USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 448 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 171 ASN : amide:sc= -0.44 K(o=-1.4,f=-2.2) USER MOD Set 1.2: A 181 MET CE :methyl 160:sc= -0.969 (180deg=-1.82!) USER MOD Single : A 135 CYS SG : rot 180:sc= 0 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= -0.298 K(o=-0.3,f=-3!) USER MOD Single : A 146 ASN : amide:sc= -1.53 K(o=-1.5,f=0.049) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 137:sc= 0.635 (180deg=-1.24) USER MOD Single : A 168 GLN : amide:sc= -2.73! C(o=-2.7!,f=-5.6!) USER MOD Single : A 175 SER OG : rot -48:sc= 1.15 USER MOD Single : A 178 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0211) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 135 1.295 0.270 -0.209 1.00 0.00 N ATOM 2 CA CYS A 135 2.041 0.144 -1.449 1.00 0.00 C ATOM 3 C CYS A 135 2.017 -1.325 -1.877 1.00 0.00 C ATOM 4 O CYS A 135 3.040 -1.873 -2.283 1.00 0.00 O ATOM 5 CB CYS A 135 3.470 0.673 -1.305 1.00 0.00 C ATOM 6 SG CYS A 135 3.510 2.470 -1.651 1.00 0.00 S ATOM 0 HA CYS A 135 1.573 0.754 -2.222 1.00 0.00 H new ATOM 0 HB2 CYS A 135 3.838 0.480 -0.297 1.00 0.00 H new ATOM 0 HB3 CYS A 135 4.132 0.147 -1.993 1.00 0.00 H new ATOM 0 HG CYS A 135 4.727 2.909 -1.524 1.00 0.00 H new ATOM 12 N TYR A 136 0.838 -1.919 -1.773 1.00 0.00 N ATOM 13 CA TYR A 136 0.666 -3.313 -2.144 1.00 0.00 C ATOM 14 C TYR A 136 -0.761 -3.581 -2.627 1.00 0.00 C ATOM 15 O TYR A 136 -1.662 -2.779 -2.385 1.00 0.00 O ATOM 16 CB TYR A 136 0.922 -4.123 -0.872 1.00 0.00 C ATOM 17 CG TYR A 136 2.382 -4.118 -0.413 1.00 0.00 C ATOM 18 CD1 TYR A 136 3.263 -5.058 -0.906 1.00 0.00 C ATOM 19 CD2 TYR A 136 2.816 -3.172 0.493 1.00 0.00 C ATOM 20 CE1 TYR A 136 4.637 -5.053 -0.475 1.00 0.00 C ATOM 21 CE2 TYR A 136 4.190 -3.167 0.925 1.00 0.00 C ATOM 22 CZ TYR A 136 5.032 -4.107 0.419 1.00 0.00 C ATOM 23 OH TYR A 136 6.330 -4.102 0.827 1.00 0.00 O ATOM 0 H TYR A 136 -0.009 -1.460 -1.437 1.00 0.00 H new ATOM 0 HA TYR A 136 1.345 -3.581 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 136 0.299 -3.727 -0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 136 0.609 -5.153 -1.041 1.00 0.00 H new ATOM 0 HD1 TYR A 136 2.922 -5.798 -1.615 1.00 0.00 H new ATOM 0 HD2 TYR A 136 2.126 -2.436 0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 136 5.337 -5.783 -0.853 1.00 0.00 H new ATOM 0 HE2 TYR A 136 4.543 -2.433 1.635 1.00 0.00 H new ATOM 0 HH TYR A 136 6.470 -3.371 1.465 1.00 0.00 H new ATOM 33 N VAL A 137 -0.922 -4.710 -3.301 1.00 0.00 N ATOM 34 CA VAL A 137 -2.223 -5.093 -3.820 1.00 0.00 C ATOM 35 C VAL A 137 -2.375 -6.613 -3.732 1.00 0.00 C ATOM 36 O VAL A 137 -1.450 -7.353 -4.063 1.00 0.00 O ATOM 37 CB VAL A 137 -2.399 -4.555 -5.241 1.00 0.00 C ATOM 38 CG1 VAL A 137 -2.576 -3.036 -5.234 1.00 0.00 C ATOM 39 CG2 VAL A 137 -1.226 -4.967 -6.132 1.00 0.00 C ATOM 0 H VAL A 137 -0.172 -5.372 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.019 -4.652 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 137 -3.305 -4.995 -5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.699 -2.679 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.459 -2.775 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.697 -2.569 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -1.376 -4.572 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.299 -4.569 -5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -1.166 -6.055 -6.175 1.00 0.00 H new ATOM 49 N ARG A 138 -3.549 -7.034 -3.285 1.00 0.00 N ATOM 50 CA ARG A 138 -3.834 -8.452 -3.150 1.00 0.00 C ATOM 51 C ARG A 138 -4.728 -8.925 -4.297 1.00 0.00 C ATOM 52 O ARG A 138 -5.899 -8.556 -4.369 1.00 0.00 O ATOM 53 CB ARG A 138 -4.524 -8.751 -1.818 1.00 0.00 C ATOM 54 CG ARG A 138 -4.058 -10.091 -1.247 1.00 0.00 C ATOM 55 CD ARG A 138 -4.430 -10.218 0.231 1.00 0.00 C ATOM 56 NE ARG A 138 -5.903 -10.225 0.383 1.00 0.00 N ATOM 57 CZ ARG A 138 -6.570 -11.040 1.211 1.00 0.00 C ATOM 58 NH1 ARG A 138 -5.899 -11.921 1.966 1.00 0.00 N ATOM 59 NH2 ARG A 138 -7.906 -10.975 1.283 1.00 0.00 N ATOM 0 H ARG A 138 -4.314 -6.417 -3.012 1.00 0.00 H new ATOM 0 HA ARG A 138 -2.884 -8.985 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -4.309 -7.954 -1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -5.605 -8.768 -1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -4.510 -10.907 -1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -2.978 -10.184 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -4.009 -11.135 0.643 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -4.002 -9.389 0.795 1.00 0.00 H new ATOM 0 HE ARG A 138 -6.444 -9.567 -0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -4.882 -11.970 1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -6.406 -12.542 2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -8.416 -10.305 0.707 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -8.414 -11.596 1.914 1.00 0.00 H new ATOM 73 N ALA A 139 -4.143 -9.736 -5.166 1.00 0.00 N ATOM 74 CA ALA A 139 -4.873 -10.263 -6.306 1.00 0.00 C ATOM 75 C ALA A 139 -5.708 -11.465 -5.861 1.00 0.00 C ATOM 76 O ALA A 139 -5.172 -12.551 -5.643 1.00 0.00 O ATOM 77 CB ALA A 139 -3.888 -10.620 -7.423 1.00 0.00 C ATOM 0 H ALA A 139 -3.172 -10.041 -5.103 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.558 -9.513 -6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -4.436 -11.015 -8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.340 -9.727 -7.724 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -3.186 -11.372 -7.063 1.00 0.00 H new ATOM 83 N LEU A 140 -7.006 -11.231 -5.739 1.00 0.00 N ATOM 84 CA LEU A 140 -7.921 -12.280 -5.322 1.00 0.00 C ATOM 85 C LEU A 140 -8.428 -13.027 -6.558 1.00 0.00 C ATOM 86 O LEU A 140 -9.490 -13.648 -6.519 1.00 0.00 O ATOM 87 CB LEU A 140 -9.037 -11.704 -4.451 1.00 0.00 C ATOM 88 CG LEU A 140 -8.590 -10.806 -3.294 1.00 0.00 C ATOM 89 CD1 LEU A 140 -9.550 -9.629 -3.111 1.00 0.00 C ATOM 90 CD2 LEU A 140 -8.421 -11.615 -2.007 1.00 0.00 C ATOM 0 H LEU A 140 -7.446 -10.329 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.406 -13.009 -4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -9.710 -11.132 -5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -9.614 -12.532 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 140 -7.614 -10.389 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -9.210 -9.007 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -9.576 -9.035 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -10.550 -10.005 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -8.103 -10.954 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -9.371 -12.080 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -7.669 -12.389 -2.160 1.00 0.00 H new ATOM 102 N PHE A 141 -7.647 -12.943 -7.624 1.00 0.00 N ATOM 103 CA PHE A 141 -8.004 -13.603 -8.868 1.00 0.00 C ATOM 104 C PHE A 141 -6.772 -14.214 -9.538 1.00 0.00 C ATOM 105 O PHE A 141 -5.663 -13.703 -9.391 1.00 0.00 O ATOM 106 CB PHE A 141 -8.592 -12.532 -9.790 1.00 0.00 C ATOM 107 CG PHE A 141 -10.015 -12.108 -9.422 1.00 0.00 C ATOM 108 CD1 PHE A 141 -10.222 -11.236 -8.399 1.00 0.00 C ATOM 109 CD2 PHE A 141 -11.074 -12.603 -10.119 1.00 0.00 C ATOM 110 CE1 PHE A 141 -11.543 -10.843 -8.057 1.00 0.00 C ATOM 111 CE2 PHE A 141 -12.394 -12.210 -9.777 1.00 0.00 C ATOM 112 CZ PHE A 141 -12.601 -11.338 -8.754 1.00 0.00 C ATOM 0 H PHE A 141 -6.767 -12.427 -7.652 1.00 0.00 H new ATOM 0 HA PHE A 141 -8.714 -14.406 -8.672 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -7.946 -11.655 -9.769 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.589 -12.907 -10.814 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.382 -10.842 -7.847 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -10.910 -13.295 -10.932 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -11.708 -10.151 -7.244 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -13.235 -12.604 -10.329 1.00 0.00 H new ATOM 0 HZ PHE A 141 -13.606 -11.038 -8.495 1.00 0.00 H new ATOM 122 N ASP A 142 -7.008 -15.301 -10.259 1.00 0.00 N ATOM 123 CA ASP A 142 -5.931 -15.988 -10.951 1.00 0.00 C ATOM 124 C ASP A 142 -5.717 -15.342 -12.322 1.00 0.00 C ATOM 125 O ASP A 142 -6.667 -15.166 -13.083 1.00 0.00 O ATOM 126 CB ASP A 142 -6.272 -17.464 -11.173 1.00 0.00 C ATOM 127 CG ASP A 142 -7.765 -17.770 -11.304 1.00 0.00 C ATOM 128 OD1 ASP A 142 -8.278 -17.618 -12.433 1.00 0.00 O ATOM 129 OD2 ASP A 142 -8.359 -18.149 -10.272 1.00 0.00 O ATOM 0 H ASP A 142 -7.929 -15.722 -10.379 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.034 -15.913 -10.337 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -5.766 -17.807 -12.075 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -5.869 -18.043 -10.342 1.00 0.00 H new ATOM 134 N PHE A 143 -4.465 -15.004 -12.592 1.00 0.00 N ATOM 135 CA PHE A 143 -4.115 -14.381 -13.857 1.00 0.00 C ATOM 136 C PHE A 143 -2.751 -14.869 -14.350 1.00 0.00 C ATOM 137 O PHE A 143 -1.815 -15.008 -13.563 1.00 0.00 O ATOM 138 CB PHE A 143 -4.044 -12.874 -13.608 1.00 0.00 C ATOM 139 CG PHE A 143 -4.772 -12.034 -14.659 1.00 0.00 C ATOM 140 CD1 PHE A 143 -6.125 -11.905 -14.609 1.00 0.00 C ATOM 141 CD2 PHE A 143 -4.067 -11.416 -15.645 1.00 0.00 C ATOM 142 CE1 PHE A 143 -6.801 -11.126 -15.585 1.00 0.00 C ATOM 143 CE2 PHE A 143 -4.743 -10.637 -16.621 1.00 0.00 C ATOM 144 CZ PHE A 143 -6.096 -10.509 -16.570 1.00 0.00 C ATOM 0 H PHE A 143 -3.681 -15.150 -11.957 1.00 0.00 H new ATOM 0 HA PHE A 143 -4.857 -14.634 -14.614 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -4.468 -12.658 -12.628 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -2.998 -12.570 -13.576 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -6.685 -12.395 -13.827 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -2.993 -11.518 -15.685 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -7.875 -11.024 -15.545 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -4.183 -10.146 -17.403 1.00 0.00 H new ATOM 0 HZ PHE A 143 -6.611 -9.917 -17.312 1.00 0.00 H new ATOM 154 N ASN A 144 -2.681 -15.117 -15.649 1.00 0.00 N ATOM 155 CA ASN A 144 -1.447 -15.586 -16.256 1.00 0.00 C ATOM 156 C ASN A 144 -0.939 -14.537 -17.247 1.00 0.00 C ATOM 157 O ASN A 144 0.267 -14.378 -17.424 1.00 0.00 O ATOM 158 CB ASN A 144 -1.673 -16.891 -17.024 1.00 0.00 C ATOM 159 CG ASN A 144 -0.557 -17.897 -16.734 1.00 0.00 C ATOM 160 OD1 ASN A 144 0.309 -17.681 -15.904 1.00 0.00 O ATOM 161 ND2 ASN A 144 -0.627 -19.007 -17.465 1.00 0.00 N ATOM 0 H ASN A 144 -3.459 -15.002 -16.299 1.00 0.00 H new ATOM 0 HA ASN A 144 -0.723 -15.756 -15.459 1.00 0.00 H new ATOM 0 HB2 ASN A 144 -2.636 -17.320 -16.745 1.00 0.00 H new ATOM 0 HB3 ASN A 144 -1.714 -16.686 -18.094 1.00 0.00 H new ATOM 0 HD21 ASN A 144 0.072 -19.740 -17.347 1.00 0.00 H new ATOM 0 HD22 ASN A 144 -1.380 -19.124 -18.143 1.00 0.00 H new ATOM 168 N GLY A 145 -1.886 -13.848 -17.866 1.00 0.00 N ATOM 169 CA GLY A 145 -1.549 -12.818 -18.834 1.00 0.00 C ATOM 170 C GLY A 145 -2.726 -12.541 -19.773 1.00 0.00 C ATOM 171 O GLY A 145 -3.269 -13.463 -20.380 1.00 0.00 O ATOM 0 H GLY A 145 -2.886 -13.983 -17.716 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -1.271 -11.902 -18.313 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -0.681 -13.130 -19.415 1.00 0.00 H new ATOM 175 N ASN A 146 -3.084 -11.269 -19.862 1.00 0.00 N ATOM 176 CA ASN A 146 -4.186 -10.860 -20.717 1.00 0.00 C ATOM 177 C ASN A 146 -3.785 -9.604 -21.492 1.00 0.00 C ATOM 178 O ASN A 146 -4.608 -9.011 -22.187 1.00 0.00 O ATOM 179 CB ASN A 146 -5.430 -10.529 -19.890 1.00 0.00 C ATOM 180 CG ASN A 146 -6.691 -10.573 -20.756 1.00 0.00 C ATOM 181 OD1 ASN A 146 -6.705 -10.152 -21.900 1.00 0.00 O ATOM 182 ND2 ASN A 146 -7.747 -11.106 -20.147 1.00 0.00 N ATOM 0 H ASN A 146 -2.631 -10.508 -19.356 1.00 0.00 H new ATOM 0 HA ASN A 146 -4.412 -11.684 -21.394 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -5.524 -11.238 -19.068 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -5.323 -9.539 -19.446 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -8.636 -11.181 -20.641 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -7.667 -11.440 -19.186 1.00 0.00 H new ATOM 189 N ASP A 147 -2.520 -9.237 -21.348 1.00 0.00 N ATOM 190 CA ASP A 147 -2.001 -8.061 -22.027 1.00 0.00 C ATOM 191 C ASP A 147 -0.657 -8.404 -22.673 1.00 0.00 C ATOM 192 O ASP A 147 -0.199 -7.701 -23.573 1.00 0.00 O ATOM 193 CB ASP A 147 -1.772 -6.913 -21.042 1.00 0.00 C ATOM 194 CG ASP A 147 -2.703 -5.712 -21.222 1.00 0.00 C ATOM 195 OD1 ASP A 147 -2.671 -5.130 -22.328 1.00 0.00 O ATOM 196 OD2 ASP A 147 -3.426 -5.405 -20.250 1.00 0.00 O ATOM 0 H ASP A 147 -1.840 -9.732 -20.772 1.00 0.00 H new ATOM 0 HA ASP A 147 -2.731 -7.754 -22.776 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -1.889 -7.295 -20.028 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -0.741 -6.572 -21.138 1.00 0.00 H new ATOM 201 N GLU A 148 -0.062 -9.486 -22.191 1.00 0.00 N ATOM 202 CA GLU A 148 1.219 -9.930 -22.711 1.00 0.00 C ATOM 203 C GLU A 148 2.363 -9.264 -21.944 1.00 0.00 C ATOM 204 O GLU A 148 3.481 -9.777 -21.921 1.00 0.00 O ATOM 205 CB GLU A 148 1.329 -9.652 -24.211 1.00 0.00 C ATOM 206 CG GLU A 148 2.190 -8.415 -24.477 1.00 0.00 C ATOM 207 CD GLU A 148 1.917 -7.848 -25.872 1.00 0.00 C ATOM 208 OE1 GLU A 148 0.751 -7.471 -26.114 1.00 0.00 O ATOM 209 OE2 GLU A 148 2.883 -7.804 -26.665 1.00 0.00 O ATOM 0 H GLU A 148 -0.444 -10.068 -21.446 1.00 0.00 H new ATOM 0 HA GLU A 148 1.292 -11.008 -22.569 1.00 0.00 H new ATOM 0 HB2 GLU A 148 1.762 -10.516 -24.714 1.00 0.00 H new ATOM 0 HB3 GLU A 148 0.334 -9.504 -24.631 1.00 0.00 H new ATOM 0 HG2 GLU A 148 1.983 -7.654 -23.724 1.00 0.00 H new ATOM 0 HG3 GLU A 148 3.245 -8.675 -24.386 1.00 0.00 H new ATOM 216 N GLU A 149 2.044 -8.131 -21.335 1.00 0.00 N ATOM 217 CA GLU A 149 3.030 -7.389 -20.569 1.00 0.00 C ATOM 218 C GLU A 149 2.522 -7.138 -19.149 1.00 0.00 C ATOM 219 O GLU A 149 3.171 -6.448 -18.365 1.00 0.00 O ATOM 220 CB GLU A 149 3.388 -6.074 -21.263 1.00 0.00 C ATOM 221 CG GLU A 149 4.287 -6.321 -22.477 1.00 0.00 C ATOM 222 CD GLU A 149 4.117 -5.213 -23.520 1.00 0.00 C ATOM 223 OE1 GLU A 149 3.155 -5.321 -24.311 1.00 0.00 O ATOM 224 OE2 GLU A 149 4.952 -4.285 -23.501 1.00 0.00 O ATOM 0 H GLU A 149 1.116 -7.709 -21.357 1.00 0.00 H new ATOM 0 HA GLU A 149 3.938 -7.989 -20.508 1.00 0.00 H new ATOM 0 HB2 GLU A 149 2.477 -5.565 -21.578 1.00 0.00 H new ATOM 0 HB3 GLU A 149 3.895 -5.414 -20.559 1.00 0.00 H new ATOM 0 HG2 GLU A 149 5.328 -6.369 -22.159 1.00 0.00 H new ATOM 0 HG3 GLU A 149 4.045 -7.286 -22.923 1.00 0.00 H new ATOM 231 N ASP A 150 1.363 -7.714 -18.859 1.00 0.00 N ATOM 232 CA ASP A 150 0.759 -7.561 -17.546 1.00 0.00 C ATOM 233 C ASP A 150 1.444 -8.511 -16.562 1.00 0.00 C ATOM 234 O ASP A 150 2.071 -9.487 -16.968 1.00 0.00 O ATOM 235 CB ASP A 150 -0.730 -7.909 -17.582 1.00 0.00 C ATOM 236 CG ASP A 150 -1.059 -9.283 -18.167 1.00 0.00 C ATOM 237 OD1 ASP A 150 -0.354 -9.678 -19.120 1.00 0.00 O ATOM 238 OD2 ASP A 150 -2.009 -9.909 -17.648 1.00 0.00 O ATOM 0 H ASP A 150 0.827 -8.287 -19.511 1.00 0.00 H new ATOM 0 HA ASP A 150 0.879 -6.523 -17.237 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -1.124 -7.859 -16.567 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -1.251 -7.149 -18.164 1.00 0.00 H new ATOM 243 N LEU A 151 1.300 -8.191 -15.283 1.00 0.00 N ATOM 244 CA LEU A 151 1.896 -9.003 -14.237 1.00 0.00 C ATOM 245 C LEU A 151 0.885 -10.053 -13.774 1.00 0.00 C ATOM 246 O LEU A 151 -0.147 -9.714 -13.195 1.00 0.00 O ATOM 247 CB LEU A 151 2.425 -8.118 -13.106 1.00 0.00 C ATOM 248 CG LEU A 151 3.697 -8.607 -12.411 1.00 0.00 C ATOM 249 CD1 LEU A 151 4.896 -8.555 -13.362 1.00 0.00 C ATOM 250 CD2 LEU A 151 3.953 -7.823 -11.123 1.00 0.00 C ATOM 0 H LEU A 151 0.779 -7.380 -14.949 1.00 0.00 H new ATOM 0 HA LEU A 151 2.763 -9.541 -14.621 1.00 0.00 H new ATOM 0 HB2 LEU A 151 2.614 -7.123 -13.508 1.00 0.00 H new ATOM 0 HB3 LEU A 151 1.641 -8.015 -12.355 1.00 0.00 H new ATOM 0 HG LEU A 151 3.554 -9.650 -12.130 1.00 0.00 H new ATOM 0 HD11 LEU A 151 5.787 -8.908 -12.843 1.00 0.00 H new ATOM 0 HD12 LEU A 151 4.703 -9.191 -14.226 1.00 0.00 H new ATOM 0 HD13 LEU A 151 5.052 -7.529 -13.695 1.00 0.00 H new ATOM 0 HD21 LEU A 151 4.863 -8.190 -10.648 1.00 0.00 H new ATOM 0 HD22 LEU A 151 4.068 -6.765 -11.358 1.00 0.00 H new ATOM 0 HD23 LEU A 151 3.111 -7.955 -10.444 1.00 0.00 H new ATOM 262 N PRO A 152 1.224 -11.340 -14.052 1.00 0.00 N ATOM 263 CA PRO A 152 0.357 -12.442 -13.669 1.00 0.00 C ATOM 264 C PRO A 152 0.440 -12.709 -12.165 1.00 0.00 C ATOM 265 O PRO A 152 1.285 -12.140 -11.475 1.00 0.00 O ATOM 266 CB PRO A 152 0.825 -13.620 -14.507 1.00 0.00 C ATOM 267 CG PRO A 152 2.224 -13.264 -14.982 1.00 0.00 C ATOM 268 CD PRO A 152 2.437 -11.780 -14.735 1.00 0.00 C ATOM 0 HA PRO A 152 -0.696 -12.231 -13.854 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.834 -14.538 -13.920 1.00 0.00 H new ATOM 0 HB3 PRO A 152 0.157 -13.788 -15.352 1.00 0.00 H new ATOM 0 HG2 PRO A 152 2.970 -13.851 -14.446 1.00 0.00 H new ATOM 0 HG3 PRO A 152 2.338 -13.495 -16.041 1.00 0.00 H new ATOM 0 HD2 PRO A 152 3.322 -11.603 -14.124 1.00 0.00 H new ATOM 0 HD3 PRO A 152 2.583 -11.240 -15.670 1.00 0.00 H new ATOM 276 N PHE A 153 -0.449 -13.574 -11.699 1.00 0.00 N ATOM 277 CA PHE A 153 -0.487 -13.923 -10.289 1.00 0.00 C ATOM 278 C PHE A 153 -1.497 -15.042 -10.028 1.00 0.00 C ATOM 279 O PHE A 153 -2.162 -15.510 -10.951 1.00 0.00 O ATOM 280 CB PHE A 153 -0.925 -12.670 -9.530 1.00 0.00 C ATOM 281 CG PHE A 153 -2.052 -11.891 -10.212 1.00 0.00 C ATOM 282 CD1 PHE A 153 -3.348 -12.234 -9.987 1.00 0.00 C ATOM 283 CD2 PHE A 153 -1.757 -10.856 -11.043 1.00 0.00 C ATOM 284 CE1 PHE A 153 -4.395 -11.512 -10.619 1.00 0.00 C ATOM 285 CE2 PHE A 153 -2.803 -10.133 -11.676 1.00 0.00 C ATOM 286 CZ PHE A 153 -4.100 -10.477 -11.450 1.00 0.00 C ATOM 0 H PHE A 153 -1.149 -14.044 -12.273 1.00 0.00 H new ATOM 0 HA PHE A 153 0.494 -14.273 -9.966 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -1.250 -12.958 -8.530 1.00 0.00 H new ATOM 0 HB3 PHE A 153 -0.065 -12.012 -9.408 1.00 0.00 H new ATOM 0 HD1 PHE A 153 -3.582 -13.056 -9.327 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -0.727 -10.584 -11.222 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -5.424 -11.785 -10.440 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -2.569 -9.311 -12.336 1.00 0.00 H new ATOM 0 HZ PHE A 153 -4.896 -9.928 -11.931 1.00 0.00 H new ATOM 296 N LYS A 154 -1.579 -15.439 -8.767 1.00 0.00 N ATOM 297 CA LYS A 154 -2.497 -16.494 -8.373 1.00 0.00 C ATOM 298 C LYS A 154 -3.506 -15.937 -7.367 1.00 0.00 C ATOM 299 O LYS A 154 -3.133 -15.212 -6.445 1.00 0.00 O ATOM 300 CB LYS A 154 -1.725 -17.712 -7.860 1.00 0.00 C ATOM 301 CG LYS A 154 -2.088 -18.019 -6.406 1.00 0.00 C ATOM 302 CD LYS A 154 -1.634 -19.427 -6.013 1.00 0.00 C ATOM 303 CE LYS A 154 -1.295 -19.497 -4.524 1.00 0.00 C ATOM 304 NZ LYS A 154 0.157 -19.295 -4.313 1.00 0.00 N ATOM 0 H LYS A 154 -1.025 -15.049 -8.005 1.00 0.00 H new ATOM 0 HA LYS A 154 -3.066 -16.845 -9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.947 -18.577 -8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -0.654 -17.528 -7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -1.621 -17.286 -5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -3.166 -17.929 -6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -2.421 -20.145 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -0.761 -19.709 -6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -1.857 -18.737 -3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -1.596 -20.464 -4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 0.370 -19.346 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 0.687 -20.035 -4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 0.434 -18.362 -4.679 1.00 0.00 H new ATOM 318 N LYS A 155 -4.764 -16.298 -7.577 1.00 0.00 N ATOM 319 CA LYS A 155 -5.828 -15.843 -6.699 1.00 0.00 C ATOM 320 C LYS A 155 -5.362 -15.940 -5.245 1.00 0.00 C ATOM 321 O LYS A 155 -5.239 -17.036 -4.699 1.00 0.00 O ATOM 322 CB LYS A 155 -7.121 -16.613 -6.982 1.00 0.00 C ATOM 323 CG LYS A 155 -8.284 -16.050 -6.161 1.00 0.00 C ATOM 324 CD LYS A 155 -8.820 -17.097 -5.182 1.00 0.00 C ATOM 325 CE LYS A 155 -8.211 -16.909 -3.791 1.00 0.00 C ATOM 326 NZ LYS A 155 -9.039 -17.583 -2.767 1.00 0.00 N ATOM 0 H LYS A 155 -5.070 -16.900 -8.342 1.00 0.00 H new ATOM 0 HA LYS A 155 -6.058 -14.795 -6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -7.359 -16.554 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -6.980 -17.667 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -7.953 -15.169 -5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -9.083 -15.728 -6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -9.906 -17.021 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -8.591 -18.097 -5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -7.199 -17.314 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -8.133 -15.846 -3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -8.611 -17.445 -1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -9.997 -17.178 -2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -9.092 -18.600 -2.978 1.00 0.00 H new ATOM 340 N GLY A 156 -5.114 -14.778 -4.658 1.00 0.00 N ATOM 341 CA GLY A 156 -4.663 -14.717 -3.278 1.00 0.00 C ATOM 342 C GLY A 156 -3.175 -14.373 -3.202 1.00 0.00 C ATOM 343 O GLY A 156 -2.468 -14.848 -2.315 1.00 0.00 O ATOM 0 H GLY A 156 -5.217 -13.871 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.241 -13.969 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.844 -15.675 -2.790 1.00 0.00 H new ATOM 347 N ASP A 157 -2.743 -13.548 -4.145 1.00 0.00 N ATOM 348 CA ASP A 157 -1.351 -13.134 -4.195 1.00 0.00 C ATOM 349 C ASP A 157 -1.249 -11.656 -3.815 1.00 0.00 C ATOM 350 O ASP A 157 -2.263 -10.998 -3.589 1.00 0.00 O ATOM 351 CB ASP A 157 -0.778 -13.300 -5.604 1.00 0.00 C ATOM 352 CG ASP A 157 0.746 -13.417 -5.673 1.00 0.00 C ATOM 353 OD1 ASP A 157 1.388 -13.083 -4.655 1.00 0.00 O ATOM 354 OD2 ASP A 157 1.235 -13.838 -6.744 1.00 0.00 O ATOM 0 H ASP A 157 -3.332 -13.156 -4.880 1.00 0.00 H new ATOM 0 HA ASP A 157 -0.788 -13.758 -3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 157 -1.216 -14.190 -6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 157 -1.090 -12.449 -6.209 1.00 0.00 H new ATOM 359 N ILE A 158 -0.015 -11.177 -3.755 1.00 0.00 N ATOM 360 CA ILE A 158 0.233 -9.788 -3.405 1.00 0.00 C ATOM 361 C ILE A 158 1.209 -9.179 -4.414 1.00 0.00 C ATOM 362 O ILE A 158 2.073 -9.874 -4.945 1.00 0.00 O ATOM 363 CB ILE A 158 0.701 -9.676 -1.953 1.00 0.00 C ATOM 364 CG1 ILE A 158 -0.436 -10.006 -0.984 1.00 0.00 C ATOM 365 CG2 ILE A 158 1.309 -8.299 -1.677 1.00 0.00 C ATOM 366 CD1 ILE A 158 0.112 -10.418 0.385 1.00 0.00 C ATOM 0 H ILE A 158 0.824 -11.726 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 158 -0.689 -9.210 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 158 1.487 -10.413 -1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 158 -1.087 -9.139 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 158 -1.045 -10.812 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 158 1.633 -8.246 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 158 2.165 -8.141 -2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 158 0.562 -7.527 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 158 -0.717 -10.647 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 158 0.743 -11.300 0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 158 0.700 -9.601 0.802 1.00 0.00 H new ATOM 378 N LEU A 159 1.036 -7.886 -4.649 1.00 0.00 N ATOM 379 CA LEU A 159 1.890 -7.174 -5.584 1.00 0.00 C ATOM 380 C LEU A 159 2.113 -5.747 -5.083 1.00 0.00 C ATOM 381 O LEU A 159 1.189 -5.112 -4.576 1.00 0.00 O ATOM 382 CB LEU A 159 1.312 -7.246 -7.000 1.00 0.00 C ATOM 383 CG LEU A 159 0.715 -8.593 -7.413 1.00 0.00 C ATOM 384 CD1 LEU A 159 -0.375 -8.409 -8.469 1.00 0.00 C ATOM 385 CD2 LEU A 159 1.809 -9.556 -7.879 1.00 0.00 C ATOM 0 H LEU A 159 0.317 -7.313 -4.208 1.00 0.00 H new ATOM 0 HA LEU A 159 2.870 -7.648 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.538 -6.484 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.101 -6.989 -7.707 1.00 0.00 H new ATOM 0 HG LEU A 159 0.242 -9.041 -6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -0.782 -9.382 -8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.171 -7.783 -8.065 1.00 0.00 H new ATOM 0 HD13 LEU A 159 0.050 -7.930 -9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 159 1.359 -10.506 -8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 159 2.331 -9.127 -8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.518 -9.722 -7.068 1.00 0.00 H new ATOM 397 N ARG A 160 3.343 -5.283 -5.241 1.00 0.00 N ATOM 398 CA ARG A 160 3.699 -3.942 -4.810 1.00 0.00 C ATOM 399 C ARG A 160 3.382 -2.928 -5.912 1.00 0.00 C ATOM 400 O ARG A 160 4.173 -2.741 -6.834 1.00 0.00 O ATOM 401 CB ARG A 160 5.184 -3.852 -4.457 1.00 0.00 C ATOM 402 CG ARG A 160 5.580 -2.415 -4.110 1.00 0.00 C ATOM 403 CD ARG A 160 6.910 -2.379 -3.354 1.00 0.00 C ATOM 404 NE ARG A 160 7.677 -1.171 -3.735 1.00 0.00 N ATOM 405 CZ ARG A 160 8.568 -1.132 -4.735 1.00 0.00 C ATOM 406 NH1 ARG A 160 8.812 -2.232 -5.459 1.00 0.00 N ATOM 407 NH2 ARG A 160 9.216 0.009 -5.008 1.00 0.00 N ATOM 0 H ARG A 160 4.107 -5.812 -5.662 1.00 0.00 H new ATOM 0 HA ARG A 160 3.112 -3.714 -3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 160 5.401 -4.507 -3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.783 -4.205 -5.296 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.661 -1.826 -5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 160 4.800 -1.956 -3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 160 6.727 -2.380 -2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 160 7.490 -3.274 -3.579 1.00 0.00 H new ATOM 0 HE ARG A 160 7.517 -0.315 -3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 160 8.319 -3.100 -5.249 1.00 0.00 H new ATOM 0 HH12 ARG A 160 9.490 -2.202 -6.220 1.00 0.00 H new ATOM 0 HH21 ARG A 160 9.031 0.846 -4.455 1.00 0.00 H new ATOM 0 HH22 ARG A 160 9.895 0.041 -5.769 1.00 0.00 H new ATOM 421 N ILE A 161 2.222 -2.301 -5.779 1.00 0.00 N ATOM 422 CA ILE A 161 1.791 -1.313 -6.753 1.00 0.00 C ATOM 423 C ILE A 161 2.434 0.036 -6.423 1.00 0.00 C ATOM 424 O ILE A 161 2.235 0.574 -5.334 1.00 0.00 O ATOM 425 CB ILE A 161 0.263 -1.263 -6.824 1.00 0.00 C ATOM 426 CG1 ILE A 161 -0.203 -0.429 -8.020 1.00 0.00 C ATOM 427 CG2 ILE A 161 -0.333 -0.759 -5.508 1.00 0.00 C ATOM 428 CD1 ILE A 161 -0.260 1.058 -7.662 1.00 0.00 C ATOM 0 H ILE A 161 1.568 -2.458 -5.012 1.00 0.00 H new ATOM 0 HA ILE A 161 2.126 -1.592 -7.752 1.00 0.00 H new ATOM 0 HB ILE A 161 -0.104 -2.278 -6.975 1.00 0.00 H new ATOM 0 HG12 ILE A 161 0.476 -0.579 -8.859 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -1.188 -0.767 -8.342 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -1.420 -0.734 -5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -0.044 -1.428 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 161 0.039 0.244 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -0.594 1.628 -8.529 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -0.958 1.207 -6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 161 0.731 1.399 -7.363 1.00 0.00 H new ATOM 440 N ARG A 162 3.194 0.544 -7.382 1.00 0.00 N ATOM 441 CA ARG A 162 3.868 1.818 -7.208 1.00 0.00 C ATOM 442 C ARG A 162 3.373 2.828 -8.244 1.00 0.00 C ATOM 443 O ARG A 162 3.478 4.036 -8.040 1.00 0.00 O ATOM 444 CB ARG A 162 5.385 1.663 -7.341 1.00 0.00 C ATOM 445 CG ARG A 162 5.754 1.027 -8.684 1.00 0.00 C ATOM 446 CD ARG A 162 6.693 1.934 -9.480 1.00 0.00 C ATOM 447 NE ARG A 162 8.093 1.489 -9.310 1.00 0.00 N ATOM 448 CZ ARG A 162 8.942 2.007 -8.412 1.00 0.00 C ATOM 449 NH1 ARG A 162 8.539 2.992 -7.598 1.00 0.00 N ATOM 450 NH2 ARG A 162 10.195 1.540 -8.327 1.00 0.00 N ATOM 0 H ARG A 162 3.358 0.095 -8.283 1.00 0.00 H new ATOM 0 HA ARG A 162 3.638 2.179 -6.206 1.00 0.00 H new ATOM 0 HB2 ARG A 162 5.863 2.638 -7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 162 5.764 1.047 -6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 162 6.232 0.062 -8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 162 4.849 0.838 -9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 162 6.422 1.914 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 162 6.587 2.965 -9.143 1.00 0.00 H new ATOM 0 HE ARG A 162 8.434 0.741 -9.914 1.00 0.00 H new ATOM 0 HH11 ARG A 162 7.585 3.348 -7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 162 9.186 3.386 -6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 162 10.503 0.790 -8.946 1.00 0.00 H new ATOM 0 HH22 ARG A 162 10.841 1.935 -7.643 1.00 0.00 H new ATOM 464 N ASP A 163 2.843 2.295 -9.336 1.00 0.00 N ATOM 465 CA ASP A 163 2.331 3.134 -10.406 1.00 0.00 C ATOM 466 C ASP A 163 0.856 2.806 -10.643 1.00 0.00 C ATOM 467 O ASP A 163 0.469 1.638 -10.655 1.00 0.00 O ATOM 468 CB ASP A 163 3.087 2.884 -11.712 1.00 0.00 C ATOM 469 CG ASP A 163 4.014 4.020 -12.150 1.00 0.00 C ATOM 470 OD1 ASP A 163 3.476 5.035 -12.642 1.00 0.00 O ATOM 471 OD2 ASP A 163 5.241 3.847 -11.982 1.00 0.00 O ATOM 0 H ASP A 163 2.757 1.292 -9.502 1.00 0.00 H new ATOM 0 HA ASP A 163 2.459 4.175 -10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 163 3.678 1.974 -11.604 1.00 0.00 H new ATOM 0 HB3 ASP A 163 2.362 2.701 -12.505 1.00 0.00 H new ATOM 476 N LYS A 164 0.071 3.858 -10.827 1.00 0.00 N ATOM 477 CA LYS A 164 -1.354 3.696 -11.064 1.00 0.00 C ATOM 478 C LYS A 164 -1.845 4.819 -11.980 1.00 0.00 C ATOM 479 O LYS A 164 -2.622 5.674 -11.558 1.00 0.00 O ATOM 480 CB LYS A 164 -2.111 3.610 -9.737 1.00 0.00 C ATOM 481 CG LYS A 164 -1.754 4.784 -8.824 1.00 0.00 C ATOM 482 CD LYS A 164 -2.766 4.921 -7.686 1.00 0.00 C ATOM 483 CE LYS A 164 -2.151 4.496 -6.351 1.00 0.00 C ATOM 484 NZ LYS A 164 -2.583 3.126 -5.994 1.00 0.00 N ATOM 0 H LYS A 164 0.395 4.825 -10.817 1.00 0.00 H new ATOM 0 HA LYS A 164 -1.550 2.755 -11.578 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -3.184 3.606 -9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -1.872 2.671 -9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -0.756 4.638 -8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -1.728 5.706 -9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -3.107 5.954 -7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -3.642 4.308 -7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -1.064 4.535 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -2.449 5.193 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -1.770 2.589 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -3.321 3.174 -5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -2.962 2.651 -6.838 1.00 0.00 H new ATOM 498 N PRO A 165 -1.358 4.779 -13.250 1.00 0.00 N ATOM 499 CA PRO A 165 -1.740 5.783 -14.229 1.00 0.00 C ATOM 500 C PRO A 165 -3.165 5.546 -14.731 1.00 0.00 C ATOM 501 O PRO A 165 -3.918 6.495 -14.945 1.00 0.00 O ATOM 502 CB PRO A 165 -0.697 5.674 -15.329 1.00 0.00 C ATOM 503 CG PRO A 165 -0.047 4.312 -15.154 1.00 0.00 C ATOM 504 CD PRO A 165 -0.437 3.781 -13.784 1.00 0.00 C ATOM 0 HA PRO A 165 -1.759 6.790 -13.813 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -1.157 5.764 -16.313 1.00 0.00 H new ATOM 0 HB3 PRO A 165 0.041 6.472 -15.248 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -0.377 3.628 -15.936 1.00 0.00 H new ATOM 0 HG3 PRO A 165 1.037 4.393 -15.238 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -0.912 2.803 -13.859 1.00 0.00 H new ATOM 0 HD3 PRO A 165 0.436 3.663 -13.142 1.00 0.00 H new ATOM 512 N GLU A 166 -3.494 4.274 -14.903 1.00 0.00 N ATOM 513 CA GLU A 166 -4.816 3.900 -15.375 1.00 0.00 C ATOM 514 C GLU A 166 -5.778 3.747 -14.195 1.00 0.00 C ATOM 515 O GLU A 166 -5.373 3.868 -13.040 1.00 0.00 O ATOM 516 CB GLU A 166 -4.759 2.616 -16.205 1.00 0.00 C ATOM 517 CG GLU A 166 -3.732 2.737 -17.332 1.00 0.00 C ATOM 518 CD GLU A 166 -4.288 3.560 -18.496 1.00 0.00 C ATOM 519 OE1 GLU A 166 -5.071 4.492 -18.209 1.00 0.00 O ATOM 520 OE2 GLU A 166 -3.918 3.240 -19.646 1.00 0.00 O ATOM 0 H GLU A 166 -2.867 3.489 -14.724 1.00 0.00 H new ATOM 0 HA GLU A 166 -5.188 4.695 -16.021 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -4.501 1.774 -15.562 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -5.743 2.407 -16.625 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -2.824 3.205 -16.952 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -3.455 1.743 -17.684 1.00 0.00 H new ATOM 527 N GLU A 167 -7.034 3.483 -14.527 1.00 0.00 N ATOM 528 CA GLU A 167 -8.056 3.314 -13.508 1.00 0.00 C ATOM 529 C GLU A 167 -8.569 1.872 -13.507 1.00 0.00 C ATOM 530 O GLU A 167 -9.777 1.639 -13.494 1.00 0.00 O ATOM 531 CB GLU A 167 -9.205 4.303 -13.714 1.00 0.00 C ATOM 532 CG GLU A 167 -9.960 4.006 -15.012 1.00 0.00 C ATOM 533 CD GLU A 167 -10.689 5.252 -15.519 1.00 0.00 C ATOM 534 OE1 GLU A 167 -11.797 5.511 -15.000 1.00 0.00 O ATOM 535 OE2 GLU A 167 -10.123 5.915 -16.414 1.00 0.00 O ATOM 0 H GLU A 167 -7.366 3.382 -15.486 1.00 0.00 H new ATOM 0 HA GLU A 167 -7.610 3.523 -12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -9.892 4.249 -12.869 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -8.813 5.320 -13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -9.261 3.655 -15.771 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -10.678 3.203 -14.844 1.00 0.00 H new ATOM 542 N GLN A 168 -7.625 0.943 -13.520 1.00 0.00 N ATOM 543 CA GLN A 168 -7.965 -0.471 -13.520 1.00 0.00 C ATOM 544 C GLN A 168 -6.704 -1.321 -13.676 1.00 0.00 C ATOM 545 O GLN A 168 -6.615 -2.414 -13.120 1.00 0.00 O ATOM 546 CB GLN A 168 -8.982 -0.789 -14.618 1.00 0.00 C ATOM 547 CG GLN A 168 -10.399 -0.873 -14.048 1.00 0.00 C ATOM 548 CD GLN A 168 -11.119 -2.125 -14.552 1.00 0.00 C ATOM 549 OE1 GLN A 168 -10.527 -3.028 -15.119 1.00 0.00 O ATOM 550 NE2 GLN A 168 -12.427 -2.130 -14.313 1.00 0.00 N ATOM 0 H GLN A 168 -6.624 1.141 -13.531 1.00 0.00 H new ATOM 0 HA GLN A 168 -8.425 -0.714 -12.562 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -8.942 -0.020 -15.389 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.722 -1.733 -15.096 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -10.357 -0.887 -12.959 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -10.963 0.015 -14.334 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -12.861 -1.341 -13.833 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -12.997 -2.923 -14.609 1.00 0.00 H new ATOM 559 N TRP A 169 -5.759 -0.786 -14.436 1.00 0.00 N ATOM 560 CA TRP A 169 -4.506 -1.483 -14.673 1.00 0.00 C ATOM 561 C TRP A 169 -3.376 -0.635 -14.085 1.00 0.00 C ATOM 562 O TRP A 169 -3.000 0.387 -14.657 1.00 0.00 O ATOM 563 CB TRP A 169 -4.318 -1.782 -16.161 1.00 0.00 C ATOM 564 CG TRP A 169 -5.084 -3.013 -16.650 1.00 0.00 C ATOM 565 CD1 TRP A 169 -6.219 -3.048 -17.361 1.00 0.00 C ATOM 566 CD2 TRP A 169 -4.721 -4.393 -16.435 1.00 0.00 C ATOM 567 NE1 TRP A 169 -6.614 -4.345 -17.619 1.00 0.00 N ATOM 568 CE2 TRP A 169 -5.675 -5.188 -17.037 1.00 0.00 C ATOM 569 CE3 TRP A 169 -3.626 -4.950 -15.754 1.00 0.00 C ATOM 570 CZ2 TRP A 169 -5.628 -6.587 -17.019 1.00 0.00 C ATOM 571 CZ3 TRP A 169 -3.594 -6.350 -15.744 1.00 0.00 C ATOM 572 CH2 TRP A 169 -4.545 -7.165 -16.346 1.00 0.00 C ATOM 0 H TRP A 169 -5.836 0.121 -14.895 1.00 0.00 H new ATOM 0 HA TRP A 169 -4.505 -2.455 -14.180 1.00 0.00 H new ATOM 0 HB2 TRP A 169 -4.638 -0.915 -16.739 1.00 0.00 H new ATOM 0 HB3 TRP A 169 -3.256 -1.924 -16.361 1.00 0.00 H new ATOM 0 HD1 TRP A 169 -6.757 -2.172 -17.691 1.00 0.00 H new ATOM 0 HE1 TRP A 169 -7.442 -4.632 -18.141 1.00 0.00 H new ATOM 0 HE3 TRP A 169 -2.869 -4.346 -15.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 -6.386 -7.188 -17.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 -2.773 -6.830 -15.233 1.00 0.00 H new ATOM 0 HH2 TRP A 169 -4.449 -8.240 -16.295 1.00 0.00 H new ATOM 583 N TRP A 170 -2.865 -1.091 -12.951 1.00 0.00 N ATOM 584 CA TRP A 170 -1.785 -0.387 -12.279 1.00 0.00 C ATOM 585 C TRP A 170 -0.519 -1.236 -12.402 1.00 0.00 C ATOM 586 O TRP A 170 -0.591 -2.424 -12.714 1.00 0.00 O ATOM 587 CB TRP A 170 -2.155 -0.070 -10.829 1.00 0.00 C ATOM 588 CG TRP A 170 -3.337 0.890 -10.684 1.00 0.00 C ATOM 589 CD1 TRP A 170 -3.942 1.606 -11.642 1.00 0.00 C ATOM 590 CD2 TRP A 170 -4.038 1.213 -9.464 1.00 0.00 C ATOM 591 NE1 TRP A 170 -4.976 2.363 -11.131 1.00 0.00 N ATOM 592 CE2 TRP A 170 -5.036 2.117 -9.765 1.00 0.00 C ATOM 593 CE3 TRP A 170 -3.834 0.757 -8.149 1.00 0.00 C ATOM 594 CZ2 TRP A 170 -5.910 2.641 -8.805 1.00 0.00 C ATOM 595 CZ3 TRP A 170 -4.715 1.291 -7.202 1.00 0.00 C ATOM 596 CH2 TRP A 170 -5.726 2.201 -7.489 1.00 0.00 C ATOM 0 H TRP A 170 -3.179 -1.940 -12.480 1.00 0.00 H new ATOM 0 HA TRP A 170 -1.603 0.579 -12.750 1.00 0.00 H new ATOM 0 HB2 TRP A 170 -2.391 -1.001 -10.313 1.00 0.00 H new ATOM 0 HB3 TRP A 170 -1.287 0.360 -10.329 1.00 0.00 H new ATOM 0 HD1 TRP A 170 -3.656 1.592 -12.683 1.00 0.00 H new ATOM 0 HE1 TRP A 170 -5.585 2.988 -11.659 1.00 0.00 H new ATOM 0 HE3 TRP A 170 -3.059 0.051 -7.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 -6.685 3.347 -9.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 -4.602 0.974 -6.176 1.00 0.00 H new ATOM 0 HH2 TRP A 170 -6.367 2.567 -6.700 1.00 0.00 H new ATOM 607 N ASN A 171 0.613 -0.596 -12.149 1.00 0.00 N ATOM 608 CA ASN A 171 1.893 -1.277 -12.227 1.00 0.00 C ATOM 609 C ASN A 171 2.371 -1.618 -10.814 1.00 0.00 C ATOM 610 O ASN A 171 2.574 -0.726 -9.992 1.00 0.00 O ATOM 611 CB ASN A 171 2.951 -0.389 -12.883 1.00 0.00 C ATOM 612 CG ASN A 171 3.719 -1.156 -13.962 1.00 0.00 C ATOM 613 OD1 ASN A 171 4.383 -2.147 -13.701 1.00 0.00 O ATOM 614 ND2 ASN A 171 3.593 -0.645 -15.183 1.00 0.00 N ATOM 0 H ASN A 171 0.670 0.389 -11.889 1.00 0.00 H new ATOM 0 HA ASN A 171 1.759 -2.179 -12.825 1.00 0.00 H new ATOM 0 HB2 ASN A 171 2.474 0.486 -13.324 1.00 0.00 H new ATOM 0 HB3 ASN A 171 3.646 -0.025 -12.126 1.00 0.00 H new ATOM 0 HD21 ASN A 171 4.068 -1.085 -15.971 1.00 0.00 H new ATOM 0 HD22 ASN A 171 3.022 0.187 -15.331 1.00 0.00 H new ATOM 621 N ALA A 172 2.537 -2.910 -10.576 1.00 0.00 N ATOM 622 CA ALA A 172 2.988 -3.380 -9.276 1.00 0.00 C ATOM 623 C ALA A 172 4.042 -4.472 -9.471 1.00 0.00 C ATOM 624 O ALA A 172 4.218 -4.980 -10.577 1.00 0.00 O ATOM 625 CB ALA A 172 1.786 -3.869 -8.465 1.00 0.00 C ATOM 0 H ALA A 172 2.368 -3.647 -11.261 1.00 0.00 H new ATOM 0 HA ALA A 172 3.453 -2.569 -8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 172 2.124 -4.221 -7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 172 1.080 -3.049 -8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 172 1.296 -4.685 -8.996 1.00 0.00 H new ATOM 631 N GLU A 173 4.717 -4.800 -8.379 1.00 0.00 N ATOM 632 CA GLU A 173 5.749 -5.821 -8.415 1.00 0.00 C ATOM 633 C GLU A 173 5.190 -7.159 -7.923 1.00 0.00 C ATOM 634 O GLU A 173 4.176 -7.193 -7.229 1.00 0.00 O ATOM 635 CB GLU A 173 6.967 -5.399 -7.591 1.00 0.00 C ATOM 636 CG GLU A 173 7.362 -6.493 -6.596 1.00 0.00 C ATOM 637 CD GLU A 173 6.470 -6.451 -5.353 1.00 0.00 C ATOM 638 OE1 GLU A 173 5.382 -7.061 -5.414 1.00 0.00 O ATOM 639 OE2 GLU A 173 6.898 -5.808 -4.370 1.00 0.00 O ATOM 0 H GLU A 173 4.569 -4.376 -7.463 1.00 0.00 H new ATOM 0 HA GLU A 173 6.075 -5.944 -9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 173 7.805 -5.187 -8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 173 6.745 -4.477 -7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 173 7.282 -7.470 -7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 173 8.405 -6.365 -6.305 1.00 0.00 H new ATOM 646 N ASP A 174 5.878 -8.226 -8.302 1.00 0.00 N ATOM 647 CA ASP A 174 5.463 -9.561 -7.909 1.00 0.00 C ATOM 648 C ASP A 174 6.239 -9.985 -6.659 1.00 0.00 C ATOM 649 O ASP A 174 6.729 -9.139 -5.913 1.00 0.00 O ATOM 650 CB ASP A 174 5.755 -10.577 -9.014 1.00 0.00 C ATOM 651 CG ASP A 174 7.241 -10.833 -9.280 1.00 0.00 C ATOM 652 OD1 ASP A 174 8.055 -10.041 -8.759 1.00 0.00 O ATOM 653 OD2 ASP A 174 7.527 -11.815 -9.999 1.00 0.00 O ATOM 0 H ASP A 174 6.720 -8.193 -8.877 1.00 0.00 H new ATOM 0 HA ASP A 174 4.390 -9.537 -7.716 1.00 0.00 H new ATOM 0 HB2 ASP A 174 5.280 -11.522 -8.753 1.00 0.00 H new ATOM 0 HB3 ASP A 174 5.290 -10.231 -9.937 1.00 0.00 H new ATOM 658 N SER A 175 6.327 -11.293 -6.472 1.00 0.00 N ATOM 659 CA SER A 175 7.036 -11.838 -5.327 1.00 0.00 C ATOM 660 C SER A 175 8.528 -11.962 -5.643 1.00 0.00 C ATOM 661 O SER A 175 9.265 -12.633 -4.925 1.00 0.00 O ATOM 662 CB SER A 175 6.465 -13.200 -4.924 1.00 0.00 C ATOM 663 OG SER A 175 7.201 -13.793 -3.857 1.00 0.00 O ATOM 0 H SER A 175 5.919 -11.991 -7.094 1.00 0.00 H new ATOM 0 HA SER A 175 6.905 -11.155 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.424 -13.082 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 175 6.475 -13.867 -5.786 1.00 0.00 H new ATOM 0 HG SER A 175 8.159 -13.755 -4.060 1.00 0.00 H new ATOM 669 N GLU A 176 8.927 -11.300 -6.720 1.00 0.00 N ATOM 670 CA GLU A 176 10.317 -11.326 -7.140 1.00 0.00 C ATOM 671 C GLU A 176 10.775 -9.925 -7.549 1.00 0.00 C ATOM 672 O GLU A 176 11.937 -9.726 -7.901 1.00 0.00 O ATOM 673 CB GLU A 176 10.526 -12.325 -8.281 1.00 0.00 C ATOM 674 CG GLU A 176 10.353 -13.763 -7.790 1.00 0.00 C ATOM 675 CD GLU A 176 9.490 -14.573 -8.759 1.00 0.00 C ATOM 676 OE1 GLU A 176 8.373 -14.096 -9.059 1.00 0.00 O ATOM 677 OE2 GLU A 176 9.964 -15.651 -9.177 1.00 0.00 O ATOM 0 H GLU A 176 8.312 -10.743 -7.313 1.00 0.00 H new ATOM 0 HA GLU A 176 10.925 -11.654 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 176 9.814 -12.122 -9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 176 11.523 -12.198 -8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 176 11.330 -14.235 -7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 176 9.893 -13.761 -6.802 1.00 0.00 H new ATOM 684 N GLY A 177 9.839 -8.990 -7.486 1.00 0.00 N ATOM 685 CA GLY A 177 10.131 -7.613 -7.846 1.00 0.00 C ATOM 686 C GLY A 177 9.646 -7.299 -9.263 1.00 0.00 C ATOM 687 O GLY A 177 9.505 -6.134 -9.631 1.00 0.00 O ATOM 0 H GLY A 177 8.877 -9.159 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 177 9.651 -6.939 -7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 177 11.204 -7.436 -7.778 1.00 0.00 H new ATOM 691 N LYS A 178 9.403 -8.360 -10.017 1.00 0.00 N ATOM 692 CA LYS A 178 8.937 -8.213 -11.386 1.00 0.00 C ATOM 693 C LYS A 178 7.754 -7.244 -11.416 1.00 0.00 C ATOM 694 O LYS A 178 6.659 -7.580 -10.965 1.00 0.00 O ATOM 695 CB LYS A 178 8.625 -9.582 -11.996 1.00 0.00 C ATOM 696 CG LYS A 178 9.881 -10.454 -12.056 1.00 0.00 C ATOM 697 CD LYS A 178 10.034 -11.101 -13.433 1.00 0.00 C ATOM 698 CE LYS A 178 10.406 -12.580 -13.305 1.00 0.00 C ATOM 699 NZ LYS A 178 11.743 -12.727 -12.687 1.00 0.00 N ATOM 0 H LYS A 178 9.520 -9.325 -9.707 1.00 0.00 H new ATOM 0 HA LYS A 178 9.720 -7.782 -12.010 1.00 0.00 H new ATOM 0 HB2 LYS A 178 7.859 -10.082 -11.404 1.00 0.00 H new ATOM 0 HB3 LYS A 178 8.219 -9.453 -12.999 1.00 0.00 H new ATOM 0 HG2 LYS A 178 10.760 -9.848 -11.835 1.00 0.00 H new ATOM 0 HG3 LYS A 178 9.827 -11.228 -11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 178 9.102 -11.003 -13.990 1.00 0.00 H new ATOM 0 HD3 LYS A 178 10.802 -10.577 -14.002 1.00 0.00 H new ATOM 0 HE2 LYS A 178 9.661 -13.097 -12.701 1.00 0.00 H new ATOM 0 HE3 LYS A 178 10.400 -13.049 -14.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 12.016 -13.731 -12.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 12.439 -12.180 -13.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 11.714 -12.374 -11.709 1.00 0.00 H new ATOM 713 N ARG A 179 8.013 -6.060 -11.951 1.00 0.00 N ATOM 714 CA ARG A 179 6.983 -5.040 -12.045 1.00 0.00 C ATOM 715 C ARG A 179 6.241 -5.156 -13.378 1.00 0.00 C ATOM 716 O ARG A 179 6.863 -5.169 -14.440 1.00 0.00 O ATOM 717 CB ARG A 179 7.584 -3.637 -11.924 1.00 0.00 C ATOM 718 CG ARG A 179 8.045 -3.361 -10.492 1.00 0.00 C ATOM 719 CD ARG A 179 9.146 -2.299 -10.467 1.00 0.00 C ATOM 720 NE ARG A 179 10.393 -2.849 -11.045 1.00 0.00 N ATOM 721 CZ ARG A 179 11.621 -2.404 -10.744 1.00 0.00 C ATOM 722 NH1 ARG A 179 11.774 -1.399 -9.871 1.00 0.00 N ATOM 723 NH2 ARG A 179 12.695 -2.963 -11.318 1.00 0.00 N ATOM 0 H ARG A 179 8.922 -5.784 -12.324 1.00 0.00 H new ATOM 0 HA ARG A 179 6.286 -5.196 -11.222 1.00 0.00 H new ATOM 0 HB2 ARG A 179 8.428 -3.539 -12.607 1.00 0.00 H new ATOM 0 HB3 ARG A 179 6.845 -2.894 -12.222 1.00 0.00 H new ATOM 0 HG2 ARG A 179 7.199 -3.027 -9.891 1.00 0.00 H new ATOM 0 HG3 ARG A 179 8.413 -4.282 -10.040 1.00 0.00 H new ATOM 0 HD2 ARG A 179 8.830 -1.422 -11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 179 9.324 -1.972 -9.443 1.00 0.00 H new ATOM 0 HE ARG A 179 10.313 -3.615 -11.714 1.00 0.00 H new ATOM 0 HH11 ARG A 179 10.956 -0.973 -9.436 1.00 0.00 H new ATOM 0 HH12 ARG A 179 12.708 -1.060 -9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 179 12.578 -3.727 -11.984 1.00 0.00 H new ATOM 0 HH22 ARG A 179 13.630 -2.625 -11.089 1.00 0.00 H new ATOM 737 N GLY A 180 4.922 -5.236 -13.280 1.00 0.00 N ATOM 738 CA GLY A 180 4.089 -5.350 -14.466 1.00 0.00 C ATOM 739 C GLY A 180 2.719 -4.708 -14.237 1.00 0.00 C ATOM 740 O GLY A 180 2.538 -3.944 -13.289 1.00 0.00 O ATOM 0 H GLY A 180 4.409 -5.224 -12.398 1.00 0.00 H new ATOM 0 HA2 GLY A 180 4.584 -4.869 -15.310 1.00 0.00 H new ATOM 0 HA3 GLY A 180 3.963 -6.401 -14.727 1.00 0.00 H new ATOM 744 N MET A 181 1.790 -5.043 -15.119 1.00 0.00 N ATOM 745 CA MET A 181 0.442 -4.509 -15.026 1.00 0.00 C ATOM 746 C MET A 181 -0.511 -5.530 -14.400 1.00 0.00 C ATOM 747 O MET A 181 -0.595 -6.668 -14.861 1.00 0.00 O ATOM 748 CB MET A 181 -0.057 -4.132 -16.423 1.00 0.00 C ATOM 749 CG MET A 181 -1.151 -3.067 -16.346 1.00 0.00 C ATOM 750 SD MET A 181 -0.557 -1.531 -17.035 1.00 0.00 S ATOM 751 CE MET A 181 0.342 -0.889 -15.632 1.00 0.00 C ATOM 0 H MET A 181 1.944 -5.678 -15.902 1.00 0.00 H new ATOM 0 HA MET A 181 0.465 -3.625 -14.389 1.00 0.00 H new ATOM 0 HB2 MET A 181 0.775 -3.761 -17.022 1.00 0.00 H new ATOM 0 HB3 MET A 181 -0.442 -5.018 -16.927 1.00 0.00 H new ATOM 0 HG2 MET A 181 -2.035 -3.401 -16.890 1.00 0.00 H new ATOM 0 HG3 MET A 181 -1.452 -2.918 -15.309 1.00 0.00 H new ATOM 0 HE1 MET A 181 1.056 -0.138 -15.970 1.00 0.00 H new ATOM 0 HE2 MET A 181 -0.356 -0.435 -14.929 1.00 0.00 H new ATOM 0 HE3 MET A 181 0.876 -1.702 -15.139 1.00 0.00 H new ATOM 761 N ILE A 182 -1.204 -5.087 -13.362 1.00 0.00 N ATOM 762 CA ILE A 182 -2.146 -5.947 -12.669 1.00 0.00 C ATOM 763 C ILE A 182 -3.509 -5.256 -12.604 1.00 0.00 C ATOM 764 O ILE A 182 -3.586 -4.029 -12.581 1.00 0.00 O ATOM 765 CB ILE A 182 -1.596 -6.353 -11.301 1.00 0.00 C ATOM 766 CG1 ILE A 182 -1.839 -5.254 -10.264 1.00 0.00 C ATOM 767 CG2 ILE A 182 -0.118 -6.735 -11.396 1.00 0.00 C ATOM 768 CD1 ILE A 182 -1.007 -4.009 -10.581 1.00 0.00 C ATOM 0 H ILE A 182 -1.131 -4.142 -12.984 1.00 0.00 H new ATOM 0 HA ILE A 182 -2.286 -6.878 -13.218 1.00 0.00 H new ATOM 0 HB ILE A 182 -2.136 -7.238 -10.964 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -2.897 -4.994 -10.245 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -1.584 -5.623 -9.271 1.00 0.00 H new ATOM 0 HG21 ILE A 182 0.248 -7.020 -10.410 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -0.002 -7.574 -12.082 1.00 0.00 H new ATOM 0 HG23 ILE A 182 0.455 -5.884 -11.764 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -1.198 -3.243 -9.829 1.00 0.00 H new ATOM 0 HD12 ILE A 182 0.052 -4.268 -10.575 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -1.282 -3.629 -11.565 1.00 0.00 H new ATOM 780 N PRO A 183 -4.579 -6.096 -12.573 1.00 0.00 N ATOM 781 CA PRO A 183 -5.935 -5.577 -12.511 1.00 0.00 C ATOM 782 C PRO A 183 -6.260 -5.058 -11.109 1.00 0.00 C ATOM 783 O PRO A 183 -6.016 -5.743 -10.117 1.00 0.00 O ATOM 784 CB PRO A 183 -6.821 -6.738 -12.934 1.00 0.00 C ATOM 785 CG PRO A 183 -5.973 -7.989 -12.769 1.00 0.00 C ATOM 786 CD PRO A 183 -4.527 -7.554 -12.599 1.00 0.00 C ATOM 0 HA PRO A 183 -6.087 -4.718 -13.165 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -7.718 -6.790 -12.317 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -7.150 -6.622 -13.967 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -6.303 -8.562 -11.903 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -6.077 -8.638 -13.639 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -4.100 -7.951 -11.678 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -3.906 -7.913 -13.420 1.00 0.00 H new ATOM 794 N VAL A 184 -6.805 -3.851 -11.070 1.00 0.00 N ATOM 795 CA VAL A 184 -7.165 -3.232 -9.806 1.00 0.00 C ATOM 796 C VAL A 184 -8.453 -3.869 -9.280 1.00 0.00 C ATOM 797 O VAL A 184 -8.652 -3.964 -8.071 1.00 0.00 O ATOM 798 CB VAL A 184 -7.275 -1.716 -9.980 1.00 0.00 C ATOM 799 CG1 VAL A 184 -7.895 -1.066 -8.740 1.00 0.00 C ATOM 800 CG2 VAL A 184 -5.912 -1.098 -10.298 1.00 0.00 C ATOM 0 H VAL A 184 -7.006 -3.285 -11.894 1.00 0.00 H new ATOM 0 HA VAL A 184 -6.389 -3.405 -9.060 1.00 0.00 H new ATOM 0 HB VAL A 184 -7.935 -1.524 -10.826 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -7.962 0.012 -8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 184 -8.893 -1.473 -8.577 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -7.272 -1.274 -7.870 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -6.020 -0.020 -10.417 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -5.219 -1.306 -9.483 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -5.524 -1.527 -11.222 1.00 0.00 H new ATOM 810 N PRO A 185 -9.315 -4.300 -10.240 1.00 0.00 N ATOM 811 CA PRO A 185 -10.577 -4.926 -9.885 1.00 0.00 C ATOM 812 C PRO A 185 -10.359 -6.356 -9.388 1.00 0.00 C ATOM 813 O PRO A 185 -11.183 -6.892 -8.647 1.00 0.00 O ATOM 814 CB PRO A 185 -11.419 -4.858 -11.149 1.00 0.00 C ATOM 815 CG PRO A 185 -10.441 -4.621 -12.288 1.00 0.00 C ATOM 816 CD PRO A 185 -9.110 -4.205 -11.682 1.00 0.00 C ATOM 0 HA PRO A 185 -11.080 -4.421 -9.060 1.00 0.00 H new ATOM 0 HB2 PRO A 185 -11.975 -5.783 -11.298 1.00 0.00 H new ATOM 0 HB3 PRO A 185 -12.151 -4.052 -11.088 1.00 0.00 H new ATOM 0 HG2 PRO A 185 -10.323 -5.526 -12.884 1.00 0.00 H new ATOM 0 HG3 PRO A 185 -10.815 -3.846 -12.957 1.00 0.00 H new ATOM 0 HD2 PRO A 185 -8.303 -4.859 -12.011 1.00 0.00 H new ATOM 0 HD3 PRO A 185 -8.839 -3.191 -11.978 1.00 0.00 H new ATOM 824 N TYR A 186 -9.246 -6.935 -9.815 1.00 0.00 N ATOM 825 CA TYR A 186 -8.910 -8.293 -9.423 1.00 0.00 C ATOM 826 C TYR A 186 -7.957 -8.298 -8.225 1.00 0.00 C ATOM 827 O TYR A 186 -7.633 -9.356 -7.689 1.00 0.00 O ATOM 828 CB TYR A 186 -8.199 -8.915 -10.626 1.00 0.00 C ATOM 829 CG TYR A 186 -9.148 -9.468 -11.691 1.00 0.00 C ATOM 830 CD1 TYR A 186 -10.252 -8.734 -12.080 1.00 0.00 C ATOM 831 CD2 TYR A 186 -8.902 -10.698 -12.265 1.00 0.00 C ATOM 832 CE1 TYR A 186 -11.144 -9.254 -13.083 1.00 0.00 C ATOM 833 CE2 TYR A 186 -9.795 -11.219 -13.267 1.00 0.00 C ATOM 834 CZ TYR A 186 -10.872 -10.470 -13.627 1.00 0.00 C ATOM 835 OH TYR A 186 -11.716 -10.961 -14.574 1.00 0.00 O ATOM 0 H TYR A 186 -8.565 -6.488 -10.429 1.00 0.00 H new ATOM 0 HA TYR A 186 -9.807 -8.843 -9.136 1.00 0.00 H new ATOM 0 HB2 TYR A 186 -7.555 -8.164 -11.083 1.00 0.00 H new ATOM 0 HB3 TYR A 186 -7.552 -9.720 -10.277 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -10.446 -7.771 -11.632 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -8.038 -11.271 -11.962 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -12.010 -8.691 -13.397 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -9.614 -12.182 -13.722 1.00 0.00 H new ATOM 0 HH TYR A 186 -11.397 -11.838 -14.874 1.00 0.00 H new ATOM 845 N VAL A 187 -7.537 -7.102 -7.839 1.00 0.00 N ATOM 846 CA VAL A 187 -6.628 -6.955 -6.715 1.00 0.00 C ATOM 847 C VAL A 187 -7.209 -5.943 -5.725 1.00 0.00 C ATOM 848 O VAL A 187 -7.980 -5.066 -6.109 1.00 0.00 O ATOM 849 CB VAL A 187 -5.234 -6.570 -7.215 1.00 0.00 C ATOM 850 CG1 VAL A 187 -4.839 -7.406 -8.434 1.00 0.00 C ATOM 851 CG2 VAL A 187 -5.158 -5.074 -7.528 1.00 0.00 C ATOM 0 H VAL A 187 -7.809 -6.226 -8.285 1.00 0.00 H new ATOM 0 HA VAL A 187 -6.518 -7.902 -6.186 1.00 0.00 H new ATOM 0 HB VAL A 187 -4.521 -6.782 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -3.844 -7.113 -8.770 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.834 -8.462 -8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.557 -7.240 -9.237 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.157 -4.827 -7.881 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -5.887 -4.826 -8.300 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -5.376 -4.502 -6.626 1.00 0.00 H new ATOM 861 N GLU A 188 -6.816 -6.100 -4.469 1.00 0.00 N ATOM 862 CA GLU A 188 -7.288 -5.212 -3.421 1.00 0.00 C ATOM 863 C GLU A 188 -6.178 -4.244 -3.006 1.00 0.00 C ATOM 864 O GLU A 188 -4.996 -4.537 -3.180 1.00 0.00 O ATOM 865 CB GLU A 188 -7.800 -6.006 -2.218 1.00 0.00 C ATOM 866 CG GLU A 188 -6.675 -6.270 -1.216 1.00 0.00 C ATOM 867 CD GLU A 188 -7.184 -7.078 -0.020 1.00 0.00 C ATOM 868 OE1 GLU A 188 -7.654 -8.211 -0.259 1.00 0.00 O ATOM 869 OE2 GLU A 188 -7.089 -6.544 1.107 1.00 0.00 O ATOM 0 H GLU A 188 -6.176 -6.829 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 188 -8.123 -4.631 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -8.604 -5.455 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -8.221 -6.953 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -5.866 -6.811 -1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -6.262 -5.323 -0.870 1.00 0.00 H new ATOM 876 N LYS A 189 -6.598 -3.109 -2.466 1.00 0.00 N ATOM 877 CA LYS A 189 -5.654 -2.096 -2.025 1.00 0.00 C ATOM 878 C LYS A 189 -5.232 -2.390 -0.585 1.00 0.00 C ATOM 879 O LYS A 189 -6.030 -2.245 0.341 1.00 0.00 O ATOM 880 CB LYS A 189 -6.240 -0.696 -2.221 1.00 0.00 C ATOM 881 CG LYS A 189 -7.433 -0.466 -1.291 1.00 0.00 C ATOM 882 CD LYS A 189 -8.560 0.272 -2.018 1.00 0.00 C ATOM 883 CE LYS A 189 -9.804 -0.610 -2.140 1.00 0.00 C ATOM 884 NZ LYS A 189 -10.682 -0.433 -0.962 1.00 0.00 N ATOM 0 H LYS A 189 -7.579 -2.869 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 189 -4.751 -2.126 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 189 -5.473 0.054 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 189 -6.553 -0.571 -3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 189 -7.800 -1.423 -0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 189 -7.116 0.112 -0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 189 -8.809 1.185 -1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 189 -8.223 0.571 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 189 -10.349 -0.356 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 189 -9.509 -1.656 -2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 -11.522 -1.039 -1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 -10.164 -0.697 -0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 -10.978 0.562 -0.896 1.00 0.00 H new ATOM 898 N TYR A 190 -3.980 -2.798 -0.439 1.00 0.00 N ATOM 899 CA TYR A 190 -3.443 -3.113 0.874 1.00 0.00 C ATOM 900 C TYR A 190 -2.678 -1.922 1.455 1.00 0.00 C ATOM 901 O TYR A 190 -3.081 -1.356 2.470 1.00 0.00 O ATOM 902 CB TYR A 190 -2.470 -4.275 0.663 1.00 0.00 C ATOM 903 CG TYR A 190 -1.895 -4.848 1.961 1.00 0.00 C ATOM 904 CD1 TYR A 190 -1.062 -4.078 2.746 1.00 0.00 C ATOM 905 CD2 TYR A 190 -2.210 -6.135 2.345 1.00 0.00 C ATOM 906 CE1 TYR A 190 -0.521 -4.617 3.966 1.00 0.00 C ATOM 907 CE2 TYR A 190 -1.669 -6.675 3.565 1.00 0.00 C ATOM 908 CZ TYR A 190 -0.851 -5.888 4.316 1.00 0.00 C ATOM 909 OH TYR A 190 -0.340 -6.398 5.469 1.00 0.00 O ATOM 0 H TYR A 190 -3.322 -2.918 -1.209 1.00 0.00 H new ATOM 0 HA TYR A 190 -4.246 -3.360 1.568 1.00 0.00 H new ATOM 0 HB2 TYR A 190 -2.982 -5.071 0.122 1.00 0.00 H new ATOM 0 HB3 TYR A 190 -1.648 -3.938 0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 190 -0.816 -3.070 2.445 1.00 0.00 H new ATOM 0 HD2 TYR A 190 -2.862 -6.737 1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 190 0.133 -4.025 4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 190 -1.907 -7.681 3.877 1.00 0.00 H new ATOM 0 HH TYR A 190 -0.662 -7.315 5.592 1.00 0.00 H new ATOM 919 N GLY A 191 -1.589 -1.576 0.785 1.00 0.00 N ATOM 920 CA GLY A 191 -0.764 -0.463 1.222 1.00 0.00 C ATOM 921 C GLY A 191 -0.183 0.292 0.024 1.00 0.00 C ATOM 922 O GLY A 191 -0.923 0.743 -0.849 1.00 0.00 O ATOM 0 H GLY A 191 -1.259 -2.047 -0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 191 -1.358 0.217 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 191 0.046 -0.831 1.852 1.00 0.00 H new TER 926 GLY A 191