USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 611 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 39 TYR OH : rot -79:sc= -6.44! USER MOD Set 1.2: A 83 HIS : no HD1:sc= -16.3! C(o=-23!,f=-27!) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 168:sc= -0.0813 (180deg=-0.303) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0601 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 3.8e-05 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 33 GLN : amide:sc= -0.325 K(o=-0.32,f=-2.9!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -25:sc= -9.98! USER MOD Single : A 52 MET CE :methyl 151:sc= -0.27 (180deg=-1.22) USER MOD Single : A 57 THR OG1 : rot 170:sc= 0.291 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 150:sc= -2.43! USER MOD Single : A 67 THR OG1 : rot 138:sc= 1.1 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.127 F(o=-1.8,f=-0.13) USER MOD Single : A 81 SER OG : rot 33:sc= 0.387 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -61:sc= 0.212 USER MOD Single : A 93 LYS NZ :NH3+ -109:sc= 0.205 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 20 1.089 11.614 1.381 1.00 0.00 N ATOM 2 CA CYS A 20 -0.190 11.603 0.611 1.00 0.00 C ATOM 3 C CYS A 20 0.000 10.876 -0.724 1.00 0.00 C ATOM 4 O CYS A 20 0.564 11.410 -1.658 1.00 0.00 O ATOM 5 CB CYS A 20 -0.524 13.076 0.378 1.00 0.00 C ATOM 6 SG CYS A 20 -2.070 13.484 1.226 1.00 0.00 S ATOM 0 HA CYS A 20 -0.987 11.083 1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.284 13.706 0.749 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.619 13.274 -0.690 1.00 0.00 H new ATOM 0 HG CYS A 20 -2.354 14.737 1.031 1.00 0.00 H new ATOM 14 N LYS A 21 -0.466 9.660 -0.820 1.00 0.00 N ATOM 15 CA LYS A 21 -0.311 8.897 -2.091 1.00 0.00 C ATOM 16 C LYS A 21 -1.285 7.715 -2.115 1.00 0.00 C ATOM 17 O LYS A 21 -1.681 7.210 -1.084 1.00 0.00 O ATOM 18 CB LYS A 21 1.134 8.399 -2.077 1.00 0.00 C ATOM 19 CG LYS A 21 1.339 7.452 -0.893 1.00 0.00 C ATOM 20 CD LYS A 21 2.501 7.953 -0.033 1.00 0.00 C ATOM 21 CE LYS A 21 3.546 6.843 0.112 1.00 0.00 C ATOM 22 NZ LYS A 21 3.015 5.950 1.180 1.00 0.00 N ATOM 0 H LYS A 21 -0.948 9.162 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.524 9.505 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.361 7.884 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.820 9.243 -2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.429 7.397 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.547 6.444 -1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.952 8.834 -0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.137 8.254 0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.679 6.302 -0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.519 7.251 0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.678 5.164 1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.905 6.491 2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.091 5.571 0.888 1.00 0.00 H new ATOM 36 N MET A 22 -1.671 7.262 -3.279 1.00 0.00 N ATOM 37 CA MET A 22 -2.612 6.108 -3.340 1.00 0.00 C ATOM 38 C MET A 22 -1.884 4.833 -2.927 1.00 0.00 C ATOM 39 O MET A 22 -0.736 4.867 -2.538 1.00 0.00 O ATOM 40 CB MET A 22 -3.066 6.023 -4.794 1.00 0.00 C ATOM 41 CG MET A 22 -4.118 7.097 -5.052 1.00 0.00 C ATOM 42 SD MET A 22 -3.306 8.662 -5.463 1.00 0.00 S ATOM 43 CE MET A 22 -4.438 9.747 -4.559 1.00 0.00 C ATOM 0 H MET A 22 -1.378 7.638 -4.181 1.00 0.00 H new ATOM 0 HA MET A 22 -3.462 6.231 -2.668 1.00 0.00 H new ATOM 0 HB2 MET A 22 -2.216 6.161 -5.462 1.00 0.00 H new ATOM 0 HB3 MET A 22 -3.478 5.036 -5.002 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.772 6.790 -5.868 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.747 7.223 -4.170 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.010 10.748 -4.496 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.393 9.793 -5.082 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.593 9.355 -3.554 1.00 0.00 H new ATOM 53 N PHE A 23 -2.536 3.708 -3.000 1.00 0.00 N ATOM 54 CA PHE A 23 -1.855 2.445 -2.593 1.00 0.00 C ATOM 55 C PHE A 23 -2.374 1.244 -3.393 1.00 0.00 C ATOM 56 O PHE A 23 -3.535 0.898 -3.339 1.00 0.00 O ATOM 57 CB PHE A 23 -2.186 2.283 -1.108 1.00 0.00 C ATOM 58 CG PHE A 23 -1.690 0.943 -0.615 1.00 0.00 C ATOM 59 CD1 PHE A 23 -0.653 0.290 -1.292 1.00 0.00 C ATOM 60 CD2 PHE A 23 -2.265 0.356 0.519 1.00 0.00 C ATOM 61 CE1 PHE A 23 -0.192 -0.949 -0.835 1.00 0.00 C ATOM 62 CE2 PHE A 23 -1.803 -0.885 0.975 1.00 0.00 C ATOM 63 CZ PHE A 23 -0.766 -1.537 0.298 1.00 0.00 C ATOM 0 H PHE A 23 -3.499 3.606 -3.319 1.00 0.00 H new ATOM 0 HA PHE A 23 -0.782 2.490 -2.780 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.724 3.086 -0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.262 2.361 -0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.209 0.743 -2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.064 0.860 1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.608 -1.453 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.247 -1.339 1.849 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.409 -2.494 0.650 1.00 0.00 H new ATOM 73 N ILE A 24 -1.514 0.596 -4.122 1.00 0.00 N ATOM 74 CA ILE A 24 -1.946 -0.591 -4.911 1.00 0.00 C ATOM 75 C ILE A 24 -1.755 -1.855 -4.066 1.00 0.00 C ATOM 76 O ILE A 24 -0.791 -1.979 -3.334 1.00 0.00 O ATOM 77 CB ILE A 24 -1.035 -0.595 -6.137 1.00 0.00 C ATOM 78 CG1 ILE A 24 -0.937 0.826 -6.699 1.00 0.00 C ATOM 79 CG2 ILE A 24 -1.614 -1.525 -7.204 1.00 0.00 C ATOM 80 CD1 ILE A 24 -2.343 1.359 -6.997 1.00 0.00 C ATOM 0 H ILE A 24 -0.526 0.837 -4.207 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.996 -0.559 -5.200 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.043 -0.946 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.434 1.477 -5.984 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.336 0.828 -7.608 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.962 -1.526 -8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.687 -2.536 -6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.606 -1.176 -7.491 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.271 2.370 -7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.830 0.713 -7.728 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.929 1.373 -6.078 1.00 0.00 H new ATOM 92 N GLY A 25 -2.672 -2.784 -4.134 1.00 0.00 N ATOM 93 CA GLY A 25 -2.540 -4.015 -3.300 1.00 0.00 C ATOM 94 C GLY A 25 -2.458 -5.269 -4.170 1.00 0.00 C ATOM 95 O GLY A 25 -3.023 -5.333 -5.240 1.00 0.00 O ATOM 0 H GLY A 25 -3.501 -2.745 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.647 -3.942 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.393 -4.093 -2.625 1.00 0.00 H new ATOM 99 N GLY A 26 -1.760 -6.275 -3.701 1.00 0.00 N ATOM 100 CA GLY A 26 -1.638 -7.539 -4.482 1.00 0.00 C ATOM 101 C GLY A 26 -1.081 -7.219 -5.860 1.00 0.00 C ATOM 102 O GLY A 26 -1.555 -7.711 -6.866 1.00 0.00 O ATOM 0 H GLY A 26 -1.269 -6.272 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.982 -8.239 -3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.611 -8.021 -4.572 1.00 0.00 H new ATOM 106 N LEU A 27 -0.087 -6.381 -5.917 1.00 0.00 N ATOM 107 CA LEU A 27 0.489 -6.009 -7.231 1.00 0.00 C ATOM 108 C LEU A 27 1.528 -7.045 -7.677 1.00 0.00 C ATOM 109 O LEU A 27 2.155 -7.701 -6.869 1.00 0.00 O ATOM 110 CB LEU A 27 1.099 -4.610 -7.021 1.00 0.00 C ATOM 111 CG LEU A 27 2.631 -4.656 -7.040 1.00 0.00 C ATOM 112 CD1 LEU A 27 3.178 -3.228 -6.964 1.00 0.00 C ATOM 113 CD2 LEU A 27 3.129 -5.459 -5.838 1.00 0.00 C ATOM 0 H LEU A 27 0.350 -5.938 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.256 -5.989 -8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.745 -3.937 -7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.758 -4.202 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 27 2.974 -5.130 -7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.268 -3.255 -6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.819 -2.655 -7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.838 -2.757 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.218 -5.493 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.790 -4.984 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.734 -6.473 -5.889 1.00 0.00 H new ATOM 125 N SER A 28 1.707 -7.194 -8.961 1.00 0.00 N ATOM 126 CA SER A 28 2.697 -8.188 -9.468 1.00 0.00 C ATOM 127 C SER A 28 3.972 -8.145 -8.625 1.00 0.00 C ATOM 128 O SER A 28 4.588 -7.112 -8.463 1.00 0.00 O ATOM 129 CB SER A 28 2.993 -7.762 -10.905 1.00 0.00 C ATOM 130 OG SER A 28 1.918 -8.161 -11.743 1.00 0.00 O ATOM 0 H SER A 28 1.210 -6.670 -9.682 1.00 0.00 H new ATOM 0 HA SER A 28 2.316 -9.208 -9.416 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.127 -6.682 -10.956 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.923 -8.215 -11.247 1.00 0.00 H new ATOM 0 HG SER A 28 2.104 -7.888 -12.666 1.00 0.00 H new ATOM 136 N TRP A 29 4.369 -9.262 -8.086 1.00 0.00 N ATOM 137 CA TRP A 29 5.603 -9.291 -7.251 1.00 0.00 C ATOM 138 C TRP A 29 6.840 -9.044 -8.117 1.00 0.00 C ATOM 139 O TRP A 29 7.812 -8.462 -7.678 1.00 0.00 O ATOM 140 CB TRP A 29 5.640 -10.700 -6.660 1.00 0.00 C ATOM 141 CG TRP A 29 5.751 -11.696 -7.770 1.00 0.00 C ATOM 142 CD1 TRP A 29 4.711 -12.355 -8.330 1.00 0.00 C ATOM 143 CD2 TRP A 29 6.947 -12.155 -8.465 1.00 0.00 C ATOM 144 NE1 TRP A 29 5.193 -13.191 -9.322 1.00 0.00 N ATOM 145 CE2 TRP A 29 6.565 -13.103 -9.443 1.00 0.00 C ATOM 146 CE3 TRP A 29 8.313 -11.844 -8.342 1.00 0.00 C ATOM 147 CZ2 TRP A 29 7.504 -13.721 -10.270 1.00 0.00 C ATOM 148 CZ3 TRP A 29 9.262 -12.463 -9.172 1.00 0.00 C ATOM 149 CH2 TRP A 29 8.858 -13.399 -10.134 1.00 0.00 C ATOM 0 H TRP A 29 3.892 -10.158 -8.187 1.00 0.00 H new ATOM 0 HA TRP A 29 5.598 -8.520 -6.481 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.486 -10.800 -5.980 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.738 -10.886 -6.077 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.674 -12.247 -8.049 1.00 0.00 H new ATOM 0 HE1 TRP A 29 4.606 -13.798 -9.894 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.635 -11.124 -7.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 7.188 -14.442 -11.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 10.308 -12.217 -9.068 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.592 -13.871 -10.770 1.00 0.00 H new ATOM 160 N GLN A 30 6.817 -9.499 -9.338 1.00 0.00 N ATOM 161 CA GLN A 30 7.990 -9.312 -10.230 1.00 0.00 C ATOM 162 C GLN A 30 8.091 -7.867 -10.714 1.00 0.00 C ATOM 163 O GLN A 30 9.087 -7.457 -11.277 1.00 0.00 O ATOM 164 CB GLN A 30 7.746 -10.256 -11.407 1.00 0.00 C ATOM 165 CG GLN A 30 6.702 -9.642 -12.345 1.00 0.00 C ATOM 166 CD GLN A 30 6.362 -10.635 -13.457 1.00 0.00 C ATOM 167 OE1 GLN A 30 5.672 -11.609 -13.228 1.00 0.00 O ATOM 168 NE2 GLN A 30 6.821 -10.429 -14.662 1.00 0.00 N ATOM 0 H GLN A 30 6.030 -9.995 -9.757 1.00 0.00 H new ATOM 0 HA GLN A 30 8.926 -9.527 -9.714 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.677 -10.431 -11.946 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.401 -11.224 -11.045 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.802 -9.385 -11.786 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.085 -8.716 -12.775 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.400 -9.612 -14.854 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.600 -11.085 -15.411 1.00 0.00 H new ATOM 177 N THR A 31 7.065 -7.100 -10.515 1.00 0.00 N ATOM 178 CA THR A 31 7.094 -5.690 -10.978 1.00 0.00 C ATOM 179 C THR A 31 8.160 -4.900 -10.214 1.00 0.00 C ATOM 180 O THR A 31 8.853 -5.428 -9.367 1.00 0.00 O ATOM 181 CB THR A 31 5.695 -5.145 -10.690 1.00 0.00 C ATOM 182 OG1 THR A 31 5.493 -3.948 -11.429 1.00 0.00 O ATOM 183 CG2 THR A 31 5.555 -4.852 -9.198 1.00 0.00 C ATOM 0 H THR A 31 6.204 -7.388 -10.050 1.00 0.00 H new ATOM 0 HA THR A 31 7.346 -5.608 -12.035 1.00 0.00 H new ATOM 0 HB THR A 31 4.951 -5.885 -10.984 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.596 -3.598 -11.247 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.557 -4.464 -8.996 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.709 -5.770 -8.631 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.299 -4.113 -8.901 1.00 0.00 H new ATOM 191 N THR A 32 8.293 -3.638 -10.508 1.00 0.00 N ATOM 192 CA THR A 32 9.309 -2.805 -9.800 1.00 0.00 C ATOM 193 C THR A 32 8.815 -1.361 -9.678 1.00 0.00 C ATOM 194 O THR A 32 7.682 -1.056 -9.993 1.00 0.00 O ATOM 195 CB THR A 32 10.567 -2.879 -10.672 1.00 0.00 C ATOM 196 OG1 THR A 32 11.690 -2.457 -9.911 1.00 0.00 O ATOM 197 CG2 THR A 32 10.408 -1.972 -11.893 1.00 0.00 C ATOM 0 H THR A 32 7.741 -3.144 -11.210 1.00 0.00 H new ATOM 0 HA THR A 32 9.501 -3.159 -8.787 1.00 0.00 H new ATOM 0 HB THR A 32 10.714 -3.906 -11.007 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.497 -2.505 -10.465 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.306 -2.030 -12.508 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.546 -2.296 -12.477 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.258 -0.943 -11.565 1.00 0.00 H new ATOM 205 N GLN A 33 9.651 -0.471 -9.213 1.00 0.00 N ATOM 206 CA GLN A 33 9.217 0.944 -9.064 1.00 0.00 C ATOM 207 C GLN A 33 8.946 1.570 -10.427 1.00 0.00 C ATOM 208 O GLN A 33 7.811 1.788 -10.791 1.00 0.00 O ATOM 209 CB GLN A 33 10.367 1.664 -8.353 1.00 0.00 C ATOM 210 CG GLN A 33 10.922 0.780 -7.236 1.00 0.00 C ATOM 211 CD GLN A 33 11.396 1.660 -6.077 1.00 0.00 C ATOM 212 OE1 GLN A 33 10.936 2.774 -5.918 1.00 0.00 O ATOM 213 NE2 GLN A 33 12.304 1.207 -5.258 1.00 0.00 N ATOM 0 H GLN A 33 10.612 -0.664 -8.931 1.00 0.00 H new ATOM 0 HA GLN A 33 8.290 1.020 -8.496 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.156 1.901 -9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.016 2.610 -7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.155 0.087 -6.891 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.749 0.178 -7.611 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.690 0.272 -5.391 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.628 1.787 -4.484 1.00 0.00 H new ATOM 222 N GLU A 34 9.959 1.871 -11.186 1.00 0.00 N ATOM 223 CA GLU A 34 9.701 2.480 -12.508 1.00 0.00 C ATOM 224 C GLU A 34 8.621 1.696 -13.231 1.00 0.00 C ATOM 225 O GLU A 34 7.684 2.257 -13.750 1.00 0.00 O ATOM 226 CB GLU A 34 11.017 2.412 -13.264 1.00 0.00 C ATOM 227 CG GLU A 34 11.152 3.695 -14.062 1.00 0.00 C ATOM 228 CD GLU A 34 12.628 4.075 -14.193 1.00 0.00 C ATOM 229 OE1 GLU A 34 13.376 3.283 -14.744 1.00 0.00 O ATOM 230 OE2 GLU A 34 12.985 5.148 -13.739 1.00 0.00 O ATOM 0 H GLU A 34 10.940 1.723 -10.949 1.00 0.00 H new ATOM 0 HA GLU A 34 9.353 3.509 -12.424 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.852 2.302 -12.572 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.035 1.546 -13.925 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.712 3.566 -15.051 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.603 4.498 -13.571 1.00 0.00 H new ATOM 237 N GLY A 35 8.728 0.403 -13.255 1.00 0.00 N ATOM 238 CA GLY A 35 7.677 -0.393 -13.934 1.00 0.00 C ATOM 239 C GLY A 35 6.331 0.020 -13.348 1.00 0.00 C ATOM 240 O GLY A 35 5.311 -0.033 -14.003 1.00 0.00 O ATOM 0 H GLY A 35 9.489 -0.134 -12.839 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.697 -0.215 -15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.848 -1.459 -13.785 1.00 0.00 H new ATOM 244 N LEU A 36 6.320 0.470 -12.122 1.00 0.00 N ATOM 245 CA LEU A 36 5.055 0.922 -11.528 1.00 0.00 C ATOM 246 C LEU A 36 4.836 2.369 -11.981 1.00 0.00 C ATOM 247 O LEU A 36 3.729 2.782 -12.269 1.00 0.00 O ATOM 248 CB LEU A 36 5.289 0.777 -10.019 1.00 0.00 C ATOM 249 CG LEU A 36 4.791 2.003 -9.271 1.00 0.00 C ATOM 250 CD1 LEU A 36 3.326 2.247 -9.628 1.00 0.00 C ATOM 251 CD2 LEU A 36 4.928 1.744 -7.774 1.00 0.00 C ATOM 0 H LEU A 36 7.138 0.539 -11.516 1.00 0.00 H new ATOM 0 HA LEU A 36 4.163 0.367 -11.818 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.775 -0.111 -9.651 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.352 0.634 -9.824 1.00 0.00 H new ATOM 0 HG LEU A 36 5.374 2.882 -9.546 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.963 3.125 -9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.236 2.412 -10.702 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.733 1.378 -9.343 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.575 2.614 -7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.333 0.873 -7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.974 1.559 -7.531 1.00 0.00 H new ATOM 263 N ARG A 37 5.897 3.128 -12.102 1.00 0.00 N ATOM 264 CA ARG A 37 5.758 4.518 -12.594 1.00 0.00 C ATOM 265 C ARG A 37 5.208 4.457 -14.009 1.00 0.00 C ATOM 266 O ARG A 37 4.516 5.338 -14.479 1.00 0.00 O ATOM 267 CB ARG A 37 7.174 5.099 -12.580 1.00 0.00 C ATOM 268 CG ARG A 37 7.802 4.868 -11.207 1.00 0.00 C ATOM 269 CD ARG A 37 9.030 5.766 -11.048 1.00 0.00 C ATOM 270 NE ARG A 37 8.504 7.041 -10.487 1.00 0.00 N ATOM 271 CZ ARG A 37 9.331 7.986 -10.132 1.00 0.00 C ATOM 272 NH1 ARG A 37 10.177 7.782 -9.159 1.00 0.00 N ATOM 273 NH2 ARG A 37 9.312 9.135 -10.748 1.00 0.00 N ATOM 0 H ARG A 37 6.849 2.838 -11.880 1.00 0.00 H new ATOM 0 HA ARG A 37 5.087 5.130 -11.991 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.780 4.628 -13.354 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.144 6.165 -12.804 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.077 5.084 -10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.087 3.822 -11.098 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.765 5.315 -10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.526 5.930 -12.005 1.00 0.00 H new ATOM 0 HE ARG A 37 7.499 7.176 -10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.192 6.884 -8.676 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.823 8.521 -8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.651 9.296 -11.508 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.959 9.873 -10.470 1.00 0.00 H new ATOM 287 N GLU A 38 5.509 3.385 -14.672 1.00 0.00 N ATOM 288 CA GLU A 38 5.025 3.170 -16.048 1.00 0.00 C ATOM 289 C GLU A 38 3.686 2.423 -15.983 1.00 0.00 C ATOM 290 O GLU A 38 2.939 2.361 -16.940 1.00 0.00 O ATOM 291 CB GLU A 38 6.138 2.339 -16.725 1.00 0.00 C ATOM 292 CG GLU A 38 5.779 0.852 -16.759 1.00 0.00 C ATOM 293 CD GLU A 38 5.071 0.525 -18.076 1.00 0.00 C ATOM 294 OE1 GLU A 38 5.725 0.571 -19.105 1.00 0.00 O ATOM 295 OE2 GLU A 38 3.887 0.234 -18.033 1.00 0.00 O ATOM 0 H GLU A 38 6.087 2.629 -14.304 1.00 0.00 H new ATOM 0 HA GLU A 38 4.841 4.087 -16.609 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.297 2.700 -17.741 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.076 2.477 -16.187 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.680 0.247 -16.659 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.134 0.604 -15.916 1.00 0.00 H new ATOM 302 N TYR A 39 3.391 1.858 -14.839 1.00 0.00 N ATOM 303 CA TYR A 39 2.124 1.110 -14.658 1.00 0.00 C ATOM 304 C TYR A 39 0.962 2.094 -14.522 1.00 0.00 C ATOM 305 O TYR A 39 -0.161 1.805 -14.883 1.00 0.00 O ATOM 306 CB TYR A 39 2.332 0.333 -13.358 1.00 0.00 C ATOM 307 CG TYR A 39 1.230 -0.681 -13.174 1.00 0.00 C ATOM 308 CD1 TYR A 39 1.353 -1.955 -13.739 1.00 0.00 C ATOM 309 CD2 TYR A 39 0.095 -0.353 -12.422 1.00 0.00 C ATOM 310 CE1 TYR A 39 0.340 -2.901 -13.556 1.00 0.00 C ATOM 311 CE2 TYR A 39 -0.917 -1.301 -12.233 1.00 0.00 C ATOM 312 CZ TYR A 39 -0.793 -2.576 -12.802 1.00 0.00 C ATOM 313 OH TYR A 39 -1.782 -3.516 -12.618 1.00 0.00 O ATOM 0 H TYR A 39 3.989 1.888 -14.013 1.00 0.00 H new ATOM 0 HA TYR A 39 1.888 0.454 -15.496 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.299 -0.170 -13.377 1.00 0.00 H new ATOM 0 HB3 TYR A 39 2.347 1.021 -12.513 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.230 -2.208 -14.316 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.001 0.631 -11.988 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.432 -3.883 -13.997 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.791 -1.051 -11.650 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.346 -3.559 -13.418 1.00 0.00 H new ATOM 323 N PHE A 40 1.236 3.260 -14.008 1.00 0.00 N ATOM 324 CA PHE A 40 0.165 4.280 -13.848 1.00 0.00 C ATOM 325 C PHE A 40 0.482 5.492 -14.720 1.00 0.00 C ATOM 326 O PHE A 40 -0.398 6.217 -15.141 1.00 0.00 O ATOM 327 CB PHE A 40 0.195 4.662 -12.369 1.00 0.00 C ATOM 328 CG PHE A 40 -0.535 3.614 -11.567 1.00 0.00 C ATOM 329 CD1 PHE A 40 -1.929 3.541 -11.629 1.00 0.00 C ATOM 330 CD2 PHE A 40 0.178 2.720 -10.760 1.00 0.00 C ATOM 331 CE1 PHE A 40 -2.614 2.577 -10.885 1.00 0.00 C ATOM 332 CE2 PHE A 40 -0.507 1.752 -10.015 1.00 0.00 C ATOM 333 CZ PHE A 40 -1.904 1.681 -10.078 1.00 0.00 C ATOM 0 H PHE A 40 2.161 3.551 -13.691 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.815 3.909 -14.147 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.226 4.747 -12.025 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.271 5.637 -12.224 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.478 4.231 -12.253 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.255 2.777 -10.712 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.692 2.523 -10.933 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.042 1.061 -9.392 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.433 0.935 -9.504 1.00 0.00 H new ATOM 343 N GLY A 41 1.737 5.712 -15.004 1.00 0.00 N ATOM 344 CA GLY A 41 2.106 6.872 -15.861 1.00 0.00 C ATOM 345 C GLY A 41 1.598 6.622 -17.281 1.00 0.00 C ATOM 346 O GLY A 41 1.634 7.493 -18.128 1.00 0.00 O ATOM 0 H GLY A 41 2.518 5.141 -14.681 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.672 7.789 -15.462 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.188 7.007 -15.866 1.00 0.00 H new ATOM 350 N GLN A 42 1.130 5.432 -17.547 1.00 0.00 N ATOM 351 CA GLN A 42 0.627 5.111 -18.905 1.00 0.00 C ATOM 352 C GLN A 42 -0.702 5.825 -19.170 1.00 0.00 C ATOM 353 O GLN A 42 -0.874 6.481 -20.178 1.00 0.00 O ATOM 354 CB GLN A 42 0.431 3.595 -18.904 1.00 0.00 C ATOM 355 CG GLN A 42 -0.141 3.154 -20.253 1.00 0.00 C ATOM 356 CD GLN A 42 0.037 1.644 -20.415 1.00 0.00 C ATOM 357 OE1 GLN A 42 1.086 1.183 -20.819 1.00 0.00 O ATOM 358 NE2 GLN A 42 -0.953 0.847 -20.116 1.00 0.00 N ATOM 0 H GLN A 42 1.076 4.667 -16.875 1.00 0.00 H new ATOM 0 HA GLN A 42 1.316 5.435 -19.685 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.382 3.095 -18.719 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.244 3.305 -18.099 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.198 3.415 -20.314 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.365 3.679 -21.063 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.834 1.233 -19.777 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.845 -0.162 -20.222 1.00 0.00 H new ATOM 367 N PHE A 43 -1.648 5.699 -18.277 1.00 0.00 N ATOM 368 CA PHE A 43 -2.964 6.370 -18.494 1.00 0.00 C ATOM 369 C PHE A 43 -3.145 7.536 -17.520 1.00 0.00 C ATOM 370 O PHE A 43 -4.097 8.286 -17.610 1.00 0.00 O ATOM 371 CB PHE A 43 -4.015 5.290 -18.236 1.00 0.00 C ATOM 372 CG PHE A 43 -3.734 4.598 -16.923 1.00 0.00 C ATOM 373 CD1 PHE A 43 -3.807 5.313 -15.721 1.00 0.00 C ATOM 374 CD2 PHE A 43 -3.411 3.235 -16.906 1.00 0.00 C ATOM 375 CE1 PHE A 43 -3.555 4.668 -14.507 1.00 0.00 C ATOM 376 CE2 PHE A 43 -3.161 2.590 -15.690 1.00 0.00 C ATOM 377 CZ PHE A 43 -3.233 3.308 -14.489 1.00 0.00 C ATOM 0 H PHE A 43 -1.568 5.164 -17.412 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.044 6.786 -19.498 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.009 5.736 -18.216 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.008 4.563 -19.048 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.058 6.363 -15.732 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.355 2.682 -17.832 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.609 5.221 -13.581 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.913 1.539 -15.677 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.040 2.811 -13.550 1.00 0.00 H new ATOM 387 N GLY A 44 -2.248 7.696 -16.587 1.00 0.00 N ATOM 388 CA GLY A 44 -2.388 8.817 -15.615 1.00 0.00 C ATOM 389 C GLY A 44 -1.008 9.267 -15.139 1.00 0.00 C ATOM 390 O GLY A 44 -0.267 8.510 -14.543 1.00 0.00 O ATOM 0 H GLY A 44 -1.429 7.103 -16.455 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.911 9.651 -16.082 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.990 8.499 -14.764 1.00 0.00 H new ATOM 394 N GLU A 45 -0.655 10.497 -15.394 1.00 0.00 N ATOM 395 CA GLU A 45 0.673 10.995 -14.952 1.00 0.00 C ATOM 396 C GLU A 45 0.839 10.759 -13.449 1.00 0.00 C ATOM 397 O GLU A 45 -0.043 11.049 -12.666 1.00 0.00 O ATOM 398 CB GLU A 45 0.666 12.492 -15.273 1.00 0.00 C ATOM 399 CG GLU A 45 -0.199 13.234 -14.252 1.00 0.00 C ATOM 400 CD GLU A 45 -0.155 14.736 -14.542 1.00 0.00 C ATOM 401 OE1 GLU A 45 -0.549 15.121 -15.630 1.00 0.00 O ATOM 402 OE2 GLU A 45 0.273 15.475 -13.670 1.00 0.00 O ATOM 0 H GLU A 45 -1.231 11.177 -15.890 1.00 0.00 H new ATOM 0 HA GLU A 45 1.499 10.485 -15.448 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.683 12.883 -15.254 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.280 12.656 -16.279 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.227 12.874 -14.300 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.161 13.037 -13.242 1.00 0.00 H new ATOM 409 N VAL A 46 1.958 10.229 -13.039 1.00 0.00 N ATOM 410 CA VAL A 46 2.164 9.971 -11.585 1.00 0.00 C ATOM 411 C VAL A 46 3.252 10.892 -11.027 1.00 0.00 C ATOM 412 O VAL A 46 4.142 11.320 -11.734 1.00 0.00 O ATOM 413 CB VAL A 46 2.605 8.510 -11.502 1.00 0.00 C ATOM 414 CG1 VAL A 46 2.873 8.140 -10.042 1.00 0.00 C ATOM 415 CG2 VAL A 46 1.498 7.611 -12.059 1.00 0.00 C ATOM 0 H VAL A 46 2.735 9.964 -13.644 1.00 0.00 H new ATOM 0 HA VAL A 46 1.262 10.161 -11.003 1.00 0.00 H new ATOM 0 HB VAL A 46 3.515 8.372 -12.086 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.188 7.098 -9.983 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.660 8.780 -9.643 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.963 8.278 -9.459 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.812 6.569 -12.000 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.588 7.750 -11.475 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.305 7.874 -13.099 1.00 0.00 H new ATOM 425 N LYS A 47 3.186 11.196 -9.759 1.00 0.00 N ATOM 426 CA LYS A 47 4.217 12.083 -9.149 1.00 0.00 C ATOM 427 C LYS A 47 5.296 11.235 -8.471 1.00 0.00 C ATOM 428 O LYS A 47 6.445 11.622 -8.388 1.00 0.00 O ATOM 429 CB LYS A 47 3.462 12.918 -8.113 1.00 0.00 C ATOM 430 CG LYS A 47 3.925 14.374 -8.191 1.00 0.00 C ATOM 431 CD LYS A 47 4.323 14.859 -6.795 1.00 0.00 C ATOM 432 CE LYS A 47 3.630 16.192 -6.502 1.00 0.00 C ATOM 433 NZ LYS A 47 4.675 17.037 -5.862 1.00 0.00 N ATOM 0 H LYS A 47 2.462 10.868 -9.119 1.00 0.00 H new ATOM 0 HA LYS A 47 4.716 12.710 -9.888 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.389 12.857 -8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.640 12.522 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.771 14.462 -8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.127 14.999 -8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.041 14.118 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.405 14.978 -6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.256 16.652 -7.417 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.774 16.055 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.275 17.969 -5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.007 16.577 -4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.474 17.156 -6.517 1.00 0.00 H new ATOM 447 N GLU A 48 4.933 10.076 -7.990 1.00 0.00 N ATOM 448 CA GLU A 48 5.939 9.196 -7.320 1.00 0.00 C ATOM 449 C GLU A 48 5.274 7.900 -6.853 1.00 0.00 C ATOM 450 O GLU A 48 4.076 7.837 -6.684 1.00 0.00 O ATOM 451 CB GLU A 48 6.437 10.001 -6.121 1.00 0.00 C ATOM 452 CG GLU A 48 7.309 9.110 -5.235 1.00 0.00 C ATOM 453 CD GLU A 48 8.565 8.697 -6.004 1.00 0.00 C ATOM 454 OE1 GLU A 48 9.387 9.562 -6.264 1.00 0.00 O ATOM 455 OE2 GLU A 48 8.684 7.525 -6.321 1.00 0.00 O ATOM 0 H GLU A 48 3.986 9.700 -8.031 1.00 0.00 H new ATOM 0 HA GLU A 48 6.753 8.917 -7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.009 10.864 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.591 10.384 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.586 9.643 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.750 8.226 -4.929 1.00 0.00 H new ATOM 462 N CYS A 49 6.037 6.859 -6.647 1.00 0.00 N ATOM 463 CA CYS A 49 5.426 5.571 -6.194 1.00 0.00 C ATOM 464 C CYS A 49 6.381 4.821 -5.255 1.00 0.00 C ATOM 465 O CYS A 49 7.527 5.189 -5.096 1.00 0.00 O ATOM 466 CB CYS A 49 5.196 4.751 -7.468 1.00 0.00 C ATOM 467 SG CYS A 49 4.510 5.798 -8.778 1.00 0.00 S ATOM 0 H CYS A 49 7.049 6.842 -6.771 1.00 0.00 H new ATOM 0 HA CYS A 49 4.500 5.742 -5.645 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.137 4.312 -7.800 1.00 0.00 H new ATOM 0 HB3 CYS A 49 4.515 3.926 -7.259 1.00 0.00 H new ATOM 0 HG CYS A 49 3.891 6.810 -8.246 1.00 0.00 H new ATOM 473 N LEU A 50 5.913 3.766 -4.636 1.00 0.00 N ATOM 474 CA LEU A 50 6.787 2.985 -3.714 1.00 0.00 C ATOM 475 C LEU A 50 6.536 1.482 -3.923 1.00 0.00 C ATOM 476 O LEU A 50 5.414 1.046 -4.023 1.00 0.00 O ATOM 477 CB LEU A 50 6.398 3.475 -2.304 1.00 0.00 C ATOM 478 CG LEU A 50 5.879 2.330 -1.425 1.00 0.00 C ATOM 479 CD1 LEU A 50 7.005 1.326 -1.171 1.00 0.00 C ATOM 480 CD2 LEU A 50 5.403 2.905 -0.088 1.00 0.00 C ATOM 0 H LEU A 50 4.961 3.413 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 50 7.854 3.130 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.264 3.935 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.632 4.246 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 50 5.054 1.827 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.634 0.513 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.354 0.923 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.830 1.826 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.032 2.098 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.235 3.403 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.603 3.624 -0.265 1.00 0.00 H new ATOM 492 N VAL A 51 7.566 0.685 -4.010 1.00 0.00 N ATOM 493 CA VAL A 51 7.342 -0.776 -4.235 1.00 0.00 C ATOM 494 C VAL A 51 8.041 -1.624 -3.170 1.00 0.00 C ATOM 495 O VAL A 51 9.158 -1.352 -2.775 1.00 0.00 O ATOM 496 CB VAL A 51 7.940 -1.059 -5.610 1.00 0.00 C ATOM 497 CG1 VAL A 51 7.896 -2.563 -5.885 1.00 0.00 C ATOM 498 CG2 VAL A 51 7.128 -0.324 -6.675 1.00 0.00 C ATOM 0 H VAL A 51 8.541 0.975 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 51 6.283 -1.028 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 51 8.974 -0.715 -5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.323 -2.766 -6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.471 -3.089 -5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.862 -2.907 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.553 -0.524 -7.659 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.095 -0.671 -6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 51 7.156 0.748 -6.479 1.00 0.00 H new ATOM 508 N MET A 52 7.390 -2.660 -2.709 1.00 0.00 N ATOM 509 CA MET A 52 8.007 -3.537 -1.681 1.00 0.00 C ATOM 510 C MET A 52 7.627 -4.999 -1.951 1.00 0.00 C ATOM 511 O MET A 52 6.522 -5.304 -2.366 1.00 0.00 O ATOM 512 CB MET A 52 7.431 -3.035 -0.351 1.00 0.00 C ATOM 513 CG MET A 52 7.114 -4.207 0.579 1.00 0.00 C ATOM 514 SD MET A 52 6.981 -3.612 2.283 1.00 0.00 S ATOM 515 CE MET A 52 7.423 -5.166 3.100 1.00 0.00 C ATOM 0 H MET A 52 6.453 -2.934 -3.004 1.00 0.00 H new ATOM 0 HA MET A 52 9.096 -3.500 -1.680 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.144 -2.366 0.130 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.526 -2.457 -0.536 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.182 -4.683 0.276 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.896 -4.963 0.507 1.00 0.00 H new ATOM 0 HE1 MET A 52 7.898 -4.951 4.057 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.523 -5.759 3.266 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.114 -5.725 2.469 1.00 0.00 H new ATOM 525 N ARG A 53 8.536 -5.899 -1.705 1.00 0.00 N ATOM 526 CA ARG A 53 8.252 -7.338 -1.927 1.00 0.00 C ATOM 527 C ARG A 53 9.081 -8.195 -0.965 1.00 0.00 C ATOM 528 O ARG A 53 9.293 -9.370 -1.192 1.00 0.00 O ATOM 529 CB ARG A 53 8.651 -7.612 -3.378 1.00 0.00 C ATOM 530 CG ARG A 53 10.033 -7.015 -3.653 1.00 0.00 C ATOM 531 CD ARG A 53 10.670 -7.728 -4.849 1.00 0.00 C ATOM 532 NE ARG A 53 12.100 -7.313 -4.825 1.00 0.00 N ATOM 533 CZ ARG A 53 12.996 -8.018 -5.457 1.00 0.00 C ATOM 534 NH1 ARG A 53 12.626 -8.932 -6.313 1.00 0.00 N ATOM 535 NH2 ARG A 53 14.265 -7.809 -5.233 1.00 0.00 N ATOM 0 H ARG A 53 9.472 -5.694 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 53 7.205 -7.582 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.664 -8.686 -3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.915 -7.179 -4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.946 -5.948 -3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.668 -7.120 -2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.571 -8.810 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.190 -7.438 -5.784 1.00 0.00 H new ATOM 0 HE ARG A 53 12.379 -6.476 -4.313 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.634 -9.095 -6.488 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.328 -9.483 -6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.554 -7.095 -4.564 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.967 -8.360 -5.727 1.00 0.00 H new ATOM 549 N ASP A 54 9.554 -7.615 0.105 1.00 0.00 N ATOM 550 CA ASP A 54 10.371 -8.399 1.077 1.00 0.00 C ATOM 551 C ASP A 54 9.635 -8.520 2.417 1.00 0.00 C ATOM 552 O ASP A 54 9.908 -7.777 3.339 1.00 0.00 O ATOM 553 CB ASP A 54 11.661 -7.596 1.248 1.00 0.00 C ATOM 554 CG ASP A 54 12.552 -8.281 2.285 1.00 0.00 C ATOM 555 OD1 ASP A 54 12.645 -9.498 2.246 1.00 0.00 O ATOM 556 OD2 ASP A 54 13.124 -7.580 3.102 1.00 0.00 O ATOM 0 H ASP A 54 9.411 -6.635 0.348 1.00 0.00 H new ATOM 0 HA ASP A 54 10.563 -9.414 0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.185 -7.521 0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.430 -6.579 1.566 1.00 0.00 H new ATOM 561 N PRO A 55 8.721 -9.457 2.482 1.00 0.00 N ATOM 562 CA PRO A 55 7.942 -9.677 3.723 1.00 0.00 C ATOM 563 C PRO A 55 8.865 -10.091 4.873 1.00 0.00 C ATOM 564 O PRO A 55 9.436 -11.164 4.867 1.00 0.00 O ATOM 565 CB PRO A 55 7.004 -10.825 3.332 1.00 0.00 C ATOM 566 CG PRO A 55 7.288 -11.222 1.871 1.00 0.00 C ATOM 567 CD PRO A 55 8.421 -10.338 1.330 1.00 0.00 C ATOM 0 HA PRO A 55 7.415 -8.789 4.072 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.157 -11.679 3.992 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.964 -10.518 3.444 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.569 -12.274 1.813 1.00 0.00 H new ATOM 0 HG3 PRO A 55 6.391 -11.098 1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.289 -10.927 1.034 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.108 -9.769 0.455 1.00 0.00 H new ATOM 575 N LEU A 56 9.015 -9.250 5.858 1.00 0.00 N ATOM 576 CA LEU A 56 9.895 -9.591 7.001 1.00 0.00 C ATOM 577 C LEU A 56 9.092 -10.323 8.078 1.00 0.00 C ATOM 578 O LEU A 56 9.621 -11.098 8.848 1.00 0.00 O ATOM 579 CB LEU A 56 10.405 -8.250 7.527 1.00 0.00 C ATOM 580 CG LEU A 56 9.238 -7.435 8.086 1.00 0.00 C ATOM 581 CD1 LEU A 56 9.261 -7.492 9.614 1.00 0.00 C ATOM 582 CD2 LEU A 56 9.372 -5.979 7.633 1.00 0.00 C ATOM 0 H LEU A 56 8.562 -8.338 5.917 1.00 0.00 H new ATOM 0 HA LEU A 56 10.715 -10.248 6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.151 -8.414 8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.896 -7.697 6.726 1.00 0.00 H new ATOM 0 HG LEU A 56 8.298 -7.848 7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.429 -6.911 10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.170 -8.528 9.941 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.201 -7.078 9.979 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.541 -5.396 8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.312 -5.568 8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.359 -5.934 6.544 1.00 0.00 H new ATOM 594 N THR A 57 7.812 -10.081 8.125 1.00 0.00 N ATOM 595 CA THR A 57 6.955 -10.758 9.140 1.00 0.00 C ATOM 596 C THR A 57 5.694 -11.314 8.461 1.00 0.00 C ATOM 597 O THR A 57 5.773 -11.977 7.448 1.00 0.00 O ATOM 598 CB THR A 57 6.601 -9.663 10.148 1.00 0.00 C ATOM 599 OG1 THR A 57 5.710 -10.188 11.120 1.00 0.00 O ATOM 600 CG2 THR A 57 5.936 -8.492 9.421 1.00 0.00 C ATOM 0 H THR A 57 7.320 -9.441 7.502 1.00 0.00 H new ATOM 0 HA THR A 57 7.452 -11.599 9.623 1.00 0.00 H new ATOM 0 HB THR A 57 7.509 -9.313 10.639 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.608 -9.545 11.852 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.684 -7.713 10.140 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.622 -8.090 8.675 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.027 -8.838 8.929 1.00 0.00 H new ATOM 608 N LYS A 58 4.535 -11.050 9.003 1.00 0.00 N ATOM 609 CA LYS A 58 3.292 -11.563 8.380 1.00 0.00 C ATOM 610 C LYS A 58 2.462 -10.405 7.817 1.00 0.00 C ATOM 611 O LYS A 58 1.249 -10.454 7.790 1.00 0.00 O ATOM 612 CB LYS A 58 2.539 -12.268 9.508 1.00 0.00 C ATOM 613 CG LYS A 58 2.079 -11.234 10.538 1.00 0.00 C ATOM 614 CD LYS A 58 2.377 -11.747 11.949 1.00 0.00 C ATOM 615 CE LYS A 58 2.854 -10.586 12.823 1.00 0.00 C ATOM 616 NZ LYS A 58 3.575 -11.229 13.956 1.00 0.00 N ATOM 0 H LYS A 58 4.401 -10.500 9.851 1.00 0.00 H new ATOM 0 HA LYS A 58 3.498 -12.237 7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.679 -12.804 9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.183 -13.008 9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.590 -10.286 10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.011 -11.045 10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.483 -12.197 12.380 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.139 -12.525 11.911 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.510 -9.916 12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.015 -9.988 13.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.933 -10.496 14.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.924 -11.855 14.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.373 -11.786 13.589 1.00 0.00 H new ATOM 630 N ARG A 59 3.108 -9.361 7.374 1.00 0.00 N ATOM 631 CA ARG A 59 2.361 -8.197 6.818 1.00 0.00 C ATOM 632 C ARG A 59 2.321 -8.266 5.288 1.00 0.00 C ATOM 633 O ARG A 59 2.525 -9.310 4.700 1.00 0.00 O ATOM 634 CB ARG A 59 3.147 -6.972 7.289 1.00 0.00 C ATOM 635 CG ARG A 59 4.605 -7.082 6.833 1.00 0.00 C ATOM 636 CD ARG A 59 4.855 -6.097 5.698 1.00 0.00 C ATOM 637 NE ARG A 59 4.440 -4.772 6.236 1.00 0.00 N ATOM 638 CZ ARG A 59 4.669 -3.686 5.549 1.00 0.00 C ATOM 639 NH1 ARG A 59 5.890 -3.368 5.219 1.00 0.00 N ATOM 640 NH2 ARG A 59 3.676 -2.914 5.198 1.00 0.00 N ATOM 0 H ARG A 59 4.123 -9.264 7.373 1.00 0.00 H new ATOM 0 HA ARG A 59 1.324 -8.171 7.151 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.698 -6.064 6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.101 -6.895 8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.275 -6.871 7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.818 -8.098 6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.905 -6.092 5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.277 -6.361 4.812 1.00 0.00 H new ATOM 0 HE ARG A 59 3.976 -4.713 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.666 -3.968 5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.069 -2.519 4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.722 -3.160 5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.855 -2.065 4.661 1.00 0.00 H new ATOM 654 N SER A 60 2.053 -7.163 4.638 1.00 0.00 N ATOM 655 CA SER A 60 1.993 -7.164 3.146 1.00 0.00 C ATOM 656 C SER A 60 3.117 -8.028 2.567 1.00 0.00 C ATOM 657 O SER A 60 4.100 -8.308 3.225 1.00 0.00 O ATOM 658 CB SER A 60 2.176 -5.702 2.739 1.00 0.00 C ATOM 659 OG SER A 60 3.195 -5.115 3.535 1.00 0.00 O ATOM 0 H SER A 60 1.873 -6.260 5.077 1.00 0.00 H new ATOM 0 HA SER A 60 1.055 -7.576 2.774 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.441 -5.637 1.684 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.240 -5.158 2.867 1.00 0.00 H new ATOM 0 HG SER A 60 3.644 -4.410 3.024 1.00 0.00 H new ATOM 665 N ARG A 61 2.980 -8.458 1.340 1.00 0.00 N ATOM 666 CA ARG A 61 4.041 -9.306 0.725 1.00 0.00 C ATOM 667 C ARG A 61 4.080 -9.101 -0.793 1.00 0.00 C ATOM 668 O ARG A 61 4.275 -10.033 -1.547 1.00 0.00 O ATOM 669 CB ARG A 61 3.645 -10.743 1.061 1.00 0.00 C ATOM 670 CG ARG A 61 2.354 -11.103 0.323 1.00 0.00 C ATOM 671 CD ARG A 61 2.110 -12.610 0.423 1.00 0.00 C ATOM 672 NE ARG A 61 1.268 -12.783 1.639 1.00 0.00 N ATOM 673 CZ ARG A 61 1.813 -12.728 2.823 1.00 0.00 C ATOM 674 NH1 ARG A 61 2.863 -13.455 3.091 1.00 0.00 N ATOM 675 NH2 ARG A 61 1.310 -11.946 3.739 1.00 0.00 N ATOM 0 H ARG A 61 2.180 -8.259 0.739 1.00 0.00 H new ATOM 0 HA ARG A 61 5.033 -9.056 1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.443 -11.428 0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.504 -10.850 2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.513 -10.559 0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.425 -10.804 -0.723 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.603 -12.988 -0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.049 -13.157 0.512 1.00 0.00 H new ATOM 0 HE ARG A 61 0.265 -12.944 1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.257 -14.065 2.375 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.290 -13.413 4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.490 -11.377 3.530 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.737 -11.904 4.664 1.00 0.00 H new ATOM 689 N GLY A 62 3.897 -7.891 -1.248 1.00 0.00 N ATOM 690 CA GLY A 62 3.928 -7.642 -2.716 1.00 0.00 C ATOM 691 C GLY A 62 2.916 -6.554 -3.080 1.00 0.00 C ATOM 692 O GLY A 62 1.814 -6.836 -3.518 1.00 0.00 O ATOM 0 H GLY A 62 3.728 -7.068 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.929 -7.337 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.697 -8.561 -3.255 1.00 0.00 H new ATOM 696 N PHE A 63 3.279 -5.311 -2.915 1.00 0.00 N ATOM 697 CA PHE A 63 2.333 -4.214 -3.269 1.00 0.00 C ATOM 698 C PHE A 63 3.095 -3.022 -3.840 1.00 0.00 C ATOM 699 O PHE A 63 4.264 -3.113 -4.162 1.00 0.00 O ATOM 700 CB PHE A 63 1.639 -3.828 -1.964 1.00 0.00 C ATOM 701 CG PHE A 63 2.649 -3.268 -0.990 1.00 0.00 C ATOM 702 CD1 PHE A 63 2.976 -1.907 -1.027 1.00 0.00 C ATOM 703 CD2 PHE A 63 3.252 -4.107 -0.046 1.00 0.00 C ATOM 704 CE1 PHE A 63 3.908 -1.386 -0.121 1.00 0.00 C ATOM 705 CE2 PHE A 63 4.185 -3.587 0.860 1.00 0.00 C ATOM 706 CZ PHE A 63 4.512 -2.225 0.823 1.00 0.00 C ATOM 0 H PHE A 63 4.183 -5.009 -2.553 1.00 0.00 H new ATOM 0 HA PHE A 63 1.615 -4.529 -4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.862 -3.089 -2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.148 -4.700 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.509 -1.259 -1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.998 -5.156 -0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.161 -0.336 -0.151 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.652 -4.235 1.587 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.230 -1.823 1.522 1.00 0.00 H new ATOM 716 N GLY A 64 2.445 -1.903 -3.972 1.00 0.00 N ATOM 717 CA GLY A 64 3.141 -0.710 -4.530 1.00 0.00 C ATOM 718 C GLY A 64 2.287 0.541 -4.329 1.00 0.00 C ATOM 719 O GLY A 64 1.156 0.614 -4.766 1.00 0.00 O ATOM 0 H GLY A 64 1.467 -1.761 -3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.107 -0.582 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.338 -0.858 -5.592 1.00 0.00 H new ATOM 723 N PHE A 65 2.834 1.534 -3.690 1.00 0.00 N ATOM 724 CA PHE A 65 2.088 2.798 -3.468 1.00 0.00 C ATOM 725 C PHE A 65 2.267 3.700 -4.690 1.00 0.00 C ATOM 726 O PHE A 65 3.252 3.606 -5.393 1.00 0.00 O ATOM 727 CB PHE A 65 2.746 3.407 -2.232 1.00 0.00 C ATOM 728 CG PHE A 65 2.143 2.792 -0.988 1.00 0.00 C ATOM 729 CD1 PHE A 65 0.915 3.252 -0.491 1.00 0.00 C ATOM 730 CD2 PHE A 65 2.818 1.759 -0.327 1.00 0.00 C ATOM 731 CE1 PHE A 65 0.370 2.681 0.664 1.00 0.00 C ATOM 732 CE2 PHE A 65 2.272 1.188 0.825 1.00 0.00 C ATOM 733 CZ PHE A 65 1.051 1.649 1.322 1.00 0.00 C ATOM 0 H PHE A 65 3.779 1.522 -3.307 1.00 0.00 H new ATOM 0 HA PHE A 65 1.016 2.658 -3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.821 3.230 -2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.601 4.487 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.390 4.047 -1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.763 1.403 -0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.575 3.036 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.794 0.390 1.331 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.631 1.209 2.215 1.00 0.00 H new ATOM 743 N VAL A 66 1.328 4.559 -4.974 1.00 0.00 N ATOM 744 CA VAL A 66 1.485 5.427 -6.177 1.00 0.00 C ATOM 745 C VAL A 66 0.780 6.776 -5.996 1.00 0.00 C ATOM 746 O VAL A 66 -0.422 6.877 -6.102 1.00 0.00 O ATOM 747 CB VAL A 66 0.836 4.634 -7.312 1.00 0.00 C ATOM 748 CG1 VAL A 66 1.194 5.277 -8.654 1.00 0.00 C ATOM 749 CG2 VAL A 66 1.350 3.191 -7.285 1.00 0.00 C ATOM 0 H VAL A 66 0.472 4.698 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 66 2.532 5.660 -6.370 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.247 4.637 -7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.731 4.712 -9.463 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.829 6.304 -8.674 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.276 5.274 -8.782 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.888 2.625 -8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.433 3.188 -7.412 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.096 2.732 -6.330 1.00 0.00 H new ATOM 759 N THR A 67 1.524 7.817 -5.751 1.00 0.00 N ATOM 760 CA THR A 67 0.897 9.158 -5.597 1.00 0.00 C ATOM 761 C THR A 67 0.778 9.818 -6.975 1.00 0.00 C ATOM 762 O THR A 67 1.745 9.935 -7.701 1.00 0.00 O ATOM 763 CB THR A 67 1.844 9.945 -4.682 1.00 0.00 C ATOM 764 OG1 THR A 67 1.124 11.009 -4.069 1.00 0.00 O ATOM 765 CG2 THR A 67 3.014 10.510 -5.495 1.00 0.00 C ATOM 0 H THR A 67 2.539 7.797 -5.651 1.00 0.00 H new ATOM 0 HA THR A 67 -0.106 9.113 -5.173 1.00 0.00 H new ATOM 0 HB THR A 67 2.241 9.280 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.380 11.076 -3.126 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.680 11.067 -4.836 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.564 9.691 -5.959 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.631 11.175 -6.270 1.00 0.00 H new ATOM 773 N PHE A 68 -0.396 10.242 -7.347 1.00 0.00 N ATOM 774 CA PHE A 68 -0.563 10.879 -8.683 1.00 0.00 C ATOM 775 C PHE A 68 -0.483 12.404 -8.550 1.00 0.00 C ATOM 776 O PHE A 68 0.074 12.925 -7.604 1.00 0.00 O ATOM 777 CB PHE A 68 -1.958 10.459 -9.160 1.00 0.00 C ATOM 778 CG PHE A 68 -2.021 8.960 -9.381 1.00 0.00 C ATOM 779 CD1 PHE A 68 -1.837 8.076 -8.308 1.00 0.00 C ATOM 780 CD2 PHE A 68 -2.285 8.452 -10.662 1.00 0.00 C ATOM 781 CE1 PHE A 68 -1.912 6.694 -8.516 1.00 0.00 C ATOM 782 CE2 PHE A 68 -2.362 7.068 -10.867 1.00 0.00 C ATOM 783 CZ PHE A 68 -2.173 6.191 -9.793 1.00 0.00 C ATOM 0 H PHE A 68 -1.245 10.176 -6.786 1.00 0.00 H new ATOM 0 HA PHE A 68 0.214 10.573 -9.384 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.704 10.754 -8.422 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.203 10.979 -10.086 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.637 8.462 -7.319 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.429 9.129 -11.491 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.768 6.015 -7.688 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.567 6.678 -11.853 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.229 5.124 -9.951 1.00 0.00 H new ATOM 793 N MET A 69 -1.039 13.124 -9.488 1.00 0.00 N ATOM 794 CA MET A 69 -0.996 14.614 -9.407 1.00 0.00 C ATOM 795 C MET A 69 -1.883 15.229 -10.494 1.00 0.00 C ATOM 796 O MET A 69 -1.547 16.236 -11.086 1.00 0.00 O ATOM 797 CB MET A 69 0.470 14.983 -9.635 1.00 0.00 C ATOM 798 CG MET A 69 0.878 16.086 -8.654 1.00 0.00 C ATOM 799 SD MET A 69 -0.297 17.460 -8.763 1.00 0.00 S ATOM 800 CE MET A 69 0.479 18.522 -7.519 1.00 0.00 C ATOM 0 H MET A 69 -1.520 12.747 -10.305 1.00 0.00 H new ATOM 0 HA MET A 69 -1.364 14.986 -8.451 1.00 0.00 H new ATOM 0 HB2 MET A 69 1.102 14.106 -9.496 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.615 15.322 -10.661 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.900 15.693 -7.638 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.885 16.436 -8.883 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.093 19.445 -7.421 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.500 18.004 -6.560 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.498 18.757 -7.826 1.00 0.00 H new ATOM 810 N ASP A 70 -3.014 14.633 -10.759 1.00 0.00 N ATOM 811 CA ASP A 70 -3.922 15.185 -11.806 1.00 0.00 C ATOM 812 C ASP A 70 -5.382 14.892 -11.445 1.00 0.00 C ATOM 813 O ASP A 70 -5.763 14.920 -10.290 1.00 0.00 O ATOM 814 CB ASP A 70 -3.530 14.459 -13.093 1.00 0.00 C ATOM 815 CG ASP A 70 -4.044 13.018 -13.048 1.00 0.00 C ATOM 816 OD1 ASP A 70 -3.584 12.272 -12.200 1.00 0.00 O ATOM 817 OD2 ASP A 70 -4.889 12.687 -13.863 1.00 0.00 O ATOM 0 H ASP A 70 -3.349 13.788 -10.296 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.830 16.267 -11.906 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.947 14.978 -13.956 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.446 14.466 -13.210 1.00 0.00 H new ATOM 822 N GLN A 71 -6.201 14.609 -12.420 1.00 0.00 N ATOM 823 CA GLN A 71 -7.634 14.312 -12.129 1.00 0.00 C ATOM 824 C GLN A 71 -8.054 13.016 -12.824 1.00 0.00 C ATOM 825 O GLN A 71 -8.069 11.957 -12.228 1.00 0.00 O ATOM 826 CB GLN A 71 -8.410 15.500 -12.699 1.00 0.00 C ATOM 827 CG GLN A 71 -8.914 16.378 -11.551 1.00 0.00 C ATOM 828 CD GLN A 71 -10.440 16.300 -11.478 1.00 0.00 C ATOM 829 OE1 GLN A 71 -11.130 17.177 -11.959 1.00 0.00 O ATOM 830 NE2 GLN A 71 -11.002 15.276 -10.893 1.00 0.00 N ATOM 0 H GLN A 71 -5.941 14.570 -13.406 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.820 14.178 -11.063 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.770 16.082 -13.362 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.250 15.146 -13.297 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.477 16.048 -10.608 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.599 17.410 -11.704 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.424 14.539 -10.489 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.019 15.213 -10.840 1.00 0.00 H new ATOM 839 N ALA A 72 -8.395 13.089 -14.082 1.00 0.00 N ATOM 840 CA ALA A 72 -8.812 11.858 -14.811 1.00 0.00 C ATOM 841 C ALA A 72 -7.850 10.710 -14.497 1.00 0.00 C ATOM 842 O ALA A 72 -8.236 9.559 -14.444 1.00 0.00 O ATOM 843 CB ALA A 72 -8.739 12.230 -16.292 1.00 0.00 C ATOM 0 H ALA A 72 -8.403 13.946 -14.635 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.810 11.525 -14.525 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.033 11.372 -16.897 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.413 13.063 -16.492 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.719 12.520 -16.544 1.00 0.00 H new ATOM 849 N GLY A 73 -6.598 11.016 -14.286 1.00 0.00 N ATOM 850 CA GLY A 73 -5.611 9.944 -13.972 1.00 0.00 C ATOM 851 C GLY A 73 -6.219 8.976 -12.956 1.00 0.00 C ATOM 852 O GLY A 73 -6.085 7.774 -13.072 1.00 0.00 O ATOM 0 H GLY A 73 -6.217 11.962 -14.318 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.337 9.409 -14.881 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.697 10.382 -13.572 1.00 0.00 H new ATOM 856 N VAL A 74 -6.889 9.490 -11.960 1.00 0.00 N ATOM 857 CA VAL A 74 -7.506 8.594 -10.940 1.00 0.00 C ATOM 858 C VAL A 74 -8.596 7.736 -11.583 1.00 0.00 C ATOM 859 O VAL A 74 -8.573 6.523 -11.504 1.00 0.00 O ATOM 860 CB VAL A 74 -8.113 9.535 -9.900 1.00 0.00 C ATOM 861 CG1 VAL A 74 -8.593 8.720 -8.699 1.00 0.00 C ATOM 862 CG2 VAL A 74 -7.053 10.541 -9.445 1.00 0.00 C ATOM 0 H VAL A 74 -7.035 10.488 -11.809 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.780 7.911 -10.498 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.956 10.069 -10.337 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.027 9.389 -7.955 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.346 8.002 -9.024 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.749 8.187 -8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.484 11.213 -8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.210 10.008 -9.005 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.709 11.120 -10.302 1.00 0.00 H new ATOM 872 N ASP A 75 -9.553 8.356 -12.221 1.00 0.00 N ATOM 873 CA ASP A 75 -10.646 7.578 -12.872 1.00 0.00 C ATOM 874 C ASP A 75 -10.071 6.351 -13.581 1.00 0.00 C ATOM 875 O ASP A 75 -10.631 5.273 -13.535 1.00 0.00 O ATOM 876 CB ASP A 75 -11.268 8.543 -13.882 1.00 0.00 C ATOM 877 CG ASP A 75 -11.656 9.841 -13.173 1.00 0.00 C ATOM 878 OD1 ASP A 75 -11.524 9.893 -11.962 1.00 0.00 O ATOM 879 OD2 ASP A 75 -12.079 10.762 -13.853 1.00 0.00 O ATOM 0 H ASP A 75 -9.625 9.369 -12.319 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.380 7.212 -12.154 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -10.561 8.752 -14.685 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -12.147 8.090 -14.341 1.00 0.00 H new ATOM 884 N LYS A 76 -8.957 6.509 -14.233 1.00 0.00 N ATOM 885 CA LYS A 76 -8.341 5.356 -14.946 1.00 0.00 C ATOM 886 C LYS A 76 -7.737 4.375 -13.940 1.00 0.00 C ATOM 887 O LYS A 76 -7.942 3.180 -14.028 1.00 0.00 O ATOM 888 CB LYS A 76 -7.251 5.969 -15.827 1.00 0.00 C ATOM 889 CG LYS A 76 -7.857 7.067 -16.702 1.00 0.00 C ATOM 890 CD LYS A 76 -8.812 6.441 -17.719 1.00 0.00 C ATOM 891 CE LYS A 76 -9.884 7.461 -18.110 1.00 0.00 C ATOM 892 NZ LYS A 76 -11.007 6.649 -18.654 1.00 0.00 N ATOM 0 H LYS A 76 -8.444 7.388 -14.304 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.069 4.796 -15.534 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.456 6.382 -15.206 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.799 5.199 -16.453 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.391 7.788 -16.082 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.067 7.613 -17.218 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.260 6.121 -18.603 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.279 5.552 -17.296 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.203 8.049 -17.249 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.508 8.163 -18.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.782 7.279 -18.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.676 6.106 -19.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.349 5.995 -17.922 1.00 0.00 H new ATOM 906 N VAL A 77 -7.002 4.864 -12.980 1.00 0.00 N ATOM 907 CA VAL A 77 -6.402 3.957 -11.976 1.00 0.00 C ATOM 908 C VAL A 77 -7.490 3.072 -11.362 1.00 0.00 C ATOM 909 O VAL A 77 -7.528 1.880 -11.589 1.00 0.00 O ATOM 910 CB VAL A 77 -5.794 4.891 -10.937 1.00 0.00 C ATOM 911 CG1 VAL A 77 -5.133 4.064 -9.850 1.00 0.00 C ATOM 912 CG2 VAL A 77 -4.738 5.767 -11.605 1.00 0.00 C ATOM 0 H VAL A 77 -6.794 5.854 -12.852 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.656 3.283 -12.397 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.575 5.517 -10.505 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.696 4.727 -9.103 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.878 3.424 -9.376 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.350 3.446 -10.289 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.300 6.437 -10.865 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.957 5.136 -12.030 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.201 6.355 -12.398 1.00 0.00 H new ATOM 922 N LEU A 78 -8.385 3.642 -10.599 1.00 0.00 N ATOM 923 CA LEU A 78 -9.469 2.816 -10.001 1.00 0.00 C ATOM 924 C LEU A 78 -10.048 1.894 -11.073 1.00 0.00 C ATOM 925 O LEU A 78 -10.345 0.744 -10.815 1.00 0.00 O ATOM 926 CB LEU A 78 -10.527 3.803 -9.495 1.00 0.00 C ATOM 927 CG LEU A 78 -10.783 4.898 -10.533 1.00 0.00 C ATOM 928 CD1 LEU A 78 -12.119 4.638 -11.232 1.00 0.00 C ATOM 929 CD2 LEU A 78 -10.839 6.253 -9.824 1.00 0.00 C ATOM 0 H LEU A 78 -8.411 4.635 -10.367 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.110 2.188 -9.186 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.455 3.272 -9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.195 4.252 -8.559 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.982 4.898 -11.272 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.301 5.418 -11.971 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.087 3.668 -11.728 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.922 4.642 -10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.021 7.040 -10.556 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.645 6.247 -9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.891 6.439 -9.320 1.00 0.00 H new ATOM 941 N ALA A 79 -10.193 2.374 -12.281 1.00 0.00 N ATOM 942 CA ALA A 79 -10.730 1.498 -13.354 1.00 0.00 C ATOM 943 C ALA A 79 -9.969 0.172 -13.338 1.00 0.00 C ATOM 944 O ALA A 79 -10.461 -0.849 -13.776 1.00 0.00 O ATOM 945 CB ALA A 79 -10.477 2.252 -14.661 1.00 0.00 C ATOM 0 H ALA A 79 -9.964 3.326 -12.565 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.790 1.275 -13.228 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.849 1.663 -15.499 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.994 3.211 -14.634 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.407 2.420 -14.783 1.00 0.00 H new ATOM 951 N GLN A 80 -8.767 0.187 -12.823 1.00 0.00 N ATOM 952 CA GLN A 80 -7.955 -1.061 -12.756 1.00 0.00 C ATOM 953 C GLN A 80 -7.921 -1.583 -11.328 1.00 0.00 C ATOM 954 O GLN A 80 -6.996 -2.258 -10.922 1.00 0.00 O ATOM 955 CB GLN A 80 -6.555 -0.660 -13.212 1.00 0.00 C ATOM 956 CG GLN A 80 -6.644 0.191 -14.483 1.00 0.00 C ATOM 957 CD GLN A 80 -7.003 -0.702 -15.673 1.00 0.00 C ATOM 958 OE1 GLN A 80 -8.207 -1.197 -15.763 1.00 0.00 O flip ATOM 959 NE2 GLN A 80 -6.179 -0.951 -16.530 1.00 0.00 N flip ATOM 0 H GLN A 80 -8.311 1.017 -12.444 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.369 -1.854 -13.379 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.053 -0.100 -12.423 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.956 -1.551 -13.401 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.396 0.970 -14.360 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.693 0.692 -14.665 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.238 -0.564 -16.460 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.428 -1.547 -17.320 1.00 0.00 H new ATOM 968 N SER A 81 -8.938 -1.299 -10.569 1.00 0.00 N ATOM 969 CA SER A 81 -8.982 -1.800 -9.179 1.00 0.00 C ATOM 970 C SER A 81 -8.969 -3.333 -9.197 1.00 0.00 C ATOM 971 O SER A 81 -8.802 -3.978 -8.182 1.00 0.00 O ATOM 972 CB SER A 81 -10.291 -1.259 -8.606 1.00 0.00 C ATOM 973 OG SER A 81 -10.570 -1.909 -7.373 1.00 0.00 O ATOM 0 H SER A 81 -9.741 -0.740 -10.856 1.00 0.00 H new ATOM 0 HA SER A 81 -8.130 -1.481 -8.578 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.217 -0.182 -8.454 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.106 -1.426 -9.310 1.00 0.00 H new ATOM 0 HG SER A 81 -9.729 -2.120 -6.917 1.00 0.00 H new ATOM 979 N ARG A 82 -9.143 -3.918 -10.358 1.00 0.00 N ATOM 980 CA ARG A 82 -9.137 -5.397 -10.469 1.00 0.00 C ATOM 981 C ARG A 82 -7.857 -5.862 -11.171 1.00 0.00 C ATOM 982 O ARG A 82 -7.738 -7.005 -11.567 1.00 0.00 O ATOM 983 CB ARG A 82 -10.351 -5.716 -11.334 1.00 0.00 C ATOM 984 CG ARG A 82 -10.149 -5.083 -12.710 1.00 0.00 C ATOM 985 CD ARG A 82 -11.235 -4.031 -12.954 1.00 0.00 C ATOM 986 NE ARG A 82 -11.890 -4.439 -14.226 1.00 0.00 N ATOM 987 CZ ARG A 82 -12.470 -3.543 -14.980 1.00 0.00 C ATOM 988 NH1 ARG A 82 -13.427 -2.801 -14.492 1.00 0.00 N ATOM 989 NH2 ARG A 82 -12.091 -3.389 -16.219 1.00 0.00 N ATOM 0 H ARG A 82 -9.290 -3.422 -11.237 1.00 0.00 H new ATOM 0 HA ARG A 82 -9.173 -5.892 -9.498 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -10.475 -6.795 -11.428 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.258 -5.330 -10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.163 -4.623 -12.769 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -10.190 -5.849 -13.484 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -11.951 -4.005 -12.132 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.806 -3.032 -13.034 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.886 -5.419 -14.510 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -13.721 -2.921 -13.523 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -13.880 -2.101 -15.080 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.342 -3.968 -16.599 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.544 -2.690 -16.808 1.00 0.00 H new ATOM 1003 N HIS A 83 -6.921 -4.965 -11.340 1.00 0.00 N ATOM 1004 CA HIS A 83 -5.635 -5.285 -12.030 1.00 0.00 C ATOM 1005 C HIS A 83 -5.277 -6.770 -11.990 1.00 0.00 C ATOM 1006 O HIS A 83 -4.507 -7.207 -11.158 1.00 0.00 O ATOM 1007 CB HIS A 83 -4.587 -4.498 -11.263 1.00 0.00 C ATOM 1008 CG HIS A 83 -4.250 -3.246 -12.011 1.00 0.00 C ATOM 1009 ND1 HIS A 83 -4.045 -3.230 -13.381 1.00 0.00 N ATOM 1010 CD2 HIS A 83 -4.056 -1.964 -11.585 1.00 0.00 C ATOM 1011 CE1 HIS A 83 -3.739 -1.966 -13.728 1.00 0.00 C ATOM 1012 NE2 HIS A 83 -3.732 -1.151 -12.668 1.00 0.00 N ATOM 0 H HIS A 83 -6.996 -3.999 -11.020 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.703 -5.030 -13.088 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.959 -4.250 -10.269 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.691 -5.104 -11.126 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.141 -1.630 -10.561 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.525 -1.649 -14.738 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -3.533 -0.151 -12.655 1.00 0.00 H new ATOM 1020 N GLU A 84 -5.782 -7.537 -12.910 1.00 0.00 N ATOM 1021 CA GLU A 84 -5.416 -8.977 -12.956 1.00 0.00 C ATOM 1022 C GLU A 84 -4.483 -9.193 -14.141 1.00 0.00 C ATOM 1023 O GLU A 84 -4.820 -8.908 -15.272 1.00 0.00 O ATOM 1024 CB GLU A 84 -6.721 -9.744 -13.144 1.00 0.00 C ATOM 1025 CG GLU A 84 -6.459 -11.223 -12.867 1.00 0.00 C ATOM 1026 CD GLU A 84 -6.949 -12.060 -14.051 1.00 0.00 C ATOM 1027 OE1 GLU A 84 -8.122 -11.961 -14.376 1.00 0.00 O ATOM 1028 OE2 GLU A 84 -6.145 -12.786 -14.612 1.00 0.00 O ATOM 0 H GLU A 84 -6.433 -7.230 -13.633 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.908 -9.314 -12.052 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.486 -9.362 -12.468 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.097 -9.609 -14.158 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.394 -11.390 -12.706 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.971 -11.529 -11.955 1.00 0.00 H new ATOM 1035 N LEU A 85 -3.308 -9.684 -13.887 1.00 0.00 N ATOM 1036 CA LEU A 85 -2.349 -9.907 -14.994 1.00 0.00 C ATOM 1037 C LEU A 85 -1.562 -11.194 -14.752 1.00 0.00 C ATOM 1038 O LEU A 85 -2.042 -12.275 -15.028 1.00 0.00 O ATOM 1039 CB LEU A 85 -1.414 -8.674 -15.059 1.00 0.00 C ATOM 1040 CG LEU A 85 -1.373 -7.871 -13.739 1.00 0.00 C ATOM 1041 CD1 LEU A 85 -2.705 -7.154 -13.501 1.00 0.00 C ATOM 1042 CD2 LEU A 85 -1.066 -8.788 -12.551 1.00 0.00 C ATOM 0 H LEU A 85 -2.970 -9.941 -12.959 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.868 -10.022 -15.945 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.405 -9.004 -15.308 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.743 -8.019 -15.865 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.579 -7.129 -13.827 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.655 -6.595 -12.567 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.901 -6.468 -14.325 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.508 -7.889 -13.442 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.042 -8.200 -11.634 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.839 -9.552 -12.472 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.098 -9.265 -12.701 1.00 0.00 H new ATOM 1054 N ASP A 86 -0.375 -11.106 -14.225 1.00 0.00 N ATOM 1055 CA ASP A 86 0.400 -12.333 -13.954 1.00 0.00 C ATOM 1056 C ASP A 86 -0.263 -13.088 -12.806 1.00 0.00 C ATOM 1057 O ASP A 86 0.357 -13.377 -11.803 1.00 0.00 O ATOM 1058 CB ASP A 86 1.793 -11.842 -13.550 1.00 0.00 C ATOM 1059 CG ASP A 86 2.647 -13.033 -13.111 1.00 0.00 C ATOM 1060 OD1 ASP A 86 2.932 -13.872 -13.949 1.00 0.00 O ATOM 1061 OD2 ASP A 86 3.001 -13.084 -11.945 1.00 0.00 O ATOM 0 H ASP A 86 0.088 -10.233 -13.972 1.00 0.00 H new ATOM 0 HA ASP A 86 0.451 -13.007 -14.809 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.267 -11.330 -14.388 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.714 -11.119 -12.738 1.00 0.00 H new ATOM 1066 N SER A 87 -1.529 -13.402 -12.942 1.00 0.00 N ATOM 1067 CA SER A 87 -2.244 -14.128 -11.858 1.00 0.00 C ATOM 1068 C SER A 87 -2.447 -13.208 -10.653 1.00 0.00 C ATOM 1069 O SER A 87 -2.855 -13.641 -9.594 1.00 0.00 O ATOM 1070 CB SER A 87 -1.320 -15.281 -11.495 1.00 0.00 C ATOM 1071 OG SER A 87 -2.052 -16.500 -11.507 1.00 0.00 O ATOM 0 H SER A 87 -2.095 -13.184 -13.762 1.00 0.00 H new ATOM 0 HA SER A 87 -3.232 -14.471 -12.166 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.493 -15.335 -12.203 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.885 -15.116 -10.509 1.00 0.00 H new ATOM 0 HG SER A 87 -1.456 -17.242 -11.275 1.00 0.00 H new ATOM 1077 N LYS A 88 -2.145 -11.945 -10.796 1.00 0.00 N ATOM 1078 CA LYS A 88 -2.301 -11.013 -9.662 1.00 0.00 C ATOM 1079 C LYS A 88 -3.439 -10.034 -9.923 1.00 0.00 C ATOM 1080 O LYS A 88 -3.335 -9.165 -10.761 1.00 0.00 O ATOM 1081 CB LYS A 88 -0.986 -10.230 -9.562 1.00 0.00 C ATOM 1082 CG LYS A 88 0.168 -10.993 -10.219 1.00 0.00 C ATOM 1083 CD LYS A 88 0.422 -12.307 -9.474 1.00 0.00 C ATOM 1084 CE LYS A 88 0.376 -12.066 -7.962 1.00 0.00 C ATOM 1085 NZ LYS A 88 0.642 -13.398 -7.351 1.00 0.00 N ATOM 0 H LYS A 88 -1.796 -11.525 -11.657 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.527 -11.559 -8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.102 -9.258 -10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.751 -10.042 -8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.069 -11.198 -11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.070 -10.381 -10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.328 -13.046 -9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.393 -12.714 -9.757 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.124 -11.335 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.594 -11.677 -7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.627 -13.314 -6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.090 -14.072 -7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.575 -13.740 -7.657 1.00 0.00 H new ATOM 1099 N THR A 89 -4.504 -10.142 -9.189 1.00 0.00 N ATOM 1100 CA THR A 89 -5.628 -9.185 -9.372 1.00 0.00 C ATOM 1101 C THR A 89 -5.389 -7.990 -8.453 1.00 0.00 C ATOM 1102 O THR A 89 -6.134 -7.747 -7.525 1.00 0.00 O ATOM 1103 CB THR A 89 -6.884 -9.953 -8.957 1.00 0.00 C ATOM 1104 OG1 THR A 89 -8.016 -9.101 -9.067 1.00 0.00 O ATOM 1105 CG2 THR A 89 -6.739 -10.429 -7.510 1.00 0.00 C ATOM 0 H THR A 89 -4.648 -10.851 -8.469 1.00 0.00 H new ATOM 0 HA THR A 89 -5.721 -8.814 -10.393 1.00 0.00 H new ATOM 0 HB THR A 89 -7.014 -10.817 -9.609 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.909 -8.335 -8.465 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.635 -10.976 -7.215 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.871 -11.083 -7.427 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.608 -9.568 -6.855 1.00 0.00 H new ATOM 1113 N ILE A 90 -4.323 -7.268 -8.689 1.00 0.00 N ATOM 1114 CA ILE A 90 -3.996 -6.101 -7.814 1.00 0.00 C ATOM 1115 C ILE A 90 -5.259 -5.302 -7.504 1.00 0.00 C ATOM 1116 O ILE A 90 -6.322 -5.548 -8.038 1.00 0.00 O ATOM 1117 CB ILE A 90 -3.003 -5.198 -8.567 1.00 0.00 C ATOM 1118 CG1 ILE A 90 -2.131 -5.999 -9.547 1.00 0.00 C ATOM 1119 CG2 ILE A 90 -2.089 -4.514 -7.555 1.00 0.00 C ATOM 1120 CD1 ILE A 90 -1.054 -5.084 -10.136 1.00 0.00 C ATOM 0 H ILE A 90 -3.665 -7.436 -9.450 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.565 -6.455 -6.877 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.579 -4.469 -9.136 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.667 -6.841 -9.033 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.748 -6.413 -10.345 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.382 -3.872 -8.080 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.688 -3.912 -6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.543 -5.269 -6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.435 -5.651 -10.831 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.528 -4.257 -10.664 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.431 -4.692 -9.332 1.00 0.00 H new ATOM 1132 N ASP A 91 -5.146 -4.344 -6.635 1.00 0.00 N ATOM 1133 CA ASP A 91 -6.329 -3.533 -6.265 1.00 0.00 C ATOM 1134 C ASP A 91 -5.933 -2.078 -6.017 1.00 0.00 C ATOM 1135 O ASP A 91 -5.844 -1.652 -4.883 1.00 0.00 O ATOM 1136 CB ASP A 91 -6.791 -4.168 -4.968 1.00 0.00 C ATOM 1137 CG ASP A 91 -8.275 -3.877 -4.741 1.00 0.00 C ATOM 1138 OD1 ASP A 91 -8.754 -2.892 -5.280 1.00 0.00 O ATOM 1139 OD2 ASP A 91 -8.907 -4.643 -4.033 1.00 0.00 O ATOM 0 H ASP A 91 -4.279 -4.087 -6.163 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.092 -3.519 -7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.624 -5.245 -5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.205 -3.780 -4.135 1.00 0.00 H new ATOM 1144 N PRO A 92 -5.715 -1.352 -7.078 1.00 0.00 N ATOM 1145 CA PRO A 92 -5.337 0.072 -6.951 1.00 0.00 C ATOM 1146 C PRO A 92 -6.341 0.804 -6.059 1.00 0.00 C ATOM 1147 O PRO A 92 -7.486 0.979 -6.421 1.00 0.00 O ATOM 1148 CB PRO A 92 -5.458 0.572 -8.389 1.00 0.00 C ATOM 1149 CG PRO A 92 -5.946 -0.590 -9.270 1.00 0.00 C ATOM 1150 CD PRO A 92 -5.832 -1.888 -8.456 1.00 0.00 C ATOM 0 HA PRO A 92 -4.353 0.228 -6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.157 1.407 -8.442 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.495 0.939 -8.745 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.978 -0.425 -9.580 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.347 -0.657 -10.178 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -6.706 -2.528 -8.576 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.962 -2.479 -8.743 1.00 0.00 H new ATOM 1158 N LYS A 93 -5.930 1.244 -4.906 1.00 0.00 N ATOM 1159 CA LYS A 93 -6.889 1.973 -4.025 1.00 0.00 C ATOM 1160 C LYS A 93 -6.531 3.457 -3.956 1.00 0.00 C ATOM 1161 O LYS A 93 -5.580 3.872 -3.327 1.00 0.00 O ATOM 1162 CB LYS A 93 -6.816 1.305 -2.649 1.00 0.00 C ATOM 1163 CG LYS A 93 -5.628 1.841 -1.841 1.00 0.00 C ATOM 1164 CD LYS A 93 -5.072 0.735 -0.941 1.00 0.00 C ATOM 1165 CE LYS A 93 -6.226 0.035 -0.220 1.00 0.00 C ATOM 1166 NZ LYS A 93 -5.573 -0.860 0.774 1.00 0.00 N ATOM 0 H LYS A 93 -4.986 1.135 -4.536 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.906 1.922 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.742 1.485 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.722 0.226 -2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.850 2.199 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.942 2.691 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.511 0.015 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.378 1.157 -0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -6.881 0.756 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.841 -0.533 -0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.686 -1.850 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.561 -0.630 0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.016 -0.726 1.706 1.00 0.00 H new ATOM 1180 N VAL A 94 -7.294 4.258 -4.619 1.00 0.00 N ATOM 1181 CA VAL A 94 -7.019 5.718 -4.616 1.00 0.00 C ATOM 1182 C VAL A 94 -7.911 6.427 -3.593 1.00 0.00 C ATOM 1183 O VAL A 94 -9.108 6.226 -3.555 1.00 0.00 O ATOM 1184 CB VAL A 94 -7.321 6.169 -6.042 1.00 0.00 C ATOM 1185 CG1 VAL A 94 -6.952 7.645 -6.201 1.00 0.00 C ATOM 1186 CG2 VAL A 94 -6.488 5.325 -7.014 1.00 0.00 C ATOM 0 H VAL A 94 -8.103 3.970 -5.169 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.994 5.956 -4.331 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.382 6.041 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.168 7.966 -7.220 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.535 8.243 -5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.890 7.779 -5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.695 5.638 -8.037 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.428 5.463 -6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.748 4.273 -6.897 1.00 0.00 H new ATOM 1196 N ALA A 95 -7.337 7.252 -2.760 1.00 0.00 N ATOM 1197 CA ALA A 95 -8.155 7.966 -1.737 1.00 0.00 C ATOM 1198 C ALA A 95 -7.492 9.290 -1.349 1.00 0.00 C ATOM 1199 O ALA A 95 -6.357 9.552 -1.694 1.00 0.00 O ATOM 1200 CB ALA A 95 -8.199 7.018 -0.539 1.00 0.00 C ATOM 0 H ALA A 95 -6.339 7.463 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.151 8.211 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.784 7.470 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -8.659 6.076 -0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.185 6.831 -0.186 1.00 0.00 H new ATOM 1206 N PHE A 96 -8.194 10.123 -0.628 1.00 0.00 N ATOM 1207 CA PHE A 96 -7.607 11.430 -0.211 1.00 0.00 C ATOM 1208 C PHE A 96 -7.537 11.509 1.319 1.00 0.00 C ATOM 1209 O PHE A 96 -8.401 12.090 1.946 1.00 0.00 O ATOM 1210 CB PHE A 96 -8.562 12.490 -0.760 1.00 0.00 C ATOM 1211 CG PHE A 96 -8.084 12.947 -2.117 1.00 0.00 C ATOM 1212 CD1 PHE A 96 -8.235 12.111 -3.231 1.00 0.00 C ATOM 1213 CD2 PHE A 96 -7.491 14.207 -2.263 1.00 0.00 C ATOM 1214 CE1 PHE A 96 -7.792 12.536 -4.489 1.00 0.00 C ATOM 1215 CE2 PHE A 96 -7.049 14.631 -3.522 1.00 0.00 C ATOM 1216 CZ PHE A 96 -7.199 13.796 -4.635 1.00 0.00 C ATOM 0 H PHE A 96 -9.148 9.955 -0.310 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.593 11.567 -0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -9.570 12.082 -0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -8.613 13.338 -0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -8.693 11.139 -3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.375 14.852 -1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -7.908 11.891 -5.348 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.592 15.603 -3.634 1.00 0.00 H new ATOM 0 HZ PHE A 96 -6.858 14.123 -5.606 1.00 0.00 H new TER 1226 PHE A 96