USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 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 55 HIS :FLIP no HE2:sc= -4.65! C(o=-6.9!,f=-5.7!) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 47 TYR OH : rot -73:sc= 0.444 USER MOD Single : A 48 SER OG : rot -130:sc= -0.192 USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0379) USER MOD Single : A 54 THR OG1 : rot 75:sc= 0.402 USER MOD Single : A 57 SER OG : rot 37:sc= -0.898 USER MOD Single : A 58 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 65 THR OG1 : rot -77:sc= 0.714 USER MOD Single : A 68 MET CE :methyl -178:sc= -1.01 (180deg=-1.11) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -120:sc= -3.62 USER MOD Single : A 76 TYR OH : rot 178:sc= -1.22 USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0463) USER MOD Single : A 80 SER OG : rot 70:sc= 0.242 USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= -0.0374 (180deg=-0.274) USER MOD Single : A 84 LYS NZ :NH3+ -128:sc= -0.1 (180deg=-0.618) USER MOD Single : A 85 GLN : amide:sc= -0.603 K(o=-0.6,f=-2.4!) USER MOD Single : A 92 THR OG1 : rot -150:sc= -3.81! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-0.99) USER MOD Single : A 96 GLN : amide:sc= -0.263 K(o=-0.26,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 54 N TYR A 47 -4.240 4.890 5.991 1.00 0.00 N ATOM 55 CA TYR A 47 -3.903 3.604 5.389 1.00 0.00 C ATOM 56 C TYR A 47 -3.629 2.565 6.470 1.00 0.00 C ATOM 57 O TYR A 47 -2.486 2.165 6.690 1.00 0.00 O ATOM 58 CB TYR A 47 -2.682 3.747 4.478 1.00 0.00 C ATOM 59 CG TYR A 47 -2.992 4.387 3.143 1.00 0.00 C ATOM 60 CD1 TYR A 47 -4.103 4.000 2.404 1.00 0.00 C ATOM 61 CD2 TYR A 47 -2.172 5.380 2.621 1.00 0.00 C ATOM 62 CE1 TYR A 47 -4.388 4.584 1.185 1.00 0.00 C ATOM 63 CE2 TYR A 47 -2.451 5.969 1.403 1.00 0.00 C ATOM 64 CZ TYR A 47 -3.559 5.567 0.688 1.00 0.00 C ATOM 65 OH TYR A 47 -3.840 6.151 -0.525 1.00 0.00 O ATOM 0 HA TYR A 47 -4.751 3.271 4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.926 4.342 4.990 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.250 2.761 4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.755 3.230 2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.302 5.697 3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.256 4.272 0.624 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.804 6.741 1.013 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.644 5.517 -1.246 1.00 0.00 H new ATOM 75 N SER A 48 -4.690 2.135 7.140 1.00 0.00 N ATOM 76 CA SER A 48 -4.577 1.142 8.201 1.00 0.00 C ATOM 77 C SER A 48 -4.308 -0.236 7.618 1.00 0.00 C ATOM 78 O SER A 48 -3.349 -0.908 7.994 1.00 0.00 O ATOM 79 CB SER A 48 -5.854 1.114 9.043 1.00 0.00 C ATOM 80 OG SER A 48 -6.994 0.882 8.234 1.00 0.00 O ATOM 0 H SER A 48 -5.642 2.459 6.967 1.00 0.00 H new ATOM 0 HA SER A 48 -3.739 1.419 8.840 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.777 0.334 9.800 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.966 2.061 9.571 1.00 0.00 H new ATOM 0 HG SER A 48 -7.681 1.551 8.437 1.00 0.00 H new ATOM 86 N GLU A 49 -5.171 -0.642 6.694 1.00 0.00 N ATOM 87 CA GLU A 49 -5.064 -1.934 6.033 1.00 0.00 C ATOM 88 C GLU A 49 -6.347 -2.239 5.266 1.00 0.00 C ATOM 89 O GLU A 49 -6.308 -2.781 4.164 1.00 0.00 O ATOM 90 CB GLU A 49 -4.797 -3.042 7.054 1.00 0.00 C ATOM 91 CG GLU A 49 -5.832 -3.114 8.164 1.00 0.00 C ATOM 92 CD GLU A 49 -5.213 -3.387 9.521 1.00 0.00 C ATOM 93 OE1 GLU A 49 -4.070 -2.940 9.753 1.00 0.00 O ATOM 94 OE2 GLU A 49 -5.872 -4.046 10.352 1.00 0.00 O ATOM 0 H GLU A 49 -5.965 -0.083 6.383 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.228 -1.893 5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.766 -4.001 6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.813 -2.886 7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.384 -2.175 8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.553 -3.898 7.933 1.00 0.00 H new ATOM 101 N GLU A 50 -7.482 -1.883 5.860 1.00 0.00 N ATOM 102 CA GLU A 50 -8.783 -2.112 5.237 1.00 0.00 C ATOM 103 C GLU A 50 -8.855 -1.470 3.858 1.00 0.00 C ATOM 104 O GLU A 50 -9.100 -2.150 2.862 1.00 0.00 O ATOM 105 CB GLU A 50 -9.904 -1.573 6.128 1.00 0.00 C ATOM 106 CG GLU A 50 -9.630 -0.184 6.690 1.00 0.00 C ATOM 107 CD GLU A 50 -9.908 -0.091 8.178 1.00 0.00 C ATOM 108 OE1 GLU A 50 -9.720 -1.106 8.881 1.00 0.00 O ATOM 109 OE2 GLU A 50 -10.313 0.997 8.639 1.00 0.00 O ATOM 0 H GLU A 50 -7.528 -1.434 6.774 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.911 -3.188 5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.830 -1.546 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.062 -2.265 6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.590 0.081 6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.246 0.545 6.163 1.00 0.00 H new ATOM 116 N GLU A 51 -8.633 -0.161 3.797 1.00 0.00 N ATOM 117 CA GLU A 51 -8.668 0.545 2.526 1.00 0.00 C ATOM 118 C GLU A 51 -7.631 -0.051 1.589 1.00 0.00 C ATOM 119 O GLU A 51 -7.885 -0.242 0.401 1.00 0.00 O ATOM 120 CB GLU A 51 -8.403 2.039 2.732 1.00 0.00 C ATOM 121 CG GLU A 51 -9.347 2.937 1.949 1.00 0.00 C ATOM 122 CD GLU A 51 -10.699 3.086 2.618 1.00 0.00 C ATOM 123 OE1 GLU A 51 -10.776 3.782 3.652 1.00 0.00 O ATOM 124 OE2 GLU A 51 -11.681 2.508 2.107 1.00 0.00 O ATOM 0 H GLU A 51 -8.429 0.426 4.606 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.659 0.435 2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.490 2.272 3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.377 2.261 2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.893 3.921 1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.484 2.529 0.948 1.00 0.00 H new ATOM 131 N LEU A 52 -6.468 -0.366 2.147 1.00 0.00 N ATOM 132 CA LEU A 52 -5.391 -0.969 1.380 1.00 0.00 C ATOM 133 C LEU A 52 -5.847 -2.293 0.783 1.00 0.00 C ATOM 134 O LEU A 52 -5.726 -2.518 -0.421 1.00 0.00 O ATOM 135 CB LEU A 52 -4.164 -1.178 2.263 1.00 0.00 C ATOM 136 CG LEU A 52 -3.706 0.072 3.010 1.00 0.00 C ATOM 137 CD1 LEU A 52 -2.661 -0.280 4.059 1.00 0.00 C ATOM 138 CD2 LEU A 52 -3.164 1.102 2.031 1.00 0.00 C ATOM 0 H LEU A 52 -6.249 -0.212 3.131 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.122 -0.295 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.383 -1.961 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.343 -1.538 1.644 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.565 0.503 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.349 0.625 4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.087 -0.982 4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.798 -0.736 3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.841 1.988 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.317 0.680 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.945 1.377 1.323 1.00 0.00 H new ATOM 150 N LYS A 53 -6.393 -3.165 1.631 1.00 0.00 N ATOM 151 CA LYS A 53 -6.888 -4.458 1.174 1.00 0.00 C ATOM 152 C LYS A 53 -7.866 -4.260 0.029 1.00 0.00 C ATOM 153 O LYS A 53 -7.760 -4.902 -1.016 1.00 0.00 O ATOM 154 CB LYS A 53 -7.569 -5.214 2.315 1.00 0.00 C ATOM 155 CG LYS A 53 -7.800 -6.685 2.011 1.00 0.00 C ATOM 156 CD LYS A 53 -8.009 -7.488 3.282 1.00 0.00 C ATOM 157 CE LYS A 53 -7.648 -8.950 3.087 1.00 0.00 C ATOM 158 NZ LYS A 53 -8.479 -9.591 2.030 1.00 0.00 N ATOM 0 H LYS A 53 -6.502 -2.999 2.631 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.040 -5.049 0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.958 -5.128 3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.526 -4.741 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.671 -6.792 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.946 -7.083 1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.402 -7.067 4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.050 -7.409 3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.594 -9.031 2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.780 -9.485 4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.299 -10.615 2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.485 -9.418 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.234 -9.187 1.103 1.00 0.00 H new ATOM 172 N THR A 54 -8.810 -3.343 0.228 1.00 0.00 N ATOM 173 CA THR A 54 -9.797 -3.036 -0.797 1.00 0.00 C ATOM 174 C THR A 54 -9.089 -2.623 -2.078 1.00 0.00 C ATOM 175 O THR A 54 -9.458 -3.043 -3.175 1.00 0.00 O ATOM 176 CB THR A 54 -10.734 -1.923 -0.328 1.00 0.00 C ATOM 177 OG1 THR A 54 -11.372 -2.281 0.885 1.00 0.00 O ATOM 178 CG2 THR A 54 -11.814 -1.585 -1.333 1.00 0.00 C ATOM 0 H THR A 54 -8.910 -2.803 1.087 1.00 0.00 H new ATOM 0 HA THR A 54 -10.396 -3.927 -0.987 1.00 0.00 H new ATOM 0 HB THR A 54 -10.098 -1.048 -0.196 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.732 -2.212 1.624 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.443 -0.788 -0.937 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.354 -1.255 -2.264 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.424 -2.468 -1.523 1.00 0.00 H new ATOM 186 N HIS A 55 -8.048 -1.814 -1.918 1.00 0.00 N ATOM 187 CA HIS A 55 -7.253 -1.358 -3.046 1.00 0.00 C ATOM 188 C HIS A 55 -6.636 -2.558 -3.754 1.00 0.00 C ATOM 189 O HIS A 55 -6.736 -2.698 -4.973 1.00 0.00 O ATOM 190 CB HIS A 55 -6.156 -0.404 -2.567 1.00 0.00 C ATOM 191 CG HIS A 55 -6.676 0.761 -1.785 1.00 0.00 C ATOM 192 ND1 HIS A 55 -6.080 1.537 -0.848 1.00 0.00 N flip ATOM 193 CD2 HIS A 55 -7.958 1.251 -1.925 1.00 0.00 C flip ATOM 194 CE1 HIS A 55 -7.004 2.470 -0.446 1.00 0.00 C flip ATOM 195 NE2 HIS A 55 -8.127 2.277 -1.110 1.00 0.00 N flip ATOM 0 H HIS A 55 -7.736 -1.461 -1.013 1.00 0.00 H new ATOM 0 HA HIS A 55 -7.896 -0.823 -3.745 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.448 -0.958 -1.951 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.605 -0.034 -3.431 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.124 1.445 -0.505 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.707 0.857 -2.596 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -6.838 3.238 0.295 1.00 0.00 H new ATOM 204 N ILE A 56 -6.008 -3.428 -2.968 1.00 0.00 N ATOM 205 CA ILE A 56 -5.381 -4.632 -3.498 1.00 0.00 C ATOM 206 C ILE A 56 -6.392 -5.494 -4.252 1.00 0.00 C ATOM 207 O ILE A 56 -6.138 -5.926 -5.377 1.00 0.00 O ATOM 208 CB ILE A 56 -4.729 -5.472 -2.379 1.00 0.00 C ATOM 209 CG1 ILE A 56 -3.760 -4.611 -1.565 1.00 0.00 C ATOM 210 CG2 ILE A 56 -4.005 -6.674 -2.969 1.00 0.00 C ATOM 211 CD1 ILE A 56 -3.706 -4.984 -0.099 1.00 0.00 C ATOM 0 H ILE A 56 -5.920 -3.320 -1.958 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.604 -4.304 -4.189 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.514 -5.834 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.761 -4.700 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.053 -3.565 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.551 -7.255 -2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.716 -7.297 -3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.228 -6.331 -3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.000 -4.333 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.696 -4.867 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.384 -6.020 0.001 1.00 0.00 H new ATOM 223 N SER A 57 -7.537 -5.746 -3.620 1.00 0.00 N ATOM 224 CA SER A 57 -8.585 -6.564 -4.225 1.00 0.00 C ATOM 225 C SER A 57 -8.970 -6.048 -5.609 1.00 0.00 C ATOM 226 O SER A 57 -8.673 -6.681 -6.622 1.00 0.00 O ATOM 227 CB SER A 57 -9.819 -6.598 -3.322 1.00 0.00 C ATOM 228 OG SER A 57 -9.941 -5.398 -2.579 1.00 0.00 O ATOM 0 H SER A 57 -7.762 -5.395 -2.689 1.00 0.00 H new ATOM 0 HA SER A 57 -8.191 -7.574 -4.338 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.713 -6.747 -3.928 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.751 -7.446 -2.640 1.00 0.00 H new ATOM 0 HG SER A 57 -9.657 -4.640 -3.132 1.00 0.00 H new ATOM 234 N LYS A 58 -9.639 -4.900 -5.643 1.00 0.00 N ATOM 235 CA LYS A 58 -10.072 -4.305 -6.903 1.00 0.00 C ATOM 236 C LYS A 58 -8.879 -3.983 -7.798 1.00 0.00 C ATOM 237 O LYS A 58 -8.596 -4.706 -8.753 1.00 0.00 O ATOM 238 CB LYS A 58 -10.885 -3.035 -6.637 1.00 0.00 C ATOM 239 CG LYS A 58 -12.190 -3.291 -5.900 1.00 0.00 C ATOM 240 CD LYS A 58 -12.875 -1.990 -5.514 1.00 0.00 C ATOM 241 CE LYS A 58 -14.341 -2.211 -5.178 1.00 0.00 C ATOM 242 NZ LYS A 58 -15.107 -0.935 -5.166 1.00 0.00 N ATOM 0 H LYS A 58 -9.893 -4.363 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.700 -5.031 -7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.279 -2.341 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.104 -2.548 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.855 -3.881 -6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.994 -3.880 -5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.366 -1.550 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.792 -1.277 -6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.782 -2.892 -5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.421 -2.692 -4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.102 -1.129 -4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.703 -0.294 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.052 -0.488 -6.104 1.00 0.00 H new ATOM 256 N GLY A 59 -8.183 -2.896 -7.483 1.00 0.00 N ATOM 257 CA GLY A 59 -7.029 -2.504 -8.272 1.00 0.00 C ATOM 258 C GLY A 59 -6.779 -1.007 -8.244 1.00 0.00 C ATOM 259 O GLY A 59 -6.350 -0.425 -9.240 1.00 0.00 O ATOM 0 H GLY A 59 -8.396 -2.281 -6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.146 -3.022 -7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.174 -2.824 -9.304 1.00 0.00 H new ATOM 263 N THR A 60 -7.040 -0.384 -7.099 1.00 0.00 N ATOM 264 CA THR A 60 -6.833 1.051 -6.944 1.00 0.00 C ATOM 265 C THR A 60 -5.529 1.337 -6.204 1.00 0.00 C ATOM 266 O THR A 60 -5.047 2.470 -6.194 1.00 0.00 O ATOM 267 CB THR A 60 -8.008 1.681 -6.195 1.00 0.00 C ATOM 268 OG1 THR A 60 -8.324 0.932 -5.035 1.00 0.00 O ATOM 269 CG2 THR A 60 -9.265 1.784 -7.032 1.00 0.00 C ATOM 0 H THR A 60 -7.395 -0.851 -6.265 1.00 0.00 H new ATOM 0 HA THR A 60 -6.769 1.492 -7.939 1.00 0.00 H new ATOM 0 HB THR A 60 -7.679 2.688 -5.937 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.077 1.352 -4.569 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.059 2.239 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.068 2.399 -7.910 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.574 0.788 -7.349 1.00 0.00 H new ATOM 277 N LEU A 61 -4.957 0.304 -5.588 1.00 0.00 N ATOM 278 CA LEU A 61 -3.707 0.452 -4.853 1.00 0.00 C ATOM 279 C LEU A 61 -2.605 0.970 -5.773 1.00 0.00 C ATOM 280 O LEU A 61 -1.661 1.622 -5.325 1.00 0.00 O ATOM 281 CB LEU A 61 -3.292 -0.884 -4.235 1.00 0.00 C ATOM 282 CG LEU A 61 -2.164 -0.798 -3.206 1.00 0.00 C ATOM 283 CD1 LEU A 61 -2.688 -0.260 -1.884 1.00 0.00 C ATOM 284 CD2 LEU A 61 -1.517 -2.160 -3.010 1.00 0.00 C ATOM 0 H LEU A 61 -5.340 -0.641 -5.584 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.862 1.176 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.164 -1.333 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.983 -1.557 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.407 -0.109 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.871 -0.206 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.105 0.736 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.464 -0.924 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.717 -2.080 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.264 -2.870 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.106 -2.507 -3.958 1.00 0.00 H new ATOM 296 N GLY A 62 -2.739 0.680 -7.066 1.00 0.00 N ATOM 297 CA GLY A 62 -1.756 1.128 -8.036 1.00 0.00 C ATOM 298 C GLY A 62 -2.053 2.519 -8.564 1.00 0.00 C ATOM 299 O GLY A 62 -1.366 3.008 -9.460 1.00 0.00 O ATOM 0 H GLY A 62 -3.512 0.142 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.768 1.121 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.726 0.425 -8.869 1.00 0.00 H new ATOM 303 N LYS A 63 -3.074 3.162 -8.003 1.00 0.00 N ATOM 304 CA LYS A 63 -3.449 4.505 -8.421 1.00 0.00 C ATOM 305 C LYS A 63 -2.719 5.541 -7.577 1.00 0.00 C ATOM 306 O LYS A 63 -2.040 6.422 -8.103 1.00 0.00 O ATOM 307 CB LYS A 63 -4.962 4.700 -8.297 1.00 0.00 C ATOM 308 CG LYS A 63 -5.492 5.873 -9.108 1.00 0.00 C ATOM 309 CD LYS A 63 -6.225 6.879 -8.232 1.00 0.00 C ATOM 310 CE LYS A 63 -7.710 6.927 -8.558 1.00 0.00 C ATOM 311 NZ LYS A 63 -8.243 8.316 -8.514 1.00 0.00 N ATOM 0 H LYS A 63 -3.654 2.773 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.164 4.635 -9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.465 3.789 -8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.216 4.850 -7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.664 6.368 -9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.166 5.505 -9.882 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.090 6.615 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.789 7.868 -8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.878 6.505 -9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.258 6.305 -7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.258 8.306 -8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.106 8.710 -7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.738 8.904 -9.208 1.00 0.00 H new ATOM 325 N PHE A 64 -2.861 5.420 -6.260 1.00 0.00 N ATOM 326 CA PHE A 64 -2.212 6.336 -5.327 1.00 0.00 C ATOM 327 C PHE A 64 -0.732 6.507 -5.661 1.00 0.00 C ATOM 328 O PHE A 64 -0.089 5.588 -6.167 1.00 0.00 O ATOM 329 CB PHE A 64 -2.367 5.829 -3.893 1.00 0.00 C ATOM 330 CG PHE A 64 -3.773 5.430 -3.547 1.00 0.00 C ATOM 331 CD1 PHE A 64 -4.744 6.392 -3.320 1.00 0.00 C ATOM 332 CD2 PHE A 64 -4.123 4.093 -3.448 1.00 0.00 C ATOM 333 CE1 PHE A 64 -6.038 6.028 -3.001 1.00 0.00 C ATOM 334 CE2 PHE A 64 -5.416 3.723 -3.130 1.00 0.00 C ATOM 335 CZ PHE A 64 -6.375 4.692 -2.906 1.00 0.00 C ATOM 0 H PHE A 64 -3.422 4.694 -5.814 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.698 7.308 -5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.708 4.973 -3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.038 6.607 -3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.486 7.438 -3.393 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.377 3.332 -3.621 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.785 6.788 -2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.677 2.677 -3.057 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.386 4.405 -2.657 1.00 0.00 H new ATOM 345 N THR A 65 -0.200 7.689 -5.371 1.00 0.00 N ATOM 346 CA THR A 65 1.204 7.984 -5.635 1.00 0.00 C ATOM 347 C THR A 65 2.109 7.265 -4.640 1.00 0.00 C ATOM 348 O THR A 65 1.675 6.358 -3.930 1.00 0.00 O ATOM 349 CB THR A 65 1.443 9.494 -5.570 1.00 0.00 C ATOM 350 OG1 THR A 65 1.380 9.957 -4.233 1.00 0.00 O ATOM 351 CG2 THR A 65 0.443 10.291 -6.381 1.00 0.00 C ATOM 0 H THR A 65 -0.720 8.460 -4.952 1.00 0.00 H new ATOM 0 HA THR A 65 1.447 7.626 -6.636 1.00 0.00 H new ATOM 0 HB THR A 65 2.436 9.648 -5.992 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.443 10.022 -3.953 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.668 11.354 -6.293 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.503 9.993 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.563 10.101 -6.007 1.00 0.00 H new ATOM 359 N VAL A 66 3.369 7.678 -4.598 1.00 0.00 N ATOM 360 CA VAL A 66 4.346 7.082 -3.697 1.00 0.00 C ATOM 361 C VAL A 66 4.129 7.558 -2.257 1.00 0.00 C ATOM 362 O VAL A 66 3.926 6.740 -1.360 1.00 0.00 O ATOM 363 CB VAL A 66 5.783 7.419 -4.148 1.00 0.00 C ATOM 364 CG1 VAL A 66 6.802 7.040 -3.081 1.00 0.00 C ATOM 365 CG2 VAL A 66 6.102 6.726 -5.464 1.00 0.00 C ATOM 0 H VAL A 66 3.740 8.428 -5.181 1.00 0.00 H new ATOM 0 HA VAL A 66 4.209 6.001 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 66 5.844 8.497 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.804 7.290 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.589 7.589 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.743 5.969 -2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.119 6.974 -5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.014 5.647 -5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.402 7.060 -6.230 1.00 0.00 H new ATOM 375 N PRO A 67 4.160 8.884 -2.005 1.00 0.00 N ATOM 376 CA PRO A 67 3.956 9.429 -0.661 1.00 0.00 C ATOM 377 C PRO A 67 2.742 8.810 0.025 1.00 0.00 C ATOM 378 O PRO A 67 2.693 8.709 1.251 1.00 0.00 O ATOM 379 CB PRO A 67 3.742 10.935 -0.892 1.00 0.00 C ATOM 380 CG PRO A 67 3.664 11.117 -2.374 1.00 0.00 C ATOM 381 CD PRO A 67 4.385 9.952 -2.986 1.00 0.00 C ATOM 0 HA PRO A 67 4.800 9.216 -0.005 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.828 11.278 -0.408 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.563 11.515 -0.470 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.626 11.149 -2.707 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.124 12.059 -2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.981 9.695 -3.965 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.446 10.159 -3.123 1.00 0.00 H new ATOM 389 N MET A 68 1.773 8.379 -0.778 1.00 0.00 N ATOM 390 CA MET A 68 0.569 7.750 -0.251 1.00 0.00 C ATOM 391 C MET A 68 0.859 6.297 0.108 1.00 0.00 C ATOM 392 O MET A 68 0.566 5.846 1.215 1.00 0.00 O ATOM 393 CB MET A 68 -0.564 7.823 -1.277 1.00 0.00 C ATOM 394 CG MET A 68 -1.362 9.116 -1.212 1.00 0.00 C ATOM 395 SD MET A 68 -0.988 10.237 -2.574 1.00 0.00 S ATOM 396 CE MET A 68 -2.341 9.876 -3.691 1.00 0.00 C ATOM 0 H MET A 68 1.799 8.454 -1.795 1.00 0.00 H new ATOM 0 HA MET A 68 0.258 8.284 0.647 1.00 0.00 H new ATOM 0 HB2 MET A 68 -0.145 7.715 -2.277 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.239 6.981 -1.121 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.426 8.882 -1.222 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.155 9.618 -0.267 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.230 10.467 -4.600 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.331 8.816 -3.944 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.287 10.125 -3.210 1.00 0.00 H new ATOM 406 N LEU A 69 1.458 5.577 -0.836 1.00 0.00 N ATOM 407 CA LEU A 69 1.819 4.181 -0.627 1.00 0.00 C ATOM 408 C LEU A 69 2.815 4.062 0.521 1.00 0.00 C ATOM 409 O LEU A 69 2.739 3.140 1.334 1.00 0.00 O ATOM 410 CB LEU A 69 2.417 3.602 -1.909 1.00 0.00 C ATOM 411 CG LEU A 69 1.396 3.104 -2.934 1.00 0.00 C ATOM 412 CD1 LEU A 69 2.099 2.475 -4.126 1.00 0.00 C ATOM 413 CD2 LEU A 69 0.439 2.110 -2.292 1.00 0.00 C ATOM 0 H LEU A 69 1.704 5.941 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 69 0.923 3.617 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.038 4.365 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.075 2.775 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 69 0.819 3.958 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.357 2.127 -4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.744 3.215 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.702 1.631 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.281 1.766 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.002 1.258 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.090 2.593 -1.471 1.00 0.00 H new ATOM 425 N LYS A 70 3.742 5.014 0.585 1.00 0.00 N ATOM 426 CA LYS A 70 4.754 5.039 1.636 1.00 0.00 C ATOM 427 C LYS A 70 4.111 4.944 3.016 1.00 0.00 C ATOM 428 O LYS A 70 4.574 4.200 3.880 1.00 0.00 O ATOM 429 CB LYS A 70 5.580 6.323 1.539 1.00 0.00 C ATOM 430 CG LYS A 70 6.579 6.320 0.392 1.00 0.00 C ATOM 431 CD LYS A 70 8.013 6.359 0.897 1.00 0.00 C ATOM 432 CE LYS A 70 8.731 7.620 0.443 1.00 0.00 C ATOM 433 NZ LYS A 70 9.685 8.117 1.473 1.00 0.00 N ATOM 0 H LYS A 70 3.813 5.782 -0.083 1.00 0.00 H new ATOM 0 HA LYS A 70 5.407 4.177 1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.905 7.171 1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.116 6.472 2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.432 5.428 -0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.396 7.180 -0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.018 6.309 1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.551 5.483 0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.269 7.418 -0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.998 8.396 0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.154 8.978 1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.168 8.334 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.400 7.387 1.665 1.00 0.00 H new ATOM 447 N GLU A 71 3.040 5.707 3.212 1.00 0.00 N ATOM 448 CA GLU A 71 2.325 5.718 4.484 1.00 0.00 C ATOM 449 C GLU A 71 1.925 4.305 4.897 1.00 0.00 C ATOM 450 O GLU A 71 2.215 3.868 6.011 1.00 0.00 O ATOM 451 CB GLU A 71 1.082 6.607 4.385 1.00 0.00 C ATOM 452 CG GLU A 71 1.012 7.678 5.462 1.00 0.00 C ATOM 453 CD GLU A 71 1.908 8.865 5.163 1.00 0.00 C ATOM 454 OE1 GLU A 71 3.140 8.674 5.084 1.00 0.00 O ATOM 455 OE2 GLU A 71 1.377 9.985 5.008 1.00 0.00 O ATOM 0 H GLU A 71 2.647 6.327 2.504 1.00 0.00 H new ATOM 0 HA GLU A 71 2.993 6.122 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.065 7.086 3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.192 5.981 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.018 8.021 5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.298 7.244 6.420 1.00 0.00 H new ATOM 462 N ALA A 72 1.266 3.591 3.990 1.00 0.00 N ATOM 463 CA ALA A 72 0.838 2.224 4.261 1.00 0.00 C ATOM 464 C ALA A 72 2.032 1.348 4.616 1.00 0.00 C ATOM 465 O ALA A 72 1.975 0.548 5.550 1.00 0.00 O ATOM 466 CB ALA A 72 0.100 1.655 3.060 1.00 0.00 C ATOM 0 H ALA A 72 1.017 3.936 3.063 1.00 0.00 H new ATOM 0 HA ALA A 72 0.159 2.238 5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.214 0.634 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.777 2.267 2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.761 1.656 2.193 1.00 0.00 H new ATOM 472 N CYS A 73 3.117 1.512 3.866 1.00 0.00 N ATOM 473 CA CYS A 73 4.332 0.744 4.101 1.00 0.00 C ATOM 474 C CYS A 73 4.867 1.001 5.505 1.00 0.00 C ATOM 475 O CYS A 73 5.326 0.084 6.183 1.00 0.00 O ATOM 476 CB CYS A 73 5.395 1.101 3.060 1.00 0.00 C ATOM 477 SG CYS A 73 5.938 -0.300 2.056 1.00 0.00 S ATOM 0 H CYS A 73 3.178 2.171 3.090 1.00 0.00 H new ATOM 0 HA CYS A 73 4.091 -0.315 4.011 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.999 1.875 2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.259 1.527 3.569 1.00 0.00 H new ATOM 0 HG CYS A 73 7.216 -0.478 2.215 1.00 0.00 H new ATOM 483 N ARG A 74 4.804 2.257 5.935 1.00 0.00 N ATOM 484 CA ARG A 74 5.279 2.637 7.259 1.00 0.00 C ATOM 485 C ARG A 74 4.480 1.925 8.346 1.00 0.00 C ATOM 486 O ARG A 74 5.021 1.558 9.389 1.00 0.00 O ATOM 487 CB ARG A 74 5.178 4.152 7.443 1.00 0.00 C ATOM 488 CG ARG A 74 6.028 4.685 8.585 1.00 0.00 C ATOM 489 CD ARG A 74 5.295 4.602 9.914 1.00 0.00 C ATOM 490 NE ARG A 74 6.147 4.072 10.976 1.00 0.00 N ATOM 491 CZ ARG A 74 5.682 3.572 12.119 1.00 0.00 C ATOM 492 NH1 ARG A 74 4.375 3.534 12.352 1.00 0.00 N ATOM 493 NH2 ARG A 74 6.525 3.110 13.032 1.00 0.00 N ATOM 0 H ARG A 74 4.428 3.029 5.385 1.00 0.00 H new ATOM 0 HA ARG A 74 6.323 2.337 7.345 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.479 4.643 6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.136 4.419 7.621 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.956 4.117 8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.301 5.721 8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.940 5.594 10.195 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.415 3.968 9.804 1.00 0.00 H new ATOM 0 HE ARG A 74 7.157 4.086 10.833 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.722 3.889 11.654 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.024 3.150 13.229 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.530 3.138 12.859 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.169 2.727 13.908 1.00 0.00 H new ATOM 507 N ALA A 75 3.189 1.735 8.094 1.00 0.00 N ATOM 508 CA ALA A 75 2.313 1.068 9.049 1.00 0.00 C ATOM 509 C ALA A 75 2.485 -0.446 8.991 1.00 0.00 C ATOM 510 O ALA A 75 2.350 -1.135 10.002 1.00 0.00 O ATOM 511 CB ALA A 75 0.862 1.446 8.787 1.00 0.00 C ATOM 0 H ALA A 75 2.726 2.034 7.236 1.00 0.00 H new ATOM 0 HA ALA A 75 2.590 1.400 10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.219 0.941 9.507 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.743 2.525 8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.584 1.143 7.777 1.00 0.00 H new ATOM 517 N TYR A 76 2.782 -0.958 7.800 1.00 0.00 N ATOM 518 CA TYR A 76 2.969 -2.394 7.613 1.00 0.00 C ATOM 519 C TYR A 76 4.399 -2.813 7.948 1.00 0.00 C ATOM 520 O TYR A 76 4.642 -3.946 8.364 1.00 0.00 O ATOM 521 CB TYR A 76 2.636 -2.789 6.173 1.00 0.00 C ATOM 522 CG TYR A 76 1.171 -3.093 5.950 1.00 0.00 C ATOM 523 CD1 TYR A 76 0.187 -2.202 6.359 1.00 0.00 C ATOM 524 CD2 TYR A 76 0.774 -4.271 5.331 1.00 0.00 C ATOM 525 CE1 TYR A 76 -1.153 -2.477 6.157 1.00 0.00 C ATOM 526 CE2 TYR A 76 -0.563 -4.553 5.125 1.00 0.00 C ATOM 527 CZ TYR A 76 -1.522 -3.653 5.539 1.00 0.00 C ATOM 528 OH TYR A 76 -2.854 -3.931 5.336 1.00 0.00 O ATOM 0 H TYR A 76 2.898 -0.402 6.952 1.00 0.00 H new ATOM 0 HA TYR A 76 2.292 -2.911 8.294 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.936 -1.982 5.505 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.225 -3.664 5.900 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.473 -1.280 6.843 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.522 -4.978 5.005 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.906 -1.775 6.482 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.855 -5.474 4.642 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.941 -4.783 4.859 1.00 0.00 H new ATOM 538 N GLY A 77 5.343 -1.895 7.764 1.00 0.00 N ATOM 539 CA GLY A 77 6.736 -2.190 8.051 1.00 0.00 C ATOM 540 C GLY A 77 7.378 -3.058 6.985 1.00 0.00 C ATOM 541 O GLY A 77 8.238 -3.887 7.285 1.00 0.00 O ATOM 0 H GLY A 77 5.168 -0.951 7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.291 -1.256 8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.806 -2.693 9.015 1.00 0.00 H new ATOM 545 N LEU A 78 6.958 -2.870 5.739 1.00 0.00 N ATOM 546 CA LEU A 78 7.493 -3.645 4.624 1.00 0.00 C ATOM 547 C LEU A 78 8.814 -3.062 4.127 1.00 0.00 C ATOM 548 O LEU A 78 9.284 -2.043 4.633 1.00 0.00 O ATOM 549 CB LEU A 78 6.477 -3.692 3.483 1.00 0.00 C ATOM 550 CG LEU A 78 5.036 -3.963 3.918 1.00 0.00 C ATOM 551 CD1 LEU A 78 4.060 -3.145 3.086 1.00 0.00 C ATOM 552 CD2 LEU A 78 4.718 -5.447 3.813 1.00 0.00 C ATOM 0 H LEU A 78 6.248 -2.187 5.475 1.00 0.00 H new ATOM 0 HA LEU A 78 7.684 -4.658 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.508 -2.743 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.780 -4.465 2.777 1.00 0.00 H new ATOM 0 HG LEU A 78 4.930 -3.661 4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.041 -3.353 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.273 -2.084 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.166 -3.411 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.689 -5.622 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.843 -5.774 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.394 -6.010 4.457 1.00 0.00 H new ATOM 564 N LYS A 79 9.406 -3.719 3.134 1.00 0.00 N ATOM 565 CA LYS A 79 10.673 -3.274 2.564 1.00 0.00 C ATOM 566 C LYS A 79 10.454 -2.565 1.232 1.00 0.00 C ATOM 567 O LYS A 79 10.700 -3.130 0.167 1.00 0.00 O ATOM 568 CB LYS A 79 11.619 -4.461 2.374 1.00 0.00 C ATOM 569 CG LYS A 79 13.080 -4.124 2.635 1.00 0.00 C ATOM 570 CD LYS A 79 13.583 -3.034 1.698 1.00 0.00 C ATOM 571 CE LYS A 79 13.855 -1.738 2.445 1.00 0.00 C ATOM 572 NZ LYS A 79 13.388 -0.549 1.681 1.00 0.00 N ATOM 0 H LYS A 79 9.027 -4.564 2.706 1.00 0.00 H new ATOM 0 HA LYS A 79 11.125 -2.567 3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.316 -5.267 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.518 -4.836 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.199 -3.799 3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.688 -5.020 2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.496 -3.369 1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.845 -2.856 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.356 -1.766 3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.924 -1.648 2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.808 0.311 2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.678 -0.640 0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.351 -0.487 1.735 1.00 0.00 H new ATOM 586 N SER A 80 9.996 -1.323 1.302 1.00 0.00 N ATOM 587 CA SER A 80 9.749 -0.530 0.103 1.00 0.00 C ATOM 588 C SER A 80 9.678 0.957 0.443 1.00 0.00 C ATOM 589 O SER A 80 10.120 1.376 1.513 1.00 0.00 O ATOM 590 CB SER A 80 8.454 -0.982 -0.576 1.00 0.00 C ATOM 591 OG SER A 80 8.270 -0.321 -1.816 1.00 0.00 O ATOM 0 H SER A 80 9.787 -0.841 2.176 1.00 0.00 H new ATOM 0 HA SER A 80 10.579 -0.685 -0.587 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.481 -2.060 -0.736 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.606 -0.777 0.078 1.00 0.00 H new ATOM 0 HG SER A 80 8.932 -0.646 -2.461 1.00 0.00 H new ATOM 597 N GLY A 81 9.123 1.751 -0.468 1.00 0.00 N ATOM 598 CA GLY A 81 9.014 3.180 -0.232 1.00 0.00 C ATOM 599 C GLY A 81 9.424 4.005 -1.435 1.00 0.00 C ATOM 600 O GLY A 81 8.892 5.092 -1.661 1.00 0.00 O ATOM 0 H GLY A 81 8.748 1.432 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.986 3.422 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 81 9.638 3.452 0.619 1.00 0.00 H new ATOM 604 N LEU A 82 10.376 3.492 -2.206 1.00 0.00 N ATOM 605 CA LEU A 82 10.862 4.192 -3.389 1.00 0.00 C ATOM 606 C LEU A 82 9.925 3.993 -4.573 1.00 0.00 C ATOM 607 O LEU A 82 9.206 4.909 -4.973 1.00 0.00 O ATOM 608 CB LEU A 82 12.268 3.710 -3.749 1.00 0.00 C ATOM 609 CG LEU A 82 13.405 4.445 -3.037 1.00 0.00 C ATOM 610 CD1 LEU A 82 14.593 3.519 -2.829 1.00 0.00 C ATOM 611 CD2 LEU A 82 13.819 5.676 -3.829 1.00 0.00 C ATOM 0 H LEU A 82 10.827 2.593 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 82 10.896 5.257 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.342 2.647 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.407 3.813 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 82 13.048 4.768 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.391 4.060 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 82 14.288 2.667 -2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.952 3.165 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.629 6.188 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.158 5.374 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.967 6.349 -3.926 1.00 0.00 H new ATOM 623 N LYS A 83 9.949 2.794 -5.136 1.00 0.00 N ATOM 624 CA LYS A 83 9.111 2.469 -6.285 1.00 0.00 C ATOM 625 C LYS A 83 7.683 2.137 -5.862 1.00 0.00 C ATOM 626 O LYS A 83 7.431 1.096 -5.255 1.00 0.00 O ATOM 627 CB LYS A 83 9.707 1.297 -7.058 1.00 0.00 C ATOM 628 CG LYS A 83 10.696 1.722 -8.129 1.00 0.00 C ATOM 629 CD LYS A 83 11.744 0.652 -8.368 1.00 0.00 C ATOM 630 CE LYS A 83 12.955 0.846 -7.471 1.00 0.00 C ATOM 631 NZ LYS A 83 13.757 2.036 -7.870 1.00 0.00 N ATOM 0 H LYS A 83 10.541 2.027 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 83 9.077 3.348 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.206 0.626 -6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.900 0.730 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.164 1.926 -9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.183 2.650 -7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.309 -0.331 -8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.056 0.674 -9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.627 0.959 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.582 -0.044 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.714 1.960 -7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.819 2.081 -8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.299 2.899 -7.513 1.00 0.00 H new ATOM 645 N LYS A 84 6.752 3.027 -6.194 1.00 0.00 N ATOM 646 CA LYS A 84 5.343 2.833 -5.862 1.00 0.00 C ATOM 647 C LYS A 84 4.888 1.423 -6.223 1.00 0.00 C ATOM 648 O LYS A 84 4.344 0.704 -5.386 1.00 0.00 O ATOM 649 CB LYS A 84 4.474 3.865 -6.586 1.00 0.00 C ATOM 650 CG LYS A 84 4.753 3.958 -8.078 1.00 0.00 C ATOM 651 CD LYS A 84 4.173 5.230 -8.674 1.00 0.00 C ATOM 652 CE LYS A 84 2.666 5.130 -8.842 1.00 0.00 C ATOM 653 NZ LYS A 84 2.282 4.028 -9.768 1.00 0.00 N ATOM 0 H LYS A 84 6.949 3.893 -6.695 1.00 0.00 H new ATOM 0 HA LYS A 84 5.230 2.968 -4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.424 3.612 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.634 4.844 -6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.829 3.932 -8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.328 3.091 -8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.413 6.077 -8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.636 5.424 -9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.202 4.965 -7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.280 6.075 -9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.644 4.397 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.136 3.638 -10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.798 3.278 -9.234 1.00 0.00 H new ATOM 667 N GLN A 85 5.124 1.023 -7.469 1.00 0.00 N ATOM 668 CA GLN A 85 4.749 -0.313 -7.919 1.00 0.00 C ATOM 669 C GLN A 85 5.243 -1.357 -6.925 1.00 0.00 C ATOM 670 O GLN A 85 4.561 -2.343 -6.646 1.00 0.00 O ATOM 671 CB GLN A 85 5.328 -0.591 -9.304 1.00 0.00 C ATOM 672 CG GLN A 85 4.625 -1.718 -10.043 1.00 0.00 C ATOM 673 CD GLN A 85 3.237 -1.329 -10.513 1.00 0.00 C ATOM 674 OE1 GLN A 85 2.326 -1.140 -9.707 1.00 0.00 O ATOM 675 NE2 GLN A 85 3.069 -1.207 -11.825 1.00 0.00 N ATOM 0 H GLN A 85 5.570 1.601 -8.181 1.00 0.00 H new ATOM 0 HA GLN A 85 3.662 -0.368 -7.980 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.268 0.318 -9.903 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.385 -0.837 -9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.226 -2.015 -10.903 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.553 -2.587 -9.389 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.852 -1.373 -12.457 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.157 -0.947 -12.200 1.00 0.00 H new ATOM 684 N GLU A 86 6.432 -1.115 -6.382 1.00 0.00 N ATOM 685 CA GLU A 86 7.022 -2.014 -5.400 1.00 0.00 C ATOM 686 C GLU A 86 6.256 -1.924 -4.088 1.00 0.00 C ATOM 687 O GLU A 86 6.112 -2.914 -3.371 1.00 0.00 O ATOM 688 CB GLU A 86 8.496 -1.670 -5.175 1.00 0.00 C ATOM 689 CG GLU A 86 9.257 -2.735 -4.402 1.00 0.00 C ATOM 690 CD GLU A 86 10.200 -3.532 -5.282 1.00 0.00 C ATOM 691 OE1 GLU A 86 11.022 -2.911 -5.987 1.00 0.00 O ATOM 692 OE2 GLU A 86 10.117 -4.778 -5.264 1.00 0.00 O ATOM 0 H GLU A 86 7.006 -0.302 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 86 6.960 -3.034 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.977 -1.520 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.562 -0.725 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.826 -2.261 -3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.546 -3.413 -3.930 1.00 0.00 H new ATOM 699 N LEU A 87 5.746 -0.730 -3.791 1.00 0.00 N ATOM 700 CA LEU A 87 4.971 -0.518 -2.576 1.00 0.00 C ATOM 701 C LEU A 87 3.729 -1.394 -2.614 1.00 0.00 C ATOM 702 O LEU A 87 3.381 -2.044 -1.628 1.00 0.00 O ATOM 703 CB LEU A 87 4.582 0.963 -2.434 1.00 0.00 C ATOM 704 CG LEU A 87 5.728 1.898 -2.042 1.00 0.00 C ATOM 705 CD1 LEU A 87 5.337 3.352 -2.256 1.00 0.00 C ATOM 706 CD2 LEU A 87 6.123 1.657 -0.594 1.00 0.00 C ATOM 0 H LEU A 87 5.856 0.100 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 87 5.577 -0.790 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.161 1.305 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.793 1.046 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 87 6.585 1.684 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.167 3.998 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.097 3.513 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.466 3.588 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.939 2.327 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.267 1.848 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.446 0.623 -0.472 1.00 0.00 H new ATOM 718 N LEU A 88 3.081 -1.430 -3.776 1.00 0.00 N ATOM 719 CA LEU A 88 1.895 -2.253 -3.964 1.00 0.00 C ATOM 720 C LEU A 88 2.181 -3.691 -3.557 1.00 0.00 C ATOM 721 O LEU A 88 1.549 -4.233 -2.651 1.00 0.00 O ATOM 722 CB LEU A 88 1.443 -2.212 -5.424 1.00 0.00 C ATOM 723 CG LEU A 88 0.449 -1.105 -5.766 1.00 0.00 C ATOM 724 CD1 LEU A 88 1.183 0.185 -6.094 1.00 0.00 C ATOM 725 CD2 LEU A 88 -0.438 -1.532 -6.926 1.00 0.00 C ATOM 0 H LEU A 88 3.360 -0.898 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 88 1.098 -1.855 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.323 -2.096 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.993 -3.173 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.185 -0.924 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.460 0.964 -6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.776 0.495 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.840 0.023 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.142 -0.733 -7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.180 -1.738 -7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.988 -2.432 -6.651 1.00 0.00 H new ATOM 737 N GLU A 89 3.150 -4.302 -4.237 1.00 0.00 N ATOM 738 CA GLU A 89 3.537 -5.677 -3.951 1.00 0.00 C ATOM 739 C GLU A 89 3.750 -5.875 -2.456 1.00 0.00 C ATOM 740 O GLU A 89 3.242 -6.831 -1.870 1.00 0.00 O ATOM 741 CB GLU A 89 4.807 -6.046 -4.721 1.00 0.00 C ATOM 742 CG GLU A 89 4.559 -6.991 -5.885 1.00 0.00 C ATOM 743 CD GLU A 89 4.187 -8.389 -5.433 1.00 0.00 C ATOM 744 OE1 GLU A 89 3.511 -8.516 -4.390 1.00 0.00 O ATOM 745 OE2 GLU A 89 4.572 -9.359 -6.120 1.00 0.00 O ATOM 0 H GLU A 89 3.680 -3.864 -4.990 1.00 0.00 H new ATOM 0 HA GLU A 89 2.730 -6.334 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.272 -5.135 -5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.517 -6.507 -4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.760 -6.591 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.454 -7.040 -6.505 1.00 0.00 H new ATOM 752 N ALA A 90 4.494 -4.959 -1.838 1.00 0.00 N ATOM 753 CA ALA A 90 4.754 -5.039 -0.408 1.00 0.00 C ATOM 754 C ALA A 90 3.445 -5.151 0.361 1.00 0.00 C ATOM 755 O ALA A 90 3.300 -5.991 1.249 1.00 0.00 O ATOM 756 CB ALA A 90 5.548 -3.828 0.057 1.00 0.00 C ATOM 0 H ALA A 90 4.923 -4.160 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 90 5.347 -5.932 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.734 -3.904 1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.499 -3.791 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.981 -2.920 -0.149 1.00 0.00 H new ATOM 762 N LEU A 91 2.487 -4.306 -0.002 1.00 0.00 N ATOM 763 CA LEU A 91 1.179 -4.316 0.634 1.00 0.00 C ATOM 764 C LEU A 91 0.438 -5.600 0.303 1.00 0.00 C ATOM 765 O LEU A 91 0.021 -6.341 1.192 1.00 0.00 O ATOM 766 CB LEU A 91 0.357 -3.118 0.165 1.00 0.00 C ATOM 767 CG LEU A 91 0.642 -1.805 0.900 1.00 0.00 C ATOM 768 CD1 LEU A 91 1.452 -0.864 0.020 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.657 -1.143 1.336 1.00 0.00 C ATOM 0 H LEU A 91 2.594 -3.605 -0.735 1.00 0.00 H new ATOM 0 HA LEU A 91 1.321 -4.256 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.538 -2.967 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.701 -3.357 0.277 1.00 0.00 H new ATOM 0 HG LEU A 91 1.228 -2.031 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.644 0.063 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.400 -1.335 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.893 -0.645 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.434 -0.212 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.269 -0.931 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.199 -1.811 2.005 1.00 0.00 H new ATOM 781 N THR A 92 0.284 -5.855 -0.991 1.00 0.00 N ATOM 782 CA THR A 92 -0.402 -7.047 -1.463 1.00 0.00 C ATOM 783 C THR A 92 0.152 -8.293 -0.774 1.00 0.00 C ATOM 784 O THR A 92 -0.589 -9.040 -0.138 1.00 0.00 O ATOM 785 CB THR A 92 -0.262 -7.148 -2.986 1.00 0.00 C ATOM 786 OG1 THR A 92 -1.344 -6.497 -3.628 1.00 0.00 O ATOM 787 CG2 THR A 92 -0.209 -8.567 -3.513 1.00 0.00 C ATOM 0 H THR A 92 0.628 -5.247 -1.734 1.00 0.00 H new ATOM 0 HA THR A 92 -1.461 -6.976 -1.214 1.00 0.00 H new ATOM 0 HB THR A 92 0.692 -6.670 -3.210 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.526 -6.934 -4.486 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.110 -8.549 -4.598 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.646 -9.085 -3.079 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.126 -9.090 -3.242 1.00 0.00 H new ATOM 795 N LYS A 93 1.460 -8.508 -0.899 1.00 0.00 N ATOM 796 CA LYS A 93 2.104 -9.659 -0.277 1.00 0.00 C ATOM 797 C LYS A 93 1.724 -9.773 1.199 1.00 0.00 C ATOM 798 O LYS A 93 1.714 -10.866 1.764 1.00 0.00 O ATOM 799 CB LYS A 93 3.626 -9.573 -0.431 1.00 0.00 C ATOM 800 CG LYS A 93 4.275 -8.483 0.409 1.00 0.00 C ATOM 801 CD LYS A 93 5.585 -8.954 1.022 1.00 0.00 C ATOM 802 CE LYS A 93 5.733 -8.482 2.460 1.00 0.00 C ATOM 803 NZ LYS A 93 6.892 -7.561 2.626 1.00 0.00 N ATOM 0 H LYS A 93 2.091 -7.902 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 93 1.752 -10.555 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.063 -10.534 -0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.865 -9.399 -1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.458 -7.605 -0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.591 -8.177 1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.632 -10.043 0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.420 -8.581 0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.819 -7.976 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.858 -9.345 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.958 -7.262 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.767 -8.052 2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.761 -6.725 2.021 1.00 0.00 H new ATOM 817 N HIS A 94 1.421 -8.633 1.821 1.00 0.00 N ATOM 818 CA HIS A 94 1.055 -8.611 3.233 1.00 0.00 C ATOM 819 C HIS A 94 -0.451 -8.777 3.432 1.00 0.00 C ATOM 820 O HIS A 94 -0.945 -8.683 4.556 1.00 0.00 O ATOM 821 CB HIS A 94 1.521 -7.307 3.879 1.00 0.00 C ATOM 822 CG HIS A 94 1.783 -7.429 5.348 1.00 0.00 C ATOM 823 ND1 HIS A 94 3.051 -7.520 5.882 1.00 0.00 N ATOM 824 CD2 HIS A 94 0.930 -7.476 6.399 1.00 0.00 C ATOM 825 CE1 HIS A 94 2.967 -7.619 7.197 1.00 0.00 C ATOM 826 NE2 HIS A 94 1.692 -7.594 7.536 1.00 0.00 N ATOM 0 H HIS A 94 1.422 -7.718 1.370 1.00 0.00 H new ATOM 0 HA HIS A 94 1.552 -9.454 3.713 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.431 -6.970 3.382 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.765 -6.539 3.715 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.148 -7.429 6.352 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.800 -7.706 7.879 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.331 -7.653 8.488 1.00 0.00 H new ATOM 835 N PHE A 95 -1.182 -9.023 2.347 1.00 0.00 N ATOM 836 CA PHE A 95 -2.628 -9.197 2.438 1.00 0.00 C ATOM 837 C PHE A 95 -3.135 -10.214 1.412 1.00 0.00 C ATOM 838 O PHE A 95 -4.341 -10.339 1.200 1.00 0.00 O ATOM 839 CB PHE A 95 -3.335 -7.852 2.235 1.00 0.00 C ATOM 840 CG PHE A 95 -4.161 -7.408 3.415 1.00 0.00 C ATOM 841 CD1 PHE A 95 -4.726 -8.328 4.288 1.00 0.00 C ATOM 842 CD2 PHE A 95 -4.359 -6.059 3.654 1.00 0.00 C ATOM 843 CE1 PHE A 95 -5.470 -7.908 5.374 1.00 0.00 C ATOM 844 CE2 PHE A 95 -5.104 -5.634 4.736 1.00 0.00 C ATOM 845 CZ PHE A 95 -5.659 -6.558 5.598 1.00 0.00 C ATOM 0 H PHE A 95 -0.801 -9.106 1.404 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.856 -9.579 3.433 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.587 -7.089 2.021 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.980 -7.921 1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.582 -9.385 4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.925 -5.330 2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.903 -8.634 6.046 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.252 -4.578 4.908 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.240 -6.226 6.446 1.00 0.00 H new ATOM 855 N GLN A 96 -2.214 -10.940 0.779 1.00 0.00 N ATOM 856 CA GLN A 96 -2.586 -11.940 -0.215 1.00 0.00 C ATOM 857 C GLN A 96 -3.179 -13.176 0.453 1.00 0.00 C ATOM 858 O GLN A 96 -2.511 -13.851 1.236 1.00 0.00 O ATOM 859 CB GLN A 96 -1.370 -12.332 -1.057 1.00 0.00 C ATOM 860 CG GLN A 96 -0.214 -12.882 -0.237 1.00 0.00 C ATOM 861 CD GLN A 96 0.191 -14.280 -0.664 1.00 0.00 C ATOM 862 OE1 GLN A 96 -0.113 -14.715 -1.774 1.00 0.00 O ATOM 863 NE2 GLN A 96 0.883 -14.992 0.219 1.00 0.00 N ATOM 0 H GLN A 96 -1.210 -10.853 0.937 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.343 -11.504 -0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.672 -13.079 -1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.027 -11.460 -1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.643 -12.215 -0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.494 -12.895 0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.113 -14.592 1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.184 -15.939 -0.013 1.00 0.00 H new