USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 ASN : amide:sc= -0.812 K(o=-1.2,f=-2.2) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -114:sc= 0 (180deg=0) USER MOD Set 1.3: A 118 GLN : amide:sc= -0.426 X(o=-1.2,f=-0.84) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.0944 X(o=0.26,f=0.05) USER MOD Set 2.2: A 75 SER OG : rot 106:sc= 0.103 USER MOD Set 2.3: A 76 THR OG1 : rot 180:sc= 0.0577 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 70 TYR OH : rot 159:sc= 0.591 USER MOD Single : A 74 TYR OH : rot 32:sc= 0.715 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 159:sc= -0.133 (180deg=-0.953) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0156) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 59 -3.184 -12.243 0.073 1.00 0.00 N ATOM 2 CA TRP A 59 -2.435 -10.968 0.095 1.00 0.00 C ATOM 3 C TRP A 59 -3.076 -10.010 -0.856 1.00 0.00 C ATOM 4 O TRP A 59 -2.526 -9.669 -1.900 1.00 0.00 O ATOM 5 CB TRP A 59 -0.938 -11.224 -0.156 1.00 0.00 C ATOM 6 CG TRP A 59 -0.309 -12.103 0.901 1.00 0.00 C ATOM 7 CD1 TRP A 59 0.337 -11.737 2.045 1.00 0.00 C ATOM 8 CD2 TRP A 59 -0.258 -13.540 0.848 1.00 0.00 C ATOM 9 NE1 TRP A 59 0.782 -12.849 2.711 1.00 0.00 N ATOM 10 CE2 TRP A 59 0.417 -13.967 1.993 1.00 0.00 C ATOM 11 CE3 TRP A 59 -0.727 -14.430 -0.075 1.00 0.00 C ATOM 12 CZ2 TRP A 59 0.617 -15.293 2.239 1.00 0.00 C ATOM 13 CZ3 TRP A 59 -0.524 -15.771 0.174 1.00 0.00 C ATOM 14 CH2 TRP A 59 0.135 -16.196 1.314 1.00 0.00 C ATOM 0 HA TRP A 59 -2.480 -10.500 1.078 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.813 -11.692 -1.133 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.411 -10.270 -0.189 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.477 -10.719 2.378 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.297 -12.849 3.591 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -1.238 -14.096 -0.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.135 -15.625 3.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.886 -16.503 -0.533 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.275 -17.254 1.483 1.00 0.00 H new ATOM 27 N ILE A 60 -4.316 -9.600 -0.499 1.00 0.00 N ATOM 28 CA ILE A 60 -5.224 -8.936 -1.399 1.00 0.00 C ATOM 29 C ILE A 60 -6.088 -7.956 -0.680 1.00 0.00 C ATOM 30 O ILE A 60 -6.064 -6.763 -0.978 1.00 0.00 O ATOM 31 CB ILE A 60 -6.127 -9.803 -2.251 1.00 0.00 C ATOM 32 CG1 ILE A 60 -6.066 -11.307 -1.918 1.00 0.00 C ATOM 33 CG2 ILE A 60 -5.735 -9.498 -3.707 1.00 0.00 C ATOM 34 CD1 ILE A 60 -6.681 -11.610 -0.558 1.00 0.00 C ATOM 0 H ILE A 60 -4.697 -9.733 0.438 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.531 -8.458 -2.091 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.172 -9.563 -2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.591 -11.872 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.028 -11.640 -1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.351 -10.093 -4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.891 -8.439 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.685 -9.746 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.618 -12.680 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.139 -11.066 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.726 -11.301 -0.554 1.00 0.00 H new ATOM 46 N ALA A 61 -6.889 -8.453 0.277 1.00 0.00 N ATOM 47 CA ALA A 61 -7.850 -7.663 0.980 1.00 0.00 C ATOM 48 C ALA A 61 -7.223 -7.246 2.261 1.00 0.00 C ATOM 49 O ALA A 61 -7.849 -6.559 3.063 1.00 0.00 O ATOM 50 CB ALA A 61 -9.118 -8.459 1.326 1.00 0.00 C ATOM 0 H ALA A 61 -6.868 -9.430 0.570 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.136 -6.823 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.817 -7.815 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.583 -8.819 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.854 -9.308 1.956 1.00 0.00 H new ATOM 56 N ARG A 62 -5.958 -7.657 2.478 1.00 0.00 N ATOM 57 CA ARG A 62 -5.189 -7.201 3.596 1.00 0.00 C ATOM 58 C ARG A 62 -4.618 -5.864 3.254 1.00 0.00 C ATOM 59 O ARG A 62 -4.297 -5.073 4.137 1.00 0.00 O ATOM 60 CB ARG A 62 -4.019 -8.120 3.979 1.00 0.00 C ATOM 61 CG ARG A 62 -3.942 -9.428 3.187 1.00 0.00 C ATOM 62 CD ARG A 62 -2.924 -10.391 3.808 1.00 0.00 C ATOM 63 NE ARG A 62 -3.244 -11.760 3.317 1.00 0.00 N ATOM 64 CZ ARG A 62 -2.627 -12.860 3.840 1.00 0.00 C ATOM 65 NH1 ARG A 62 -1.753 -12.733 4.879 1.00 0.00 N ATOM 66 NH2 ARG A 62 -2.887 -14.093 3.314 1.00 0.00 N ATOM 0 H ARG A 62 -5.465 -8.312 1.872 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.868 -7.177 4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.086 -7.573 3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.095 -8.358 5.040 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.924 -9.899 3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.663 -9.216 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.909 -10.110 3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.974 -10.353 4.896 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.936 -11.878 2.577 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.557 -11.812 5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.296 -13.559 5.265 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.539 -14.188 2.535 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.429 -14.919 3.700 1.00 0.00 H new ATOM 80 N ILE A 63 -4.473 -5.594 1.940 1.00 0.00 N ATOM 81 CA ILE A 63 -3.966 -4.401 1.389 1.00 0.00 C ATOM 82 C ILE A 63 -5.072 -3.417 1.451 1.00 0.00 C ATOM 83 O ILE A 63 -4.845 -2.254 1.768 1.00 0.00 O ATOM 84 CB ILE A 63 -3.619 -4.652 -0.054 1.00 0.00 C ATOM 85 CG1 ILE A 63 -2.787 -5.940 -0.158 1.00 0.00 C ATOM 86 CG2 ILE A 63 -2.807 -3.454 -0.514 1.00 0.00 C ATOM 87 CD1 ILE A 63 -2.312 -6.309 -1.566 1.00 0.00 C ATOM 0 H ILE A 63 -4.734 -6.271 1.223 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.082 -4.048 1.920 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.508 -4.776 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.913 -5.840 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.379 -6.767 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.527 -3.584 -1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.403 -2.548 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.907 -3.369 0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.735 -7.233 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.176 -6.449 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.687 -5.508 -1.961 1.00 0.00 H new ATOM 99 N ASN A 64 -6.303 -3.889 1.169 1.00 0.00 N ATOM 100 CA ASN A 64 -7.490 -3.087 1.253 1.00 0.00 C ATOM 101 C ASN A 64 -7.686 -2.674 2.663 1.00 0.00 C ATOM 102 O ASN A 64 -8.018 -1.528 2.956 1.00 0.00 O ATOM 103 CB ASN A 64 -8.746 -3.882 0.879 1.00 0.00 C ATOM 104 CG ASN A 64 -9.920 -2.916 0.751 1.00 0.00 C ATOM 105 OD1 ASN A 64 -9.881 -1.956 -0.028 1.00 0.00 O ATOM 106 ND2 ASN A 64 -10.993 -3.191 1.555 1.00 0.00 N ATOM 0 H ASN A 64 -6.478 -4.850 0.876 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.359 -2.247 0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.591 -4.413 -0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.957 -4.634 1.640 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.816 -2.589 1.530 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.969 -3.998 2.179 1.00 0.00 H new ATOM 113 N ALA A 65 -7.468 -3.645 3.562 1.00 0.00 N ATOM 114 CA ALA A 65 -7.683 -3.471 4.969 1.00 0.00 C ATOM 115 C ALA A 65 -6.684 -2.524 5.543 1.00 0.00 C ATOM 116 O ALA A 65 -6.961 -1.881 6.554 1.00 0.00 O ATOM 117 CB ALA A 65 -7.556 -4.773 5.772 1.00 0.00 C ATOM 0 H ALA A 65 -7.134 -4.575 3.310 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.702 -3.093 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.731 -4.568 6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.292 -5.493 5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.555 -5.184 5.643 1.00 0.00 H new ATOM 123 N ALA A 66 -5.492 -2.412 4.923 1.00 0.00 N ATOM 124 CA ALA A 66 -4.490 -1.558 5.484 1.00 0.00 C ATOM 125 C ALA A 66 -4.706 -0.133 5.071 1.00 0.00 C ATOM 126 O ALA A 66 -4.456 0.782 5.856 1.00 0.00 O ATOM 127 CB ALA A 66 -3.090 -1.961 5.031 1.00 0.00 C ATOM 0 H ALA A 66 -5.229 -2.894 4.064 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.572 -1.659 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.356 -1.290 5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.886 -2.984 5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.027 -1.897 3.945 1.00 0.00 H new ATOM 133 N VAL A 67 -5.159 0.091 3.818 1.00 0.00 N ATOM 134 CA VAL A 67 -5.128 1.401 3.229 1.00 0.00 C ATOM 135 C VAL A 67 -6.411 2.130 3.486 1.00 0.00 C ATOM 136 O VAL A 67 -6.515 3.316 3.175 1.00 0.00 O ATOM 137 CB VAL A 67 -4.918 1.390 1.729 1.00 0.00 C ATOM 138 CG1 VAL A 67 -3.553 0.775 1.378 1.00 0.00 C ATOM 139 CG2 VAL A 67 -6.076 0.671 1.020 1.00 0.00 C ATOM 0 H VAL A 67 -5.546 -0.634 3.214 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.279 1.898 3.698 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.912 2.419 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.421 0.776 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.760 1.362 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.510 -0.249 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.903 0.676 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.136 -0.358 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.012 1.185 1.239 1.00 0.00 H new ATOM 149 N ARG A 68 -7.422 1.440 4.062 1.00 0.00 N ATOM 150 CA ARG A 68 -8.737 2.000 4.237 1.00 0.00 C ATOM 151 C ARG A 68 -8.771 2.895 5.433 1.00 0.00 C ATOM 152 O ARG A 68 -9.775 3.558 5.691 1.00 0.00 O ATOM 153 CB ARG A 68 -9.835 0.930 4.395 1.00 0.00 C ATOM 154 CG ARG A 68 -9.685 0.065 5.653 1.00 0.00 C ATOM 155 CD ARG A 68 -10.624 -1.141 5.661 1.00 0.00 C ATOM 156 NE ARG A 68 -12.029 -0.642 5.683 1.00 0.00 N ATOM 157 CZ ARG A 68 -13.074 -1.510 5.833 1.00 0.00 C ATOM 158 NH1 ARG A 68 -12.845 -2.847 5.980 1.00 0.00 N ATOM 159 NH2 ARG A 68 -14.355 -1.035 5.837 1.00 0.00 N ATOM 0 H ARG A 68 -7.327 0.486 4.409 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.944 2.564 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.807 1.422 4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.826 0.283 3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.655 -0.283 5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.880 0.677 6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.455 -1.760 4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.430 -1.767 6.532 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.212 0.357 5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.890 -3.204 5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.629 -3.490 6.092 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.529 -0.036 5.728 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.138 -1.680 5.949 1.00 0.00 H new ATOM 173 N ALA A 69 -7.646 2.950 6.172 1.00 0.00 N ATOM 174 CA ALA A 69 -7.481 3.849 7.268 1.00 0.00 C ATOM 175 C ALA A 69 -7.386 5.242 6.736 1.00 0.00 C ATOM 176 O ALA A 69 -7.852 6.186 7.372 1.00 0.00 O ATOM 177 CB ALA A 69 -6.174 3.581 8.028 1.00 0.00 C ATOM 0 H ALA A 69 -6.835 2.355 6.002 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.331 3.713 7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.083 4.285 8.855 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.182 2.563 8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.328 3.705 7.352 1.00 0.00 H new ATOM 183 N TYR A 70 -6.763 5.399 5.550 1.00 0.00 N ATOM 184 CA TYR A 70 -6.427 6.692 5.045 1.00 0.00 C ATOM 185 C TYR A 70 -7.593 7.235 4.290 1.00 0.00 C ATOM 186 O TYR A 70 -8.013 8.367 4.525 1.00 0.00 O ATOM 187 CB TYR A 70 -5.234 6.633 4.080 1.00 0.00 C ATOM 188 CG TYR A 70 -4.095 5.929 4.744 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.577 6.369 5.950 1.00 0.00 C ATOM 190 CD2 TYR A 70 -3.536 4.816 4.141 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.530 5.699 6.548 1.00 0.00 C ATOM 192 CE2 TYR A 70 -2.488 4.144 4.739 1.00 0.00 C ATOM 193 CZ TYR A 70 -1.984 4.587 5.944 1.00 0.00 C ATOM 194 OH TYR A 70 -0.902 3.920 6.555 1.00 0.00 O ATOM 0 H TYR A 70 -6.493 4.626 4.942 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.166 7.323 5.895 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.516 6.110 3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.935 7.641 3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.996 7.243 6.426 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.923 4.470 3.194 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.137 6.047 7.492 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.063 3.272 4.263 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.846 3.004 6.210 1.00 0.00 H new ATOM 204 N GLY A 71 -8.142 6.430 3.359 1.00 0.00 N ATOM 205 CA GLY A 71 -9.173 6.916 2.487 1.00 0.00 C ATOM 206 C GLY A 71 -8.996 6.260 1.158 1.00 0.00 C ATOM 207 O GLY A 71 -9.885 6.321 0.310 1.00 0.00 O ATOM 0 H GLY A 71 -7.878 5.456 3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.157 6.689 2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.110 8.000 2.389 1.00 0.00 H new ATOM 211 N LEU A 72 -7.834 5.608 0.957 1.00 0.00 N ATOM 212 CA LEU A 72 -7.587 4.841 -0.232 1.00 0.00 C ATOM 213 C LEU A 72 -8.366 3.600 -0.063 1.00 0.00 C ATOM 214 O LEU A 72 -8.642 3.174 1.055 1.00 0.00 O ATOM 215 CB LEU A 72 -6.123 4.410 -0.407 1.00 0.00 C ATOM 216 CG LEU A 72 -5.110 5.529 -0.742 1.00 0.00 C ATOM 217 CD1 LEU A 72 -5.534 6.373 -1.952 1.00 0.00 C ATOM 218 CD2 LEU A 72 -4.704 6.401 0.459 1.00 0.00 C ATOM 0 H LEU A 72 -7.060 5.611 1.621 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.850 5.453 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.799 3.921 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.080 3.662 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.203 4.995 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.785 7.142 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.624 5.732 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.495 6.845 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.992 7.159 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.588 6.887 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.244 5.775 1.224 1.00 0.00 H new ATOM 230 N ASN A 73 -8.777 3.027 -1.204 1.00 0.00 N ATOM 231 CA ASN A 73 -9.593 1.861 -1.209 1.00 0.00 C ATOM 232 C ASN A 73 -8.874 0.801 -1.958 1.00 0.00 C ATOM 233 O ASN A 73 -9.494 -0.158 -2.414 1.00 0.00 O ATOM 234 CB ASN A 73 -11.013 2.087 -1.785 1.00 0.00 C ATOM 235 CG ASN A 73 -11.003 2.395 -3.289 1.00 0.00 C ATOM 236 OD1 ASN A 73 -11.446 1.562 -4.091 1.00 0.00 O ATOM 237 ND2 ASN A 73 -10.525 3.618 -3.667 1.00 0.00 N ATOM 0 H ASN A 73 -8.540 3.377 -2.132 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.760 1.564 -0.174 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.619 1.199 -1.605 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.489 2.911 -1.253 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.522 3.882 -4.652 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.171 4.267 -2.964 1.00 0.00 H new ATOM 244 N TYR A 74 -7.534 0.981 -2.078 1.00 0.00 N ATOM 245 CA TYR A 74 -6.599 0.070 -2.691 1.00 0.00 C ATOM 246 C TYR A 74 -6.582 0.323 -4.168 1.00 0.00 C ATOM 247 O TYR A 74 -5.587 0.030 -4.814 1.00 0.00 O ATOM 248 CB TYR A 74 -6.793 -1.436 -2.307 1.00 0.00 C ATOM 249 CG TYR A 74 -5.819 -2.434 -2.879 1.00 0.00 C ATOM 250 CD1 TYR A 74 -4.500 -2.151 -3.209 1.00 0.00 C ATOM 251 CD2 TYR A 74 -6.271 -3.733 -3.062 1.00 0.00 C ATOM 252 CE1 TYR A 74 -3.709 -3.105 -3.821 1.00 0.00 C ATOM 253 CE2 TYR A 74 -5.478 -4.689 -3.657 1.00 0.00 C ATOM 254 CZ TYR A 74 -4.206 -4.368 -4.065 1.00 0.00 C ATOM 255 OH TYR A 74 -3.432 -5.337 -4.732 1.00 0.00 O ATOM 0 H TYR A 74 -7.076 1.820 -1.722 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.611 0.279 -2.281 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.754 -1.513 -1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.796 -1.734 -2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.089 -1.178 -2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.264 -4.000 -2.731 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.697 -2.860 -4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.856 -5.690 -3.803 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.485 -5.206 -4.514 1.00 0.00 H new ATOM 265 N SER A 75 -7.662 0.888 -4.745 1.00 0.00 N ATOM 266 CA SER A 75 -7.756 1.050 -6.171 1.00 0.00 C ATOM 267 C SER A 75 -7.025 2.274 -6.600 1.00 0.00 C ATOM 268 O SER A 75 -6.397 2.296 -7.656 1.00 0.00 O ATOM 269 CB SER A 75 -9.200 1.186 -6.671 1.00 0.00 C ATOM 270 OG SER A 75 -9.935 0.016 -6.346 1.00 0.00 O ATOM 0 H SER A 75 -8.470 1.233 -4.227 1.00 0.00 H new ATOM 0 HA SER A 75 -7.320 0.147 -6.598 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.670 2.059 -6.218 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.208 1.343 -7.750 1.00 0.00 H new ATOM 0 HG SER A 75 -10.546 0.209 -5.605 1.00 0.00 H new ATOM 276 N THR A 76 -7.117 3.341 -5.786 1.00 0.00 N ATOM 277 CA THR A 76 -6.517 4.594 -6.126 1.00 0.00 C ATOM 278 C THR A 76 -5.098 4.554 -5.659 1.00 0.00 C ATOM 279 O THR A 76 -4.219 5.213 -6.223 1.00 0.00 O ATOM 280 CB THR A 76 -7.236 5.746 -5.487 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.725 5.360 -4.213 1.00 0.00 O ATOM 282 CG2 THR A 76 -8.427 6.126 -6.383 1.00 0.00 C ATOM 0 H THR A 76 -7.607 3.336 -4.892 1.00 0.00 H new ATOM 0 HA THR A 76 -6.573 4.743 -7.204 1.00 0.00 H new ATOM 0 HB THR A 76 -6.555 6.589 -5.370 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.192 6.116 -3.799 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.965 6.963 -5.937 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.063 6.413 -7.370 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.098 5.272 -6.478 1.00 0.00 H new ATOM 290 N PHE A 77 -4.850 3.712 -4.637 1.00 0.00 N ATOM 291 CA PHE A 77 -3.532 3.452 -4.151 1.00 0.00 C ATOM 292 C PHE A 77 -2.789 2.794 -5.253 1.00 0.00 C ATOM 293 O PHE A 77 -1.623 3.100 -5.480 1.00 0.00 O ATOM 294 CB PHE A 77 -3.544 2.455 -2.981 1.00 0.00 C ATOM 295 CG PHE A 77 -2.272 2.510 -2.195 1.00 0.00 C ATOM 296 CD1 PHE A 77 -1.830 3.694 -1.630 1.00 0.00 C ATOM 297 CD2 PHE A 77 -1.546 1.353 -1.976 1.00 0.00 C ATOM 298 CE1 PHE A 77 -0.709 3.727 -0.827 1.00 0.00 C ATOM 299 CE2 PHE A 77 -0.409 1.396 -1.189 1.00 0.00 C ATOM 300 CZ PHE A 77 0.008 2.574 -0.609 1.00 0.00 C ATOM 0 H PHE A 77 -5.581 3.203 -4.140 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.089 4.391 -3.819 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.387 2.673 -2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.692 1.445 -3.364 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.373 4.608 -1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.865 0.420 -2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.396 4.655 -0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.160 0.493 -1.027 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.891 2.592 0.012 1.00 0.00 H new ATOM 310 N ILE A 78 -3.497 1.886 -5.960 1.00 0.00 N ATOM 311 CA ILE A 78 -2.968 1.045 -6.996 1.00 0.00 C ATOM 312 C ILE A 78 -2.396 1.867 -8.108 1.00 0.00 C ATOM 313 O ILE A 78 -1.357 1.516 -8.669 1.00 0.00 O ATOM 314 CB ILE A 78 -3.991 0.046 -7.513 1.00 0.00 C ATOM 315 CG1 ILE A 78 -3.497 -1.354 -7.122 1.00 0.00 C ATOM 316 CG2 ILE A 78 -4.274 0.129 -9.030 1.00 0.00 C ATOM 317 CD1 ILE A 78 -4.612 -2.392 -7.030 1.00 0.00 C ATOM 0 H ILE A 78 -4.492 1.732 -5.799 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.162 0.460 -6.554 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.951 0.284 -7.055 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.761 -1.688 -7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.987 -1.295 -6.161 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.016 -0.622 -9.303 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.654 1.121 -9.276 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.352 -0.053 -9.583 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.189 -3.357 -6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.337 -2.081 -6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.107 -2.480 -7.997 1.00 0.00 H new ATOM 329 N ASN A 79 -3.066 2.988 -8.444 1.00 0.00 N ATOM 330 CA ASN A 79 -2.677 3.758 -9.586 1.00 0.00 C ATOM 331 C ASN A 79 -1.496 4.569 -9.244 1.00 0.00 C ATOM 332 O ASN A 79 -0.578 4.763 -10.037 1.00 0.00 O ATOM 333 CB ASN A 79 -3.782 4.683 -10.134 1.00 0.00 C ATOM 334 CG ASN A 79 -4.134 6.007 -9.430 1.00 0.00 C ATOM 335 OD1 ASN A 79 -3.349 6.958 -9.401 1.00 0.00 O ATOM 336 ND2 ASN A 79 -5.416 6.088 -8.969 1.00 0.00 N ATOM 0 H ASN A 79 -3.867 3.357 -7.931 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.458 3.040 -10.377 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.511 4.930 -11.160 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.698 4.093 -10.180 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.763 6.964 -8.578 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.027 5.273 -9.015 1.00 0.00 H new ATOM 343 N GLY A 80 -1.547 5.054 -8.007 1.00 0.00 N ATOM 344 CA GLY A 80 -0.524 5.875 -7.427 1.00 0.00 C ATOM 345 C GLY A 80 0.746 5.121 -7.182 1.00 0.00 C ATOM 346 O GLY A 80 1.792 5.742 -7.005 1.00 0.00 O ATOM 0 H GLY A 80 -2.327 4.874 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.321 6.718 -8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.885 6.288 -6.485 1.00 0.00 H new ATOM 350 N LEU A 81 0.696 3.770 -7.143 1.00 0.00 N ATOM 351 CA LEU A 81 1.901 2.976 -7.109 1.00 0.00 C ATOM 352 C LEU A 81 2.688 3.152 -8.361 1.00 0.00 C ATOM 353 O LEU A 81 3.911 3.148 -8.324 1.00 0.00 O ATOM 354 CB LEU A 81 1.729 1.453 -7.031 1.00 0.00 C ATOM 355 CG LEU A 81 0.784 0.944 -5.935 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.730 -0.587 -5.946 1.00 0.00 C ATOM 357 CD2 LEU A 81 1.162 1.444 -4.535 1.00 0.00 C ATOM 0 H LEU A 81 -0.169 3.229 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 81 2.371 3.340 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.363 1.098 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.710 1.003 -6.877 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.201 1.351 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.055 -0.933 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.368 -0.931 -6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.728 -0.988 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.456 1.049 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.168 1.105 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.131 2.533 -4.517 1.00 0.00 H new ATOM 369 N LYS A 82 1.996 3.268 -9.513 1.00 0.00 N ATOM 370 CA LYS A 82 2.629 3.338 -10.798 1.00 0.00 C ATOM 371 C LYS A 82 3.155 4.728 -10.981 1.00 0.00 C ATOM 372 O LYS A 82 4.149 4.943 -11.673 1.00 0.00 O ATOM 373 CB LYS A 82 1.628 3.025 -11.927 1.00 0.00 C ATOM 374 CG LYS A 82 2.244 2.921 -13.329 1.00 0.00 C ATOM 375 CD LYS A 82 1.194 2.573 -14.392 1.00 0.00 C ATOM 376 CE LYS A 82 1.766 2.544 -15.810 1.00 0.00 C ATOM 377 NZ LYS A 82 0.697 2.240 -16.785 1.00 0.00 N ATOM 0 H LYS A 82 0.978 3.314 -9.552 1.00 0.00 H new ATOM 0 HA LYS A 82 3.433 2.603 -10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.126 2.086 -11.697 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.863 3.801 -11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.722 3.866 -13.587 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.024 2.160 -13.327 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.760 1.600 -14.161 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.385 3.302 -14.347 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.221 3.506 -16.046 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.554 1.794 -15.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.097 2.223 -17.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.282 1.312 -16.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.041 2.971 -16.731 1.00 0.00 H new ATOM 391 N LYS A 83 2.496 5.706 -10.325 1.00 0.00 N ATOM 392 CA LYS A 83 2.907 7.079 -10.359 1.00 0.00 C ATOM 393 C LYS A 83 4.151 7.235 -9.546 1.00 0.00 C ATOM 394 O LYS A 83 4.993 8.079 -9.850 1.00 0.00 O ATOM 395 CB LYS A 83 1.838 8.021 -9.780 1.00 0.00 C ATOM 396 CG LYS A 83 0.632 8.144 -10.718 1.00 0.00 C ATOM 397 CD LYS A 83 -0.456 9.085 -10.188 1.00 0.00 C ATOM 398 CE LYS A 83 -1.625 9.228 -11.168 1.00 0.00 C ATOM 399 NZ LYS A 83 -2.685 10.082 -10.590 1.00 0.00 N ATOM 0 H LYS A 83 1.663 5.539 -9.761 1.00 0.00 H new ATOM 0 HA LYS A 83 3.072 7.345 -11.403 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.509 7.648 -8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.272 9.007 -9.612 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.971 8.503 -11.689 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.202 7.155 -10.876 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.827 8.708 -9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.023 10.067 -9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.272 9.661 -12.104 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.031 8.245 -11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.540 9.512 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.357 10.479 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.905 10.856 -11.249 1.00 0.00 H new ATOM 413 N ALA A 84 4.297 6.399 -8.500 1.00 0.00 N ATOM 414 CA ALA A 84 5.473 6.382 -7.683 1.00 0.00 C ATOM 415 C ALA A 84 6.570 5.750 -8.483 1.00 0.00 C ATOM 416 O ALA A 84 7.705 6.224 -8.473 1.00 0.00 O ATOM 417 CB ALA A 84 5.273 5.583 -6.385 1.00 0.00 C ATOM 0 H ALA A 84 3.587 5.724 -8.217 1.00 0.00 H new ATOM 0 HA ALA A 84 5.714 7.406 -7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.193 5.601 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.466 6.029 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.018 4.552 -6.628 1.00 0.00 H new ATOM 423 N GLY A 85 6.232 4.666 -9.213 1.00 0.00 N ATOM 424 CA GLY A 85 7.149 3.976 -10.074 1.00 0.00 C ATOM 425 C GLY A 85 7.655 2.806 -9.308 1.00 0.00 C ATOM 426 O GLY A 85 8.782 2.354 -9.509 1.00 0.00 O ATOM 0 H GLY A 85 5.297 4.259 -9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.653 3.654 -10.990 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.970 4.630 -10.369 1.00 0.00 H new ATOM 430 N ILE A 86 6.813 2.314 -8.383 1.00 0.00 N ATOM 431 CA ILE A 86 7.161 1.303 -7.443 1.00 0.00 C ATOM 432 C ILE A 86 6.050 0.318 -7.618 1.00 0.00 C ATOM 433 O ILE A 86 4.948 0.558 -7.141 1.00 0.00 O ATOM 434 CB ILE A 86 7.130 1.872 -6.034 1.00 0.00 C ATOM 435 CG1 ILE A 86 8.128 3.044 -5.881 1.00 0.00 C ATOM 436 CG2 ILE A 86 7.406 0.762 -5.012 1.00 0.00 C ATOM 437 CD1 ILE A 86 8.056 3.710 -4.507 1.00 0.00 C ATOM 0 H ILE A 86 5.850 2.636 -8.289 1.00 0.00 H new ATOM 0 HA ILE A 86 8.156 0.883 -7.591 1.00 0.00 H new ATOM 0 HB ILE A 86 6.134 2.273 -5.843 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.140 2.677 -6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.927 3.789 -6.651 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.382 1.180 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.645 -0.013 -5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.388 0.329 -5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.779 4.525 -4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.053 4.105 -4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.285 2.976 -3.734 1.00 0.00 H new ATOM 449 N GLU A 87 6.294 -0.800 -8.336 1.00 0.00 N ATOM 450 CA GLU A 87 5.229 -1.716 -8.664 1.00 0.00 C ATOM 451 C GLU A 87 5.093 -2.704 -7.549 1.00 0.00 C ATOM 452 O GLU A 87 5.779 -3.725 -7.524 1.00 0.00 O ATOM 453 CB GLU A 87 5.483 -2.495 -9.967 1.00 0.00 C ATOM 454 CG GLU A 87 5.534 -1.578 -11.195 1.00 0.00 C ATOM 455 CD GLU A 87 5.741 -2.449 -12.425 1.00 0.00 C ATOM 456 OE1 GLU A 87 6.807 -3.118 -12.506 1.00 0.00 O ATOM 457 OE2 GLU A 87 4.838 -2.457 -13.302 1.00 0.00 O ATOM 0 H GLU A 87 7.213 -1.070 -8.686 1.00 0.00 H new ATOM 0 HA GLU A 87 4.325 -1.124 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.424 -3.040 -9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.696 -3.237 -10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.609 -1.008 -11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.345 -0.857 -11.098 1.00 0.00 H new ATOM 464 N LEU A 88 4.221 -2.370 -6.575 1.00 0.00 N ATOM 465 CA LEU A 88 4.188 -3.039 -5.308 1.00 0.00 C ATOM 466 C LEU A 88 2.785 -3.497 -5.010 1.00 0.00 C ATOM 467 O LEU A 88 1.943 -3.508 -5.907 1.00 0.00 O ATOM 468 CB LEU A 88 4.738 -2.073 -4.240 1.00 0.00 C ATOM 469 CG LEU A 88 5.947 -2.625 -3.447 1.00 0.00 C ATOM 470 CD1 LEU A 88 7.139 -3.046 -4.330 1.00 0.00 C ATOM 471 CD2 LEU A 88 6.417 -1.619 -2.380 1.00 0.00 C ATOM 0 H LEU A 88 3.530 -1.626 -6.669 1.00 0.00 H new ATOM 0 HA LEU A 88 4.813 -3.932 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.031 -1.142 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.939 -1.830 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 88 5.582 -3.532 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.945 -3.421 -3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.823 -3.829 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.493 -2.185 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.267 -2.034 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.713 -0.688 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.603 -1.422 -1.682 1.00 0.00 H new ATOM 483 N ASP A 89 2.540 -3.901 -3.733 1.00 0.00 N ATOM 484 CA ASP A 89 1.298 -4.394 -3.163 1.00 0.00 C ATOM 485 C ASP A 89 0.641 -5.375 -4.061 1.00 0.00 C ATOM 486 O ASP A 89 -0.563 -5.303 -4.296 1.00 0.00 O ATOM 487 CB ASP A 89 0.207 -3.355 -2.817 1.00 0.00 C ATOM 488 CG ASP A 89 0.699 -2.102 -2.102 1.00 0.00 C ATOM 489 OD1 ASP A 89 1.520 -1.338 -2.672 1.00 0.00 O ATOM 490 OD2 ASP A 89 0.204 -1.879 -0.965 1.00 0.00 O ATOM 0 H ASP A 89 3.282 -3.880 -3.034 1.00 0.00 H new ATOM 0 HA ASP A 89 1.654 -4.819 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.290 -3.055 -3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.545 -3.837 -2.192 1.00 0.00 H new ATOM 495 N ARG A 90 1.425 -6.316 -4.599 1.00 0.00 N ATOM 496 CA ARG A 90 0.927 -7.092 -5.685 1.00 0.00 C ATOM 497 C ARG A 90 0.513 -8.409 -5.148 1.00 0.00 C ATOM 498 O ARG A 90 -0.124 -9.170 -5.872 1.00 0.00 O ATOM 499 CB ARG A 90 1.989 -7.304 -6.785 1.00 0.00 C ATOM 500 CG ARG A 90 3.316 -7.886 -6.274 1.00 0.00 C ATOM 501 CD ARG A 90 4.366 -8.010 -7.379 1.00 0.00 C ATOM 502 NE ARG A 90 5.611 -8.539 -6.755 1.00 0.00 N ATOM 503 CZ ARG A 90 6.758 -8.667 -7.485 1.00 0.00 C ATOM 504 NH1 ARG A 90 6.776 -8.319 -8.806 1.00 0.00 N ATOM 505 NH2 ARG A 90 7.889 -9.144 -6.891 1.00 0.00 N ATOM 0 H ARG A 90 2.374 -6.537 -4.296 1.00 0.00 H new ATOM 0 HA ARG A 90 0.091 -6.561 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.581 -7.971 -7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.187 -6.349 -7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.705 -7.251 -5.478 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.134 -8.868 -5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.017 -8.679 -8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.551 -7.041 -7.843 1.00 0.00 H new ATOM 0 HE ARG A 90 5.607 -8.809 -5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.930 -7.962 -9.251 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.635 -8.416 -9.347 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.876 -9.404 -5.905 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.748 -9.241 -7.433 1.00 0.00 H new ATOM 519 N LYS A 91 0.873 -8.664 -3.864 1.00 0.00 N ATOM 520 CA LYS A 91 0.750 -9.867 -3.114 1.00 0.00 C ATOM 521 C LYS A 91 2.089 -9.896 -2.456 1.00 0.00 C ATOM 522 O LYS A 91 3.115 -9.810 -3.129 1.00 0.00 O ATOM 523 CB LYS A 91 0.548 -11.218 -3.849 1.00 0.00 C ATOM 524 CG LYS A 91 -0.925 -11.596 -4.084 1.00 0.00 C ATOM 525 CD LYS A 91 -1.099 -12.945 -4.790 1.00 0.00 C ATOM 526 CE LYS A 91 -2.574 -13.318 -4.963 1.00 0.00 C ATOM 527 NZ LYS A 91 -2.701 -14.615 -5.660 1.00 0.00 N ATOM 0 H LYS A 91 1.299 -7.929 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.161 -9.819 -2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.058 -11.175 -4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.026 -12.008 -3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.443 -11.626 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.402 -10.818 -4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.618 -12.907 -5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.594 -13.722 -4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.058 -13.373 -3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.088 -12.542 -5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.707 -14.853 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.257 -14.550 -6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.228 -15.356 -5.104 1.00 0.00 H new ATOM 541 N ILE A 92 2.072 -10.016 -1.107 1.00 0.00 N ATOM 542 CA ILE A 92 3.153 -10.433 -0.259 1.00 0.00 C ATOM 543 C ILE A 92 4.032 -9.236 -0.018 1.00 0.00 C ATOM 544 O ILE A 92 5.193 -9.318 0.375 1.00 0.00 O ATOM 545 CB ILE A 92 3.806 -11.708 -0.762 1.00 0.00 C ATOM 546 CG1 ILE A 92 2.715 -12.748 -1.143 1.00 0.00 C ATOM 547 CG2 ILE A 92 4.865 -12.263 0.215 1.00 0.00 C ATOM 548 CD1 ILE A 92 2.935 -14.184 -0.664 1.00 0.00 C ATOM 0 H ILE A 92 1.231 -9.803 -0.570 1.00 0.00 H new ATOM 0 HA ILE A 92 2.815 -10.752 0.727 1.00 0.00 H new ATOM 0 HB ILE A 92 4.367 -11.471 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.761 -12.400 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.623 -12.762 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.298 -13.175 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.651 -11.521 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.395 -12.485 1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.105 -14.809 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.866 -14.568 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.990 -14.200 0.424 1.00 0.00 H new ATOM 560 N LEU A 93 3.433 -8.051 -0.199 1.00 0.00 N ATOM 561 CA LEU A 93 3.883 -6.850 0.462 1.00 0.00 C ATOM 562 C LEU A 93 2.918 -6.648 1.515 1.00 0.00 C ATOM 563 O LEU A 93 3.198 -6.014 2.516 1.00 0.00 O ATOM 564 CB LEU A 93 3.636 -5.612 -0.359 1.00 0.00 C ATOM 565 CG LEU A 93 3.313 -4.222 0.272 1.00 0.00 C ATOM 566 CD1 LEU A 93 3.884 -3.073 -0.564 1.00 0.00 C ATOM 567 CD2 LEU A 93 1.846 -3.898 0.610 1.00 0.00 C ATOM 0 H LEU A 93 2.627 -7.913 -0.809 1.00 0.00 H new ATOM 0 HA LEU A 93 4.937 -6.969 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.521 -5.471 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.810 -5.846 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 93 3.806 -4.314 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.638 -2.122 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.967 -3.175 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.454 -3.103 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.784 -2.898 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.245 -3.940 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.469 -4.626 1.328 1.00 0.00 H new ATOM 579 N ALA A 94 1.712 -7.132 1.226 1.00 0.00 N ATOM 580 CA ALA A 94 0.536 -7.075 2.026 1.00 0.00 C ATOM 581 C ALA A 94 0.727 -7.741 3.327 1.00 0.00 C ATOM 582 O ALA A 94 -0.071 -7.548 4.239 1.00 0.00 O ATOM 583 CB ALA A 94 -0.568 -7.866 1.365 1.00 0.00 C ATOM 0 H ALA A 94 1.540 -7.613 0.343 1.00 0.00 H new ATOM 0 HA ALA A 94 0.302 -6.017 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.467 -7.820 1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.779 -7.445 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.256 -8.905 1.255 1.00 0.00 H new ATOM 589 N ASP A 95 1.800 -8.536 3.434 1.00 0.00 N ATOM 590 CA ASP A 95 2.261 -8.973 4.693 1.00 0.00 C ATOM 591 C ASP A 95 2.624 -7.779 5.483 1.00 0.00 C ATOM 592 O ASP A 95 2.102 -7.557 6.567 1.00 0.00 O ATOM 593 CB ASP A 95 3.460 -9.931 4.581 1.00 0.00 C ATOM 594 CG ASP A 95 4.836 -9.389 4.181 1.00 0.00 C ATOM 595 OD1 ASP A 95 4.969 -8.824 3.068 1.00 0.00 O ATOM 596 OD2 ASP A 95 5.775 -9.542 5.007 1.00 0.00 O ATOM 0 H ASP A 95 2.345 -8.873 2.641 1.00 0.00 H new ATOM 0 HA ASP A 95 1.467 -9.537 5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.573 -10.423 5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.193 -10.703 3.859 1.00 0.00 H new ATOM 601 N MET A 96 3.509 -6.953 4.924 1.00 0.00 N ATOM 602 CA MET A 96 4.031 -5.834 5.658 1.00 0.00 C ATOM 603 C MET A 96 2.929 -4.837 5.890 1.00 0.00 C ATOM 604 O MET A 96 2.966 -4.101 6.871 1.00 0.00 O ATOM 605 CB MET A 96 5.255 -5.164 4.994 1.00 0.00 C ATOM 606 CG MET A 96 5.282 -3.634 4.903 1.00 0.00 C ATOM 607 SD MET A 96 4.510 -2.927 3.434 1.00 0.00 S ATOM 608 CE MET A 96 6.059 -3.024 2.496 1.00 0.00 C ATOM 0 H MET A 96 3.868 -7.048 3.974 1.00 0.00 H new ATOM 0 HA MET A 96 4.399 -6.218 6.609 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.144 -5.481 5.539 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.343 -5.559 3.982 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.786 -3.227 5.784 1.00 0.00 H new ATOM 0 HG3 MET A 96 6.320 -3.304 4.941 1.00 0.00 H new ATOM 0 HE1 MET A 96 5.840 -3.003 1.428 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.694 -2.176 2.753 1.00 0.00 H new ATOM 0 HE3 MET A 96 6.576 -3.951 2.742 1.00 0.00 H new ATOM 618 N ALA A 97 1.900 -4.806 5.018 1.00 0.00 N ATOM 619 CA ALA A 97 0.865 -3.813 5.076 1.00 0.00 C ATOM 620 C ALA A 97 0.171 -3.793 6.397 1.00 0.00 C ATOM 621 O ALA A 97 -0.243 -2.733 6.862 1.00 0.00 O ATOM 622 CB ALA A 97 -0.224 -4.007 4.017 1.00 0.00 C ATOM 0 H ALA A 97 1.784 -5.480 4.261 1.00 0.00 H new ATOM 0 HA ALA A 97 1.394 -2.877 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.974 -3.222 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.222 -3.957 3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.696 -4.980 4.155 1.00 0.00 H new ATOM 628 N VAL A 98 0.044 -4.972 7.031 1.00 0.00 N ATOM 629 CA VAL A 98 -0.674 -5.099 8.256 1.00 0.00 C ATOM 630 C VAL A 98 0.328 -5.346 9.345 1.00 0.00 C ATOM 631 O VAL A 98 0.220 -4.798 10.441 1.00 0.00 O ATOM 632 CB VAL A 98 -1.603 -6.290 8.244 1.00 0.00 C ATOM 633 CG1 VAL A 98 -2.850 -5.940 9.072 1.00 0.00 C ATOM 634 CG2 VAL A 98 -1.922 -6.741 6.804 1.00 0.00 C ATOM 0 H VAL A 98 0.444 -5.845 6.688 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.259 -4.191 8.405 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.123 -7.153 8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.534 -6.788 9.076 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.554 -5.708 10.095 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.347 -5.075 8.633 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.593 -7.600 6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.401 -5.924 6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.998 -7.019 6.297 1.00 0.00 H new ATOM 644 N ARG A 99 1.309 -6.225 9.054 1.00 0.00 N ATOM 645 CA ARG A 99 2.059 -6.929 10.057 1.00 0.00 C ATOM 646 C ARG A 99 3.343 -6.199 10.353 1.00 0.00 C ATOM 647 O ARG A 99 3.908 -6.376 11.431 1.00 0.00 O ATOM 648 CB ARG A 99 2.361 -8.392 9.623 1.00 0.00 C ATOM 649 CG ARG A 99 1.080 -9.221 9.352 1.00 0.00 C ATOM 650 CD ARG A 99 1.091 -10.113 8.096 1.00 0.00 C ATOM 651 NE ARG A 99 1.626 -11.458 8.449 1.00 0.00 N ATOM 652 CZ ARG A 99 1.695 -12.434 7.497 1.00 0.00 C ATOM 653 NH1 ARG A 99 1.272 -12.182 6.224 1.00 0.00 N ATOM 654 NH2 ARG A 99 2.189 -13.666 7.816 1.00 0.00 N ATOM 0 H ARG A 99 1.588 -6.452 8.100 1.00 0.00 H new ATOM 0 HA ARG A 99 1.452 -6.969 10.961 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.975 -8.378 8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.946 -8.882 10.401 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.894 -9.855 10.219 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.238 -8.533 9.274 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.082 -10.205 7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.705 -9.658 7.319 1.00 0.00 H new ATOM 0 HE ARG A 99 1.940 -11.649 9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.903 -11.262 5.982 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.325 -12.913 5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.507 -13.858 8.766 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.240 -14.395 7.104 1.00 0.00 H new ATOM 668 N ASP A 100 3.818 -5.343 9.415 1.00 0.00 N ATOM 669 CA ASP A 100 4.953 -4.479 9.607 1.00 0.00 C ATOM 670 C ASP A 100 4.552 -3.051 9.321 1.00 0.00 C ATOM 671 O ASP A 100 4.834 -2.559 8.235 1.00 0.00 O ATOM 672 CB ASP A 100 6.089 -4.839 8.636 1.00 0.00 C ATOM 673 CG ASP A 100 7.435 -4.294 9.105 1.00 0.00 C ATOM 674 OD1 ASP A 100 7.489 -3.622 10.170 1.00 0.00 O ATOM 675 OD2 ASP A 100 8.439 -4.545 8.386 1.00 0.00 O ATOM 0 H ASP A 100 3.396 -5.251 8.491 1.00 0.00 H new ATOM 0 HA ASP A 100 5.293 -4.599 10.636 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.151 -5.923 8.536 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.861 -4.441 7.647 1.00 0.00 H new ATOM 680 N PRO A 101 3.918 -2.331 10.211 1.00 0.00 N ATOM 681 CA PRO A 101 3.343 -1.044 9.912 1.00 0.00 C ATOM 682 C PRO A 101 4.410 0.010 9.825 1.00 0.00 C ATOM 683 O PRO A 101 4.086 1.131 9.442 1.00 0.00 O ATOM 684 CB PRO A 101 2.380 -0.750 11.067 1.00 0.00 C ATOM 685 CG PRO A 101 2.764 -1.738 12.174 1.00 0.00 C ATOM 686 CD PRO A 101 3.384 -2.904 11.415 1.00 0.00 C ATOM 0 HA PRO A 101 2.831 -1.044 8.950 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.478 0.281 11.408 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.343 -0.887 10.760 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.470 -1.297 12.878 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.894 -2.052 12.750 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.166 -3.384 12.003 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.639 -3.668 11.191 1.00 0.00 H new ATOM 694 N GLN A 102 5.673 -0.318 10.165 1.00 0.00 N ATOM 695 CA GLN A 102 6.763 0.602 10.041 1.00 0.00 C ATOM 696 C GLN A 102 7.060 0.755 8.581 1.00 0.00 C ATOM 697 O GLN A 102 7.123 1.871 8.068 1.00 0.00 O ATOM 698 CB GLN A 102 8.032 0.090 10.750 1.00 0.00 C ATOM 699 CG GLN A 102 9.194 1.089 10.732 1.00 0.00 C ATOM 700 CD GLN A 102 10.365 0.464 11.488 1.00 0.00 C ATOM 701 OE1 GLN A 102 10.911 -0.567 11.077 1.00 0.00 O ATOM 702 NE2 GLN A 102 10.752 1.120 12.624 1.00 0.00 N ATOM 0 H GLN A 102 5.940 -1.232 10.530 1.00 0.00 H new ATOM 0 HA GLN A 102 6.481 1.547 10.505 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.787 -0.150 11.785 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.354 -0.837 10.275 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.482 1.320 9.706 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.897 2.028 11.199 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.264 1.967 12.915 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.529 0.762 13.180 1.00 0.00 H new ATOM 711 N ALA A 103 7.243 -0.385 7.884 1.00 0.00 N ATOM 712 CA ALA A 103 7.613 -0.398 6.499 1.00 0.00 C ATOM 713 C ALA A 103 6.400 -0.124 5.664 1.00 0.00 C ATOM 714 O ALA A 103 6.506 0.487 4.597 1.00 0.00 O ATOM 715 CB ALA A 103 8.219 -1.743 6.084 1.00 0.00 C ATOM 0 H ALA A 103 7.132 -1.314 8.290 1.00 0.00 H new ATOM 0 HA ALA A 103 8.368 0.372 6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.486 -1.711 5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.112 -1.939 6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.491 -2.537 6.251 1.00 0.00 H new ATOM 721 N PHE A 104 5.210 -0.551 6.146 1.00 0.00 N ATOM 722 CA PHE A 104 3.985 -0.089 5.535 1.00 0.00 C ATOM 723 C PHE A 104 3.916 1.403 5.414 1.00 0.00 C ATOM 724 O PHE A 104 3.573 1.899 4.345 1.00 0.00 O ATOM 725 CB PHE A 104 2.709 -0.522 6.269 1.00 0.00 C ATOM 726 CG PHE A 104 1.492 -0.146 5.484 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.365 -0.453 4.138 1.00 0.00 C ATOM 728 CD2 PHE A 104 0.440 0.481 6.126 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.210 -0.151 3.449 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.715 0.788 5.440 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.833 0.471 4.101 1.00 0.00 C ATOM 0 H PHE A 104 5.093 -1.193 6.930 1.00 0.00 H new ATOM 0 HA PHE A 104 4.021 -0.560 4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 104 2.725 -1.600 6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.673 -0.053 7.252 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.182 -0.935 3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.524 0.732 7.173 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.123 -0.401 2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.531 1.278 5.951 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.740 0.710 3.566 1.00 0.00 H new ATOM 741 N GLU A 105 4.252 2.160 6.482 1.00 0.00 N ATOM 742 CA GLU A 105 4.171 3.597 6.432 1.00 0.00 C ATOM 743 C GLU A 105 5.168 4.206 5.489 1.00 0.00 C ATOM 744 O GLU A 105 4.977 5.343 5.068 1.00 0.00 O ATOM 745 CB GLU A 105 4.394 4.268 7.797 1.00 0.00 C ATOM 746 CG GLU A 105 3.145 4.232 8.683 1.00 0.00 C ATOM 747 CD GLU A 105 3.491 4.902 10.004 1.00 0.00 C ATOM 748 OE1 GLU A 105 4.393 4.383 10.714 1.00 0.00 O ATOM 749 OE2 GLU A 105 2.857 5.944 10.321 1.00 0.00 O ATOM 0 H GLU A 105 4.577 1.783 7.372 1.00 0.00 H new ATOM 0 HA GLU A 105 3.154 3.780 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.215 3.770 8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.696 5.304 7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.318 4.750 8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.824 3.204 8.849 1.00 0.00 H new ATOM 756 N GLN A 106 6.243 3.478 5.122 1.00 0.00 N ATOM 757 CA GLN A 106 7.204 3.974 4.175 1.00 0.00 C ATOM 758 C GLN A 106 6.640 3.924 2.792 1.00 0.00 C ATOM 759 O GLN A 106 6.817 4.863 2.019 1.00 0.00 O ATOM 760 CB GLN A 106 8.485 3.126 4.104 1.00 0.00 C ATOM 761 CG GLN A 106 9.337 3.176 5.377 1.00 0.00 C ATOM 762 CD GLN A 106 9.798 4.612 5.627 1.00 0.00 C ATOM 763 OE1 GLN A 106 9.339 5.271 6.569 1.00 0.00 O ATOM 764 NE2 GLN A 106 10.732 5.094 4.753 1.00 0.00 N ATOM 0 H GLN A 106 6.448 2.545 5.480 1.00 0.00 H new ATOM 0 HA GLN A 106 7.435 4.984 4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.212 2.090 3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.088 3.467 3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.760 2.815 6.228 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.200 2.518 5.275 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.074 4.503 3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.087 6.044 4.859 1.00 0.00 H new ATOM 773 N VAL A 107 5.956 2.814 2.451 1.00 0.00 N ATOM 774 CA VAL A 107 5.430 2.628 1.116 1.00 0.00 C ATOM 775 C VAL A 107 4.348 3.636 0.899 1.00 0.00 C ATOM 776 O VAL A 107 4.242 4.245 -0.166 1.00 0.00 O ATOM 777 CB VAL A 107 4.857 1.242 0.889 1.00 0.00 C ATOM 778 CG1 VAL A 107 4.161 1.151 -0.487 1.00 0.00 C ATOM 779 CG2 VAL A 107 6.022 0.243 0.974 1.00 0.00 C ATOM 0 H VAL A 107 5.764 2.044 3.091 1.00 0.00 H new ATOM 0 HA VAL A 107 6.255 2.752 0.414 1.00 0.00 H new ATOM 0 HB VAL A 107 4.103 1.017 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.759 0.148 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.349 1.877 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.883 1.364 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.647 -0.768 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.761 0.480 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.485 0.307 1.958 1.00 0.00 H new ATOM 789 N VAL A 108 3.537 3.837 1.949 1.00 0.00 N ATOM 790 CA VAL A 108 2.445 4.756 1.966 1.00 0.00 C ATOM 791 C VAL A 108 2.954 6.145 1.787 1.00 0.00 C ATOM 792 O VAL A 108 2.320 6.921 1.086 1.00 0.00 O ATOM 793 CB VAL A 108 1.707 4.637 3.276 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.818 5.856 3.554 1.00 0.00 C ATOM 795 CG2 VAL A 108 0.888 3.342 3.209 1.00 0.00 C ATOM 0 H VAL A 108 3.648 3.334 2.829 1.00 0.00 H new ATOM 0 HA VAL A 108 1.761 4.524 1.150 1.00 0.00 H new ATOM 0 HB VAL A 108 2.414 4.604 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.307 5.724 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.434 6.754 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.080 5.957 2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.335 3.213 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.188 3.397 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.558 2.495 3.065 1.00 0.00 H new ATOM 805 N ASN A 109 4.104 6.484 2.402 1.00 0.00 N ATOM 806 CA ASN A 109 4.677 7.806 2.330 1.00 0.00 C ATOM 807 C ASN A 109 5.073 8.132 0.920 1.00 0.00 C ATOM 808 O ASN A 109 4.891 9.260 0.463 1.00 0.00 O ATOM 809 CB ASN A 109 5.935 7.946 3.212 1.00 0.00 C ATOM 810 CG ASN A 109 6.484 9.371 3.125 1.00 0.00 C ATOM 811 OD1 ASN A 109 5.858 10.328 3.596 1.00 0.00 O ATOM 812 ND2 ASN A 109 7.700 9.493 2.507 1.00 0.00 N ATOM 0 H ASN A 109 4.651 5.830 2.962 1.00 0.00 H new ATOM 0 HA ASN A 109 3.909 8.491 2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.692 7.705 4.247 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.696 7.235 2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.136 10.411 2.416 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.169 8.666 2.137 1.00 0.00 H new ATOM 819 N LYS A 110 5.628 7.142 0.196 1.00 0.00 N ATOM 820 CA LYS A 110 6.098 7.345 -1.148 1.00 0.00 C ATOM 821 C LYS A 110 4.949 7.526 -2.100 1.00 0.00 C ATOM 822 O LYS A 110 5.060 8.277 -3.064 1.00 0.00 O ATOM 823 CB LYS A 110 6.933 6.155 -1.648 1.00 0.00 C ATOM 824 CG LYS A 110 8.233 5.978 -0.849 1.00 0.00 C ATOM 825 CD LYS A 110 8.925 4.637 -1.117 1.00 0.00 C ATOM 826 CE LYS A 110 10.044 4.326 -0.118 1.00 0.00 C ATOM 827 NZ LYS A 110 11.094 5.365 -0.174 1.00 0.00 N ATOM 0 H LYS A 110 5.754 6.191 0.542 1.00 0.00 H new ATOM 0 HA LYS A 110 6.717 8.242 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.340 5.243 -1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.173 6.300 -2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.918 6.789 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.012 6.060 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.183 3.839 -1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.338 4.644 -2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.634 4.270 0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.477 3.351 -0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.891 5.087 0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.426 5.470 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.705 6.270 0.159 1.00 0.00 H new ATOM 841 N VAL A 111 3.819 6.836 -1.850 1.00 0.00 N ATOM 842 CA VAL A 111 2.644 6.896 -2.684 1.00 0.00 C ATOM 843 C VAL A 111 1.788 8.042 -2.243 1.00 0.00 C ATOM 844 O VAL A 111 0.862 8.435 -2.940 1.00 0.00 O ATOM 845 CB VAL A 111 1.925 5.556 -2.659 1.00 0.00 C ATOM 846 CG1 VAL A 111 0.597 5.569 -3.434 1.00 0.00 C ATOM 847 CG2 VAL A 111 2.843 4.526 -3.337 1.00 0.00 C ATOM 0 H VAL A 111 3.714 6.217 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 111 2.913 7.080 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 111 1.702 5.319 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.133 4.584 -3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.072 6.310 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.787 5.822 -4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.357 3.550 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.039 4.834 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.784 4.463 -2.791 1.00 0.00 H new ATOM 857 N LYS A 112 2.097 8.657 -1.096 1.00 0.00 N ATOM 858 CA LYS A 112 1.326 9.762 -0.620 1.00 0.00 C ATOM 859 C LYS A 112 1.783 10.974 -1.348 1.00 0.00 C ATOM 860 O LYS A 112 0.970 11.825 -1.682 1.00 0.00 O ATOM 861 CB LYS A 112 1.465 9.924 0.915 1.00 0.00 C ATOM 862 CG LYS A 112 0.926 11.212 1.563 1.00 0.00 C ATOM 863 CD LYS A 112 1.916 12.390 1.648 1.00 0.00 C ATOM 864 CE LYS A 112 3.184 12.106 2.460 1.00 0.00 C ATOM 865 NZ LYS A 112 4.036 13.313 2.508 1.00 0.00 N ATOM 0 H LYS A 112 2.878 8.393 -0.496 1.00 0.00 H new ATOM 0 HA LYS A 112 0.266 9.596 -0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.962 9.079 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 112 2.523 9.844 1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.050 11.539 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.588 10.974 2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.205 12.677 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.404 13.246 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.917 11.799 3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.735 11.280 2.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.893 13.111 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.304 13.588 1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.511 14.091 2.956 1.00 0.00 H new ATOM 879 N GLU A 113 3.088 11.092 -1.634 1.00 0.00 N ATOM 880 CA GLU A 113 3.550 12.269 -2.305 1.00 0.00 C ATOM 881 C GLU A 113 3.283 12.140 -3.751 1.00 0.00 C ATOM 882 O GLU A 113 2.876 13.084 -4.421 1.00 0.00 O ATOM 883 CB GLU A 113 5.049 12.508 -2.112 1.00 0.00 C ATOM 884 CG GLU A 113 6.035 11.381 -2.460 1.00 0.00 C ATOM 885 CD GLU A 113 7.419 11.783 -1.968 1.00 0.00 C ATOM 886 OE1 GLU A 113 7.586 11.937 -0.729 1.00 0.00 O ATOM 887 OE2 GLU A 113 8.329 11.933 -2.825 1.00 0.00 O ATOM 0 H GLU A 113 3.805 10.401 -1.412 1.00 0.00 H new ATOM 0 HA GLU A 113 3.015 13.115 -1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 113 5.322 13.379 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 113 5.208 12.773 -1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 113 5.723 10.447 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 113 6.050 11.210 -3.536 1.00 0.00 H new ATOM 894 N ALA A 114 3.538 10.925 -4.230 1.00 0.00 N ATOM 895 CA ALA A 114 3.452 10.577 -5.621 1.00 0.00 C ATOM 896 C ALA A 114 2.044 10.660 -6.106 1.00 0.00 C ATOM 897 O ALA A 114 1.814 11.061 -7.245 1.00 0.00 O ATOM 898 CB ALA A 114 3.922 9.151 -5.927 1.00 0.00 C ATOM 0 H ALA A 114 3.816 10.145 -3.635 1.00 0.00 H new ATOM 0 HA ALA A 114 4.105 11.292 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.829 8.959 -6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.964 9.039 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.308 8.439 -5.375 1.00 0.00 H new ATOM 904 N LEU A 115 1.073 10.276 -5.256 1.00 0.00 N ATOM 905 CA LEU A 115 -0.303 10.326 -5.655 1.00 0.00 C ATOM 906 C LEU A 115 -0.889 11.553 -5.070 1.00 0.00 C ATOM 907 O LEU A 115 -1.264 12.481 -5.781 1.00 0.00 O ATOM 908 CB LEU A 115 -1.156 9.135 -5.174 1.00 0.00 C ATOM 909 CG LEU A 115 -2.641 9.271 -5.564 1.00 0.00 C ATOM 910 CD1 LEU A 115 -2.877 9.057 -7.064 1.00 0.00 C ATOM 911 CD2 LEU A 115 -3.518 8.329 -4.722 1.00 0.00 C ATOM 0 H LEU A 115 1.235 9.936 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.315 10.302 -6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.757 8.213 -5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.075 9.050 -4.090 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.934 10.298 -5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.939 9.164 -7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.313 9.798 -7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.547 8.057 -7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.561 8.444 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.206 7.298 -4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.409 8.577 -3.666 1.00 0.00 H new ATOM 923 N GLN A 116 -1.075 11.500 -3.746 1.00 0.00 N ATOM 924 CA GLN A 116 -2.224 12.141 -3.172 1.00 0.00 C ATOM 925 C GLN A 116 -2.000 13.612 -3.080 1.00 0.00 C ATOM 926 O GLN A 116 -2.909 14.408 -3.307 1.00 0.00 O ATOM 927 CB GLN A 116 -2.567 11.517 -1.803 1.00 0.00 C ATOM 928 CG GLN A 116 -3.958 11.862 -1.254 1.00 0.00 C ATOM 929 CD GLN A 116 -3.866 13.017 -0.255 1.00 0.00 C ATOM 930 OE1 GLN A 116 -3.234 12.890 0.801 1.00 0.00 O ATOM 931 NE2 GLN A 116 -4.540 14.155 -0.599 1.00 0.00 N ATOM 0 H GLN A 116 -0.456 11.031 -3.084 1.00 0.00 H new ATOM 0 HA GLN A 116 -3.085 11.980 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -2.486 10.433 -1.886 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -1.819 11.838 -1.078 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -4.622 12.134 -2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -4.392 10.987 -0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -5.044 14.201 -1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -4.539 14.958 0.030 1.00 0.00 H new ATOM 940 N VAL A 117 -0.755 13.990 -2.752 1.00 0.00 N ATOM 941 CA VAL A 117 -0.420 15.321 -2.354 1.00 0.00 C ATOM 942 C VAL A 117 0.342 15.918 -3.491 1.00 0.00 C ATOM 943 O VAL A 117 0.728 17.087 -3.455 1.00 0.00 O ATOM 944 CB VAL A 117 0.383 15.275 -1.073 1.00 0.00 C ATOM 945 CG1 VAL A 117 0.607 16.683 -0.497 1.00 0.00 C ATOM 946 CG2 VAL A 117 -0.444 14.416 -0.101 1.00 0.00 C ATOM 0 H VAL A 117 0.042 13.354 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.298 15.932 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 117 1.375 14.858 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.187 16.612 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.149 17.291 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.356 17.146 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.079 14.339 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.418 14.880 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.580 13.420 -0.522 1.00 0.00 H new ATOM 956 N GLN A 118 0.535 15.115 -4.558 1.00 0.00 N ATOM 957 CA GLN A 118 1.193 15.594 -5.753 1.00 0.00 C ATOM 958 C GLN A 118 0.532 16.870 -6.287 1.00 0.00 C ATOM 959 O GLN A 118 -0.712 17.022 -6.142 1.00 0.00 O ATOM 960 CB GLN A 118 1.275 14.575 -6.917 1.00 0.00 C ATOM 961 CG GLN A 118 0.078 14.573 -7.880 1.00 0.00 C ATOM 962 CD GLN A 118 0.232 13.413 -8.862 1.00 0.00 C ATOM 963 OE1 GLN A 118 1.266 13.265 -9.524 1.00 0.00 O ATOM 964 NE2 GLN A 118 -0.848 12.579 -8.953 1.00 0.00 N ATOM 965 OXT GLN A 118 1.281 17.718 -6.843 1.00 0.00 O ATOM 0 H GLN A 118 0.240 14.140 -4.600 1.00 0.00 H new ATOM 0 HA GLN A 118 2.213 15.786 -5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.180 14.777 -7.490 1.00 0.00 H new ATOM 0 HB3 GLN A 118 1.381 13.576 -6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -0.853 14.473 -7.323 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.027 15.519 -8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -1.675 12.751 -8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.827 11.785 -9.593 1.00 0.00 H new TER 974 GLN A 118