USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 469 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 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 THR OG1 : rot -140:sc= -0.0661 USER MOD Set 2.1: A 3 TYR OH : rot 40:sc= -3.09! USER MOD Set 2.2: A 45 TYR OH : rot 60:sc= -0.38 USER MOD Single : A 1 THR N :NH3+ -160:sc= 1.3 (180deg=1.16) USER MOD Single : A 1 THR OG1 : rot 34:sc= -0.0305 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00237 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=0.065) USER MOD Single : A 10 LYS NZ :NH3+ -157:sc= -0.0368 (180deg=-0.24) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -135:sc= -0.203 (180deg=-0.613) 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 X(o=0,f=-0.041) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 130:sc= -0.63 USER MOD Single : A 44 THR OG1 : rot 15:sc= 0.521 USER MOD Single : A 50 LYS NZ :NH3+ -150:sc= 0.329 (180deg=0.0748) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.6! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.380 -15.274 2.399 1.00 0.00 N ATOM 2 CA THR A 1 2.866 -14.904 1.054 1.00 0.00 C ATOM 3 C THR A 1 3.485 -13.596 0.567 1.00 0.00 C ATOM 4 O THR A 1 3.525 -12.601 1.298 1.00 0.00 O ATOM 5 CB THR A 1 1.343 -14.763 1.134 1.00 0.00 C ATOM 6 OG1 THR A 1 0.965 -14.034 2.284 1.00 0.00 O ATOM 7 CG2 THR A 1 0.629 -16.102 1.183 1.00 0.00 C ATOM 0 H1 THR A 1 3.226 -16.290 2.562 1.00 0.00 H new ATOM 0 H2 THR A 1 4.397 -15.065 2.451 1.00 0.00 H new ATOM 0 H3 THR A 1 2.876 -14.726 3.126 1.00 0.00 H new ATOM 0 HA THR A 1 3.137 -15.684 0.343 1.00 0.00 H new ATOM 0 HB THR A 1 1.049 -14.238 0.225 1.00 0.00 H new ATOM 0 HG1 THR A 1 1.638 -13.347 2.472 1.00 0.00 H new ATOM 0 HG21 THR A 1 -0.447 -15.939 1.239 1.00 0.00 H new ATOM 0 HG22 THR A 1 0.863 -16.672 0.284 1.00 0.00 H new ATOM 0 HG23 THR A 1 0.958 -16.658 2.061 1.00 0.00 H new ATOM 17 N THR A 2 3.964 -13.598 -0.672 1.00 0.00 N ATOM 18 CA THR A 2 4.585 -12.421 -1.262 1.00 0.00 C ATOM 19 C THR A 2 3.525 -11.449 -1.782 1.00 0.00 C ATOM 20 O THR A 2 2.744 -11.792 -2.670 1.00 0.00 O ATOM 21 CB THR A 2 5.527 -12.825 -2.396 1.00 0.00 C ATOM 22 OG1 THR A 2 6.075 -14.104 -2.158 1.00 0.00 O ATOM 23 CG2 THR A 2 6.678 -11.865 -2.591 1.00 0.00 C ATOM 0 H THR A 2 3.933 -14.409 -1.290 1.00 0.00 H new ATOM 0 HA THR A 2 5.163 -11.919 -0.486 1.00 0.00 H new ATOM 0 HB THR A 2 4.912 -12.817 -3.296 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.674 -14.346 -2.895 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.306 -12.212 -3.411 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.289 -10.874 -2.826 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.269 -11.815 -1.677 1.00 0.00 H new ATOM 31 N TYR A 3 3.508 -10.253 -1.223 1.00 0.00 N ATOM 32 CA TYR A 3 2.545 -9.235 -1.628 1.00 0.00 C ATOM 33 C TYR A 3 3.193 -8.204 -2.546 1.00 0.00 C ATOM 34 O TYR A 3 4.397 -7.955 -2.461 1.00 0.00 O ATOM 35 CB TYR A 3 1.966 -8.534 -0.399 1.00 0.00 C ATOM 36 CG TYR A 3 0.876 -9.311 0.304 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.879 -10.700 0.327 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.159 -8.645 0.943 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.121 -11.404 0.969 1.00 0.00 C ATOM 40 CE2 TYR A 3 -1.163 -9.341 1.587 1.00 0.00 C ATOM 41 CZ TYR A 3 -1.142 -10.720 1.598 1.00 0.00 C ATOM 42 OH TYR A 3 -2.140 -11.417 2.238 1.00 0.00 O ATOM 0 H TYR A 3 4.149 -9.959 -0.486 1.00 0.00 H new ATOM 0 HA TYR A 3 1.742 -9.731 -2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.772 -8.341 0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.568 -7.565 -0.701 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.676 -11.238 -0.165 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.180 -7.565 0.937 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.104 -12.484 0.979 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.962 -8.807 2.080 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.753 -12.184 2.709 1.00 0.00 H new ATOM 52 N LYS A 4 2.387 -7.604 -3.419 1.00 0.00 N ATOM 53 CA LYS A 4 2.884 -6.595 -4.352 1.00 0.00 C ATOM 54 C LYS A 4 2.046 -5.320 -4.279 1.00 0.00 C ATOM 55 O LYS A 4 0.816 -5.376 -4.250 1.00 0.00 O ATOM 56 CB LYS A 4 2.874 -7.143 -5.780 1.00 0.00 C ATOM 57 CG LYS A 4 4.171 -7.830 -6.178 1.00 0.00 C ATOM 58 CD LYS A 4 3.932 -8.915 -7.216 1.00 0.00 C ATOM 59 CE LYS A 4 3.299 -10.143 -6.593 1.00 0.00 C ATOM 60 NZ LYS A 4 2.693 -11.034 -7.621 1.00 0.00 N ATOM 0 H LYS A 4 1.389 -7.798 -3.500 1.00 0.00 H new ATOM 0 HA LYS A 4 3.908 -6.350 -4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.051 -7.851 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.679 -6.325 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.868 -7.092 -6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.638 -8.266 -5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.286 -8.531 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.878 -9.188 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.053 -10.695 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.533 -9.836 -5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.270 -11.863 -7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.956 -10.515 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.429 -11.348 -8.286 1.00 0.00 H new ATOM 74 N LEU A 5 2.719 -4.173 -4.249 1.00 0.00 N ATOM 75 CA LEU A 5 2.035 -2.883 -4.178 1.00 0.00 C ATOM 76 C LEU A 5 2.361 -2.003 -5.362 1.00 0.00 C ATOM 77 O LEU A 5 3.498 -1.954 -5.830 1.00 0.00 O ATOM 78 CB LEU A 5 2.426 -2.091 -2.929 1.00 0.00 C ATOM 79 CG LEU A 5 1.547 -0.861 -2.655 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.072 -1.215 -2.733 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.879 -0.243 -1.305 1.00 0.00 C ATOM 0 H LEU A 5 3.737 -4.109 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 5 0.973 -3.129 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.381 -2.754 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.462 -1.767 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 5 1.760 -0.123 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.527 -0.326 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.159 -1.594 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.158 -1.980 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.243 0.626 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.708 -0.977 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.924 0.065 -1.293 1.00 0.00 H new ATOM 93 N ILE A 6 1.364 -1.258 -5.796 1.00 0.00 N ATOM 94 CA ILE A 6 1.544 -0.313 -6.872 1.00 0.00 C ATOM 95 C ILE A 6 0.827 0.981 -6.517 1.00 0.00 C ATOM 96 O ILE A 6 -0.393 0.998 -6.353 1.00 0.00 O ATOM 97 CB ILE A 6 1.016 -0.852 -8.215 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.571 -2.251 -8.483 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.383 0.095 -9.348 1.00 0.00 C ATOM 100 CD1 ILE A 6 3.081 -2.297 -8.562 1.00 0.00 C ATOM 0 H ILE A 6 0.418 -1.292 -5.416 1.00 0.00 H new ATOM 0 HA ILE A 6 2.613 -0.138 -6.994 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.071 -0.918 -8.160 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.236 -2.923 -7.693 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.155 -2.625 -9.418 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.003 -0.300 -10.290 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.942 1.074 -9.161 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.467 0.190 -9.406 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.404 -3.320 -8.754 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.423 -1.651 -9.370 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.505 -1.954 -7.619 1.00 0.00 H new ATOM 112 N LEU A 7 1.588 2.058 -6.367 1.00 0.00 N ATOM 113 CA LEU A 7 1.009 3.343 -5.995 1.00 0.00 C ATOM 114 C LEU A 7 0.847 4.256 -7.199 1.00 0.00 C ATOM 115 O LEU A 7 1.770 4.425 -7.998 1.00 0.00 O ATOM 116 CB LEU A 7 1.868 4.028 -4.932 1.00 0.00 C ATOM 117 CG LEU A 7 2.244 3.148 -3.739 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.340 2.166 -4.124 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.682 4.006 -2.562 1.00 0.00 C ATOM 0 H LEU A 7 2.600 2.068 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 7 0.018 3.148 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.783 4.387 -5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.334 4.904 -4.564 1.00 0.00 H new ATOM 0 HG LEU A 7 1.364 2.578 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.594 1.548 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.989 1.529 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.223 2.716 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.946 3.364 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.548 4.602 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.866 4.668 -2.271 1.00 0.00 H new ATOM 131 N ASN A 8 -0.335 4.850 -7.312 1.00 0.00 N ATOM 132 CA ASN A 8 -0.633 5.760 -8.411 1.00 0.00 C ATOM 133 C ASN A 8 -1.318 7.022 -7.896 1.00 0.00 C ATOM 134 O ASN A 8 -2.490 6.996 -7.521 1.00 0.00 O ATOM 135 CB ASN A 8 -1.516 5.069 -9.453 1.00 0.00 C ATOM 136 CG ASN A 8 -0.752 4.713 -10.713 1.00 0.00 C ATOM 137 OD1 ASN A 8 0.279 4.042 -10.659 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.253 5.163 -11.857 1.00 0.00 N ATOM 0 H ASN A 8 -1.104 4.717 -6.655 1.00 0.00 H new ATOM 0 HA ASN A 8 0.308 6.045 -8.882 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.942 4.163 -9.021 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.350 5.722 -9.709 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.781 4.956 -12.737 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.110 5.716 -11.856 1.00 0.00 H new ATOM 145 N LEU A 9 -0.577 8.126 -7.879 1.00 0.00 N ATOM 146 CA LEU A 9 -1.113 9.400 -7.407 1.00 0.00 C ATOM 147 C LEU A 9 -1.306 10.374 -8.569 1.00 0.00 C ATOM 148 O LEU A 9 -1.278 11.590 -8.383 1.00 0.00 O ATOM 149 CB LEU A 9 -0.184 10.016 -6.341 1.00 0.00 C ATOM 150 CG LEU A 9 1.053 10.742 -6.886 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.774 11.485 -5.772 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.996 9.755 -7.559 1.00 0.00 C ATOM 0 H LEU A 9 0.395 8.165 -8.186 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.086 9.210 -6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.763 10.719 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.147 9.223 -5.670 1.00 0.00 H new ATOM 0 HG LEU A 9 0.723 11.469 -7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.648 11.993 -6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.101 12.219 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.090 10.776 -5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.868 10.287 -7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.316 9.006 -6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.481 9.265 -8.385 1.00 0.00 H new ATOM 164 N LYS A 10 -1.509 9.831 -9.767 1.00 0.00 N ATOM 165 CA LYS A 10 -1.713 10.652 -10.956 1.00 0.00 C ATOM 166 C LYS A 10 -0.455 11.446 -11.291 1.00 0.00 C ATOM 167 O LYS A 10 -0.534 12.577 -11.770 1.00 0.00 O ATOM 168 CB LYS A 10 -2.896 11.602 -10.749 1.00 0.00 C ATOM 169 CG LYS A 10 -3.985 11.454 -11.797 1.00 0.00 C ATOM 170 CD LYS A 10 -5.054 10.465 -11.355 1.00 0.00 C ATOM 171 CE LYS A 10 -6.445 10.932 -11.754 1.00 0.00 C ATOM 172 NZ LYS A 10 -6.865 12.140 -10.993 1.00 0.00 N ATOM 0 H LYS A 10 -1.536 8.826 -9.939 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.933 9.989 -11.793 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.326 11.424 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.532 12.629 -10.758 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.442 12.425 -11.987 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.544 11.120 -12.736 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.855 9.490 -11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.008 10.337 -10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.462 11.152 -12.822 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.161 10.128 -11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.903 12.202 -10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.515 12.074 -10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.471 12.990 -11.445 1.00 0.00 H new ATOM 186 N GLN A 11 0.702 10.845 -11.039 1.00 0.00 N ATOM 187 CA GLN A 11 1.979 11.495 -11.317 1.00 0.00 C ATOM 188 C GLN A 11 3.052 10.461 -11.643 1.00 0.00 C ATOM 189 O GLN A 11 3.415 10.272 -12.802 1.00 0.00 O ATOM 190 CB GLN A 11 2.413 12.343 -10.119 1.00 0.00 C ATOM 191 CG GLN A 11 1.554 13.578 -9.904 1.00 0.00 C ATOM 192 CD GLN A 11 1.857 14.279 -8.597 1.00 0.00 C ATOM 193 OE1 GLN A 11 1.110 14.152 -7.626 1.00 0.00 O ATOM 194 NE2 GLN A 11 2.953 15.021 -8.558 1.00 0.00 N ATOM 0 H GLN A 11 0.783 9.909 -10.643 1.00 0.00 H new ATOM 0 HA GLN A 11 1.851 12.144 -12.183 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.382 11.728 -9.219 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.449 12.651 -10.259 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.711 14.273 -10.729 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.502 13.292 -9.923 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.545 15.100 -9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.205 15.514 -7.701 1.00 0.00 H new ATOM 203 N ALA A 12 3.551 9.791 -10.608 1.00 0.00 N ATOM 204 CA ALA A 12 4.579 8.772 -10.782 1.00 0.00 C ATOM 205 C ALA A 12 4.073 7.408 -10.320 1.00 0.00 C ATOM 206 O ALA A 12 2.962 7.287 -9.799 1.00 0.00 O ATOM 207 CB ALA A 12 5.834 9.155 -10.012 1.00 0.00 C ATOM 0 H ALA A 12 3.260 9.936 -9.641 1.00 0.00 H new ATOM 0 HA ALA A 12 4.821 8.707 -11.843 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.594 8.386 -10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.211 10.109 -10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.597 9.245 -8.952 1.00 0.00 H new ATOM 213 N LYS A 13 4.894 6.381 -10.520 1.00 0.00 N ATOM 214 CA LYS A 13 4.527 5.025 -10.127 1.00 0.00 C ATOM 215 C LYS A 13 5.510 4.473 -9.096 1.00 0.00 C ATOM 216 O LYS A 13 6.724 4.497 -9.310 1.00 0.00 O ATOM 217 CB LYS A 13 4.488 4.104 -11.357 1.00 0.00 C ATOM 218 CG LYS A 13 5.773 4.141 -12.172 1.00 0.00 C ATOM 219 CD LYS A 13 6.114 2.775 -12.747 1.00 0.00 C ATOM 220 CE LYS A 13 6.710 2.885 -14.142 1.00 0.00 C ATOM 221 NZ LYS A 13 7.672 1.784 -14.416 1.00 0.00 N ATOM 0 H LYS A 13 5.815 6.462 -10.951 1.00 0.00 H new ATOM 0 HA LYS A 13 3.535 5.060 -9.677 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.301 3.081 -11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.652 4.394 -11.994 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.669 4.862 -12.983 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.593 4.486 -11.543 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.820 2.269 -12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.215 2.160 -12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.910 2.863 -14.882 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.215 3.845 -14.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.058 1.891 -15.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.448 1.821 -13.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.183 0.869 -14.340 1.00 0.00 H new ATOM 235 N GLU A 14 4.982 3.975 -7.989 1.00 0.00 N ATOM 236 CA GLU A 14 5.814 3.414 -6.930 1.00 0.00 C ATOM 237 C GLU A 14 5.512 1.930 -6.735 1.00 0.00 C ATOM 238 O GLU A 14 4.433 1.455 -7.092 1.00 0.00 O ATOM 239 CB GLU A 14 5.595 4.175 -5.619 1.00 0.00 C ATOM 240 CG GLU A 14 6.728 5.129 -5.276 1.00 0.00 C ATOM 241 CD GLU A 14 8.075 4.437 -5.215 1.00 0.00 C ATOM 242 OE1 GLU A 14 8.159 3.355 -4.598 1.00 0.00 O ATOM 243 OE2 GLU A 14 9.045 4.977 -5.786 1.00 0.00 O ATOM 0 H GLU A 14 3.980 3.947 -7.798 1.00 0.00 H new ATOM 0 HA GLU A 14 6.858 3.518 -7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.664 4.738 -5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.476 3.458 -4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.766 5.925 -6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.522 5.601 -4.315 1.00 0.00 H new ATOM 250 N GLU A 15 6.472 1.201 -6.174 1.00 0.00 N ATOM 251 CA GLU A 15 6.306 -0.231 -5.942 1.00 0.00 C ATOM 252 C GLU A 15 6.580 -0.591 -4.483 1.00 0.00 C ATOM 253 O GLU A 15 7.201 0.177 -3.749 1.00 0.00 O ATOM 254 CB GLU A 15 7.241 -1.025 -6.858 1.00 0.00 C ATOM 255 CG GLU A 15 7.302 -0.488 -8.279 1.00 0.00 C ATOM 256 CD GLU A 15 8.265 -1.264 -9.147 1.00 0.00 C ATOM 257 OE1 GLU A 15 8.293 -2.506 -9.056 1.00 0.00 O ATOM 258 OE2 GLU A 15 9.001 -0.624 -9.930 1.00 0.00 O ATOM 0 H GLU A 15 7.371 1.577 -5.872 1.00 0.00 H new ATOM 0 HA GLU A 15 5.272 -0.490 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.245 -1.018 -6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.913 -2.064 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.307 -0.526 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.601 0.560 -8.256 1.00 0.00 H new ATOM 265 N ALA A 16 6.116 -1.769 -4.076 1.00 0.00 N ATOM 266 CA ALA A 16 6.310 -2.247 -2.717 1.00 0.00 C ATOM 267 C ALA A 16 5.978 -3.731 -2.636 1.00 0.00 C ATOM 268 O ALA A 16 5.049 -4.208 -3.284 1.00 0.00 O ATOM 269 CB ALA A 16 5.436 -1.457 -1.738 1.00 0.00 C ATOM 0 H ALA A 16 5.599 -2.412 -4.676 1.00 0.00 H new ATOM 0 HA ALA A 16 7.354 -2.100 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.595 -1.829 -0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.703 -0.401 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.387 -1.577 -2.008 1.00 0.00 H new ATOM 275 N ILE A 17 6.740 -4.452 -1.833 1.00 0.00 N ATOM 276 CA ILE A 17 6.526 -5.883 -1.660 1.00 0.00 C ATOM 277 C ILE A 17 6.764 -6.302 -0.221 1.00 0.00 C ATOM 278 O ILE A 17 7.756 -5.910 0.394 1.00 0.00 O ATOM 279 CB ILE A 17 7.449 -6.721 -2.558 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.848 -6.105 -2.619 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.857 -6.856 -3.952 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.816 -6.889 -3.479 1.00 0.00 C ATOM 0 H ILE A 17 7.514 -4.072 -1.288 1.00 0.00 H new ATOM 0 HA ILE A 17 5.489 -6.067 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 17 7.537 -7.718 -2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.772 -5.089 -3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.249 -6.033 -1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.524 -7.452 -4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.885 -7.346 -3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.737 -5.867 -4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.788 -6.395 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.921 -7.898 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.437 -6.939 -4.500 1.00 0.00 H new ATOM 294 N LYS A 18 5.853 -7.102 0.317 1.00 0.00 N ATOM 295 CA LYS A 18 5.978 -7.565 1.692 1.00 0.00 C ATOM 296 C LYS A 18 5.548 -9.021 1.825 1.00 0.00 C ATOM 297 O LYS A 18 4.488 -9.415 1.338 1.00 0.00 O ATOM 298 CB LYS A 18 5.142 -6.684 2.633 1.00 0.00 C ATOM 299 CG LYS A 18 4.781 -5.330 2.048 1.00 0.00 C ATOM 300 CD LYS A 18 5.898 -4.302 2.209 1.00 0.00 C ATOM 301 CE LYS A 18 6.471 -4.291 3.617 1.00 0.00 C ATOM 302 NZ LYS A 18 7.719 -5.096 3.715 1.00 0.00 N ATOM 0 H LYS A 18 5.026 -7.442 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 18 7.028 -7.491 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.225 -7.213 2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.695 -6.533 3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.550 -5.446 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.878 -4.958 2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.694 -4.519 1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.515 -3.311 1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.677 -3.264 3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.730 -4.684 4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.683 -5.689 4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.808 -5.703 2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.539 -4.459 3.770 1.00 0.00 H new ATOM 316 N GLU A 19 6.378 -9.815 2.495 1.00 0.00 N ATOM 317 CA GLU A 19 6.085 -11.227 2.700 1.00 0.00 C ATOM 318 C GLU A 19 5.627 -11.474 4.134 1.00 0.00 C ATOM 319 O GLU A 19 6.420 -11.400 5.072 1.00 0.00 O ATOM 320 CB GLU A 19 7.319 -12.070 2.390 1.00 0.00 C ATOM 321 CG GLU A 19 7.051 -13.189 1.399 1.00 0.00 C ATOM 322 CD GLU A 19 8.146 -13.326 0.353 1.00 0.00 C ATOM 323 OE1 GLU A 19 8.766 -12.297 0.013 1.00 0.00 O ATOM 324 OE2 GLU A 19 8.379 -14.448 -0.121 1.00 0.00 O ATOM 0 H GLU A 19 7.259 -9.503 2.905 1.00 0.00 H new ATOM 0 HA GLU A 19 5.280 -11.516 2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.102 -11.423 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.699 -12.499 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.952 -14.130 1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.099 -13.006 0.900 1.00 0.00 H new ATOM 331 N ALA A 20 4.339 -11.761 4.298 1.00 0.00 N ATOM 332 CA ALA A 20 3.780 -12.011 5.622 1.00 0.00 C ATOM 333 C ALA A 20 2.874 -13.232 5.619 1.00 0.00 C ATOM 334 O ALA A 20 2.528 -13.760 4.561 1.00 0.00 O ATOM 335 CB ALA A 20 3.012 -10.793 6.108 1.00 0.00 C ATOM 0 H ALA A 20 3.666 -11.826 3.534 1.00 0.00 H new ATOM 0 HA ALA A 20 4.609 -12.207 6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.600 -10.993 7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.684 -9.937 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.200 -10.574 5.414 1.00 0.00 H new ATOM 341 N VAL A 21 2.493 -13.680 6.810 1.00 0.00 N ATOM 342 CA VAL A 21 1.629 -14.848 6.949 1.00 0.00 C ATOM 343 C VAL A 21 0.190 -14.510 6.585 1.00 0.00 C ATOM 344 O VAL A 21 -0.558 -15.356 6.098 1.00 0.00 O ATOM 345 CB VAL A 21 1.669 -15.405 8.386 1.00 0.00 C ATOM 346 CG1 VAL A 21 1.162 -14.372 9.381 1.00 0.00 C ATOM 347 CG2 VAL A 21 0.863 -16.696 8.483 1.00 0.00 C ATOM 0 H VAL A 21 2.769 -13.252 7.694 1.00 0.00 H new ATOM 0 HA VAL A 21 2.005 -15.607 6.263 1.00 0.00 H new ATOM 0 HB VAL A 21 2.705 -15.631 8.636 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.200 -14.788 10.388 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.789 -13.482 9.332 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.134 -14.106 9.137 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.903 -17.074 9.505 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.174 -16.499 8.209 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.283 -17.439 7.805 1.00 0.00 H new ATOM 357 N ASP A 22 -0.195 -13.262 6.825 1.00 0.00 N ATOM 358 CA ASP A 22 -1.542 -12.805 6.525 1.00 0.00 C ATOM 359 C ASP A 22 -1.507 -11.686 5.485 1.00 0.00 C ATOM 360 O ASP A 22 -0.603 -11.629 4.653 1.00 0.00 O ATOM 361 CB ASP A 22 -2.228 -12.332 7.810 1.00 0.00 C ATOM 362 CG ASP A 22 -3.695 -12.713 7.855 1.00 0.00 C ATOM 363 OD1 ASP A 22 -4.000 -13.915 7.714 1.00 0.00 O ATOM 364 OD2 ASP A 22 -4.539 -11.808 8.031 1.00 0.00 O ATOM 0 H ASP A 22 0.411 -12.548 7.228 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.114 -13.634 6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.717 -12.762 8.671 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.134 -11.249 7.892 1.00 0.00 H new ATOM 369 N ALA A 23 -2.495 -10.799 5.535 1.00 0.00 N ATOM 370 CA ALA A 23 -2.575 -9.688 4.595 1.00 0.00 C ATOM 371 C ALA A 23 -2.560 -8.346 5.319 1.00 0.00 C ATOM 372 O ALA A 23 -2.039 -7.355 4.803 1.00 0.00 O ATOM 373 CB ALA A 23 -3.827 -9.812 3.739 1.00 0.00 C ATOM 0 H ALA A 23 -3.252 -10.828 6.218 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.697 -9.730 3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.875 -8.976 3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.796 -10.748 3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.709 -9.800 4.380 1.00 0.00 H new ATOM 379 N GLY A 24 -3.138 -8.317 6.516 1.00 0.00 N ATOM 380 CA GLY A 24 -3.183 -7.090 7.288 1.00 0.00 C ATOM 381 C GLY A 24 -1.810 -6.476 7.494 1.00 0.00 C ATOM 382 O GLY A 24 -1.673 -5.257 7.619 1.00 0.00 O ATOM 0 H GLY A 24 -3.576 -9.122 6.964 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.826 -6.370 6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.635 -7.293 8.259 1.00 0.00 H new ATOM 386 N ILE A 25 -0.790 -7.324 7.532 1.00 0.00 N ATOM 387 CA ILE A 25 0.579 -6.865 7.728 1.00 0.00 C ATOM 388 C ILE A 25 1.058 -6.023 6.546 1.00 0.00 C ATOM 389 O ILE A 25 1.676 -4.970 6.727 1.00 0.00 O ATOM 390 CB ILE A 25 1.544 -8.056 7.944 1.00 0.00 C ATOM 391 CG1 ILE A 25 1.326 -8.678 9.327 1.00 0.00 C ATOM 392 CG2 ILE A 25 2.996 -7.619 7.789 1.00 0.00 C ATOM 393 CD1 ILE A 25 1.454 -7.686 10.464 1.00 0.00 C ATOM 0 H ILE A 25 -0.885 -8.334 7.430 1.00 0.00 H new ATOM 0 HA ILE A 25 0.582 -6.243 8.623 1.00 0.00 H new ATOM 0 HB ILE A 25 1.329 -8.805 7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.335 -9.131 9.361 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.048 -9.481 9.473 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.652 -8.475 7.946 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.151 -7.222 6.786 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.224 -6.847 8.524 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.287 -8.196 11.413 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.453 -7.251 10.457 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.713 -6.896 10.342 1.00 0.00 H new ATOM 405 N ALA A 26 0.783 -6.490 5.332 1.00 0.00 N ATOM 406 CA ALA A 26 1.210 -5.765 4.146 1.00 0.00 C ATOM 407 C ALA A 26 0.496 -4.430 4.014 1.00 0.00 C ATOM 408 O ALA A 26 1.133 -3.416 3.745 1.00 0.00 O ATOM 409 CB ALA A 26 1.012 -6.588 2.887 1.00 0.00 C ATOM 0 H ALA A 26 0.274 -7.354 5.147 1.00 0.00 H new ATOM 0 HA ALA A 26 2.276 -5.571 4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.342 -6.014 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.595 -7.506 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.044 -6.836 2.777 1.00 0.00 H new ATOM 415 N GLU A 27 -0.823 -4.415 4.206 1.00 0.00 N ATOM 416 CA GLU A 27 -1.564 -3.157 4.097 1.00 0.00 C ATOM 417 C GLU A 27 -0.946 -2.115 5.017 1.00 0.00 C ATOM 418 O GLU A 27 -0.956 -0.923 4.713 1.00 0.00 O ATOM 419 CB GLU A 27 -3.052 -3.323 4.421 1.00 0.00 C ATOM 420 CG GLU A 27 -3.307 -3.909 5.789 1.00 0.00 C ATOM 421 CD GLU A 27 -4.754 -4.314 5.989 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.283 -5.063 5.141 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.358 -3.882 6.993 1.00 0.00 O ATOM 0 H GLU A 27 -1.388 -5.234 4.431 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.495 -2.828 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.541 -2.351 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.511 -3.964 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.667 -4.779 5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.029 -3.180 6.550 1.00 0.00 H new ATOM 430 N LYS A 28 -0.387 -2.576 6.138 1.00 0.00 N ATOM 431 CA LYS A 28 0.259 -1.677 7.087 1.00 0.00 C ATOM 432 C LYS A 28 1.478 -1.027 6.446 1.00 0.00 C ATOM 433 O LYS A 28 1.687 0.177 6.570 1.00 0.00 O ATOM 434 CB LYS A 28 0.681 -2.428 8.350 1.00 0.00 C ATOM 435 CG LYS A 28 -0.485 -2.849 9.222 1.00 0.00 C ATOM 436 CD LYS A 28 -0.088 -2.919 10.688 1.00 0.00 C ATOM 437 CE LYS A 28 0.718 -4.173 10.985 1.00 0.00 C ATOM 438 NZ LYS A 28 1.830 -3.907 11.938 1.00 0.00 N ATOM 0 H LYS A 28 -0.370 -3.560 6.407 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.459 -0.905 7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.249 -3.314 8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.350 -1.795 8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.306 -2.142 9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.851 -3.823 8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.497 -2.038 10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.983 -2.904 11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.060 -4.937 11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.124 -4.572 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.355 -4.788 12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.472 -3.196 11.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.441 -3.551 12.834 1.00 0.00 H new ATOM 452 N TYR A 29 2.279 -1.836 5.758 1.00 0.00 N ATOM 453 CA TYR A 29 3.480 -1.331 5.091 1.00 0.00 C ATOM 454 C TYR A 29 3.142 -0.672 3.787 1.00 0.00 C ATOM 455 O TYR A 29 3.742 0.327 3.389 1.00 0.00 O ATOM 456 CB TYR A 29 4.461 -2.452 4.811 1.00 0.00 C ATOM 457 CG TYR A 29 5.454 -2.582 5.935 1.00 0.00 C ATOM 458 CD1 TYR A 29 6.087 -1.441 6.399 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.749 -3.794 6.544 1.00 0.00 C ATOM 460 CE1 TYR A 29 6.982 -1.487 7.427 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.658 -3.855 7.586 1.00 0.00 C ATOM 462 CZ TYR A 29 7.274 -2.697 8.026 1.00 0.00 C ATOM 463 OH TYR A 29 8.172 -2.752 9.063 1.00 0.00 O ATOM 0 H TYR A 29 2.122 -2.838 5.647 1.00 0.00 H new ATOM 0 HA TYR A 29 3.930 -0.603 5.766 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.922 -3.391 4.685 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.986 -2.258 3.876 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.866 -0.491 5.935 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.265 -4.697 6.202 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.460 -0.582 7.771 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.885 -4.802 8.053 1.00 0.00 H new ATOM 0 HH TYR A 29 8.261 -3.678 9.370 1.00 0.00 H new ATOM 473 N PHE A 30 2.167 -1.241 3.140 1.00 0.00 N ATOM 474 CA PHE A 30 1.699 -0.746 1.886 1.00 0.00 C ATOM 475 C PHE A 30 1.108 0.624 2.121 1.00 0.00 C ATOM 476 O PHE A 30 1.243 1.530 1.302 1.00 0.00 O ATOM 477 CB PHE A 30 0.679 -1.733 1.327 1.00 0.00 C ATOM 478 CG PHE A 30 1.294 -3.002 0.783 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.639 -3.086 0.471 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.500 -4.089 0.535 1.00 0.00 C ATOM 481 CE1 PHE A 30 3.171 -4.235 -0.076 1.00 0.00 C ATOM 482 CE2 PHE A 30 1.015 -5.242 -0.024 1.00 0.00 C ATOM 483 CZ PHE A 30 2.357 -5.312 -0.333 1.00 0.00 C ATOM 0 H PHE A 30 1.673 -2.068 3.474 1.00 0.00 H new ATOM 0 HA PHE A 30 2.501 -0.651 1.154 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.031 -1.992 2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.112 -1.246 0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.282 -2.239 0.659 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.551 -4.044 0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.226 -4.288 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.369 -6.086 -0.218 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.766 -6.209 -0.775 1.00 0.00 H new ATOM 493 N LYS A 31 0.501 0.774 3.296 1.00 0.00 N ATOM 494 CA LYS A 31 -0.060 2.040 3.709 1.00 0.00 C ATOM 495 C LYS A 31 1.015 2.833 4.448 1.00 0.00 C ATOM 496 O LYS A 31 0.939 4.058 4.541 1.00 0.00 O ATOM 497 CB LYS A 31 -1.299 1.837 4.594 1.00 0.00 C ATOM 498 CG LYS A 31 -0.984 1.515 6.054 1.00 0.00 C ATOM 499 CD LYS A 31 -2.252 1.264 6.854 1.00 0.00 C ATOM 500 CE LYS A 31 -2.942 -0.021 6.424 1.00 0.00 C ATOM 501 NZ LYS A 31 -4.265 -0.191 7.086 1.00 0.00 N ATOM 0 H LYS A 31 0.389 0.023 3.977 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.385 2.595 2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.909 2.739 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.900 1.029 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.341 0.636 6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.429 2.341 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.008 1.209 7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.935 2.104 6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.076 -0.017 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.305 -0.872 6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.702 -1.079 6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.136 -0.221 8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.883 0.608 6.838 1.00 0.00 H new ATOM 515 N LEU A 32 2.033 2.123 4.961 1.00 0.00 N ATOM 516 CA LEU A 32 3.124 2.792 5.669 1.00 0.00 C ATOM 517 C LEU A 32 3.879 3.710 4.713 1.00 0.00 C ATOM 518 O LEU A 32 4.147 4.870 5.034 1.00 0.00 O ATOM 519 CB LEU A 32 4.086 1.794 6.333 1.00 0.00 C ATOM 520 CG LEU A 32 5.202 2.446 7.152 1.00 0.00 C ATOM 521 CD1 LEU A 32 4.614 3.443 8.138 1.00 0.00 C ATOM 522 CD2 LEU A 32 6.021 1.390 7.873 1.00 0.00 C ATOM 0 H LEU A 32 2.119 1.109 4.899 1.00 0.00 H new ATOM 0 HA LEU A 32 2.682 3.387 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.513 1.132 6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.535 1.171 5.560 1.00 0.00 H new ATOM 0 HG LEU A 32 5.866 2.983 6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.417 3.901 8.715 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.072 4.216 7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.931 2.928 8.813 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.810 1.873 8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.375 0.824 8.544 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.467 0.714 7.143 1.00 0.00 H new ATOM 534 N ILE A 33 4.201 3.197 3.527 1.00 0.00 N ATOM 535 CA ILE A 33 4.902 3.984 2.527 1.00 0.00 C ATOM 536 C ILE A 33 3.919 4.780 1.671 1.00 0.00 C ATOM 537 O ILE A 33 4.199 5.915 1.289 1.00 0.00 O ATOM 538 CB ILE A 33 5.777 3.101 1.614 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.576 3.967 0.633 1.00 0.00 C ATOM 540 CG2 ILE A 33 4.917 2.096 0.860 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.155 5.220 1.261 1.00 0.00 C ATOM 0 H ILE A 33 3.986 2.242 3.240 1.00 0.00 H new ATOM 0 HA ILE A 33 5.552 4.673 3.066 1.00 0.00 H new ATOM 0 HB ILE A 33 6.481 2.551 2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.388 3.372 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.929 4.252 -0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.551 1.482 0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.393 1.458 1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.190 2.628 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.707 5.783 0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.347 5.836 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.828 4.943 2.072 1.00 0.00 H new ATOM 553 N ALA A 34 2.760 4.186 1.377 1.00 0.00 N ATOM 554 CA ALA A 34 1.750 4.865 0.577 1.00 0.00 C ATOM 555 C ALA A 34 1.299 6.141 1.272 1.00 0.00 C ATOM 556 O ALA A 34 0.961 7.130 0.622 1.00 0.00 O ATOM 557 CB ALA A 34 0.564 3.946 0.325 1.00 0.00 C ATOM 0 H ALA A 34 2.503 3.246 1.679 1.00 0.00 H new ATOM 0 HA ALA A 34 2.188 5.130 -0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.181 4.469 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.900 3.057 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.123 3.652 1.277 1.00 0.00 H new ATOM 563 N ASN A 35 1.316 6.114 2.602 1.00 0.00 N ATOM 564 CA ASN A 35 0.930 7.272 3.396 1.00 0.00 C ATOM 565 C ASN A 35 2.113 8.221 3.541 1.00 0.00 C ATOM 566 O ASN A 35 1.943 9.438 3.619 1.00 0.00 O ATOM 567 CB ASN A 35 0.434 6.834 4.775 1.00 0.00 C ATOM 568 CG ASN A 35 -0.024 8.004 5.624 1.00 0.00 C ATOM 569 OD1 ASN A 35 0.768 8.608 6.349 1.00 0.00 O ATOM 570 ND2 ASN A 35 -1.307 8.331 5.538 1.00 0.00 N ATOM 0 H ASN A 35 1.594 5.301 3.151 1.00 0.00 H new ATOM 0 HA ASN A 35 0.119 7.791 2.885 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.390 6.131 4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.232 6.303 5.293 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.673 9.110 6.085 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.928 7.803 4.924 1.00 0.00 H new ATOM 577 N ALA A 36 3.315 7.652 3.566 1.00 0.00 N ATOM 578 CA ALA A 36 4.533 8.442 3.689 1.00 0.00 C ATOM 579 C ALA A 36 4.839 9.165 2.382 1.00 0.00 C ATOM 580 O ALA A 36 4.939 10.391 2.348 1.00 0.00 O ATOM 581 CB ALA A 36 5.700 7.555 4.092 1.00 0.00 C ATOM 0 H ALA A 36 3.470 6.646 3.503 1.00 0.00 H new ATOM 0 HA ALA A 36 4.381 9.191 4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.603 8.159 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.484 7.083 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.851 6.786 3.335 1.00 0.00 H new ATOM 587 N LYS A 37 4.986 8.397 1.305 1.00 0.00 N ATOM 588 CA LYS A 37 5.280 8.972 -0.007 1.00 0.00 C ATOM 589 C LYS A 37 4.233 10.015 -0.392 1.00 0.00 C ATOM 590 O LYS A 37 4.563 11.164 -0.684 1.00 0.00 O ATOM 591 CB LYS A 37 5.342 7.887 -1.091 1.00 0.00 C ATOM 592 CG LYS A 37 6.611 7.050 -1.042 1.00 0.00 C ATOM 593 CD LYS A 37 7.500 7.309 -2.248 1.00 0.00 C ATOM 594 CE LYS A 37 8.697 6.372 -2.270 1.00 0.00 C ATOM 595 NZ LYS A 37 9.930 7.057 -2.747 1.00 0.00 N ATOM 0 H LYS A 37 4.907 7.380 1.313 1.00 0.00 H new ATOM 0 HA LYS A 37 6.256 9.453 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.479 7.230 -0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.265 8.359 -2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.161 7.276 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.349 5.993 -1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.920 7.182 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.846 8.342 -2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.866 5.976 -1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.481 5.522 -2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.723 6.384 -2.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.778 7.413 -3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.152 7.853 -2.115 1.00 0.00 H new ATOM 609 N THR A 38 2.968 9.601 -0.389 1.00 0.00 N ATOM 610 CA THR A 38 1.866 10.492 -0.737 1.00 0.00 C ATOM 611 C THR A 38 0.604 10.120 0.044 1.00 0.00 C ATOM 612 O THR A 38 0.687 9.516 1.113 1.00 0.00 O ATOM 613 CB THR A 38 1.598 10.433 -2.243 1.00 0.00 C ATOM 614 OG1 THR A 38 2.733 9.949 -2.938 1.00 0.00 O ATOM 615 CG2 THR A 38 1.235 11.778 -2.838 1.00 0.00 C ATOM 0 H THR A 38 2.681 8.652 -0.149 1.00 0.00 H new ATOM 0 HA THR A 38 2.145 11.511 -0.469 1.00 0.00 H new ATOM 0 HB THR A 38 0.749 9.759 -2.359 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.463 9.227 -3.543 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.058 11.667 -3.908 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.333 12.157 -2.358 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.053 12.480 -2.677 1.00 0.00 H new ATOM 623 N VAL A 39 -0.562 10.480 -0.489 1.00 0.00 N ATOM 624 CA VAL A 39 -1.826 10.174 0.172 1.00 0.00 C ATOM 625 C VAL A 39 -3.009 10.382 -0.787 1.00 0.00 C ATOM 626 O VAL A 39 -2.811 10.752 -1.944 1.00 0.00 O ATOM 627 CB VAL A 39 -2.008 11.037 1.443 1.00 0.00 C ATOM 628 CG1 VAL A 39 -2.519 12.430 1.099 1.00 0.00 C ATOM 629 CG2 VAL A 39 -2.934 10.350 2.436 1.00 0.00 C ATOM 0 H VAL A 39 -0.656 10.981 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.802 9.125 0.469 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.030 11.149 1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.636 13.011 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.805 12.927 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.482 12.350 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.047 10.976 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.910 10.194 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.510 9.388 2.723 1.00 0.00 H new ATOM 639 N GLU A 40 -4.234 10.146 -0.307 1.00 0.00 N ATOM 640 CA GLU A 40 -5.425 10.313 -1.137 1.00 0.00 C ATOM 641 C GLU A 40 -5.412 9.346 -2.318 1.00 0.00 C ATOM 642 O GLU A 40 -4.444 9.284 -3.074 1.00 0.00 O ATOM 643 CB GLU A 40 -5.526 11.751 -1.647 1.00 0.00 C ATOM 644 CG GLU A 40 -5.173 12.797 -0.601 1.00 0.00 C ATOM 645 CD GLU A 40 -5.998 14.061 -0.739 1.00 0.00 C ATOM 646 OE1 GLU A 40 -6.317 14.440 -1.886 1.00 0.00 O ATOM 647 OE2 GLU A 40 -6.325 14.673 0.300 1.00 0.00 O ATOM 0 H GLU A 40 -4.424 9.840 0.647 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.295 10.092 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.864 11.870 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.541 11.931 -2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.323 12.376 0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.115 13.047 -0.685 1.00 0.00 H new ATOM 654 N GLY A 41 -6.497 8.593 -2.469 1.00 0.00 N ATOM 655 CA GLY A 41 -6.591 7.636 -3.562 1.00 0.00 C ATOM 656 C GLY A 41 -7.463 6.444 -3.218 1.00 0.00 C ATOM 657 O GLY A 41 -7.676 6.143 -2.044 1.00 0.00 O ATOM 0 H GLY A 41 -7.312 8.626 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.994 8.135 -4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.592 7.288 -3.822 1.00 0.00 H new ATOM 661 N VAL A 42 -7.964 5.759 -4.243 1.00 0.00 N ATOM 662 CA VAL A 42 -8.810 4.591 -4.033 1.00 0.00 C ATOM 663 C VAL A 42 -7.965 3.371 -3.684 1.00 0.00 C ATOM 664 O VAL A 42 -7.306 2.788 -4.546 1.00 0.00 O ATOM 665 CB VAL A 42 -9.676 4.276 -5.270 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.863 5.224 -5.344 1.00 0.00 C ATOM 667 CG2 VAL A 42 -8.848 4.350 -6.543 1.00 0.00 C ATOM 0 H VAL A 42 -7.799 5.992 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.475 4.826 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.054 3.258 -5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.463 4.988 -6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.473 5.114 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.505 6.251 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.480 4.124 -7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.435 5.353 -6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.035 3.626 -6.491 1.00 0.00 H new ATOM 677 N TRP A 43 -7.981 3.004 -2.410 1.00 0.00 N ATOM 678 CA TRP A 43 -7.221 1.877 -1.916 1.00 0.00 C ATOM 679 C TRP A 43 -7.921 0.558 -2.238 1.00 0.00 C ATOM 680 O TRP A 43 -9.101 0.383 -1.937 1.00 0.00 O ATOM 681 CB TRP A 43 -7.061 2.045 -0.411 1.00 0.00 C ATOM 682 CG TRP A 43 -5.728 2.600 0.005 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.384 3.924 0.074 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.560 1.864 0.411 1.00 0.00 C ATOM 685 NE1 TRP A 43 -4.085 4.055 0.494 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.560 2.811 0.709 1.00 0.00 C ATOM 687 CE3 TRP A 43 -4.253 0.504 0.557 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -2.290 2.441 1.139 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -2.988 0.154 0.985 1.00 0.00 C ATOM 690 CH2 TRP A 43 -2.028 1.116 1.270 1.00 0.00 C ATOM 0 H TRP A 43 -8.524 3.484 -1.693 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.245 1.848 -2.400 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.848 2.704 -0.044 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.206 1.077 0.069 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.041 4.746 -0.168 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.591 4.938 0.625 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.991 -0.254 0.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.538 3.183 1.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.740 -0.891 1.101 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.050 0.802 1.604 1.00 0.00 H new ATOM 701 N THR A 44 -7.188 -0.366 -2.855 1.00 0.00 N ATOM 702 CA THR A 44 -7.746 -1.666 -3.217 1.00 0.00 C ATOM 703 C THR A 44 -6.688 -2.763 -3.130 1.00 0.00 C ATOM 704 O THR A 44 -5.491 -2.495 -3.242 1.00 0.00 O ATOM 705 CB THR A 44 -8.329 -1.617 -4.630 1.00 0.00 C ATOM 706 OG1 THR A 44 -7.498 -0.856 -5.489 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.717 -1.019 -4.685 1.00 0.00 C ATOM 0 H THR A 44 -6.210 -0.239 -3.114 1.00 0.00 H new ATOM 0 HA THR A 44 -8.541 -1.899 -2.508 1.00 0.00 H new ATOM 0 HB THR A 44 -8.387 -2.656 -4.955 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.624 -0.725 -5.067 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.071 -1.015 -5.716 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.394 -1.614 -4.072 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.688 0.003 -4.307 1.00 0.00 H new ATOM 715 N TYR A 45 -7.137 -3.999 -2.933 1.00 0.00 N ATOM 716 CA TYR A 45 -6.227 -5.140 -2.836 1.00 0.00 C ATOM 717 C TYR A 45 -6.782 -6.347 -3.590 1.00 0.00 C ATOM 718 O TYR A 45 -7.988 -6.598 -3.583 1.00 0.00 O ATOM 719 CB TYR A 45 -5.959 -5.500 -1.365 1.00 0.00 C ATOM 720 CG TYR A 45 -5.452 -6.911 -1.153 1.00 0.00 C ATOM 721 CD1 TYR A 45 -4.170 -7.275 -1.544 1.00 0.00 C ATOM 722 CD2 TYR A 45 -6.256 -7.878 -0.562 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.703 -8.561 -1.352 1.00 0.00 C ATOM 724 CE2 TYR A 45 -5.796 -9.166 -0.366 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.520 -9.502 -0.763 1.00 0.00 C ATOM 726 OH TYR A 45 -4.058 -10.784 -0.570 1.00 0.00 O ATOM 0 H TYR A 45 -8.124 -4.238 -2.837 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.282 -4.855 -3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.230 -4.799 -0.958 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.880 -5.368 -0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.527 -6.540 -2.006 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.257 -7.618 -0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.703 -8.828 -1.662 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.433 -9.906 0.096 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.262 -10.762 0.001 1.00 0.00 H new ATOM 736 N LYS A 46 -5.889 -7.095 -4.232 1.00 0.00 N ATOM 737 CA LYS A 46 -6.280 -8.281 -4.985 1.00 0.00 C ATOM 738 C LYS A 46 -5.906 -9.549 -4.224 1.00 0.00 C ATOM 739 O LYS A 46 -4.810 -9.653 -3.675 1.00 0.00 O ATOM 740 CB LYS A 46 -5.612 -8.285 -6.362 1.00 0.00 C ATOM 741 CG LYS A 46 -5.671 -6.942 -7.072 1.00 0.00 C ATOM 742 CD LYS A 46 -4.612 -6.838 -8.158 1.00 0.00 C ATOM 743 CE LYS A 46 -3.826 -5.541 -8.050 1.00 0.00 C ATOM 744 NZ LYS A 46 -2.885 -5.364 -9.191 1.00 0.00 N ATOM 0 H LYS A 46 -4.888 -6.900 -4.245 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.362 -8.258 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.569 -8.581 -6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.092 -9.038 -6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.659 -6.805 -7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.530 -6.140 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.930 -7.685 -8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.087 -6.896 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.518 -4.699 -8.016 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.267 -5.532 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.369 -4.468 -9.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.208 -6.154 -9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.420 -5.347 -10.083 1.00 0.00 H new ATOM 758 N ASP A 47 -6.824 -10.510 -4.194 1.00 0.00 N ATOM 759 CA ASP A 47 -6.586 -11.771 -3.497 1.00 0.00 C ATOM 760 C ASP A 47 -6.071 -12.837 -4.457 1.00 0.00 C ATOM 761 O ASP A 47 -5.351 -13.744 -4.055 1.00 0.00 O ATOM 762 CB ASP A 47 -7.871 -12.255 -2.824 1.00 0.00 C ATOM 763 CG ASP A 47 -7.657 -13.516 -2.008 1.00 0.00 C ATOM 764 OD1 ASP A 47 -6.711 -13.541 -1.193 1.00 0.00 O ATOM 765 OD2 ASP A 47 -8.435 -14.477 -2.186 1.00 0.00 O ATOM 0 H ASP A 47 -7.737 -10.441 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.826 -11.597 -2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.258 -11.468 -2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.628 -12.442 -3.585 1.00 0.00 H new ATOM 770 N GLU A 48 -6.451 -12.718 -5.725 1.00 0.00 N ATOM 771 CA GLU A 48 -6.036 -13.671 -6.746 1.00 0.00 C ATOM 772 C GLU A 48 -4.519 -13.847 -6.754 1.00 0.00 C ATOM 773 O GLU A 48 -4.018 -14.942 -7.006 1.00 0.00 O ATOM 774 CB GLU A 48 -6.513 -13.209 -8.125 1.00 0.00 C ATOM 775 CG GLU A 48 -6.300 -14.244 -9.216 1.00 0.00 C ATOM 776 CD GLU A 48 -5.908 -13.622 -10.543 1.00 0.00 C ATOM 777 OE1 GLU A 48 -5.216 -12.587 -10.530 1.00 0.00 O ATOM 778 OE2 GLU A 48 -6.294 -14.174 -11.594 1.00 0.00 O ATOM 0 H GLU A 48 -7.049 -11.967 -6.070 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.490 -14.633 -6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.573 -12.963 -8.071 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.987 -12.294 -8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.523 -14.942 -8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.215 -14.822 -9.346 1.00 0.00 H new ATOM 785 N ILE A 49 -3.793 -12.771 -6.480 1.00 0.00 N ATOM 786 CA ILE A 49 -2.337 -12.812 -6.460 1.00 0.00 C ATOM 787 C ILE A 49 -1.758 -12.004 -5.303 1.00 0.00 C ATOM 788 O ILE A 49 -0.562 -11.714 -5.277 1.00 0.00 O ATOM 789 CB ILE A 49 -1.737 -12.294 -7.783 1.00 0.00 C ATOM 790 CG1 ILE A 49 -2.127 -10.838 -8.016 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.183 -13.164 -8.951 1.00 0.00 C ATOM 792 CD1 ILE A 49 -3.599 -10.638 -8.313 1.00 0.00 C ATOM 0 H ILE A 49 -4.191 -11.856 -6.268 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.066 -13.860 -6.328 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.651 -12.349 -7.711 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.862 -10.255 -7.134 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.542 -10.444 -8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.749 -12.782 -9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.849 -14.189 -8.790 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.270 -13.144 -9.025 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.798 -9.577 -8.467 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.867 -11.192 -9.213 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.192 -11.001 -7.473 1.00 0.00 H new ATOM 804 N LYS A 50 -2.607 -11.647 -4.344 1.00 0.00 N ATOM 805 CA LYS A 50 -2.168 -10.871 -3.187 1.00 0.00 C ATOM 806 C LYS A 50 -1.382 -9.635 -3.618 1.00 0.00 C ATOM 807 O LYS A 50 -0.150 -9.629 -3.591 1.00 0.00 O ATOM 808 CB LYS A 50 -1.311 -11.739 -2.265 1.00 0.00 C ATOM 809 CG LYS A 50 -1.979 -13.042 -1.864 1.00 0.00 C ATOM 810 CD LYS A 50 -1.572 -14.182 -2.787 1.00 0.00 C ATOM 811 CE LYS A 50 -2.121 -15.510 -2.300 1.00 0.00 C ATOM 812 NZ LYS A 50 -3.385 -15.880 -2.994 1.00 0.00 N ATOM 0 H LYS A 50 -3.600 -11.881 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.055 -10.540 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.368 -11.962 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.070 -11.172 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.710 -13.290 -0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.062 -12.920 -1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.936 -13.984 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.485 -14.235 -2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.377 -16.290 -2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.300 -15.456 -1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.977 -16.449 -2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.898 -15.017 -3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.164 -16.433 -3.847 1.00 0.00 H new ATOM 826 N THR A 51 -2.099 -8.589 -4.019 1.00 0.00 N ATOM 827 CA THR A 51 -1.459 -7.356 -4.458 1.00 0.00 C ATOM 828 C THR A 51 -2.311 -6.137 -4.128 1.00 0.00 C ATOM 829 O THR A 51 -3.484 -6.064 -4.496 1.00 0.00 O ATOM 830 CB THR A 51 -1.188 -7.410 -5.963 1.00 0.00 C ATOM 831 OG1 THR A 51 -0.377 -8.527 -6.287 1.00 0.00 O ATOM 832 CG2 THR A 51 -0.497 -6.174 -6.497 1.00 0.00 C ATOM 0 H THR A 51 -3.118 -8.572 -4.049 1.00 0.00 H new ATOM 0 HA THR A 51 -0.514 -7.262 -3.922 1.00 0.00 H new ATOM 0 HB THR A 51 -2.171 -7.484 -6.427 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.216 -8.545 -7.254 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.337 -6.282 -7.570 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.120 -5.299 -6.309 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.464 -6.050 -5.997 1.00 0.00 H new ATOM 840 N PHE A 52 -1.705 -5.175 -3.438 1.00 0.00 N ATOM 841 CA PHE A 52 -2.396 -3.948 -3.061 1.00 0.00 C ATOM 842 C PHE A 52 -2.153 -2.866 -4.106 1.00 0.00 C ATOM 843 O PHE A 52 -1.065 -2.763 -4.670 1.00 0.00 O ATOM 844 CB PHE A 52 -1.921 -3.479 -1.685 1.00 0.00 C ATOM 845 CG PHE A 52 -2.878 -3.791 -0.572 1.00 0.00 C ATOM 846 CD1 PHE A 52 -2.923 -5.060 -0.017 1.00 0.00 C ATOM 847 CD2 PHE A 52 -3.727 -2.816 -0.078 1.00 0.00 C ATOM 848 CE1 PHE A 52 -3.802 -5.350 1.010 1.00 0.00 C ATOM 849 CE2 PHE A 52 -4.607 -3.098 0.949 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.645 -4.368 1.494 1.00 0.00 C ATOM 0 H PHE A 52 -0.734 -5.223 -3.128 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.467 -4.147 -3.010 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.960 -3.944 -1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.754 -2.402 -1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.265 -5.830 -0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.701 -1.822 -0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.830 -6.343 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.264 -2.328 1.325 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.332 -4.592 2.296 1.00 0.00 H new ATOM 860 N THR A 53 -3.178 -2.074 -4.372 1.00 0.00 N ATOM 861 CA THR A 53 -3.077 -1.007 -5.366 1.00 0.00 C ATOM 862 C THR A 53 -3.869 0.234 -4.959 1.00 0.00 C ATOM 863 O THR A 53 -5.001 0.133 -4.486 1.00 0.00 O ATOM 864 CB THR A 53 -3.562 -1.507 -6.727 1.00 0.00 C ATOM 865 OG1 THR A 53 -3.048 -2.798 -7.000 1.00 0.00 O ATOM 866 CG2 THR A 53 -3.168 -0.601 -7.873 1.00 0.00 C ATOM 0 H THR A 53 -4.089 -2.145 -3.918 1.00 0.00 H new ATOM 0 HA THR A 53 -2.027 -0.723 -5.431 1.00 0.00 H new ATOM 0 HB THR A 53 -4.650 -1.523 -6.658 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.793 -2.856 -7.944 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.543 -1.014 -8.809 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.595 0.390 -7.717 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.082 -0.525 -7.920 1.00 0.00 H new ATOM 874 N VAL A 54 -3.277 1.407 -5.178 1.00 0.00 N ATOM 875 CA VAL A 54 -3.941 2.669 -4.865 1.00 0.00 C ATOM 876 C VAL A 54 -4.013 3.560 -6.105 1.00 0.00 C ATOM 877 O VAL A 54 -2.993 3.845 -6.734 1.00 0.00 O ATOM 878 CB VAL A 54 -3.249 3.425 -3.693 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.533 4.691 -4.175 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.280 3.781 -2.628 1.00 0.00 C ATOM 0 H VAL A 54 -2.341 1.509 -5.570 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.953 2.427 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.495 2.763 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.063 5.189 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.770 4.422 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.255 5.364 -4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.791 4.310 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.048 4.419 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.739 2.869 -2.247 1.00 0.00 H new ATOM 890 N THR A 55 -5.219 3.996 -6.455 1.00 0.00 N ATOM 891 CA THR A 55 -5.409 4.852 -7.620 1.00 0.00 C ATOM 892 C THR A 55 -5.748 6.278 -7.201 1.00 0.00 C ATOM 893 O THR A 55 -6.510 6.494 -6.259 1.00 0.00 O ATOM 894 CB THR A 55 -6.511 4.293 -8.525 1.00 0.00 C ATOM 895 OG1 THR A 55 -6.861 2.976 -8.138 1.00 0.00 O ATOM 896 CG2 THR A 55 -6.118 4.251 -9.986 1.00 0.00 C ATOM 0 H THR A 55 -6.076 3.771 -5.950 1.00 0.00 H new ATOM 0 HA THR A 55 -4.472 4.871 -8.177 1.00 0.00 H new ATOM 0 HB THR A 55 -7.353 4.975 -8.408 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.567 2.639 -8.728 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.942 3.845 -10.573 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.889 5.260 -10.330 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.239 3.618 -10.108 1.00 0.00 H new ATOM 904 N GLU A 56 -5.171 7.248 -7.907 1.00 0.00 N ATOM 905 CA GLU A 56 -5.402 8.663 -7.616 1.00 0.00 C ATOM 906 C GLU A 56 -5.287 8.947 -6.119 1.00 0.00 C ATOM 907 O GLU A 56 -4.466 8.283 -5.453 1.00 0.00 O ATOM 908 CB GLU A 56 -6.774 9.101 -8.139 1.00 0.00 C ATOM 909 CG GLU A 56 -7.948 8.513 -7.370 1.00 0.00 C ATOM 910 CD GLU A 56 -9.185 9.386 -7.444 1.00 0.00 C ATOM 911 OE1 GLU A 56 -9.325 10.138 -8.432 1.00 0.00 O ATOM 912 OE2 GLU A 56 -10.016 9.319 -6.513 1.00 0.00 O ATOM 913 OXT GLU A 56 -6.019 9.832 -5.628 1.00 0.00 O ATOM 0 H GLU A 56 -4.537 7.080 -8.688 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.631 9.240 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.836 10.189 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.860 8.815 -9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.180 7.525 -7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.664 8.378 -6.326 1.00 0.00 H new TER 920 GLU A 56