USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.28) USER MOD Single : A 20 MET CE :methyl -173:sc= -2.89! (180deg=-3.24!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.695 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 29 CYS SG : rot -30:sc= -0.613 USER MOD Single : A 32 SER OG : rot 170:sc= -0.0169 USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -1.12 (180deg=-2.24!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.907 K(o=-0.91,f=-3.9!) USER MOD Single : A 61 CYS SG : rot 130:sc= -0.586 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0827 X(o=-0.083,f=-0.17) USER MOD Single : A 70 MET CE :methyl -155:sc= -1.39 (180deg=-2.18) USER MOD Single : A 73 ASN : amide:sc= -2.25 K(o=-2.3,f=-9.2!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 108:sc= -0.725 USER MOD Single : A 80 CYS SG : rot 61:sc= 0.921 USER MOD Single : A 82 GLN : amide:sc= -3.23! C(o=-3.2!,f=-2.9!) USER MOD Single : A 85 THR OG1 : rot 160:sc= -0.354 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 7.721 16.066 -3.248 1.00 0.00 N ATOM 67 CA ALA A 8 6.766 15.684 -2.215 1.00 0.00 C ATOM 68 C ALA A 8 7.378 14.680 -1.245 1.00 0.00 C ATOM 69 O ALA A 8 7.948 13.670 -1.660 1.00 0.00 O ATOM 70 CB ALA A 8 5.507 15.109 -2.847 1.00 0.00 C ATOM 0 HA ALA A 8 6.501 16.579 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.803 14.828 -2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.050 15.858 -3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.765 14.229 -3.436 1.00 0.00 H new ATOM 76 N ARG A 9 7.258 14.964 0.048 1.00 0.00 N ATOM 77 CA ARG A 9 7.802 14.086 1.077 1.00 0.00 C ATOM 78 C ARG A 9 6.689 13.308 1.772 1.00 0.00 C ATOM 79 O ARG A 9 5.531 13.727 1.773 1.00 0.00 O ATOM 80 CB ARG A 9 8.591 14.898 2.105 1.00 0.00 C ATOM 81 CG ARG A 9 7.782 16.009 2.754 1.00 0.00 C ATOM 82 CD ARG A 9 8.610 16.783 3.768 1.00 0.00 C ATOM 83 NE ARG A 9 8.576 16.164 5.090 1.00 0.00 N ATOM 84 CZ ARG A 9 8.958 16.782 6.201 1.00 0.00 C ATOM 85 NH1 ARG A 9 9.402 18.031 6.150 1.00 0.00 N ATOM 86 NH2 ARG A 9 8.898 16.152 7.367 1.00 0.00 N ATOM 0 H ARG A 9 6.789 15.795 0.408 1.00 0.00 H new ATOM 0 HA ARG A 9 8.472 13.374 0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.959 14.227 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.465 15.332 1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.416 16.690 1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.907 15.584 3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.642 16.843 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.237 17.805 3.837 1.00 0.00 H new ATOM 0 HE ARG A 9 8.240 15.204 5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.450 18.519 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.695 18.503 7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.558 15.191 7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.192 16.628 8.220 1.00 0.00 H new ATOM 100 N PHE A 10 7.047 12.172 2.362 1.00 0.00 N ATOM 101 CA PHE A 10 6.078 11.334 3.059 1.00 0.00 C ATOM 102 C PHE A 10 5.854 11.833 4.484 1.00 0.00 C ATOM 103 O PHE A 10 6.614 11.507 5.396 1.00 0.00 O ATOM 104 CB PHE A 10 6.555 9.881 3.086 1.00 0.00 C ATOM 105 CG PHE A 10 6.386 9.171 1.773 1.00 0.00 C ATOM 106 CD1 PHE A 10 5.129 9.012 1.212 1.00 0.00 C ATOM 107 CD2 PHE A 10 7.485 8.663 1.098 1.00 0.00 C ATOM 108 CE1 PHE A 10 4.972 8.359 0.004 1.00 0.00 C ATOM 109 CE2 PHE A 10 7.334 8.009 -0.110 1.00 0.00 C ATOM 110 CZ PHE A 10 6.075 7.858 -0.658 1.00 0.00 C ATOM 0 H PHE A 10 8.001 11.811 2.371 1.00 0.00 H new ATOM 0 HA PHE A 10 5.132 11.389 2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.607 9.857 3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.005 9.340 3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.262 9.403 1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.472 8.780 1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.987 8.241 -0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.199 7.617 -0.625 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.954 7.349 -1.603 1.00 0.00 H new ATOM 120 N THR A 11 4.804 12.628 4.668 1.00 0.00 N ATOM 121 CA THR A 11 4.479 13.175 5.979 1.00 0.00 C ATOM 122 C THR A 11 3.654 12.188 6.797 1.00 0.00 C ATOM 123 O THR A 11 3.702 12.195 8.026 1.00 0.00 O ATOM 124 CB THR A 11 3.703 14.500 5.859 1.00 0.00 C ATOM 125 OG1 THR A 11 3.306 14.954 7.158 1.00 0.00 O ATOM 126 CG2 THR A 11 2.475 14.330 4.978 1.00 0.00 C ATOM 0 H THR A 11 4.164 12.907 3.924 1.00 0.00 H new ATOM 0 HA THR A 11 5.425 13.362 6.487 1.00 0.00 H new ATOM 0 HB THR A 11 4.359 15.240 5.401 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.815 15.798 7.074 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.943 15.279 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.783 14.013 3.982 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.817 13.577 5.412 1.00 0.00 H new ATOM 134 N GLU A 12 2.899 11.339 6.106 1.00 0.00 N ATOM 135 CA GLU A 12 2.064 10.346 6.770 1.00 0.00 C ATOM 136 C GLU A 12 2.708 8.964 6.708 1.00 0.00 C ATOM 137 O GLU A 12 2.599 8.174 7.644 1.00 0.00 O ATOM 138 CB GLU A 12 0.675 10.303 6.128 1.00 0.00 C ATOM 139 CG GLU A 12 -0.369 9.604 6.982 1.00 0.00 C ATOM 140 CD GLU A 12 -0.679 10.359 8.259 1.00 0.00 C ATOM 141 OE1 GLU A 12 -1.575 11.229 8.232 1.00 0.00 O ATOM 142 OE2 GLU A 12 -0.026 10.081 9.286 1.00 0.00 O ATOM 0 H GLU A 12 2.849 11.320 5.087 1.00 0.00 H new ATOM 0 HA GLU A 12 1.964 10.634 7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.345 11.322 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.744 9.795 5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.285 9.484 6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.017 8.603 7.232 1.00 0.00 H new ATOM 149 N GLY A 13 3.379 8.680 5.596 1.00 0.00 N ATOM 150 CA GLY A 13 4.030 7.393 5.431 1.00 0.00 C ATOM 151 C GLY A 13 3.044 6.276 5.153 1.00 0.00 C ATOM 152 O GLY A 13 1.892 6.528 4.798 1.00 0.00 O ATOM 0 H GLY A 13 3.484 9.318 4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.746 7.454 4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.596 7.158 6.332 1.00 0.00 H new ATOM 156 N LEU A 14 3.496 5.037 5.313 1.00 0.00 N ATOM 157 CA LEU A 14 2.646 3.876 5.076 1.00 0.00 C ATOM 158 C LEU A 14 2.505 3.036 6.342 1.00 0.00 C ATOM 159 O LEU A 14 3.457 2.391 6.780 1.00 0.00 O ATOM 160 CB LEU A 14 3.220 3.021 3.945 1.00 0.00 C ATOM 161 CG LEU A 14 2.764 3.385 2.531 1.00 0.00 C ATOM 162 CD1 LEU A 14 3.767 2.886 1.502 1.00 0.00 C ATOM 163 CD2 LEU A 14 1.382 2.812 2.253 1.00 0.00 C ATOM 0 H LEU A 14 4.446 4.811 5.606 1.00 0.00 H new ATOM 0 HA LEU A 14 1.658 4.234 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.307 3.087 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.957 1.980 4.134 1.00 0.00 H new ATOM 0 HG LEU A 14 2.707 4.471 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.426 3.154 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.738 3.344 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.856 1.802 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.073 3.081 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.413 1.726 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.669 3.218 2.970 1.00 0.00 H new ATOM 175 N ARG A 15 1.310 3.048 6.924 1.00 0.00 N ATOM 176 CA ARG A 15 1.044 2.287 8.138 1.00 0.00 C ATOM 177 C ARG A 15 1.102 0.787 7.864 1.00 0.00 C ATOM 178 O ARG A 15 1.178 0.359 6.713 1.00 0.00 O ATOM 179 CB ARG A 15 -0.325 2.659 8.710 1.00 0.00 C ATOM 180 CG ARG A 15 -0.401 2.557 10.224 1.00 0.00 C ATOM 181 CD ARG A 15 -1.594 3.322 10.775 1.00 0.00 C ATOM 182 NE ARG A 15 -1.310 4.748 10.920 1.00 0.00 N ATOM 183 CZ ARG A 15 -2.155 5.613 11.469 1.00 0.00 C ATOM 184 NH1 ARG A 15 -3.330 5.200 11.924 1.00 0.00 N ATOM 185 NH2 ARG A 15 -1.824 6.895 11.565 1.00 0.00 N ATOM 0 H ARG A 15 0.511 3.577 6.574 1.00 0.00 H new ATOM 0 HA ARG A 15 1.815 2.536 8.868 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.570 3.678 8.410 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.081 2.008 8.272 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.473 1.509 10.516 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.517 2.948 10.663 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.448 3.188 10.112 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.874 2.908 11.743 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.414 5.098 10.581 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.587 4.215 11.853 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.977 5.867 12.345 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.920 7.216 11.217 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.473 7.559 11.987 1.00 0.00 H new ATOM 199 N ASN A 16 1.065 -0.006 8.929 1.00 0.00 N ATOM 200 CA ASN A 16 1.114 -1.459 8.803 1.00 0.00 C ATOM 201 C ASN A 16 -0.202 -2.002 8.256 1.00 0.00 C ATOM 202 O ASN A 16 -1.269 -1.448 8.517 1.00 0.00 O ATOM 203 CB ASN A 16 1.419 -2.099 10.159 1.00 0.00 C ATOM 204 CG ASN A 16 2.398 -1.280 10.978 1.00 0.00 C ATOM 205 OD1 ASN A 16 3.395 -0.780 10.457 1.00 0.00 O ATOM 206 ND2 ASN A 16 2.117 -1.141 12.269 1.00 0.00 N ATOM 0 H ASN A 16 1.001 0.332 9.889 1.00 0.00 H new ATOM 0 HA ASN A 16 1.910 -1.712 8.102 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.491 -2.217 10.719 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.827 -3.098 10.003 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.739 -0.602 12.871 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.279 -1.573 12.658 1.00 0.00 H new ATOM 213 N GLU A 17 -0.117 -3.089 7.496 1.00 0.00 N ATOM 214 CA GLU A 17 -1.302 -3.707 6.912 1.00 0.00 C ATOM 215 C GLU A 17 -1.509 -5.115 7.462 1.00 0.00 C ATOM 216 O GLU A 17 -0.547 -5.837 7.723 1.00 0.00 O ATOM 217 CB GLU A 17 -1.179 -3.756 5.387 1.00 0.00 C ATOM 218 CG GLU A 17 -2.516 -3.856 4.672 1.00 0.00 C ATOM 219 CD GLU A 17 -3.514 -2.820 5.153 1.00 0.00 C ATOM 220 OE1 GLU A 17 -3.133 -1.636 5.265 1.00 0.00 O ATOM 221 OE2 GLU A 17 -4.675 -3.194 5.418 1.00 0.00 O ATOM 0 H GLU A 17 0.759 -3.560 7.270 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.167 -3.100 7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.659 -2.862 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.562 -4.610 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.360 -3.735 3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.931 -4.852 4.823 1.00 0.00 H new ATOM 228 N GLU A 18 -2.770 -5.496 7.636 1.00 0.00 N ATOM 229 CA GLU A 18 -3.103 -6.817 8.157 1.00 0.00 C ATOM 230 C GLU A 18 -4.329 -7.388 7.450 1.00 0.00 C ATOM 231 O GLU A 18 -5.369 -6.736 7.365 1.00 0.00 O ATOM 232 CB GLU A 18 -3.358 -6.746 9.664 1.00 0.00 C ATOM 233 CG GLU A 18 -2.110 -6.964 10.504 1.00 0.00 C ATOM 234 CD GLU A 18 -2.158 -6.220 11.824 1.00 0.00 C ATOM 235 OE1 GLU A 18 -3.005 -6.570 12.673 1.00 0.00 O ATOM 236 OE2 GLU A 18 -1.348 -5.288 12.009 1.00 0.00 O ATOM 0 H GLU A 18 -3.577 -4.910 7.424 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.256 -7.477 7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.783 -5.772 9.906 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.103 -7.495 9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.988 -8.030 10.696 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.236 -6.639 9.940 1.00 0.00 H new ATOM 243 N ALA A 19 -4.197 -8.609 6.943 1.00 0.00 N ATOM 244 CA ALA A 19 -5.292 -9.269 6.243 1.00 0.00 C ATOM 245 C ALA A 19 -5.127 -10.784 6.270 1.00 0.00 C ATOM 246 O ALA A 19 -4.073 -11.296 6.644 1.00 0.00 O ATOM 247 CB ALA A 19 -5.379 -8.770 4.809 1.00 0.00 C ATOM 0 H ALA A 19 -3.342 -9.162 7.004 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.221 -9.022 6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.201 -9.272 4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.554 -7.694 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.445 -8.986 4.291 1.00 0.00 H new ATOM 253 N MET A 20 -6.176 -11.496 5.870 1.00 0.00 N ATOM 254 CA MET A 20 -6.145 -12.954 5.848 1.00 0.00 C ATOM 255 C MET A 20 -5.757 -13.469 4.466 1.00 0.00 C ATOM 256 O MET A 20 -5.730 -12.710 3.497 1.00 0.00 O ATOM 257 CB MET A 20 -7.508 -13.520 6.251 1.00 0.00 C ATOM 258 CG MET A 20 -7.681 -13.677 7.753 1.00 0.00 C ATOM 259 SD MET A 20 -8.840 -14.988 8.186 1.00 0.00 S ATOM 260 CE MET A 20 -7.792 -16.432 8.028 1.00 0.00 C ATOM 0 H MET A 20 -7.057 -11.088 5.557 1.00 0.00 H new ATOM 0 HA MET A 20 -5.394 -13.287 6.564 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.291 -12.865 5.870 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.644 -14.491 5.774 1.00 0.00 H new ATOM 0 HG2 MET A 20 -6.713 -13.889 8.206 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.030 -12.735 8.175 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.395 -17.333 8.142 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.320 -16.433 7.046 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.023 -16.410 8.800 1.00 0.00 H new ATOM 270 N GLU A 21 -5.456 -14.761 4.383 1.00 0.00 N ATOM 271 CA GLU A 21 -5.068 -15.375 3.119 1.00 0.00 C ATOM 272 C GLU A 21 -6.225 -15.350 2.124 1.00 0.00 C ATOM 273 O GLU A 21 -7.319 -15.829 2.416 1.00 0.00 O ATOM 274 CB GLU A 21 -4.607 -16.816 3.346 1.00 0.00 C ATOM 275 CG GLU A 21 -4.452 -17.615 2.063 1.00 0.00 C ATOM 276 CD GLU A 21 -3.858 -18.990 2.300 1.00 0.00 C ATOM 277 OE1 GLU A 21 -4.566 -19.853 2.861 1.00 0.00 O ATOM 278 OE2 GLU A 21 -2.686 -19.204 1.926 1.00 0.00 O ATOM 0 H GLU A 21 -5.473 -15.402 5.176 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.242 -14.798 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.654 -16.805 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.324 -17.320 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.426 -17.722 1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.816 -17.063 1.370 1.00 0.00 H new ATOM 285 N GLY A 22 -5.973 -14.788 0.946 1.00 0.00 N ATOM 286 CA GLY A 22 -7.002 -14.710 -0.074 1.00 0.00 C ATOM 287 C GLY A 22 -7.750 -13.392 -0.044 1.00 0.00 C ATOM 288 O GLY A 22 -8.528 -13.091 -0.949 1.00 0.00 O ATOM 0 H GLY A 22 -5.074 -14.385 0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.547 -14.844 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.709 -15.528 0.064 1.00 0.00 H new ATOM 292 N ALA A 23 -7.516 -12.604 1.001 1.00 0.00 N ATOM 293 CA ALA A 23 -8.173 -11.311 1.145 1.00 0.00 C ATOM 294 C ALA A 23 -7.598 -10.291 0.168 1.00 0.00 C ATOM 295 O ALA A 23 -6.717 -10.609 -0.632 1.00 0.00 O ATOM 296 CB ALA A 23 -8.040 -10.808 2.575 1.00 0.00 C ATOM 0 H ALA A 23 -6.876 -12.839 1.760 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.230 -11.441 0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.535 -9.841 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.505 -11.521 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.985 -10.701 2.826 1.00 0.00 H new ATOM 302 N THR A 24 -8.103 -9.063 0.236 1.00 0.00 N ATOM 303 CA THR A 24 -7.641 -7.997 -0.643 1.00 0.00 C ATOM 304 C THR A 24 -6.984 -6.874 0.151 1.00 0.00 C ATOM 305 O THR A 24 -7.666 -6.055 0.766 1.00 0.00 O ATOM 306 CB THR A 24 -8.799 -7.413 -1.474 1.00 0.00 C ATOM 307 OG1 THR A 24 -9.406 -8.443 -2.262 1.00 0.00 O ATOM 308 CG2 THR A 24 -8.304 -6.298 -2.383 1.00 0.00 C ATOM 0 H THR A 24 -8.833 -8.783 0.891 1.00 0.00 H new ATOM 0 HA THR A 24 -6.907 -8.439 -1.316 1.00 0.00 H new ATOM 0 HB THR A 24 -9.537 -7.000 -0.787 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.142 -8.063 -2.786 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.139 -5.901 -2.960 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.870 -5.502 -1.779 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.548 -6.691 -3.063 1.00 0.00 H new ATOM 316 N ALA A 25 -5.655 -6.843 0.134 1.00 0.00 N ATOM 317 CA ALA A 25 -4.906 -5.818 0.852 1.00 0.00 C ATOM 318 C ALA A 25 -5.135 -4.441 0.239 1.00 0.00 C ATOM 319 O ALA A 25 -5.301 -4.309 -0.974 1.00 0.00 O ATOM 320 CB ALA A 25 -3.423 -6.156 0.857 1.00 0.00 C ATOM 0 H ALA A 25 -5.075 -7.515 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.265 -5.793 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.875 -5.383 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.271 -7.117 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.059 -6.210 -0.169 1.00 0.00 H new ATOM 326 N THR A 26 -5.143 -3.416 1.085 1.00 0.00 N ATOM 327 CA THR A 26 -5.354 -2.048 0.627 1.00 0.00 C ATOM 328 C THR A 26 -4.564 -1.057 1.474 1.00 0.00 C ATOM 329 O THR A 26 -4.901 -0.806 2.632 1.00 0.00 O ATOM 330 CB THR A 26 -6.845 -1.665 0.667 1.00 0.00 C ATOM 331 OG1 THR A 26 -7.610 -2.594 -0.109 1.00 0.00 O ATOM 332 CG2 THR A 26 -7.057 -0.257 0.134 1.00 0.00 C ATOM 0 H THR A 26 -5.006 -3.507 2.092 1.00 0.00 H new ATOM 0 HA THR A 26 -5.003 -2.003 -0.404 1.00 0.00 H new ATOM 0 HB THR A 26 -7.178 -1.697 1.704 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.557 -2.345 -0.077 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.118 -0.009 0.172 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.497 0.451 0.744 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.709 -0.202 -0.897 1.00 0.00 H new ATOM 340 N LEU A 27 -3.511 -0.495 0.891 1.00 0.00 N ATOM 341 CA LEU A 27 -2.672 0.471 1.592 1.00 0.00 C ATOM 342 C LEU A 27 -3.109 1.899 1.281 1.00 0.00 C ATOM 343 O LEU A 27 -3.833 2.139 0.315 1.00 0.00 O ATOM 344 CB LEU A 27 -1.205 0.278 1.205 1.00 0.00 C ATOM 345 CG LEU A 27 -0.516 -0.960 1.778 1.00 0.00 C ATOM 346 CD1 LEU A 27 0.757 -1.269 1.005 1.00 0.00 C ATOM 347 CD2 LEU A 27 -0.210 -0.763 3.256 1.00 0.00 C ATOM 0 H LEU A 27 -3.218 -0.692 -0.066 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.784 0.302 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.140 0.235 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.647 1.159 1.523 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.193 -1.809 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.234 -2.154 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.512 -1.454 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.439 -0.422 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.280 -1.654 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.448 0.097 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.139 -0.591 3.800 1.00 0.00 H new ATOM 359 N GLN A 28 -2.663 2.841 2.105 1.00 0.00 N ATOM 360 CA GLN A 28 -3.008 4.246 1.917 1.00 0.00 C ATOM 361 C GLN A 28 -1.948 5.153 2.532 1.00 0.00 C ATOM 362 O GLN A 28 -1.521 4.944 3.668 1.00 0.00 O ATOM 363 CB GLN A 28 -4.374 4.545 2.535 1.00 0.00 C ATOM 364 CG GLN A 28 -5.116 5.681 1.850 1.00 0.00 C ATOM 365 CD GLN A 28 -6.617 5.599 2.046 1.00 0.00 C ATOM 366 OE1 GLN A 28 -7.096 5.177 3.099 1.00 0.00 O ATOM 367 NE2 GLN A 28 -7.370 6.004 1.030 1.00 0.00 N ATOM 0 H GLN A 28 -2.062 2.658 2.909 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.052 4.443 0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.987 3.645 2.494 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.241 4.792 3.588 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.754 6.633 2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.891 5.666 0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.932 6.347 0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.387 5.972 1.104 1.00 0.00 H new ATOM 376 N CYS A 29 -1.528 6.161 1.776 1.00 0.00 N ATOM 377 CA CYS A 29 -0.516 7.101 2.247 1.00 0.00 C ATOM 378 C CYS A 29 -0.745 8.488 1.654 1.00 0.00 C ATOM 379 O CYS A 29 -1.173 8.620 0.508 1.00 0.00 O ATOM 380 CB CYS A 29 0.883 6.601 1.882 1.00 0.00 C ATOM 381 SG CYS A 29 1.083 6.176 0.136 1.00 0.00 S ATOM 0 H CYS A 29 -1.872 6.349 0.834 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.597 7.172 3.332 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.611 7.369 2.144 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.113 5.724 2.487 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.055 5.770 -0.345 1.00 0.00 H new ATOM 387 N GLU A 30 -0.457 9.518 2.444 1.00 0.00 N ATOM 388 CA GLU A 30 -0.634 10.894 1.998 1.00 0.00 C ATOM 389 C GLU A 30 0.715 11.581 1.803 1.00 0.00 C ATOM 390 O GLU A 30 1.631 11.414 2.609 1.00 0.00 O ATOM 391 CB GLU A 30 -1.476 11.677 3.007 1.00 0.00 C ATOM 392 CG GLU A 30 -2.200 12.868 2.403 1.00 0.00 C ATOM 393 CD GLU A 30 -2.668 13.860 3.450 1.00 0.00 C ATOM 394 OE1 GLU A 30 -3.760 13.653 4.019 1.00 0.00 O ATOM 395 OE2 GLU A 30 -1.940 14.844 3.701 1.00 0.00 O ATOM 0 H GLU A 30 -0.100 9.425 3.395 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.154 10.874 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.209 11.006 3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.830 12.026 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.537 13.373 1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.059 12.515 1.833 1.00 0.00 H new ATOM 402 N LEU A 31 0.829 12.353 0.728 1.00 0.00 N ATOM 403 CA LEU A 31 2.065 13.065 0.426 1.00 0.00 C ATOM 404 C LEU A 31 1.908 14.562 0.678 1.00 0.00 C ATOM 405 O LEU A 31 0.824 15.119 0.505 1.00 0.00 O ATOM 406 CB LEU A 31 2.475 12.822 -1.027 1.00 0.00 C ATOM 407 CG LEU A 31 2.959 11.410 -1.361 1.00 0.00 C ATOM 408 CD1 LEU A 31 2.729 11.100 -2.831 1.00 0.00 C ATOM 409 CD2 LEU A 31 4.430 11.252 -1.004 1.00 0.00 C ATOM 0 H LEU A 31 0.080 12.502 0.051 1.00 0.00 H new ATOM 0 HA LEU A 31 2.844 12.684 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.624 13.054 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.267 13.526 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 31 2.383 10.700 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.080 10.091 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.665 11.171 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.277 11.815 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.757 10.241 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.021 11.972 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.567 11.430 0.063 1.00 0.00 H new ATOM 421 N SER A 32 2.997 15.206 1.084 1.00 0.00 N ATOM 422 CA SER A 32 2.979 16.638 1.361 1.00 0.00 C ATOM 423 C SER A 32 2.242 17.395 0.260 1.00 0.00 C ATOM 424 O SER A 32 1.611 18.422 0.512 1.00 0.00 O ATOM 425 CB SER A 32 4.407 17.171 1.494 1.00 0.00 C ATOM 426 OG SER A 32 5.070 17.169 0.242 1.00 0.00 O ATOM 0 H SER A 32 3.903 14.760 1.229 1.00 0.00 H new ATOM 0 HA SER A 32 2.451 16.795 2.302 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.385 18.184 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.963 16.559 2.204 1.00 0.00 H new ATOM 0 HG SER A 32 5.915 17.659 0.319 1.00 0.00 H new ATOM 432 N LYS A 33 2.326 16.880 -0.962 1.00 0.00 N ATOM 433 CA LYS A 33 1.667 17.504 -2.103 1.00 0.00 C ATOM 434 C LYS A 33 1.534 16.519 -3.260 1.00 0.00 C ATOM 435 O LYS A 33 2.447 15.741 -3.533 1.00 0.00 O ATOM 436 CB LYS A 33 2.449 18.738 -2.557 1.00 0.00 C ATOM 437 CG LYS A 33 3.877 18.434 -2.974 1.00 0.00 C ATOM 438 CD LYS A 33 4.659 19.705 -3.260 1.00 0.00 C ATOM 439 CE LYS A 33 5.317 20.249 -2.001 1.00 0.00 C ATOM 440 NZ LYS A 33 4.314 20.755 -1.024 1.00 0.00 N ATOM 0 H LYS A 33 2.845 16.031 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 33 0.668 17.809 -1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.926 19.202 -3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.463 19.467 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.375 17.870 -2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.871 17.802 -3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.422 19.503 -4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.991 20.458 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.914 19.465 -1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.002 21.054 -2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.773 21.419 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.549 21.243 -1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.918 19.957 -0.488 1.00 0.00 H new ATOM 454 N ALA A 34 0.391 16.560 -3.937 1.00 0.00 N ATOM 455 CA ALA A 34 0.140 15.673 -5.066 1.00 0.00 C ATOM 456 C ALA A 34 1.411 15.445 -5.878 1.00 0.00 C ATOM 457 O ALA A 34 1.992 16.387 -6.417 1.00 0.00 O ATOM 458 CB ALA A 34 -0.958 16.244 -5.951 1.00 0.00 C ATOM 0 H ALA A 34 -0.376 17.198 -3.723 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.188 14.710 -4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.135 15.572 -6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.875 16.350 -5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.652 17.220 -6.327 1.00 0.00 H new ATOM 464 N ALA A 35 1.838 14.189 -5.959 1.00 0.00 N ATOM 465 CA ALA A 35 3.040 13.838 -6.706 1.00 0.00 C ATOM 466 C ALA A 35 3.019 12.370 -7.119 1.00 0.00 C ATOM 467 O ALA A 35 2.445 11.517 -6.442 1.00 0.00 O ATOM 468 CB ALA A 35 4.281 14.138 -5.879 1.00 0.00 C ATOM 0 H ALA A 35 1.370 13.398 -5.517 1.00 0.00 H new ATOM 0 HA ALA A 35 3.066 14.443 -7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.171 13.871 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.309 15.201 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.253 13.557 -4.957 1.00 0.00 H new ATOM 474 N PRO A 36 3.660 12.067 -8.258 1.00 0.00 N ATOM 475 CA PRO A 36 3.730 10.701 -8.787 1.00 0.00 C ATOM 476 C PRO A 36 4.609 9.793 -7.935 1.00 0.00 C ATOM 477 O PRO A 36 5.639 10.221 -7.413 1.00 0.00 O ATOM 478 CB PRO A 36 4.344 10.891 -10.176 1.00 0.00 C ATOM 479 CG PRO A 36 5.122 12.157 -10.077 1.00 0.00 C ATOM 480 CD PRO A 36 4.367 13.033 -9.116 1.00 0.00 C ATOM 0 HA PRO A 36 2.753 10.218 -8.800 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.986 10.052 -10.443 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.573 10.959 -10.944 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.134 11.966 -9.719 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.214 12.636 -11.052 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.039 13.668 -8.538 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.672 13.693 -9.635 1.00 0.00 H new ATOM 488 N VAL A 37 4.198 8.537 -7.798 1.00 0.00 N ATOM 489 CA VAL A 37 4.949 7.567 -7.010 1.00 0.00 C ATOM 490 C VAL A 37 5.090 6.244 -7.755 1.00 0.00 C ATOM 491 O VAL A 37 4.449 6.029 -8.783 1.00 0.00 O ATOM 492 CB VAL A 37 4.277 7.309 -5.649 1.00 0.00 C ATOM 493 CG1 VAL A 37 4.052 8.618 -4.907 1.00 0.00 C ATOM 494 CG2 VAL A 37 2.966 6.560 -5.836 1.00 0.00 C ATOM 0 H VAL A 37 3.348 8.167 -8.223 1.00 0.00 H new ATOM 0 HA VAL A 37 5.938 7.993 -6.843 1.00 0.00 H new ATOM 0 HB VAL A 37 4.941 6.688 -5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.576 8.415 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.010 9.111 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.409 9.267 -5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.505 6.386 -4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.294 7.153 -6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.159 5.604 -6.322 1.00 0.00 H new ATOM 504 N GLU A 38 5.933 5.362 -7.228 1.00 0.00 N ATOM 505 CA GLU A 38 6.157 4.059 -7.844 1.00 0.00 C ATOM 506 C GLU A 38 6.247 2.965 -6.784 1.00 0.00 C ATOM 507 O GLU A 38 7.191 2.926 -5.995 1.00 0.00 O ATOM 508 CB GLU A 38 7.437 4.080 -8.681 1.00 0.00 C ATOM 509 CG GLU A 38 7.431 3.083 -9.828 1.00 0.00 C ATOM 510 CD GLU A 38 8.814 2.843 -10.400 1.00 0.00 C ATOM 511 OE1 GLU A 38 9.387 3.788 -10.981 1.00 0.00 O ATOM 512 OE2 GLU A 38 9.324 1.711 -10.267 1.00 0.00 O ATOM 0 H GLU A 38 6.471 5.525 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 38 5.310 3.842 -8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.582 5.083 -9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.288 3.871 -8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.017 2.137 -9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.774 3.447 -10.618 1.00 0.00 H new ATOM 519 N TRP A 39 5.258 2.078 -6.773 1.00 0.00 N ATOM 520 CA TRP A 39 5.225 0.982 -5.810 1.00 0.00 C ATOM 521 C TRP A 39 6.102 -0.176 -6.273 1.00 0.00 C ATOM 522 O TRP A 39 6.170 -0.478 -7.464 1.00 0.00 O ATOM 523 CB TRP A 39 3.788 0.500 -5.605 1.00 0.00 C ATOM 524 CG TRP A 39 2.848 1.592 -5.196 1.00 0.00 C ATOM 525 CD1 TRP A 39 2.322 2.565 -5.998 1.00 0.00 C ATOM 526 CD2 TRP A 39 2.323 1.825 -3.884 1.00 0.00 C ATOM 527 NE1 TRP A 39 1.502 3.387 -5.263 1.00 0.00 N ATOM 528 CE2 TRP A 39 1.486 2.954 -3.964 1.00 0.00 C ATOM 529 CE3 TRP A 39 2.479 1.188 -2.650 1.00 0.00 C ATOM 530 CZ2 TRP A 39 0.808 3.458 -2.857 1.00 0.00 C ATOM 531 CZ3 TRP A 39 1.806 1.689 -1.552 1.00 0.00 C ATOM 532 CH2 TRP A 39 0.978 2.815 -1.661 1.00 0.00 C ATOM 0 H TRP A 39 4.469 2.096 -7.419 1.00 0.00 H new ATOM 0 HA TRP A 39 5.616 1.352 -4.862 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.429 0.048 -6.530 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.779 -0.281 -4.845 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.521 2.672 -7.054 1.00 0.00 H new ATOM 0 HE1 TRP A 39 0.988 4.190 -5.626 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.114 0.320 -2.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.170 4.326 -2.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.920 1.205 -0.593 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.465 3.182 -0.785 1.00 0.00 H new ATOM 543 N ARG A 40 6.772 -0.821 -5.323 1.00 0.00 N ATOM 544 CA ARG A 40 7.646 -1.946 -5.635 1.00 0.00 C ATOM 545 C ARG A 40 7.565 -3.014 -4.549 1.00 0.00 C ATOM 546 O ARG A 40 7.590 -2.707 -3.357 1.00 0.00 O ATOM 547 CB ARG A 40 9.091 -1.469 -5.789 1.00 0.00 C ATOM 548 CG ARG A 40 9.274 -0.420 -6.874 1.00 0.00 C ATOM 549 CD ARG A 40 10.560 0.367 -6.677 1.00 0.00 C ATOM 550 NE ARG A 40 10.969 1.061 -7.895 1.00 0.00 N ATOM 551 CZ ARG A 40 12.222 1.421 -8.150 1.00 0.00 C ATOM 552 NH1 ARG A 40 13.183 1.155 -7.275 1.00 0.00 N ATOM 553 NH2 ARG A 40 12.516 2.049 -9.281 1.00 0.00 N ATOM 0 H ARG A 40 6.726 -0.584 -4.332 1.00 0.00 H new ATOM 0 HA ARG A 40 7.313 -2.383 -6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.433 -1.060 -4.838 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.726 -2.326 -6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.288 -0.904 -7.851 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.424 0.262 -6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.422 1.093 -5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.354 -0.309 -6.361 1.00 0.00 H new ATOM 0 HE ARG A 40 10.254 1.281 -8.588 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.961 0.673 -6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.144 1.432 -7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.780 2.256 -9.956 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.478 2.325 -9.476 1.00 0.00 H new ATOM 567 N LYS A 41 7.467 -4.271 -4.968 1.00 0.00 N ATOM 568 CA LYS A 41 7.383 -5.386 -4.033 1.00 0.00 C ATOM 569 C LYS A 41 8.742 -6.059 -3.864 1.00 0.00 C ATOM 570 O LYS A 41 9.187 -6.808 -4.733 1.00 0.00 O ATOM 571 CB LYS A 41 6.353 -6.409 -4.517 1.00 0.00 C ATOM 572 CG LYS A 41 5.880 -7.358 -3.430 1.00 0.00 C ATOM 573 CD LYS A 41 5.008 -8.466 -3.997 1.00 0.00 C ATOM 574 CE LYS A 41 5.846 -9.630 -4.504 1.00 0.00 C ATOM 575 NZ LYS A 41 5.007 -10.820 -4.820 1.00 0.00 N ATOM 0 H LYS A 41 7.444 -4.543 -5.951 1.00 0.00 H new ATOM 0 HA LYS A 41 7.069 -4.993 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.492 -5.880 -4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.786 -6.990 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.743 -7.794 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.320 -6.802 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.320 -8.819 -3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.400 -8.072 -4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.392 -9.323 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.588 -9.898 -3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.614 -11.592 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.505 -11.128 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.315 -10.572 -5.556 1.00 0.00 H new ATOM 589 N GLY A 42 9.396 -5.786 -2.739 1.00 0.00 N ATOM 590 CA GLY A 42 10.697 -6.374 -2.477 1.00 0.00 C ATOM 591 C GLY A 42 11.715 -6.029 -3.545 1.00 0.00 C ATOM 592 O GLY A 42 12.337 -4.966 -3.500 1.00 0.00 O ATOM 0 H GLY A 42 9.049 -5.169 -2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.060 -6.029 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.596 -7.457 -2.412 1.00 0.00 H new ATOM 596 N LEU A 43 11.889 -6.927 -4.508 1.00 0.00 N ATOM 597 CA LEU A 43 12.841 -6.713 -5.592 1.00 0.00 C ATOM 598 C LEU A 43 12.153 -6.820 -6.949 1.00 0.00 C ATOM 599 O LEU A 43 12.475 -7.696 -7.751 1.00 0.00 O ATOM 600 CB LEU A 43 13.981 -7.729 -5.504 1.00 0.00 C ATOM 601 CG LEU A 43 15.000 -7.500 -4.386 1.00 0.00 C ATOM 602 CD1 LEU A 43 14.466 -8.026 -3.063 1.00 0.00 C ATOM 603 CD2 LEU A 43 16.326 -8.162 -4.730 1.00 0.00 C ATOM 0 H LEU A 43 11.383 -7.811 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 43 13.250 -5.708 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.548 -8.721 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.511 -7.733 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 43 15.168 -6.428 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 43 15.204 -7.855 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.542 -7.506 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 43 14.269 -9.095 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.039 -7.989 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.175 -9.234 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 43 16.715 -7.738 -5.656 1.00 0.00 H new ATOM 615 N GLU A 44 11.207 -5.920 -7.200 1.00 0.00 N ATOM 616 CA GLU A 44 10.476 -5.913 -8.461 1.00 0.00 C ATOM 617 C GLU A 44 9.739 -4.591 -8.655 1.00 0.00 C ATOM 618 O GLU A 44 9.689 -3.758 -7.751 1.00 0.00 O ATOM 619 CB GLU A 44 9.481 -7.075 -8.506 1.00 0.00 C ATOM 620 CG GLU A 44 8.840 -7.275 -9.869 1.00 0.00 C ATOM 621 CD GLU A 44 8.264 -8.666 -10.044 1.00 0.00 C ATOM 622 OE1 GLU A 44 7.723 -9.213 -9.060 1.00 0.00 O ATOM 623 OE2 GLU A 44 8.353 -9.208 -11.166 1.00 0.00 O ATOM 0 H GLU A 44 10.929 -5.187 -6.547 1.00 0.00 H new ATOM 0 HA GLU A 44 11.197 -6.030 -9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.993 -7.992 -8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.698 -6.901 -7.768 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.048 -6.538 -10.006 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.583 -7.093 -10.646 1.00 0.00 H new ATOM 630 N ALA A 45 9.169 -4.406 -9.842 1.00 0.00 N ATOM 631 CA ALA A 45 8.434 -3.187 -10.155 1.00 0.00 C ATOM 632 C ALA A 45 6.977 -3.494 -10.483 1.00 0.00 C ATOM 633 O ALA A 45 6.667 -4.010 -11.558 1.00 0.00 O ATOM 634 CB ALA A 45 9.095 -2.455 -11.314 1.00 0.00 C ATOM 0 H ALA A 45 9.202 -5.085 -10.602 1.00 0.00 H new ATOM 0 HA ALA A 45 8.454 -2.544 -9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.536 -1.547 -11.537 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.118 -2.194 -11.043 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.105 -3.100 -12.193 1.00 0.00 H new ATOM 640 N LEU A 46 6.086 -3.175 -9.551 1.00 0.00 N ATOM 641 CA LEU A 46 4.660 -3.417 -9.741 1.00 0.00 C ATOM 642 C LEU A 46 4.083 -2.475 -10.792 1.00 0.00 C ATOM 643 O LEU A 46 4.438 -1.297 -10.847 1.00 0.00 O ATOM 644 CB LEU A 46 3.912 -3.243 -8.418 1.00 0.00 C ATOM 645 CG LEU A 46 4.403 -4.101 -7.252 1.00 0.00 C ATOM 646 CD1 LEU A 46 3.885 -3.554 -5.931 1.00 0.00 C ATOM 647 CD2 LEU A 46 3.972 -5.549 -7.437 1.00 0.00 C ATOM 0 H LEU A 46 6.326 -2.748 -8.656 1.00 0.00 H new ATOM 0 HA LEU A 46 4.534 -4.442 -10.090 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.974 -2.195 -8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.858 -3.464 -8.588 1.00 0.00 H new ATOM 0 HG LEU A 46 5.492 -4.066 -7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.245 -4.178 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.243 -2.534 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.795 -3.558 -5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.330 -6.145 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.884 -5.602 -7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.393 -5.938 -8.364 1.00 0.00 H new ATOM 659 N ARG A 47 3.189 -3.000 -11.624 1.00 0.00 N ATOM 660 CA ARG A 47 2.562 -2.205 -12.673 1.00 0.00 C ATOM 661 C ARG A 47 1.048 -2.157 -12.487 1.00 0.00 C ATOM 662 O ARG A 47 0.425 -3.155 -12.123 1.00 0.00 O ATOM 663 CB ARG A 47 2.899 -2.781 -14.049 1.00 0.00 C ATOM 664 CG ARG A 47 2.239 -4.122 -14.327 1.00 0.00 C ATOM 665 CD ARG A 47 2.801 -4.771 -15.582 1.00 0.00 C ATOM 666 NE ARG A 47 2.449 -4.025 -16.788 1.00 0.00 N ATOM 667 CZ ARG A 47 2.960 -4.282 -17.987 1.00 0.00 C ATOM 668 NH1 ARG A 47 3.840 -5.262 -18.139 1.00 0.00 N ATOM 669 NH2 ARG A 47 2.590 -3.559 -19.036 1.00 0.00 N ATOM 0 H ARG A 47 2.883 -3.972 -11.592 1.00 0.00 H new ATOM 0 HA ARG A 47 2.952 -1.189 -12.606 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.593 -2.069 -14.816 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.980 -2.894 -14.131 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.388 -4.786 -13.475 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.164 -3.983 -14.438 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.886 -4.838 -15.501 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.424 -5.790 -15.663 1.00 0.00 H new ATOM 0 HE ARG A 47 1.774 -3.265 -16.705 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.126 -5.820 -17.335 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.231 -5.458 -19.060 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.913 -2.805 -18.922 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.983 -3.757 -19.956 1.00 0.00 H new ATOM 683 N ASP A 48 0.463 -0.991 -12.738 1.00 0.00 N ATOM 684 CA ASP A 48 -0.978 -0.813 -12.599 1.00 0.00 C ATOM 685 C ASP A 48 -1.715 -1.385 -13.805 1.00 0.00 C ATOM 686 O ASP A 48 -1.618 -0.858 -14.913 1.00 0.00 O ATOM 687 CB ASP A 48 -1.316 0.670 -12.435 1.00 0.00 C ATOM 688 CG ASP A 48 -0.536 1.551 -13.391 1.00 0.00 C ATOM 689 OD1 ASP A 48 -0.737 1.419 -14.616 1.00 0.00 O ATOM 690 OD2 ASP A 48 0.276 2.371 -12.914 1.00 0.00 O ATOM 0 H ASP A 48 0.964 -0.155 -13.039 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.302 -1.352 -11.709 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.384 0.817 -12.599 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.106 0.976 -11.410 1.00 0.00 H new ATOM 695 N GLY A 49 -2.453 -2.469 -13.582 1.00 0.00 N ATOM 696 CA GLY A 49 -3.195 -3.095 -14.661 1.00 0.00 C ATOM 697 C GLY A 49 -4.344 -3.945 -14.156 1.00 0.00 C ATOM 698 O GLY A 49 -5.384 -3.421 -13.756 1.00 0.00 O ATOM 0 H GLY A 49 -2.550 -2.924 -12.674 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.583 -2.324 -15.327 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.520 -3.715 -15.250 1.00 0.00 H new ATOM 702 N ASP A 50 -4.158 -5.261 -14.175 1.00 0.00 N ATOM 703 CA ASP A 50 -5.188 -6.185 -13.716 1.00 0.00 C ATOM 704 C ASP A 50 -4.817 -6.786 -12.364 1.00 0.00 C ATOM 705 O ASP A 50 -5.623 -6.794 -11.433 1.00 0.00 O ATOM 706 CB ASP A 50 -5.397 -7.300 -14.743 1.00 0.00 C ATOM 707 CG ASP A 50 -5.823 -6.767 -16.097 1.00 0.00 C ATOM 708 OD1 ASP A 50 -6.853 -6.063 -16.161 1.00 0.00 O ATOM 709 OD2 ASP A 50 -5.126 -7.054 -17.092 1.00 0.00 O ATOM 0 H ASP A 50 -3.304 -5.711 -14.503 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.117 -5.626 -13.602 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.472 -7.867 -14.853 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.153 -7.993 -14.374 1.00 0.00 H new ATOM 714 N LYS A 51 -3.591 -7.288 -12.262 1.00 0.00 N ATOM 715 CA LYS A 51 -3.110 -7.890 -11.025 1.00 0.00 C ATOM 716 C LYS A 51 -3.293 -6.937 -9.848 1.00 0.00 C ATOM 717 O LYS A 51 -3.824 -7.317 -8.805 1.00 0.00 O ATOM 718 CB LYS A 51 -1.635 -8.275 -11.159 1.00 0.00 C ATOM 719 CG LYS A 51 -1.021 -8.791 -9.869 1.00 0.00 C ATOM 720 CD LYS A 51 -1.681 -10.083 -9.416 1.00 0.00 C ATOM 721 CE LYS A 51 -1.136 -10.546 -8.074 1.00 0.00 C ATOM 722 NZ LYS A 51 -1.330 -12.008 -7.871 1.00 0.00 N ATOM 0 H LYS A 51 -2.912 -7.290 -13.023 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.697 -8.789 -10.837 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.536 -9.040 -11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.071 -7.406 -11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.046 -8.958 -10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.123 -8.036 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.758 -9.936 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.517 -10.859 -10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.074 -10.309 -8.012 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.632 -9.999 -7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.945 -12.284 -6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.345 -12.231 -7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.835 -12.531 -8.621 1.00 0.00 H new ATOM 736 N TYR A 52 -2.852 -5.696 -10.025 1.00 0.00 N ATOM 737 CA TYR A 52 -2.966 -4.688 -8.977 1.00 0.00 C ATOM 738 C TYR A 52 -3.882 -3.549 -9.415 1.00 0.00 C ATOM 739 O TYR A 52 -4.157 -3.380 -10.603 1.00 0.00 O ATOM 740 CB TYR A 52 -1.585 -4.138 -8.618 1.00 0.00 C ATOM 741 CG TYR A 52 -0.599 -5.204 -8.196 1.00 0.00 C ATOM 742 CD1 TYR A 52 -0.566 -5.667 -6.886 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.299 -5.746 -9.105 1.00 0.00 C ATOM 744 CE1 TYR A 52 0.333 -6.641 -6.495 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.201 -6.721 -8.724 1.00 0.00 C ATOM 746 CZ TYR A 52 1.214 -7.165 -7.418 1.00 0.00 C ATOM 747 OH TYR A 52 2.112 -8.134 -7.034 1.00 0.00 O ATOM 0 H TYR A 52 -2.413 -5.364 -10.884 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.401 -5.162 -8.097 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.182 -3.602 -9.477 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.691 -3.413 -7.811 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.255 -5.259 -6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.293 -5.400 -10.128 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.346 -6.990 -5.473 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.892 -7.133 -9.445 1.00 0.00 H new ATOM 0 HH TYR A 52 2.659 -8.396 -7.804 1.00 0.00 H new ATOM 757 N SER A 53 -4.351 -2.770 -8.445 1.00 0.00 N ATOM 758 CA SER A 53 -5.239 -1.648 -8.728 1.00 0.00 C ATOM 759 C SER A 53 -4.705 -0.363 -8.104 1.00 0.00 C ATOM 760 O SER A 53 -4.702 -0.206 -6.882 1.00 0.00 O ATOM 761 CB SER A 53 -6.645 -1.939 -8.202 1.00 0.00 C ATOM 762 OG SER A 53 -7.615 -1.164 -8.885 1.00 0.00 O ATOM 0 H SER A 53 -4.131 -2.895 -7.457 1.00 0.00 H new ATOM 0 HA SER A 53 -5.284 -1.515 -9.809 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.870 -2.999 -8.323 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.689 -1.724 -7.134 1.00 0.00 H new ATOM 0 HG SER A 53 -8.506 -1.369 -8.532 1.00 0.00 H new ATOM 768 N LEU A 54 -4.253 0.556 -8.951 1.00 0.00 N ATOM 769 CA LEU A 54 -3.717 1.829 -8.484 1.00 0.00 C ATOM 770 C LEU A 54 -4.708 2.962 -8.732 1.00 0.00 C ATOM 771 O LEU A 54 -5.193 3.142 -9.850 1.00 0.00 O ATOM 772 CB LEU A 54 -2.391 2.134 -9.185 1.00 0.00 C ATOM 773 CG LEU A 54 -1.143 1.509 -8.560 1.00 0.00 C ATOM 774 CD1 LEU A 54 -0.941 2.023 -7.143 1.00 0.00 C ATOM 775 CD2 LEU A 54 -1.245 -0.009 -8.570 1.00 0.00 C ATOM 0 H LEU A 54 -4.247 0.443 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.545 1.750 -7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.463 1.796 -10.219 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.257 3.215 -9.211 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.277 1.799 -9.156 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.048 1.567 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.822 3.106 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.808 1.764 -6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.348 -0.437 -8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.120 -0.319 -7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.340 -0.361 -9.597 1.00 0.00 H new ATOM 787 N ARG A 55 -5.004 3.723 -7.684 1.00 0.00 N ATOM 788 CA ARG A 55 -5.936 4.838 -7.788 1.00 0.00 C ATOM 789 C ARG A 55 -5.334 6.108 -7.193 1.00 0.00 C ATOM 790 O ARG A 55 -5.988 6.814 -6.425 1.00 0.00 O ATOM 791 CB ARG A 55 -7.249 4.502 -7.078 1.00 0.00 C ATOM 792 CG ARG A 55 -7.088 4.250 -5.588 1.00 0.00 C ATOM 793 CD ARG A 55 -8.429 4.000 -4.917 1.00 0.00 C ATOM 794 NE ARG A 55 -9.318 5.154 -5.024 1.00 0.00 N ATOM 795 CZ ARG A 55 -10.102 5.383 -6.073 1.00 0.00 C ATOM 796 NH1 ARG A 55 -10.106 4.541 -7.097 1.00 0.00 N ATOM 797 NH2 ARG A 55 -10.883 6.455 -6.097 1.00 0.00 N ATOM 0 H ARG A 55 -4.611 3.587 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.137 5.013 -8.845 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.952 5.322 -7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.688 3.619 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.436 3.391 -5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.602 5.108 -5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.906 3.132 -5.372 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.269 3.762 -3.865 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.338 5.820 -4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.507 3.716 -7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.708 4.718 -7.901 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.882 7.104 -5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.484 6.630 -6.902 1.00 0.00 H new ATOM 811 N GLN A 56 -4.086 6.389 -7.552 1.00 0.00 N ATOM 812 CA GLN A 56 -3.396 7.573 -7.051 1.00 0.00 C ATOM 813 C GLN A 56 -4.316 8.789 -7.075 1.00 0.00 C ATOM 814 O GLN A 56 -4.837 9.165 -8.124 1.00 0.00 O ATOM 815 CB GLN A 56 -2.144 7.849 -7.885 1.00 0.00 C ATOM 816 CG GLN A 56 -1.100 8.680 -7.156 1.00 0.00 C ATOM 817 CD GLN A 56 -1.376 10.168 -7.240 1.00 0.00 C ATOM 818 OE1 GLN A 56 -2.291 10.603 -7.938 1.00 0.00 O ATOM 819 NE2 GLN A 56 -0.583 10.958 -6.525 1.00 0.00 N ATOM 0 H GLN A 56 -3.532 5.814 -8.187 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.102 7.383 -6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.698 6.900 -8.182 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.433 8.365 -8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.068 8.379 -6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.117 8.472 -7.578 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.164 10.554 -5.960 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.721 11.968 -6.541 1.00 0.00 H new ATOM 828 N ASP A 57 -4.510 9.400 -5.911 1.00 0.00 N ATOM 829 CA ASP A 57 -5.366 10.575 -5.798 1.00 0.00 C ATOM 830 C ASP A 57 -4.547 11.812 -5.442 1.00 0.00 C ATOM 831 O ASP A 57 -3.349 11.721 -5.178 1.00 0.00 O ATOM 832 CB ASP A 57 -6.449 10.344 -4.742 1.00 0.00 C ATOM 833 CG ASP A 57 -7.675 9.657 -5.311 1.00 0.00 C ATOM 834 OD1 ASP A 57 -8.374 10.281 -6.136 1.00 0.00 O ATOM 835 OD2 ASP A 57 -7.936 8.497 -4.930 1.00 0.00 O ATOM 0 H ASP A 57 -4.086 9.101 -5.033 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.841 10.742 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.040 9.739 -3.933 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.740 11.301 -4.309 1.00 0.00 H new ATOM 840 N GLY A 58 -5.203 12.969 -5.439 1.00 0.00 N ATOM 841 CA GLY A 58 -4.520 14.208 -5.116 1.00 0.00 C ATOM 842 C GLY A 58 -3.798 14.142 -3.784 1.00 0.00 C ATOM 843 O GLY A 58 -4.420 14.253 -2.728 1.00 0.00 O ATOM 0 H GLY A 58 -6.195 13.070 -5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.803 14.440 -5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.243 15.023 -5.094 1.00 0.00 H new ATOM 847 N ALA A 59 -2.483 13.959 -3.834 1.00 0.00 N ATOM 848 CA ALA A 59 -1.677 13.878 -2.622 1.00 0.00 C ATOM 849 C ALA A 59 -1.984 12.605 -1.842 1.00 0.00 C ATOM 850 O ALA A 59 -1.788 12.547 -0.628 1.00 0.00 O ATOM 851 CB ALA A 59 -1.910 15.104 -1.751 1.00 0.00 C ATOM 0 H ALA A 59 -1.953 13.864 -4.700 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.627 13.848 -2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.302 15.031 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.632 16.001 -2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.963 15.159 -1.475 1.00 0.00 H new ATOM 857 N VAL A 60 -2.468 11.587 -2.546 1.00 0.00 N ATOM 858 CA VAL A 60 -2.803 10.314 -1.918 1.00 0.00 C ATOM 859 C VAL A 60 -2.492 9.145 -2.846 1.00 0.00 C ATOM 860 O VAL A 60 -2.598 9.264 -4.068 1.00 0.00 O ATOM 861 CB VAL A 60 -4.290 10.258 -1.521 1.00 0.00 C ATOM 862 CG1 VAL A 60 -4.605 8.949 -0.813 1.00 0.00 C ATOM 863 CG2 VAL A 60 -4.653 11.448 -0.645 1.00 0.00 C ATOM 0 H VAL A 60 -2.637 11.619 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.191 10.234 -1.019 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.892 10.307 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.660 8.928 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.385 8.114 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.996 8.866 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.707 11.392 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.045 11.433 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.467 12.372 -1.192 1.00 0.00 H new ATOM 873 N CYS A 61 -2.109 8.017 -2.259 1.00 0.00 N ATOM 874 CA CYS A 61 -1.781 6.825 -3.034 1.00 0.00 C ATOM 875 C CYS A 61 -2.279 5.566 -2.331 1.00 0.00 C ATOM 876 O CYS A 61 -1.881 5.276 -1.203 1.00 0.00 O ATOM 877 CB CYS A 61 -0.271 6.736 -3.258 1.00 0.00 C ATOM 878 SG CYS A 61 0.510 8.316 -3.662 1.00 0.00 S ATOM 0 H CYS A 61 -2.018 7.902 -1.250 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.280 6.901 -4.000 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.195 6.332 -2.360 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.075 6.029 -4.065 1.00 0.00 H new ATOM 0 HG CYS A 61 1.541 8.500 -2.892 1.00 0.00 H new ATOM 884 N GLU A 62 -3.153 4.825 -3.004 1.00 0.00 N ATOM 885 CA GLU A 62 -3.706 3.598 -2.442 1.00 0.00 C ATOM 886 C GLU A 62 -3.423 2.406 -3.351 1.00 0.00 C ATOM 887 O GLU A 62 -3.855 2.374 -4.504 1.00 0.00 O ATOM 888 CB GLU A 62 -5.214 3.744 -2.229 1.00 0.00 C ATOM 889 CG GLU A 62 -5.933 2.418 -2.043 1.00 0.00 C ATOM 890 CD GLU A 62 -7.392 2.594 -1.669 1.00 0.00 C ATOM 891 OE1 GLU A 62 -7.673 3.358 -0.721 1.00 0.00 O ATOM 892 OE2 GLU A 62 -8.253 1.968 -2.322 1.00 0.00 O ATOM 0 H GLU A 62 -3.493 5.052 -3.938 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.225 3.421 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.390 4.369 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.645 4.265 -3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.865 1.840 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.430 1.842 -1.267 1.00 0.00 H new ATOM 899 N LEU A 63 -2.693 1.429 -2.826 1.00 0.00 N ATOM 900 CA LEU A 63 -2.350 0.234 -3.589 1.00 0.00 C ATOM 901 C LEU A 63 -3.189 -0.958 -3.140 1.00 0.00 C ATOM 902 O LEU A 63 -3.154 -1.349 -1.974 1.00 0.00 O ATOM 903 CB LEU A 63 -0.862 -0.086 -3.432 1.00 0.00 C ATOM 904 CG LEU A 63 -0.430 -1.491 -3.856 1.00 0.00 C ATOM 905 CD1 LEU A 63 -0.307 -1.577 -5.369 1.00 0.00 C ATOM 906 CD2 LEU A 63 0.885 -1.867 -3.189 1.00 0.00 C ATOM 0 H LEU A 63 -2.327 1.441 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.564 0.430 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.292 0.639 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.588 0.057 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.193 -2.199 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.001 -2.583 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.270 -1.350 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.437 -0.859 -5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.178 -2.869 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.658 -1.156 -3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.763 -1.846 -2.106 1.00 0.00 H new ATOM 918 N GLN A 64 -3.939 -1.533 -4.075 1.00 0.00 N ATOM 919 CA GLN A 64 -4.786 -2.682 -3.775 1.00 0.00 C ATOM 920 C GLN A 64 -4.254 -3.941 -4.452 1.00 0.00 C ATOM 921 O GLN A 64 -4.024 -3.957 -5.661 1.00 0.00 O ATOM 922 CB GLN A 64 -6.223 -2.414 -4.226 1.00 0.00 C ATOM 923 CG GLN A 64 -7.026 -1.586 -3.237 1.00 0.00 C ATOM 924 CD GLN A 64 -8.430 -1.291 -3.727 1.00 0.00 C ATOM 925 OE1 GLN A 64 -8.665 -0.296 -4.413 1.00 0.00 O ATOM 926 NE2 GLN A 64 -9.374 -2.158 -3.377 1.00 0.00 N ATOM 0 H GLN A 64 -3.977 -1.222 -5.046 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.775 -2.839 -2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.204 -1.899 -5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.729 -3.366 -4.385 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.081 -2.116 -2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.506 -0.647 -3.049 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.135 -2.970 -2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.338 -2.012 -3.678 1.00 0.00 H new ATOM 935 N ILE A 65 -4.060 -4.993 -3.664 1.00 0.00 N ATOM 936 CA ILE A 65 -3.556 -6.256 -4.187 1.00 0.00 C ATOM 937 C ILE A 65 -4.677 -7.280 -4.326 1.00 0.00 C ATOM 938 O ILE A 65 -5.498 -7.444 -3.424 1.00 0.00 O ATOM 939 CB ILE A 65 -2.452 -6.839 -3.285 1.00 0.00 C ATOM 940 CG1 ILE A 65 -1.283 -5.858 -3.173 1.00 0.00 C ATOM 941 CG2 ILE A 65 -1.977 -8.179 -3.828 1.00 0.00 C ATOM 942 CD1 ILE A 65 -1.432 -4.867 -2.040 1.00 0.00 C ATOM 0 H ILE A 65 -4.244 -4.995 -2.661 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.136 -6.045 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.864 -6.998 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.360 -6.420 -3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.186 -5.312 -4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.197 -8.578 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.814 -8.876 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.579 -8.044 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.567 -4.203 -2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.338 -4.279 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.498 -5.404 -1.094 1.00 0.00 H new ATOM 954 N HIS A 66 -4.705 -7.969 -5.463 1.00 0.00 N ATOM 955 CA HIS A 66 -5.724 -8.980 -5.720 1.00 0.00 C ATOM 956 C HIS A 66 -5.197 -10.376 -5.402 1.00 0.00 C ATOM 957 O HIS A 66 -4.152 -10.785 -5.906 1.00 0.00 O ATOM 958 CB HIS A 66 -6.182 -8.914 -7.177 1.00 0.00 C ATOM 959 CG HIS A 66 -7.100 -7.766 -7.466 1.00 0.00 C ATOM 960 ND1 HIS A 66 -8.213 -7.483 -6.703 1.00 0.00 N ATOM 961 CD2 HIS A 66 -7.063 -6.827 -8.440 1.00 0.00 C ATOM 962 CE1 HIS A 66 -8.822 -6.420 -7.196 1.00 0.00 C ATOM 963 NE2 HIS A 66 -8.145 -6.002 -8.250 1.00 0.00 N ATOM 0 H HIS A 66 -4.033 -7.845 -6.221 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.575 -8.776 -5.070 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -5.306 -8.839 -7.821 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.687 -9.845 -7.433 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.322 -6.742 -9.221 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.721 -5.969 -6.804 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -8.386 -5.198 -8.829 1.00 0.00 H new ATOM 971 N GLY A 67 -5.928 -11.103 -4.562 1.00 0.00 N ATOM 972 CA GLY A 67 -5.518 -12.444 -4.191 1.00 0.00 C ATOM 973 C GLY A 67 -4.269 -12.452 -3.331 1.00 0.00 C ATOM 974 O GLY A 67 -3.155 -12.318 -3.840 1.00 0.00 O ATOM 0 H GLY A 67 -6.797 -10.786 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.330 -12.933 -3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.338 -13.028 -5.093 1.00 0.00 H new ATOM 978 N LEU A 68 -4.454 -12.606 -2.025 1.00 0.00 N ATOM 979 CA LEU A 68 -3.333 -12.628 -1.091 1.00 0.00 C ATOM 980 C LEU A 68 -2.890 -14.060 -0.806 1.00 0.00 C ATOM 981 O LEU A 68 -3.652 -15.006 -1.003 1.00 0.00 O ATOM 982 CB LEU A 68 -3.717 -11.931 0.215 1.00 0.00 C ATOM 983 CG LEU A 68 -3.761 -10.403 0.173 1.00 0.00 C ATOM 984 CD1 LEU A 68 -4.678 -9.866 1.260 1.00 0.00 C ATOM 985 CD2 LEU A 68 -2.361 -9.826 0.320 1.00 0.00 C ATOM 0 H LEU A 68 -5.369 -12.717 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.500 -12.094 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.698 -12.294 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.009 -12.233 0.986 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.159 -10.096 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.697 -8.777 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.686 -10.253 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.310 -10.182 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.411 -8.738 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.935 -10.142 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.732 -10.185 -0.495 1.00 0.00 H new ATOM 997 N ALA A 69 -1.655 -14.210 -0.340 1.00 0.00 N ATOM 998 CA ALA A 69 -1.113 -15.525 -0.023 1.00 0.00 C ATOM 999 C ALA A 69 0.242 -15.409 0.667 1.00 0.00 C ATOM 1000 O ALA A 69 0.740 -14.307 0.895 1.00 0.00 O ATOM 1001 CB ALA A 69 -0.993 -16.365 -1.286 1.00 0.00 C ATOM 0 H ALA A 69 -1.011 -13.437 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.801 -16.018 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.587 -17.345 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.978 -16.486 -1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.328 -15.867 -1.992 1.00 0.00 H new ATOM 1007 N MET A 70 0.833 -16.553 0.997 1.00 0.00 N ATOM 1008 CA MET A 70 2.132 -16.578 1.661 1.00 0.00 C ATOM 1009 C MET A 70 3.197 -15.912 0.796 1.00 0.00 C ATOM 1010 O MET A 70 4.270 -15.555 1.282 1.00 0.00 O ATOM 1011 CB MET A 70 2.540 -18.018 1.974 1.00 0.00 C ATOM 1012 CG MET A 70 1.796 -18.617 3.157 1.00 0.00 C ATOM 1013 SD MET A 70 0.083 -19.023 2.766 1.00 0.00 S ATOM 1014 CE MET A 70 -0.783 -17.736 3.663 1.00 0.00 C ATOM 0 H MET A 70 0.434 -17.474 0.816 1.00 0.00 H new ATOM 0 HA MET A 70 2.047 -16.021 2.594 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.364 -18.636 1.094 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.611 -18.048 2.176 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.313 -19.518 3.488 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.818 -17.913 3.989 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.792 -18.073 3.900 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.249 -17.514 4.587 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.836 -16.837 3.049 1.00 0.00 H new ATOM 1024 N ALA A 71 2.894 -15.747 -0.487 1.00 0.00 N ATOM 1025 CA ALA A 71 3.825 -15.122 -1.418 1.00 0.00 C ATOM 1026 C ALA A 71 3.695 -13.603 -1.388 1.00 0.00 C ATOM 1027 O ALA A 71 4.612 -12.884 -1.786 1.00 0.00 O ATOM 1028 CB ALA A 71 3.594 -15.646 -2.828 1.00 0.00 C ATOM 0 H ALA A 71 2.010 -16.038 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 71 4.838 -15.380 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.296 -15.170 -3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.746 -16.725 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.574 -15.418 -3.138 1.00 0.00 H new ATOM 1034 N ASP A 72 2.551 -13.121 -0.916 1.00 0.00 N ATOM 1035 CA ASP A 72 2.301 -11.687 -0.834 1.00 0.00 C ATOM 1036 C ASP A 72 2.908 -11.101 0.437 1.00 0.00 C ATOM 1037 O ASP A 72 2.933 -9.885 0.622 1.00 0.00 O ATOM 1038 CB ASP A 72 0.798 -11.406 -0.872 1.00 0.00 C ATOM 1039 CG ASP A 72 0.153 -11.880 -2.160 1.00 0.00 C ATOM 1040 OD1 ASP A 72 0.209 -13.095 -2.439 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -0.407 -11.034 -2.889 1.00 0.00 O ATOM 0 H ASP A 72 1.782 -13.703 -0.584 1.00 0.00 H new ATOM 0 HA ASP A 72 2.773 -11.212 -1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.318 -11.898 -0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.628 -10.335 -0.757 1.00 0.00 H new ATOM 1046 N ASN A 73 3.396 -11.975 1.311 1.00 0.00 N ATOM 1047 CA ASN A 73 4.002 -11.545 2.566 1.00 0.00 C ATOM 1048 C ASN A 73 5.406 -10.995 2.332 1.00 0.00 C ATOM 1049 O ASN A 73 6.267 -11.678 1.779 1.00 0.00 O ATOM 1050 CB ASN A 73 4.057 -12.710 3.556 1.00 0.00 C ATOM 1051 CG ASN A 73 2.715 -12.977 4.210 1.00 0.00 C ATOM 1052 OD1 ASN A 73 2.019 -12.050 4.625 1.00 0.00 O ATOM 1053 ND2 ASN A 73 2.346 -14.249 4.306 1.00 0.00 N ATOM 0 H ASN A 73 3.384 -12.986 1.173 1.00 0.00 H new ATOM 0 HA ASN A 73 3.385 -10.750 2.985 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.390 -13.609 3.037 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.797 -12.494 4.327 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.454 -14.490 4.737 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.955 -14.985 3.948 1.00 0.00 H new ATOM 1060 N GLY A 74 5.629 -9.755 2.758 1.00 0.00 N ATOM 1061 CA GLY A 74 6.930 -9.135 2.586 1.00 0.00 C ATOM 1062 C GLY A 74 6.943 -7.686 3.030 1.00 0.00 C ATOM 1063 O GLY A 74 6.369 -7.339 4.062 1.00 0.00 O ATOM 0 H GLY A 74 4.932 -9.169 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.673 -9.693 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.221 -9.193 1.537 1.00 0.00 H new ATOM 1067 N VAL A 75 7.603 -6.835 2.249 1.00 0.00 N ATOM 1068 CA VAL A 75 7.690 -5.415 2.567 1.00 0.00 C ATOM 1069 C VAL A 75 7.526 -4.560 1.316 1.00 0.00 C ATOM 1070 O VAL A 75 8.379 -4.571 0.428 1.00 0.00 O ATOM 1071 CB VAL A 75 9.034 -5.072 3.237 1.00 0.00 C ATOM 1072 CG1 VAL A 75 10.192 -5.384 2.302 1.00 0.00 C ATOM 1073 CG2 VAL A 75 9.059 -3.611 3.661 1.00 0.00 C ATOM 0 H VAL A 75 8.085 -7.105 1.392 1.00 0.00 H new ATOM 0 HA VAL A 75 6.879 -5.196 3.262 1.00 0.00 H new ATOM 0 HB VAL A 75 9.143 -5.688 4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.133 -5.135 2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.182 -6.445 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.092 -4.796 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.015 -3.385 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.927 -2.976 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.252 -3.424 4.369 1.00 0.00 H new ATOM 1083 N TYR A 76 6.424 -3.821 1.252 1.00 0.00 N ATOM 1084 CA TYR A 76 6.146 -2.961 0.108 1.00 0.00 C ATOM 1085 C TYR A 76 6.797 -1.592 0.284 1.00 0.00 C ATOM 1086 O TYR A 76 6.785 -1.023 1.375 1.00 0.00 O ATOM 1087 CB TYR A 76 4.637 -2.799 -0.081 1.00 0.00 C ATOM 1088 CG TYR A 76 3.945 -4.064 -0.538 1.00 0.00 C ATOM 1089 CD1 TYR A 76 3.864 -5.174 0.294 1.00 0.00 C ATOM 1090 CD2 TYR A 76 3.373 -4.148 -1.801 1.00 0.00 C ATOM 1091 CE1 TYR A 76 3.234 -6.332 -0.120 1.00 0.00 C ATOM 1092 CE2 TYR A 76 2.739 -5.301 -2.222 1.00 0.00 C ATOM 1093 CZ TYR A 76 2.672 -6.390 -1.378 1.00 0.00 C ATOM 1094 OH TYR A 76 2.043 -7.541 -1.794 1.00 0.00 O ATOM 0 H TYR A 76 5.709 -3.800 1.979 1.00 0.00 H new ATOM 0 HA TYR A 76 6.568 -3.433 -0.779 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.194 -2.472 0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.453 -2.010 -0.811 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.301 -5.131 1.281 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.425 -3.298 -2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.182 -7.187 0.538 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.298 -5.349 -3.207 1.00 0.00 H new ATOM 0 HH TYR A 76 1.701 -7.416 -2.704 1.00 0.00 H new ATOM 1104 N SER A 77 7.365 -1.070 -0.799 1.00 0.00 N ATOM 1105 CA SER A 77 8.024 0.230 -0.765 1.00 0.00 C ATOM 1106 C SER A 77 7.419 1.173 -1.801 1.00 0.00 C ATOM 1107 O SER A 77 6.983 0.742 -2.869 1.00 0.00 O ATOM 1108 CB SER A 77 9.525 0.071 -1.018 1.00 0.00 C ATOM 1109 OG SER A 77 10.152 -0.614 0.053 1.00 0.00 O ATOM 0 H SER A 77 7.382 -1.528 -1.710 1.00 0.00 H new ATOM 0 HA SER A 77 7.873 0.661 0.225 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.685 -0.476 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.982 1.053 -1.144 1.00 0.00 H new ATOM 0 HG SER A 77 11.110 -0.705 -0.133 1.00 0.00 H new ATOM 1115 N CYS A 78 7.397 2.461 -1.477 1.00 0.00 N ATOM 1116 CA CYS A 78 6.846 3.466 -2.378 1.00 0.00 C ATOM 1117 C CYS A 78 7.841 4.599 -2.603 1.00 0.00 C ATOM 1118 O CYS A 78 8.110 5.392 -1.700 1.00 0.00 O ATOM 1119 CB CYS A 78 5.538 4.024 -1.814 1.00 0.00 C ATOM 1120 SG CYS A 78 4.590 5.017 -2.992 1.00 0.00 S ATOM 0 H CYS A 78 7.754 2.834 -0.597 1.00 0.00 H new ATOM 0 HA CYS A 78 6.645 2.988 -3.337 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.919 3.194 -1.473 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.763 4.634 -0.939 1.00 0.00 H new ATOM 0 HG CYS A 78 3.538 4.353 -3.371 1.00 0.00 H new ATOM 1126 N VAL A 79 8.387 4.670 -3.813 1.00 0.00 N ATOM 1127 CA VAL A 79 9.353 5.705 -4.157 1.00 0.00 C ATOM 1128 C VAL A 79 8.704 6.810 -4.983 1.00 0.00 C ATOM 1129 O VAL A 79 8.096 6.548 -6.022 1.00 0.00 O ATOM 1130 CB VAL A 79 10.543 5.124 -4.943 1.00 0.00 C ATOM 1131 CG1 VAL A 79 11.686 6.126 -5.001 1.00 0.00 C ATOM 1132 CG2 VAL A 79 11.003 3.814 -4.321 1.00 0.00 C ATOM 0 H VAL A 79 8.176 4.022 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 79 9.717 6.123 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 79 10.218 4.921 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.518 5.697 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 79 11.347 7.036 -5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.014 6.363 -3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.845 3.417 -4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.311 3.989 -3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.183 3.096 -4.338 1.00 0.00 H new ATOM 1142 N CYS A 80 8.838 8.047 -4.516 1.00 0.00 N ATOM 1143 CA CYS A 80 8.264 9.193 -5.211 1.00 0.00 C ATOM 1144 C CYS A 80 9.359 10.124 -5.721 1.00 0.00 C ATOM 1145 O CYS A 80 9.158 10.869 -6.679 1.00 0.00 O ATOM 1146 CB CYS A 80 7.319 9.958 -4.283 1.00 0.00 C ATOM 1147 SG CYS A 80 6.579 11.428 -5.032 1.00 0.00 S ATOM 0 H CYS A 80 9.339 8.281 -3.659 1.00 0.00 H new ATOM 0 HA CYS A 80 7.700 8.822 -6.067 1.00 0.00 H new ATOM 0 HB2 CYS A 80 6.522 9.288 -3.960 1.00 0.00 H new ATOM 0 HB3 CYS A 80 7.867 10.256 -3.389 1.00 0.00 H new ATOM 0 HG CYS A 80 5.882 11.081 -6.073 1.00 0.00 H new ATOM 1153 N GLY A 81 10.519 10.076 -5.072 1.00 0.00 N ATOM 1154 CA GLY A 81 11.628 10.921 -5.473 1.00 0.00 C ATOM 1155 C GLY A 81 12.848 10.733 -4.593 1.00 0.00 C ATOM 1156 O GLY A 81 13.451 9.660 -4.579 1.00 0.00 O ATOM 0 H GLY A 81 10.710 9.467 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.893 10.701 -6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.316 11.965 -5.439 1.00 0.00 H new ATOM 1160 N GLN A 82 13.212 11.779 -3.858 1.00 0.00 N ATOM 1161 CA GLN A 82 14.370 11.724 -2.973 1.00 0.00 C ATOM 1162 C GLN A 82 14.015 11.043 -1.655 1.00 0.00 C ATOM 1163 O GLN A 82 14.793 11.074 -0.702 1.00 0.00 O ATOM 1164 CB GLN A 82 14.901 13.133 -2.706 1.00 0.00 C ATOM 1165 CG GLN A 82 16.338 13.158 -2.210 1.00 0.00 C ATOM 1166 CD GLN A 82 16.436 13.067 -0.700 1.00 0.00 C ATOM 1167 OE1 GLN A 82 17.185 12.250 -0.163 1.00 0.00 O ATOM 1168 NE2 GLN A 82 15.679 13.907 -0.005 1.00 0.00 N ATOM 0 H GLN A 82 12.722 12.674 -3.858 1.00 0.00 H new ATOM 0 HA GLN A 82 15.146 11.139 -3.466 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.832 13.718 -3.623 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.262 13.619 -1.969 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.887 12.329 -2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.819 14.077 -2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.073 14.568 -0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.704 13.892 1.015 1.00 0.00 H new ATOM 1177 N GLU A 83 12.837 10.429 -1.610 1.00 0.00 N ATOM 1178 CA GLU A 83 12.380 9.742 -0.408 1.00 0.00 C ATOM 1179 C GLU A 83 11.631 8.461 -0.765 1.00 0.00 C ATOM 1180 O GLU A 83 11.204 8.277 -1.905 1.00 0.00 O ATOM 1181 CB GLU A 83 11.479 10.660 0.420 1.00 0.00 C ATOM 1182 CG GLU A 83 10.440 11.399 -0.406 1.00 0.00 C ATOM 1183 CD GLU A 83 9.169 10.596 -0.601 1.00 0.00 C ATOM 1184 OE1 GLU A 83 9.249 9.493 -1.183 1.00 0.00 O ATOM 1185 OE2 GLU A 83 8.096 11.069 -0.173 1.00 0.00 O ATOM 0 H GLU A 83 12.182 10.393 -2.391 1.00 0.00 H new ATOM 0 HA GLU A 83 13.256 9.477 0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.971 10.067 1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.099 11.387 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.197 12.343 0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.863 11.644 -1.380 1.00 0.00 H new ATOM 1192 N ARG A 84 11.475 7.580 0.218 1.00 0.00 N ATOM 1193 CA ARG A 84 10.779 6.317 0.008 1.00 0.00 C ATOM 1194 C ARG A 84 10.408 5.672 1.340 1.00 0.00 C ATOM 1195 O ARG A 84 11.212 5.638 2.272 1.00 0.00 O ATOM 1196 CB ARG A 84 11.649 5.360 -0.809 1.00 0.00 C ATOM 1197 CG ARG A 84 12.740 4.684 0.006 1.00 0.00 C ATOM 1198 CD ARG A 84 13.851 5.657 0.365 1.00 0.00 C ATOM 1199 NE ARG A 84 14.801 5.078 1.311 1.00 0.00 N ATOM 1200 CZ ARG A 84 15.675 5.796 2.008 1.00 0.00 C ATOM 1201 NH1 ARG A 84 15.718 7.114 1.866 1.00 0.00 N ATOM 1202 NH2 ARG A 84 16.507 5.197 2.850 1.00 0.00 N ATOM 0 H ARG A 84 11.821 7.718 1.167 1.00 0.00 H new ATOM 0 HA ARG A 84 9.862 6.524 -0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.013 4.595 -1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.108 5.911 -1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.310 4.269 0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.154 3.850 -0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.378 5.956 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.417 6.560 0.794 1.00 0.00 H new ATOM 0 HE ARG A 84 14.793 4.067 1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.079 7.579 1.221 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.390 7.663 2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.476 4.184 2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.177 5.750 3.384 1.00 0.00 H new ATOM 1216 N THR A 85 9.183 5.162 1.424 1.00 0.00 N ATOM 1217 CA THR A 85 8.704 4.521 2.642 1.00 0.00 C ATOM 1218 C THR A 85 8.563 3.015 2.452 1.00 0.00 C ATOM 1219 O THR A 85 8.649 2.511 1.332 1.00 0.00 O ATOM 1220 CB THR A 85 7.347 5.100 3.086 1.00 0.00 C ATOM 1221 OG1 THR A 85 6.893 4.432 4.268 1.00 0.00 O ATOM 1222 CG2 THR A 85 6.309 4.952 1.984 1.00 0.00 C ATOM 0 H THR A 85 8.505 5.181 0.663 1.00 0.00 H new ATOM 0 HA THR A 85 9.446 4.719 3.416 1.00 0.00 H new ATOM 0 HB THR A 85 7.481 6.161 3.297 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.227 4.988 4.723 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.359 5.368 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.644 5.486 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.179 3.896 1.746 1.00 0.00 H new ATOM 1230 N SER A 86 8.345 2.302 3.552 1.00 0.00 N ATOM 1231 CA SER A 86 8.196 0.852 3.506 1.00 0.00 C ATOM 1232 C SER A 86 7.172 0.379 4.533 1.00 0.00 C ATOM 1233 O SER A 86 7.058 0.946 5.619 1.00 0.00 O ATOM 1234 CB SER A 86 9.542 0.171 3.760 1.00 0.00 C ATOM 1235 OG SER A 86 9.993 0.410 5.081 1.00 0.00 O ATOM 0 H SER A 86 8.268 2.705 4.486 1.00 0.00 H new ATOM 0 HA SER A 86 7.841 0.579 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.447 -0.902 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.280 0.540 3.048 1.00 0.00 H new ATOM 0 HG SER A 86 10.854 -0.037 5.219 1.00 0.00 H new ATOM 1241 N ALA A 87 6.429 -0.666 4.181 1.00 0.00 N ATOM 1242 CA ALA A 87 5.416 -1.218 5.072 1.00 0.00 C ATOM 1243 C ALA A 87 5.466 -2.742 5.083 1.00 0.00 C ATOM 1244 O ALA A 87 6.121 -3.358 4.242 1.00 0.00 O ATOM 1245 CB ALA A 87 4.033 -0.736 4.661 1.00 0.00 C ATOM 0 H ALA A 87 6.510 -1.147 3.285 1.00 0.00 H new ATOM 0 HA ALA A 87 5.626 -0.867 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.286 -1.156 5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.997 0.352 4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.824 -1.058 3.641 1.00 0.00 H new ATOM 1251 N THR A 88 4.769 -3.345 6.041 1.00 0.00 N ATOM 1252 CA THR A 88 4.736 -4.797 6.162 1.00 0.00 C ATOM 1253 C THR A 88 3.304 -5.319 6.130 1.00 0.00 C ATOM 1254 O THR A 88 2.443 -4.845 6.873 1.00 0.00 O ATOM 1255 CB THR A 88 5.412 -5.268 7.464 1.00 0.00 C ATOM 1256 OG1 THR A 88 6.773 -4.822 7.498 1.00 0.00 O ATOM 1257 CG2 THR A 88 5.367 -6.784 7.579 1.00 0.00 C ATOM 0 H THR A 88 4.220 -2.850 6.744 1.00 0.00 H new ATOM 0 HA THR A 88 5.286 -5.197 5.310 1.00 0.00 H new ATOM 0 HB THR A 88 4.868 -4.839 8.306 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.195 -5.124 8.329 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.850 -7.093 8.506 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.329 -7.118 7.582 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.889 -7.229 6.732 1.00 0.00 H new ATOM 1265 N LEU A 89 3.055 -6.296 5.266 1.00 0.00 N ATOM 1266 CA LEU A 89 1.725 -6.884 5.138 1.00 0.00 C ATOM 1267 C LEU A 89 1.672 -8.260 5.794 1.00 0.00 C ATOM 1268 O LEU A 89 2.500 -9.127 5.512 1.00 0.00 O ATOM 1269 CB LEU A 89 1.335 -6.994 3.663 1.00 0.00 C ATOM 1270 CG LEU A 89 0.180 -7.944 3.343 1.00 0.00 C ATOM 1271 CD1 LEU A 89 -1.149 -7.317 3.733 1.00 0.00 C ATOM 1272 CD2 LEU A 89 0.186 -8.312 1.867 1.00 0.00 C ATOM 0 H LEU A 89 3.756 -6.698 4.643 1.00 0.00 H new ATOM 0 HA LEU A 89 1.016 -6.232 5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.072 -6.000 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.211 -7.316 3.099 1.00 0.00 H new ATOM 0 HG LEU A 89 0.313 -8.856 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.960 -8.007 3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.151 -7.105 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.290 -6.389 3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.643 -8.989 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.078 -7.409 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.127 -8.803 1.618 1.00 0.00 H new ATOM 1284 N THR A 90 0.691 -8.454 6.670 1.00 0.00 N ATOM 1285 CA THR A 90 0.529 -9.725 7.365 1.00 0.00 C ATOM 1286 C THR A 90 -0.591 -10.552 6.745 1.00 0.00 C ATOM 1287 O THR A 90 -1.746 -10.126 6.712 1.00 0.00 O ATOM 1288 CB THR A 90 0.227 -9.512 8.861 1.00 0.00 C ATOM 1289 OG1 THR A 90 1.407 -9.069 9.541 1.00 0.00 O ATOM 1290 CG2 THR A 90 -0.281 -10.797 9.499 1.00 0.00 C ATOM 0 H THR A 90 -0.003 -7.748 6.915 1.00 0.00 H new ATOM 0 HA THR A 90 1.472 -10.263 7.265 1.00 0.00 H new ATOM 0 HB THR A 90 -0.549 -8.751 8.948 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.206 -8.934 10.491 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.487 -10.622 10.555 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.196 -11.115 8.998 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.476 -11.576 9.401 1.00 0.00 H new ATOM 1298 N VAL A 91 -0.243 -11.738 6.255 1.00 0.00 N ATOM 1299 CA VAL A 91 -1.220 -12.626 5.637 1.00 0.00 C ATOM 1300 C VAL A 91 -1.261 -13.976 6.344 1.00 0.00 C ATOM 1301 O VAL A 91 -0.308 -14.753 6.276 1.00 0.00 O ATOM 1302 CB VAL A 91 -0.910 -12.850 4.145 1.00 0.00 C ATOM 1303 CG1 VAL A 91 -2.007 -13.676 3.489 1.00 0.00 C ATOM 1304 CG2 VAL A 91 -0.736 -11.518 3.431 1.00 0.00 C ATOM 0 H VAL A 91 0.708 -12.106 6.274 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.192 -12.141 5.730 1.00 0.00 H new ATOM 0 HB VAL A 91 0.025 -13.404 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.770 -13.824 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.079 -14.644 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.959 -13.152 3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.518 -11.695 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.653 -10.936 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.088 -10.967 3.885 1.00 0.00 H new ATOM 1314 N ARG A 92 -2.370 -14.248 7.024 1.00 0.00 N ATOM 1315 CA ARG A 92 -2.535 -15.504 7.745 1.00 0.00 C ATOM 1316 C ARG A 92 -3.269 -16.531 6.888 1.00 0.00 C ATOM 1317 O ARG A 92 -4.311 -16.235 6.304 1.00 0.00 O ATOM 1318 CB ARG A 92 -3.300 -15.272 9.049 1.00 0.00 C ATOM 1319 CG ARG A 92 -2.530 -14.449 10.069 1.00 0.00 C ATOM 1320 CD ARG A 92 -3.130 -14.582 11.460 1.00 0.00 C ATOM 1321 NE ARG A 92 -2.496 -13.680 12.418 1.00 0.00 N ATOM 1322 CZ ARG A 92 -2.757 -13.691 13.721 1.00 0.00 C ATOM 1323 NH1 ARG A 92 -3.633 -14.553 14.218 1.00 0.00 N ATOM 1324 NH2 ARG A 92 -2.139 -12.839 14.529 1.00 0.00 N ATOM 0 H ARG A 92 -3.167 -13.615 7.091 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.544 -15.893 7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.240 -14.769 8.824 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.552 -16.237 9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.489 -14.772 10.088 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.533 -13.401 9.769 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.198 -14.371 11.416 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.022 -15.611 11.804 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.816 -13.005 12.068 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.109 -15.210 13.600 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.831 -14.559 15.219 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.463 -12.175 14.150 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.340 -12.848 15.529 1.00 0.00 H new ATOM 1338 N ALA A 93 -2.718 -17.739 6.818 1.00 0.00 N ATOM 1339 CA ALA A 93 -3.321 -18.809 6.035 1.00 0.00 C ATOM 1340 C ALA A 93 -4.661 -19.234 6.625 1.00 0.00 C ATOM 1341 O ALA A 93 -4.805 -19.356 7.842 1.00 0.00 O ATOM 1342 CB ALA A 93 -2.377 -20.000 5.953 1.00 0.00 C ATOM 0 H ALA A 93 -1.855 -18.000 7.295 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.501 -18.431 5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.841 -20.792 5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.445 -19.694 5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.168 -20.369 6.957 1.00 0.00 H new ATOM 1348 N LEU A 94 -5.641 -19.457 5.756 1.00 0.00 N ATOM 1349 CA LEU A 94 -6.971 -19.868 6.191 1.00 0.00 C ATOM 1350 C LEU A 94 -6.928 -21.243 6.849 1.00 0.00 C ATOM 1351 O LEU A 94 -6.173 -22.128 6.446 1.00 0.00 O ATOM 1352 CB LEU A 94 -7.935 -19.888 5.003 1.00 0.00 C ATOM 1353 CG LEU A 94 -8.280 -18.528 4.396 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -8.891 -18.700 3.014 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -9.227 -17.761 5.308 1.00 0.00 C ATOM 0 H LEU A 94 -5.539 -19.360 4.746 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.325 -19.145 6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.504 -20.513 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.861 -20.367 5.320 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.360 -17.953 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.130 -17.721 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.180 -19.208 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.802 -19.294 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.462 -16.796 4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.146 -18.332 5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.753 -17.606 6.277 1.00 0.00 H new