C ATOM 0 H THR A 44 4.467 4.335 1.669 1.00 0.00 H new ATOM 0 HA THR A 44 6.118 1.998 2.047 1.00 0.00 H new ATOM 0 HB THR A 44 5.711 2.603 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.765 5.093 3.381 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.155 4.611 4.423 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.737 3.336 3.326 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.887 4.755 2.669 1.00 0.00 H new ATOM 719 N LEU A 45 2.921 1.987 2.870 1.00 0.00 N ATOM 720 CA LEU A 45 1.796 1.120 3.197 1.00 0.00 C ATOM 721 C LEU A 45 1.534 0.127 2.070 1.00 0.00 C ATOM 722 O LEU A 45 1.312 -1.060 2.314 1.00 0.00 O ATOM 723 CB LEU A 45 0.540 1.953 3.466 1.00 0.00 C ATOM 724 CG LEU A 45 -0.222 1.580 4.738 1.00 0.00 C ATOM 725 CD1 LEU A 45 0.344 2.319 5.940 1.00 0.00 C ATOM 726 CD2 LEU A 45 -1.707 1.870 4.578 1.00 0.00 C ATOM 0 H LEU A 45 2.673 2.968 2.738 1.00 0.00 H new ATOM 0 HA LEU A 45 2.048 0.562 4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.825 3.003 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.133 1.853 2.615 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.100 0.510 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.213 2.039 6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.394 2.055 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.257 3.394 5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.232 1.598 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.851 2.932 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.104 1.288 3.746 1.00 0.00 H new ATOM 737 N LYS A 46 1.567 0.615 0.832 1.00 0.00 N ATOM 738 CA LYS A 46 1.338 -0.239 -0.326 1.00 0.00 C ATOM 739 C LYS A 46 2.403 -1.325 -0.394 1.00 0.00 C ATOM 740 O LYS A 46 2.110 -2.476 -0.719 1.00 0.00 O ATOM 741 CB LYS A 46 1.331 0.581 -1.618 1.00 0.00 C ATOM 742 CG LYS A 46 2.654 1.261 -1.921 1.00 0.00 C ATOM 743 CD LYS A 46 3.520 0.416 -2.842 1.00 0.00 C ATOM 744 CE LYS A 46 4.943 0.945 -2.908 1.00 0.00 C ATOM 745 NZ LYS A 46 5.631 0.536 -4.164 1.00 0.00 N ATOM 0 H LYS A 46 1.749 1.593 0.608 1.00 0.00 H new ATOM 0 HA LYS A 46 0.360 -0.708 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.070 -0.073 -2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.551 1.339 -1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.468 2.230 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.188 1.450 -0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.530 -0.615 -2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.087 0.406 -3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.929 2.033 -2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.506 0.579 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.560 0.999 -4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.758 -0.496 -4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.056 0.819 -4.983 1.00 0.00 H new ATOM 759 N ASP A 47 3.638 -0.959 -0.059 1.00 0.00 N ATOM 760 CA ASP A 47 4.734 -1.918 -0.059 1.00 0.00 C ATOM 761 C ASP A 47 4.412 -3.059 0.896 1.00 0.00 C ATOM 762 O ASP A 47 4.700 -4.226 0.618 1.00 0.00 O ATOM 763 CB ASP A 47 6.042 -1.239 0.353 1.00 0.00 C ATOM 764 CG ASP A 47 7.261 -1.934 -0.223 1.00 0.00 C ATOM 765 OD1 ASP A 47 7.407 -1.946 -1.463 1.00 0.00 O ATOM 766 OD2 ASP A 47 8.069 -2.466 0.568 1.00 0.00 O ATOM 0 H ASP A 47 3.901 -0.012 0.214 1.00 0.00 H new ATOM 0 HA ASP A 47 4.857 -2.315 -1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.029 -0.201 0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.115 -1.226 1.441 1.00 0.00 H new ATOM 771 N GLU A 48 3.784 -2.710 2.017 1.00 0.00 N ATOM 772 CA GLU A 48 3.391 -3.700 3.010 1.00 0.00 C ATOM 773 C GLU A 48 2.346 -4.642 2.423 1.00 0.00 C ATOM 774 O GLU A 48 2.222 -5.791 2.844 1.00 0.00 O ATOM 775 CB GLU A 48 2.837 -3.015 4.261 1.00 0.00 C ATOM 776 CG GLU A 48 3.878 -2.219 5.030 1.00 0.00 C ATOM 777 CD GLU A 48 3.750 -2.389 6.531 1.00 0.00 C ATOM 778 OE1 GLU A 48 3.861 -3.537 7.009 1.00 0.00 O ATOM 779 OE2 GLU A 48 3.540 -1.374 7.229 1.00 0.00 O ATOM 0 H GLU A 48 3.538 -1.750 2.258 1.00 0.00 H new ATOM 0 HA GLU A 48 4.272 -4.277 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.024 -2.349 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.410 -3.771 4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.874 -2.532 4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.781 -1.163 4.778 1.00 0.00 H new ATOM 786 N ILE A 49 1.606 -4.145 1.435 1.00 0.00 N ATOM 787 CA ILE A 49 0.581 -4.935 0.768 1.00 0.00 C ATOM 788 C ILE A 49 1.216 -5.927 -0.199 1.00 0.00 C ATOM 789 O ILE A 49 0.805 -7.084 -0.283 1.00 0.00 O ATOM 790 CB ILE A 49 -0.396 -4.034 -0.009 1.00 0.00 C ATOM 791 CG1 ILE A 49 -0.954 -2.945 0.912 1.00 0.00 C ATOM 792 CG2 ILE A 49 -1.516 -4.867 -0.616 1.00 0.00 C ATOM 793 CD1 ILE A 49 -1.932 -3.460 1.948 1.00 0.00 C ATOM 0 H ILE A 49 1.700 -3.194 1.079 1.00 0.00 H new ATOM 0 HA ILE A 49 0.031 -5.475 1.539 1.00 0.00 H new ATOM 0 HB ILE A 49 0.141 -3.548 -0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.125 -2.454 1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.449 -2.187 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.199 -4.216 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.093 -5.603 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.060 -5.379 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.283 -2.630 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.781 -3.925 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.437 -4.196 2.582 1.00 0.00 H new ATOM 805 N LYS A 50 2.225 -5.461 -0.930 1.00 0.00 N ATOM 806 CA LYS A 50 2.925 -6.303 -1.892 1.00 0.00 C ATOM 807 C LYS A 50 3.525 -7.523 -1.204 1.00 0.00 C ATOM 808 O LYS A 50 3.636 -8.593 -1.802 1.00 0.00 O ATOM 809 CB LYS A 50 4.024 -5.506 -2.597 1.00 0.00 C ATOM 810 CG LYS A 50 4.446 -6.102 -3.931 1.00 0.00 C ATOM 811 CD LYS A 50 5.261 -7.372 -3.742 1.00 0.00 C ATOM 812 CE LYS A 50 6.482 -7.393 -4.649 1.00 0.00 C ATOM 813 NZ LYS A 50 7.722 -7.006 -3.920 1.00 0.00 N ATOM 0 H LYS A 50 2.575 -4.505 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 50 2.204 -6.643 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.675 -4.486 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.894 -5.446 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.561 -6.322 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.033 -5.371 -4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.578 -7.450 -2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.636 -8.240 -3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.605 -8.391 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.325 -6.712 -5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.531 -7.033 -4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.615 -6.044 -3.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.886 -7.671 -3.137 1.00 0.00 H new ATOM 827 N THR A 51 3.902 -7.359 0.061 1.00 0.00 N ATOM 828 CA THR A 51 4.483 -8.454 0.831 1.00 0.00 C ATOM 829 C THR A 51 3.435 -9.090 1.737 1.00 0.00 C ATOM 830 O THR A 51 3.293 -10.312 1.778 1.00 0.00 O ATOM 831 CB THR A 51 5.660 -7.949 1.667 1.00 0.00 C ATOM 832 OG1 THR A 51 6.280 -6.838 1.043 1.00 0.00 O ATOM 833 CG2 THR A 51 6.720 -8.997 1.894 1.00 0.00 C ATOM 0 H THR A 51 3.816 -6.481 0.573 1.00 0.00 H new ATOM 0 HA THR A 51 4.843 -9.209 0.133 1.00 0.00 H new ATOM 0 HB THR A 51 5.233 -7.671 2.630 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.029 -6.529 1.594 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.527 -8.575 2.493 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.285 -9.847 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.116 -9.328 0.934 1.00 0.00 H new ATOM 841 N PHE A 52 2.701 -8.249 2.461 1.00 0.00 N ATOM 842 CA PHE A 52 1.656 -8.716 3.371 1.00 0.00 C ATOM 843 C PHE A 52 2.158 -9.845 4.259 1.00 0.00 C ATOM 844 O PHE A 52 1.369 -10.657 4.744 1.00 0.00 O ATOM 845 CB PHE A 52 0.434 -9.178 2.578 1.00 0.00 C ATOM 846 CG PHE A 52 -0.825 -8.447 2.941 1.00 0.00 C ATOM 847 CD1 PHE A 52 -1.508 -8.761 4.112 1.00 0.00 C ATOM 848 CD2 PHE A 52 -1.334 -7.452 2.128 1.00 0.00 C ATOM 849 CE1 PHE A 52 -2.668 -8.091 4.457 1.00 0.00 C ATOM 850 CE2 PHE A 52 -2.492 -6.777 2.466 1.00 0.00 C ATOM 851 CZ PHE A 52 -3.159 -7.097 3.631 1.00 0.00 C ATOM 0 H PHE A 52 2.811 -7.235 2.435 1.00 0.00 H new ATOM 0 HA PHE A 52 1.374 -7.881 4.013 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.629 -9.044 1.514 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.286 -10.245 2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.128 -9.537 4.759 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.819 -7.198 1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.189 -8.344 5.369 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.874 -6.001 1.820 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.064 -6.571 3.897 1.00 0.00 H new ATOM 861 N THR A 53 3.463 -9.899 4.481 1.00 0.00 N ATOM 862 CA THR A 53 4.059 -10.930 5.314 1.00 0.00 C ATOM 863 C THR A 53 3.924 -10.570 6.792 1.00 0.00 C ATOM 864 O THR A 53 3.586 -11.419 7.618 1.00 0.00 O ATOM 865 CB THR A 53 5.536 -11.120 4.938 1.00 0.00 C ATOM 866 OG1 THR A 53 5.654 -11.907 3.767 1.00 0.00 O ATOM 867 CG2 THR A 53 6.384 -11.779 6.011 1.00 0.00 C ATOM 0 H THR A 53 4.133 -9.235 4.092 1.00 0.00 H new ATOM 0 HA THR A 53 3.530 -11.868 5.143 1.00 0.00 H new ATOM 0 HB THR A 53 5.910 -10.107 4.792 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.601 -12.017 3.541 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.411 -11.872 5.657 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.365 -11.170 6.915 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.986 -12.769 6.232 1.00 0.00 H new ATOM 875 N VAL A 54 4.179 -9.310 7.117 1.00 0.00 N ATOM 876 CA VAL A 54 4.088 -8.840 8.494 1.00 0.00 C ATOM 877 C VAL A 54 2.648 -8.506 8.863 1.00 0.00 C ATOM 878 O VAL A 54 1.804 -8.302 7.990 1.00 0.00 O ATOM 879 CB VAL A 54 4.958 -7.589 8.718 1.00 0.00 C ATOM 880 CG1 VAL A 54 6.439 -7.963 8.707 1.00 0.00 C ATOM 881 CG2 VAL A 54 4.660 -6.530 7.674 1.00 0.00 C ATOM 0 H VAL A 54 4.451 -8.593 6.445 1.00 0.00 H new ATOM 0 HA VAL A 54 4.450 -9.648 9.129 1.00 0.00 H new ATOM 0 HB VAL A 54 4.716 -7.172 9.696 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.041 -7.069 8.866 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.639 -8.682 9.502 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.695 -8.406 7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.287 -5.656 7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.869 -6.929 6.681 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.610 -6.243 7.736 1.00 0.00 H new ATOM 891 N THR A 55 2.366 -8.452 10.162 1.00 0.00 N ATOM 892 CA THR A 55 1.036 -8.142 10.645 1.00 0.00 C ATOM 893 C THR A 55 1.097 -7.199 11.843 1.00 0.00 C ATOM 894 O THR A 55 2.033 -7.240 12.631 1.00 0.00 O ATOM 895 CB THR A 55 0.300 -9.428 11.032 1.00 0.00 C ATOM 896 OG1 THR A 55 0.461 -10.414 10.026 1.00 0.00 O ATOM 897 CG2 THR A 55 -1.183 -9.225 11.242 1.00 0.00 C ATOM 0 H THR A 55 3.051 -8.621 10.899 1.00 0.00 H new ATOM 0 HA THR A 55 0.492 -7.645 9.842 1.00 0.00 H new ATOM 0 HB THR A 55 0.743 -9.747 11.975 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.014 -11.230 10.289 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.645 -10.174 11.514 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.342 -8.502 12.042 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.633 -8.853 10.322 1.00 0.00 H new ATOM 905 N GLU A 56 0.080 -6.352 11.977 1.00 0.00 N ATOM 906 CA GLU A 56 0.017 -5.401 13.082 1.00 0.00 C ATOM 907 C GLU A 56 -1.038 -5.811 14.095 1.00 0.00 C ATOM 908 O GLU A 56 -1.259 -5.049 15.059 1.00 0.00 O ATOM 909 CB GLU A 56 -0.282 -3.993 12.547 1.00 0.00 C ATOM 910 CG GLU A 56 -1.606 -3.899 11.806 1.00 0.00 C ATOM 911 CD GLU A 56 -2.605 -2.993 12.501 1.00 0.00 C ATOM 912 OE1 GLU A 56 -2.166 -2.046 13.187 1.00 0.00 O ATOM 913 OE2 GLU A 56 -3.823 -3.229 12.355 1.00 0.00 O ATOM 914 OXT GLU A 56 -1.640 -6.896 13.923 1.00 0.00 O ATOM 0 H GLU A 56 -0.711 -6.305 11.335 1.00 0.00 H new ATOM 0 HA GLU A 56 0.985 -5.396 13.584 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.289 -3.290 13.380 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.523 -3.688 11.878 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.427 -3.528 10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.034 -4.897 11.708 1.00 0.00 H new TER 921 GLU A 56