USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 504 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 135 HIS : no HD1:sc= -4.03! C(o=-4!,f=-8.4!) USER MOD Set 1.2: A 157 GLN : amide:sc= -0.0171 K(o=-4,f=-9.2!) USER MOD Set 2.1: A 142 SER OG : rot -43:sc= 1.2 USER MOD Set 2.2: A 151 THR OG1 : rot -122:sc= 0.524! USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 168:sc= -0.0255 (180deg=-0.186) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 80:sc= -0.848 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -2.69! K(o=-2.7!,f=-0.21) USER MOD Single : A 110 LYS NZ :NH3+ -165:sc= -0.0773 (180deg=-0.338) USER MOD Single : A 114 THR OG1 : rot -11:sc= 0.943 USER MOD Single : A 139 SER OG : rot 180:sc= -0.545 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot -8:sc= 0.815 USER MOD Single : A 146 GLN : amide:sc= -0.945 K(o=-0.94,f=-3.1!) USER MOD Single : A 148 GLN : amide:sc= -1.27! K(o=-1.3!,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 HIS : no HD1:sc= -0.57 K(o=-0.57,f=-1.2) USER MOD Single : A 159 ASN : amide:sc= -0.0434 X(o=-0.043,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 19.907 8.866 -12.246 1.00 0.00 N ATOM 2 CA GLU A 92 19.255 8.002 -11.226 1.00 0.00 C ATOM 3 C GLU A 92 20.202 6.909 -10.741 1.00 0.00 C ATOM 4 O GLU A 92 19.804 5.754 -10.577 1.00 0.00 O ATOM 5 CB GLU A 92 17.997 7.384 -11.843 1.00 0.00 C ATOM 6 CG GLU A 92 18.271 6.560 -13.093 1.00 0.00 C ATOM 7 CD GLU A 92 17.012 5.953 -13.682 1.00 0.00 C ATOM 8 OE1 GLU A 92 16.092 6.721 -14.034 1.00 0.00 O ATOM 9 OE2 GLU A 92 16.949 4.711 -13.796 1.00 0.00 O ATOM 0 HA GLU A 92 18.988 8.608 -10.360 1.00 0.00 H new ATOM 0 HB2 GLU A 92 17.512 6.751 -11.100 1.00 0.00 H new ATOM 0 HB3 GLU A 92 17.295 8.181 -12.090 1.00 0.00 H new ATOM 0 HG2 GLU A 92 18.750 7.191 -13.842 1.00 0.00 H new ATOM 0 HG3 GLU A 92 18.975 5.763 -12.851 1.00 0.00 H new ATOM 18 N ALA A 93 21.459 7.280 -10.510 1.00 0.00 N ATOM 19 CA ALA A 93 22.463 6.332 -10.041 1.00 0.00 C ATOM 20 C ALA A 93 22.193 5.911 -8.602 1.00 0.00 C ATOM 21 O ALA A 93 22.209 4.723 -8.279 1.00 0.00 O ATOM 22 CB ALA A 93 23.854 6.934 -10.167 1.00 0.00 C ATOM 0 H ALA A 93 21.805 8.231 -10.640 1.00 0.00 H new ATOM 0 HA ALA A 93 22.406 5.441 -10.666 1.00 0.00 H new ATOM 0 HB1 ALA A 93 24.594 6.216 -9.814 1.00 0.00 H new ATOM 0 HB2 ALA A 93 24.053 7.176 -11.211 1.00 0.00 H new ATOM 0 HB3 ALA A 93 23.913 7.842 -9.567 1.00 0.00 H new ATOM 28 N GLU A 94 21.944 6.892 -7.738 1.00 0.00 N ATOM 29 CA GLU A 94 21.669 6.622 -6.331 1.00 0.00 C ATOM 30 C GLU A 94 20.384 5.817 -6.171 1.00 0.00 C ATOM 31 O GLU A 94 20.165 5.177 -5.142 1.00 0.00 O ATOM 32 CB GLU A 94 21.581 7.929 -5.538 1.00 0.00 C ATOM 33 CG GLU A 94 20.531 8.895 -6.062 1.00 0.00 C ATOM 34 CD GLU A 94 20.478 10.184 -5.267 1.00 0.00 C ATOM 35 OE1 GLU A 94 21.508 10.886 -5.203 1.00 0.00 O ATOM 36 OE2 GLU A 94 19.404 10.493 -4.708 1.00 0.00 O ATOM 0 H GLU A 94 21.927 7.881 -7.988 1.00 0.00 H new ATOM 0 HA GLU A 94 22.494 6.030 -5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 94 21.360 7.697 -4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 94 22.554 8.420 -5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.743 9.125 -7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.553 8.414 -6.033 1.00 0.00 H new ATOM 43 N PHE A 95 19.541 5.855 -7.197 1.00 0.00 N ATOM 44 CA PHE A 95 18.275 5.124 -7.182 1.00 0.00 C ATOM 45 C PHE A 95 18.505 3.635 -7.434 1.00 0.00 C ATOM 46 O PHE A 95 17.792 3.013 -8.222 1.00 0.00 O ATOM 47 CB PHE A 95 17.316 5.683 -8.242 1.00 0.00 C ATOM 48 CG PHE A 95 16.948 7.128 -8.046 1.00 0.00 C ATOM 49 CD1 PHE A 95 17.920 8.115 -8.036 1.00 0.00 C ATOM 50 CD2 PHE A 95 15.622 7.499 -7.882 1.00 0.00 C ATOM 51 CE1 PHE A 95 17.580 9.443 -7.864 1.00 0.00 C ATOM 52 CE2 PHE A 95 15.275 8.826 -7.710 1.00 0.00 C ATOM 53 CZ PHE A 95 16.255 9.799 -7.702 1.00 0.00 C ATOM 0 H PHE A 95 19.710 6.385 -8.052 1.00 0.00 H new ATOM 0 HA PHE A 95 17.829 5.250 -6.196 1.00 0.00 H new ATOM 0 HB2 PHE A 95 17.773 5.567 -9.225 1.00 0.00 H new ATOM 0 HB3 PHE A 95 16.405 5.085 -8.241 1.00 0.00 H new ATOM 0 HD1 PHE A 95 18.957 7.843 -8.164 1.00 0.00 H new ATOM 0 HD2 PHE A 95 14.851 6.742 -7.889 1.00 0.00 H new ATOM 0 HE1 PHE A 95 18.349 10.202 -7.856 1.00 0.00 H new ATOM 0 HE2 PHE A 95 14.239 9.102 -7.582 1.00 0.00 H new ATOM 0 HZ PHE A 95 15.986 10.837 -7.569 1.00 0.00 H new ATOM 63 N VAL A 96 19.508 3.071 -6.769 1.00 0.00 N ATOM 64 CA VAL A 96 19.838 1.660 -6.930 1.00 0.00 C ATOM 65 C VAL A 96 18.724 0.751 -6.413 1.00 0.00 C ATOM 66 O VAL A 96 18.231 0.924 -5.298 1.00 0.00 O ATOM 67 CB VAL A 96 21.153 1.304 -6.208 1.00 0.00 C ATOM 68 CG1 VAL A 96 22.326 2.023 -6.855 1.00 0.00 C ATOM 69 CG2 VAL A 96 21.064 1.646 -4.729 1.00 0.00 C ATOM 0 H VAL A 96 20.107 3.571 -6.112 1.00 0.00 H new ATOM 0 HA VAL A 96 19.958 1.494 -8.001 1.00 0.00 H new ATOM 0 HB VAL A 96 21.315 0.230 -6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 96 23.246 1.761 -6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 96 22.404 1.725 -7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 96 22.170 3.100 -6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.002 1.387 -4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 96 20.877 2.714 -4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 96 20.249 1.083 -4.274 1.00 0.00 H new ATOM 79 N ARG A 97 18.352 -0.225 -7.241 1.00 0.00 N ATOM 80 CA ARG A 97 17.312 -1.200 -6.905 1.00 0.00 C ATOM 81 C ARG A 97 16.161 -0.578 -6.116 1.00 0.00 C ATOM 82 O ARG A 97 15.701 -1.143 -5.125 1.00 0.00 O ATOM 83 CB ARG A 97 17.913 -2.377 -6.128 1.00 0.00 C ATOM 84 CG ARG A 97 18.595 -1.979 -4.827 1.00 0.00 C ATOM 85 CD ARG A 97 19.266 -3.171 -4.164 1.00 0.00 C ATOM 86 NE ARG A 97 20.290 -3.766 -5.019 1.00 0.00 N ATOM 87 CZ ARG A 97 21.034 -4.809 -4.665 1.00 0.00 C ATOM 88 NH1 ARG A 97 20.872 -5.371 -3.475 1.00 0.00 N ATOM 89 NH2 ARG A 97 21.943 -5.290 -5.502 1.00 0.00 N ATOM 0 H ARG A 97 18.763 -0.363 -8.164 1.00 0.00 H new ATOM 0 HA ARG A 97 16.898 -1.562 -7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.122 -3.094 -5.907 1.00 0.00 H new ATOM 0 HB3 ARG A 97 18.637 -2.887 -6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 97 19.337 -1.206 -5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 97 17.860 -1.548 -4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 97 19.717 -2.856 -3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 97 18.514 -3.922 -3.922 1.00 0.00 H new ATOM 0 HE ARG A 97 20.443 -3.357 -5.941 1.00 0.00 H new ATOM 0 HH11 ARG A 97 20.175 -5.003 -2.828 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.445 -6.171 -3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 97 22.071 -4.860 -6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 97 22.514 -6.090 -5.230 1.00 0.00 H new ATOM 103 N ILE A 98 15.687 0.578 -6.566 1.00 0.00 N ATOM 104 CA ILE A 98 14.581 1.252 -5.901 1.00 0.00 C ATOM 105 C ILE A 98 13.302 0.422 -5.998 1.00 0.00 C ATOM 106 O ILE A 98 12.958 -0.081 -7.067 1.00 0.00 O ATOM 107 CB ILE A 98 14.326 2.653 -6.494 1.00 0.00 C ATOM 108 CG1 ILE A 98 14.237 2.576 -8.021 1.00 0.00 C ATOM 109 CG2 ILE A 98 15.420 3.618 -6.059 1.00 0.00 C ATOM 110 CD1 ILE A 98 13.946 3.906 -8.684 1.00 0.00 C ATOM 0 H ILE A 98 16.050 1.065 -7.385 1.00 0.00 H new ATOM 0 HA ILE A 98 14.862 1.365 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 98 13.374 3.027 -6.117 1.00 0.00 H new ATOM 0 HG12 ILE A 98 15.176 2.184 -8.411 1.00 0.00 H new ATOM 0 HG13 ILE A 98 13.457 1.866 -8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.227 4.603 -6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.431 3.689 -4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 98 16.386 3.254 -6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 98 13.898 3.771 -9.765 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.992 4.291 -8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 98 14.738 4.614 -8.442 1.00 0.00 H new ATOM 122 N CYS A 99 12.607 0.279 -4.872 1.00 0.00 N ATOM 123 CA CYS A 99 11.370 -0.496 -4.826 1.00 0.00 C ATOM 124 C CYS A 99 10.348 0.022 -5.837 1.00 0.00 C ATOM 125 O CYS A 99 10.189 1.230 -6.015 1.00 0.00 O ATOM 126 CB CYS A 99 10.776 -0.469 -3.416 1.00 0.00 C ATOM 127 SG CYS A 99 11.712 -1.449 -2.195 1.00 0.00 S ATOM 0 H CYS A 99 12.880 0.690 -3.979 1.00 0.00 H new ATOM 0 HA CYS A 99 11.614 -1.525 -5.091 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.725 0.565 -3.074 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.752 -0.842 -3.457 1.00 0.00 H new ATOM 132 N SER A 100 9.666 -0.912 -6.500 1.00 0.00 N ATOM 133 CA SER A 100 8.659 -0.578 -7.505 1.00 0.00 C ATOM 134 C SER A 100 7.691 0.486 -6.998 1.00 0.00 C ATOM 135 O SER A 100 7.164 0.385 -5.889 1.00 0.00 O ATOM 136 CB SER A 100 7.881 -1.834 -7.903 1.00 0.00 C ATOM 137 OG SER A 100 8.748 -2.832 -8.411 1.00 0.00 O ATOM 0 H SER A 100 9.795 -1.914 -6.357 1.00 0.00 H new ATOM 0 HA SER A 100 9.179 -0.175 -8.375 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.343 -2.222 -7.038 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.134 -1.580 -8.655 1.00 0.00 H new ATOM 0 HG SER A 100 8.226 -3.625 -8.656 1.00 0.00 H new ATOM 143 N LYS A 101 7.458 1.506 -7.820 1.00 0.00 N ATOM 144 CA LYS A 101 6.551 2.591 -7.462 1.00 0.00 C ATOM 145 C LYS A 101 5.123 2.282 -7.902 1.00 0.00 C ATOM 146 O LYS A 101 4.256 3.155 -7.884 1.00 0.00 O ATOM 147 CB LYS A 101 7.016 3.898 -8.104 1.00 0.00 C ATOM 148 CG LYS A 101 6.995 3.869 -9.625 1.00 0.00 C ATOM 149 CD LYS A 101 7.471 5.185 -10.220 1.00 0.00 C ATOM 150 CE LYS A 101 8.920 5.474 -9.858 1.00 0.00 C ATOM 151 NZ LYS A 101 9.845 4.440 -10.397 1.00 0.00 N ATOM 0 H LYS A 101 7.886 1.603 -8.741 1.00 0.00 H new ATOM 0 HA LYS A 101 6.562 2.695 -6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.379 4.711 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.029 4.119 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.629 3.058 -9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.983 3.658 -9.971 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.366 5.153 -11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.838 5.997 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.203 6.452 -10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.021 5.521 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.827 4.772 -10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.728 3.557 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.627 4.268 -11.399 1.00 0.00 H new ATOM 165 N SER A 102 4.884 1.037 -8.302 1.00 0.00 N ATOM 166 CA SER A 102 3.560 0.616 -8.750 1.00 0.00 C ATOM 167 C SER A 102 2.559 0.652 -7.601 1.00 0.00 C ATOM 168 O SER A 102 1.387 0.977 -7.794 1.00 0.00 O ATOM 169 CB SER A 102 3.623 -0.791 -9.347 1.00 0.00 C ATOM 170 OG SER A 102 2.347 -1.215 -9.793 1.00 0.00 O ATOM 0 H SER A 102 5.590 0.301 -8.325 1.00 0.00 H new ATOM 0 HA SER A 102 3.226 1.313 -9.519 1.00 0.00 H new ATOM 0 HB2 SER A 102 4.326 -0.804 -10.180 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.001 -1.489 -8.600 1.00 0.00 H new ATOM 0 HG SER A 102 2.416 -2.116 -10.171 1.00 0.00 H new ATOM 176 N TYR A 103 3.032 0.312 -6.408 1.00 0.00 N ATOM 177 CA TYR A 103 2.187 0.299 -5.219 1.00 0.00 C ATOM 178 C TYR A 103 1.529 1.658 -5.004 1.00 0.00 C ATOM 179 O TYR A 103 0.401 1.743 -4.516 1.00 0.00 O ATOM 180 CB TYR A 103 3.009 -0.090 -3.984 1.00 0.00 C ATOM 181 CG TYR A 103 3.581 -1.493 -4.040 1.00 0.00 C ATOM 182 CD1 TYR A 103 4.323 -1.927 -5.133 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.377 -2.385 -2.994 1.00 0.00 C ATOM 184 CE1 TYR A 103 4.842 -3.207 -5.183 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.894 -3.666 -3.037 1.00 0.00 C ATOM 186 CZ TYR A 103 4.625 -4.072 -4.133 1.00 0.00 C ATOM 187 OH TYR A 103 5.140 -5.346 -4.177 1.00 0.00 O ATOM 0 H TYR A 103 4.000 0.040 -6.238 1.00 0.00 H new ATOM 0 HA TYR A 103 1.402 -0.443 -5.369 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.827 0.620 -3.867 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.380 -0.000 -3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 103 4.497 -1.252 -5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.805 -2.072 -2.133 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.415 -3.527 -6.041 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.726 -4.346 -2.215 1.00 0.00 H new ATOM 0 HH TYR A 103 6.089 -5.324 -3.932 1.00 0.00 H new ATOM 197 N LEU A 104 2.242 2.716 -5.375 1.00 0.00 N ATOM 198 CA LEU A 104 1.738 4.078 -5.229 1.00 0.00 C ATOM 199 C LEU A 104 0.410 4.252 -5.965 1.00 0.00 C ATOM 200 O LEU A 104 0.185 3.637 -7.007 1.00 0.00 O ATOM 201 CB LEU A 104 2.764 5.081 -5.757 1.00 0.00 C ATOM 202 CG LEU A 104 4.153 4.989 -5.116 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.072 6.062 -5.680 1.00 0.00 C ATOM 204 CD2 LEU A 104 4.055 5.109 -3.602 1.00 0.00 C ATOM 0 H LEU A 104 3.176 2.656 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 104 1.569 4.265 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.867 4.939 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.376 6.088 -5.604 1.00 0.00 H new ATOM 0 HG LEU A 104 4.577 4.013 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.054 5.982 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.170 5.928 -6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.652 7.046 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.052 5.041 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.610 6.069 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.433 4.303 -3.213 1.00 0.00 H new ATOM 216 N THR A 105 -0.460 5.092 -5.408 1.00 0.00 N ATOM 217 CA THR A 105 -1.773 5.358 -5.997 1.00 0.00 C ATOM 218 C THR A 105 -2.651 4.109 -5.985 1.00 0.00 C ATOM 219 O THR A 105 -2.217 3.024 -6.371 1.00 0.00 O ATOM 220 CB THR A 105 -1.651 5.873 -7.445 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.877 7.080 -7.473 1.00 0.00 O ATOM 222 CG2 THR A 105 -3.024 6.136 -8.046 1.00 0.00 C ATOM 0 H THR A 105 -0.279 5.603 -4.544 1.00 0.00 H new ATOM 0 HA THR A 105 -2.238 6.130 -5.384 1.00 0.00 H new ATOM 0 HB THR A 105 -1.153 5.105 -8.037 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.803 7.400 -8.396 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.911 6.498 -9.068 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.602 5.212 -8.051 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.544 6.886 -7.451 1.00 0.00 H new ATOM 230 N LEU A 106 -3.893 4.274 -5.536 1.00 0.00 N ATOM 231 CA LEU A 106 -4.838 3.165 -5.472 1.00 0.00 C ATOM 232 C LEU A 106 -6.259 3.636 -5.765 1.00 0.00 C ATOM 233 O LEU A 106 -6.703 4.659 -5.245 1.00 0.00 O ATOM 234 CB LEU A 106 -4.790 2.500 -4.094 1.00 0.00 C ATOM 235 CG LEU A 106 -5.781 1.348 -3.893 1.00 0.00 C ATOM 236 CD1 LEU A 106 -5.660 0.326 -5.014 1.00 0.00 C ATOM 237 CD2 LEU A 106 -5.559 0.685 -2.542 1.00 0.00 C ATOM 0 H LEU A 106 -4.267 5.166 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.549 2.439 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.781 2.124 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.980 3.259 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.790 1.760 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.373 -0.481 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.871 0.807 -5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.649 -0.081 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.271 -0.131 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.544 0.291 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.703 1.418 -1.749 1.00 0.00 H new ATOM 249 N GLU A 107 -6.972 2.876 -6.590 1.00 0.00 N ATOM 250 CA GLU A 107 -8.347 3.213 -6.933 1.00 0.00 C ATOM 251 C GLU A 107 -9.257 3.012 -5.726 1.00 0.00 C ATOM 252 O GLU A 107 -9.206 1.973 -5.068 1.00 0.00 O ATOM 253 CB GLU A 107 -8.842 2.367 -8.111 1.00 0.00 C ATOM 254 CG GLU A 107 -8.146 2.674 -9.430 1.00 0.00 C ATOM 255 CD GLU A 107 -6.747 2.090 -9.522 1.00 0.00 C ATOM 256 OE1 GLU A 107 -6.360 1.320 -8.620 1.00 0.00 O ATOM 257 OE2 GLU A 107 -6.046 2.392 -10.510 1.00 0.00 O ATOM 0 H GLU A 107 -6.621 2.026 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.375 4.262 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.699 1.313 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.914 2.524 -8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.749 2.285 -10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.090 3.755 -9.560 1.00 0.00 H new ATOM 264 N ASN A 108 -10.081 4.014 -5.437 1.00 0.00 N ATOM 265 CA ASN A 108 -10.997 3.951 -4.302 1.00 0.00 C ATOM 266 C ASN A 108 -10.224 3.724 -3.004 1.00 0.00 C ATOM 267 O ASN A 108 -10.658 2.971 -2.132 1.00 0.00 O ATOM 268 CB ASN A 108 -12.024 2.830 -4.502 1.00 0.00 C ATOM 269 CG ASN A 108 -12.859 3.008 -5.761 1.00 0.00 C ATOM 270 OD1 ASN A 108 -13.733 2.191 -6.053 1.00 0.00 O ATOM 271 ND2 ASN A 108 -12.598 4.072 -6.514 1.00 0.00 N ATOM 0 H ASN A 108 -10.134 4.880 -5.973 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.524 4.903 -4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -11.505 1.873 -4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.685 2.792 -3.636 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.130 4.235 -7.369 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -11.865 4.725 -6.237 1.00 0.00 H new ATOM 278 N GLY A 109 -9.074 4.382 -2.887 1.00 0.00 N ATOM 279 CA GLY A 109 -8.255 4.239 -1.697 1.00 0.00 C ATOM 280 C GLY A 109 -7.054 5.161 -1.700 1.00 0.00 C ATOM 281 O GLY A 109 -6.583 5.583 -2.756 1.00 0.00 O ATOM 0 H GLY A 109 -8.695 5.011 -3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.863 4.444 -0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.915 3.206 -1.617 1.00 0.00 H new ATOM 285 N LYS A 110 -6.561 5.471 -0.508 1.00 0.00 N ATOM 286 CA LYS A 110 -5.406 6.349 -0.354 1.00 0.00 C ATOM 287 C LYS A 110 -4.210 5.583 0.199 1.00 0.00 C ATOM 288 O LYS A 110 -4.366 4.660 0.997 1.00 0.00 O ATOM 289 CB LYS A 110 -5.746 7.523 0.565 1.00 0.00 C ATOM 290 CG LYS A 110 -6.833 8.430 0.013 1.00 0.00 C ATOM 291 CD LYS A 110 -7.091 9.612 0.932 1.00 0.00 C ATOM 292 CE LYS A 110 -8.161 10.532 0.369 1.00 0.00 C ATOM 293 NZ LYS A 110 -7.792 11.053 -0.977 1.00 0.00 N ATOM 0 H LYS A 110 -6.945 5.126 0.372 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.143 6.735 -1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.064 7.136 1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.845 8.112 0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.541 8.791 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.753 7.860 -0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.400 9.251 1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.167 10.172 1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.106 9.993 0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.318 11.367 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.404 11.859 -1.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.799 11.363 -0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.914 10.302 -1.686 1.00 0.00 H new ATOM 307 N VAL A 111 -3.015 5.974 -0.231 1.00 0.00 N ATOM 308 CA VAL A 111 -1.793 5.323 0.220 1.00 0.00 C ATOM 309 C VAL A 111 -1.008 6.226 1.167 1.00 0.00 C ATOM 310 O VAL A 111 -0.904 7.433 0.948 1.00 0.00 O ATOM 311 CB VAL A 111 -0.896 4.928 -0.970 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.373 4.244 -0.483 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.655 4.030 -1.934 1.00 0.00 C ATOM 0 H VAL A 111 -2.868 6.738 -0.891 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.090 4.419 0.752 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.610 5.836 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.992 3.973 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.927 4.923 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.111 3.344 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.007 3.761 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.973 3.126 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.530 4.559 -2.311 1.00 0.00 H new ATOM 323 N PHE A 112 -0.463 5.631 2.222 1.00 0.00 N ATOM 324 CA PHE A 112 0.311 6.371 3.212 1.00 0.00 C ATOM 325 C PHE A 112 1.799 6.073 3.069 1.00 0.00 C ATOM 326 O PHE A 112 2.189 4.934 2.825 1.00 0.00 O ATOM 327 CB PHE A 112 -0.149 6.009 4.630 1.00 0.00 C ATOM 328 CG PHE A 112 -1.548 6.449 4.960 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.629 6.014 4.208 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.781 7.292 6.035 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.915 6.414 4.522 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.064 7.694 6.354 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.132 7.255 5.596 1.00 0.00 C ATOM 0 H PHE A 112 -0.544 4.633 2.414 1.00 0.00 H new ATOM 0 HA PHE A 112 0.146 7.435 3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.082 4.928 4.756 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.539 6.457 5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.465 5.356 3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.950 7.639 6.631 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.749 6.069 3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.231 8.351 7.195 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.135 7.569 5.843 1.00 0.00 H new ATOM 343 N LEU A 113 2.627 7.102 3.228 1.00 0.00 N ATOM 344 CA LEU A 113 4.073 6.939 3.124 1.00 0.00 C ATOM 345 C LEU A 113 4.773 7.640 4.281 1.00 0.00 C ATOM 346 O LEU A 113 4.410 8.755 4.656 1.00 0.00 O ATOM 347 CB LEU A 113 4.599 7.481 1.789 1.00 0.00 C ATOM 348 CG LEU A 113 4.060 6.784 0.535 1.00 0.00 C ATOM 349 CD1 LEU A 113 2.647 7.257 0.225 1.00 0.00 C ATOM 350 CD2 LEU A 113 4.972 7.046 -0.654 1.00 0.00 C ATOM 0 H LEU A 113 2.322 8.054 3.429 1.00 0.00 H new ATOM 0 HA LEU A 113 4.291 5.872 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.356 8.542 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.686 7.402 1.788 1.00 0.00 H new ATOM 0 HG LEU A 113 4.034 5.711 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.282 6.751 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.993 7.026 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.653 8.334 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.574 6.544 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.027 8.118 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.970 6.664 -0.438 1.00 0.00 H new ATOM 362 N THR A 114 5.774 6.976 4.848 1.00 0.00 N ATOM 363 CA THR A 114 6.523 7.528 5.970 1.00 0.00 C ATOM 364 C THR A 114 7.878 6.844 6.117 1.00 0.00 C ATOM 365 O THR A 114 8.006 5.641 5.886 1.00 0.00 O ATOM 366 CB THR A 114 5.739 7.382 7.291 1.00 0.00 C ATOM 367 OG1 THR A 114 4.493 8.083 7.205 1.00 0.00 O ATOM 368 CG2 THR A 114 6.543 7.916 8.468 1.00 0.00 C ATOM 0 H THR A 114 6.086 6.052 4.548 1.00 0.00 H new ATOM 0 HA THR A 114 6.676 8.587 5.760 1.00 0.00 H new ATOM 0 HB THR A 114 5.550 6.321 7.453 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.485 8.638 6.397 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.966 7.800 9.385 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.476 7.359 8.554 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.764 8.972 8.309 1.00 0.00 H new ATOM 376 N GLY A 115 8.886 7.621 6.499 1.00 0.00 N ATOM 377 CA GLY A 115 10.220 7.078 6.671 1.00 0.00 C ATOM 378 C GLY A 115 11.097 7.290 5.453 1.00 0.00 C ATOM 379 O GLY A 115 10.685 7.021 4.325 1.00 0.00 O ATOM 0 H GLY A 115 8.802 8.619 6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.689 7.544 7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.150 6.011 6.882 1.00 0.00 H new ATOM 383 N GLY A 116 12.313 7.773 5.689 1.00 0.00 N ATOM 384 CA GLY A 116 13.250 8.021 4.606 1.00 0.00 C ATOM 385 C GLY A 116 12.660 8.876 3.502 1.00 0.00 C ATOM 386 O GLY A 116 11.796 9.717 3.753 1.00 0.00 O ATOM 0 H GLY A 116 12.669 7.999 6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.137 8.513 5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.574 7.068 4.187 1.00 0.00 H new ATOM 390 N ASP A 117 13.128 8.653 2.276 1.00 0.00 N ATOM 391 CA ASP A 117 12.651 9.395 1.113 1.00 0.00 C ATOM 392 C ASP A 117 13.397 8.947 -0.137 1.00 0.00 C ATOM 393 O ASP A 117 14.612 9.107 -0.230 1.00 0.00 O ATOM 394 CB ASP A 117 12.836 10.902 1.321 1.00 0.00 C ATOM 395 CG ASP A 117 12.311 11.721 0.157 1.00 0.00 C ATOM 396 OD1 ASP A 117 12.834 11.563 -0.967 1.00 0.00 O ATOM 397 OD2 ASP A 117 11.375 12.521 0.369 1.00 0.00 O ATOM 0 H ASP A 117 13.843 7.958 2.062 1.00 0.00 H new ATOM 0 HA ASP A 117 11.588 9.190 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 117 12.323 11.205 2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.895 11.118 1.464 1.00 0.00 H new ATOM 402 N LEU A 118 12.658 8.386 -1.091 1.00 0.00 N ATOM 403 CA LEU A 118 13.239 7.902 -2.343 1.00 0.00 C ATOM 404 C LEU A 118 14.311 8.855 -2.868 1.00 0.00 C ATOM 405 O LEU A 118 14.116 10.070 -2.890 1.00 0.00 O ATOM 406 CB LEU A 118 12.134 7.728 -3.389 1.00 0.00 C ATOM 407 CG LEU A 118 12.597 7.295 -4.783 1.00 0.00 C ATOM 408 CD1 LEU A 118 13.027 5.837 -4.775 1.00 0.00 C ATOM 409 CD2 LEU A 118 11.485 7.506 -5.799 1.00 0.00 C ATOM 0 H LEU A 118 11.649 8.254 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 118 13.715 6.941 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 118 11.422 6.991 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 118 11.596 8.672 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 118 13.453 7.908 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.353 5.548 -5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.850 5.704 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.187 5.212 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 118 11.829 7.194 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 118 10.615 6.915 -5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 118 11.213 8.561 -5.827 1.00 0.00 H new ATOM 421 N PRO A 119 15.468 8.313 -3.295 1.00 0.00 N ATOM 422 CA PRO A 119 15.743 6.880 -3.286 1.00 0.00 C ATOM 423 C PRO A 119 16.475 6.417 -2.025 1.00 0.00 C ATOM 424 O PRO A 119 17.427 5.640 -2.103 1.00 0.00 O ATOM 425 CB PRO A 119 16.642 6.732 -4.507 1.00 0.00 C ATOM 426 CG PRO A 119 17.428 8.007 -4.553 1.00 0.00 C ATOM 427 CD PRO A 119 16.613 9.063 -3.834 1.00 0.00 C ATOM 0 HA PRO A 119 14.834 6.279 -3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 119 17.297 5.866 -4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 119 16.057 6.594 -5.416 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.399 7.878 -4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 119 17.619 8.304 -5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.188 9.541 -3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 119 16.291 9.852 -4.514 1.00 0.00 H new ATOM 435 N ALA A 120 16.027 6.893 -0.868 1.00 0.00 N ATOM 436 CA ALA A 120 16.646 6.517 0.400 1.00 0.00 C ATOM 437 C ALA A 120 16.316 5.076 0.757 1.00 0.00 C ATOM 438 O ALA A 120 17.200 4.281 1.078 1.00 0.00 O ATOM 439 CB ALA A 120 16.198 7.457 1.509 1.00 0.00 C ATOM 0 H ALA A 120 15.241 7.537 -0.781 1.00 0.00 H new ATOM 0 HA ALA A 120 17.727 6.600 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 120 16.668 7.163 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.490 8.478 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.114 7.405 1.614 1.00 0.00 H new ATOM 445 N LEU A 121 15.034 4.753 0.688 1.00 0.00 N ATOM 446 CA LEU A 121 14.552 3.410 0.988 1.00 0.00 C ATOM 447 C LEU A 121 15.000 2.950 2.375 1.00 0.00 C ATOM 448 O LEU A 121 15.376 1.792 2.560 1.00 0.00 O ATOM 449 CB LEU A 121 15.045 2.425 -0.075 1.00 0.00 C ATOM 450 CG LEU A 121 14.704 2.805 -1.520 1.00 0.00 C ATOM 451 CD1 LEU A 121 15.242 1.759 -2.484 1.00 0.00 C ATOM 452 CD2 LEU A 121 13.202 2.972 -1.695 1.00 0.00 C ATOM 0 H LEU A 121 14.300 5.410 0.424 1.00 0.00 H new ATOM 0 HA LEU A 121 13.462 3.437 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.127 2.330 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.620 1.444 0.136 1.00 0.00 H new ATOM 0 HG LEU A 121 15.179 3.760 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 121 14.992 2.043 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.325 1.692 -2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 121 14.795 0.791 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.984 3.242 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 121 12.701 2.035 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.844 3.759 -1.031 1.00 0.00 H new ATOM 464 N ASP A 122 14.949 3.859 3.346 1.00 0.00 N ATOM 465 CA ASP A 122 15.337 3.540 4.720 1.00 0.00 C ATOM 466 C ASP A 122 14.253 2.721 5.420 1.00 0.00 C ATOM 467 O ASP A 122 13.857 3.033 6.544 1.00 0.00 O ATOM 468 CB ASP A 122 15.618 4.819 5.511 1.00 0.00 C ATOM 469 CG ASP A 122 16.869 5.532 5.036 1.00 0.00 C ATOM 470 OD1 ASP A 122 16.927 5.897 3.845 1.00 0.00 O ATOM 471 OD2 ASP A 122 17.789 5.727 5.858 1.00 0.00 O ATOM 0 H ASP A 122 14.643 4.822 3.208 1.00 0.00 H new ATOM 0 HA ASP A 122 16.248 2.943 4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 122 14.765 5.492 5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.723 4.573 6.568 1.00 0.00 H new ATOM 476 N GLY A 123 13.772 1.679 4.750 1.00 0.00 N ATOM 477 CA GLY A 123 12.736 0.842 5.322 1.00 0.00 C ATOM 478 C GLY A 123 11.427 1.586 5.497 1.00 0.00 C ATOM 479 O GLY A 123 10.735 1.413 6.501 1.00 0.00 O ATOM 0 H GLY A 123 14.082 1.400 3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 123 12.576 -0.024 4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.069 0.465 6.289 1.00 0.00 H new ATOM 483 N ALA A 124 11.087 2.415 4.515 1.00 0.00 N ATOM 484 CA ALA A 124 9.853 3.189 4.557 1.00 0.00 C ATOM 485 C ALA A 124 8.635 2.269 4.576 1.00 0.00 C ATOM 486 O ALA A 124 8.590 1.269 3.860 1.00 0.00 O ATOM 487 CB ALA A 124 9.785 4.135 3.368 1.00 0.00 C ATOM 0 H ALA A 124 11.651 2.568 3.679 1.00 0.00 H new ATOM 0 HA ALA A 124 9.848 3.777 5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.858 4.707 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.635 4.817 3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.813 3.559 2.443 1.00 0.00 H new ATOM 493 N ARG A 125 7.649 2.613 5.400 1.00 0.00 N ATOM 494 CA ARG A 125 6.432 1.815 5.510 1.00 0.00 C ATOM 495 C ARG A 125 5.255 2.533 4.859 1.00 0.00 C ATOM 496 O ARG A 125 5.122 3.753 4.969 1.00 0.00 O ATOM 497 CB ARG A 125 6.116 1.517 6.978 1.00 0.00 C ATOM 498 CG ARG A 125 4.854 0.692 7.173 1.00 0.00 C ATOM 499 CD ARG A 125 4.578 0.431 8.643 1.00 0.00 C ATOM 500 NE ARG A 125 3.340 -0.318 8.841 1.00 0.00 N ATOM 501 CZ ARG A 125 2.866 -0.661 10.035 1.00 0.00 C ATOM 502 NH1 ARG A 125 3.527 -0.327 11.135 1.00 0.00 N ATOM 503 NH2 ARG A 125 1.731 -1.339 10.129 1.00 0.00 N ATOM 0 H ARG A 125 7.669 3.437 6.000 1.00 0.00 H new ATOM 0 HA ARG A 125 6.597 0.873 4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.959 0.987 7.422 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.012 2.459 7.517 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.006 1.214 6.730 1.00 0.00 H new ATOM 0 HG3 ARG A 125 4.954 -0.257 6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 125 5.411 -0.124 9.076 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.517 1.380 9.175 1.00 0.00 H new ATOM 0 HE ARG A 125 2.808 -0.594 8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 125 4.401 0.194 11.066 1.00 0.00 H new ATOM 0 HH12 ARG A 125 3.161 -0.591 12.050 1.00 0.00 H new ATOM 0 HH21 ARG A 125 1.220 -1.598 9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 125 1.368 -1.602 11.045 1.00 0.00 H new ATOM 517 N VAL A 126 4.405 1.771 4.177 1.00 0.00 N ATOM 518 CA VAL A 126 3.244 2.337 3.504 1.00 0.00 C ATOM 519 C VAL A 126 1.963 1.595 3.871 1.00 0.00 C ATOM 520 O VAL A 126 1.954 0.368 3.999 1.00 0.00 O ATOM 521 CB VAL A 126 3.415 2.314 1.971 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.639 3.117 1.557 1.00 0.00 C ATOM 523 CG2 VAL A 126 3.508 0.884 1.463 1.00 0.00 C ATOM 0 H VAL A 126 4.500 0.760 4.077 1.00 0.00 H new ATOM 0 HA VAL A 126 3.165 3.370 3.842 1.00 0.00 H new ATOM 0 HB VAL A 126 2.537 2.777 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.743 3.089 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.524 4.150 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 126 5.529 2.688 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.628 0.890 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.365 0.390 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.597 0.345 1.724 1.00 0.00 H new ATOM 533 N GLU A 127 0.883 2.355 4.037 1.00 0.00 N ATOM 534 CA GLU A 127 -0.414 1.787 4.386 1.00 0.00 C ATOM 535 C GLU A 127 -1.406 1.965 3.238 1.00 0.00 C ATOM 536 O GLU A 127 -1.644 3.082 2.779 1.00 0.00 O ATOM 537 CB GLU A 127 -0.952 2.449 5.656 1.00 0.00 C ATOM 538 CG GLU A 127 -0.069 2.229 6.875 1.00 0.00 C ATOM 539 CD GLU A 127 -0.622 2.889 8.124 1.00 0.00 C ATOM 540 OE1 GLU A 127 -1.701 3.512 8.041 1.00 0.00 O ATOM 541 OE2 GLU A 127 0.027 2.780 9.187 1.00 0.00 O ATOM 0 H GLU A 127 0.882 3.370 3.935 1.00 0.00 H new ATOM 0 HA GLU A 127 -0.287 0.720 4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.057 3.520 5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.949 2.061 5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.039 1.159 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.928 2.621 6.672 1.00 0.00 H new ATOM 548 N PHE A 128 -1.977 0.857 2.774 1.00 0.00 N ATOM 549 CA PHE A 128 -2.937 0.892 1.673 1.00 0.00 C ATOM 550 C PHE A 128 -4.367 1.057 2.181 1.00 0.00 C ATOM 551 O PHE A 128 -5.255 0.285 1.818 1.00 0.00 O ATOM 552 CB PHE A 128 -2.829 -0.377 0.824 1.00 0.00 C ATOM 553 CG PHE A 128 -1.487 -0.553 0.171 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.353 -0.783 0.933 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.361 -0.483 -1.206 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.881 -0.940 0.333 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.130 -0.639 -1.813 1.00 0.00 C ATOM 558 CZ PHE A 128 0.993 -0.868 -1.042 1.00 0.00 C ATOM 0 H PHE A 128 -1.792 -0.076 3.142 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.694 1.757 1.056 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -3.034 -1.243 1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.599 -0.354 0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.435 -0.840 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.236 -0.304 -1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.757 -1.119 0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.046 -0.582 -2.888 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.957 -0.991 -1.513 1.00 0.00 H new ATOM 568 N ARG A 129 -4.588 2.064 3.017 1.00 0.00 N ATOM 569 CA ARG A 129 -5.916 2.320 3.565 1.00 0.00 C ATOM 570 C ARG A 129 -6.913 2.639 2.453 1.00 0.00 C ATOM 571 O ARG A 129 -6.659 3.494 1.606 1.00 0.00 O ATOM 572 CB ARG A 129 -5.864 3.478 4.564 1.00 0.00 C ATOM 573 CG ARG A 129 -4.975 3.207 5.766 1.00 0.00 C ATOM 574 CD ARG A 129 -5.475 2.017 6.572 1.00 0.00 C ATOM 575 NE ARG A 129 -4.640 1.756 7.740 1.00 0.00 N ATOM 576 CZ ARG A 129 -4.504 2.603 8.757 1.00 0.00 C ATOM 577 NH1 ARG A 129 -5.160 3.756 8.760 1.00 0.00 N ATOM 578 NH2 ARG A 129 -3.712 2.294 9.776 1.00 0.00 N ATOM 0 H ARG A 129 -3.868 2.715 3.330 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.248 1.418 4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.506 4.372 4.053 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.875 3.692 4.911 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -3.955 3.018 5.431 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -4.942 4.091 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.500 2.202 6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.495 1.132 5.936 1.00 0.00 H new ATOM 0 HE ARG A 129 -4.131 0.873 7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -5.772 3.997 7.980 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -5.052 4.402 9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -3.208 1.407 9.779 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -3.608 2.943 10.556 1.00 0.00 H new ATOM 592 N CYS A 130 -8.047 1.944 2.463 1.00 0.00 N ATOM 593 CA CYS A 130 -9.079 2.154 1.450 1.00 0.00 C ATOM 594 C CYS A 130 -10.064 3.241 1.875 1.00 0.00 C ATOM 595 O CYS A 130 -10.419 3.351 3.049 1.00 0.00 O ATOM 596 CB CYS A 130 -9.831 0.850 1.179 1.00 0.00 C ATOM 597 SG CYS A 130 -8.776 -0.500 0.562 1.00 0.00 S ATOM 0 H CYS A 130 -8.275 1.233 3.158 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.584 2.481 0.536 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.318 0.525 2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.620 1.042 0.452 1.00 0.00 H new ATOM 602 N ASP A 131 -10.498 4.043 0.904 1.00 0.00 N ATOM 603 CA ASP A 131 -11.443 5.129 1.157 1.00 0.00 C ATOM 604 C ASP A 131 -12.738 4.605 1.781 1.00 0.00 C ATOM 605 O ASP A 131 -13.061 3.424 1.653 1.00 0.00 O ATOM 606 CB ASP A 131 -11.753 5.871 -0.146 1.00 0.00 C ATOM 607 CG ASP A 131 -10.536 6.569 -0.721 1.00 0.00 C ATOM 608 OD1 ASP A 131 -9.461 6.510 -0.087 1.00 0.00 O ATOM 609 OD2 ASP A 131 -10.659 7.179 -1.804 1.00 0.00 O ATOM 0 H ASP A 131 -10.208 3.960 -0.070 1.00 0.00 H new ATOM 0 HA ASP A 131 -10.981 5.818 1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.142 5.164 -0.879 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.537 6.606 0.036 1.00 0.00 H new ATOM 614 N PRO A 132 -13.497 5.485 2.467 1.00 0.00 N ATOM 615 CA PRO A 132 -14.762 5.124 3.114 1.00 0.00 C ATOM 616 C PRO A 132 -15.647 4.263 2.219 1.00 0.00 C ATOM 617 O PRO A 132 -15.508 4.279 0.995 1.00 0.00 O ATOM 618 CB PRO A 132 -15.436 6.479 3.394 1.00 0.00 C ATOM 619 CG PRO A 132 -14.559 7.514 2.760 1.00 0.00 C ATOM 620 CD PRO A 132 -13.191 6.904 2.666 1.00 0.00 C ATOM 0 HA PRO A 132 -14.597 4.528 4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.441 6.509 2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.533 6.653 4.466 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -14.932 7.788 1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.538 8.426 3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -12.617 7.317 1.836 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.608 7.071 3.571 1.00 0.00 H new ATOM 628 N ASP A 133 -16.541 3.493 2.844 1.00 0.00 N ATOM 629 CA ASP A 133 -17.444 2.597 2.119 1.00 0.00 C ATOM 630 C ASP A 133 -16.682 1.385 1.593 1.00 0.00 C ATOM 631 O ASP A 133 -17.279 0.400 1.161 1.00 0.00 O ATOM 632 CB ASP A 133 -18.138 3.327 0.964 1.00 0.00 C ATOM 633 CG ASP A 133 -18.984 4.491 1.440 1.00 0.00 C ATOM 634 OD1 ASP A 133 -18.417 5.438 2.025 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.215 4.457 1.226 1.00 0.00 O ATOM 0 H ASP A 133 -16.659 3.473 3.857 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.210 2.258 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.386 3.691 0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.767 2.623 0.419 1.00 0.00 H new ATOM 640 N PHE A 134 -15.355 1.470 1.645 1.00 0.00 N ATOM 641 CA PHE A 134 -14.489 0.388 1.189 1.00 0.00 C ATOM 642 C PHE A 134 -13.442 0.081 2.255 1.00 0.00 C ATOM 643 O PHE A 134 -12.877 0.994 2.858 1.00 0.00 O ATOM 644 CB PHE A 134 -13.793 0.762 -0.125 1.00 0.00 C ATOM 645 CG PHE A 134 -14.730 0.978 -1.281 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.639 2.026 -1.277 1.00 0.00 C ATOM 647 CD2 PHE A 134 -14.701 0.129 -2.376 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.499 2.221 -2.341 1.00 0.00 C ATOM 649 CE2 PHE A 134 -15.558 0.320 -3.443 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.458 1.368 -3.425 1.00 0.00 C ATOM 0 H PHE A 134 -14.854 2.284 2.001 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.104 -0.495 1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -13.212 1.671 0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.088 -0.027 -0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.675 2.698 -0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.000 -0.692 -2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.203 3.040 -2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -15.524 -0.349 -4.290 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.128 1.519 -4.258 1.00 0.00 H new ATOM 660 N HIS A 135 -13.194 -1.201 2.497 1.00 0.00 N ATOM 661 CA HIS A 135 -12.219 -1.602 3.507 1.00 0.00 C ATOM 662 C HIS A 135 -11.103 -2.450 2.905 1.00 0.00 C ATOM 663 O HIS A 135 -11.351 -3.345 2.093 1.00 0.00 O ATOM 664 CB HIS A 135 -12.912 -2.367 4.637 1.00 0.00 C ATOM 665 CG HIS A 135 -13.575 -3.633 4.191 1.00 0.00 C ATOM 666 ND1 HIS A 135 -14.517 -3.676 3.186 1.00 0.00 N ATOM 667 CD2 HIS A 135 -13.430 -4.907 4.623 1.00 0.00 C ATOM 668 CE1 HIS A 135 -14.923 -4.921 3.019 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.277 -5.688 3.878 1.00 0.00 N ATOM 0 H HIS A 135 -13.649 -1.975 2.013 1.00 0.00 H new ATOM 0 HA HIS A 135 -11.768 -0.696 3.911 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.177 -2.604 5.407 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -13.658 -1.720 5.097 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -12.770 -5.246 5.408 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -15.658 -5.255 2.302 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -14.389 -6.697 3.972 1.00 0.00 H new ATOM 678 N LEU A 136 -9.873 -2.160 3.318 1.00 0.00 N ATOM 679 CA LEU A 136 -8.701 -2.885 2.839 1.00 0.00 C ATOM 680 C LEU A 136 -8.723 -4.322 3.364 1.00 0.00 C ATOM 681 O LEU A 136 -8.916 -4.550 4.558 1.00 0.00 O ATOM 682 CB LEU A 136 -7.427 -2.156 3.295 1.00 0.00 C ATOM 683 CG LEU A 136 -6.104 -2.644 2.690 1.00 0.00 C ATOM 684 CD1 LEU A 136 -5.817 -4.076 3.094 1.00 0.00 C ATOM 685 CD2 LEU A 136 -6.117 -2.515 1.176 1.00 0.00 C ATOM 0 H LEU A 136 -9.661 -1.422 3.989 1.00 0.00 H new ATOM 0 HA LEU A 136 -8.714 -2.921 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.538 -1.097 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.357 -2.238 4.380 1.00 0.00 H new ATOM 0 HG LEU A 136 -5.308 -2.011 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -4.874 -4.397 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.749 -4.141 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -6.621 -4.722 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.168 -2.868 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -6.930 -3.114 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.262 -1.470 0.901 1.00 0.00 H new ATOM 697 N VAL A 137 -8.530 -5.286 2.465 1.00 0.00 N ATOM 698 CA VAL A 137 -8.535 -6.696 2.846 1.00 0.00 C ATOM 699 C VAL A 137 -7.363 -7.452 2.216 1.00 0.00 C ATOM 700 O VAL A 137 -7.566 -8.372 1.423 1.00 0.00 O ATOM 701 CB VAL A 137 -9.855 -7.381 2.434 1.00 0.00 C ATOM 702 CG1 VAL A 137 -9.938 -8.787 3.012 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.050 -6.550 2.868 1.00 0.00 C ATOM 0 H VAL A 137 -8.369 -5.117 1.472 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.436 -6.728 3.931 1.00 0.00 H new ATOM 0 HB VAL A 137 -9.871 -7.460 1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.877 -9.250 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.103 -9.382 2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.894 -8.736 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -11.970 -7.051 2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -11.038 -6.433 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.001 -5.568 2.397 1.00 0.00 H new ATOM 713 N GLY A 138 -6.137 -7.065 2.563 1.00 0.00 N ATOM 714 CA GLY A 138 -4.978 -7.735 2.002 1.00 0.00 C ATOM 715 C GLY A 138 -3.665 -7.237 2.573 1.00 0.00 C ATOM 716 O GLY A 138 -3.518 -7.106 3.787 1.00 0.00 O ATOM 0 H GLY A 138 -5.928 -6.309 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.063 -8.806 2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.973 -7.594 0.921 1.00 0.00 H new ATOM 720 N SER A 139 -2.707 -6.974 1.686 1.00 0.00 N ATOM 721 CA SER A 139 -1.390 -6.496 2.075 1.00 0.00 C ATOM 722 C SER A 139 -1.432 -5.029 2.497 1.00 0.00 C ATOM 723 O SER A 139 -0.718 -4.193 1.941 1.00 0.00 O ATOM 724 CB SER A 139 -0.419 -6.679 0.911 1.00 0.00 C ATOM 725 OG SER A 139 -0.285 -8.046 0.565 1.00 0.00 O ATOM 0 H SER A 139 -2.826 -7.087 0.679 1.00 0.00 H new ATOM 0 HA SER A 139 -1.052 -7.078 2.932 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.772 -6.116 0.047 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.556 -6.272 1.180 1.00 0.00 H new ATOM 0 HG SER A 139 0.341 -8.134 -0.184 1.00 0.00 H new ATOM 731 N SER A 140 -2.274 -4.723 3.476 1.00 0.00 N ATOM 732 CA SER A 140 -2.418 -3.361 3.973 1.00 0.00 C ATOM 733 C SER A 140 -1.068 -2.785 4.399 1.00 0.00 C ATOM 734 O SER A 140 -0.781 -1.612 4.163 1.00 0.00 O ATOM 735 CB SER A 140 -3.397 -3.337 5.147 1.00 0.00 C ATOM 736 OG SER A 140 -3.614 -2.014 5.608 1.00 0.00 O ATOM 0 H SER A 140 -2.871 -5.405 3.944 1.00 0.00 H new ATOM 0 HA SER A 140 -2.809 -2.741 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.346 -3.778 4.842 1.00 0.00 H new ATOM 0 HB3 SER A 140 -3.008 -3.949 5.961 1.00 0.00 H new ATOM 0 HG SER A 140 -4.245 -2.028 6.358 1.00 0.00 H new ATOM 742 N ARG A 141 -0.244 -3.619 5.029 1.00 0.00 N ATOM 743 CA ARG A 141 1.075 -3.192 5.487 1.00 0.00 C ATOM 744 C ARG A 141 2.164 -3.629 4.510 1.00 0.00 C ATOM 745 O ARG A 141 2.225 -4.792 4.117 1.00 0.00 O ATOM 746 CB ARG A 141 1.359 -3.763 6.880 1.00 0.00 C ATOM 747 CG ARG A 141 2.723 -3.381 7.430 1.00 0.00 C ATOM 748 CD ARG A 141 2.959 -3.979 8.809 1.00 0.00 C ATOM 749 NE ARG A 141 2.887 -5.438 8.793 1.00 0.00 N ATOM 750 CZ ARG A 141 3.076 -6.199 9.868 1.00 0.00 C ATOM 751 NH1 ARG A 141 3.348 -5.640 11.040 1.00 0.00 N ATOM 752 NH2 ARG A 141 2.994 -7.519 9.772 1.00 0.00 N ATOM 0 H ARG A 141 -0.466 -4.593 5.234 1.00 0.00 H new ATOM 0 HA ARG A 141 1.080 -2.103 5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.589 -3.416 7.569 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.285 -4.850 6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 141 3.500 -3.723 6.747 1.00 0.00 H new ATOM 0 HG3 ARG A 141 2.803 -2.295 7.485 1.00 0.00 H new ATOM 0 HD2 ARG A 141 3.937 -3.668 9.176 1.00 0.00 H new ATOM 0 HD3 ARG A 141 2.218 -3.587 9.506 1.00 0.00 H new ATOM 0 HE ARG A 141 2.680 -5.900 7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 141 3.413 -4.625 11.118 1.00 0.00 H new ATOM 0 HH12 ARG A 141 3.493 -6.225 11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 141 2.786 -7.953 8.873 1.00 0.00 H new ATOM 0 HH22 ARG A 141 3.139 -8.100 10.597 1.00 0.00 H new ATOM 766 N SER A 142 3.023 -2.687 4.126 1.00 0.00 N ATOM 767 CA SER A 142 4.116 -2.968 3.194 1.00 0.00 C ATOM 768 C SER A 142 5.332 -2.107 3.519 1.00 0.00 C ATOM 769 O SER A 142 5.193 -0.973 3.976 1.00 0.00 O ATOM 770 CB SER A 142 3.665 -2.704 1.755 1.00 0.00 C ATOM 771 OG SER A 142 2.557 -3.516 1.410 1.00 0.00 O ATOM 0 H SER A 142 2.984 -1.719 4.446 1.00 0.00 H new ATOM 0 HA SER A 142 4.392 -4.018 3.296 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.399 -1.653 1.641 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.490 -2.900 1.070 1.00 0.00 H new ATOM 0 HG SER A 142 2.703 -4.427 1.742 1.00 0.00 H new ATOM 777 N VAL A 143 6.526 -2.649 3.290 1.00 0.00 N ATOM 778 CA VAL A 143 7.756 -1.917 3.572 1.00 0.00 C ATOM 779 C VAL A 143 8.847 -2.250 2.557 1.00 0.00 C ATOM 780 O VAL A 143 9.104 -3.418 2.261 1.00 0.00 O ATOM 781 CB VAL A 143 8.274 -2.224 4.992 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.529 -3.714 5.161 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.532 -1.422 5.292 1.00 0.00 C ATOM 0 H VAL A 143 6.667 -3.586 2.913 1.00 0.00 H new ATOM 0 HA VAL A 143 7.517 -0.856 3.500 1.00 0.00 H new ATOM 0 HB VAL A 143 7.506 -1.928 5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.894 -3.909 6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.601 -4.263 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.275 -4.040 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.880 -1.654 6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.308 -1.679 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.310 -0.357 5.221 1.00 0.00 H new ATOM 793 N CYS A 144 9.485 -1.210 2.028 1.00 0.00 N ATOM 794 CA CYS A 144 10.552 -1.378 1.046 1.00 0.00 C ATOM 795 C CYS A 144 11.818 -1.926 1.699 1.00 0.00 C ATOM 796 O CYS A 144 12.256 -1.429 2.736 1.00 0.00 O ATOM 797 CB CYS A 144 10.852 -0.044 0.360 1.00 0.00 C ATOM 798 SG CYS A 144 12.264 -0.092 -0.791 1.00 0.00 S ATOM 0 H CYS A 144 9.281 -0.239 2.264 1.00 0.00 H new ATOM 0 HA CYS A 144 10.215 -2.097 0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.965 0.278 -0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 144 11.047 0.708 1.124 1.00 0.00 H new ATOM 803 N SER A 145 12.403 -2.947 1.077 1.00 0.00 N ATOM 804 CA SER A 145 13.623 -3.566 1.587 1.00 0.00 C ATOM 805 C SER A 145 14.256 -4.468 0.531 1.00 0.00 C ATOM 806 O SER A 145 13.581 -5.305 -0.067 1.00 0.00 O ATOM 807 CB SER A 145 13.327 -4.385 2.847 1.00 0.00 C ATOM 808 OG SER A 145 12.872 -3.560 3.905 1.00 0.00 O ATOM 0 H SER A 145 12.050 -3.364 0.216 1.00 0.00 H new ATOM 0 HA SER A 145 14.322 -2.767 1.836 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.574 -5.140 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 145 14.227 -4.915 3.158 1.00 0.00 H new ATOM 0 HG SER A 145 12.968 -2.619 3.650 1.00 0.00 H new ATOM 814 N GLN A 146 15.557 -4.294 0.315 1.00 0.00 N ATOM 815 CA GLN A 146 16.290 -5.092 -0.663 1.00 0.00 C ATOM 816 C GLN A 146 15.654 -4.996 -2.049 1.00 0.00 C ATOM 817 O GLN A 146 15.502 -6.001 -2.744 1.00 0.00 O ATOM 818 CB GLN A 146 16.354 -6.556 -0.216 1.00 0.00 C ATOM 819 CG GLN A 146 17.057 -6.757 1.119 1.00 0.00 C ATOM 820 CD GLN A 146 18.507 -6.309 1.094 1.00 0.00 C ATOM 821 OE1 GLN A 146 18.803 -5.132 0.886 1.00 0.00 O ATOM 822 NE2 GLN A 146 19.419 -7.248 1.308 1.00 0.00 N ATOM 0 H GLN A 146 16.127 -3.605 0.806 1.00 0.00 H new ATOM 0 HA GLN A 146 17.302 -4.692 -0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 146 15.340 -6.950 -0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 146 16.870 -7.138 -0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 146 16.524 -6.204 1.892 1.00 0.00 H new ATOM 0 HG3 GLN A 146 17.012 -7.811 1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 146 19.129 -8.211 1.476 1.00 0.00 H new ATOM 0 HE22 GLN A 146 20.410 -7.007 1.304 1.00 0.00 H new ATOM 831 N GLY A 147 15.293 -3.778 -2.446 1.00 0.00 N ATOM 832 CA GLY A 147 14.685 -3.570 -3.749 1.00 0.00 C ATOM 833 C GLY A 147 13.421 -4.384 -3.949 1.00 0.00 C ATOM 834 O GLY A 147 13.233 -4.998 -5.000 1.00 0.00 O ATOM 0 H GLY A 147 15.411 -2.932 -1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 147 14.453 -2.512 -3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 147 15.405 -3.830 -4.525 1.00 0.00 H new ATOM 838 N GLN A 148 12.555 -4.385 -2.941 1.00 0.00 N ATOM 839 CA GLN A 148 11.298 -5.125 -3.004 1.00 0.00 C ATOM 840 C GLN A 148 10.472 -4.891 -1.742 1.00 0.00 C ATOM 841 O GLN A 148 11.018 -4.801 -0.643 1.00 0.00 O ATOM 842 CB GLN A 148 11.563 -6.622 -3.191 1.00 0.00 C ATOM 843 CG GLN A 148 12.378 -7.246 -2.069 1.00 0.00 C ATOM 844 CD GLN A 148 12.640 -8.728 -2.276 1.00 0.00 C ATOM 845 OE1 GLN A 148 13.252 -9.382 -1.431 1.00 0.00 O ATOM 846 NE2 GLN A 148 12.186 -9.268 -3.403 1.00 0.00 N ATOM 0 H GLN A 148 12.701 -3.880 -2.067 1.00 0.00 H new ATOM 0 HA GLN A 148 10.733 -4.761 -3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.609 -7.144 -3.268 1.00 0.00 H new ATOM 0 HB3 GLN A 148 12.086 -6.774 -4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 148 13.331 -6.723 -1.986 1.00 0.00 H new ATOM 0 HG3 GLN A 148 11.853 -7.104 -1.124 1.00 0.00 H new ATOM 0 HE21 GLN A 148 11.683 -8.692 -4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 148 12.340 -10.258 -3.592 1.00 0.00 H new ATOM 855 N TRP A 149 9.157 -4.787 -1.906 1.00 0.00 N ATOM 856 CA TRP A 149 8.267 -4.555 -0.774 1.00 0.00 C ATOM 857 C TRP A 149 7.916 -5.868 -0.080 1.00 0.00 C ATOM 858 O TRP A 149 7.789 -6.908 -0.727 1.00 0.00 O ATOM 859 CB TRP A 149 6.985 -3.850 -1.228 1.00 0.00 C ATOM 860 CG TRP A 149 7.229 -2.552 -1.939 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.694 -2.388 -3.213 1.00 0.00 C ATOM 862 CD2 TRP A 149 7.032 -1.236 -1.410 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.783 -1.050 -3.513 1.00 0.00 N ATOM 864 CE2 TRP A 149 7.387 -0.322 -2.422 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.587 -0.741 -0.183 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.309 1.057 -2.241 1.00 0.00 C ATOM 867 CZ3 TRP A 149 6.512 0.628 -0.004 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.870 1.513 -1.028 1.00 0.00 C ATOM 0 H TRP A 149 8.686 -4.859 -2.808 1.00 0.00 H new ATOM 0 HA TRP A 149 8.791 -3.913 -0.065 1.00 0.00 H new ATOM 0 HB2 TRP A 149 6.429 -4.516 -1.888 1.00 0.00 H new ATOM 0 HB3 TRP A 149 6.355 -3.664 -0.358 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.954 -3.192 -3.886 1.00 0.00 H new ATOM 0 HE1 TRP A 149 8.094 -0.662 -4.404 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.306 -1.415 0.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.585 1.741 -3.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 6.171 1.021 0.942 1.00 0.00 H new ATOM 0 HH2 TRP A 149 6.798 2.577 -0.857 1.00 0.00 H new ATOM 879 N SER A 150 7.768 -5.810 1.242 1.00 0.00 N ATOM 880 CA SER A 150 7.441 -6.993 2.033 1.00 0.00 C ATOM 881 C SER A 150 6.219 -7.709 1.467 1.00 0.00 C ATOM 882 O SER A 150 6.244 -8.922 1.257 1.00 0.00 O ATOM 883 CB SER A 150 7.189 -6.601 3.491 1.00 0.00 C ATOM 884 OG SER A 150 6.878 -7.736 4.281 1.00 0.00 O ATOM 0 H SER A 150 7.870 -4.955 1.788 1.00 0.00 H new ATOM 0 HA SER A 150 8.290 -7.676 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 150 8.072 -6.105 3.895 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.369 -5.884 3.541 1.00 0.00 H new ATOM 0 HG SER A 150 6.723 -7.457 5.208 1.00 0.00 H new ATOM 890 N THR A 151 5.153 -6.956 1.218 1.00 0.00 N ATOM 891 CA THR A 151 3.928 -7.529 0.672 1.00 0.00 C ATOM 892 C THR A 151 3.471 -6.766 -0.568 1.00 0.00 C ATOM 893 O THR A 151 3.561 -5.540 -0.616 1.00 0.00 O ATOM 894 CB THR A 151 2.791 -7.523 1.708 1.00 0.00 C ATOM 895 OG1 THR A 151 2.472 -6.176 2.070 1.00 0.00 O ATOM 896 CG2 THR A 151 3.185 -8.308 2.951 1.00 0.00 C ATOM 0 H THR A 151 5.112 -5.951 1.385 1.00 0.00 H new ATOM 0 HA THR A 151 4.156 -8.560 0.402 1.00 0.00 H new ATOM 0 HB THR A 151 1.918 -7.998 1.262 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.573 -6.065 3.038 1.00 0.00 H new ATOM 0 HG21 THR A 151 2.365 -8.289 3.669 1.00 0.00 H new ATOM 0 HG22 THR A 151 3.403 -9.340 2.676 1.00 0.00 H new ATOM 0 HG23 THR A 151 4.070 -7.858 3.400 1.00 0.00 H new ATOM 904 N PRO A 152 2.975 -7.484 -1.594 1.00 0.00 N ATOM 905 CA PRO A 152 2.508 -6.863 -2.841 1.00 0.00 C ATOM 906 C PRO A 152 1.360 -5.884 -2.611 1.00 0.00 C ATOM 907 O PRO A 152 1.094 -5.476 -1.480 1.00 0.00 O ATOM 908 CB PRO A 152 2.034 -8.052 -3.687 1.00 0.00 C ATOM 909 CG PRO A 152 2.707 -9.242 -3.092 1.00 0.00 C ATOM 910 CD PRO A 152 2.837 -8.950 -1.626 1.00 0.00 C ATOM 0 HA PRO A 152 3.294 -6.275 -3.315 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.949 -8.154 -3.652 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.309 -7.926 -4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 152 2.122 -10.146 -3.260 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.684 -9.406 -3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.963 -9.286 -1.068 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.704 -9.447 -1.190 1.00 0.00 H new ATOM 918 N LYS A 153 0.685 -5.506 -3.692 1.00 0.00 N ATOM 919 CA LYS A 153 -0.432 -4.571 -3.607 1.00 0.00 C ATOM 920 C LYS A 153 -1.740 -5.306 -3.310 1.00 0.00 C ATOM 921 O LYS A 153 -2.115 -6.232 -4.029 1.00 0.00 O ATOM 922 CB LYS A 153 -0.559 -3.787 -4.915 1.00 0.00 C ATOM 923 CG LYS A 153 -1.569 -2.655 -4.853 1.00 0.00 C ATOM 924 CD LYS A 153 -1.705 -1.959 -6.197 1.00 0.00 C ATOM 925 CE LYS A 153 -2.602 -0.736 -6.103 1.00 0.00 C ATOM 926 NZ LYS A 153 -2.818 -0.105 -7.434 1.00 0.00 N ATOM 0 H LYS A 153 0.891 -5.832 -4.636 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.235 -3.878 -2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.416 -3.378 -5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -0.844 -4.473 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.538 -3.047 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -1.262 -1.932 -4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.719 -1.662 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -2.114 -2.656 -6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.563 -1.022 -5.676 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -2.156 -0.009 -5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.435 0.726 -7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -1.903 0.191 -7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.267 -0.790 -8.074 1.00 0.00 H new ATOM 940 N PRO A 154 -2.454 -4.903 -2.242 1.00 0.00 N ATOM 941 CA PRO A 154 -3.723 -5.531 -1.858 1.00 0.00 C ATOM 942 C PRO A 154 -4.880 -5.122 -2.765 1.00 0.00 C ATOM 943 O PRO A 154 -4.683 -4.800 -3.936 1.00 0.00 O ATOM 944 CB PRO A 154 -3.950 -5.011 -0.440 1.00 0.00 C ATOM 945 CG PRO A 154 -3.274 -3.684 -0.417 1.00 0.00 C ATOM 946 CD PRO A 154 -2.081 -3.808 -1.327 1.00 0.00 C ATOM 0 HA PRO A 154 -3.679 -6.617 -1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.013 -4.919 -0.216 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.525 -5.686 0.303 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -3.946 -2.898 -0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -2.967 -3.421 0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -1.891 -2.881 -1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.174 -4.043 -0.769 1.00 0.00 H new ATOM 954 N HIS A 155 -6.090 -5.137 -2.210 1.00 0.00 N ATOM 955 CA HIS A 155 -7.287 -4.767 -2.956 1.00 0.00 C ATOM 956 C HIS A 155 -8.377 -4.249 -2.022 1.00 0.00 C ATOM 957 O HIS A 155 -8.505 -4.709 -0.887 1.00 0.00 O ATOM 958 CB HIS A 155 -7.806 -5.964 -3.757 1.00 0.00 C ATOM 959 CG HIS A 155 -8.051 -7.184 -2.925 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.052 -7.828 -2.224 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.187 -7.882 -2.683 1.00 0.00 C ATOM 962 CE1 HIS A 155 -7.563 -8.868 -1.589 1.00 0.00 C ATOM 963 NE2 HIS A 155 -8.855 -8.922 -1.851 1.00 0.00 N ATOM 0 H HIS A 155 -6.266 -5.403 -1.241 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.020 -3.967 -3.646 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -8.734 -5.682 -4.255 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.086 -6.207 -4.539 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.170 -7.661 -3.072 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.016 -9.557 -0.962 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -9.503 -9.624 -1.493 1.00 0.00 H new ATOM 972 N CYS A 156 -9.163 -3.293 -2.507 1.00 0.00 N ATOM 973 CA CYS A 156 -10.246 -2.718 -1.714 1.00 0.00 C ATOM 974 C CYS A 156 -11.578 -3.370 -2.072 1.00 0.00 C ATOM 975 O CYS A 156 -11.910 -3.517 -3.248 1.00 0.00 O ATOM 976 CB CYS A 156 -10.333 -1.207 -1.941 1.00 0.00 C ATOM 977 SG CYS A 156 -8.837 -0.288 -1.455 1.00 0.00 S ATOM 0 H CYS A 156 -9.071 -2.900 -3.444 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.032 -2.907 -0.662 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -10.533 -1.021 -2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.183 -0.816 -1.382 1.00 0.00 H new ATOM 982 N GLN A 157 -12.334 -3.764 -1.052 1.00 0.00 N ATOM 983 CA GLN A 157 -13.627 -4.405 -1.263 1.00 0.00 C ATOM 984 C GLN A 157 -14.773 -3.432 -1.004 1.00 0.00 C ATOM 985 O GLN A 157 -14.701 -2.601 -0.097 1.00 0.00 O ATOM 986 CB GLN A 157 -13.770 -5.632 -0.361 1.00 0.00 C ATOM 987 CG GLN A 157 -15.063 -6.399 -0.581 1.00 0.00 C ATOM 988 CD GLN A 157 -15.157 -7.646 0.277 1.00 0.00 C ATOM 989 OE1 GLN A 157 -15.105 -7.575 1.504 1.00 0.00 O ATOM 990 NE2 GLN A 157 -15.300 -8.798 -0.369 1.00 0.00 N ATOM 0 H GLN A 157 -12.074 -3.651 -0.072 1.00 0.00 H new ATOM 0 HA GLN A 157 -13.675 -4.722 -2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -12.927 -6.300 -0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.717 -5.315 0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -15.909 -5.747 -0.362 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.140 -6.679 -1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.338 -8.810 -1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -15.372 -9.671 0.154 1.00 0.00 H new ATOM 999 N VAL A 158 -15.827 -3.543 -1.807 1.00 0.00 N ATOM 1000 CA VAL A 158 -16.996 -2.680 -1.671 1.00 0.00 C ATOM 1001 C VAL A 158 -17.733 -2.965 -0.366 1.00 0.00 C ATOM 1002 O VAL A 158 -18.740 -3.674 -0.351 1.00 0.00 O ATOM 1003 CB VAL A 158 -17.970 -2.861 -2.853 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -19.155 -1.916 -2.723 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -17.253 -2.642 -4.176 1.00 0.00 C ATOM 0 H VAL A 158 -15.895 -4.225 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.636 -1.651 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 158 -18.346 -3.884 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.830 -2.060 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.686 -2.124 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -18.799 -0.886 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -17.957 -2.774 -4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -16.846 -1.631 -4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -16.442 -3.363 -4.274 1.00 0.00 H new ATOM 1015 N ASN A 159 -17.222 -2.413 0.728 1.00 0.00 N ATOM 1016 CA ASN A 159 -17.827 -2.611 2.039 1.00 0.00 C ATOM 1017 C ASN A 159 -19.278 -2.135 2.051 1.00 0.00 C ATOM 1018 O ASN A 159 -20.059 -2.645 2.882 1.00 0.00 O ATOM 1019 CB ASN A 159 -17.025 -1.865 3.106 1.00 0.00 C ATOM 1020 CG ASN A 159 -17.672 -1.931 4.474 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -17.877 -3.012 5.027 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -17.998 -0.769 5.026 1.00 0.00 N ATOM 1023 OXT ASN A 159 -19.620 -1.260 1.228 1.00 0.00 O ATOM 0 H ASN A 159 -16.389 -1.824 0.733 1.00 0.00 H new ATOM 0 HA ASN A 159 -17.815 -3.678 2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -16.022 -2.287 3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -16.916 -0.822 2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.438 -0.747 5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -17.809 0.102 4.530 1.00 0.00 H new TER 1030 ASN A 159