USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=16 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 :FLIP no HD1:sc= 0.0597 F(o=-3.3,f=-1.4) USER MOD Set 1.2: A 141 ASN :FLIP amide:sc= -1.5 F(o=-3.1!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0312 USER MOD Single : A 145 GLN : amide:sc= -8.66! C(o=-8.7!,f=-8.9!) USER MOD Single : A 147 ASN : amide:sc= 0.393 K(o=0.39,f=-0.71) USER MOD Single : A 149 TYR OH : rot -102:sc= 0.0291 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.71! C(o=-8.7!,f=-8.7!) USER MOD Single : A 153 LYS NZ :NH3+ 158:sc= -0.0382 (180deg=-0.353) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.0988 X(o=-0.099,f=-0.074) USER MOD Single : A 161 LYS NZ :NH3+ -150:sc= -0.133 (180deg=-0.838) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 155:sc= -0.0193 (180deg=-0.296) USER MOD Single : A 164 LYS NZ :NH3+ 153:sc= -0.113 (180deg=-0.885) USER MOD Single : A 165 SER OG : rot 180:sc= -0.297! USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 ASN : amide:sc=-0.00222 X(o=-0.0022,f=0) USER MOD Single : A 169 LYS NZ :NH3+ -165:sc= -0.0137 (180deg=-0.22) USER MOD Single : A 171 MET CE :methyl 162:sc= -0.818 (180deg=-1.59!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -174:sc= -0.0061 (180deg=-0.0719) USER MOD Single : A 188 THR OG1 : rot -155:sc= -0.788 USER MOD Single : A 197 ASN : amide:sc= -0.0765 K(o=-0.076,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 133 17.719 0.333 4.957 1.00 0.00 N ATOM 2 CA GLU A 133 18.450 0.026 3.695 1.00 0.00 C ATOM 3 C GLU A 133 17.540 -0.767 2.763 1.00 0.00 C ATOM 4 O GLU A 133 17.054 -0.243 1.761 1.00 0.00 O ATOM 5 CB GLU A 133 19.703 -0.788 4.020 1.00 0.00 C ATOM 6 CG GLU A 133 20.610 0.018 4.951 1.00 0.00 C ATOM 7 CD GLU A 133 21.163 1.234 4.214 1.00 0.00 C ATOM 8 OE1 GLU A 133 21.617 1.067 3.094 1.00 0.00 O ATOM 9 OE2 GLU A 133 21.126 2.313 4.782 1.00 0.00 O ATOM 0 HA GLU A 133 18.744 0.954 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 133 19.425 -1.730 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 133 20.236 -1.037 3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 133 20.051 0.338 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 133 21.430 -0.607 5.305 1.00 0.00 H new ATOM 18 N ALA A 134 17.312 -2.032 3.101 1.00 0.00 N ATOM 19 CA ALA A 134 16.456 -2.886 2.287 1.00 0.00 C ATOM 20 C ALA A 134 15.037 -2.333 2.238 1.00 0.00 C ATOM 21 O ALA A 134 14.727 -1.334 2.886 1.00 0.00 O ATOM 22 CB ALA A 134 16.437 -4.304 2.862 1.00 0.00 C ATOM 0 H ALA A 134 17.705 -2.485 3.926 1.00 0.00 H new ATOM 0 HA ALA A 134 16.856 -2.911 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.795 -4.937 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.449 -4.709 2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.053 -4.278 3.882 1.00 0.00 H new ATOM 28 N CYS A 135 14.176 -2.990 1.466 1.00 0.00 N ATOM 29 CA CYS A 135 12.791 -2.551 1.341 1.00 0.00 C ATOM 30 C CYS A 135 12.107 -2.552 2.705 1.00 0.00 C ATOM 31 O CYS A 135 12.496 -3.296 3.605 1.00 0.00 O ATOM 32 CB CYS A 135 12.040 -3.466 0.371 1.00 0.00 C ATOM 33 SG CYS A 135 12.648 -3.173 -1.311 1.00 0.00 S ATOM 0 H CYS A 135 14.410 -3.821 0.922 1.00 0.00 H new ATOM 0 HA CYS A 135 12.779 -1.534 0.950 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.188 -4.510 0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.969 -3.271 0.423 1.00 0.00 H new ATOM 38 N GLN A 136 11.087 -1.704 2.855 1.00 0.00 N ATOM 39 CA GLN A 136 10.349 -1.596 4.117 1.00 0.00 C ATOM 40 C GLN A 136 8.876 -1.913 3.896 1.00 0.00 C ATOM 41 O GLN A 136 8.368 -1.788 2.784 1.00 0.00 O ATOM 42 CB GLN A 136 10.486 -0.180 4.679 1.00 0.00 C ATOM 43 CG GLN A 136 11.939 0.070 5.085 1.00 0.00 C ATOM 44 CD GLN A 136 12.097 1.494 5.605 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.396 1.900 6.530 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.984 2.283 5.060 1.00 0.00 N ATOM 0 H GLN A 136 10.753 -1.082 2.119 1.00 0.00 H new ATOM 0 HA GLN A 136 10.765 -2.311 4.827 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.175 0.551 3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.830 -0.054 5.540 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.238 -0.642 5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.597 -0.089 4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.565 1.945 4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.096 3.238 5.402 1.00 0.00 H new ATOM 55 N PHE A 137 8.195 -2.333 4.962 1.00 0.00 N ATOM 56 CA PHE A 137 6.772 -2.676 4.877 1.00 0.00 C ATOM 57 C PHE A 137 5.924 -1.652 5.630 1.00 0.00 C ATOM 58 O PHE A 137 6.279 -1.221 6.728 1.00 0.00 O ATOM 59 CB PHE A 137 6.548 -4.077 5.464 1.00 0.00 C ATOM 60 CG PHE A 137 5.064 -4.361 5.595 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.232 -4.276 4.472 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.520 -4.704 6.841 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.865 -4.536 4.592 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.150 -4.964 6.961 1.00 0.00 C ATOM 65 CZ PHE A 137 2.323 -4.880 5.836 1.00 0.00 C ATOM 0 H PHE A 137 8.601 -2.444 5.891 1.00 0.00 H new ATOM 0 HA PHE A 137 6.469 -2.667 3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.013 -4.826 4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.027 -4.151 6.440 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.648 -4.009 3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.159 -4.768 7.709 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.225 -4.472 3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.732 -5.229 7.921 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.266 -5.081 5.927 1.00 0.00 H new ATOM 75 N SER A 138 4.799 -1.270 5.027 1.00 0.00 N ATOM 76 CA SER A 138 3.892 -0.297 5.636 1.00 0.00 C ATOM 77 C SER A 138 2.449 -0.587 5.230 1.00 0.00 C ATOM 78 O SER A 138 2.165 -0.855 4.063 1.00 0.00 O ATOM 79 CB SER A 138 4.274 1.115 5.193 1.00 0.00 C ATOM 80 OG SER A 138 3.671 2.061 6.066 1.00 0.00 O ATOM 0 H SER A 138 4.494 -1.619 4.118 1.00 0.00 H new ATOM 0 HA SER A 138 3.976 -0.374 6.720 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.358 1.231 5.205 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.946 1.288 4.168 1.00 0.00 H new ATOM 0 HG SER A 138 3.916 2.968 5.785 1.00 0.00 H new ATOM 86 N HIS A 139 1.539 -0.538 6.205 1.00 0.00 N ATOM 87 CA HIS A 139 0.117 -0.802 5.950 1.00 0.00 C ATOM 88 C HIS A 139 -0.762 0.264 6.598 1.00 0.00 C ATOM 89 O HIS A 139 -0.332 0.976 7.506 1.00 0.00 O ATOM 90 CB HIS A 139 -0.271 -2.177 6.497 1.00 0.00 C ATOM 91 CG HIS A 139 -0.162 -2.172 7.996 1.00 0.00 C ATOM 92 ND1 HIS A 139 -1.065 -1.847 8.977 1.00 0.00 N flip ATOM 93 CD2 HIS A 139 1.002 -2.534 8.657 1.00 0.00 C flip ATOM 94 CE1 HIS A 139 -0.475 -2.006 10.227 1.00 0.00 C flip ATOM 95 NE2 HIS A 139 0.770 -2.420 9.978 1.00 0.00 N flip ATOM 0 H HIS A 139 1.758 -0.319 7.177 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.039 -0.779 4.872 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.289 -2.425 6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.380 -2.944 6.077 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.926 -2.850 8.196 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -0.927 -1.832 11.192 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.460 -2.625 10.700 1.00 0.00 H new ATOM 104 N VAL A 140 -2.000 0.367 6.115 1.00 0.00 N ATOM 105 CA VAL A 140 -2.960 1.346 6.633 1.00 0.00 C ATOM 106 C VAL A 140 -4.328 0.687 6.813 1.00 0.00 C ATOM 107 O VAL A 140 -4.954 0.271 5.840 1.00 0.00 O ATOM 108 CB VAL A 140 -3.062 2.522 5.649 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.246 3.422 6.012 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.773 3.342 5.707 1.00 0.00 C ATOM 0 H VAL A 140 -2.364 -0.217 5.363 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.622 1.715 7.601 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.211 2.128 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.304 4.250 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.169 2.844 5.970 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.109 3.814 7.020 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.842 4.177 5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.630 3.724 6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.927 2.710 5.434 1.00 0.00 H new ATOM 120 N ASN A 141 -4.787 0.583 8.064 1.00 0.00 N ATOM 121 CA ASN A 141 -6.082 -0.046 8.345 1.00 0.00 C ATOM 122 C ASN A 141 -6.746 0.562 9.584 1.00 0.00 C ATOM 123 O ASN A 141 -6.160 0.579 10.666 1.00 0.00 O ATOM 124 CB ASN A 141 -5.884 -1.553 8.559 1.00 0.00 C ATOM 125 CG ASN A 141 -5.234 -1.823 9.914 1.00 0.00 C ATOM 126 OD1 ASN A 141 -5.969 -1.809 10.991 1.00 0.00 O flip ATOM 127 ND2 ASN A 141 -4.029 -2.054 9.991 1.00 0.00 N flip ATOM 0 H ASN A 141 -4.290 0.921 8.888 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.735 0.130 7.490 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.846 -2.063 8.503 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.260 -1.960 7.763 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -3.457 -2.064 9.147 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.602 -2.235 10.899 1.00 0.00 H new ATOM 134 N SER A 142 -7.984 1.038 9.422 1.00 0.00 N ATOM 135 CA SER A 142 -8.740 1.616 10.541 1.00 0.00 C ATOM 136 C SER A 142 -10.199 1.173 10.468 1.00 0.00 C ATOM 137 O SER A 142 -10.587 0.429 9.566 1.00 0.00 O ATOM 138 CB SER A 142 -8.655 3.147 10.525 1.00 0.00 C ATOM 139 OG SER A 142 -8.915 3.640 11.833 1.00 0.00 O ATOM 0 H SER A 142 -8.483 1.036 8.533 1.00 0.00 H new ATOM 0 HA SER A 142 -8.302 1.258 11.473 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.667 3.465 10.192 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.377 3.557 9.818 1.00 0.00 H new ATOM 0 HG SER A 142 -8.861 4.618 11.831 1.00 0.00 H new ATOM 145 N ARG A 143 -11.000 1.624 11.425 1.00 0.00 N ATOM 146 CA ARG A 143 -12.413 1.258 11.462 1.00 0.00 C ATOM 147 C ARG A 143 -13.203 1.987 10.373 1.00 0.00 C ATOM 148 O ARG A 143 -14.116 1.418 9.774 1.00 0.00 O ATOM 149 CB ARG A 143 -13.003 1.595 12.837 1.00 0.00 C ATOM 150 CG ARG A 143 -12.546 0.555 13.868 1.00 0.00 C ATOM 151 CD ARG A 143 -11.015 0.471 13.884 1.00 0.00 C ATOM 152 NE ARG A 143 -10.558 -0.150 15.121 1.00 0.00 N ATOM 153 CZ ARG A 143 -10.761 -1.442 15.355 1.00 0.00 C ATOM 154 NH1 ARG A 143 -11.378 -2.177 14.470 1.00 0.00 N ATOM 155 NH2 ARG A 143 -10.343 -1.978 16.470 1.00 0.00 N ATOM 0 H ARG A 143 -10.700 2.239 12.181 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.489 0.186 11.281 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -12.684 2.591 13.145 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -14.091 1.612 12.782 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -12.914 0.826 14.858 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -12.970 -0.420 13.626 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -10.666 -0.107 13.028 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -10.588 1.469 13.790 1.00 0.00 H new ATOM 0 HE ARG A 143 -10.075 0.416 15.818 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -11.704 -1.759 13.599 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -11.534 -3.169 14.650 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -9.860 -1.405 17.162 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -10.499 -2.970 16.649 1.00 0.00 H new ATOM 169 N ASP A 144 -12.864 3.253 10.134 1.00 0.00 N ATOM 170 CA ASP A 144 -13.566 4.056 9.128 1.00 0.00 C ATOM 171 C ASP A 144 -12.872 3.990 7.769 1.00 0.00 C ATOM 172 O ASP A 144 -13.501 4.214 6.735 1.00 0.00 O ATOM 173 CB ASP A 144 -13.630 5.513 9.588 1.00 0.00 C ATOM 174 CG ASP A 144 -14.475 6.331 8.616 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.683 6.346 8.780 1.00 0.00 O ATOM 176 OD2 ASP A 144 -13.899 6.930 7.724 1.00 0.00 O ATOM 0 H ASP A 144 -12.113 3.744 10.619 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.571 3.648 9.018 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.057 5.568 10.589 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.624 5.929 9.647 1.00 0.00 H new ATOM 181 N GLN A 145 -11.579 3.691 7.774 1.00 0.00 N ATOM 182 CA GLN A 145 -10.818 3.613 6.531 1.00 0.00 C ATOM 183 C GLN A 145 -11.415 2.560 5.590 1.00 0.00 C ATOM 184 O GLN A 145 -10.877 1.464 5.455 1.00 0.00 O ATOM 185 CB GLN A 145 -9.352 3.273 6.853 1.00 0.00 C ATOM 186 CG GLN A 145 -8.559 4.557 7.143 1.00 0.00 C ATOM 187 CD GLN A 145 -7.083 4.231 7.331 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.217 4.946 6.825 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.745 3.190 8.033 1.00 0.00 N ATOM 0 H GLN A 145 -11.038 3.500 8.617 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.865 4.578 6.026 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.307 2.607 7.715 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.902 2.741 6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.682 5.262 6.321 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -8.949 5.040 8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.465 2.601 8.450 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.760 2.963 8.166 1.00 0.00 H new ATOM 198 N CYS A 146 -12.526 2.915 4.940 1.00 0.00 N ATOM 199 CA CYS A 146 -13.212 2.015 4.002 1.00 0.00 C ATOM 200 C CYS A 146 -13.236 2.638 2.599 1.00 0.00 C ATOM 201 O CYS A 146 -14.009 3.558 2.335 1.00 0.00 O ATOM 202 CB CYS A 146 -14.645 1.777 4.509 1.00 0.00 C ATOM 203 SG CYS A 146 -15.514 0.603 3.442 1.00 0.00 S ATOM 0 H CYS A 146 -12.974 3.825 5.045 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.683 1.064 3.943 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.616 1.396 5.530 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.188 2.722 4.537 1.00 0.00 H new ATOM 208 N ASN A 147 -12.366 2.140 1.708 1.00 0.00 N ATOM 209 CA ASN A 147 -12.269 2.665 0.334 1.00 0.00 C ATOM 210 C ASN A 147 -12.186 1.533 -0.697 1.00 0.00 C ATOM 211 O ASN A 147 -11.949 0.378 -0.347 1.00 0.00 O ATOM 212 CB ASN A 147 -11.027 3.553 0.209 1.00 0.00 C ATOM 213 CG ASN A 147 -10.911 4.462 1.427 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.353 5.611 1.390 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.341 4.014 2.512 1.00 0.00 N ATOM 0 H ASN A 147 -11.721 1.377 1.911 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.170 3.245 0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.134 2.934 0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.089 4.153 -0.699 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.261 4.616 3.332 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -9.976 3.062 2.540 1.00 0.00 H new ATOM 222 N ASP A 148 -12.387 1.881 -1.973 1.00 0.00 N ATOM 223 CA ASP A 148 -12.342 0.896 -3.059 1.00 0.00 C ATOM 224 C ASP A 148 -10.910 0.488 -3.396 1.00 0.00 C ATOM 225 O ASP A 148 -9.953 1.192 -3.075 1.00 0.00 O ATOM 226 CB ASP A 148 -13.029 1.457 -4.307 1.00 0.00 C ATOM 227 CG ASP A 148 -12.545 2.874 -4.586 1.00 0.00 C ATOM 228 OD1 ASP A 148 -13.156 3.797 -4.075 1.00 0.00 O ATOM 229 OD2 ASP A 148 -11.574 3.014 -5.311 1.00 0.00 O ATOM 0 H ASP A 148 -12.582 2.835 -2.278 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.871 0.006 -2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.818 0.818 -5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.110 1.456 -4.167 1.00 0.00 H new ATOM 234 N TYR A 149 -10.782 -0.669 -4.048 1.00 0.00 N ATOM 235 CA TYR A 149 -9.478 -1.195 -4.436 1.00 0.00 C ATOM 236 C TYR A 149 -8.630 -0.116 -5.100 1.00 0.00 C ATOM 237 O TYR A 149 -7.537 0.204 -4.635 1.00 0.00 O ATOM 238 CB TYR A 149 -9.669 -2.361 -5.410 1.00 0.00 C ATOM 239 CG TYR A 149 -8.352 -3.066 -5.646 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.957 -4.116 -4.808 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.528 -2.671 -6.709 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.739 -4.772 -5.033 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.311 -3.327 -6.932 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.918 -4.377 -6.094 1.00 0.00 C ATOM 245 OH TYR A 149 -4.718 -5.023 -6.315 1.00 0.00 O ATOM 0 H TYR A 149 -11.569 -1.259 -4.318 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.963 -1.537 -3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.399 -3.064 -5.009 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.067 -1.993 -6.356 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.591 -4.420 -3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.832 -1.861 -7.356 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.435 -5.582 -4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.676 -3.023 -7.751 1.00 0.00 H new ATOM 0 HH TYR A 149 -3.983 -4.475 -5.969 1.00 0.00 H new ATOM 255 N GLN A 150 -9.142 0.438 -6.196 1.00 0.00 N ATOM 256 CA GLN A 150 -8.422 1.476 -6.923 1.00 0.00 C ATOM 257 C GLN A 150 -8.047 2.625 -5.994 1.00 0.00 C ATOM 258 O GLN A 150 -6.899 3.068 -5.974 1.00 0.00 O ATOM 259 CB GLN A 150 -9.283 2.003 -8.072 1.00 0.00 C ATOM 260 CG GLN A 150 -8.549 3.142 -8.788 1.00 0.00 C ATOM 261 CD GLN A 150 -9.121 3.339 -10.184 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.944 4.228 -10.404 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.727 2.555 -11.144 1.00 0.00 N ATOM 0 H GLN A 150 -10.046 0.187 -6.597 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.507 1.041 -7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.500 1.199 -8.775 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.240 2.358 -7.689 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.645 4.064 -8.214 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.485 2.915 -8.852 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.045 1.820 -10.955 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.100 2.675 -12.086 1.00 0.00 H new ATOM 272 N HIS A 151 -9.020 3.103 -5.226 1.00 0.00 N ATOM 273 CA HIS A 151 -8.770 4.201 -4.302 1.00 0.00 C ATOM 274 C HIS A 151 -7.562 3.884 -3.427 1.00 0.00 C ATOM 275 O HIS A 151 -6.666 4.715 -3.271 1.00 0.00 O ATOM 276 CB HIS A 151 -10.005 4.439 -3.415 1.00 0.00 C ATOM 277 CG HIS A 151 -11.010 5.288 -4.149 1.00 0.00 C ATOM 278 ND1 HIS A 151 -12.050 5.934 -3.496 1.00 0.00 N ATOM 279 CD2 HIS A 151 -11.147 5.607 -5.477 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.760 6.600 -4.425 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.251 6.435 -5.649 1.00 0.00 N ATOM 0 H HIS A 151 -9.978 2.752 -5.225 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.567 5.103 -4.879 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.455 3.485 -3.140 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.708 4.931 -2.489 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -10.496 5.266 -6.269 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -13.635 7.195 -4.208 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -12.598 6.831 -6.523 1.00 0.00 H new ATOM 290 N TRP A 152 -7.543 2.687 -2.853 1.00 0.00 N ATOM 291 CA TRP A 152 -6.435 2.300 -1.994 1.00 0.00 C ATOM 292 C TRP A 152 -5.120 2.333 -2.775 1.00 0.00 C ATOM 293 O TRP A 152 -4.121 2.866 -2.301 1.00 0.00 O ATOM 294 CB TRP A 152 -6.662 0.886 -1.413 1.00 0.00 C ATOM 295 CG TRP A 152 -7.449 0.944 -0.136 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.552 0.200 0.115 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.211 1.744 1.068 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.014 0.496 1.383 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.227 1.443 2.007 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.233 2.697 1.439 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.274 2.059 3.255 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.280 3.313 2.695 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.297 3.000 3.599 1.00 0.00 C ATOM 0 H TRP A 152 -8.269 1.980 -2.965 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.379 3.012 -1.171 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.191 0.271 -2.141 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.700 0.407 -1.229 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -8.998 -0.510 -0.566 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.837 0.067 1.807 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.444 2.951 0.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.060 1.812 3.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.524 4.035 2.967 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.330 3.484 4.564 1.00 0.00 H new ATOM 314 N LYS A 153 -5.128 1.752 -3.968 1.00 0.00 N ATOM 315 CA LYS A 153 -3.932 1.713 -4.802 1.00 0.00 C ATOM 316 C LYS A 153 -3.283 3.091 -4.883 1.00 0.00 C ATOM 317 O LYS A 153 -2.059 3.213 -4.841 1.00 0.00 O ATOM 318 CB LYS A 153 -4.313 1.209 -6.208 1.00 0.00 C ATOM 319 CG LYS A 153 -3.117 0.514 -6.900 1.00 0.00 C ATOM 320 CD LYS A 153 -3.609 -0.457 -7.988 1.00 0.00 C ATOM 321 CE LYS A 153 -4.071 0.327 -9.218 1.00 0.00 C ATOM 322 NZ LYS A 153 -2.887 0.897 -9.918 1.00 0.00 N ATOM 0 H LYS A 153 -5.946 1.303 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.207 1.031 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.147 0.512 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.652 2.047 -6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.461 1.263 -7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.527 -0.028 -6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.808 -1.143 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.430 -1.062 -7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.625 -0.326 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.750 1.126 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.132 1.096 -10.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.598 1.779 -9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.103 0.214 -9.886 1.00 0.00 H new ATOM 336 N ASP A 154 -4.105 4.124 -4.993 1.00 0.00 N ATOM 337 CA ASP A 154 -3.587 5.482 -5.071 1.00 0.00 C ATOM 338 C ASP A 154 -3.119 5.958 -3.699 1.00 0.00 C ATOM 339 O ASP A 154 -2.012 6.477 -3.561 1.00 0.00 O ATOM 340 CB ASP A 154 -4.668 6.425 -5.600 1.00 0.00 C ATOM 341 CG ASP A 154 -4.985 6.094 -7.055 1.00 0.00 C ATOM 342 OD1 ASP A 154 -5.005 4.919 -7.383 1.00 0.00 O ATOM 343 OD2 ASP A 154 -5.201 7.019 -7.819 1.00 0.00 O ATOM 0 H ASP A 154 -5.122 4.050 -5.030 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.737 5.487 -5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.569 6.335 -4.994 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.332 7.459 -5.519 1.00 0.00 H new ATOM 348 N GLU A 155 -3.964 5.780 -2.688 1.00 0.00 N ATOM 349 CA GLU A 155 -3.623 6.204 -1.332 1.00 0.00 C ATOM 350 C GLU A 155 -2.324 5.549 -0.862 1.00 0.00 C ATOM 351 O GLU A 155 -1.407 6.238 -0.412 1.00 0.00 O ATOM 352 CB GLU A 155 -4.774 5.862 -0.373 1.00 0.00 C ATOM 353 CG GLU A 155 -4.334 6.059 1.093 1.00 0.00 C ATOM 354 CD GLU A 155 -5.533 6.438 1.964 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.612 5.933 1.702 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.351 7.225 2.878 1.00 0.00 O ATOM 0 H GLU A 155 -4.884 5.348 -2.779 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.471 7.283 -1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.635 6.495 -0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.090 4.830 -0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.879 5.143 1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.574 6.839 1.150 1.00 0.00 H new ATOM 363 N ALA A 156 -2.241 4.227 -0.973 1.00 0.00 N ATOM 364 CA ALA A 156 -1.034 3.520 -0.557 1.00 0.00 C ATOM 365 C ALA A 156 0.171 4.111 -1.275 1.00 0.00 C ATOM 366 O ALA A 156 1.272 4.167 -0.726 1.00 0.00 O ATOM 367 CB ALA A 156 -1.149 2.025 -0.879 1.00 0.00 C ATOM 0 H ALA A 156 -2.982 3.631 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.911 3.634 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.240 1.514 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.005 1.604 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.284 1.893 -1.953 1.00 0.00 H new ATOM 373 N GLY A 157 -0.052 4.561 -2.505 1.00 0.00 N ATOM 374 CA GLY A 157 1.016 5.162 -3.293 1.00 0.00 C ATOM 375 C GLY A 157 1.497 6.458 -2.650 1.00 0.00 C ATOM 376 O GLY A 157 2.699 6.675 -2.495 1.00 0.00 O ATOM 0 H GLY A 157 -0.956 4.521 -2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.848 4.463 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.660 5.362 -4.304 1.00 0.00 H new ATOM 380 N LYS A 158 0.554 7.321 -2.276 1.00 0.00 N ATOM 381 CA LYS A 158 0.902 8.592 -1.651 1.00 0.00 C ATOM 382 C LYS A 158 1.526 8.371 -0.277 1.00 0.00 C ATOM 383 O LYS A 158 2.454 9.080 0.110 1.00 0.00 O ATOM 384 CB LYS A 158 -0.343 9.477 -1.501 1.00 0.00 C ATOM 385 CG LYS A 158 -1.136 9.508 -2.819 1.00 0.00 C ATOM 386 CD LYS A 158 -1.944 10.806 -2.915 1.00 0.00 C ATOM 387 CE LYS A 158 -2.960 10.860 -1.772 1.00 0.00 C ATOM 388 NZ LYS A 158 -3.928 11.967 -2.019 1.00 0.00 N ATOM 0 H LYS A 158 -0.447 7.164 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 158 1.627 9.089 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -0.974 9.096 -0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.047 10.488 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.453 9.432 -3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.805 8.649 -2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.277 11.667 -2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.458 10.857 -3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.489 9.910 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.447 11.016 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.619 12.004 -1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.416 12.871 -2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.425 11.799 -2.917 1.00 0.00 H new ATOM 402 N GLN A 159 1.007 7.395 0.461 1.00 0.00 N ATOM 403 CA GLN A 159 1.526 7.111 1.798 1.00 0.00 C ATOM 404 C GLN A 159 3.024 6.805 1.735 1.00 0.00 C ATOM 405 O GLN A 159 3.795 7.245 2.587 1.00 0.00 O ATOM 406 CB GLN A 159 0.764 5.921 2.425 1.00 0.00 C ATOM 407 CG GLN A 159 0.630 6.119 3.942 1.00 0.00 C ATOM 408 CD GLN A 159 -0.478 7.125 4.242 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.214 8.194 4.794 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.708 6.844 3.910 1.00 0.00 N ATOM 0 H GLN A 159 0.238 6.794 0.163 1.00 0.00 H new ATOM 0 HA GLN A 159 1.377 7.992 2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.224 5.834 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.293 4.991 2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.407 5.167 4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.575 6.472 4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.923 5.958 3.453 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.454 7.510 4.107 1.00 0.00 H new ATOM 419 N CYS A 160 3.423 6.038 0.728 1.00 0.00 N ATOM 420 CA CYS A 160 4.824 5.673 0.568 1.00 0.00 C ATOM 421 C CYS A 160 5.637 6.835 0.004 1.00 0.00 C ATOM 422 O CYS A 160 6.743 7.113 0.466 1.00 0.00 O ATOM 423 CB CYS A 160 4.933 4.476 -0.373 1.00 0.00 C ATOM 424 SG CYS A 160 6.586 3.753 -0.244 1.00 0.00 S ATOM 0 H CYS A 160 2.801 5.659 0.014 1.00 0.00 H new ATOM 0 HA CYS A 160 5.225 5.418 1.549 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.178 3.731 -0.120 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.741 4.788 -1.399 1.00 0.00 H new ATOM 429 N LYS A 161 5.085 7.502 -1.003 1.00 0.00 N ATOM 430 CA LYS A 161 5.771 8.624 -1.634 1.00 0.00 C ATOM 431 C LYS A 161 6.013 9.751 -0.634 1.00 0.00 C ATOM 432 O LYS A 161 7.136 10.235 -0.493 1.00 0.00 O ATOM 433 CB LYS A 161 4.944 9.151 -2.806 1.00 0.00 C ATOM 434 CG LYS A 161 4.967 8.134 -3.948 1.00 0.00 C ATOM 435 CD LYS A 161 3.911 8.509 -4.989 1.00 0.00 C ATOM 436 CE LYS A 161 3.906 7.468 -6.110 1.00 0.00 C ATOM 437 NZ LYS A 161 5.292 7.292 -6.631 1.00 0.00 N ATOM 0 H LYS A 161 4.170 7.287 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 161 6.735 8.269 -1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.917 9.332 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.345 10.105 -3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 161 5.955 8.111 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 161 4.772 7.133 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 161 2.927 8.561 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 161 4.123 9.497 -5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 161 3.523 6.518 -5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 161 3.242 7.786 -6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 5.254 7.028 -7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 5.818 8.183 -6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 5.772 6.542 -6.094 1.00 0.00 H new ATOM 451 N THR A 162 4.956 10.166 0.056 1.00 0.00 N ATOM 452 CA THR A 162 5.078 11.242 1.034 1.00 0.00 C ATOM 453 C THR A 162 6.045 10.843 2.145 1.00 0.00 C ATOM 454 O THR A 162 6.706 11.695 2.741 1.00 0.00 O ATOM 455 CB THR A 162 3.702 11.582 1.625 1.00 0.00 C ATOM 456 OG1 THR A 162 3.783 12.819 2.321 1.00 0.00 O ATOM 457 CG2 THR A 162 3.255 10.483 2.592 1.00 0.00 C ATOM 0 H THR A 162 4.017 9.780 -0.041 1.00 0.00 H new ATOM 0 HA THR A 162 5.471 12.125 0.531 1.00 0.00 H new ATOM 0 HB THR A 162 2.976 11.658 0.816 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.906 13.040 2.698 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.278 10.736 3.004 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.189 9.534 2.059 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.979 10.395 3.402 1.00 0.00 H new ATOM 465 N LYS A 163 6.126 9.544 2.417 1.00 0.00 N ATOM 466 CA LYS A 163 7.022 9.047 3.454 1.00 0.00 C ATOM 467 C LYS A 163 8.459 9.030 2.943 1.00 0.00 C ATOM 468 O LYS A 163 8.700 8.938 1.741 1.00 0.00 O ATOM 469 CB LYS A 163 6.601 7.632 3.879 1.00 0.00 C ATOM 470 CG LYS A 163 5.415 7.712 4.858 1.00 0.00 C ATOM 471 CD LYS A 163 5.888 8.209 6.258 1.00 0.00 C ATOM 472 CE LYS A 163 5.157 9.503 6.644 1.00 0.00 C ATOM 473 NZ LYS A 163 3.696 9.234 6.755 1.00 0.00 N ATOM 0 H LYS A 163 5.587 8.823 1.938 1.00 0.00 H new ATOM 0 HA LYS A 163 6.962 9.710 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.322 7.047 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.440 7.119 4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.657 8.388 4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.949 6.731 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.698 7.440 7.007 1.00 0.00 H new ATOM 0 HD3 LYS A 163 6.964 8.382 6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 163 5.541 9.881 7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 163 5.340 10.274 5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 3.263 9.930 7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 3.257 9.308 5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 3.547 8.276 7.132 1.00 0.00 H new ATOM 487 N LYS A 164 9.411 9.122 3.869 1.00 0.00 N ATOM 488 CA LYS A 164 10.828 9.123 3.511 1.00 0.00 C ATOM 489 C LYS A 164 11.648 8.396 4.571 1.00 0.00 C ATOM 490 O LYS A 164 11.169 8.144 5.676 1.00 0.00 O ATOM 491 CB LYS A 164 11.332 10.566 3.379 1.00 0.00 C ATOM 492 CG LYS A 164 10.882 11.406 4.599 1.00 0.00 C ATOM 493 CD LYS A 164 9.554 12.121 4.306 1.00 0.00 C ATOM 494 CE LYS A 164 9.216 13.060 5.465 1.00 0.00 C ATOM 495 NZ LYS A 164 10.290 14.084 5.603 1.00 0.00 N ATOM 0 H LYS A 164 9.228 9.197 4.870 1.00 0.00 H new ATOM 0 HA LYS A 164 10.943 8.606 2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.419 10.573 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.947 11.010 2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.769 10.760 5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.650 12.140 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.629 12.685 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.757 11.390 4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 164 8.257 13.545 5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 164 9.118 12.493 6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 9.894 14.947 6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 11.047 13.713 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 10.679 14.307 4.665 1.00 0.00 H new ATOM 509 N SER A 165 12.888 8.068 4.224 1.00 0.00 N ATOM 510 CA SER A 165 13.773 7.374 5.154 1.00 0.00 C ATOM 511 C SER A 165 14.356 8.359 6.163 1.00 0.00 C ATOM 512 O SER A 165 13.985 9.532 6.182 1.00 0.00 O ATOM 513 CB SER A 165 14.903 6.692 4.383 1.00 0.00 C ATOM 514 OG SER A 165 15.925 6.301 5.290 1.00 0.00 O ATOM 0 H SER A 165 13.301 8.269 3.313 1.00 0.00 H new ATOM 0 HA SER A 165 13.198 6.620 5.691 1.00 0.00 H new ATOM 0 HB2 SER A 165 14.521 5.821 3.851 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.308 7.371 3.633 1.00 0.00 H new ATOM 0 HG SER A 165 16.649 5.862 4.797 1.00 0.00 H new ATOM 520 N LYS A 166 15.267 7.878 6.999 1.00 0.00 N ATOM 521 CA LYS A 166 15.890 8.731 8.005 1.00 0.00 C ATOM 522 C LYS A 166 16.677 9.855 7.340 1.00 0.00 C ATOM 523 O LYS A 166 16.788 10.954 7.885 1.00 0.00 O ATOM 524 CB LYS A 166 16.828 7.899 8.887 1.00 0.00 C ATOM 525 CG LYS A 166 16.041 6.777 9.584 1.00 0.00 C ATOM 526 CD LYS A 166 15.359 7.311 10.851 1.00 0.00 C ATOM 527 CE LYS A 166 14.718 6.147 11.611 1.00 0.00 C ATOM 528 NZ LYS A 166 14.095 6.655 12.865 1.00 0.00 N ATOM 0 H LYS A 166 15.589 6.910 7.002 1.00 0.00 H new ATOM 0 HA LYS A 166 15.105 9.168 8.622 1.00 0.00 H new ATOM 0 HB2 LYS A 166 17.626 7.471 8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.302 8.538 9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 166 15.292 6.372 8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 166 16.713 5.959 9.842 1.00 0.00 H new ATOM 0 HD2 LYS A 166 16.088 7.816 11.485 1.00 0.00 H new ATOM 0 HD3 LYS A 166 14.601 8.049 10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 166 13.965 5.663 10.989 1.00 0.00 H new ATOM 0 HE3 LYS A 166 15.470 5.394 11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 13.660 5.864 13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 14.824 7.098 13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 13.366 7.358 12.630 1.00 0.00 H new ATOM 542 N GLY A 167 17.227 9.574 6.161 1.00 0.00 N ATOM 543 CA GLY A 167 18.007 10.566 5.425 1.00 0.00 C ATOM 544 C GLY A 167 17.126 11.351 4.457 1.00 0.00 C ATOM 545 O GLY A 167 17.572 11.750 3.382 1.00 0.00 O ATOM 0 H GLY A 167 17.147 8.670 5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.483 11.252 6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.805 10.069 4.874 1.00 0.00 H new ATOM 549 N ASN A 168 15.873 11.569 4.845 1.00 0.00 N ATOM 550 CA ASN A 168 14.940 12.309 4.000 1.00 0.00 C ATOM 551 C ASN A 168 15.020 11.818 2.556 1.00 0.00 C ATOM 552 O ASN A 168 15.008 12.614 1.618 1.00 0.00 O ATOM 553 CB ASN A 168 15.263 13.802 4.051 1.00 0.00 C ATOM 554 CG ASN A 168 15.176 14.305 5.488 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.142 14.861 6.011 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.071 14.141 6.161 1.00 0.00 N ATOM 0 H ASN A 168 15.482 11.247 5.731 1.00 0.00 H new ATOM 0 HA ASN A 168 13.929 12.143 4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.263 13.980 3.654 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.567 14.355 3.421 1.00 0.00 H new ATOM 0 HD21 ASN A 168 14.006 14.474 7.123 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.272 13.680 5.725 1.00 0.00 H new ATOM 563 N LYS A 169 15.104 10.501 2.390 1.00 0.00 N ATOM 564 CA LYS A 169 15.189 9.900 1.058 1.00 0.00 C ATOM 565 C LYS A 169 13.782 9.654 0.500 1.00 0.00 C ATOM 566 O LYS A 169 12.796 10.144 1.050 1.00 0.00 O ATOM 567 CB LYS A 169 15.985 8.575 1.145 1.00 0.00 C ATOM 568 CG LYS A 169 16.957 8.444 -0.040 1.00 0.00 C ATOM 569 CD LYS A 169 17.406 6.987 -0.182 1.00 0.00 C ATOM 570 CE LYS A 169 18.350 6.857 -1.377 1.00 0.00 C ATOM 571 NZ LYS A 169 17.576 7.011 -2.642 1.00 0.00 N ATOM 0 H LYS A 169 15.115 9.829 3.158 1.00 0.00 H new ATOM 0 HA LYS A 169 15.707 10.580 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.540 8.540 2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.296 7.731 1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.473 8.776 -0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.823 9.088 0.115 1.00 0.00 H new ATOM 0 HD2 LYS A 169 17.908 6.660 0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 169 16.539 6.340 -0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 169 19.131 7.616 -1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 169 18.846 5.887 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 18.149 6.676 -3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 16.702 6.451 -2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 17.337 8.013 -2.783 1.00 0.00 H new ATOM 585 N ASP A 170 13.700 8.894 -0.592 1.00 0.00 N ATOM 586 CA ASP A 170 12.413 8.585 -1.222 1.00 0.00 C ATOM 587 C ASP A 170 12.259 7.078 -1.395 1.00 0.00 C ATOM 588 O ASP A 170 13.247 6.345 -1.435 1.00 0.00 O ATOM 589 CB ASP A 170 12.325 9.269 -2.587 1.00 0.00 C ATOM 590 CG ASP A 170 10.888 9.237 -3.095 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.141 10.142 -2.761 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.555 8.308 -3.813 1.00 0.00 O ATOM 0 H ASP A 170 14.507 8.481 -1.059 1.00 0.00 H new ATOM 0 HA ASP A 170 11.612 8.953 -0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.669 10.300 -2.509 1.00 0.00 H new ATOM 0 HB3 ASP A 170 12.982 8.767 -3.297 1.00 0.00 H new ATOM 597 N MET A 171 11.012 6.618 -1.499 1.00 0.00 N ATOM 598 CA MET A 171 10.739 5.191 -1.667 1.00 0.00 C ATOM 599 C MET A 171 9.472 4.975 -2.488 1.00 0.00 C ATOM 600 O MET A 171 8.469 5.662 -2.295 1.00 0.00 O ATOM 601 CB MET A 171 10.567 4.524 -0.298 1.00 0.00 C ATOM 602 CG MET A 171 11.797 4.800 0.571 1.00 0.00 C ATOM 603 SD MET A 171 11.730 3.771 2.062 1.00 0.00 S ATOM 604 CE MET A 171 11.935 2.158 1.261 1.00 0.00 C ATOM 0 H MET A 171 10.181 7.208 -1.470 1.00 0.00 H new ATOM 0 HA MET A 171 11.584 4.745 -2.192 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.671 4.905 0.192 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.431 3.450 -0.421 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.707 4.586 0.010 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.832 5.854 0.846 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.239 1.420 2.003 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.990 1.852 0.811 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.699 2.231 0.487 1.00 0.00 H new ATOM 614 N ILE A 172 9.522 4.002 -3.396 1.00 0.00 N ATOM 615 CA ILE A 172 8.372 3.679 -4.236 1.00 0.00 C ATOM 616 C ILE A 172 7.543 2.590 -3.571 1.00 0.00 C ATOM 617 O ILE A 172 7.804 2.224 -2.429 1.00 0.00 O ATOM 618 CB ILE A 172 8.842 3.204 -5.621 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.643 1.894 -5.507 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.736 4.276 -6.247 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.922 1.345 -6.908 1.00 0.00 C ATOM 0 H ILE A 172 10.345 3.425 -3.568 1.00 0.00 H new ATOM 0 HA ILE A 172 7.762 4.573 -4.360 1.00 0.00 H new ATOM 0 HB ILE A 172 7.964 3.029 -6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.581 2.073 -4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.084 1.163 -4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.071 3.942 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.173 5.204 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.602 4.447 -5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.489 0.417 -6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 172 8.978 1.151 -7.417 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.498 2.075 -7.477 1.00 0.00 H new ATOM 633 N VAL A 173 6.561 2.058 -4.297 1.00 0.00 N ATOM 634 CA VAL A 173 5.714 0.980 -3.778 1.00 0.00 C ATOM 635 C VAL A 173 5.967 -0.292 -4.579 1.00 0.00 C ATOM 636 O VAL A 173 5.590 -0.396 -5.745 1.00 0.00 O ATOM 637 CB VAL A 173 4.232 1.375 -3.856 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.354 0.159 -3.544 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.941 2.490 -2.838 1.00 0.00 C ATOM 0 H VAL A 173 6.331 2.354 -5.246 1.00 0.00 H new ATOM 0 HA VAL A 173 5.963 0.802 -2.732 1.00 0.00 H new ATOM 0 HB VAL A 173 4.010 1.732 -4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.304 0.445 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.555 -0.630 -4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.578 -0.204 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.889 2.769 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.168 2.134 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.559 3.359 -3.063 1.00 0.00 H new ATOM 649 N ARG A 174 6.629 -1.249 -3.938 1.00 0.00 N ATOM 650 CA ARG A 174 6.959 -2.512 -4.582 1.00 0.00 C ATOM 651 C ARG A 174 5.722 -3.411 -4.688 1.00 0.00 C ATOM 652 O ARG A 174 5.351 -3.836 -5.781 1.00 0.00 O ATOM 653 CB ARG A 174 8.091 -3.199 -3.783 1.00 0.00 C ATOM 654 CG ARG A 174 8.016 -4.730 -3.897 1.00 0.00 C ATOM 655 CD ARG A 174 9.362 -5.345 -3.508 1.00 0.00 C ATOM 656 NE ARG A 174 9.266 -6.800 -3.488 1.00 0.00 N ATOM 657 CZ ARG A 174 8.578 -7.431 -2.543 1.00 0.00 C ATOM 658 NH1 ARG A 174 7.979 -6.749 -1.607 1.00 0.00 N ATOM 659 NH2 ARG A 174 8.502 -8.734 -2.552 1.00 0.00 N ATOM 0 H ARG A 174 6.947 -1.173 -2.972 1.00 0.00 H new ATOM 0 HA ARG A 174 7.304 -2.326 -5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.057 -2.853 -4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.025 -2.908 -2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.229 -5.114 -3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.756 -5.016 -4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.130 -5.034 -4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.666 -4.980 -2.527 1.00 0.00 H new ATOM 0 HE ARG A 174 9.736 -7.343 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 174 8.039 -5.731 -1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 174 7.451 -7.234 -0.881 1.00 0.00 H new ATOM 0 HH21 ARG A 174 8.971 -9.267 -3.284 1.00 0.00 H new ATOM 0 HH22 ARG A 174 7.974 -9.219 -1.827 1.00 0.00 H new ATOM 673 N SER A 175 5.097 -3.705 -3.548 1.00 0.00 N ATOM 674 CA SER A 175 3.907 -4.565 -3.522 1.00 0.00 C ATOM 675 C SER A 175 2.682 -3.788 -3.056 1.00 0.00 C ATOM 676 O SER A 175 2.802 -2.694 -2.504 1.00 0.00 O ATOM 677 CB SER A 175 4.146 -5.751 -2.585 1.00 0.00 C ATOM 678 OG SER A 175 3.217 -6.784 -2.887 1.00 0.00 O ATOM 0 H SER A 175 5.391 -3.364 -2.633 1.00 0.00 H new ATOM 0 HA SER A 175 3.724 -4.925 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.166 -6.119 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.034 -5.437 -1.547 1.00 0.00 H new ATOM 0 HG SER A 175 3.369 -7.546 -2.289 1.00 0.00 H new ATOM 684 N PHE A 176 1.503 -4.362 -3.280 1.00 0.00 N ATOM 685 CA PHE A 176 0.264 -3.712 -2.873 1.00 0.00 C ATOM 686 C PHE A 176 -0.914 -4.685 -2.975 1.00 0.00 C ATOM 687 O PHE A 176 -1.091 -5.370 -3.982 1.00 0.00 O ATOM 688 CB PHE A 176 0.037 -2.458 -3.742 1.00 0.00 C ATOM 689 CG PHE A 176 -1.427 -2.059 -3.755 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.944 -1.276 -2.722 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.264 -2.480 -4.794 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.290 -0.917 -2.719 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.616 -2.113 -4.794 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.129 -1.333 -3.753 1.00 0.00 C ATOM 0 H PHE A 176 1.381 -5.266 -3.736 1.00 0.00 H new ATOM 0 HA PHE A 176 0.340 -3.404 -1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.638 -1.633 -3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.373 -2.652 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.298 -0.947 -1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.868 -3.087 -5.595 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.685 -0.315 -1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.262 -2.433 -5.598 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.172 -1.053 -3.749 1.00 0.00 H new ATOM 704 N ALA A 177 -1.713 -4.727 -1.913 1.00 0.00 N ATOM 705 CA ALA A 177 -2.883 -5.604 -1.857 1.00 0.00 C ATOM 706 C ALA A 177 -3.766 -5.200 -0.684 1.00 0.00 C ATOM 707 O ALA A 177 -3.256 -4.845 0.373 1.00 0.00 O ATOM 708 CB ALA A 177 -2.439 -7.058 -1.684 1.00 0.00 C ATOM 0 H ALA A 177 -1.573 -4.162 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.444 -5.510 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.316 -7.704 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.812 -7.350 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.872 -7.158 -0.759 1.00 0.00 H new ATOM 714 N VAL A 178 -5.083 -5.246 -0.862 1.00 0.00 N ATOM 715 CA VAL A 178 -5.989 -4.852 0.217 1.00 0.00 C ATOM 716 C VAL A 178 -5.927 -5.845 1.374 1.00 0.00 C ATOM 717 O VAL A 178 -5.397 -6.946 1.229 1.00 0.00 O ATOM 718 CB VAL A 178 -7.428 -4.721 -0.295 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.516 -3.533 -1.259 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.853 -6.008 -1.016 1.00 0.00 C ATOM 0 H VAL A 178 -5.541 -5.545 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.664 -3.878 0.583 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.096 -4.557 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.538 -3.437 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.230 -2.620 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.843 -3.697 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.877 -5.903 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.189 -6.188 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.796 -6.848 -0.324 1.00 0.00 H new ATOM 730 N LEU A 179 -6.444 -5.431 2.538 1.00 0.00 N ATOM 731 CA LEU A 179 -6.411 -6.276 3.737 1.00 0.00 C ATOM 732 C LEU A 179 -7.808 -6.733 4.159 1.00 0.00 C ATOM 733 O LEU A 179 -8.342 -7.711 3.636 1.00 0.00 O ATOM 734 CB LEU A 179 -5.779 -5.494 4.904 1.00 0.00 C ATOM 735 CG LEU A 179 -4.251 -5.384 4.737 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.665 -4.477 5.859 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.607 -6.798 4.779 1.00 0.00 C ATOM 0 H LEU A 179 -6.887 -4.522 2.674 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.820 -7.159 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.215 -4.496 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -6.010 -5.991 5.846 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.024 -4.934 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.584 -4.401 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.108 -3.483 5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.892 -4.911 6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.527 -6.710 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.829 -7.271 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -4.012 -7.407 3.971 1.00 0.00 H new ATOM 749 N GLU A 180 -8.368 -6.035 5.143 1.00 0.00 N ATOM 750 CA GLU A 180 -9.679 -6.388 5.680 1.00 0.00 C ATOM 751 C GLU A 180 -10.804 -6.046 4.697 1.00 0.00 C ATOM 752 O GLU A 180 -10.717 -5.052 3.976 1.00 0.00 O ATOM 753 CB GLU A 180 -9.912 -5.642 6.995 1.00 0.00 C ATOM 754 CG GLU A 180 -9.006 -6.222 8.083 1.00 0.00 C ATOM 755 CD GLU A 180 -9.008 -5.307 9.303 1.00 0.00 C ATOM 756 OE1 GLU A 180 -9.042 -4.102 9.116 1.00 0.00 O ATOM 757 OE2 GLU A 180 -8.974 -5.825 10.407 1.00 0.00 O ATOM 0 H GLU A 180 -7.936 -5.223 5.584 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.692 -7.465 5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.705 -4.580 6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.957 -5.729 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.351 -7.217 8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -7.991 -6.332 7.702 1.00 0.00 H new ATOM 764 N PRO A 181 -11.861 -6.833 4.658 1.00 0.00 N ATOM 765 CA PRO A 181 -13.017 -6.580 3.747 1.00 0.00 C ATOM 766 C PRO A 181 -13.973 -5.509 4.285 1.00 0.00 C ATOM 767 O PRO A 181 -14.175 -5.377 5.492 1.00 0.00 O ATOM 768 CB PRO A 181 -13.711 -7.942 3.695 1.00 0.00 C ATOM 769 CG PRO A 181 -13.489 -8.509 5.056 1.00 0.00 C ATOM 770 CD PRO A 181 -12.082 -8.058 5.461 1.00 0.00 C ATOM 0 HA PRO A 181 -12.699 -6.201 2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.773 -7.841 3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.283 -8.580 2.922 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.236 -8.144 5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.565 -9.596 5.046 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -12.019 -7.853 6.530 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.337 -8.822 5.239 1.00 0.00 H new ATOM 778 N CYS A 182 -14.560 -4.763 3.358 1.00 0.00 N ATOM 779 CA CYS A 182 -15.518 -3.697 3.669 1.00 0.00 C ATOM 780 C CYS A 182 -16.712 -3.837 2.725 1.00 0.00 C ATOM 781 O CYS A 182 -16.839 -4.853 2.044 1.00 0.00 O ATOM 782 CB CYS A 182 -14.861 -2.322 3.512 1.00 0.00 C ATOM 783 SG CYS A 182 -15.676 -1.086 4.549 1.00 0.00 S ATOM 0 H CYS A 182 -14.387 -4.878 2.359 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.852 -3.785 4.703 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.806 -2.387 3.780 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.906 -2.012 2.468 1.00 0.00 H new ATOM 788 N ALA A 183 -17.591 -2.836 2.709 1.00 0.00 N ATOM 789 CA ALA A 183 -18.783 -2.871 1.852 1.00 0.00 C ATOM 790 C ALA A 183 -18.506 -3.572 0.515 1.00 0.00 C ATOM 791 O ALA A 183 -17.353 -3.734 0.115 1.00 0.00 O ATOM 792 CB ALA A 183 -19.263 -1.443 1.581 1.00 0.00 C ATOM 0 H ALA A 183 -17.504 -1.993 3.276 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.552 -3.437 2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.148 -1.471 0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.510 -0.957 2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.474 -0.883 1.080 1.00 0.00 H new ATOM 798 N LEU A 184 -19.589 -3.993 -0.148 1.00 0.00 N ATOM 799 CA LEU A 184 -19.531 -4.711 -1.435 1.00 0.00 C ATOM 800 C LEU A 184 -18.165 -4.606 -2.126 1.00 0.00 C ATOM 801 O LEU A 184 -17.458 -5.606 -2.257 1.00 0.00 O ATOM 802 CB LEU A 184 -20.629 -4.161 -2.363 1.00 0.00 C ATOM 803 CG LEU A 184 -21.096 -5.228 -3.375 1.00 0.00 C ATOM 804 CD1 LEU A 184 -19.893 -5.783 -4.147 1.00 0.00 C ATOM 805 CD2 LEU A 184 -21.834 -6.380 -2.656 1.00 0.00 C ATOM 0 H LEU A 184 -20.539 -3.846 0.192 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.690 -5.769 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.478 -3.827 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.252 -3.289 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 184 -21.787 -4.757 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -20.233 -6.535 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -19.400 -4.973 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -19.190 -6.236 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -22.154 -7.120 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -21.163 -6.849 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -22.706 -5.984 -2.135 1.00 0.00 H new ATOM 817 N ASP A 185 -17.802 -3.404 -2.574 1.00 0.00 N ATOM 818 CA ASP A 185 -16.519 -3.194 -3.260 1.00 0.00 C ATOM 819 C ASP A 185 -15.663 -2.194 -2.494 1.00 0.00 C ATOM 820 O ASP A 185 -15.433 -1.079 -2.960 1.00 0.00 O ATOM 821 CB ASP A 185 -16.769 -2.667 -4.675 1.00 0.00 C ATOM 822 CG ASP A 185 -17.473 -1.317 -4.612 1.00 0.00 C ATOM 823 OD1 ASP A 185 -18.346 -1.164 -3.773 1.00 0.00 O ATOM 824 OD2 ASP A 185 -17.129 -0.454 -5.402 1.00 0.00 O ATOM 0 H ASP A 185 -18.371 -2.563 -2.477 1.00 0.00 H new ATOM 0 HA ASP A 185 -15.992 -4.147 -3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -15.823 -2.569 -5.208 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.377 -3.378 -5.234 1.00 0.00 H new ATOM 829 N MET A 186 -15.204 -2.599 -1.314 1.00 0.00 N ATOM 830 CA MET A 186 -14.385 -1.728 -0.479 1.00 0.00 C ATOM 831 C MET A 186 -13.571 -2.542 0.527 1.00 0.00 C ATOM 832 O MET A 186 -13.876 -3.705 0.790 1.00 0.00 O ATOM 833 CB MET A 186 -15.281 -0.723 0.260 1.00 0.00 C ATOM 834 CG MET A 186 -15.822 0.336 -0.707 1.00 0.00 C ATOM 835 SD MET A 186 -16.353 1.787 0.236 1.00 0.00 S ATOM 836 CE MET A 186 -15.978 3.035 -1.021 1.00 0.00 C ATOM 0 H MET A 186 -15.384 -3.521 -0.916 1.00 0.00 H new ATOM 0 HA MET A 186 -13.690 -1.188 -1.122 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.111 -1.248 0.733 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.714 -0.240 1.056 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.052 0.616 -1.426 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.658 -0.068 -1.277 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.133 4.030 -0.604 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.940 2.932 -1.337 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.635 2.895 -1.880 1.00 0.00 H new ATOM 846 N PHE A 187 -12.533 -1.914 1.093 1.00 0.00 N ATOM 847 CA PHE A 187 -11.671 -2.577 2.081 1.00 0.00 C ATOM 848 C PHE A 187 -11.417 -1.664 3.284 1.00 0.00 C ATOM 849 O PHE A 187 -11.120 -0.481 3.127 1.00 0.00 O ATOM 850 CB PHE A 187 -10.352 -2.956 1.416 1.00 0.00 C ATOM 851 CG PHE A 187 -10.667 -3.890 0.279 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.779 -5.262 0.516 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.881 -3.379 -1.006 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.098 -6.129 -0.532 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.203 -4.243 -2.056 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.313 -5.619 -1.821 1.00 0.00 C ATOM 0 H PHE A 187 -12.270 -0.951 0.885 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.170 -3.475 2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.838 -2.067 1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.686 -3.436 2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.619 -5.653 1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.797 -2.317 -1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.179 -7.190 -0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.367 -3.850 -3.048 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.563 -6.287 -2.632 1.00 0.00 H new ATOM 866 N THR A 188 -11.564 -2.225 4.489 1.00 0.00 N ATOM 867 CA THR A 188 -11.378 -1.452 5.718 1.00 0.00 C ATOM 868 C THR A 188 -9.914 -1.051 5.902 1.00 0.00 C ATOM 869 O THR A 188 -9.606 -0.145 6.677 1.00 0.00 O ATOM 870 CB THR A 188 -11.850 -2.249 6.963 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.722 -2.683 7.712 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.671 -3.473 6.547 1.00 0.00 C ATOM 0 H THR A 188 -11.809 -3.204 4.638 1.00 0.00 H new ATOM 0 HA THR A 188 -11.986 -0.552 5.622 1.00 0.00 H new ATOM 0 HB THR A 188 -12.473 -1.593 7.571 1.00 0.00 H new ATOM 0 HG1 THR A 188 -10.959 -3.482 8.227 1.00 0.00 H new ATOM 0 HG21 THR A 188 -12.991 -4.016 7.436 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.547 -3.150 5.985 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.060 -4.126 5.923 1.00 0.00 H new ATOM 880 N GLY A 189 -9.018 -1.732 5.200 1.00 0.00 N ATOM 881 CA GLY A 189 -7.595 -1.438 5.314 1.00 0.00 C ATOM 882 C GLY A 189 -6.818 -2.043 4.157 1.00 0.00 C ATOM 883 O GLY A 189 -7.316 -2.923 3.456 1.00 0.00 O ATOM 0 H GLY A 189 -9.248 -2.485 4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.444 -0.359 5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.214 -1.830 6.257 1.00 0.00 H new ATOM 887 N VAL A 190 -5.589 -1.564 3.955 1.00 0.00 N ATOM 888 CA VAL A 190 -4.754 -2.071 2.865 1.00 0.00 C ATOM 889 C VAL A 190 -3.284 -2.162 3.265 1.00 0.00 C ATOM 890 O VAL A 190 -2.772 -1.315 3.998 1.00 0.00 O ATOM 891 CB VAL A 190 -4.910 -1.161 1.632 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.470 0.266 1.983 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.064 -1.692 0.444 1.00 0.00 C ATOM 0 H VAL A 190 -5.155 -0.836 4.523 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.089 -3.081 2.628 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.959 -1.158 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.582 0.907 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.089 0.648 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.426 0.258 2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.190 -1.033 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.012 -1.719 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.395 -2.697 0.182 1.00 0.00 H new ATOM 903 N GLU A 191 -2.608 -3.195 2.759 1.00 0.00 N ATOM 904 CA GLU A 191 -1.184 -3.406 3.038 1.00 0.00 C ATOM 905 C GLU A 191 -0.364 -3.194 1.769 1.00 0.00 C ATOM 906 O GLU A 191 -0.776 -3.597 0.681 1.00 0.00 O ATOM 907 CB GLU A 191 -0.962 -4.825 3.584 1.00 0.00 C ATOM 908 CG GLU A 191 -1.203 -5.891 2.508 1.00 0.00 C ATOM 909 CD GLU A 191 -0.920 -7.275 3.082 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.053 -7.375 3.933 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.574 -8.215 2.660 1.00 0.00 O ATOM 0 H GLU A 191 -3.024 -3.901 2.152 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.859 -2.685 3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.056 -4.914 3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.632 -5.000 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.232 -5.837 2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.560 -5.705 1.648 1.00 0.00 H new ATOM 918 N PHE A 192 0.798 -2.563 1.912 1.00 0.00 N ATOM 919 CA PHE A 192 1.664 -2.314 0.761 1.00 0.00 C ATOM 920 C PHE A 192 3.124 -2.228 1.187 1.00 0.00 C ATOM 921 O PHE A 192 3.438 -1.760 2.280 1.00 0.00 O ATOM 922 CB PHE A 192 1.258 -1.023 0.044 1.00 0.00 C ATOM 923 CG PHE A 192 1.140 0.124 1.024 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.062 0.174 1.918 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.097 1.147 1.025 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.055 1.243 2.813 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.976 2.217 1.918 1.00 0.00 C ATOM 928 CZ PHE A 192 0.901 2.264 2.812 1.00 0.00 C ATOM 0 H PHE A 192 1.160 -2.218 2.801 1.00 0.00 H new ATOM 0 HA PHE A 192 1.548 -3.151 0.073 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.996 -0.779 -0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.306 -1.170 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.678 -0.612 1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.928 1.110 0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.884 1.280 3.505 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.713 3.007 1.917 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.809 3.090 3.502 1.00 0.00 H new ATOM 938 N VAL A 193 4.011 -2.693 0.309 1.00 0.00 N ATOM 939 CA VAL A 193 5.451 -2.676 0.589 1.00 0.00 C ATOM 940 C VAL A 193 6.122 -1.509 -0.123 1.00 0.00 C ATOM 941 O VAL A 193 5.685 -1.087 -1.195 1.00 0.00 O ATOM 942 CB VAL A 193 6.093 -3.987 0.122 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.613 -3.917 0.308 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.535 -5.149 0.947 1.00 0.00 C ATOM 0 H VAL A 193 3.762 -3.085 -0.599 1.00 0.00 H new ATOM 0 HA VAL A 193 5.587 -2.564 1.665 1.00 0.00 H new ATOM 0 HB VAL A 193 5.866 -4.142 -0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.064 -4.852 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.014 -3.091 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.844 -3.759 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 193 5.991 -6.082 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.761 -4.989 2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.455 -5.205 0.812 1.00 0.00 H new ATOM 954 N CYS A 194 7.194 -0.998 0.479 1.00 0.00 N ATOM 955 CA CYS A 194 7.944 0.122 -0.098 1.00 0.00 C ATOM 956 C CYS A 194 9.381 -0.298 -0.383 1.00 0.00 C ATOM 957 O CYS A 194 9.918 -1.183 0.278 1.00 0.00 O ATOM 958 CB CYS A 194 7.947 1.303 0.873 1.00 0.00 C ATOM 959 SG CYS A 194 6.318 2.090 0.871 1.00 0.00 S ATOM 0 H CYS A 194 7.565 -1.340 1.366 1.00 0.00 H new ATOM 0 HA CYS A 194 7.464 0.418 -1.031 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.196 0.961 1.878 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.711 2.024 0.583 1.00 0.00 H new ATOM 964 N CYS A 195 10.005 0.343 -1.374 1.00 0.00 N ATOM 965 CA CYS A 195 11.390 0.024 -1.737 1.00 0.00 C ATOM 966 C CYS A 195 12.165 1.307 -2.085 1.00 0.00 C ATOM 967 O CYS A 195 11.586 2.252 -2.621 1.00 0.00 O ATOM 968 CB CYS A 195 11.392 -0.932 -2.933 1.00 0.00 C ATOM 969 SG CYS A 195 11.011 -2.608 -2.353 1.00 0.00 S ATOM 0 H CYS A 195 9.579 1.080 -1.936 1.00 0.00 H new ATOM 0 HA CYS A 195 11.881 -0.453 -0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.656 -0.613 -3.671 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.364 -0.916 -3.425 1.00 0.00 H new ATOM 974 N PRO A 196 13.450 1.372 -1.788 1.00 0.00 N ATOM 975 CA PRO A 196 14.283 2.583 -2.079 1.00 0.00 C ATOM 976 C PRO A 196 14.648 2.704 -3.558 1.00 0.00 C ATOM 977 O PRO A 196 15.430 3.572 -3.944 1.00 0.00 O ATOM 978 CB PRO A 196 15.534 2.354 -1.223 1.00 0.00 C ATOM 979 CG PRO A 196 15.684 0.871 -1.182 1.00 0.00 C ATOM 980 CD PRO A 196 14.257 0.313 -1.145 1.00 0.00 C ATOM 0 HA PRO A 196 13.756 3.510 -1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.410 2.831 -1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.413 2.770 -0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.224 0.507 -2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.250 0.558 -0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.182 -0.631 -1.685 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.928 0.123 -0.123 1.00 0.00 H new ATOM 988 N ASN A 197 14.078 1.832 -4.381 1.00 0.00 N ATOM 989 CA ASN A 197 14.356 1.857 -5.811 1.00 0.00 C ATOM 990 C ASN A 197 14.251 3.284 -6.348 1.00 0.00 C ATOM 991 O ASN A 197 13.139 3.729 -6.577 1.00 0.00 O ATOM 992 CB ASN A 197 13.361 0.952 -6.544 1.00 0.00 C ATOM 993 CG ASN A 197 13.764 -0.511 -6.398 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.878 -0.814 -5.970 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.913 -1.441 -6.731 1.00 0.00 N ATOM 996 OXT ASN A 197 15.284 3.908 -6.520 1.00 0.00 O ATOM 0 H ASN A 197 13.426 1.105 -4.086 1.00 0.00 H new ATOM 0 HA ASN A 197 15.370 1.494 -5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.359 1.102 -6.141 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.324 1.222 -7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.169 -2.424 -6.637 1.00 0.00 H new ATOM 0 HD22 ASN A 197 11.991 -1.186 -7.085 1.00 0.00 H new TER 1003 ASN A 197