USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 139 HIS : no HD1:sc= -0.384 K(o=-3.5,f=-1.4) USER MOD Set 1.2: A 141 ASN : amide:sc= -3.14! K(o=-3.5!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0372 USER MOD Single : A 145 GLN : amide:sc= -8.7! C(o=-8.7!,f=-8.7!) USER MOD Single : A 147 ASN : amide:sc= 0.514 K(o=0.51,f=-0.7) USER MOD Single : A 149 TYR OH : rot -96:sc= 0.0301 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.35! C(o=-8.4!,f=-9.8!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 143:sc= -3.18! (180deg=-5.55!) USER MOD Single : A 159 GLN : amide:sc= -0.0744 X(o=-0.074,f=-0.055) USER MOD Single : A 161 LYS NZ :NH3+ -150:sc= -0.186 (180deg=-0.917) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 SER OG : rot 180:sc= -0.64 USER MOD Single : A 166 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0744) USER MOD Single : A 168 ASN : amide:sc= -0.0876 X(o=-0.088,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 MET CE :methyl 163:sc= -0.909 (180deg=-1.55!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -172:sc= -0.0101 (180deg=-0.0952) USER MOD Single : A 188 THR OG1 : rot 180:sc= -0.59 USER MOD Single : A 197 ASN : amide:sc= -0.0861 K(o=-0.086,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 133 19.565 -0.315 4.845 1.00 0.00 N ATOM 2 CA GLU A 133 19.579 -0.352 3.355 1.00 0.00 C ATOM 3 C GLU A 133 18.731 -1.523 2.870 1.00 0.00 C ATOM 4 O GLU A 133 19.259 -2.562 2.476 1.00 0.00 O ATOM 5 CB GLU A 133 21.020 -0.511 2.865 1.00 0.00 C ATOM 6 CG GLU A 133 21.861 0.665 3.366 1.00 0.00 C ATOM 7 CD GLU A 133 23.299 0.521 2.879 1.00 0.00 C ATOM 8 OE1 GLU A 133 23.521 0.685 1.691 1.00 0.00 O ATOM 9 OE2 GLU A 133 24.158 0.248 3.703 1.00 0.00 O ATOM 0 HA GLU A 133 19.167 0.576 2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 133 21.437 -1.451 3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 133 21.043 -0.551 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 133 21.439 1.604 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 133 21.839 0.701 4.455 1.00 0.00 H new ATOM 18 N ALA A 134 17.415 -1.347 2.902 1.00 0.00 N ATOM 19 CA ALA A 134 16.503 -2.396 2.463 1.00 0.00 C ATOM 20 C ALA A 134 15.073 -1.868 2.390 1.00 0.00 C ATOM 21 O ALA A 134 14.757 -0.826 2.965 1.00 0.00 O ATOM 22 CB ALA A 134 16.562 -3.579 3.430 1.00 0.00 C ATOM 0 H ALA A 134 16.958 -0.494 3.225 1.00 0.00 H new ATOM 0 HA ALA A 134 16.809 -2.723 1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.877 -4.358 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.577 -3.975 3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.274 -3.248 4.428 1.00 0.00 H new ATOM 28 N CYS A 135 14.214 -2.592 1.682 1.00 0.00 N ATOM 29 CA CYS A 135 12.822 -2.185 1.542 1.00 0.00 C ATOM 30 C CYS A 135 12.132 -2.166 2.903 1.00 0.00 C ATOM 31 O CYS A 135 12.533 -2.878 3.821 1.00 0.00 O ATOM 32 CB CYS A 135 12.092 -3.142 0.595 1.00 0.00 C ATOM 33 SG CYS A 135 12.701 -2.887 -1.093 1.00 0.00 S ATOM 0 H CYS A 135 14.455 -3.458 1.199 1.00 0.00 H new ATOM 0 HA CYS A 135 12.792 -1.178 1.125 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.258 -4.174 0.903 1.00 0.00 H new ATOM 0 HB3 CYS A 135 11.017 -2.966 0.637 1.00 0.00 H new ATOM 38 N GLN A 136 11.092 -1.337 3.026 1.00 0.00 N ATOM 39 CA GLN A 136 10.345 -1.218 4.281 1.00 0.00 C ATOM 40 C GLN A 136 8.878 -1.548 4.053 1.00 0.00 C ATOM 41 O GLN A 136 8.359 -1.374 2.951 1.00 0.00 O ATOM 42 CB GLN A 136 10.468 0.208 4.821 1.00 0.00 C ATOM 43 CG GLN A 136 11.919 0.482 5.219 1.00 0.00 C ATOM 44 CD GLN A 136 12.066 1.918 5.707 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.363 2.337 6.626 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.942 2.703 5.144 1.00 0.00 N ATOM 0 H GLN A 136 10.749 -0.740 2.274 1.00 0.00 H new ATOM 0 HA GLN A 136 10.760 -1.920 5.004 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.147 0.923 4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.813 0.339 5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.226 -0.210 6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.577 0.310 4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.524 2.354 4.382 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.045 3.666 5.465 1.00 0.00 H new ATOM 55 N PHE A 137 8.208 -2.034 5.097 1.00 0.00 N ATOM 56 CA PHE A 137 6.792 -2.398 4.998 1.00 0.00 C ATOM 57 C PHE A 137 5.922 -1.396 5.756 1.00 0.00 C ATOM 58 O PHE A 137 6.261 -0.968 6.859 1.00 0.00 O ATOM 59 CB PHE A 137 6.585 -3.808 5.569 1.00 0.00 C ATOM 60 CG PHE A 137 5.104 -4.113 5.695 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.269 -4.014 4.574 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.567 -4.490 6.934 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.907 -4.290 4.690 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.200 -4.768 7.048 1.00 0.00 C ATOM 65 CZ PHE A 137 2.369 -4.669 5.927 1.00 0.00 C ATOM 0 H PHE A 137 8.619 -2.185 6.018 1.00 0.00 H new ATOM 0 HA PHE A 137 6.498 -2.382 3.949 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.061 -4.544 4.921 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.064 -3.886 6.545 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.681 -3.724 3.619 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.208 -4.566 7.800 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.266 -4.211 3.825 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.786 -5.059 8.002 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.314 -4.884 6.015 1.00 0.00 H new ATOM 75 N SER A 138 4.793 -1.028 5.148 1.00 0.00 N ATOM 76 CA SER A 138 3.864 -0.079 5.756 1.00 0.00 C ATOM 77 C SER A 138 2.431 -0.397 5.333 1.00 0.00 C ATOM 78 O SER A 138 2.169 -0.690 4.167 1.00 0.00 O ATOM 79 CB SER A 138 4.223 1.343 5.330 1.00 0.00 C ATOM 80 OG SER A 138 3.596 2.269 6.206 1.00 0.00 O ATOM 0 H SER A 138 4.501 -1.374 4.234 1.00 0.00 H new ATOM 0 HA SER A 138 3.939 -0.161 6.840 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.304 1.479 5.352 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.900 1.520 4.304 1.00 0.00 H new ATOM 0 HG SER A 138 3.826 3.182 5.936 1.00 0.00 H new ATOM 86 N HIS A 139 1.505 -0.338 6.291 1.00 0.00 N ATOM 87 CA HIS A 139 0.092 -0.625 6.018 1.00 0.00 C ATOM 88 C HIS A 139 -0.810 0.438 6.642 1.00 0.00 C ATOM 89 O HIS A 139 -0.402 1.162 7.548 1.00 0.00 O ATOM 90 CB HIS A 139 -0.284 -2.001 6.574 1.00 0.00 C ATOM 91 CG HIS A 139 -0.222 -1.974 8.076 1.00 0.00 C ATOM 92 ND1 HIS A 139 0.910 -2.353 8.778 1.00 0.00 N ATOM 93 CD2 HIS A 139 -1.148 -1.614 9.022 1.00 0.00 C ATOM 94 CE1 HIS A 139 0.639 -2.212 10.090 1.00 0.00 C ATOM 95 NE2 HIS A 139 -0.602 -1.764 10.294 1.00 0.00 N ATOM 0 H HIS A 139 1.705 -0.095 7.261 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.051 -0.617 4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.287 -2.275 6.247 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.396 -2.759 6.186 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -2.149 -1.267 8.812 1.00 0.00 H new ATOM 0 HE1 HIS A 139 1.340 -2.434 10.881 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -1.053 -1.573 11.189 1.00 0.00 H new ATOM 104 N VAL A 140 -2.043 0.519 6.140 1.00 0.00 N ATOM 105 CA VAL A 140 -3.020 1.493 6.637 1.00 0.00 C ATOM 106 C VAL A 140 -4.382 0.819 6.813 1.00 0.00 C ATOM 107 O VAL A 140 -5.001 0.397 5.839 1.00 0.00 O ATOM 108 CB VAL A 140 -3.128 2.654 5.635 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.331 3.540 5.971 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.853 3.496 5.701 1.00 0.00 C ATOM 0 H VAL A 140 -2.390 -0.078 5.389 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.695 1.879 7.603 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.258 2.244 4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.393 4.357 5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.244 2.946 5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.213 3.948 6.975 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.925 4.321 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.731 3.893 6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.993 2.875 5.449 1.00 0.00 H new ATOM 120 N ASN A 141 -4.844 0.715 8.062 1.00 0.00 N ATOM 121 CA ASN A 141 -6.134 0.075 8.342 1.00 0.00 C ATOM 122 C ASN A 141 -6.808 0.691 9.573 1.00 0.00 C ATOM 123 O ASN A 141 -6.225 0.730 10.656 1.00 0.00 O ATOM 124 CB ASN A 141 -5.926 -1.427 8.572 1.00 0.00 C ATOM 125 CG ASN A 141 -5.267 -1.677 9.926 1.00 0.00 C ATOM 126 OD1 ASN A 141 -4.062 -1.913 9.998 1.00 0.00 O ATOM 127 ND2 ASN A 141 -5.993 -1.646 11.009 1.00 0.00 N ATOM 0 H ASN A 141 -4.352 1.060 8.886 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.784 0.234 7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.885 -1.943 8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.304 -1.839 7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -5.562 -1.818 11.917 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.992 -1.450 10.948 1.00 0.00 H new ATOM 134 N SER A 142 -8.053 1.147 9.403 1.00 0.00 N ATOM 135 CA SER A 142 -8.818 1.732 10.511 1.00 0.00 C ATOM 136 C SER A 142 -10.271 1.269 10.444 1.00 0.00 C ATOM 137 O SER A 142 -10.647 0.502 9.558 1.00 0.00 O ATOM 138 CB SER A 142 -8.754 3.264 10.472 1.00 0.00 C ATOM 139 OG SER A 142 -9.029 3.772 11.771 1.00 0.00 O ATOM 0 H SER A 142 -8.552 1.123 8.513 1.00 0.00 H new ATOM 0 HA SER A 142 -8.376 1.394 11.448 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.769 3.591 10.141 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.477 3.653 9.755 1.00 0.00 H new ATOM 0 HG SER A 142 -8.988 4.751 11.755 1.00 0.00 H new ATOM 145 N ARG A 143 -11.080 1.732 11.389 1.00 0.00 N ATOM 146 CA ARG A 143 -12.488 1.353 11.430 1.00 0.00 C ATOM 147 C ARG A 143 -13.286 2.045 10.326 1.00 0.00 C ATOM 148 O ARG A 143 -14.189 1.450 9.736 1.00 0.00 O ATOM 149 CB ARG A 143 -13.085 1.719 12.795 1.00 0.00 C ATOM 150 CG ARG A 143 -14.461 1.047 12.976 1.00 0.00 C ATOM 151 CD ARG A 143 -14.294 -0.376 13.526 1.00 0.00 C ATOM 152 NE ARG A 143 -15.598 -0.960 13.812 1.00 0.00 N ATOM 153 CZ ARG A 143 -16.286 -0.612 14.895 1.00 0.00 C ATOM 154 NH1 ARG A 143 -15.795 0.267 15.726 1.00 0.00 N ATOM 155 NH2 ARG A 143 -17.451 -1.151 15.129 1.00 0.00 N ATOM 0 H ARG A 143 -10.789 2.366 12.133 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.549 0.276 11.273 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -12.411 1.402 13.591 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -13.188 2.801 12.876 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -15.074 1.637 13.657 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -14.986 1.015 12.021 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -13.761 -0.993 12.803 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -13.690 -0.355 14.433 1.00 0.00 H new ATOM 0 HE ARG A 143 -15.990 -1.648 13.170 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -14.883 0.687 15.544 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -16.323 0.534 16.557 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -17.834 -1.839 14.481 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -17.979 -0.884 15.960 1.00 0.00 H new ATOM 169 N ASP A 144 -12.964 3.311 10.060 1.00 0.00 N ATOM 170 CA ASP A 144 -13.675 4.082 9.037 1.00 0.00 C ATOM 171 C ASP A 144 -12.971 4.006 7.682 1.00 0.00 C ATOM 172 O ASP A 144 -13.595 4.210 6.641 1.00 0.00 O ATOM 173 CB ASP A 144 -13.773 5.545 9.470 1.00 0.00 C ATOM 174 CG ASP A 144 -14.626 6.328 8.478 1.00 0.00 C ATOM 175 OD1 ASP A 144 -14.123 6.638 7.410 1.00 0.00 O ATOM 176 OD2 ASP A 144 -15.771 6.605 8.799 1.00 0.00 O ATOM 0 H ASP A 144 -12.220 3.823 10.535 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.671 3.652 8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.209 5.609 10.467 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.776 5.982 9.530 1.00 0.00 H new ATOM 181 N GLN A 145 -11.675 3.723 7.699 1.00 0.00 N ATOM 182 CA GLN A 145 -10.905 3.638 6.462 1.00 0.00 C ATOM 183 C GLN A 145 -11.481 2.562 5.535 1.00 0.00 C ATOM 184 O GLN A 145 -10.923 1.473 5.418 1.00 0.00 O ATOM 185 CB GLN A 145 -9.436 3.324 6.797 1.00 0.00 C ATOM 186 CG GLN A 145 -8.664 4.624 7.075 1.00 0.00 C ATOM 187 CD GLN A 145 -7.184 4.323 7.275 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.328 5.042 6.763 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.835 3.294 7.991 1.00 0.00 N ATOM 0 H GLN A 145 -11.137 3.549 8.548 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.963 4.595 5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.386 2.670 7.667 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.973 2.788 5.968 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.793 5.317 6.244 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -9.067 5.112 7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.549 2.701 8.414 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.847 3.081 8.130 1.00 0.00 H new ATOM 198 N CYS A 146 -12.596 2.888 4.877 1.00 0.00 N ATOM 199 CA CYS A 146 -13.263 1.961 3.951 1.00 0.00 C ATOM 200 C CYS A 146 -13.295 2.563 2.539 1.00 0.00 C ATOM 201 O CYS A 146 -14.090 3.460 2.256 1.00 0.00 O ATOM 202 CB CYS A 146 -14.691 1.706 4.457 1.00 0.00 C ATOM 203 SG CYS A 146 -15.538 0.507 3.400 1.00 0.00 S ATOM 0 H CYS A 146 -13.060 3.792 4.967 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.717 1.019 3.908 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.659 1.336 5.482 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.249 2.642 4.474 1.00 0.00 H new ATOM 208 N ASN A 147 -12.404 2.078 1.661 1.00 0.00 N ATOM 209 CA ASN A 147 -12.313 2.586 0.281 1.00 0.00 C ATOM 210 C ASN A 147 -12.213 1.441 -0.736 1.00 0.00 C ATOM 211 O ASN A 147 -11.965 0.293 -0.369 1.00 0.00 O ATOM 212 CB ASN A 147 -11.084 3.488 0.144 1.00 0.00 C ATOM 213 CG ASN A 147 -10.984 4.418 1.348 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.452 5.555 1.295 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.396 4.000 2.436 1.00 0.00 N ATOM 0 H ASN A 147 -11.738 1.337 1.880 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.222 3.151 0.073 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.183 2.880 0.068 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.152 4.073 -0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.323 4.616 3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -10.009 3.057 2.477 1.00 0.00 H new ATOM 222 N ASP A 148 -12.419 1.770 -2.016 1.00 0.00 N ATOM 223 CA ASP A 148 -12.361 0.771 -3.088 1.00 0.00 C ATOM 224 C ASP A 148 -10.924 0.380 -3.422 1.00 0.00 C ATOM 225 O ASP A 148 -9.977 1.109 -3.124 1.00 0.00 O ATOM 226 CB ASP A 148 -13.056 1.308 -4.343 1.00 0.00 C ATOM 227 CG ASP A 148 -12.590 2.727 -4.641 1.00 0.00 C ATOM 228 OD1 ASP A 148 -11.617 2.869 -5.363 1.00 0.00 O ATOM 229 OD2 ASP A 148 -13.216 3.649 -4.147 1.00 0.00 O ATOM 0 H ASP A 148 -12.627 2.717 -2.334 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.877 -0.122 -2.734 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.838 0.661 -5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.137 1.295 -4.202 1.00 0.00 H new ATOM 234 N TYR A 149 -10.780 -0.790 -4.041 1.00 0.00 N ATOM 235 CA TYR A 149 -9.467 -1.306 -4.422 1.00 0.00 C ATOM 236 C TYR A 149 -8.633 -0.225 -5.102 1.00 0.00 C ATOM 237 O TYR A 149 -7.543 0.112 -4.639 1.00 0.00 O ATOM 238 CB TYR A 149 -9.646 -2.488 -5.381 1.00 0.00 C ATOM 239 CG TYR A 149 -8.309 -3.133 -5.668 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.822 -4.148 -4.834 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.562 -2.722 -6.779 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.588 -4.750 -5.111 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.329 -3.323 -7.055 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.842 -4.338 -6.222 1.00 0.00 C ATOM 245 OH TYR A 149 -4.626 -4.932 -6.496 1.00 0.00 O ATOM 0 H TYR A 149 -11.559 -1.400 -4.290 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.946 -1.629 -3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.325 -3.220 -4.945 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.100 -2.146 -6.311 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.398 -4.466 -3.978 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.938 -1.941 -7.423 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.212 -5.532 -4.468 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.753 -3.004 -7.911 1.00 0.00 H new ATOM 0 HH TYR A 149 -3.903 -4.386 -6.121 1.00 0.00 H new ATOM 255 N GLN A 150 -9.150 0.309 -6.203 1.00 0.00 N ATOM 256 CA GLN A 150 -8.442 1.346 -6.944 1.00 0.00 C ATOM 257 C GLN A 150 -8.087 2.516 -6.034 1.00 0.00 C ATOM 258 O GLN A 150 -6.946 2.976 -6.019 1.00 0.00 O ATOM 259 CB GLN A 150 -9.307 1.843 -8.104 1.00 0.00 C ATOM 260 CG GLN A 150 -8.588 2.984 -8.834 1.00 0.00 C ATOM 261 CD GLN A 150 -9.146 3.143 -10.240 1.00 0.00 C ATOM 262 OE1 GLN A 150 -10.003 3.993 -10.480 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.708 2.366 -11.187 1.00 0.00 N ATOM 0 H GLN A 150 -10.051 0.043 -6.600 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.520 0.916 -7.335 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.508 1.025 -8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.271 2.188 -7.730 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.710 3.914 -8.279 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.519 2.779 -8.881 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -7.998 1.663 -10.982 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.075 2.460 -12.134 1.00 0.00 H new ATOM 272 N HIS A 151 -9.068 2.993 -5.276 1.00 0.00 N ATOM 273 CA HIS A 151 -8.836 4.109 -4.369 1.00 0.00 C ATOM 274 C HIS A 151 -7.625 3.827 -3.488 1.00 0.00 C ATOM 275 O HIS A 151 -6.745 4.676 -3.339 1.00 0.00 O ATOM 276 CB HIS A 151 -10.076 4.345 -3.488 1.00 0.00 C ATOM 277 CG HIS A 151 -11.089 5.176 -4.235 1.00 0.00 C ATOM 278 ND1 HIS A 151 -11.128 5.227 -5.620 1.00 0.00 N ATOM 279 CD2 HIS A 151 -12.101 5.995 -3.802 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.134 6.051 -5.967 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.760 6.546 -4.897 1.00 0.00 N ATOM 0 H HIS A 151 -10.021 2.629 -5.271 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.645 5.004 -4.961 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.517 3.390 -3.202 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.787 4.851 -2.567 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -12.349 6.184 -2.768 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -12.402 6.283 -6.987 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -13.551 7.190 -4.885 1.00 0.00 H new ATOM 290 N TRP A 152 -7.586 2.638 -2.897 1.00 0.00 N ATOM 291 CA TRP A 152 -6.474 2.282 -2.029 1.00 0.00 C ATOM 292 C TRP A 152 -5.156 2.330 -2.804 1.00 0.00 C ATOM 293 O TRP A 152 -4.171 2.890 -2.332 1.00 0.00 O ATOM 294 CB TRP A 152 -6.678 0.871 -1.430 1.00 0.00 C ATOM 295 CG TRP A 152 -7.469 0.932 -0.156 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.560 0.174 0.102 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.247 1.753 1.039 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.031 0.477 1.365 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.261 1.447 1.978 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.287 2.727 1.401 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.322 2.078 3.218 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.348 3.357 2.647 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.362 3.039 3.554 1.00 0.00 C ATOM 0 H TRP A 152 -8.299 1.916 -3.001 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.435 3.006 -1.215 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.194 0.238 -2.152 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.709 0.411 -1.238 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -8.993 -0.551 -0.571 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.847 0.039 1.792 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.500 2.986 0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.106 1.827 3.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.605 4.096 2.911 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.405 3.534 4.513 1.00 0.00 H new ATOM 314 N LYS A 153 -5.145 1.730 -3.986 1.00 0.00 N ATOM 315 CA LYS A 153 -3.939 1.700 -4.809 1.00 0.00 C ATOM 316 C LYS A 153 -3.319 3.091 -4.906 1.00 0.00 C ATOM 317 O LYS A 153 -2.099 3.239 -4.848 1.00 0.00 O ATOM 318 CB LYS A 153 -4.298 1.163 -6.211 1.00 0.00 C ATOM 319 CG LYS A 153 -3.102 0.425 -6.853 1.00 0.00 C ATOM 320 CD LYS A 153 -3.610 -0.539 -7.935 1.00 0.00 C ATOM 321 CE LYS A 153 -4.268 0.245 -9.076 1.00 0.00 C ATOM 322 NZ LYS A 153 -4.277 -0.591 -10.308 1.00 0.00 N ATOM 0 H LYS A 153 -5.951 1.259 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.203 1.041 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.149 0.485 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.604 1.990 -6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.410 1.145 -7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.551 -0.126 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.781 -1.132 -8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.327 -1.237 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.286 0.521 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.724 1.172 -9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.723 -0.061 -11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.300 -0.833 -10.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.814 -1.464 -10.131 1.00 0.00 H new ATOM 336 N ASP A 154 -4.161 4.102 -5.050 1.00 0.00 N ATOM 337 CA ASP A 154 -3.671 5.469 -5.147 1.00 0.00 C ATOM 338 C ASP A 154 -3.209 5.973 -3.782 1.00 0.00 C ATOM 339 O ASP A 154 -2.115 6.517 -3.653 1.00 0.00 O ATOM 340 CB ASP A 154 -4.772 6.384 -5.686 1.00 0.00 C ATOM 341 CG ASP A 154 -5.084 6.025 -7.134 1.00 0.00 C ATOM 342 OD1 ASP A 154 -4.280 6.353 -7.991 1.00 0.00 O ATOM 343 OD2 ASP A 154 -6.122 5.428 -7.365 1.00 0.00 O ATOM 0 H ASP A 154 -5.175 4.005 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.823 5.481 -5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.670 6.285 -5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.456 7.425 -5.621 1.00 0.00 H new ATOM 348 N GLU A 155 -4.049 5.787 -2.767 1.00 0.00 N ATOM 349 CA GLU A 155 -3.717 6.234 -1.415 1.00 0.00 C ATOM 350 C GLU A 155 -2.408 5.605 -0.932 1.00 0.00 C ATOM 351 O GLU A 155 -1.504 6.314 -0.488 1.00 0.00 O ATOM 352 CB GLU A 155 -4.866 5.884 -0.456 1.00 0.00 C ATOM 353 CG GLU A 155 -4.435 6.113 1.009 1.00 0.00 C ATOM 354 CD GLU A 155 -5.643 6.481 1.868 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.711 5.946 1.615 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.483 7.290 2.767 1.00 0.00 O ATOM 0 H GLU A 155 -4.959 5.333 -2.853 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.580 7.315 -1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.738 6.496 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.161 4.844 -0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.963 5.212 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.691 6.909 1.056 1.00 0.00 H new ATOM 363 N ALA A 156 -2.303 4.283 -1.022 1.00 0.00 N ATOM 364 CA ALA A 156 -1.087 3.602 -0.591 1.00 0.00 C ATOM 365 C ALA A 156 0.112 4.200 -1.312 1.00 0.00 C ATOM 366 O ALA A 156 1.210 4.276 -0.761 1.00 0.00 O ATOM 367 CB ALA A 156 -1.178 2.101 -0.891 1.00 0.00 C ATOM 0 H ALA A 156 -3.033 3.669 -1.384 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.970 3.735 0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.263 1.608 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.030 1.675 -0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.307 1.951 -1.963 1.00 0.00 H new ATOM 373 N GLY A 157 -0.113 4.639 -2.546 1.00 0.00 N ATOM 374 CA GLY A 157 0.949 5.246 -3.337 1.00 0.00 C ATOM 375 C GLY A 157 1.395 6.566 -2.713 1.00 0.00 C ATOM 376 O GLY A 157 2.591 6.813 -2.550 1.00 0.00 O ATOM 0 H GLY A 157 -1.016 4.586 -3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.796 4.564 -3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.599 5.418 -4.355 1.00 0.00 H new ATOM 380 N LYS A 158 0.429 7.412 -2.364 1.00 0.00 N ATOM 381 CA LYS A 158 0.740 8.703 -1.759 1.00 0.00 C ATOM 382 C LYS A 158 1.372 8.518 -0.382 1.00 0.00 C ATOM 383 O LYS A 158 2.272 9.265 -0.001 1.00 0.00 O ATOM 384 CB LYS A 158 -0.528 9.554 -1.620 1.00 0.00 C ATOM 385 CG LYS A 158 -1.307 9.569 -2.949 1.00 0.00 C ATOM 386 CD LYS A 158 -2.118 10.865 -3.073 1.00 0.00 C ATOM 387 CE LYS A 158 -3.157 10.925 -1.953 1.00 0.00 C ATOM 388 NZ LYS A 158 -2.486 11.287 -0.673 1.00 0.00 N ATOM 0 H LYS A 158 -0.567 7.229 -2.488 1.00 0.00 H new ATOM 0 HA LYS A 158 1.448 9.213 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -1.158 9.154 -0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.262 10.572 -1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.614 9.484 -3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.974 8.708 -2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.455 11.728 -3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.611 10.906 -4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.925 11.660 -2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -3.657 9.962 -1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -3.109 11.908 -0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -2.286 10.423 -0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -1.594 11.782 -0.876 1.00 0.00 H new ATOM 402 N GLN A 159 0.886 7.529 0.365 1.00 0.00 N ATOM 403 CA GLN A 159 1.411 7.277 1.704 1.00 0.00 C ATOM 404 C GLN A 159 2.914 6.998 1.650 1.00 0.00 C ATOM 405 O GLN A 159 3.671 7.462 2.498 1.00 0.00 O ATOM 406 CB GLN A 159 0.669 6.082 2.350 1.00 0.00 C ATOM 407 CG GLN A 159 0.514 6.312 3.862 1.00 0.00 C ATOM 408 CD GLN A 159 -0.631 7.283 4.130 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.412 8.373 4.658 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.848 6.950 3.796 1.00 0.00 N ATOM 0 H GLN A 159 0.141 6.898 0.071 1.00 0.00 H new ATOM 0 HA GLN A 159 1.248 8.166 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.312 5.961 1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.222 5.160 2.169 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.322 5.364 4.364 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.442 6.709 4.274 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -2.028 6.046 3.358 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.619 7.594 3.972 1.00 0.00 H new ATOM 419 N CYS A 160 3.336 6.232 0.654 1.00 0.00 N ATOM 420 CA CYS A 160 4.747 5.899 0.508 1.00 0.00 C ATOM 421 C CYS A 160 5.532 7.078 -0.058 1.00 0.00 C ATOM 422 O CYS A 160 6.652 7.354 0.372 1.00 0.00 O ATOM 423 CB CYS A 160 4.893 4.696 -0.419 1.00 0.00 C ATOM 424 SG CYS A 160 6.550 3.993 -0.243 1.00 0.00 S ATOM 0 H CYS A 160 2.728 5.832 -0.060 1.00 0.00 H new ATOM 0 HA CYS A 160 5.148 5.660 1.493 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.141 3.945 -0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.723 4.998 -1.453 1.00 0.00 H new ATOM 429 N LYS A 161 4.942 7.760 -1.032 1.00 0.00 N ATOM 430 CA LYS A 161 5.601 8.900 -1.661 1.00 0.00 C ATOM 431 C LYS A 161 5.839 10.020 -0.654 1.00 0.00 C ATOM 432 O LYS A 161 6.957 10.522 -0.527 1.00 0.00 O ATOM 433 CB LYS A 161 4.748 9.425 -2.816 1.00 0.00 C ATOM 434 CG LYS A 161 4.782 8.424 -3.973 1.00 0.00 C ATOM 435 CD LYS A 161 3.683 8.770 -4.980 1.00 0.00 C ATOM 436 CE LYS A 161 3.691 7.743 -6.114 1.00 0.00 C ATOM 437 NZ LYS A 161 5.074 7.602 -6.650 1.00 0.00 N ATOM 0 H LYS A 161 4.016 7.547 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 161 6.566 8.565 -2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.721 9.578 -2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.123 10.393 -3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 161 5.757 8.448 -4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 161 4.639 7.411 -3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 161 2.711 8.776 -4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 161 3.843 9.771 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 161 3.331 6.781 -5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 161 3.013 8.057 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 5.032 7.350 -7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 5.583 8.502 -6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 5.574 6.855 -6.127 1.00 0.00 H new ATOM 451 N THR A 162 4.789 10.415 0.058 1.00 0.00 N ATOM 452 CA THR A 162 4.916 11.482 1.045 1.00 0.00 C ATOM 453 C THR A 162 5.916 11.092 2.128 1.00 0.00 C ATOM 454 O THR A 162 6.606 11.943 2.686 1.00 0.00 O ATOM 455 CB THR A 162 3.552 11.795 1.673 1.00 0.00 C ATOM 456 OG1 THR A 162 3.646 12.996 2.428 1.00 0.00 O ATOM 457 CG2 THR A 162 3.126 10.651 2.591 1.00 0.00 C ATOM 0 H THR A 162 3.853 10.019 -0.027 1.00 0.00 H new ATOM 0 HA THR A 162 5.282 12.376 0.539 1.00 0.00 H new ATOM 0 HB THR A 162 2.812 11.914 0.882 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.775 13.199 2.829 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.157 10.881 3.033 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.052 9.729 2.014 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.865 10.525 3.382 1.00 0.00 H new ATOM 465 N LYS A 163 5.996 9.794 2.413 1.00 0.00 N ATOM 466 CA LYS A 163 6.926 9.300 3.422 1.00 0.00 C ATOM 467 C LYS A 163 8.340 9.257 2.850 1.00 0.00 C ATOM 468 O LYS A 163 8.531 9.326 1.636 1.00 0.00 O ATOM 469 CB LYS A 163 6.503 7.898 3.882 1.00 0.00 C ATOM 470 CG LYS A 163 5.314 7.973 4.869 1.00 0.00 C ATOM 471 CD LYS A 163 5.667 8.663 6.209 1.00 0.00 C ATOM 472 CE LYS A 163 7.035 8.216 6.728 1.00 0.00 C ATOM 473 NZ LYS A 163 7.155 8.576 8.169 1.00 0.00 N ATOM 0 H LYS A 163 5.433 9.072 1.963 1.00 0.00 H new ATOM 0 HA LYS A 163 6.911 9.973 4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.225 7.296 3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.346 7.399 4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.493 8.513 4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.956 6.964 5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.664 9.745 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 163 4.902 8.432 6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 163 7.152 7.140 6.599 1.00 0.00 H new ATOM 0 HE3 LYS A 163 7.829 8.694 6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 8.084 8.274 8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 7.060 9.606 8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 6.405 8.100 8.709 1.00 0.00 H new ATOM 487 N LYS A 164 9.332 9.149 3.734 1.00 0.00 N ATOM 488 CA LYS A 164 10.732 9.105 3.311 1.00 0.00 C ATOM 489 C LYS A 164 11.514 8.098 4.152 1.00 0.00 C ATOM 490 O LYS A 164 11.103 7.748 5.258 1.00 0.00 O ATOM 491 CB LYS A 164 11.366 10.497 3.457 1.00 0.00 C ATOM 492 CG LYS A 164 10.984 11.121 4.820 1.00 0.00 C ATOM 493 CD LYS A 164 9.704 11.970 4.688 1.00 0.00 C ATOM 494 CE LYS A 164 10.057 13.385 4.213 1.00 0.00 C ATOM 495 NZ LYS A 164 8.819 14.213 4.156 1.00 0.00 N ATOM 0 H LYS A 164 9.193 9.091 4.743 1.00 0.00 H new ATOM 0 HA LYS A 164 10.768 8.796 2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.450 10.421 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 164 11.030 11.144 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.830 10.333 5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.803 11.742 5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.019 11.501 3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 164 9.189 12.018 5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 164 10.780 13.838 4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 164 10.525 13.344 3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 9.058 15.173 3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 8.144 13.783 3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 8.390 14.262 5.102 1.00 0.00 H new ATOM 509 N SER A 165 12.642 7.642 3.618 1.00 0.00 N ATOM 510 CA SER A 165 13.477 6.680 4.326 1.00 0.00 C ATOM 511 C SER A 165 14.144 7.336 5.529 1.00 0.00 C ATOM 512 O SER A 165 14.058 8.550 5.713 1.00 0.00 O ATOM 513 CB SER A 165 14.548 6.127 3.385 1.00 0.00 C ATOM 514 OG SER A 165 15.605 5.570 4.152 1.00 0.00 O ATOM 0 H SER A 165 12.997 7.921 2.703 1.00 0.00 H new ATOM 0 HA SER A 165 12.844 5.864 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 165 14.118 5.367 2.732 1.00 0.00 H new ATOM 0 HB3 SER A 165 14.929 6.921 2.742 1.00 0.00 H new ATOM 0 HG SER A 165 16.292 5.213 3.551 1.00 0.00 H new ATOM 520 N LYS A 166 14.810 6.526 6.347 1.00 0.00 N ATOM 521 CA LYS A 166 15.488 7.042 7.530 1.00 0.00 C ATOM 522 C LYS A 166 16.436 8.176 7.150 1.00 0.00 C ATOM 523 O LYS A 166 16.656 9.102 7.931 1.00 0.00 O ATOM 524 CB LYS A 166 16.277 5.922 8.213 1.00 0.00 C ATOM 525 CG LYS A 166 15.326 4.788 8.633 1.00 0.00 C ATOM 526 CD LYS A 166 14.656 5.120 9.975 1.00 0.00 C ATOM 527 CE LYS A 166 13.878 3.899 10.472 1.00 0.00 C ATOM 528 NZ LYS A 166 14.827 2.915 11.067 1.00 0.00 N ATOM 0 H LYS A 166 14.894 5.518 6.214 1.00 0.00 H new ATOM 0 HA LYS A 166 14.735 7.426 8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 166 17.038 5.537 7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 166 16.797 6.314 9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 166 14.565 4.640 7.866 1.00 0.00 H new ATOM 0 HG3 LYS A 166 15.880 3.853 8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.409 5.408 10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 166 13.984 5.970 9.858 1.00 0.00 H new ATOM 0 HE2 LYS A 166 13.139 4.202 11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 166 13.332 3.441 9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 14.293 2.177 11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 15.394 2.479 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 15.457 3.401 11.736 1.00 0.00 H new ATOM 542 N GLY A 167 16.996 8.095 5.946 1.00 0.00 N ATOM 543 CA GLY A 167 17.921 9.118 5.465 1.00 0.00 C ATOM 544 C GLY A 167 17.174 10.230 4.737 1.00 0.00 C ATOM 545 O GLY A 167 17.723 10.884 3.850 1.00 0.00 O ATOM 0 H GLY A 167 16.827 7.335 5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.475 9.537 6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.652 8.666 4.794 1.00 0.00 H new ATOM 549 N ASN A 168 15.918 10.438 5.117 1.00 0.00 N ATOM 550 CA ASN A 168 15.103 11.473 4.492 1.00 0.00 C ATOM 551 C ASN A 168 15.193 11.381 2.970 1.00 0.00 C ATOM 552 O ASN A 168 15.373 12.389 2.288 1.00 0.00 O ATOM 553 CB ASN A 168 15.574 12.855 4.949 1.00 0.00 C ATOM 554 CG ASN A 168 15.487 12.959 6.468 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.461 13.333 7.122 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.373 12.647 7.072 1.00 0.00 N ATOM 0 H ASN A 168 15.445 9.908 5.849 1.00 0.00 H new ATOM 0 HA ASN A 168 14.066 11.324 4.793 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.600 13.025 4.623 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.960 13.629 4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 168 14.308 12.713 8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.567 12.337 6.528 1.00 0.00 H new ATOM 563 N LYS A 169 15.069 10.161 2.447 1.00 0.00 N ATOM 564 CA LYS A 169 15.138 9.931 1.000 1.00 0.00 C ATOM 565 C LYS A 169 13.742 9.616 0.450 1.00 0.00 C ATOM 566 O LYS A 169 12.740 9.783 1.145 1.00 0.00 O ATOM 567 CB LYS A 169 16.111 8.758 0.719 1.00 0.00 C ATOM 568 CG LYS A 169 17.011 9.073 -0.489 1.00 0.00 C ATOM 569 CD LYS A 169 17.640 7.782 -1.017 1.00 0.00 C ATOM 570 CE LYS A 169 18.539 7.174 0.061 1.00 0.00 C ATOM 571 NZ LYS A 169 19.415 6.134 -0.550 1.00 0.00 N ATOM 0 H LYS A 169 14.921 9.317 3.001 1.00 0.00 H new ATOM 0 HA LYS A 169 15.505 10.829 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.727 8.572 1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.544 7.847 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.426 9.551 -1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.791 9.777 -0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 169 16.861 7.074 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 169 18.221 7.989 -1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 169 19.147 7.951 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 169 17.931 6.734 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 20.026 5.721 0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 18.826 5.388 -0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 20.005 6.567 -1.289 1.00 0.00 H new ATOM 585 N ASP A 170 13.687 9.156 -0.800 1.00 0.00 N ATOM 586 CA ASP A 170 12.414 8.816 -1.441 1.00 0.00 C ATOM 587 C ASP A 170 12.242 7.302 -1.507 1.00 0.00 C ATOM 588 O ASP A 170 13.222 6.557 -1.497 1.00 0.00 O ATOM 589 CB ASP A 170 12.376 9.395 -2.855 1.00 0.00 C ATOM 590 CG ASP A 170 11.020 9.117 -3.497 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.095 9.863 -3.226 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.927 8.159 -4.248 1.00 0.00 O ATOM 0 H ASP A 170 14.507 9.010 -1.389 1.00 0.00 H new ATOM 0 HA ASP A 170 11.602 9.240 -0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.558 10.469 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 170 13.170 8.955 -3.458 1.00 0.00 H new ATOM 597 N MET A 171 10.990 6.852 -1.579 1.00 0.00 N ATOM 598 CA MET A 171 10.698 5.420 -1.648 1.00 0.00 C ATOM 599 C MET A 171 9.441 5.166 -2.474 1.00 0.00 C ATOM 600 O MET A 171 8.420 5.830 -2.290 1.00 0.00 O ATOM 601 CB MET A 171 10.499 4.857 -0.238 1.00 0.00 C ATOM 602 CG MET A 171 11.743 5.132 0.609 1.00 0.00 C ATOM 603 SD MET A 171 11.684 4.130 2.120 1.00 0.00 S ATOM 604 CE MET A 171 11.881 2.501 1.350 1.00 0.00 C ATOM 0 H MET A 171 10.166 7.453 -1.591 1.00 0.00 H new ATOM 0 HA MET A 171 11.542 4.923 -2.125 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.624 5.313 0.225 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.311 3.784 -0.288 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.642 4.897 0.040 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.795 6.190 0.864 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.172 1.773 2.108 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.938 2.196 0.897 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.652 2.553 0.582 1.00 0.00 H new ATOM 614 N ILE A 172 9.519 4.190 -3.374 1.00 0.00 N ATOM 615 CA ILE A 172 8.381 3.834 -4.221 1.00 0.00 C ATOM 616 C ILE A 172 7.555 2.751 -3.541 1.00 0.00 C ATOM 617 O ILE A 172 7.806 2.412 -2.388 1.00 0.00 O ATOM 618 CB ILE A 172 8.872 3.335 -5.590 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.684 2.037 -5.438 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.764 4.402 -6.226 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.992 1.465 -6.825 1.00 0.00 C ATOM 0 H ILE A 172 10.357 3.631 -3.537 1.00 0.00 H new ATOM 0 HA ILE A 172 7.762 4.718 -4.372 1.00 0.00 H new ATOM 0 HB ILE A 172 8.004 3.139 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.611 2.236 -4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.123 1.311 -4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.114 4.052 -7.197 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.194 5.322 -6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.620 4.593 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.567 0.545 -6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 172 9.059 1.252 -7.346 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.570 2.191 -7.398 1.00 0.00 H new ATOM 633 N VAL A 173 6.588 2.194 -4.269 1.00 0.00 N ATOM 634 CA VAL A 173 5.747 1.119 -3.737 1.00 0.00 C ATOM 635 C VAL A 173 6.024 -0.169 -4.507 1.00 0.00 C ATOM 636 O VAL A 173 5.665 -0.300 -5.676 1.00 0.00 O ATOM 637 CB VAL A 173 4.262 1.498 -3.844 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.390 0.276 -3.531 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.943 2.618 -2.841 1.00 0.00 C ATOM 0 H VAL A 173 6.367 2.467 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 173 5.984 0.966 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 173 4.054 1.842 -4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.338 0.550 -3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.611 -0.520 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.601 -0.072 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.889 2.886 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.157 2.272 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.557 3.491 -3.063 1.00 0.00 H new ATOM 649 N ARG A 174 6.686 -1.103 -3.837 1.00 0.00 N ATOM 650 CA ARG A 174 7.042 -2.375 -4.448 1.00 0.00 C ATOM 651 C ARG A 174 5.819 -3.295 -4.547 1.00 0.00 C ATOM 652 O ARG A 174 5.471 -3.754 -5.635 1.00 0.00 O ATOM 653 CB ARG A 174 8.175 -3.026 -3.618 1.00 0.00 C ATOM 654 CG ARG A 174 8.123 -4.561 -3.698 1.00 0.00 C ATOM 655 CD ARG A 174 9.473 -5.145 -3.275 1.00 0.00 C ATOM 656 NE ARG A 174 9.401 -6.600 -3.226 1.00 0.00 N ATOM 657 CZ ARG A 174 10.424 -7.325 -2.787 1.00 0.00 C ATOM 658 NH1 ARG A 174 11.519 -6.735 -2.389 1.00 0.00 N ATOM 659 NH2 ARG A 174 10.336 -8.626 -2.755 1.00 0.00 N ATOM 0 H ARG A 174 6.988 -1.002 -2.868 1.00 0.00 H new ATOM 0 HA ARG A 174 7.396 -2.208 -5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.141 -2.674 -3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.092 -2.712 -2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.332 -4.942 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.883 -4.874 -4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.247 -4.836 -3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.756 -4.755 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 174 8.550 -7.070 -3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 174 11.589 -5.718 -2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 174 12.305 -7.291 -2.052 1.00 0.00 H new ATOM 0 HH21 ARG A 174 9.481 -9.087 -3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 174 11.122 -9.182 -2.418 1.00 0.00 H new ATOM 673 N SER A 175 5.183 -3.569 -3.408 1.00 0.00 N ATOM 674 CA SER A 175 4.005 -4.448 -3.378 1.00 0.00 C ATOM 675 C SER A 175 2.766 -3.682 -2.931 1.00 0.00 C ATOM 676 O SER A 175 2.865 -2.580 -2.391 1.00 0.00 O ATOM 677 CB SER A 175 4.256 -5.614 -2.420 1.00 0.00 C ATOM 678 OG SER A 175 3.338 -6.662 -2.706 1.00 0.00 O ATOM 0 H SER A 175 5.458 -3.200 -2.498 1.00 0.00 H new ATOM 0 HA SER A 175 3.834 -4.827 -4.386 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.280 -5.973 -2.526 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.139 -5.284 -1.388 1.00 0.00 H new ATOM 0 HG SER A 175 3.497 -7.412 -2.095 1.00 0.00 H new ATOM 684 N PHE A 176 1.597 -4.277 -3.157 1.00 0.00 N ATOM 685 CA PHE A 176 0.344 -3.640 -2.769 1.00 0.00 C ATOM 686 C PHE A 176 -0.818 -4.631 -2.870 1.00 0.00 C ATOM 687 O PHE A 176 -0.976 -5.330 -3.870 1.00 0.00 O ATOM 688 CB PHE A 176 0.106 -2.401 -3.657 1.00 0.00 C ATOM 689 CG PHE A 176 -1.364 -2.028 -3.689 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.904 -1.235 -2.676 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.181 -2.481 -4.729 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.254 -0.896 -2.693 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.539 -2.137 -4.749 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.076 -1.344 -3.729 1.00 0.00 C ATOM 0 H PHE A 176 1.493 -5.189 -3.602 1.00 0.00 H new ATOM 0 HA PHE A 176 0.406 -3.318 -1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.690 -1.561 -3.279 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.456 -2.603 -4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.271 -0.882 -1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.766 -3.095 -5.515 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.666 -0.285 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.172 -2.484 -5.552 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.123 -1.079 -3.743 1.00 0.00 H new ATOM 704 N ALA A 177 -1.626 -4.671 -1.813 1.00 0.00 N ATOM 705 CA ALA A 177 -2.784 -5.563 -1.758 1.00 0.00 C ATOM 706 C ALA A 177 -3.685 -5.157 -0.598 1.00 0.00 C ATOM 707 O ALA A 177 -3.191 -4.777 0.456 1.00 0.00 O ATOM 708 CB ALA A 177 -2.322 -7.010 -1.561 1.00 0.00 C ATOM 0 H ALA A 177 -1.500 -4.095 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.336 -5.488 -2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.191 -7.667 -1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.682 -7.304 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.764 -7.090 -0.628 1.00 0.00 H new ATOM 714 N VAL A 178 -5.002 -5.229 -0.787 1.00 0.00 N ATOM 715 CA VAL A 178 -5.922 -4.836 0.279 1.00 0.00 C ATOM 716 C VAL A 178 -5.851 -5.811 1.451 1.00 0.00 C ATOM 717 O VAL A 178 -5.304 -6.906 1.325 1.00 0.00 O ATOM 718 CB VAL A 178 -7.361 -4.739 -0.243 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.469 -3.562 -1.221 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.758 -6.040 -0.953 1.00 0.00 C ATOM 0 H VAL A 178 -5.448 -5.548 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.616 -3.851 0.631 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.035 -4.580 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.491 -3.491 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.205 -2.637 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.788 -3.720 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.782 -5.957 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.086 -6.216 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.689 -6.872 -0.253 1.00 0.00 H new ATOM 730 N LEU A 179 -6.375 -5.387 2.608 1.00 0.00 N ATOM 731 CA LEU A 179 -6.335 -6.212 3.820 1.00 0.00 C ATOM 732 C LEU A 179 -7.725 -6.685 4.243 1.00 0.00 C ATOM 733 O LEU A 179 -8.242 -7.679 3.732 1.00 0.00 O ATOM 734 CB LEU A 179 -5.721 -5.403 4.977 1.00 0.00 C ATOM 735 CG LEU A 179 -4.193 -5.273 4.817 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.627 -4.341 5.929 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.531 -6.677 4.883 1.00 0.00 C ATOM 0 H LEU A 179 -6.829 -4.482 2.729 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.729 -7.089 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.172 -4.411 5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -5.950 -5.889 5.926 1.00 0.00 H new ATOM 0 HG LEU A 179 -3.966 -4.833 3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.547 -4.251 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.084 -3.355 5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.853 -4.764 6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.452 -6.576 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.753 -7.139 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -3.924 -7.302 4.081 1.00 0.00 H new ATOM 749 N GLU A 180 -8.299 -5.983 5.217 1.00 0.00 N ATOM 750 CA GLU A 180 -9.605 -6.349 5.756 1.00 0.00 C ATOM 751 C GLU A 180 -10.734 -6.041 4.765 1.00 0.00 C ATOM 752 O GLU A 180 -10.662 -5.055 4.031 1.00 0.00 O ATOM 753 CB GLU A 180 -9.853 -5.586 7.058 1.00 0.00 C ATOM 754 CG GLU A 180 -8.945 -6.139 8.158 1.00 0.00 C ATOM 755 CD GLU A 180 -8.959 -5.205 9.363 1.00 0.00 C ATOM 756 OE1 GLU A 180 -9.873 -5.317 10.164 1.00 0.00 O ATOM 757 OE2 GLU A 180 -8.056 -4.392 9.469 1.00 0.00 O ATOM 0 H GLU A 180 -7.881 -5.159 5.648 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.601 -7.423 5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.658 -4.524 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.898 -5.681 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.282 -7.133 8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -7.928 -6.246 7.782 1.00 0.00 H new ATOM 764 N PRO A 181 -11.776 -6.849 4.732 1.00 0.00 N ATOM 765 CA PRO A 181 -12.932 -6.629 3.814 1.00 0.00 C ATOM 766 C PRO A 181 -13.909 -5.568 4.333 1.00 0.00 C ATOM 767 O PRO A 181 -14.124 -5.428 5.537 1.00 0.00 O ATOM 768 CB PRO A 181 -13.602 -8.004 3.778 1.00 0.00 C ATOM 769 CG PRO A 181 -13.374 -8.549 5.148 1.00 0.00 C ATOM 770 CD PRO A 181 -11.977 -8.066 5.552 1.00 0.00 C ATOM 0 HA PRO A 181 -12.617 -6.258 2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.665 -7.925 3.551 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.160 -8.644 3.014 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.131 -8.189 5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.429 -9.638 5.152 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -11.923 -7.844 6.618 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.217 -8.819 5.344 1.00 0.00 H new ATOM 778 N CYS A 182 -14.501 -4.843 3.394 1.00 0.00 N ATOM 779 CA CYS A 182 -15.479 -3.791 3.685 1.00 0.00 C ATOM 780 C CYS A 182 -16.668 -3.965 2.740 1.00 0.00 C ATOM 781 O CYS A 182 -16.774 -4.995 2.074 1.00 0.00 O ATOM 782 CB CYS A 182 -14.846 -2.407 3.507 1.00 0.00 C ATOM 783 SG CYS A 182 -15.683 -1.171 4.527 1.00 0.00 S ATOM 0 H CYS A 182 -14.318 -4.966 2.398 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.814 -3.870 4.719 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.790 -2.450 3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.897 -2.113 2.459 1.00 0.00 H new ATOM 788 N ALA A 183 -17.564 -2.980 2.705 1.00 0.00 N ATOM 789 CA ALA A 183 -18.753 -3.050 1.844 1.00 0.00 C ATOM 790 C ALA A 183 -18.458 -3.766 0.519 1.00 0.00 C ATOM 791 O ALA A 183 -17.302 -3.921 0.131 1.00 0.00 O ATOM 792 CB ALA A 183 -19.258 -1.636 1.552 1.00 0.00 C ATOM 0 H ALA A 183 -17.494 -2.126 3.258 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.513 -3.623 2.375 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.140 -1.689 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.517 -1.142 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.477 -1.068 1.046 1.00 0.00 H new ATOM 798 N LEU A 184 -19.533 -4.202 -0.150 1.00 0.00 N ATOM 799 CA LEU A 184 -19.454 -4.933 -1.428 1.00 0.00 C ATOM 800 C LEU A 184 -18.086 -4.829 -2.107 1.00 0.00 C ATOM 801 O LEU A 184 -17.373 -5.825 -2.227 1.00 0.00 O ATOM 802 CB LEU A 184 -20.519 -4.393 -2.390 1.00 0.00 C ATOM 803 CG LEU A 184 -20.681 -5.344 -3.601 1.00 0.00 C ATOM 804 CD1 LEU A 184 -21.756 -6.394 -3.304 1.00 0.00 C ATOM 805 CD2 LEU A 184 -21.092 -4.541 -4.842 1.00 0.00 C ATOM 0 H LEU A 184 -20.488 -4.059 0.179 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.621 -5.984 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.471 -4.291 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.236 -3.398 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 184 -19.729 -5.842 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -21.863 -7.058 -4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -21.465 -6.975 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -22.706 -5.897 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -21.204 -5.215 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -22.039 -4.036 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -20.325 -3.800 -5.066 1.00 0.00 H new ATOM 817 N ASP A 185 -17.731 -3.629 -2.565 1.00 0.00 N ATOM 818 CA ASP A 185 -16.451 -3.414 -3.251 1.00 0.00 C ATOM 819 C ASP A 185 -15.615 -2.386 -2.501 1.00 0.00 C ATOM 820 O ASP A 185 -15.397 -1.277 -2.986 1.00 0.00 O ATOM 821 CB ASP A 185 -16.717 -2.920 -4.678 1.00 0.00 C ATOM 822 CG ASP A 185 -15.469 -3.096 -5.538 1.00 0.00 C ATOM 823 OD1 ASP A 185 -15.191 -4.221 -5.918 1.00 0.00 O ATOM 824 OD2 ASP A 185 -14.811 -2.103 -5.801 1.00 0.00 O ATOM 0 H ASP A 185 -18.307 -2.792 -2.476 1.00 0.00 H new ATOM 0 HA ASP A 185 -15.902 -4.355 -3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -17.549 -3.474 -5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.009 -1.870 -4.659 1.00 0.00 H new ATOM 829 N MET A 186 -15.157 -2.763 -1.310 1.00 0.00 N ATOM 830 CA MET A 186 -14.358 -1.863 -0.485 1.00 0.00 C ATOM 831 C MET A 186 -13.538 -2.646 0.539 1.00 0.00 C ATOM 832 O MET A 186 -13.823 -3.810 0.817 1.00 0.00 O ATOM 833 CB MET A 186 -15.277 -0.863 0.231 1.00 0.00 C ATOM 834 CG MET A 186 -15.831 0.169 -0.759 1.00 0.00 C ATOM 835 SD MET A 186 -16.397 1.627 0.156 1.00 0.00 S ATOM 836 CE MET A 186 -16.007 2.866 -1.105 1.00 0.00 C ATOM 0 H MET A 186 -15.325 -3.680 -0.897 1.00 0.00 H new ATOM 0 HA MET A 186 -13.668 -1.322 -1.132 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.100 -1.395 0.708 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.725 -0.356 1.022 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.061 0.452 -1.477 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.655 -0.261 -1.328 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.148 3.864 -0.690 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.971 2.748 -1.423 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.667 2.733 -1.962 1.00 0.00 H new ATOM 846 N PHE A 187 -12.511 -1.993 1.099 1.00 0.00 N ATOM 847 CA PHE A 187 -11.643 -2.626 2.101 1.00 0.00 C ATOM 848 C PHE A 187 -11.408 -1.692 3.291 1.00 0.00 C ATOM 849 O PHE A 187 -11.120 -0.508 3.116 1.00 0.00 O ATOM 850 CB PHE A 187 -10.318 -2.996 1.447 1.00 0.00 C ATOM 851 CG PHE A 187 -10.613 -3.952 0.325 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.695 -5.324 0.580 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.838 -3.464 -0.967 1.00 0.00 C ATOM 854 CE1 PHE A 187 -10.995 -6.213 -0.455 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.143 -4.350 -2.004 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.221 -5.726 -1.751 1.00 0.00 C ATOM 0 H PHE A 187 -12.261 -1.029 0.876 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.130 -3.525 2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.816 -2.105 1.069 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.648 -3.455 2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.526 -5.697 1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.776 -2.404 -1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.053 -7.273 -0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.319 -3.974 -3.001 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.455 -6.411 -2.553 1.00 0.00 H new ATOM 866 N THR A 188 -11.559 -2.235 4.501 1.00 0.00 N ATOM 867 CA THR A 188 -11.389 -1.442 5.721 1.00 0.00 C ATOM 868 C THR A 188 -9.932 -1.015 5.902 1.00 0.00 C ATOM 869 O THR A 188 -9.639 -0.094 6.666 1.00 0.00 O ATOM 870 CB THR A 188 -11.851 -2.231 6.974 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.719 -2.638 7.731 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.654 -3.472 6.570 1.00 0.00 C ATOM 0 H THR A 188 -11.797 -3.214 4.662 1.00 0.00 H new ATOM 0 HA THR A 188 -12.011 -0.553 5.613 1.00 0.00 H new ATOM 0 HB THR A 188 -12.485 -1.578 7.573 1.00 0.00 H new ATOM 0 HG1 THR A 188 -11.016 -3.134 8.522 1.00 0.00 H new ATOM 0 HG21 THR A 188 -12.968 -4.010 7.465 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.534 -3.167 6.003 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.033 -4.123 5.955 1.00 0.00 H new ATOM 880 N GLY A 189 -9.023 -1.692 5.211 1.00 0.00 N ATOM 881 CA GLY A 189 -7.605 -1.373 5.327 1.00 0.00 C ATOM 882 C GLY A 189 -6.813 -1.978 4.180 1.00 0.00 C ATOM 883 O GLY A 189 -7.295 -2.876 3.487 1.00 0.00 O ATOM 0 H GLY A 189 -9.238 -2.457 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.472 -0.291 5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.221 -1.748 6.276 1.00 0.00 H new ATOM 887 N VAL A 190 -5.592 -1.483 3.976 1.00 0.00 N ATOM 888 CA VAL A 190 -4.743 -1.992 2.897 1.00 0.00 C ATOM 889 C VAL A 190 -3.274 -2.053 3.306 1.00 0.00 C ATOM 890 O VAL A 190 -2.779 -1.190 4.031 1.00 0.00 O ATOM 891 CB VAL A 190 -4.905 -1.101 1.650 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.483 0.337 1.983 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.047 -1.638 0.473 1.00 0.00 C ATOM 0 H VAL A 190 -5.172 -0.740 4.535 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.062 -3.010 2.672 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.953 -1.115 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.599 0.964 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.110 0.723 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.440 0.346 2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.177 -0.993 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -2.996 -1.648 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.364 -2.651 0.224 1.00 0.00 H new ATOM 903 N GLU A 191 -2.579 -3.084 2.818 1.00 0.00 N ATOM 904 CA GLU A 191 -1.155 -3.269 3.109 1.00 0.00 C ATOM 905 C GLU A 191 -0.329 -3.055 1.845 1.00 0.00 C ATOM 906 O GLU A 191 -0.730 -3.465 0.756 1.00 0.00 O ATOM 907 CB GLU A 191 -0.913 -4.679 3.670 1.00 0.00 C ATOM 908 CG GLU A 191 -1.152 -5.758 2.606 1.00 0.00 C ATOM 909 CD GLU A 191 -0.834 -7.131 3.187 1.00 0.00 C ATOM 910 OE1 GLU A 191 0.041 -7.206 4.034 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.468 -8.089 2.777 1.00 0.00 O ATOM 0 H GLU A 191 -2.981 -3.805 2.218 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.848 -2.536 3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.109 -4.753 4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.574 -4.852 4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.188 -5.726 2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.526 -5.568 1.734 1.00 0.00 H new ATOM 918 N PHE A 192 0.827 -2.414 1.991 1.00 0.00 N ATOM 919 CA PHE A 192 1.699 -2.164 0.845 1.00 0.00 C ATOM 920 C PHE A 192 3.152 -2.045 1.281 1.00 0.00 C ATOM 921 O PHE A 192 3.451 -1.551 2.369 1.00 0.00 O ATOM 922 CB PHE A 192 1.273 -0.892 0.105 1.00 0.00 C ATOM 923 CG PHE A 192 1.139 0.270 1.063 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.063 0.321 1.959 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.080 1.310 1.041 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.068 1.406 2.834 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.946 2.395 1.915 1.00 0.00 C ATOM 928 CZ PHE A 192 0.873 2.441 2.812 1.00 0.00 C ATOM 0 H PHE A 192 1.180 -2.061 2.881 1.00 0.00 H new ATOM 0 HA PHE A 192 1.607 -3.013 0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 192 2.006 -0.651 -0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.323 -1.062 -0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.665 -0.476 1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.909 1.274 0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.896 1.444 3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.670 3.196 1.897 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.771 3.277 3.488 1.00 0.00 H new ATOM 938 N VAL A 193 4.055 -2.509 0.418 1.00 0.00 N ATOM 939 CA VAL A 193 5.492 -2.462 0.710 1.00 0.00 C ATOM 940 C VAL A 193 6.152 -1.302 -0.025 1.00 0.00 C ATOM 941 O VAL A 193 5.726 -0.921 -1.115 1.00 0.00 O ATOM 942 CB VAL A 193 6.158 -3.773 0.278 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.676 -3.675 0.480 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.608 -4.926 1.121 1.00 0.00 C ATOM 0 H VAL A 193 3.821 -2.920 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 193 5.617 -2.321 1.784 1.00 0.00 H new ATOM 0 HB VAL A 193 5.945 -3.954 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.145 -4.609 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.071 -2.855 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.892 -3.491 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 193 6.081 -5.859 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.820 -4.740 2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.530 -5.001 0.976 1.00 0.00 H new ATOM 954 N CYS A 194 7.202 -0.751 0.580 1.00 0.00 N ATOM 955 CA CYS A 194 7.940 0.366 -0.016 1.00 0.00 C ATOM 956 C CYS A 194 9.386 -0.039 -0.279 1.00 0.00 C ATOM 957 O CYS A 194 9.926 -0.907 0.404 1.00 0.00 O ATOM 958 CB CYS A 194 7.913 1.570 0.927 1.00 0.00 C ATOM 959 SG CYS A 194 6.276 2.338 0.882 1.00 0.00 S ATOM 0 H CYS A 194 7.563 -1.058 1.483 1.00 0.00 H new ATOM 0 HA CYS A 194 7.466 0.633 -0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.150 1.255 1.943 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.673 2.293 0.632 1.00 0.00 H new ATOM 964 N CYS A 195 10.013 0.595 -1.272 1.00 0.00 N ATOM 965 CA CYS A 195 11.405 0.286 -1.616 1.00 0.00 C ATOM 966 C CYS A 195 12.164 1.569 -2.001 1.00 0.00 C ATOM 967 O CYS A 195 11.586 2.466 -2.611 1.00 0.00 O ATOM 968 CB CYS A 195 11.430 -0.708 -2.780 1.00 0.00 C ATOM 969 SG CYS A 195 11.061 -2.368 -2.155 1.00 0.00 S ATOM 0 H CYS A 195 9.585 1.319 -1.848 1.00 0.00 H new ATOM 0 HA CYS A 195 11.896 -0.155 -0.749 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.699 -0.420 -3.535 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.408 -0.697 -3.262 1.00 0.00 H new ATOM 974 N PRO A 196 13.435 1.681 -1.660 1.00 0.00 N ATOM 975 CA PRO A 196 14.249 2.896 -1.987 1.00 0.00 C ATOM 976 C PRO A 196 14.650 2.949 -3.460 1.00 0.00 C ATOM 977 O PRO A 196 15.439 3.801 -3.867 1.00 0.00 O ATOM 978 CB PRO A 196 15.479 2.743 -1.086 1.00 0.00 C ATOM 979 CG PRO A 196 15.657 1.268 -0.952 1.00 0.00 C ATOM 980 CD PRO A 196 14.242 0.682 -0.929 1.00 0.00 C ATOM 0 HA PRO A 196 13.698 3.821 -1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.358 3.211 -1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.322 3.214 -0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.234 0.866 -1.785 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.199 1.020 -0.039 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.205 -0.294 -1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.882 0.546 0.091 1.00 0.00 H new ATOM 988 N ASN A 197 14.104 2.036 -4.253 1.00 0.00 N ATOM 989 CA ASN A 197 14.414 1.992 -5.676 1.00 0.00 C ATOM 990 C ASN A 197 14.339 3.392 -6.283 1.00 0.00 C ATOM 991 O ASN A 197 13.235 3.866 -6.491 1.00 0.00 O ATOM 992 CB ASN A 197 13.424 1.063 -6.387 1.00 0.00 C ATOM 993 CG ASN A 197 13.807 -0.395 -6.164 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.910 -0.689 -5.703 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.952 -1.332 -6.467 1.00 0.00 N ATOM 996 OXT ASN A 197 15.386 3.967 -6.529 1.00 0.00 O ATOM 0 H ASN A 197 13.449 1.321 -3.938 1.00 0.00 H new ATOM 0 HA ASN A 197 15.427 1.612 -5.805 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.416 1.242 -6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.412 1.283 -7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.196 -2.312 -6.322 1.00 0.00 H new ATOM 0 HD22 ASN A 197 12.039 -1.085 -6.849 1.00 0.00 H new TER 1003 ASN A 197