USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 676 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 79 THR OG1 : rot 151:sc= 0.271 USER MOD Set 1.2: A 84 HIS : no HD1:sc= -8.49! C(o=-8.2!,f=-11!) USER MOD Set 2.1: A 68 CYS SG : rot -150:sc= 0.477 USER MOD Set 2.2: A 74 THR OG1 : rot -115:sc= -4.14! USER MOD Set 3.1: A 40 CYS SG : rot -102:sc= 0.02 USER MOD Set 3.2: A 42 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 3 THR OG1 : rot -41:sc= -0.267 USER MOD Single : A 8 HIS : no HE2:sc= -10.2! C(o=-10!,f=-15!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.32) USER MOD Single : A 23 GLN : amide:sc= -0.0691 X(o=-0.069,f=-0.075) USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= -1.99 (180deg=-2.01) USER MOD Single : A 26 ASN : amide:sc= -0.0633 K(o=-0.063,f=-2.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -112:sc=-0.00797 (180deg=-0.222) USER MOD Single : A 36 LYS NZ :NH3+ -115:sc= -0.011 (180deg=-0.291) USER MOD Single : A 37 HIS : no HD1:sc= -0.499 K(o=-0.5,f=-2.5!) USER MOD Single : A 38 SER OG : rot 45:sc= -2.62! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -102:sc= -0.905 (180deg=-2.44!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 3 -16.638 -4.341 1.843 1.00 0.00 N ATOM 36 CA THR A 3 -15.528 -3.446 2.281 1.00 0.00 C ATOM 37 C THR A 3 -14.250 -3.778 1.505 1.00 0.00 C ATOM 38 O THR A 3 -14.169 -4.780 0.824 1.00 0.00 O ATOM 39 CB THR A 3 -15.346 -3.741 3.772 1.00 0.00 C ATOM 40 OG1 THR A 3 -14.941 -5.093 3.938 1.00 0.00 O ATOM 41 CG2 THR A 3 -16.668 -3.509 4.505 1.00 0.00 C ATOM 0 HA THR A 3 -15.746 -2.394 2.100 1.00 0.00 H new ATOM 0 HB THR A 3 -14.584 -3.079 4.184 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.453 -5.665 3.329 1.00 0.00 H new ATOM 0 HG21 THR A 3 -16.537 -3.719 5.566 1.00 0.00 H new ATOM 0 HG22 THR A 3 -16.978 -2.472 4.376 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.432 -4.170 4.096 1.00 0.00 H new ATOM 49 N ALA A 4 -13.242 -2.958 1.624 1.00 0.00 N ATOM 50 CA ALA A 4 -11.962 -3.244 0.916 1.00 0.00 C ATOM 51 C ALA A 4 -10.865 -3.554 1.929 1.00 0.00 C ATOM 52 O ALA A 4 -10.595 -2.769 2.816 1.00 0.00 O ATOM 53 CB ALA A 4 -11.628 -1.960 0.156 1.00 0.00 C ATOM 0 H ALA A 4 -13.249 -2.103 2.180 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.044 -4.103 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.695 -2.094 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.431 -1.733 -0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.519 -1.137 0.862 1.00 0.00 H new ATOM 59 N ALA A 5 -10.175 -4.649 1.756 1.00 0.00 N ATOM 60 CA ALA A 5 -9.032 -4.961 2.661 1.00 0.00 C ATOM 61 C ALA A 5 -7.747 -4.395 2.061 1.00 0.00 C ATOM 62 O ALA A 5 -7.503 -4.526 0.880 1.00 0.00 O ATOM 63 CB ALA A 5 -8.971 -6.488 2.718 1.00 0.00 C ATOM 0 H ALA A 5 -10.353 -5.340 1.028 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.150 -4.529 3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.151 -6.795 3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.911 -6.875 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.807 -6.883 1.715 1.00 0.00 H new ATOM 69 N ALA A 6 -7.027 -3.610 2.812 1.00 0.00 N ATOM 70 CA ALA A 6 -5.890 -2.868 2.197 1.00 0.00 C ATOM 71 C ALA A 6 -4.637 -2.936 3.073 1.00 0.00 C ATOM 72 O ALA A 6 -4.612 -2.428 4.176 1.00 0.00 O ATOM 73 CB ALA A 6 -6.386 -1.428 2.090 1.00 0.00 C ATOM 0 H ALA A 6 -7.172 -3.451 3.809 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.607 -3.290 1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.608 -0.807 1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.278 -1.396 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.627 -1.051 3.084 1.00 0.00 H new ATOM 79 N LEU A 7 -3.544 -3.367 2.503 1.00 0.00 N ATOM 80 CA LEU A 7 -2.235 -3.237 3.206 1.00 0.00 C ATOM 81 C LEU A 7 -1.457 -2.063 2.605 1.00 0.00 C ATOM 82 O LEU A 7 -1.482 -1.847 1.411 1.00 0.00 O ATOM 83 CB LEU A 7 -1.506 -4.555 2.946 1.00 0.00 C ATOM 84 CG LEU A 7 -2.332 -5.715 3.505 1.00 0.00 C ATOM 85 CD1 LEU A 7 -1.537 -7.017 3.371 1.00 0.00 C ATOM 86 CD2 LEU A 7 -2.646 -5.456 4.979 1.00 0.00 C ATOM 0 H LEU A 7 -3.501 -3.803 1.582 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.346 -3.048 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.348 -4.690 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.522 -4.537 3.414 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.264 -5.800 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.124 -7.845 3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.316 -7.202 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.604 -6.933 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.235 -6.283 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.715 -5.371 5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.212 -4.529 5.073 1.00 0.00 H new ATOM 98 N HIS A 8 -0.824 -1.262 3.418 1.00 0.00 N ATOM 99 CA HIS A 8 -0.124 -0.063 2.863 1.00 0.00 C ATOM 100 C HIS A 8 1.304 0.036 3.397 1.00 0.00 C ATOM 101 O HIS A 8 1.519 0.137 4.589 1.00 0.00 O ATOM 102 CB HIS A 8 -0.943 1.141 3.337 1.00 0.00 C ATOM 103 CG HIS A 8 -2.371 0.984 2.900 1.00 0.00 C ATOM 104 ND1 HIS A 8 -2.913 1.731 1.865 1.00 0.00 N ATOM 105 CD2 HIS A 8 -3.384 0.177 3.350 1.00 0.00 C ATOM 106 CE1 HIS A 8 -4.199 1.361 1.729 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.537 0.416 2.609 1.00 0.00 N ATOM 0 H HIS A 8 -0.760 -1.381 4.429 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.052 -0.115 1.777 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.892 1.224 4.423 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.526 2.061 2.927 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.425 2.433 1.308 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.300 -0.536 4.157 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.875 1.778 0.997 1.00 0.00 H new ATOM 115 N ILE A 9 2.253 0.232 2.525 1.00 0.00 N ATOM 116 CA ILE A 9 3.619 0.585 2.999 1.00 0.00 C ATOM 117 C ILE A 9 3.965 2.005 2.545 1.00 0.00 C ATOM 118 O ILE A 9 3.912 2.322 1.373 1.00 0.00 O ATOM 119 CB ILE A 9 4.560 -0.428 2.345 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.132 -1.849 2.720 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.987 -0.184 2.841 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.997 -2.855 1.956 1.00 0.00 C ATOM 0 H ILE A 9 2.143 0.164 1.513 1.00 0.00 H new ATOM 0 HA ILE A 9 3.699 0.555 4.086 1.00 0.00 H new ATOM 0 HB ILE A 9 4.519 -0.312 1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.238 -2.002 3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.080 -2.000 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.661 -0.904 2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.297 0.827 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.021 -0.301 3.924 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.695 -3.869 2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.868 -2.706 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.044 -2.708 2.219 1.00 0.00 H new ATOM 134 N LEU A 10 4.326 2.859 3.463 1.00 0.00 N ATOM 135 CA LEU A 10 4.688 4.257 3.090 1.00 0.00 C ATOM 136 C LEU A 10 6.209 4.379 2.981 1.00 0.00 C ATOM 137 O LEU A 10 6.911 4.400 3.973 1.00 0.00 O ATOM 138 CB LEU A 10 4.165 5.121 4.240 1.00 0.00 C ATOM 139 CG LEU A 10 3.769 6.504 3.712 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.576 7.462 4.889 1.00 0.00 C ATOM 141 CD2 LEU A 10 4.867 7.041 2.791 1.00 0.00 C ATOM 0 H LEU A 10 4.386 2.648 4.459 1.00 0.00 H new ATOM 0 HA LEU A 10 4.266 4.559 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.305 4.640 4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.931 5.221 5.009 1.00 0.00 H new ATOM 0 HG LEU A 10 2.838 6.422 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.294 8.446 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.789 7.083 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.507 7.540 5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.581 8.024 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.801 7.122 3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.002 6.360 1.951 1.00 0.00 H new ATOM 153 N VAL A 11 6.729 4.367 1.786 1.00 0.00 N ATOM 154 CA VAL A 11 8.216 4.381 1.627 1.00 0.00 C ATOM 155 C VAL A 11 8.793 5.721 2.093 1.00 0.00 C ATOM 156 O VAL A 11 9.724 5.761 2.871 1.00 0.00 O ATOM 157 CB VAL A 11 8.476 4.187 0.131 1.00 0.00 C ATOM 158 CG1 VAL A 11 9.934 3.780 -0.072 1.00 0.00 C ATOM 159 CG2 VAL A 11 7.567 3.086 -0.418 1.00 0.00 C ATOM 0 H VAL A 11 6.196 4.348 0.916 1.00 0.00 H new ATOM 0 HA VAL A 11 8.688 3.602 2.225 1.00 0.00 H new ATOM 0 HB VAL A 11 8.269 5.119 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.128 3.640 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.587 4.562 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.129 2.848 0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.758 2.954 -1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.770 2.152 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.524 3.367 -0.268 1.00 0.00 H new ATOM 169 N LYS A 12 8.248 6.810 1.603 1.00 0.00 N ATOM 170 CA LYS A 12 8.740 8.180 1.978 1.00 0.00 C ATOM 171 C LYS A 12 9.992 8.553 1.172 1.00 0.00 C ATOM 172 O LYS A 12 10.331 9.713 1.048 1.00 0.00 O ATOM 173 CB LYS A 12 9.049 8.140 3.479 1.00 0.00 C ATOM 174 CG LYS A 12 9.089 9.569 4.025 1.00 0.00 C ATOM 175 CD LYS A 12 9.397 9.537 5.523 1.00 0.00 C ATOM 176 CE LYS A 12 9.436 10.967 6.064 1.00 0.00 C ATOM 177 NZ LYS A 12 8.850 10.876 7.432 1.00 0.00 N ATOM 0 H LYS A 12 7.468 6.809 0.946 1.00 0.00 H new ATOM 0 HA LYS A 12 7.988 8.937 1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.290 7.559 4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.005 7.645 3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.848 10.149 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.133 10.063 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.638 8.958 6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.353 9.044 5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.456 11.350 6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.861 11.644 5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.842 11.819 7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.877 10.515 7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.422 10.230 8.012 1.00 0.00 H new ATOM 191 N GLU A 13 10.652 7.595 0.575 1.00 0.00 N ATOM 192 CA GLU A 13 11.836 7.925 -0.272 1.00 0.00 C ATOM 193 C GLU A 13 11.833 7.087 -1.549 1.00 0.00 C ATOM 194 O GLU A 13 11.644 5.887 -1.519 1.00 0.00 O ATOM 195 CB GLU A 13 13.053 7.585 0.585 1.00 0.00 C ATOM 196 CG GLU A 13 13.174 8.607 1.713 1.00 0.00 C ATOM 197 CD GLU A 13 14.294 8.186 2.666 1.00 0.00 C ATOM 198 OE1 GLU A 13 14.796 7.085 2.510 1.00 0.00 O ATOM 199 OE2 GLU A 13 14.632 8.972 3.536 1.00 0.00 O ATOM 0 H GLU A 13 10.424 6.603 0.637 1.00 0.00 H new ATOM 0 HA GLU A 13 11.834 8.970 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.953 6.581 0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.956 7.591 -0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.384 9.595 1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.231 8.681 2.254 1.00 0.00 H new ATOM 206 N GLU A 14 12.093 7.706 -2.664 1.00 0.00 N ATOM 207 CA GLU A 14 12.165 6.941 -3.941 1.00 0.00 C ATOM 208 C GLU A 14 13.262 5.874 -3.860 1.00 0.00 C ATOM 209 O GLU A 14 13.068 4.740 -4.249 1.00 0.00 O ATOM 210 CB GLU A 14 12.502 7.982 -5.009 1.00 0.00 C ATOM 211 CG GLU A 14 12.486 7.318 -6.388 1.00 0.00 C ATOM 212 CD GLU A 14 12.801 8.364 -7.460 1.00 0.00 C ATOM 213 OE1 GLU A 14 12.963 9.519 -7.103 1.00 0.00 O ATOM 214 OE2 GLU A 14 12.875 7.992 -8.619 1.00 0.00 O ATOM 0 H GLU A 14 12.259 8.709 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 14 11.234 6.419 -4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.780 8.798 -4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.483 8.416 -4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.219 6.512 -6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.510 6.870 -6.577 1.00 0.00 H new ATOM 221 N LYS A 15 14.416 6.231 -3.359 1.00 0.00 N ATOM 222 CA LYS A 15 15.524 5.234 -3.259 1.00 0.00 C ATOM 223 C LYS A 15 15.091 4.060 -2.382 1.00 0.00 C ATOM 224 O LYS A 15 15.380 2.915 -2.669 1.00 0.00 O ATOM 225 CB LYS A 15 16.682 5.983 -2.600 1.00 0.00 C ATOM 226 CG LYS A 15 17.138 7.132 -3.500 1.00 0.00 C ATOM 227 CD LYS A 15 18.503 7.635 -3.023 1.00 0.00 C ATOM 228 CE LYS A 15 18.660 9.117 -3.380 1.00 0.00 C ATOM 229 NZ LYS A 15 18.617 9.176 -4.873 1.00 0.00 N ATOM 0 H LYS A 15 14.639 7.165 -3.016 1.00 0.00 H new ATOM 0 HA LYS A 15 15.802 4.830 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.371 6.371 -1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.512 5.300 -2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.203 6.795 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.409 7.942 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.596 7.499 -1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.299 7.053 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.860 9.713 -2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.600 9.515 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.015 10.081 -5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.175 8.392 -5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.631 9.096 -5.195 1.00 0.00 H new ATOM 243 N LEU A 16 14.401 4.338 -1.311 1.00 0.00 N ATOM 244 CA LEU A 16 13.951 3.244 -0.409 1.00 0.00 C ATOM 245 C LEU A 16 12.901 2.390 -1.123 1.00 0.00 C ATOM 246 O LEU A 16 12.937 1.177 -1.075 1.00 0.00 O ATOM 247 CB LEU A 16 13.348 3.955 0.803 1.00 0.00 C ATOM 248 CG LEU A 16 13.176 2.955 1.950 1.00 0.00 C ATOM 249 CD1 LEU A 16 13.550 3.631 3.271 1.00 0.00 C ATOM 250 CD2 LEU A 16 11.720 2.489 2.010 1.00 0.00 C ATOM 0 H LEU A 16 14.129 5.278 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 16 14.761 2.575 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.995 4.775 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.385 4.391 0.540 1.00 0.00 H new ATOM 0 HG LEU A 16 13.824 2.095 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.429 2.922 4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.587 3.963 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.901 4.491 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.599 1.777 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.070 3.348 2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.452 2.010 1.068 1.00 0.00 H new ATOM 262 N ALA A 17 12.021 3.013 -1.861 1.00 0.00 N ATOM 263 CA ALA A 17 11.037 2.233 -2.663 1.00 0.00 C ATOM 264 C ALA A 17 11.777 1.323 -3.649 1.00 0.00 C ATOM 265 O ALA A 17 11.492 0.147 -3.757 1.00 0.00 O ATOM 266 CB ALA A 17 10.215 3.282 -3.412 1.00 0.00 C ATOM 0 H ALA A 17 11.942 4.027 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 17 10.408 1.593 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.465 2.785 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.720 3.936 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.873 3.873 -4.049 1.00 0.00 H new ATOM 272 N LEU A 18 12.783 1.841 -4.301 1.00 0.00 N ATOM 273 CA LEU A 18 13.609 0.985 -5.200 1.00 0.00 C ATOM 274 C LEU A 18 14.245 -0.152 -4.402 1.00 0.00 C ATOM 275 O LEU A 18 14.266 -1.289 -4.828 1.00 0.00 O ATOM 276 CB LEU A 18 14.686 1.922 -5.753 1.00 0.00 C ATOM 277 CG LEU A 18 14.309 2.365 -7.169 1.00 0.00 C ATOM 278 CD1 LEU A 18 14.177 3.889 -7.208 1.00 0.00 C ATOM 279 CD2 LEU A 18 15.401 1.926 -8.147 1.00 0.00 C ATOM 0 H LEU A 18 13.068 2.819 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 18 13.021 0.526 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.791 2.792 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.651 1.415 -5.765 1.00 0.00 H new ATOM 0 HG LEU A 18 13.360 1.909 -7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.909 4.205 -8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.402 4.205 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 18 15.127 4.344 -6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 18 15.134 2.241 -9.156 1.00 0.00 H new ATOM 0 HD22 LEU A 18 16.349 2.383 -7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 18 15.499 0.841 -8.120 1.00 0.00 H new ATOM 291 N ASP A 19 14.715 0.130 -3.223 1.00 0.00 N ATOM 292 CA ASP A 19 15.280 -0.956 -2.381 1.00 0.00 C ATOM 293 C ASP A 19 14.206 -2.009 -2.087 1.00 0.00 C ATOM 294 O ASP A 19 14.445 -3.196 -2.189 1.00 0.00 O ATOM 295 CB ASP A 19 15.730 -0.271 -1.090 1.00 0.00 C ATOM 296 CG ASP A 19 16.349 -1.311 -0.153 1.00 0.00 C ATOM 297 OD1 ASP A 19 16.193 -2.491 -0.424 1.00 0.00 O ATOM 298 OD2 ASP A 19 16.970 -0.911 0.817 1.00 0.00 O ATOM 0 H ASP A 19 14.733 1.061 -2.807 1.00 0.00 H new ATOM 0 HA ASP A 19 16.105 -1.472 -2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.456 0.511 -1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.881 0.211 -0.606 1.00 0.00 H new ATOM 303 N LEU A 20 13.049 -1.587 -1.641 1.00 0.00 N ATOM 304 CA LEU A 20 12.002 -2.576 -1.247 1.00 0.00 C ATOM 305 C LEU A 20 11.456 -3.310 -2.472 1.00 0.00 C ATOM 306 O LEU A 20 11.272 -4.511 -2.447 1.00 0.00 O ATOM 307 CB LEU A 20 10.914 -1.779 -0.486 1.00 0.00 C ATOM 308 CG LEU A 20 9.819 -1.219 -1.417 1.00 0.00 C ATOM 309 CD1 LEU A 20 8.923 -2.344 -1.950 1.00 0.00 C ATOM 310 CD2 LEU A 20 8.945 -0.251 -0.625 1.00 0.00 C ATOM 0 H LEU A 20 12.786 -0.607 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 20 12.404 -3.358 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.453 -2.425 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.383 -0.955 0.051 1.00 0.00 H new ATOM 0 HG LEU A 20 10.303 -0.719 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.159 -1.922 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.528 -3.056 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.444 -2.854 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.167 0.151 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.484 -0.777 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.559 0.566 -0.245 1.00 0.00 H new ATOM 322 N LEU A 21 11.064 -2.596 -3.492 1.00 0.00 N ATOM 323 CA LEU A 21 10.388 -3.276 -4.626 1.00 0.00 C ATOM 324 C LEU A 21 11.326 -4.337 -5.199 1.00 0.00 C ATOM 325 O LEU A 21 10.906 -5.415 -5.571 1.00 0.00 O ATOM 326 CB LEU A 21 10.009 -2.147 -5.616 1.00 0.00 C ATOM 327 CG LEU A 21 10.769 -2.202 -6.954 1.00 0.00 C ATOM 328 CD1 LEU A 21 12.269 -2.052 -6.715 1.00 0.00 C ATOM 329 CD2 LEU A 21 10.473 -3.512 -7.694 1.00 0.00 C ATOM 0 H LEU A 21 11.181 -1.587 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 21 9.483 -3.817 -4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.939 -2.198 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.199 -1.184 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 21 10.429 -1.375 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.795 -2.093 -7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.467 -1.095 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 21 12.618 -2.861 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.020 -3.529 -8.636 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.784 -4.356 -7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.404 -3.583 -7.894 1.00 0.00 H new ATOM 341 N GLU A 22 12.600 -4.107 -5.096 1.00 0.00 N ATOM 342 CA GLU A 22 13.584 -5.174 -5.438 1.00 0.00 C ATOM 343 C GLU A 22 13.441 -6.349 -4.463 1.00 0.00 C ATOM 344 O GLU A 22 13.632 -7.495 -4.821 1.00 0.00 O ATOM 345 CB GLU A 22 14.952 -4.507 -5.282 1.00 0.00 C ATOM 346 CG GLU A 22 16.043 -5.443 -5.804 1.00 0.00 C ATOM 347 CD GLU A 22 17.408 -4.768 -5.649 1.00 0.00 C ATOM 348 OE1 GLU A 22 17.436 -3.626 -5.221 1.00 0.00 O ATOM 349 OE2 GLU A 22 18.401 -5.403 -5.963 1.00 0.00 O ATOM 0 H GLU A 22 13.008 -3.224 -4.789 1.00 0.00 H new ATOM 0 HA GLU A 22 13.438 -5.574 -6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.973 -3.566 -5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.134 -4.269 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.025 -6.383 -5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.861 -5.684 -6.851 1.00 0.00 H new ATOM 356 N GLN A 23 13.230 -6.055 -3.207 1.00 0.00 N ATOM 357 CA GLN A 23 13.218 -7.127 -2.168 1.00 0.00 C ATOM 358 C GLN A 23 12.128 -8.166 -2.451 1.00 0.00 C ATOM 359 O GLN A 23 12.326 -9.348 -2.258 1.00 0.00 O ATOM 360 CB GLN A 23 12.922 -6.396 -0.860 1.00 0.00 C ATOM 361 CG GLN A 23 12.885 -7.400 0.293 1.00 0.00 C ATOM 362 CD GLN A 23 14.284 -7.980 0.509 1.00 0.00 C ATOM 363 OE1 GLN A 23 15.211 -7.259 0.825 1.00 0.00 O ATOM 364 NE2 GLN A 23 14.479 -9.261 0.355 1.00 0.00 N ATOM 0 H GLN A 23 13.064 -5.112 -2.854 1.00 0.00 H new ATOM 0 HA GLN A 23 14.161 -7.672 -2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.685 -5.641 -0.673 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.968 -5.874 -0.931 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.538 -6.912 1.203 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.178 -8.200 0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.702 -9.867 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.408 -9.656 0.500 1.00 0.00 H new ATOM 373 N ILE A 24 10.946 -7.728 -2.787 1.00 0.00 N ATOM 374 CA ILE A 24 9.817 -8.693 -2.934 1.00 0.00 C ATOM 375 C ILE A 24 10.122 -9.715 -4.031 1.00 0.00 C ATOM 376 O ILE A 24 10.008 -10.906 -3.824 1.00 0.00 O ATOM 377 CB ILE A 24 8.605 -7.839 -3.306 1.00 0.00 C ATOM 378 CG1 ILE A 24 8.121 -7.083 -2.066 1.00 0.00 C ATOM 379 CG2 ILE A 24 7.482 -8.741 -3.825 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.368 -5.821 -2.494 1.00 0.00 C ATOM 0 H ILE A 24 10.713 -6.751 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 24 9.644 -9.262 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 24 8.884 -7.128 -4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.470 -7.722 -1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.970 -6.816 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.618 -8.131 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.828 -9.282 -4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.199 -9.453 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.024 -5.285 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.033 -5.179 -3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.510 -6.099 -3.106 1.00 0.00 H new ATOM 392 N LYS A 25 10.561 -9.273 -5.175 1.00 0.00 N ATOM 393 CA LYS A 25 10.929 -10.249 -6.239 1.00 0.00 C ATOM 394 C LYS A 25 12.052 -11.168 -5.750 1.00 0.00 C ATOM 395 O LYS A 25 11.947 -12.376 -5.815 1.00 0.00 O ATOM 396 CB LYS A 25 11.394 -9.400 -7.423 1.00 0.00 C ATOM 397 CG LYS A 25 10.191 -8.671 -8.029 1.00 0.00 C ATOM 398 CD LYS A 25 10.652 -7.820 -9.214 1.00 0.00 C ATOM 399 CE LYS A 25 9.448 -7.091 -9.818 1.00 0.00 C ATOM 400 NZ LYS A 25 9.523 -5.706 -9.272 1.00 0.00 N ATOM 0 H LYS A 25 10.680 -8.290 -5.419 1.00 0.00 H new ATOM 0 HA LYS A 25 10.094 -10.894 -6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.143 -8.679 -7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.867 -10.032 -8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.442 -9.393 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.718 -8.040 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.401 -7.099 -8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.124 -8.451 -9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.493 -7.089 -10.907 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.512 -7.575 -9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.739 -5.139 -9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.454 -5.738 -8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.428 -5.274 -9.545 1.00 0.00 H new ATOM 414 N ASN A 26 13.095 -10.611 -5.199 1.00 0.00 N ATOM 415 CA ASN A 26 14.182 -11.466 -4.638 1.00 0.00 C ATOM 416 C ASN A 26 13.632 -12.365 -3.536 1.00 0.00 C ATOM 417 O ASN A 26 13.833 -13.564 -3.533 1.00 0.00 O ATOM 418 CB ASN A 26 15.189 -10.489 -4.039 1.00 0.00 C ATOM 419 CG ASN A 26 16.430 -11.258 -3.574 1.00 0.00 C ATOM 420 OD1 ASN A 26 16.571 -12.430 -3.859 1.00 0.00 O ATOM 421 ND2 ASN A 26 17.342 -10.645 -2.867 1.00 0.00 N ATOM 0 H ASN A 26 13.243 -9.605 -5.112 1.00 0.00 H new ATOM 0 HA ASN A 26 14.624 -12.108 -5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.469 -9.739 -4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.741 -9.957 -3.199 1.00 0.00 H new ATOM 0 HD21 ASN A 26 18.171 -11.151 -2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 26 17.225 -9.661 -2.627 1.00 0.00 H new ATOM 428 N GLY A 27 13.071 -11.765 -2.526 1.00 0.00 N ATOM 429 CA GLY A 27 12.657 -12.544 -1.333 1.00 0.00 C ATOM 430 C GLY A 27 11.135 -12.703 -1.314 1.00 0.00 C ATOM 431 O GLY A 27 10.622 -13.768 -1.034 1.00 0.00 O ATOM 0 H GLY A 27 12.881 -10.764 -2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.133 -13.524 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.990 -12.040 -0.426 1.00 0.00 H new ATOM 435 N ALA A 28 10.417 -11.628 -1.541 1.00 0.00 N ATOM 436 CA ALA A 28 8.920 -11.664 -1.471 1.00 0.00 C ATOM 437 C ALA A 28 8.465 -11.599 -0.027 1.00 0.00 C ATOM 438 O ALA A 28 9.291 -11.613 0.856 1.00 0.00 O ATOM 439 CB ALA A 28 8.476 -12.971 -2.136 1.00 0.00 C ATOM 0 H ALA A 28 10.809 -10.716 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 28 8.476 -10.810 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.389 -13.042 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.815 -12.986 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.908 -13.817 -1.601 1.00 0.00 H new ATOM 445 N ASP A 29 7.160 -11.422 0.164 1.00 0.00 N ATOM 446 CA ASP A 29 6.507 -11.210 1.517 1.00 0.00 C ATOM 447 C ASP A 29 6.018 -9.764 1.632 1.00 0.00 C ATOM 448 O ASP A 29 6.702 -8.907 2.155 1.00 0.00 O ATOM 449 CB ASP A 29 7.539 -11.476 2.609 1.00 0.00 C ATOM 450 CG ASP A 29 7.956 -12.949 2.577 1.00 0.00 C ATOM 451 OD1 ASP A 29 7.213 -13.744 2.025 1.00 0.00 O ATOM 452 OD2 ASP A 29 9.012 -13.256 3.106 1.00 0.00 O ATOM 0 H ASP A 29 6.491 -11.416 -0.606 1.00 0.00 H new ATOM 0 HA ASP A 29 5.660 -11.888 1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.411 -10.838 2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.122 -11.227 3.585 1.00 0.00 H new ATOM 457 N PHE A 30 4.835 -9.489 1.158 1.00 0.00 N ATOM 458 CA PHE A 30 4.298 -8.100 1.249 1.00 0.00 C ATOM 459 C PHE A 30 4.203 -7.657 2.715 1.00 0.00 C ATOM 460 O PHE A 30 4.614 -6.570 3.072 1.00 0.00 O ATOM 461 CB PHE A 30 2.903 -8.173 0.620 1.00 0.00 C ATOM 462 CG PHE A 30 2.982 -7.828 -0.851 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.061 -6.486 -1.253 1.00 0.00 C ATOM 464 CD2 PHE A 30 2.972 -8.849 -1.814 1.00 0.00 C ATOM 465 CE1 PHE A 30 3.131 -6.165 -2.616 1.00 0.00 C ATOM 466 CE2 PHE A 30 3.042 -8.526 -3.177 1.00 0.00 C ATOM 467 CZ PHE A 30 3.121 -7.185 -3.578 1.00 0.00 C ATOM 0 H PHE A 30 4.216 -10.165 0.711 1.00 0.00 H new ATOM 0 HA PHE A 30 4.939 -7.378 0.743 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.490 -9.174 0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.229 -7.484 1.128 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.068 -5.700 -0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.910 -9.882 -1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.193 -5.132 -2.925 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.035 -9.311 -3.918 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.174 -6.938 -4.628 1.00 0.00 H new ATOM 477 N GLY A 31 3.617 -8.465 3.555 1.00 0.00 N ATOM 478 CA GLY A 31 3.438 -8.058 4.980 1.00 0.00 C ATOM 479 C GLY A 31 4.803 -7.849 5.646 1.00 0.00 C ATOM 480 O GLY A 31 5.013 -6.893 6.368 1.00 0.00 O ATOM 0 H GLY A 31 3.254 -9.388 3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.855 -7.139 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.877 -8.823 5.517 1.00 0.00 H new ATOM 484 N LYS A 32 5.715 -8.762 5.454 1.00 0.00 N ATOM 485 CA LYS A 32 7.040 -8.640 6.130 1.00 0.00 C ATOM 486 C LYS A 32 7.762 -7.379 5.651 1.00 0.00 C ATOM 487 O LYS A 32 8.352 -6.657 6.430 1.00 0.00 O ATOM 488 CB LYS A 32 7.812 -9.898 5.727 1.00 0.00 C ATOM 489 CG LYS A 32 9.168 -9.916 6.438 1.00 0.00 C ATOM 490 CD LYS A 32 9.922 -11.195 6.070 1.00 0.00 C ATOM 491 CE LYS A 32 11.265 -11.228 6.806 1.00 0.00 C ATOM 492 NZ LYS A 32 10.996 -11.955 8.082 1.00 0.00 N ATOM 0 H LYS A 32 5.602 -9.584 4.861 1.00 0.00 H new ATOM 0 HA LYS A 32 6.947 -8.556 7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.240 -10.788 5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.956 -9.919 4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.752 -9.042 6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.025 -9.864 7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.328 -12.069 6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.085 -11.236 4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.025 -11.739 6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.634 -10.220 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.873 -12.016 8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.274 -11.443 8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.654 -12.914 7.870 1.00 0.00 H new ATOM 506 N LEU A 33 7.678 -7.081 4.385 1.00 0.00 N ATOM 507 CA LEU A 33 8.315 -5.838 3.871 1.00 0.00 C ATOM 508 C LEU A 33 7.673 -4.607 4.513 1.00 0.00 C ATOM 509 O LEU A 33 8.341 -3.643 4.829 1.00 0.00 O ATOM 510 CB LEU A 33 8.053 -5.856 2.366 1.00 0.00 C ATOM 511 CG LEU A 33 8.468 -4.516 1.760 1.00 0.00 C ATOM 512 CD1 LEU A 33 9.976 -4.318 1.928 1.00 0.00 C ATOM 513 CD2 LEU A 33 8.114 -4.498 0.272 1.00 0.00 C ATOM 0 H LEU A 33 7.196 -7.644 3.684 1.00 0.00 H new ATOM 0 HA LEU A 33 9.380 -5.794 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.611 -6.667 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.997 -6.043 2.172 1.00 0.00 H new ATOM 0 HG LEU A 33 7.940 -3.711 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.268 -3.361 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.228 -4.328 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.507 -5.123 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.410 -3.542 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.640 -5.305 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.039 -4.633 0.152 1.00 0.00 H new ATOM 525 N ALA A 34 6.379 -4.614 4.681 1.00 0.00 N ATOM 526 CA ALA A 34 5.707 -3.420 5.268 1.00 0.00 C ATOM 527 C ALA A 34 6.259 -3.135 6.666 1.00 0.00 C ATOM 528 O ALA A 34 6.661 -2.031 6.968 1.00 0.00 O ATOM 529 CB ALA A 34 4.226 -3.794 5.344 1.00 0.00 C ATOM 0 H ALA A 34 5.761 -5.389 4.439 1.00 0.00 H new ATOM 0 HA ALA A 34 5.871 -2.522 4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.662 -2.963 5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.854 -4.012 4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.105 -4.674 5.976 1.00 0.00 H new ATOM 535 N LYS A 35 6.315 -4.125 7.515 1.00 0.00 N ATOM 536 CA LYS A 35 6.880 -3.892 8.877 1.00 0.00 C ATOM 537 C LYS A 35 8.333 -3.417 8.784 1.00 0.00 C ATOM 538 O LYS A 35 8.752 -2.533 9.505 1.00 0.00 O ATOM 539 CB LYS A 35 6.809 -5.246 9.585 1.00 0.00 C ATOM 540 CG LYS A 35 7.434 -5.120 10.977 1.00 0.00 C ATOM 541 CD LYS A 35 7.338 -6.460 11.709 1.00 0.00 C ATOM 542 CE LYS A 35 8.173 -6.403 12.990 1.00 0.00 C ATOM 543 NZ LYS A 35 9.575 -6.634 12.541 1.00 0.00 N ATOM 0 H LYS A 35 5.998 -5.076 7.328 1.00 0.00 H new ATOM 0 HA LYS A 35 6.328 -3.121 9.415 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.772 -5.573 9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.337 -6.002 9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.477 -4.815 10.892 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.921 -4.346 11.548 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.298 -6.681 11.950 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.694 -7.264 11.065 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.071 -5.438 13.486 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.856 -7.164 13.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.906 -7.554 12.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.612 -6.630 11.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.187 -5.879 12.912 1.00 0.00 H new ATOM 557 N LYS A 36 9.133 -4.080 7.995 1.00 0.00 N ATOM 558 CA LYS A 36 10.590 -3.759 7.969 1.00 0.00 C ATOM 559 C LYS A 36 10.826 -2.306 7.537 1.00 0.00 C ATOM 560 O LYS A 36 11.716 -1.643 8.032 1.00 0.00 O ATOM 561 CB LYS A 36 11.184 -4.725 6.945 1.00 0.00 C ATOM 562 CG LYS A 36 12.690 -4.486 6.835 1.00 0.00 C ATOM 563 CD LYS A 36 13.349 -4.787 8.183 1.00 0.00 C ATOM 564 CE LYS A 36 14.867 -4.650 8.052 1.00 0.00 C ATOM 565 NZ LYS A 36 15.307 -5.909 7.387 1.00 0.00 N ATOM 0 H LYS A 36 8.842 -4.830 7.367 1.00 0.00 H new ATOM 0 HA LYS A 36 11.047 -3.864 8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.989 -5.755 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.710 -4.580 5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.115 -5.123 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.886 -3.454 6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.976 -4.101 8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.091 -5.795 8.509 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.136 -3.775 7.460 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.339 -4.532 9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.906 -6.455 8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.473 -6.474 7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.850 -5.678 6.530 1.00 0.00 H new ATOM 579 N HIS A 37 10.113 -1.840 6.546 1.00 0.00 N ATOM 580 CA HIS A 37 10.390 -0.474 6.009 1.00 0.00 C ATOM 581 C HIS A 37 9.333 0.528 6.484 1.00 0.00 C ATOM 582 O HIS A 37 9.399 1.702 6.178 1.00 0.00 O ATOM 583 CB HIS A 37 10.330 -0.628 4.490 1.00 0.00 C ATOM 584 CG HIS A 37 11.683 -1.029 3.971 1.00 0.00 C ATOM 585 ND1 HIS A 37 11.952 -2.310 3.516 1.00 0.00 N ATOM 586 CD2 HIS A 37 12.854 -0.325 3.827 1.00 0.00 C ATOM 587 CE1 HIS A 37 13.240 -2.338 3.125 1.00 0.00 C ATOM 588 NE2 HIS A 37 13.834 -1.155 3.293 1.00 0.00 N ATOM 0 H HIS A 37 9.354 -2.343 6.086 1.00 0.00 H new ATOM 0 HA HIS A 37 11.353 -0.094 6.351 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.588 -1.379 4.219 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.016 0.310 4.031 1.00 0.00 H new ATOM 0 HD2 HIS A 37 12.992 0.714 4.088 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.732 -3.212 2.724 1.00 0.00 H new ATOM 0 HE2 HIS A 37 14.800 -0.911 3.076 1.00 0.00 H new ATOM 596 N SER A 38 8.332 0.070 7.181 1.00 0.00 N ATOM 597 CA SER A 38 7.245 0.992 7.615 1.00 0.00 C ATOM 598 C SER A 38 7.806 2.110 8.499 1.00 0.00 C ATOM 599 O SER A 38 7.449 3.261 8.350 1.00 0.00 O ATOM 600 CB SER A 38 6.284 0.115 8.416 1.00 0.00 C ATOM 601 OG SER A 38 5.665 0.895 9.427 1.00 0.00 O ATOM 0 H SER A 38 8.219 -0.902 7.469 1.00 0.00 H new ATOM 0 HA SER A 38 6.757 1.476 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.528 -0.312 7.757 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.823 -0.719 8.864 1.00 0.00 H new ATOM 0 HG SER A 38 5.376 1.751 9.048 1.00 0.00 H new ATOM 607 N ILE A 39 8.637 1.767 9.450 1.00 0.00 N ATOM 608 CA ILE A 39 9.178 2.793 10.394 1.00 0.00 C ATOM 609 C ILE A 39 8.092 3.810 10.761 1.00 0.00 C ATOM 610 O ILE A 39 8.371 4.956 11.050 1.00 0.00 O ATOM 611 CB ILE A 39 10.331 3.468 9.647 1.00 0.00 C ATOM 612 CG1 ILE A 39 11.107 4.360 10.619 1.00 0.00 C ATOM 613 CG2 ILE A 39 9.782 4.318 8.501 1.00 0.00 C ATOM 614 CD1 ILE A 39 12.501 4.642 10.055 1.00 0.00 C ATOM 0 H ILE A 39 8.966 0.816 9.614 1.00 0.00 H new ATOM 0 HA ILE A 39 9.515 2.348 11.330 1.00 0.00 H new ATOM 0 HB ILE A 39 10.993 2.705 9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.571 5.296 10.776 1.00 0.00 H new ATOM 0 HG13 ILE A 39 11.188 3.872 11.590 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.608 4.795 7.974 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.229 3.683 7.809 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.117 5.083 8.902 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.052 5.277 10.748 1.00 0.00 H new ATOM 0 HD12 ILE A 39 13.036 3.702 9.920 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.409 5.148 9.094 1.00 0.00 H new ATOM 626 N CYS A 40 6.856 3.391 10.762 1.00 0.00 N ATOM 627 CA CYS A 40 5.748 4.323 11.123 1.00 0.00 C ATOM 628 C CYS A 40 4.820 3.663 12.148 1.00 0.00 C ATOM 629 O CYS A 40 4.507 2.493 12.039 1.00 0.00 O ATOM 630 CB CYS A 40 5.007 4.584 9.811 1.00 0.00 C ATOM 631 SG CYS A 40 3.456 5.450 10.152 1.00 0.00 S ATOM 0 H CYS A 40 6.564 2.442 10.528 1.00 0.00 H new ATOM 0 HA CYS A 40 6.111 5.247 11.573 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.629 5.180 9.143 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.805 3.642 9.302 1.00 0.00 H new ATOM 0 HG CYS A 40 2.467 4.609 10.092 1.00 0.00 H new ATOM 637 N PRO A 41 4.460 4.423 13.146 1.00 0.00 N ATOM 638 CA PRO A 41 3.620 3.890 14.247 1.00 0.00 C ATOM 639 C PRO A 41 2.370 3.197 13.691 1.00 0.00 C ATOM 640 O PRO A 41 1.858 2.262 14.274 1.00 0.00 O ATOM 641 CB PRO A 41 3.240 5.133 15.049 1.00 0.00 C ATOM 642 CG PRO A 41 4.293 6.148 14.724 1.00 0.00 C ATOM 643 CD PRO A 41 4.798 5.837 13.339 1.00 0.00 C ATOM 0 HA PRO A 41 4.137 3.142 14.848 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.249 5.492 14.773 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.215 4.920 16.118 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.882 7.156 14.766 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.106 6.105 15.449 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.320 6.467 12.589 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.872 6.005 13.259 1.00 0.00 H new ATOM 651 N SER A 42 1.872 3.650 12.574 1.00 0.00 N ATOM 652 CA SER A 42 0.652 3.019 11.989 1.00 0.00 C ATOM 653 C SER A 42 1.039 2.056 10.865 1.00 0.00 C ATOM 654 O SER A 42 0.205 1.606 10.108 1.00 0.00 O ATOM 655 CB SER A 42 -0.184 4.175 11.436 1.00 0.00 C ATOM 656 OG SER A 42 0.352 5.411 11.886 1.00 0.00 O ATOM 0 H SER A 42 2.256 4.430 12.040 1.00 0.00 H new ATOM 0 HA SER A 42 0.100 2.441 12.731 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.189 4.145 10.346 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.219 4.076 11.762 1.00 0.00 H new ATOM 0 HG SER A 42 -0.184 6.149 11.529 1.00 0.00 H new ATOM 662 N GLY A 43 2.300 1.745 10.740 1.00 0.00 N ATOM 663 CA GLY A 43 2.731 0.819 9.655 1.00 0.00 C ATOM 664 C GLY A 43 3.047 -0.553 10.253 1.00 0.00 C ATOM 665 O GLY A 43 2.391 -1.533 9.961 1.00 0.00 O ATOM 0 H GLY A 43 3.049 2.091 11.340 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.945 0.729 8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.610 1.218 9.149 1.00 0.00 H new ATOM 669 N LYS A 44 4.027 -0.628 11.113 1.00 0.00 N ATOM 670 CA LYS A 44 4.357 -1.934 11.753 1.00 0.00 C ATOM 671 C LYS A 44 3.147 -2.449 12.535 1.00 0.00 C ATOM 672 O LYS A 44 2.845 -3.626 12.530 1.00 0.00 O ATOM 673 CB LYS A 44 5.514 -1.629 12.704 1.00 0.00 C ATOM 674 CG LYS A 44 6.743 -1.212 11.895 1.00 0.00 C ATOM 675 CD LYS A 44 7.900 -0.908 12.849 1.00 0.00 C ATOM 676 CE LYS A 44 9.130 -0.489 12.043 1.00 0.00 C ATOM 677 NZ LYS A 44 10.193 -0.256 13.062 1.00 0.00 N ATOM 0 H LYS A 44 4.612 0.157 11.400 1.00 0.00 H new ATOM 0 HA LYS A 44 4.621 -2.699 11.023 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.232 -0.833 13.393 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.744 -2.507 13.308 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.025 -2.008 11.205 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.514 -0.333 11.292 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.617 -0.114 13.539 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.129 -1.787 13.451 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.423 -1.266 11.336 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.934 0.413 11.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.071 0.036 12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.888 0.493 13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.362 -1.133 13.594 1.00 0.00 H new ATOM 691 N ARG A 45 2.453 -1.571 13.206 1.00 0.00 N ATOM 692 CA ARG A 45 1.261 -1.997 13.989 1.00 0.00 C ATOM 693 C ARG A 45 -0.020 -1.640 13.230 1.00 0.00 C ATOM 694 O ARG A 45 -1.025 -2.312 13.338 1.00 0.00 O ATOM 695 CB ARG A 45 1.362 -1.207 15.300 1.00 0.00 C ATOM 696 CG ARG A 45 -0.007 -1.150 15.984 1.00 0.00 C ATOM 697 CD ARG A 45 -0.403 -2.546 16.465 1.00 0.00 C ATOM 698 NE ARG A 45 -1.640 -2.334 17.269 1.00 0.00 N ATOM 699 CZ ARG A 45 -2.260 -3.352 17.806 1.00 0.00 C ATOM 700 NH1 ARG A 45 -1.811 -4.566 17.627 1.00 0.00 N ATOM 701 NH2 ARG A 45 -3.335 -3.156 18.519 1.00 0.00 N ATOM 0 H ARG A 45 2.662 -0.573 13.245 1.00 0.00 H new ATOM 0 HA ARG A 45 1.230 -3.073 14.163 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.089 -1.677 15.962 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.720 -0.197 15.099 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.026 -0.460 16.827 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.755 -0.769 15.289 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.587 -3.216 15.625 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.387 -2.997 17.066 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.004 -1.390 17.401 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.973 -4.722 17.066 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.298 -5.357 18.048 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.690 -2.210 18.657 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.820 -3.949 18.939 1.00 0.00 H new ATOM 715 N GLY A 46 -0.005 -0.555 12.504 1.00 0.00 N ATOM 716 CA GLY A 46 -1.239 -0.123 11.792 1.00 0.00 C ATOM 717 C GLY A 46 -1.169 -0.546 10.325 1.00 0.00 C ATOM 718 O GLY A 46 -2.108 -0.369 9.577 1.00 0.00 O ATOM 0 H GLY A 46 0.807 0.049 12.374 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.116 -0.565 12.265 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.350 0.959 11.863 1.00 0.00 H new ATOM 722 N GLY A 47 -0.069 -1.102 9.896 1.00 0.00 N ATOM 723 CA GLY A 47 0.029 -1.523 8.471 1.00 0.00 C ATOM 724 C GLY A 47 -1.190 -2.381 8.131 1.00 0.00 C ATOM 725 O GLY A 47 -1.960 -2.060 7.249 1.00 0.00 O ATOM 0 H GLY A 47 0.758 -1.281 10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.070 -0.649 7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.947 -2.087 8.305 1.00 0.00 H new ATOM 729 N ASP A 48 -1.462 -3.364 8.938 1.00 0.00 N ATOM 730 CA ASP A 48 -2.741 -4.114 8.793 1.00 0.00 C ATOM 731 C ASP A 48 -3.909 -3.236 9.258 1.00 0.00 C ATOM 732 O ASP A 48 -4.094 -3.012 10.437 1.00 0.00 O ATOM 733 CB ASP A 48 -2.587 -5.336 9.700 1.00 0.00 C ATOM 734 CG ASP A 48 -3.732 -6.315 9.435 1.00 0.00 C ATOM 735 OD1 ASP A 48 -4.675 -5.928 8.765 1.00 0.00 O ATOM 736 OD2 ASP A 48 -3.645 -7.438 9.906 1.00 0.00 O ATOM 0 H ASP A 48 -0.855 -3.683 9.693 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.946 -4.402 7.762 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.629 -5.821 9.514 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.592 -5.029 10.746 1.00 0.00 H new ATOM 741 N LEU A 49 -4.699 -2.741 8.346 1.00 0.00 N ATOM 742 CA LEU A 49 -5.853 -1.882 8.750 1.00 0.00 C ATOM 743 C LEU A 49 -7.170 -2.630 8.530 1.00 0.00 C ATOM 744 O LEU A 49 -8.238 -2.115 8.791 1.00 0.00 O ATOM 745 CB LEU A 49 -5.775 -0.645 7.847 1.00 0.00 C ATOM 746 CG LEU A 49 -4.604 0.251 8.284 1.00 0.00 C ATOM 747 CD1 LEU A 49 -3.561 0.344 7.164 1.00 0.00 C ATOM 748 CD2 LEU A 49 -5.126 1.654 8.602 1.00 0.00 C ATOM 0 H LEU A 49 -4.598 -2.892 7.342 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.814 -1.612 9.805 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.643 -0.950 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.710 -0.087 7.899 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.140 -0.183 9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.737 0.981 7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.182 -0.652 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.022 0.769 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.296 2.289 8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.595 2.077 7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.859 1.596 9.407 1.00 0.00 H new ATOM 760 N GLY A 50 -7.101 -3.848 8.070 1.00 0.00 N ATOM 761 CA GLY A 50 -8.349 -4.631 7.857 1.00 0.00 C ATOM 762 C GLY A 50 -9.127 -4.041 6.682 1.00 0.00 C ATOM 763 O GLY A 50 -8.581 -3.805 5.619 1.00 0.00 O ATOM 0 H GLY A 50 -6.236 -4.334 7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.106 -5.675 7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.961 -4.612 8.759 1.00 0.00 H new ATOM 767 N GLU A 51 -10.411 -3.864 6.839 1.00 0.00 N ATOM 768 CA GLU A 51 -11.232 -3.366 5.702 1.00 0.00 C ATOM 769 C GLU A 51 -11.945 -2.061 6.063 1.00 0.00 C ATOM 770 O GLU A 51 -12.560 -1.941 7.104 1.00 0.00 O ATOM 771 CB GLU A 51 -12.249 -4.475 5.431 1.00 0.00 C ATOM 772 CG GLU A 51 -11.669 -5.455 4.411 1.00 0.00 C ATOM 773 CD GLU A 51 -12.247 -6.851 4.654 1.00 0.00 C ATOM 774 OE1 GLU A 51 -12.941 -7.019 5.644 1.00 0.00 O ATOM 775 OE2 GLU A 51 -11.987 -7.727 3.847 1.00 0.00 O ATOM 0 H GLU A 51 -10.924 -4.042 7.702 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.617 -3.146 4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.491 -4.997 6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.178 -4.048 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.904 -5.124 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.582 -5.481 4.494 1.00 0.00 H new ATOM 782 N PHE A 52 -11.972 -1.133 5.147 1.00 0.00 N ATOM 783 CA PHE A 52 -12.767 0.112 5.360 1.00 0.00 C ATOM 784 C PHE A 52 -13.799 0.259 4.239 1.00 0.00 C ATOM 785 O PHE A 52 -13.815 -0.510 3.300 1.00 0.00 O ATOM 786 CB PHE A 52 -11.756 1.265 5.321 1.00 0.00 C ATOM 787 CG PHE A 52 -10.732 1.023 4.236 1.00 0.00 C ATOM 788 CD1 PHE A 52 -11.140 0.896 2.901 1.00 0.00 C ATOM 789 CD2 PHE A 52 -9.372 0.929 4.566 1.00 0.00 C ATOM 790 CE1 PHE A 52 -10.189 0.673 1.896 1.00 0.00 C ATOM 791 CE2 PHE A 52 -8.421 0.706 3.561 1.00 0.00 C ATOM 792 CZ PHE A 52 -8.829 0.579 2.225 1.00 0.00 C ATOM 0 H PHE A 52 -11.477 -1.182 4.257 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.310 0.098 6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.274 2.207 5.139 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.259 1.356 6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -12.187 0.970 2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.058 1.028 5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.504 0.573 0.868 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.374 0.632 3.815 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.096 0.409 1.450 1.00 0.00 H new ATOM 802 N ARG A 53 -14.676 1.220 4.337 1.00 0.00 N ATOM 803 CA ARG A 53 -15.714 1.378 3.280 1.00 0.00 C ATOM 804 C ARG A 53 -15.656 2.788 2.697 1.00 0.00 C ATOM 805 O ARG A 53 -15.293 3.724 3.376 1.00 0.00 O ATOM 806 CB ARG A 53 -17.050 1.139 3.985 1.00 0.00 C ATOM 807 CG ARG A 53 -17.293 2.237 5.021 1.00 0.00 C ATOM 808 CD ARG A 53 -18.734 2.143 5.531 1.00 0.00 C ATOM 809 NE ARG A 53 -18.731 1.008 6.499 1.00 0.00 N ATOM 810 CZ ARG A 53 -18.342 1.192 7.734 1.00 0.00 C ATOM 811 NH1 ARG A 53 -17.913 2.363 8.124 1.00 0.00 N ATOM 812 NH2 ARG A 53 -18.373 0.198 8.578 1.00 0.00 N ATOM 0 H ARG A 53 -14.719 1.898 5.098 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.568 0.684 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -17.860 1.129 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -17.046 0.163 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -16.594 2.131 5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -17.115 3.217 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -19.043 3.071 6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -19.431 1.961 4.713 1.00 0.00 H new ATOM 0 HE ARG A 53 -19.034 0.083 6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.880 3.140 7.464 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.611 2.500 9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -18.700 -0.719 8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.070 0.338 9.542 1.00 0.00 H new ATOM 900 N PRO A 59 -6.565 8.523 0.114 1.00 0.00 N ATOM 901 CA PRO A 59 -7.028 8.878 -1.249 1.00 0.00 C ATOM 902 C PRO A 59 -6.327 8.005 -2.296 1.00 0.00 C ATOM 903 O PRO A 59 -6.961 7.373 -3.117 1.00 0.00 O ATOM 904 CB PRO A 59 -6.635 10.350 -1.414 1.00 0.00 C ATOM 905 CG PRO A 59 -5.834 10.710 -0.194 1.00 0.00 C ATOM 906 CD PRO A 59 -6.152 9.699 0.873 1.00 0.00 C ATOM 0 HA PRO A 59 -8.098 8.720 -1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.049 10.497 -2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.519 10.982 -1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.768 10.705 -0.421 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.083 11.716 0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.284 9.489 1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.945 10.049 1.534 1.00 0.00 H new ATOM 914 N ALA A 60 -5.023 7.971 -2.276 1.00 0.00 N ATOM 915 CA ALA A 60 -4.279 7.146 -3.271 1.00 0.00 C ATOM 916 C ALA A 60 -4.949 5.778 -3.440 1.00 0.00 C ATOM 917 O ALA A 60 -4.980 5.223 -4.520 1.00 0.00 O ATOM 918 CB ALA A 60 -2.877 6.986 -2.681 1.00 0.00 C ATOM 0 H ALA A 60 -4.439 8.480 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.259 7.610 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.264 6.388 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.422 7.968 -2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.944 6.487 -1.714 1.00 0.00 H new ATOM 924 N PHE A 61 -5.475 5.225 -2.380 1.00 0.00 N ATOM 925 CA PHE A 61 -6.129 3.888 -2.483 1.00 0.00 C ATOM 926 C PHE A 61 -7.297 3.933 -3.471 1.00 0.00 C ATOM 927 O PHE A 61 -7.537 2.993 -4.203 1.00 0.00 O ATOM 928 CB PHE A 61 -6.634 3.580 -1.074 1.00 0.00 C ATOM 929 CG PHE A 61 -7.357 2.254 -1.082 1.00 0.00 C ATOM 930 CD1 PHE A 61 -6.646 1.063 -0.877 1.00 0.00 C ATOM 931 CD2 PHE A 61 -8.744 2.215 -1.292 1.00 0.00 C ATOM 932 CE1 PHE A 61 -7.320 -0.166 -0.882 1.00 0.00 C ATOM 933 CE2 PHE A 61 -9.418 0.986 -1.298 1.00 0.00 C ATOM 934 CZ PHE A 61 -8.706 -0.204 -1.094 1.00 0.00 C ATOM 0 H PHE A 61 -5.480 5.640 -1.448 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.439 3.126 -2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.798 3.548 -0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.303 4.370 -0.734 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.579 1.093 -0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.292 3.132 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.772 -1.083 -0.723 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -10.485 0.956 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.225 -1.151 -1.100 1.00 0.00 H new ATOM 944 N ASP A 62 -8.060 4.990 -3.459 1.00 0.00 N ATOM 945 CA ASP A 62 -9.247 5.053 -4.358 1.00 0.00 C ATOM 946 C ASP A 62 -8.813 4.938 -5.820 1.00 0.00 C ATOM 947 O ASP A 62 -9.317 4.118 -6.561 1.00 0.00 O ATOM 948 CB ASP A 62 -9.877 6.420 -4.084 1.00 0.00 C ATOM 949 CG ASP A 62 -11.119 6.596 -4.962 1.00 0.00 C ATOM 950 OD1 ASP A 62 -11.120 6.072 -6.063 1.00 0.00 O ATOM 951 OD2 ASP A 62 -12.043 7.256 -4.519 1.00 0.00 O ATOM 0 H ASP A 62 -7.915 5.809 -2.869 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.948 4.239 -4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.148 6.503 -3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.157 7.212 -4.291 1.00 0.00 H new ATOM 956 N LYS A 63 -7.852 5.716 -6.232 1.00 0.00 N ATOM 957 CA LYS A 63 -7.361 5.601 -7.633 1.00 0.00 C ATOM 958 C LYS A 63 -6.820 4.193 -7.899 1.00 0.00 C ATOM 959 O LYS A 63 -7.091 3.602 -8.925 1.00 0.00 O ATOM 960 CB LYS A 63 -6.241 6.636 -7.749 1.00 0.00 C ATOM 961 CG LYS A 63 -5.560 6.502 -9.115 1.00 0.00 C ATOM 962 CD LYS A 63 -4.445 7.543 -9.236 1.00 0.00 C ATOM 963 CE LYS A 63 -3.663 7.305 -10.529 1.00 0.00 C ATOM 964 NZ LYS A 63 -3.366 8.668 -11.055 1.00 0.00 N ATOM 0 H LYS A 63 -7.387 6.423 -5.663 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.155 5.775 -8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.646 7.641 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.512 6.490 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.149 5.499 -9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.290 6.642 -9.912 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.869 8.547 -9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.777 7.478 -8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.746 6.747 -10.339 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.248 6.725 -11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.830 8.588 -11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.257 9.173 -11.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.803 9.194 -10.357 1.00 0.00 H new ATOM 978 N VAL A 64 -5.963 3.701 -7.045 1.00 0.00 N ATOM 979 CA VAL A 64 -5.300 2.393 -7.330 1.00 0.00 C ATOM 980 C VAL A 64 -6.283 1.232 -7.172 1.00 0.00 C ATOM 981 O VAL A 64 -6.419 0.414 -8.061 1.00 0.00 O ATOM 982 CB VAL A 64 -4.168 2.285 -6.309 1.00 0.00 C ATOM 983 CG1 VAL A 64 -4.757 2.220 -4.898 1.00 0.00 C ATOM 984 CG2 VAL A 64 -3.360 1.015 -6.579 1.00 0.00 C ATOM 0 H VAL A 64 -5.694 4.144 -6.167 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.932 2.344 -8.355 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.519 3.157 -6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.950 2.143 -4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.336 3.123 -4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.405 1.348 -4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.552 0.936 -5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.011 0.145 -6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.940 1.057 -7.584 1.00 0.00 H new ATOM 994 N VAL A 65 -7.068 1.213 -6.130 1.00 0.00 N ATOM 995 CA VAL A 65 -8.131 0.171 -6.056 1.00 0.00 C ATOM 996 C VAL A 65 -9.007 0.255 -7.313 1.00 0.00 C ATOM 997 O VAL A 65 -9.514 -0.738 -7.796 1.00 0.00 O ATOM 998 CB VAL A 65 -8.933 0.467 -4.778 1.00 0.00 C ATOM 999 CG1 VAL A 65 -9.989 1.543 -5.040 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -9.628 -0.818 -4.318 1.00 0.00 C ATOM 0 H VAL A 65 -7.023 1.859 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.726 -0.840 -6.016 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.251 0.827 -4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.545 1.738 -4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.500 2.460 -5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.675 1.199 -5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.200 -0.618 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.300 -1.168 -5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.879 -1.583 -4.113 1.00 0.00 H new ATOM 1010 N PHE A 66 -9.114 1.424 -7.892 1.00 0.00 N ATOM 1011 CA PHE A 66 -9.870 1.561 -9.172 1.00 0.00 C ATOM 1012 C PHE A 66 -8.909 1.437 -10.362 1.00 0.00 C ATOM 1013 O PHE A 66 -9.320 1.254 -11.490 1.00 0.00 O ATOM 1014 CB PHE A 66 -10.489 2.959 -9.120 1.00 0.00 C ATOM 1015 CG PHE A 66 -11.461 3.123 -10.265 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -12.808 2.775 -10.093 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -11.017 3.622 -11.497 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -13.712 2.926 -11.154 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -11.921 3.774 -12.558 1.00 0.00 C ATOM 1020 CZ PHE A 66 -13.268 3.426 -12.387 1.00 0.00 C ATOM 0 H PHE A 66 -8.710 2.289 -7.533 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.629 0.788 -9.293 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -11.002 3.106 -8.170 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.708 3.717 -9.181 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -13.149 2.391 -9.143 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -9.979 3.889 -11.629 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -14.750 2.657 -11.022 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -11.579 4.159 -13.507 1.00 0.00 H new ATOM 0 HZ PHE A 66 -13.964 3.543 -13.205 1.00 0.00 H new ATOM 1030 N SER A 67 -7.630 1.456 -10.099 1.00 0.00 N ATOM 1031 CA SER A 67 -6.632 1.251 -11.187 1.00 0.00 C ATOM 1032 C SER A 67 -6.239 -0.226 -11.264 1.00 0.00 C ATOM 1033 O SER A 67 -6.415 -0.874 -12.277 1.00 0.00 O ATOM 1034 CB SER A 67 -5.421 2.097 -10.790 1.00 0.00 C ATOM 1035 OG SER A 67 -4.579 2.273 -11.920 1.00 0.00 O ATOM 0 H SER A 67 -7.232 1.606 -9.172 1.00 0.00 H new ATOM 0 HA SER A 67 -7.026 1.536 -12.163 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.748 3.066 -10.412 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.871 1.610 -9.985 1.00 0.00 H new ATOM 0 HG SER A 67 -3.803 2.816 -11.668 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.749 -0.774 -10.185 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.391 -2.222 -10.176 1.00 0.00 C ATOM 1043 C CYS A 68 -6.347 -2.993 -9.259 1.00 0.00 C ATOM 1044 O CYS A 68 -6.503 -2.652 -8.104 1.00 0.00 O ATOM 1045 CB CYS A 68 -3.966 -2.275 -9.630 1.00 0.00 C ATOM 1046 SG CYS A 68 -2.870 -1.318 -10.707 1.00 0.00 S ATOM 0 H CYS A 68 -5.581 -0.281 -9.308 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.463 -2.673 -11.166 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.938 -1.874 -8.617 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.625 -3.309 -9.573 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.674 -1.827 -10.671 1.00 0.00 H new ATOM 1052 N PRO A 69 -6.999 -3.976 -9.821 1.00 0.00 N ATOM 1053 CA PRO A 69 -8.001 -4.753 -9.053 1.00 0.00 C ATOM 1054 C PRO A 69 -7.341 -5.459 -7.863 1.00 0.00 C ATOM 1055 O PRO A 69 -6.168 -5.285 -7.597 1.00 0.00 O ATOM 1056 CB PRO A 69 -8.543 -5.771 -10.058 1.00 0.00 C ATOM 1057 CG PRO A 69 -7.574 -5.776 -11.201 1.00 0.00 C ATOM 1058 CD PRO A 69 -6.867 -4.447 -11.201 1.00 0.00 C ATOM 0 HA PRO A 69 -8.787 -4.124 -8.636 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.621 -6.761 -9.608 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.542 -5.494 -10.394 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.858 -6.591 -11.093 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -8.096 -5.933 -12.145 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.821 -4.551 -11.489 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -7.324 -3.752 -11.906 1.00 0.00 H new ATOM 1066 N VAL A 70 -8.109 -6.188 -7.101 1.00 0.00 N ATOM 1067 CA VAL A 70 -7.561 -6.835 -5.872 1.00 0.00 C ATOM 1068 C VAL A 70 -6.451 -7.830 -6.226 1.00 0.00 C ATOM 1069 O VAL A 70 -6.332 -8.270 -7.352 1.00 0.00 O ATOM 1070 CB VAL A 70 -8.751 -7.565 -5.252 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -9.820 -6.547 -4.851 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -9.335 -8.543 -6.271 1.00 0.00 C ATOM 0 H VAL A 70 -9.098 -6.365 -7.277 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.119 -6.107 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.422 -8.113 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.670 -7.067 -4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.403 -5.849 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.150 -5.999 -5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.184 -9.064 -5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.665 -7.995 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.573 -9.268 -6.558 1.00 0.00 H new ATOM 1082 N LEU A 71 -5.640 -8.184 -5.263 1.00 0.00 N ATOM 1083 CA LEU A 71 -4.533 -9.152 -5.521 1.00 0.00 C ATOM 1084 C LEU A 71 -3.606 -8.621 -6.614 1.00 0.00 C ATOM 1085 O LEU A 71 -2.857 -9.361 -7.221 1.00 0.00 O ATOM 1086 CB LEU A 71 -5.216 -10.447 -5.965 1.00 0.00 C ATOM 1087 CG LEU A 71 -5.867 -11.118 -4.754 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -7.288 -10.580 -4.576 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -5.919 -12.631 -4.977 1.00 0.00 C ATOM 0 H LEU A 71 -5.698 -7.842 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.916 -9.311 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.968 -10.233 -6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.487 -11.119 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.282 -10.902 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.752 -11.058 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.252 -9.502 -4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.874 -10.796 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.383 -13.110 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.504 -12.847 -5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.907 -13.015 -5.105 1.00 0.00 H new ATOM 1101 N GLU A 72 -3.586 -7.332 -6.805 1.00 0.00 N ATOM 1102 CA GLU A 72 -2.635 -6.738 -7.785 1.00 0.00 C ATOM 1103 C GLU A 72 -1.874 -5.586 -7.126 1.00 0.00 C ATOM 1104 O GLU A 72 -2.141 -4.431 -7.392 1.00 0.00 O ATOM 1105 CB GLU A 72 -3.507 -6.217 -8.929 1.00 0.00 C ATOM 1106 CG GLU A 72 -4.269 -7.381 -9.566 1.00 0.00 C ATOM 1107 CD GLU A 72 -4.323 -7.185 -11.082 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -3.773 -6.202 -11.553 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -4.912 -8.019 -11.748 1.00 0.00 O ATOM 0 H GLU A 72 -4.188 -6.663 -6.324 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.897 -7.458 -8.139 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.209 -5.472 -8.554 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.886 -5.723 -9.677 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.779 -8.325 -9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.279 -7.435 -9.159 1.00 0.00 H new ATOM 1116 N PRO A 73 -0.982 -5.945 -6.242 1.00 0.00 N ATOM 1117 CA PRO A 73 -0.217 -4.931 -5.484 1.00 0.00 C ATOM 1118 C PRO A 73 0.265 -3.827 -6.424 1.00 0.00 C ATOM 1119 O PRO A 73 0.894 -4.086 -7.431 1.00 0.00 O ATOM 1120 CB PRO A 73 0.953 -5.722 -4.912 1.00 0.00 C ATOM 1121 CG PRO A 73 0.459 -7.133 -4.817 1.00 0.00 C ATOM 1122 CD PRO A 73 -0.603 -7.314 -5.875 1.00 0.00 C ATOM 0 HA PRO A 73 -0.800 -4.434 -4.709 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.829 -5.653 -5.557 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.247 -5.340 -3.934 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.277 -7.837 -4.971 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.050 -7.330 -3.826 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.220 -7.865 -6.734 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.456 -7.874 -5.492 1.00 0.00 H new ATOM 1130 N THR A 74 -0.106 -2.606 -6.154 1.00 0.00 N ATOM 1131 CA THR A 74 0.243 -1.501 -7.091 1.00 0.00 C ATOM 1132 C THR A 74 1.099 -0.452 -6.378 1.00 0.00 C ATOM 1133 O THR A 74 0.751 0.034 -5.321 1.00 0.00 O ATOM 1134 CB THR A 74 -1.103 -0.902 -7.501 1.00 0.00 C ATOM 1135 OG1 THR A 74 -1.892 -1.900 -8.134 1.00 0.00 O ATOM 1136 CG2 THR A 74 -0.875 0.261 -8.468 1.00 0.00 C ATOM 0 H THR A 74 -0.634 -2.326 -5.328 1.00 0.00 H new ATOM 0 HA THR A 74 0.819 -1.849 -7.949 1.00 0.00 H new ATOM 0 HB THR A 74 -1.622 -0.537 -6.615 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.039 -1.655 -9.071 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.836 0.686 -8.759 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.272 1.027 -7.980 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.355 -0.100 -9.355 1.00 0.00 H new ATOM 1144 N GLY A 75 2.199 -0.077 -6.967 1.00 0.00 N ATOM 1145 CA GLY A 75 3.056 0.967 -6.343 1.00 0.00 C ATOM 1146 C GLY A 75 4.530 0.557 -6.456 1.00 0.00 C ATOM 1147 O GLY A 75 4.854 -0.383 -7.153 1.00 0.00 O ATOM 0 H GLY A 75 2.541 -0.448 -7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.896 1.926 -6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.783 1.098 -5.296 1.00 0.00 H new ATOM 1151 N PRO A 76 5.387 1.300 -5.794 1.00 0.00 N ATOM 1152 CA PRO A 76 4.943 2.444 -4.952 1.00 0.00 C ATOM 1153 C PRO A 76 4.383 3.567 -5.833 1.00 0.00 C ATOM 1154 O PRO A 76 4.618 3.604 -7.024 1.00 0.00 O ATOM 1155 CB PRO A 76 6.217 2.872 -4.225 1.00 0.00 C ATOM 1156 CG PRO A 76 7.335 2.393 -5.095 1.00 0.00 C ATOM 1157 CD PRO A 76 6.847 1.142 -5.777 1.00 0.00 C ATOM 0 HA PRO A 76 4.142 2.189 -4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.253 3.954 -4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.272 2.429 -3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.608 3.152 -5.828 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.226 2.188 -4.502 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.252 1.052 -6.785 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.146 0.247 -5.232 1.00 0.00 H new ATOM 1165 N LEU A 77 3.507 4.373 -5.295 1.00 0.00 N ATOM 1166 CA LEU A 77 2.780 5.358 -6.150 1.00 0.00 C ATOM 1167 C LEU A 77 2.792 6.745 -5.502 1.00 0.00 C ATOM 1168 O LEU A 77 2.967 6.882 -4.310 1.00 0.00 O ATOM 1169 CB LEU A 77 1.349 4.826 -6.226 1.00 0.00 C ATOM 1170 CG LEU A 77 0.500 5.765 -7.087 1.00 0.00 C ATOM 1171 CD1 LEU A 77 0.862 5.570 -8.561 1.00 0.00 C ATOM 1172 CD2 LEU A 77 -0.983 5.452 -6.877 1.00 0.00 C ATOM 0 H LEU A 77 3.264 4.393 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 77 3.239 5.464 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.345 3.822 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.924 4.750 -5.225 1.00 0.00 H new ATOM 0 HG LEU A 77 0.695 6.798 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.258 6.238 -9.175 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.918 5.796 -8.709 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.668 4.537 -8.850 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.586 6.121 -7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.181 4.419 -7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.239 5.592 -5.827 1.00 0.00 H new ATOM 1184 N HIS A 78 2.611 7.775 -6.284 1.00 0.00 N ATOM 1185 CA HIS A 78 2.618 9.154 -5.715 1.00 0.00 C ATOM 1186 C HIS A 78 1.470 9.334 -4.721 1.00 0.00 C ATOM 1187 O HIS A 78 0.320 9.095 -5.035 1.00 0.00 O ATOM 1188 CB HIS A 78 2.423 10.082 -6.914 1.00 0.00 C ATOM 1189 CG HIS A 78 3.669 10.093 -7.750 1.00 0.00 C ATOM 1190 ND1 HIS A 78 3.734 9.475 -8.988 1.00 0.00 N ATOM 1191 CD2 HIS A 78 4.907 10.647 -7.540 1.00 0.00 C ATOM 1192 CE1 HIS A 78 4.974 9.670 -9.474 1.00 0.00 C ATOM 1193 NE2 HIS A 78 5.731 10.378 -8.630 1.00 0.00 N ATOM 0 H HIS A 78 2.459 7.722 -7.291 1.00 0.00 H new ATOM 0 HA HIS A 78 3.542 9.363 -5.175 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.575 9.747 -7.512 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.193 11.091 -6.572 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.198 11.206 -6.663 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.316 9.300 -10.429 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.703 10.660 -8.757 1.00 0.00 H new ATOM 1201 N THR A 79 1.758 9.883 -3.575 1.00 0.00 N ATOM 1202 CA THR A 79 0.669 10.232 -2.618 1.00 0.00 C ATOM 1203 C THR A 79 1.065 11.470 -1.811 1.00 0.00 C ATOM 1204 O THR A 79 2.226 11.814 -1.717 1.00 0.00 O ATOM 1205 CB THR A 79 0.522 9.012 -1.703 1.00 0.00 C ATOM 1206 OG1 THR A 79 -0.436 9.297 -0.692 1.00 0.00 O ATOM 1207 CG2 THR A 79 1.868 8.685 -1.056 1.00 0.00 C ATOM 0 H THR A 79 2.702 10.106 -3.258 1.00 0.00 H new ATOM 0 HA THR A 79 -0.268 10.464 -3.125 1.00 0.00 H new ATOM 0 HB THR A 79 0.191 8.156 -2.291 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.874 8.466 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.758 7.817 -0.406 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.601 8.467 -1.832 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.206 9.538 -0.467 1.00 0.00 H new ATOM 1215 N GLN A 80 0.111 12.153 -1.246 1.00 0.00 N ATOM 1216 CA GLN A 80 0.438 13.384 -0.468 1.00 0.00 C ATOM 1217 C GLN A 80 1.373 13.039 0.696 1.00 0.00 C ATOM 1218 O GLN A 80 2.097 13.879 1.192 1.00 0.00 O ATOM 1219 CB GLN A 80 -0.906 13.897 0.054 1.00 0.00 C ATOM 1220 CG GLN A 80 -1.730 14.439 -1.116 1.00 0.00 C ATOM 1221 CD GLN A 80 -3.075 14.952 -0.599 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -3.144 15.564 0.449 1.00 0.00 O ATOM 1223 NE2 GLN A 80 -4.156 14.729 -1.295 1.00 0.00 N ATOM 0 H GLN A 80 -0.880 11.915 -1.288 1.00 0.00 H new ATOM 0 HA GLN A 80 0.948 14.132 -1.075 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.447 13.092 0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.746 14.680 0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.189 15.244 -1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.888 13.655 -1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.099 14.216 -2.175 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.058 15.068 -0.960 1.00 0.00 H new ATOM 1232 N PHE A 81 1.313 11.827 1.174 1.00 0.00 N ATOM 1233 CA PHE A 81 2.142 11.444 2.355 1.00 0.00 C ATOM 1234 C PHE A 81 3.519 10.940 1.909 1.00 0.00 C ATOM 1235 O PHE A 81 4.344 10.570 2.719 1.00 0.00 O ATOM 1236 CB PHE A 81 1.357 10.317 3.025 1.00 0.00 C ATOM 1237 CG PHE A 81 0.094 10.874 3.633 1.00 0.00 C ATOM 1238 CD1 PHE A 81 -1.046 11.054 2.837 1.00 0.00 C ATOM 1239 CD2 PHE A 81 0.058 11.206 4.994 1.00 0.00 C ATOM 1240 CE1 PHE A 81 -2.221 11.568 3.401 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -1.117 11.720 5.559 1.00 0.00 C ATOM 1242 CZ PHE A 81 -2.258 11.901 4.763 1.00 0.00 C ATOM 0 H PHE A 81 0.725 11.083 0.798 1.00 0.00 H new ATOM 0 HA PHE A 81 2.319 12.286 3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.112 9.546 2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.966 9.844 3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.018 10.796 1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.936 11.066 5.607 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.098 11.708 2.787 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.144 11.977 6.608 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.164 12.296 5.198 1.00 0.00 H new ATOM 1252 N GLY A 82 3.759 10.885 0.627 1.00 0.00 N ATOM 1253 CA GLY A 82 5.065 10.359 0.137 1.00 0.00 C ATOM 1254 C GLY A 82 4.814 9.297 -0.935 1.00 0.00 C ATOM 1255 O GLY A 82 4.133 9.539 -1.913 1.00 0.00 O ATOM 0 H GLY A 82 3.109 11.181 -0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.666 11.171 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.631 9.930 0.964 1.00 0.00 H new ATOM 1259 N TYR A 83 5.328 8.111 -0.745 1.00 0.00 N ATOM 1260 CA TYR A 83 5.080 7.023 -1.734 1.00 0.00 C ATOM 1261 C TYR A 83 4.243 5.909 -1.096 1.00 0.00 C ATOM 1262 O TYR A 83 4.640 5.306 -0.118 1.00 0.00 O ATOM 1263 CB TYR A 83 6.467 6.506 -2.113 1.00 0.00 C ATOM 1264 CG TYR A 83 7.211 7.581 -2.869 1.00 0.00 C ATOM 1265 CD1 TYR A 83 8.000 8.507 -2.174 1.00 0.00 C ATOM 1266 CD2 TYR A 83 7.111 7.652 -4.267 1.00 0.00 C ATOM 1267 CE1 TYR A 83 8.691 9.505 -2.876 1.00 0.00 C ATOM 1268 CE2 TYR A 83 7.801 8.650 -4.968 1.00 0.00 C ATOM 1269 CZ TYR A 83 8.591 9.577 -4.274 1.00 0.00 C ATOM 1270 OH TYR A 83 9.270 10.560 -4.964 1.00 0.00 O ATOM 0 H TYR A 83 5.908 7.849 0.052 1.00 0.00 H new ATOM 0 HA TYR A 83 4.527 7.375 -2.605 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.021 6.226 -1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.378 5.609 -2.726 1.00 0.00 H new ATOM 0 HD1 TYR A 83 8.076 8.452 -1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.503 6.938 -4.802 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.300 10.218 -2.341 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.724 8.705 -6.044 1.00 0.00 H new ATOM 0 HH TYR A 83 9.094 10.467 -5.924 1.00 0.00 H new ATOM 1280 N HIS A 84 3.112 5.603 -1.668 1.00 0.00 N ATOM 1281 CA HIS A 84 2.272 4.494 -1.119 1.00 0.00 C ATOM 1282 C HIS A 84 2.287 3.287 -2.055 1.00 0.00 C ATOM 1283 O HIS A 84 1.675 3.313 -3.104 1.00 0.00 O ATOM 1284 CB HIS A 84 0.845 5.048 -1.028 1.00 0.00 C ATOM 1285 CG HIS A 84 0.715 5.925 0.184 1.00 0.00 C ATOM 1286 ND1 HIS A 84 -0.396 6.726 0.401 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.546 6.140 1.251 1.00 0.00 C ATOM 1288 CE1 HIS A 84 -0.203 7.379 1.560 1.00 0.00 C ATOM 1289 NE2 HIS A 84 0.966 7.059 2.122 1.00 0.00 N ATOM 0 H HIS A 84 2.731 6.070 -2.491 1.00 0.00 H new ATOM 0 HA HIS A 84 2.650 4.165 -0.151 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.608 5.617 -1.927 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.130 4.228 -0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.507 5.668 1.395 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.908 8.078 1.985 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.350 7.411 2.999 1.00 0.00 H new ATOM 1297 N ILE A 85 2.733 2.158 -1.577 1.00 0.00 N ATOM 1298 CA ILE A 85 2.468 0.908 -2.345 1.00 0.00 C ATOM 1299 C ILE A 85 1.332 0.135 -1.667 1.00 0.00 C ATOM 1300 O ILE A 85 1.389 -0.153 -0.486 1.00 0.00 O ATOM 1301 CB ILE A 85 3.784 0.117 -2.332 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.781 -0.885 -3.492 1.00 0.00 C ATOM 1303 CG2 ILE A 85 3.932 -0.642 -1.010 1.00 0.00 C ATOM 1304 CD1 ILE A 85 5.221 -1.223 -3.892 1.00 0.00 C ATOM 0 H ILE A 85 3.257 2.046 -0.709 1.00 0.00 H new ATOM 0 HA ILE A 85 2.156 1.101 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 85 4.618 0.811 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.253 -1.792 -3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.246 -0.466 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.869 -1.199 -1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.934 0.067 -0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.099 -1.335 -0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.212 -1.936 -4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.735 -0.314 -4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.742 -1.661 -3.040 1.00 0.00 H new ATOM 1316 N ILE A 86 0.233 -0.037 -2.346 1.00 0.00 N ATOM 1317 CA ILE A 86 -0.970 -0.596 -1.667 1.00 0.00 C ATOM 1318 C ILE A 86 -1.336 -1.966 -2.240 1.00 0.00 C ATOM 1319 O ILE A 86 -1.541 -2.124 -3.427 1.00 0.00 O ATOM 1320 CB ILE A 86 -2.086 0.414 -1.934 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.693 1.774 -1.353 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.379 -0.068 -1.273 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.682 2.838 -1.830 1.00 0.00 C ATOM 0 H ILE A 86 0.115 0.183 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.798 -0.745 -0.601 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.241 0.509 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.689 1.729 -0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.682 2.036 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.175 0.652 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.660 -1.037 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.225 -0.163 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.402 3.807 -1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.664 2.890 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.686 2.577 -1.496 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.531 -2.929 -1.382 1.00 0.00 N ATOM 1336 CA LYS A 87 -2.016 -4.261 -1.838 1.00 0.00 C ATOM 1337 C LYS A 87 -3.523 -4.367 -1.575 1.00 0.00 C ATOM 1338 O LYS A 87 -3.980 -4.151 -0.470 1.00 0.00 O ATOM 1339 CB LYS A 87 -1.242 -5.262 -0.981 1.00 0.00 C ATOM 1340 CG LYS A 87 -1.646 -6.689 -1.351 1.00 0.00 C ATOM 1341 CD LYS A 87 -0.949 -7.665 -0.400 1.00 0.00 C ATOM 1342 CE LYS A 87 -0.752 -9.011 -1.098 1.00 0.00 C ATOM 1343 NZ LYS A 87 -1.917 -9.836 -0.671 1.00 0.00 N ATOM 0 H LYS A 87 -1.374 -2.849 -0.377 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.862 -4.436 -2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.170 -5.128 -1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.442 -5.081 0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.728 -6.804 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.367 -6.904 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.015 -7.261 -0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.545 -7.796 0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.726 -8.895 -2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.190 -9.475 -0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.618 -10.501 0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.664 -9.215 -0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.283 -10.368 -1.486 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.305 -4.578 -2.598 1.00 0.00 N ATOM 1358 CA VAL A 88 -5.788 -4.553 -2.419 1.00 0.00 C ATOM 1359 C VAL A 88 -6.346 -5.976 -2.348 1.00 0.00 C ATOM 1360 O VAL A 88 -5.938 -6.852 -3.084 1.00 0.00 O ATOM 1361 CB VAL A 88 -6.325 -3.831 -3.655 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -7.852 -3.776 -3.588 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.764 -2.407 -3.698 1.00 0.00 C ATOM 0 H VAL A 88 -3.984 -4.766 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.078 -4.055 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.019 -4.369 -4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.237 -3.261 -4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.252 -4.790 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.158 -3.238 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.146 -1.892 -4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.070 -1.868 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.676 -2.446 -3.744 1.00 0.00 H new ATOM 1373 N LEU A 89 -7.286 -6.209 -1.470 1.00 0.00 N ATOM 1374 CA LEU A 89 -7.882 -7.564 -1.355 1.00 0.00 C ATOM 1375 C LEU A 89 -9.407 -7.447 -1.175 1.00 0.00 C ATOM 1376 O LEU A 89 -9.869 -6.896 -0.198 1.00 0.00 O ATOM 1377 CB LEU A 89 -7.252 -8.161 -0.099 1.00 0.00 C ATOM 1378 CG LEU A 89 -5.728 -8.174 -0.243 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -5.099 -8.739 1.032 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -5.336 -9.049 -1.436 1.00 0.00 C ATOM 0 H LEU A 89 -7.665 -5.514 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.701 -8.176 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.539 -7.578 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.621 -9.175 0.058 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.370 -7.157 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.014 -8.748 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.378 -8.116 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.457 -9.756 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.251 -9.059 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.694 -10.066 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.783 -8.647 -2.345 1.00 0.00 H new ATOM 1392 N TYR A 90 -10.178 -8.021 -2.070 1.00 0.00 N ATOM 1393 CA TYR A 90 -11.678 -8.047 -1.937 1.00 0.00 C ATOM 1394 C TYR A 90 -12.302 -6.738 -2.435 1.00 0.00 C ATOM 1395 O TYR A 90 -13.451 -6.706 -2.833 1.00 0.00 O ATOM 1396 CB TYR A 90 -11.994 -8.267 -0.452 1.00 0.00 C ATOM 1397 CG TYR A 90 -11.056 -9.303 0.123 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -10.639 -10.389 -0.663 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -10.599 -9.177 1.441 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -9.765 -11.346 -0.128 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -9.726 -10.135 1.976 1.00 0.00 C ATOM 1402 CZ TYR A 90 -9.309 -11.219 1.191 1.00 0.00 C ATOM 1403 OH TYR A 90 -8.448 -12.162 1.718 1.00 0.00 O ATOM 0 H TYR A 90 -9.825 -8.484 -2.907 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.099 -8.847 -2.547 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.893 -7.329 0.094 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.027 -8.594 -0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.991 -10.487 -1.679 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.919 -8.341 2.046 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.443 -12.181 -0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.375 -10.038 2.993 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.229 -11.924 2.643 1.00 0.00 H new ATOM 1413 N ARG A 91 -11.566 -5.659 -2.425 1.00 0.00 N ATOM 1414 CA ARG A 91 -12.135 -4.364 -2.904 1.00 0.00 C ATOM 1415 C ARG A 91 -13.413 -4.021 -2.125 1.00 0.00 C ATOM 1416 O ARG A 91 -14.021 -4.873 -1.508 1.00 0.00 O ATOM 1417 CB ARG A 91 -12.464 -4.606 -4.380 1.00 0.00 C ATOM 1418 CG ARG A 91 -12.826 -3.282 -5.057 1.00 0.00 C ATOM 1419 CD ARG A 91 -13.389 -3.557 -6.452 1.00 0.00 C ATOM 1420 NE ARG A 91 -12.229 -4.037 -7.253 1.00 0.00 N ATOM 1421 CZ ARG A 91 -12.422 -4.572 -8.431 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -13.631 -4.674 -8.917 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -11.404 -5.003 -9.124 1.00 0.00 N ATOM 0 H ARG A 91 -10.598 -5.617 -2.107 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.444 -3.533 -2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.610 -5.060 -4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -13.294 -5.307 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.560 -2.744 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.944 -2.645 -5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -14.180 -4.306 -6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.822 -2.656 -6.887 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.283 -3.948 -6.883 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.428 -4.336 -8.377 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.778 -5.092 -9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.460 -4.923 -8.747 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.553 -5.420 -10.043 1.00 0.00 H new