USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 467 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= -1.47! C(o=-2.1!,f=-7!) USER MOD Set 1.2: A 159 ASN :FLIP amide:sc= -0.59 F(o=-5.7!,f=-2.1) USER MOD Single : A 100 SER OG : rot -63:sc= 1.15 USER MOD Single : A 101 LYS NZ :NH3+ 142:sc= -3.35! (180deg=-5.93!) USER MOD Single : A 102 SER OG : rot 180:sc=-0.00754 USER MOD Single : A 103 TYR OH : rot 130:sc= -1.68! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -16:sc= 0.77 USER MOD Single : A 139 SER OG : rot 123:sc= 1.05 USER MOD Single : A 140 SER OG : rot 180:sc= -0.553 USER MOD Single : A 142 SER OG : rot -115:sc= -0.951 USER MOD Single : A 145 SER OG : rot -9:sc= 0.522 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot -170:sc= 0 USER MOD Single : A 151 THR OG1 : rot -125:sc= 0.32 USER MOD Single : A 153 LYS NZ :NH3+ 138:sc= 1.21 (180deg=-0.015) USER MOD Single : A 155 HIS : no HD1:sc= -0.348 K(o=-0.35,f=-0.99) USER MOD Single : A 157 GLN : amide:sc= -0.497 K(o=-0.5,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 97 18.210 0.499 -6.709 1.00 0.00 N ATOM 80 CA ARG A 97 17.065 -0.331 -7.071 1.00 0.00 C ATOM 81 C ARG A 97 15.853 -0.024 -6.194 1.00 0.00 C ATOM 82 O ARG A 97 15.319 -0.911 -5.530 1.00 0.00 O ATOM 83 CB ARG A 97 17.431 -1.814 -6.961 1.00 0.00 C ATOM 84 CG ARG A 97 18.543 -2.238 -7.907 1.00 0.00 C ATOM 85 CD ARG A 97 18.143 -2.045 -9.361 1.00 0.00 C ATOM 86 NE ARG A 97 19.217 -2.409 -10.279 1.00 0.00 N ATOM 87 CZ ARG A 97 19.114 -2.332 -11.603 1.00 0.00 C ATOM 88 NH1 ARG A 97 17.986 -1.909 -12.159 1.00 0.00 N ATOM 89 NH2 ARG A 97 20.139 -2.676 -12.371 1.00 0.00 N ATOM 0 HA ARG A 97 16.800 -0.102 -8.103 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.735 -2.030 -5.937 1.00 0.00 H new ATOM 0 HB3 ARG A 97 16.544 -2.415 -7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 97 19.442 -1.659 -7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 97 18.791 -3.285 -7.733 1.00 0.00 H new ATOM 0 HD2 ARG A 97 17.262 -2.649 -9.577 1.00 0.00 H new ATOM 0 HD3 ARG A 97 17.864 -1.004 -9.525 1.00 0.00 H new ATOM 0 HE ARG A 97 20.096 -2.741 -9.883 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.196 -1.642 -11.571 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.909 -1.850 -13.174 1.00 0.00 H new ATOM 0 HH21 ARG A 97 21.008 -3.000 -11.947 1.00 0.00 H new ATOM 0 HH22 ARG A 97 20.058 -2.616 -13.386 1.00 0.00 H new ATOM 103 N ILE A 98 15.423 1.235 -6.196 1.00 0.00 N ATOM 104 CA ILE A 98 14.275 1.654 -5.399 1.00 0.00 C ATOM 105 C ILE A 98 13.069 0.751 -5.647 1.00 0.00 C ATOM 106 O ILE A 98 12.806 0.344 -6.779 1.00 0.00 O ATOM 107 CB ILE A 98 13.871 3.117 -5.691 1.00 0.00 C ATOM 108 CG1 ILE A 98 13.372 3.278 -7.135 1.00 0.00 C ATOM 109 CG2 ILE A 98 15.039 4.052 -5.418 1.00 0.00 C ATOM 110 CD1 ILE A 98 14.433 3.056 -8.192 1.00 0.00 C ATOM 0 H ILE A 98 15.853 1.982 -6.741 1.00 0.00 H new ATOM 0 HA ILE A 98 14.582 1.575 -4.356 1.00 0.00 H new ATOM 0 HB ILE A 98 13.050 3.382 -5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.555 2.576 -7.305 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.961 4.280 -7.255 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.740 5.079 -5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.336 3.967 -4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.879 3.781 -6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 98 13.995 3.189 -9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 98 15.241 3.775 -8.053 1.00 0.00 H new ATOM 0 HD13 ILE A 98 14.828 2.044 -8.104 1.00 0.00 H new ATOM 122 N CYS A 99 12.340 0.443 -4.577 1.00 0.00 N ATOM 123 CA CYS A 99 11.159 -0.409 -4.669 1.00 0.00 C ATOM 124 C CYS A 99 10.163 0.142 -5.686 1.00 0.00 C ATOM 125 O CYS A 99 10.186 1.329 -6.012 1.00 0.00 O ATOM 126 CB CYS A 99 10.491 -0.544 -3.300 1.00 0.00 C ATOM 127 SG CYS A 99 11.472 -1.476 -2.081 1.00 0.00 S ATOM 0 H CYS A 99 12.548 0.772 -3.634 1.00 0.00 H new ATOM 0 HA CYS A 99 11.481 -1.395 -5.005 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.292 0.452 -2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.526 -1.035 -3.426 1.00 0.00 H new ATOM 132 N SER A 100 9.300 -0.736 -6.191 1.00 0.00 N ATOM 133 CA SER A 100 8.300 -0.354 -7.185 1.00 0.00 C ATOM 134 C SER A 100 7.563 0.917 -6.771 1.00 0.00 C ATOM 135 O SER A 100 7.050 1.018 -5.657 1.00 0.00 O ATOM 136 CB SER A 100 7.296 -1.491 -7.382 1.00 0.00 C ATOM 137 OG SER A 100 6.500 -1.673 -6.227 1.00 0.00 O ATOM 0 H SER A 100 9.273 -1.721 -5.927 1.00 0.00 H new ATOM 0 HA SER A 100 8.819 -0.158 -8.123 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.657 -1.272 -8.237 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.828 -2.415 -7.610 1.00 0.00 H new ATOM 0 HG SER A 100 7.071 -1.934 -5.474 1.00 0.00 H new ATOM 143 N LYS A 101 7.516 1.884 -7.683 1.00 0.00 N ATOM 144 CA LYS A 101 6.846 3.156 -7.428 1.00 0.00 C ATOM 145 C LYS A 101 5.334 3.032 -7.616 1.00 0.00 C ATOM 146 O LYS A 101 4.569 3.845 -7.101 1.00 0.00 O ATOM 147 CB LYS A 101 7.401 4.242 -8.352 1.00 0.00 C ATOM 148 CG LYS A 101 8.893 4.480 -8.182 1.00 0.00 C ATOM 149 CD LYS A 101 9.404 5.589 -9.096 1.00 0.00 C ATOM 150 CE LYS A 101 9.372 5.186 -10.564 1.00 0.00 C ATOM 151 NZ LYS A 101 7.983 5.014 -11.073 1.00 0.00 N ATOM 0 H LYS A 101 7.936 1.810 -8.610 1.00 0.00 H new ATOM 0 HA LYS A 101 7.038 3.435 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.201 3.964 -9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.869 5.174 -8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.102 4.740 -7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.434 3.558 -8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.797 6.483 -8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.425 5.848 -8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.883 5.944 -11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.922 4.254 -10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.924 5.371 -12.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.730 4.005 -11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.324 5.545 -10.469 1.00 0.00 H new ATOM 165 N SER A 102 4.917 2.021 -8.370 1.00 0.00 N ATOM 166 CA SER A 102 3.498 1.795 -8.644 1.00 0.00 C ATOM 167 C SER A 102 2.680 1.732 -7.355 1.00 0.00 C ATOM 168 O SER A 102 1.572 2.267 -7.290 1.00 0.00 O ATOM 169 CB SER A 102 3.314 0.502 -9.439 1.00 0.00 C ATOM 170 OG SER A 102 3.817 -0.613 -8.724 1.00 0.00 O ATOM 0 H SER A 102 5.542 1.342 -8.805 1.00 0.00 H new ATOM 0 HA SER A 102 3.136 2.638 -9.232 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.256 0.352 -9.655 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.827 0.585 -10.397 1.00 0.00 H new ATOM 0 HG SER A 102 3.686 -1.427 -9.253 1.00 0.00 H new ATOM 176 N TYR A 103 3.225 1.072 -6.339 1.00 0.00 N ATOM 177 CA TYR A 103 2.540 0.932 -5.055 1.00 0.00 C ATOM 178 C TYR A 103 2.099 2.286 -4.504 1.00 0.00 C ATOM 179 O TYR A 103 1.083 2.380 -3.814 1.00 0.00 O ATOM 180 CB TYR A 103 3.438 0.216 -4.044 1.00 0.00 C ATOM 181 CG TYR A 103 3.562 -1.275 -4.284 1.00 0.00 C ATOM 182 CD1 TYR A 103 3.614 -1.793 -5.573 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.627 -2.163 -3.219 1.00 0.00 C ATOM 184 CE1 TYR A 103 3.726 -3.152 -5.792 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.739 -3.525 -3.430 1.00 0.00 C ATOM 186 CZ TYR A 103 3.789 -4.014 -4.719 1.00 0.00 C ATOM 187 OH TYR A 103 3.904 -5.366 -4.936 1.00 0.00 O ATOM 0 H TYR A 103 4.141 0.624 -6.378 1.00 0.00 H new ATOM 0 HA TYR A 103 1.646 0.332 -5.222 1.00 0.00 H new ATOM 0 HB2 TYR A 103 4.432 0.663 -4.074 1.00 0.00 H new ATOM 0 HB3 TYR A 103 3.044 0.382 -3.041 1.00 0.00 H new ATOM 0 HD1 TYR A 103 3.566 -1.121 -6.417 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.589 -1.784 -2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.764 -3.537 -6.800 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.787 -4.202 -2.590 1.00 0.00 H new ATOM 0 HH TYR A 103 4.640 -5.723 -4.396 1.00 0.00 H new ATOM 197 N LEU A 104 2.864 3.332 -4.810 1.00 0.00 N ATOM 198 CA LEU A 104 2.542 4.678 -4.341 1.00 0.00 C ATOM 199 C LEU A 104 1.090 5.031 -4.653 1.00 0.00 C ATOM 200 O LEU A 104 0.388 5.602 -3.821 1.00 0.00 O ATOM 201 CB LEU A 104 3.477 5.706 -4.984 1.00 0.00 C ATOM 202 CG LEU A 104 4.957 5.555 -4.626 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.796 6.556 -5.407 1.00 0.00 C ATOM 204 CD2 LEU A 104 5.168 5.738 -3.130 1.00 0.00 C ATOM 0 H LEU A 104 3.709 3.274 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 104 2.679 4.699 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.373 5.640 -6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.149 6.704 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 104 5.275 4.548 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.846 6.436 -5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.670 6.381 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.474 7.569 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.227 5.627 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.833 6.732 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.595 4.986 -2.587 1.00 0.00 H new ATOM 216 N THR A 105 0.647 4.687 -5.859 1.00 0.00 N ATOM 217 CA THR A 105 -0.721 4.964 -6.280 1.00 0.00 C ATOM 218 C THR A 105 -1.624 3.757 -6.039 1.00 0.00 C ATOM 219 O THR A 105 -1.208 2.614 -6.229 1.00 0.00 O ATOM 220 CB THR A 105 -0.783 5.352 -7.770 1.00 0.00 C ATOM 221 OG1 THR A 105 0.062 6.482 -8.017 1.00 0.00 O ATOM 222 CG2 THR A 105 -2.210 5.684 -8.185 1.00 0.00 C ATOM 0 H THR A 105 1.217 4.216 -6.562 1.00 0.00 H new ATOM 0 HA THR A 105 -1.074 5.803 -5.681 1.00 0.00 H new ATOM 0 HB THR A 105 -0.437 4.502 -8.358 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.019 6.722 -8.966 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.228 5.955 -9.241 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.848 4.815 -8.022 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.577 6.520 -7.590 1.00 0.00 H new ATOM 230 N LEU A 106 -2.862 4.015 -5.626 1.00 0.00 N ATOM 231 CA LEU A 106 -3.820 2.943 -5.366 1.00 0.00 C ATOM 232 C LEU A 106 -5.233 3.374 -5.741 1.00 0.00 C ATOM 233 O LEU A 106 -5.711 4.420 -5.302 1.00 0.00 O ATOM 234 CB LEU A 106 -3.777 2.534 -3.892 1.00 0.00 C ATOM 235 CG LEU A 106 -4.757 1.426 -3.491 1.00 0.00 C ATOM 236 CD1 LEU A 106 -4.548 0.182 -4.346 1.00 0.00 C ATOM 237 CD2 LEU A 106 -4.603 1.089 -2.016 1.00 0.00 C ATOM 0 H LEU A 106 -3.225 4.954 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.542 2.087 -5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.766 2.206 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.980 3.414 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.770 1.790 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.255 -0.591 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.709 0.430 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.530 -0.185 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.306 0.301 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.585 0.748 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.807 1.976 -1.417 1.00 0.00 H new ATOM 249 N GLU A 107 -5.898 2.557 -6.553 1.00 0.00 N ATOM 250 CA GLU A 107 -7.259 2.851 -6.986 1.00 0.00 C ATOM 251 C GLU A 107 -8.254 2.642 -5.857 1.00 0.00 C ATOM 252 O GLU A 107 -8.107 1.734 -5.038 1.00 0.00 O ATOM 253 CB GLU A 107 -7.649 1.985 -8.181 1.00 0.00 C ATOM 254 CG GLU A 107 -6.894 2.334 -9.450 1.00 0.00 C ATOM 255 CD GLU A 107 -7.108 3.771 -9.882 1.00 0.00 C ATOM 256 OE1 GLU A 107 -8.273 4.152 -10.122 1.00 0.00 O ATOM 257 OE2 GLU A 107 -6.111 4.517 -9.979 1.00 0.00 O ATOM 0 H GLU A 107 -5.516 1.687 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.286 3.899 -7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.469 0.938 -7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.719 2.090 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -5.829 2.161 -9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.211 1.667 -10.252 1.00 0.00 H new ATOM 264 N ASN A 108 -9.271 3.493 -5.829 1.00 0.00 N ATOM 265 CA ASN A 108 -10.311 3.422 -4.814 1.00 0.00 C ATOM 266 C ASN A 108 -9.723 3.539 -3.411 1.00 0.00 C ATOM 267 O ASN A 108 -10.242 2.950 -2.463 1.00 0.00 O ATOM 268 CB ASN A 108 -11.096 2.114 -4.942 1.00 0.00 C ATOM 269 CG ASN A 108 -11.751 1.963 -6.301 1.00 0.00 C ATOM 270 OD1 ASN A 108 -12.580 2.782 -6.696 1.00 0.00 O ATOM 271 ND2 ASN A 108 -11.381 0.912 -7.023 1.00 0.00 N ATOM 0 H ASN A 108 -9.397 4.247 -6.505 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.988 4.262 -4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.425 1.272 -4.770 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -11.861 2.075 -4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -11.788 0.758 -7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -10.690 0.258 -6.655 1.00 0.00 H new ATOM 278 N GLY A 109 -8.646 4.308 -3.281 1.00 0.00 N ATOM 279 CA GLY A 109 -8.023 4.488 -1.984 1.00 0.00 C ATOM 280 C GLY A 109 -6.855 5.454 -2.023 1.00 0.00 C ATOM 281 O GLY A 109 -6.668 6.175 -3.003 1.00 0.00 O ATOM 0 H GLY A 109 -8.196 4.807 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.767 4.853 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.678 3.522 -1.614 1.00 0.00 H new ATOM 285 N LYS A 110 -6.072 5.465 -0.949 1.00 0.00 N ATOM 286 CA LYS A 110 -4.914 6.346 -0.851 1.00 0.00 C ATOM 287 C LYS A 110 -3.755 5.641 -0.154 1.00 0.00 C ATOM 288 O LYS A 110 -3.963 4.836 0.754 1.00 0.00 O ATOM 289 CB LYS A 110 -5.280 7.625 -0.096 1.00 0.00 C ATOM 290 CG LYS A 110 -6.407 8.413 -0.746 1.00 0.00 C ATOM 291 CD LYS A 110 -6.720 9.683 0.027 1.00 0.00 C ATOM 292 CE LYS A 110 -7.886 10.438 -0.593 1.00 0.00 C ATOM 293 NZ LYS A 110 -8.195 11.691 0.149 1.00 0.00 N ATOM 0 H LYS A 110 -6.219 4.872 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.601 6.609 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.569 7.366 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.397 8.260 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.130 8.668 -1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.301 7.791 -0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.956 9.432 1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.839 10.325 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.652 10.679 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.768 9.797 -0.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.995 12.175 -0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.443 11.460 1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.363 12.314 0.140 1.00 0.00 H new ATOM 307 N VAL A 111 -2.537 5.946 -0.586 1.00 0.00 N ATOM 308 CA VAL A 111 -1.346 5.340 -0.004 1.00 0.00 C ATOM 309 C VAL A 111 -0.599 6.338 0.878 1.00 0.00 C ATOM 310 O VAL A 111 -0.420 7.498 0.507 1.00 0.00 O ATOM 311 CB VAL A 111 -0.401 4.810 -1.101 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.911 4.332 -0.506 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.075 3.696 -1.889 1.00 0.00 C ATOM 0 H VAL A 111 -2.348 6.609 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.675 4.503 0.611 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.178 5.630 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.558 3.963 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.401 5.160 0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.717 3.529 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.395 3.333 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.331 2.878 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.982 4.079 -2.357 1.00 0.00 H new ATOM 323 N PHE A 112 -0.177 5.879 2.054 1.00 0.00 N ATOM 324 CA PHE A 112 0.540 6.728 3.002 1.00 0.00 C ATOM 325 C PHE A 112 2.004 6.314 3.119 1.00 0.00 C ATOM 326 O PHE A 112 2.311 5.185 3.494 1.00 0.00 O ATOM 327 CB PHE A 112 -0.135 6.659 4.378 1.00 0.00 C ATOM 328 CG PHE A 112 -1.460 7.369 4.445 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.441 7.140 3.491 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.727 8.265 5.469 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.657 7.791 3.555 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.943 8.918 5.539 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.909 8.681 4.580 1.00 0.00 C ATOM 0 H PHE A 112 -0.320 4.921 2.374 1.00 0.00 H new ATOM 0 HA PHE A 112 0.507 7.753 2.632 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.281 5.613 4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.535 7.090 5.122 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.251 6.443 2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.976 8.455 6.221 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.410 7.604 2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.138 9.613 6.342 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.860 9.191 4.632 1.00 0.00 H new ATOM 343 N LEU A 113 2.906 7.242 2.806 1.00 0.00 N ATOM 344 CA LEU A 113 4.337 6.981 2.879 1.00 0.00 C ATOM 345 C LEU A 113 4.933 7.624 4.123 1.00 0.00 C ATOM 346 O LEU A 113 4.480 8.681 4.561 1.00 0.00 O ATOM 347 CB LEU A 113 5.052 7.508 1.629 1.00 0.00 C ATOM 348 CG LEU A 113 4.711 6.791 0.316 1.00 0.00 C ATOM 349 CD1 LEU A 113 4.999 5.302 0.430 1.00 0.00 C ATOM 350 CD2 LEU A 113 3.259 7.032 -0.072 1.00 0.00 C ATOM 0 H LEU A 113 2.667 8.185 2.498 1.00 0.00 H new ATOM 0 HA LEU A 113 4.479 5.902 2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.815 8.566 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.128 7.438 1.791 1.00 0.00 H new ATOM 0 HG LEU A 113 5.343 7.203 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.751 4.810 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.056 5.152 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.397 4.875 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 113 3.041 6.514 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.605 6.654 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.090 8.101 -0.202 1.00 0.00 H new ATOM 362 N THR A 114 5.949 6.985 4.688 1.00 0.00 N ATOM 363 CA THR A 114 6.596 7.510 5.880 1.00 0.00 C ATOM 364 C THR A 114 8.019 6.975 6.024 1.00 0.00 C ATOM 365 O THR A 114 8.259 5.773 5.893 1.00 0.00 O ATOM 366 CB THR A 114 5.796 7.162 7.151 1.00 0.00 C ATOM 367 OG1 THR A 114 4.485 7.733 7.078 1.00 0.00 O ATOM 368 CG2 THR A 114 6.506 7.672 8.397 1.00 0.00 C ATOM 0 H THR A 114 6.340 6.109 4.342 1.00 0.00 H new ATOM 0 HA THR A 114 6.633 8.593 5.765 1.00 0.00 H new ATOM 0 HB THR A 114 5.717 6.077 7.215 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.466 8.419 6.379 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.922 7.414 9.280 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.492 7.213 8.468 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.614 8.755 8.337 1.00 0.00 H new ATOM 376 N GLY A 115 8.955 7.879 6.303 1.00 0.00 N ATOM 377 CA GLY A 115 10.344 7.488 6.471 1.00 0.00 C ATOM 378 C GLY A 115 10.959 6.920 5.207 1.00 0.00 C ATOM 379 O GLY A 115 11.568 5.851 5.236 1.00 0.00 O ATOM 0 H GLY A 115 8.775 8.877 6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.923 8.354 6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.413 6.746 7.267 1.00 0.00 H new ATOM 383 N GLY A 116 10.802 7.633 4.094 1.00 0.00 N ATOM 384 CA GLY A 116 11.360 7.169 2.836 1.00 0.00 C ATOM 385 C GLY A 116 11.041 8.087 1.672 1.00 0.00 C ATOM 386 O GLY A 116 9.907 8.546 1.527 1.00 0.00 O ATOM 0 H GLY A 116 10.301 8.520 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.442 7.080 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.977 6.172 2.621 1.00 0.00 H new ATOM 390 N ASP A 117 12.044 8.346 0.836 1.00 0.00 N ATOM 391 CA ASP A 117 11.876 9.207 -0.330 1.00 0.00 C ATOM 392 C ASP A 117 13.155 9.214 -1.159 1.00 0.00 C ATOM 393 O ASP A 117 14.232 9.518 -0.645 1.00 0.00 O ATOM 394 CB ASP A 117 11.525 10.633 0.103 1.00 0.00 C ATOM 395 CG ASP A 117 11.244 11.549 -1.074 1.00 0.00 C ATOM 396 OD1 ASP A 117 11.287 11.070 -2.227 1.00 0.00 O ATOM 397 OD2 ASP A 117 10.977 12.747 -0.840 1.00 0.00 O ATOM 0 H ASP A 117 12.985 7.969 0.946 1.00 0.00 H new ATOM 0 HA ASP A 117 11.059 8.817 -0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.651 10.606 0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 117 12.347 11.043 0.689 1.00 0.00 H new ATOM 402 N LEU A 118 13.032 8.871 -2.438 1.00 0.00 N ATOM 403 CA LEU A 118 14.183 8.829 -3.334 1.00 0.00 C ATOM 404 C LEU A 118 14.970 10.134 -3.270 1.00 0.00 C ATOM 405 O LEU A 118 14.390 11.220 -3.241 1.00 0.00 O ATOM 406 CB LEU A 118 13.728 8.536 -4.770 1.00 0.00 C ATOM 407 CG LEU A 118 14.837 8.452 -5.829 1.00 0.00 C ATOM 408 CD1 LEU A 118 14.330 7.720 -7.064 1.00 0.00 C ATOM 409 CD2 LEU A 118 15.332 9.838 -6.217 1.00 0.00 C ATOM 0 H LEU A 118 12.147 8.618 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 118 14.843 8.025 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.182 7.593 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 118 13.024 9.312 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 118 15.671 7.898 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 118 15.125 7.667 -7.808 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.023 6.711 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.478 8.257 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 118 16.117 9.747 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 118 14.505 10.419 -6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.730 10.342 -5.336 1.00 0.00 H new ATOM 421 N PRO A 119 16.312 10.042 -3.241 1.00 0.00 N ATOM 422 CA PRO A 119 17.036 8.772 -3.273 1.00 0.00 C ATOM 423 C PRO A 119 17.281 8.187 -1.879 1.00 0.00 C ATOM 424 O PRO A 119 18.429 7.997 -1.473 1.00 0.00 O ATOM 425 CB PRO A 119 18.355 9.173 -3.923 1.00 0.00 C ATOM 426 CG PRO A 119 18.596 10.569 -3.445 1.00 0.00 C ATOM 427 CD PRO A 119 17.240 11.186 -3.181 1.00 0.00 C ATOM 0 HA PRO A 119 16.485 7.992 -3.799 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.164 8.506 -3.625 1.00 0.00 H new ATOM 0 HB3 PRO A 119 18.291 9.131 -5.010 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.202 10.567 -2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.142 11.144 -4.193 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.207 11.677 -2.208 1.00 0.00 H new ATOM 0 HD3 PRO A 119 16.992 11.941 -3.927 1.00 0.00 H new ATOM 435 N ALA A 120 16.205 7.906 -1.148 1.00 0.00 N ATOM 436 CA ALA A 120 16.316 7.351 0.194 1.00 0.00 C ATOM 437 C ALA A 120 15.054 6.584 0.569 1.00 0.00 C ATOM 438 O ALA A 120 14.007 6.756 -0.056 1.00 0.00 O ATOM 439 CB ALA A 120 16.582 8.458 1.203 1.00 0.00 C ATOM 0 H ALA A 120 15.247 8.054 -1.465 1.00 0.00 H new ATOM 0 HA ALA A 120 17.155 6.655 0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 120 16.663 8.028 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.513 8.965 0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.761 9.175 1.182 1.00 0.00 H new ATOM 445 N LEU A 121 15.156 5.735 1.586 1.00 0.00 N ATOM 446 CA LEU A 121 14.016 4.945 2.031 1.00 0.00 C ATOM 447 C LEU A 121 14.287 4.266 3.373 1.00 0.00 C ATOM 448 O LEU A 121 13.380 4.131 4.194 1.00 0.00 O ATOM 449 CB LEU A 121 13.616 3.921 0.958 1.00 0.00 C ATOM 450 CG LEU A 121 14.767 3.134 0.320 1.00 0.00 C ATOM 451 CD1 LEU A 121 15.376 2.172 1.322 1.00 0.00 C ATOM 452 CD2 LEU A 121 14.274 2.378 -0.905 1.00 0.00 C ATOM 0 H LEU A 121 16.013 5.577 2.115 1.00 0.00 H new ATOM 0 HA LEU A 121 13.178 5.626 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 121 12.919 3.211 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 121 13.077 4.444 0.168 1.00 0.00 H new ATOM 0 HG LEU A 121 15.537 3.841 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 121 16.191 1.623 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.761 2.731 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 121 14.614 1.470 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 121 15.101 1.824 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.488 1.683 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.879 3.085 -1.635 1.00 0.00 H new ATOM 464 N ASP A 122 15.536 3.853 3.592 1.00 0.00 N ATOM 465 CA ASP A 122 15.925 3.194 4.839 1.00 0.00 C ATOM 466 C ASP A 122 14.803 2.292 5.354 1.00 0.00 C ATOM 467 O ASP A 122 14.394 2.389 6.511 1.00 0.00 O ATOM 468 CB ASP A 122 16.285 4.242 5.896 1.00 0.00 C ATOM 469 CG ASP A 122 16.844 3.629 7.167 1.00 0.00 C ATOM 470 OD1 ASP A 122 16.986 2.389 7.218 1.00 0.00 O ATOM 471 OD2 ASP A 122 17.142 4.391 8.111 1.00 0.00 O ATOM 0 H ASP A 122 16.296 3.963 2.921 1.00 0.00 H new ATOM 0 HA ASP A 122 16.798 2.572 4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 122 17.017 4.934 5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.397 4.825 6.140 1.00 0.00 H new ATOM 476 N GLY A 123 14.298 1.426 4.479 1.00 0.00 N ATOM 477 CA GLY A 123 13.218 0.536 4.861 1.00 0.00 C ATOM 478 C GLY A 123 11.922 1.289 5.094 1.00 0.00 C ATOM 479 O GLY A 123 11.253 1.093 6.109 1.00 0.00 O ATOM 0 H GLY A 123 14.617 1.326 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.069 -0.210 4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.494 -0.002 5.768 1.00 0.00 H new ATOM 483 N ALA A 124 11.580 2.162 4.151 1.00 0.00 N ATOM 484 CA ALA A 124 10.368 2.966 4.245 1.00 0.00 C ATOM 485 C ALA A 124 9.131 2.099 4.447 1.00 0.00 C ATOM 486 O ALA A 124 8.988 1.045 3.828 1.00 0.00 O ATOM 487 CB ALA A 124 10.210 3.824 2.998 1.00 0.00 C ATOM 0 H ALA A 124 12.130 2.330 3.308 1.00 0.00 H new ATOM 0 HA ALA A 124 10.465 3.612 5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.301 4.420 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.071 4.486 2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.145 3.181 2.120 1.00 0.00 H new ATOM 493 N ARG A 125 8.235 2.561 5.314 1.00 0.00 N ATOM 494 CA ARG A 125 6.999 1.841 5.601 1.00 0.00 C ATOM 495 C ARG A 125 5.811 2.556 4.973 1.00 0.00 C ATOM 496 O ARG A 125 5.837 3.773 4.791 1.00 0.00 O ATOM 497 CB ARG A 125 6.790 1.716 7.111 1.00 0.00 C ATOM 498 CG ARG A 125 7.864 0.900 7.813 1.00 0.00 C ATOM 499 CD ARG A 125 7.600 0.817 9.308 1.00 0.00 C ATOM 500 NE ARG A 125 6.285 0.252 9.597 1.00 0.00 N ATOM 501 CZ ARG A 125 5.790 0.124 10.824 1.00 0.00 C ATOM 502 NH1 ARG A 125 6.498 0.519 11.873 1.00 0.00 N ATOM 503 NH2 ARG A 125 4.584 -0.398 11.002 1.00 0.00 N ATOM 0 H ARG A 125 8.343 3.433 5.831 1.00 0.00 H new ATOM 0 HA ARG A 125 7.078 0.842 5.173 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.761 2.714 7.548 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.819 1.258 7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 125 7.896 -0.104 7.390 1.00 0.00 H new ATOM 0 HG3 ARG A 125 8.841 1.351 7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 125 8.370 0.206 9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 125 7.672 1.813 9.745 1.00 0.00 H new ATOM 0 HE ARG A 125 5.714 -0.062 8.813 1.00 0.00 H new ATOM 0 HH11 ARG A 125 7.425 0.922 11.740 1.00 0.00 H new ATOM 0 HH12 ARG A 125 6.115 0.419 12.813 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.036 -0.702 10.197 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.205 -0.496 11.944 1.00 0.00 H new ATOM 517 N VAL A 126 4.772 1.799 4.633 1.00 0.00 N ATOM 518 CA VAL A 126 3.590 2.386 4.017 1.00 0.00 C ATOM 519 C VAL A 126 2.302 1.710 4.479 1.00 0.00 C ATOM 520 O VAL A 126 2.196 0.479 4.510 1.00 0.00 O ATOM 521 CB VAL A 126 3.671 2.325 2.480 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.924 0.907 2.007 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.402 2.873 1.857 1.00 0.00 C ATOM 0 H VAL A 126 4.725 0.790 4.772 1.00 0.00 H new ATOM 0 HA VAL A 126 3.566 3.428 4.337 1.00 0.00 H new ATOM 0 HB VAL A 126 4.509 2.945 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.977 0.891 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.866 0.548 2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 126 3.111 0.262 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 126 2.478 2.822 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 126 1.549 2.282 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.265 3.910 2.162 1.00 0.00 H new ATOM 533 N GLU A 127 1.325 2.547 4.829 1.00 0.00 N ATOM 534 CA GLU A 127 0.021 2.086 5.286 1.00 0.00 C ATOM 535 C GLU A 127 -1.029 2.277 4.192 1.00 0.00 C ATOM 536 O GLU A 127 -1.124 3.350 3.595 1.00 0.00 O ATOM 537 CB GLU A 127 -0.393 2.851 6.546 1.00 0.00 C ATOM 538 CG GLU A 127 0.428 2.498 7.777 1.00 0.00 C ATOM 539 CD GLU A 127 1.896 2.845 7.623 1.00 0.00 C ATOM 540 OE1 GLU A 127 2.207 4.040 7.436 1.00 0.00 O ATOM 541 OE2 GLU A 127 2.734 1.922 7.690 1.00 0.00 O ATOM 0 H GLU A 127 1.419 3.562 4.802 1.00 0.00 H new ATOM 0 HA GLU A 127 0.091 1.024 5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.304 3.921 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.444 2.650 6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.023 3.025 8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.331 1.431 7.980 1.00 0.00 H new ATOM 548 N PHE A 128 -1.809 1.235 3.931 1.00 0.00 N ATOM 549 CA PHE A 128 -2.845 1.295 2.904 1.00 0.00 C ATOM 550 C PHE A 128 -4.234 1.465 3.512 1.00 0.00 C ATOM 551 O PHE A 128 -4.538 0.905 4.565 1.00 0.00 O ATOM 552 CB PHE A 128 -2.810 0.038 2.030 1.00 0.00 C ATOM 553 CG PHE A 128 -1.636 -0.020 1.093 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.341 0.132 1.564 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.830 -0.221 -0.263 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.736 0.081 0.700 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.758 -0.273 -1.132 1.00 0.00 C ATOM 558 CZ PHE A 128 0.527 -0.122 -0.650 1.00 0.00 C ATOM 0 H PHE A 128 -1.745 0.339 4.415 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.638 2.168 2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.791 -0.841 2.675 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.730 -0.013 1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.172 0.292 2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.833 -0.339 -0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.740 0.200 1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.925 -0.432 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.367 -0.163 -1.327 1.00 0.00 H new ATOM 568 N ARG A 129 -5.074 2.237 2.828 1.00 0.00 N ATOM 569 CA ARG A 129 -6.440 2.484 3.277 1.00 0.00 C ATOM 570 C ARG A 129 -7.286 3.031 2.130 1.00 0.00 C ATOM 571 O ARG A 129 -6.926 4.026 1.498 1.00 0.00 O ATOM 572 CB ARG A 129 -6.448 3.460 4.457 1.00 0.00 C ATOM 573 CG ARG A 129 -5.860 4.819 4.136 1.00 0.00 C ATOM 574 CD ARG A 129 -5.865 5.730 5.352 1.00 0.00 C ATOM 575 NE ARG A 129 -5.016 5.215 6.424 1.00 0.00 N ATOM 576 CZ ARG A 129 -4.880 5.808 7.606 1.00 0.00 C ATOM 577 NH1 ARG A 129 -5.547 6.923 7.874 1.00 0.00 N ATOM 578 NH2 ARG A 129 -4.076 5.285 8.522 1.00 0.00 N ATOM 0 H ARG A 129 -4.830 2.705 1.955 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.871 1.539 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -7.474 3.591 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.890 3.020 5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.839 4.698 3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.430 5.282 3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -5.521 6.723 5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.886 5.840 5.719 1.00 0.00 H new ATOM 0 HE ARG A 129 -4.499 4.352 6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -6.167 7.328 7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -5.440 7.375 8.782 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -3.562 4.428 8.320 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -3.972 5.740 9.429 1.00 0.00 H new ATOM 592 N CYS A 130 -8.402 2.365 1.855 1.00 0.00 N ATOM 593 CA CYS A 130 -9.293 2.772 0.772 1.00 0.00 C ATOM 594 C CYS A 130 -10.347 3.771 1.237 1.00 0.00 C ATOM 595 O CYS A 130 -10.506 4.021 2.433 1.00 0.00 O ATOM 596 CB CYS A 130 -9.966 1.547 0.150 1.00 0.00 C ATOM 597 SG CYS A 130 -8.855 0.537 -0.883 1.00 0.00 S ATOM 0 H CYS A 130 -8.713 1.539 2.367 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.681 3.270 0.020 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.371 0.924 0.947 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.809 1.877 -0.456 1.00 0.00 H new ATOM 602 N ASP A 131 -11.060 4.340 0.268 1.00 0.00 N ATOM 603 CA ASP A 131 -12.109 5.320 0.534 1.00 0.00 C ATOM 604 C ASP A 131 -13.123 4.798 1.552 1.00 0.00 C ATOM 605 O ASP A 131 -13.266 3.590 1.727 1.00 0.00 O ATOM 606 CB ASP A 131 -12.824 5.680 -0.770 1.00 0.00 C ATOM 607 CG ASP A 131 -11.921 6.410 -1.744 1.00 0.00 C ATOM 608 OD1 ASP A 131 -10.880 5.840 -2.130 1.00 0.00 O ATOM 609 OD2 ASP A 131 -12.254 7.554 -2.120 1.00 0.00 O ATOM 0 H ASP A 131 -10.927 4.135 -0.722 1.00 0.00 H new ATOM 0 HA ASP A 131 -11.638 6.208 0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.198 4.770 -1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.690 6.303 -0.546 1.00 0.00 H new ATOM 614 N PRO A 132 -13.840 5.715 2.237 1.00 0.00 N ATOM 615 CA PRO A 132 -14.851 5.354 3.243 1.00 0.00 C ATOM 616 C PRO A 132 -16.049 4.629 2.631 1.00 0.00 C ATOM 617 O PRO A 132 -17.153 5.170 2.569 1.00 0.00 O ATOM 618 CB PRO A 132 -15.281 6.704 3.825 1.00 0.00 C ATOM 619 CG PRO A 132 -14.956 7.697 2.764 1.00 0.00 C ATOM 620 CD PRO A 132 -13.723 7.178 2.081 1.00 0.00 C ATOM 0 HA PRO A 132 -14.452 4.665 3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.345 6.712 4.061 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -14.747 6.924 4.750 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.780 7.799 2.058 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.780 8.684 3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -13.692 7.470 1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.814 7.561 2.545 1.00 0.00 H new ATOM 628 N ASP A 133 -15.814 3.402 2.180 1.00 0.00 N ATOM 629 CA ASP A 133 -16.849 2.581 1.568 1.00 0.00 C ATOM 630 C ASP A 133 -16.312 1.178 1.310 1.00 0.00 C ATOM 631 O ASP A 133 -17.049 0.195 1.381 1.00 0.00 O ATOM 632 CB ASP A 133 -17.355 3.218 0.270 1.00 0.00 C ATOM 633 CG ASP A 133 -16.235 3.602 -0.679 1.00 0.00 C ATOM 634 OD1 ASP A 133 -15.056 3.404 -0.323 1.00 0.00 O ATOM 635 OD2 ASP A 133 -16.541 4.106 -1.781 1.00 0.00 O ATOM 0 H ASP A 133 -14.901 2.950 2.229 1.00 0.00 H new ATOM 0 HA ASP A 133 -17.693 2.513 2.255 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.026 2.521 -0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.939 4.106 0.511 1.00 0.00 H new ATOM 640 N PHE A 134 -15.014 1.097 1.037 1.00 0.00 N ATOM 641 CA PHE A 134 -14.354 -0.181 0.797 1.00 0.00 C ATOM 642 C PHE A 134 -13.459 -0.531 1.980 1.00 0.00 C ATOM 643 O PHE A 134 -12.691 0.308 2.452 1.00 0.00 O ATOM 644 CB PHE A 134 -13.513 -0.136 -0.484 1.00 0.00 C ATOM 645 CG PHE A 134 -14.314 -0.114 -1.756 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.299 0.838 -1.964 1.00 0.00 C ATOM 647 CD2 PHE A 134 -14.074 -1.052 -2.749 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.029 0.854 -3.137 1.00 0.00 C ATOM 649 CE2 PHE A 134 -14.802 -1.040 -3.924 1.00 0.00 C ATOM 650 CZ PHE A 134 -15.780 -0.085 -4.119 1.00 0.00 C ATOM 0 H PHE A 134 -14.396 1.906 0.976 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.124 -0.943 0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -12.877 0.749 -0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -12.853 -1.003 -0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.498 1.576 -1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -13.309 -1.801 -2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -16.795 1.601 -3.286 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -14.606 -1.777 -4.689 1.00 0.00 H new ATOM 0 HZ PHE A 134 -16.349 -0.072 -5.037 1.00 0.00 H new ATOM 660 N HIS A 135 -13.554 -1.768 2.455 1.00 0.00 N ATOM 661 CA HIS A 135 -12.738 -2.204 3.580 1.00 0.00 C ATOM 662 C HIS A 135 -11.567 -3.052 3.100 1.00 0.00 C ATOM 663 O HIS A 135 -11.748 -4.033 2.377 1.00 0.00 O ATOM 664 CB HIS A 135 -13.583 -2.979 4.597 1.00 0.00 C ATOM 665 CG HIS A 135 -14.316 -4.150 4.019 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.267 -4.030 3.028 1.00 0.00 N ATOM 667 CD2 HIS A 135 -14.240 -5.471 4.307 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.746 -5.226 2.733 1.00 0.00 C ATOM 669 NE2 HIS A 135 -15.138 -6.116 3.494 1.00 0.00 N ATOM 0 H HIS A 135 -14.182 -2.480 2.082 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.339 -1.317 4.073 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.934 -3.330 5.399 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -14.306 -2.298 5.047 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.593 -5.931 5.040 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.505 -5.439 1.995 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -15.308 -7.122 3.480 1.00 0.00 H new ATOM 678 N LEU A 136 -10.365 -2.651 3.499 1.00 0.00 N ATOM 679 CA LEU A 136 -9.150 -3.354 3.109 1.00 0.00 C ATOM 680 C LEU A 136 -9.028 -4.685 3.843 1.00 0.00 C ATOM 681 O LEU A 136 -9.117 -4.740 5.070 1.00 0.00 O ATOM 682 CB LEU A 136 -7.932 -2.473 3.386 1.00 0.00 C ATOM 683 CG LEU A 136 -6.592 -3.036 2.914 1.00 0.00 C ATOM 684 CD1 LEU A 136 -6.682 -3.492 1.467 1.00 0.00 C ATOM 685 CD2 LEU A 136 -5.497 -1.995 3.080 1.00 0.00 C ATOM 0 H LEU A 136 -10.207 -1.839 4.095 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.199 -3.568 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -8.089 -1.506 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.873 -2.292 4.459 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.344 -3.902 3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.718 -3.889 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.442 -4.268 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -6.951 -2.646 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -4.547 -2.408 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.741 -1.113 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -5.416 -1.716 4.131 1.00 0.00 H new ATOM 697 N VAL A 137 -8.839 -5.760 3.081 1.00 0.00 N ATOM 698 CA VAL A 137 -8.722 -7.097 3.654 1.00 0.00 C ATOM 699 C VAL A 137 -7.570 -7.880 3.024 1.00 0.00 C ATOM 700 O VAL A 137 -7.786 -8.931 2.417 1.00 0.00 O ATOM 701 CB VAL A 137 -10.028 -7.892 3.463 1.00 0.00 C ATOM 702 CG1 VAL A 137 -9.975 -9.213 4.220 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.229 -7.068 3.903 1.00 0.00 C ATOM 0 H VAL A 137 -8.764 -5.730 2.064 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.522 -6.969 4.718 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.137 -8.114 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.908 -9.756 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.143 -9.812 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.836 -9.018 5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.141 -7.648 3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -11.126 -6.809 4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.282 -6.156 3.308 1.00 0.00 H new ATOM 713 N GLY A 138 -6.347 -7.375 3.155 1.00 0.00 N ATOM 714 CA GLY A 138 -5.214 -8.070 2.574 1.00 0.00 C ATOM 715 C GLY A 138 -3.877 -7.499 2.996 1.00 0.00 C ATOM 716 O GLY A 138 -3.629 -7.288 4.183 1.00 0.00 O ATOM 0 H GLY A 138 -6.122 -6.510 3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.258 -9.121 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.291 -8.030 1.487 1.00 0.00 H new ATOM 720 N SER A 139 -3.012 -7.264 2.012 1.00 0.00 N ATOM 721 CA SER A 139 -1.684 -6.726 2.250 1.00 0.00 C ATOM 722 C SER A 139 -1.739 -5.242 2.609 1.00 0.00 C ATOM 723 O SER A 139 -1.098 -4.412 1.965 1.00 0.00 O ATOM 724 CB SER A 139 -0.826 -6.933 1.006 1.00 0.00 C ATOM 725 OG SER A 139 -1.442 -6.366 -0.135 1.00 0.00 O ATOM 0 H SER A 139 -3.216 -7.443 1.029 1.00 0.00 H new ATOM 0 HA SER A 139 -1.244 -7.254 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.154 -6.481 1.157 1.00 0.00 H new ATOM 0 HB3 SER A 139 -0.664 -7.999 0.845 1.00 0.00 H new ATOM 0 HG SER A 139 -0.833 -5.718 -0.547 1.00 0.00 H new ATOM 731 N SER A 140 -2.512 -4.918 3.639 1.00 0.00 N ATOM 732 CA SER A 140 -2.662 -3.542 4.089 1.00 0.00 C ATOM 733 C SER A 140 -1.312 -2.934 4.460 1.00 0.00 C ATOM 734 O SER A 140 -1.031 -1.780 4.135 1.00 0.00 O ATOM 735 CB SER A 140 -3.609 -3.489 5.289 1.00 0.00 C ATOM 736 OG SER A 140 -3.796 -2.157 5.735 1.00 0.00 O ATOM 0 H SER A 140 -3.048 -5.596 4.181 1.00 0.00 H new ATOM 0 HA SER A 140 -3.082 -2.958 3.270 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.571 -3.922 5.016 1.00 0.00 H new ATOM 0 HB3 SER A 140 -3.206 -4.094 6.101 1.00 0.00 H new ATOM 0 HG SER A 140 -4.407 -2.151 6.502 1.00 0.00 H new ATOM 742 N ARG A 141 -0.483 -3.714 5.144 1.00 0.00 N ATOM 743 CA ARG A 141 0.835 -3.251 5.564 1.00 0.00 C ATOM 744 C ARG A 141 1.922 -3.755 4.616 1.00 0.00 C ATOM 745 O ARG A 141 1.963 -4.936 4.280 1.00 0.00 O ATOM 746 CB ARG A 141 1.125 -3.723 6.991 1.00 0.00 C ATOM 747 CG ARG A 141 2.474 -3.274 7.525 1.00 0.00 C ATOM 748 CD ARG A 141 2.686 -3.739 8.957 1.00 0.00 C ATOM 749 NE ARG A 141 1.671 -3.202 9.859 1.00 0.00 N ATOM 750 CZ ARG A 141 1.613 -3.484 11.158 1.00 0.00 C ATOM 751 NH1 ARG A 141 2.504 -4.302 11.703 1.00 0.00 N ATOM 752 NH2 ARG A 141 0.663 -2.949 11.912 1.00 0.00 N ATOM 0 H ARG A 141 -0.700 -4.672 5.420 1.00 0.00 H new ATOM 0 HA ARG A 141 0.838 -2.161 5.537 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.342 -3.352 7.652 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.078 -4.812 7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 141 3.268 -3.669 6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 141 2.541 -2.187 7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 141 2.664 -4.828 8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 141 3.674 -3.429 9.297 1.00 0.00 H new ATOM 0 HE ARG A 141 0.966 -2.575 9.471 1.00 0.00 H new ATOM 0 HH11 ARG A 141 3.236 -4.716 11.126 1.00 0.00 H new ATOM 0 HH12 ARG A 141 2.457 -4.516 12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.024 -2.320 11.496 1.00 0.00 H new ATOM 0 HH22 ARG A 141 0.619 -3.166 12.908 1.00 0.00 H new ATOM 766 N SER A 142 2.800 -2.849 4.195 1.00 0.00 N ATOM 767 CA SER A 142 3.892 -3.198 3.285 1.00 0.00 C ATOM 768 C SER A 142 5.098 -2.297 3.535 1.00 0.00 C ATOM 769 O SER A 142 4.944 -1.123 3.872 1.00 0.00 O ATOM 770 CB SER A 142 3.432 -3.078 1.831 1.00 0.00 C ATOM 771 OG SER A 142 2.952 -1.777 1.551 1.00 0.00 O ATOM 0 H SER A 142 2.778 -1.867 4.468 1.00 0.00 H new ATOM 0 HA SER A 142 4.184 -4.231 3.473 1.00 0.00 H new ATOM 0 HB2 SER A 142 4.261 -3.314 1.164 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.647 -3.808 1.634 1.00 0.00 H new ATOM 0 HG SER A 142 1.996 -1.819 1.340 1.00 0.00 H new ATOM 777 N VAL A 143 6.298 -2.851 3.385 1.00 0.00 N ATOM 778 CA VAL A 143 7.519 -2.084 3.614 1.00 0.00 C ATOM 779 C VAL A 143 8.582 -2.386 2.559 1.00 0.00 C ATOM 780 O VAL A 143 8.836 -3.545 2.228 1.00 0.00 O ATOM 781 CB VAL A 143 8.100 -2.365 5.014 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.346 -3.853 5.205 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.380 -1.573 5.238 1.00 0.00 C ATOM 0 H VAL A 143 6.451 -3.821 3.108 1.00 0.00 H new ATOM 0 HA VAL A 143 7.244 -1.032 3.543 1.00 0.00 H new ATOM 0 HB VAL A 143 7.369 -2.043 5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.756 -4.029 6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.406 -4.394 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.053 -4.204 4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.771 -1.788 6.232 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.119 -1.856 4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.168 -0.507 5.154 1.00 0.00 H new ATOM 793 N CYS A 144 9.201 -1.328 2.043 1.00 0.00 N ATOM 794 CA CYS A 144 10.242 -1.456 1.029 1.00 0.00 C ATOM 795 C CYS A 144 11.490 -2.120 1.606 1.00 0.00 C ATOM 796 O CYS A 144 11.940 -1.768 2.696 1.00 0.00 O ATOM 797 CB CYS A 144 10.596 -0.079 0.467 1.00 0.00 C ATOM 798 SG CYS A 144 11.991 -0.080 -0.704 1.00 0.00 S ATOM 0 H CYS A 144 8.997 -0.366 2.313 1.00 0.00 H new ATOM 0 HA CYS A 144 9.860 -2.086 0.226 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.719 0.333 -0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.834 0.588 1.296 1.00 0.00 H new ATOM 803 N SER A 145 12.047 -3.074 0.863 1.00 0.00 N ATOM 804 CA SER A 145 13.248 -3.785 1.297 1.00 0.00 C ATOM 805 C SER A 145 13.877 -4.557 0.140 1.00 0.00 C ATOM 806 O SER A 145 13.197 -5.307 -0.561 1.00 0.00 O ATOM 807 CB SER A 145 12.914 -4.754 2.435 1.00 0.00 C ATOM 808 OG SER A 145 12.417 -4.068 3.571 1.00 0.00 O ATOM 0 H SER A 145 11.686 -3.373 -0.043 1.00 0.00 H new ATOM 0 HA SER A 145 13.963 -3.043 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.174 -5.478 2.093 1.00 0.00 H new ATOM 0 HB3 SER A 145 13.807 -5.316 2.710 1.00 0.00 H new ATOM 0 HG SER A 145 12.529 -3.103 3.445 1.00 0.00 H new ATOM 814 N GLN A 146 15.181 -4.373 -0.045 1.00 0.00 N ATOM 815 CA GLN A 146 15.916 -5.053 -1.109 1.00 0.00 C ATOM 816 C GLN A 146 15.254 -4.819 -2.467 1.00 0.00 C ATOM 817 O GLN A 146 15.082 -5.749 -3.257 1.00 0.00 O ATOM 818 CB GLN A 146 16.005 -6.554 -0.812 1.00 0.00 C ATOM 819 CG GLN A 146 16.927 -7.312 -1.753 1.00 0.00 C ATOM 820 CD GLN A 146 16.958 -8.800 -1.464 1.00 0.00 C ATOM 821 OE1 GLN A 146 15.932 -9.477 -1.529 1.00 0.00 O ATOM 822 NE2 GLN A 146 18.138 -9.318 -1.143 1.00 0.00 N ATOM 0 H GLN A 146 15.754 -3.756 0.531 1.00 0.00 H new ATOM 0 HA GLN A 146 16.924 -4.639 -1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 146 16.353 -6.692 0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 146 15.006 -6.986 -0.871 1.00 0.00 H new ATOM 0 HG2 GLN A 146 16.603 -7.152 -2.781 1.00 0.00 H new ATOM 0 HG3 GLN A 146 17.936 -6.908 -1.671 1.00 0.00 H new ATOM 0 HE21 GLN A 146 18.963 -8.720 -1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 146 18.219 -10.314 -0.939 1.00 0.00 H new ATOM 831 N GLY A 147 14.884 -3.570 -2.733 1.00 0.00 N ATOM 832 CA GLY A 147 14.249 -3.236 -3.995 1.00 0.00 C ATOM 833 C GLY A 147 12.990 -4.044 -4.246 1.00 0.00 C ATOM 834 O GLY A 147 12.765 -4.526 -5.356 1.00 0.00 O ATOM 0 H GLY A 147 15.013 -2.783 -2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 147 14.003 -2.174 -4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.954 -3.406 -4.809 1.00 0.00 H new ATOM 838 N GLN A 148 12.168 -4.187 -3.212 1.00 0.00 N ATOM 839 CA GLN A 148 10.922 -4.939 -3.318 1.00 0.00 C ATOM 840 C GLN A 148 10.100 -4.800 -2.042 1.00 0.00 C ATOM 841 O GLN A 148 10.644 -4.799 -0.938 1.00 0.00 O ATOM 842 CB GLN A 148 11.207 -6.416 -3.602 1.00 0.00 C ATOM 843 CG GLN A 148 9.951 -7.256 -3.768 1.00 0.00 C ATOM 844 CD GLN A 148 10.256 -8.696 -4.132 1.00 0.00 C ATOM 845 OE1 GLN A 148 10.928 -9.408 -3.388 1.00 0.00 O ATOM 846 NE2 GLN A 148 9.761 -9.131 -5.286 1.00 0.00 N ATOM 0 H GLN A 148 12.342 -3.791 -2.288 1.00 0.00 H new ATOM 0 HA GLN A 148 10.348 -4.528 -4.148 1.00 0.00 H new ATOM 0 HB2 GLN A 148 11.809 -6.494 -4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.803 -6.826 -2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.378 -7.233 -2.841 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.323 -6.815 -4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 148 9.208 -8.505 -5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 148 9.934 -10.091 -5.586 1.00 0.00 H new ATOM 855 N TRP A 149 8.788 -4.675 -2.200 1.00 0.00 N ATOM 856 CA TRP A 149 7.893 -4.524 -1.059 1.00 0.00 C ATOM 857 C TRP A 149 7.530 -5.886 -0.473 1.00 0.00 C ATOM 858 O TRP A 149 7.327 -6.852 -1.208 1.00 0.00 O ATOM 859 CB TRP A 149 6.624 -3.777 -1.473 1.00 0.00 C ATOM 860 CG TRP A 149 6.897 -2.487 -2.186 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.325 -2.335 -3.475 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.779 -1.166 -1.644 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.467 -1.001 -3.770 1.00 0.00 N ATOM 864 CE2 TRP A 149 7.140 -0.264 -2.662 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.398 -0.659 -0.400 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.133 1.115 -2.473 1.00 0.00 C ATOM 867 CZ3 TRP A 149 6.393 0.710 -0.213 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.756 1.584 -1.244 1.00 0.00 C ATOM 0 H TRP A 149 8.320 -4.675 -3.106 1.00 0.00 H new ATOM 0 HA TRP A 149 8.411 -3.945 -0.295 1.00 0.00 H new ATOM 0 HB2 TRP A 149 6.027 -4.421 -2.119 1.00 0.00 H new ATOM 0 HB3 TRP A 149 6.026 -3.573 -0.585 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.523 -3.145 -4.161 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.767 -0.621 -4.668 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.113 -1.325 0.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.415 1.790 -3.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 6.104 1.113 0.746 1.00 0.00 H new ATOM 0 HH2 TRP A 149 6.738 2.649 -1.066 1.00 0.00 H new ATOM 879 N SER A 150 7.458 -5.954 0.856 1.00 0.00 N ATOM 880 CA SER A 150 7.127 -7.200 1.541 1.00 0.00 C ATOM 881 C SER A 150 5.837 -7.799 0.993 1.00 0.00 C ATOM 882 O SER A 150 5.820 -8.942 0.536 1.00 0.00 O ATOM 883 CB SER A 150 6.992 -6.959 3.045 1.00 0.00 C ATOM 884 OG SER A 150 8.212 -6.497 3.600 1.00 0.00 O ATOM 0 H SER A 150 7.624 -5.162 1.477 1.00 0.00 H new ATOM 0 HA SER A 150 7.937 -7.907 1.364 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.205 -6.228 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.691 -7.883 3.539 1.00 0.00 H new ATOM 0 HG SER A 150 8.149 -6.501 4.578 1.00 0.00 H new ATOM 890 N THR A 151 4.758 -7.022 1.032 1.00 0.00 N ATOM 891 CA THR A 151 3.473 -7.490 0.528 1.00 0.00 C ATOM 892 C THR A 151 2.999 -6.634 -0.645 1.00 0.00 C ATOM 893 O THR A 151 3.050 -5.405 -0.585 1.00 0.00 O ATOM 894 CB THR A 151 2.398 -7.475 1.627 1.00 0.00 C ATOM 895 OG1 THR A 151 2.186 -6.136 2.085 1.00 0.00 O ATOM 896 CG2 THR A 151 2.807 -8.358 2.797 1.00 0.00 C ATOM 0 H THR A 151 4.748 -6.073 1.405 1.00 0.00 H new ATOM 0 HA THR A 151 3.620 -8.516 0.191 1.00 0.00 H new ATOM 0 HB THR A 151 1.472 -7.865 1.205 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.307 -6.100 3.057 1.00 0.00 H new ATOM 0 HG21 THR A 151 2.031 -8.331 3.562 1.00 0.00 H new ATOM 0 HG22 THR A 151 2.940 -9.383 2.450 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.744 -7.993 3.218 1.00 0.00 H new ATOM 904 N PRO A 152 2.535 -7.272 -1.734 1.00 0.00 N ATOM 905 CA PRO A 152 2.056 -6.558 -2.923 1.00 0.00 C ATOM 906 C PRO A 152 0.769 -5.784 -2.667 1.00 0.00 C ATOM 907 O PRO A 152 0.466 -5.417 -1.531 1.00 0.00 O ATOM 908 CB PRO A 152 1.813 -7.677 -3.939 1.00 0.00 C ATOM 909 CG PRO A 152 1.582 -8.897 -3.115 1.00 0.00 C ATOM 910 CD PRO A 152 2.441 -8.736 -1.893 1.00 0.00 C ATOM 0 HA PRO A 152 2.773 -5.807 -3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.952 -7.458 -4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.670 -7.803 -4.601 1.00 0.00 H new ATOM 0 HG2 PRO A 152 0.531 -8.992 -2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.852 -9.798 -3.666 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.990 -9.207 -1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.423 -9.190 -2.029 1.00 0.00 H new ATOM 918 N LYS A 153 0.017 -5.542 -3.734 1.00 0.00 N ATOM 919 CA LYS A 153 -1.245 -4.812 -3.639 1.00 0.00 C ATOM 920 C LYS A 153 -2.381 -5.725 -3.176 1.00 0.00 C ATOM 921 O LYS A 153 -2.591 -6.801 -3.737 1.00 0.00 O ATOM 922 CB LYS A 153 -1.593 -4.183 -4.989 1.00 0.00 C ATOM 923 CG LYS A 153 -0.850 -2.888 -5.272 1.00 0.00 C ATOM 924 CD LYS A 153 -1.284 -1.782 -4.324 1.00 0.00 C ATOM 925 CE LYS A 153 -0.603 -0.465 -4.655 1.00 0.00 C ATOM 926 NZ LYS A 153 -0.864 -0.044 -6.058 1.00 0.00 N ATOM 0 H LYS A 153 0.259 -5.841 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 153 -1.122 -4.023 -2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.371 -4.899 -5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.665 -3.991 -5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 153 0.223 -3.053 -5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -1.032 -2.579 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.365 -1.657 -4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -1.048 -2.067 -3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -0.956 0.308 -3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 153 0.471 -0.562 -4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -1.056 0.978 -6.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -0.031 -0.255 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -1.687 -0.560 -6.428 1.00 0.00 H new ATOM 940 N PRO A 154 -3.134 -5.300 -2.145 1.00 0.00 N ATOM 941 CA PRO A 154 -4.257 -6.075 -1.608 1.00 0.00 C ATOM 942 C PRO A 154 -5.530 -5.893 -2.430 1.00 0.00 C ATOM 943 O PRO A 154 -5.469 -5.711 -3.646 1.00 0.00 O ATOM 944 CB PRO A 154 -4.428 -5.484 -0.211 1.00 0.00 C ATOM 945 CG PRO A 154 -4.018 -4.058 -0.357 1.00 0.00 C ATOM 946 CD PRO A 154 -2.952 -4.025 -1.422 1.00 0.00 C ATOM 0 HA PRO A 154 -4.070 -7.149 -1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.459 -5.567 0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.806 -6.003 0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.868 -3.437 -0.640 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.637 -3.666 0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.076 -3.169 -2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.955 -3.951 -0.988 1.00 0.00 H new ATOM 954 N HIS A 155 -6.686 -5.935 -1.764 1.00 0.00 N ATOM 955 CA HIS A 155 -7.963 -5.763 -2.449 1.00 0.00 C ATOM 956 C HIS A 155 -9.030 -5.213 -1.505 1.00 0.00 C ATOM 957 O HIS A 155 -9.280 -5.773 -0.438 1.00 0.00 O ATOM 958 CB HIS A 155 -8.430 -7.091 -3.052 1.00 0.00 C ATOM 959 CG HIS A 155 -8.591 -8.190 -2.048 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.541 -8.695 -1.310 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.689 -8.879 -1.658 1.00 0.00 C ATOM 962 CE1 HIS A 155 -7.987 -9.649 -0.512 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.286 -9.780 -0.703 1.00 0.00 N ATOM 0 H HIS A 155 -6.761 -6.086 -0.758 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.814 -5.040 -3.251 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -9.382 -6.934 -3.559 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.713 -7.407 -3.810 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.695 -8.745 -2.029 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.389 -10.224 0.180 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -9.892 -10.443 -0.220 1.00 0.00 H new ATOM 972 N CYS A 156 -9.660 -4.114 -1.911 1.00 0.00 N ATOM 973 CA CYS A 156 -10.708 -3.488 -1.111 1.00 0.00 C ATOM 974 C CYS A 156 -12.094 -3.884 -1.612 1.00 0.00 C ATOM 975 O CYS A 156 -12.381 -3.798 -2.806 1.00 0.00 O ATOM 976 CB CYS A 156 -10.554 -1.966 -1.134 1.00 0.00 C ATOM 977 SG CYS A 156 -9.120 -1.352 -0.190 1.00 0.00 S ATOM 0 H CYS A 156 -9.462 -3.638 -2.791 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.605 -3.841 -0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -10.463 -1.636 -2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.461 -1.513 -0.733 1.00 0.00 H new ATOM 982 N GLN A 157 -12.949 -4.319 -0.691 1.00 0.00 N ATOM 983 CA GLN A 157 -14.307 -4.729 -1.037 1.00 0.00 C ATOM 984 C GLN A 157 -15.321 -3.659 -0.636 1.00 0.00 C ATOM 985 O GLN A 157 -15.208 -3.053 0.428 1.00 0.00 O ATOM 986 CB GLN A 157 -14.649 -6.057 -0.357 1.00 0.00 C ATOM 987 CG GLN A 157 -16.053 -6.559 -0.660 1.00 0.00 C ATOM 988 CD GLN A 157 -16.262 -6.873 -2.129 1.00 0.00 C ATOM 989 OE1 GLN A 157 -16.163 -5.994 -2.986 1.00 0.00 O ATOM 990 NE2 GLN A 157 -16.550 -8.134 -2.428 1.00 0.00 N ATOM 0 H GLN A 157 -12.726 -4.397 0.301 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.356 -4.859 -2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.928 -6.812 -0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.540 -5.941 0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -16.248 -7.455 -0.071 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -16.778 -5.807 -0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -16.622 -8.830 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -16.699 -8.407 -3.400 1.00 0.00 H new ATOM 999 N VAL A 158 -16.315 -3.440 -1.493 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.351 -2.453 -1.227 1.00 0.00 C ATOM 1001 C VAL A 158 -18.327 -2.977 -0.185 1.00 0.00 C ATOM 1002 O VAL A 158 -18.740 -4.135 -0.237 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.124 -2.081 -2.508 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.810 -3.304 -3.098 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.134 -0.977 -2.225 1.00 0.00 C ATOM 0 H VAL A 158 -16.423 -3.935 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.857 -1.557 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.409 -1.708 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.349 -3.018 -4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -18.062 -4.057 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.511 -3.714 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -19.669 -0.729 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -19.844 -1.318 -1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -18.613 -0.092 -1.859 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.688 -2.127 0.766 1.00 0.00 N ATOM 1016 CA ASN A 159 -19.608 -2.528 1.816 1.00 0.00 C ATOM 1017 C ASN A 159 -21.010 -2.750 1.257 1.00 0.00 C ATOM 1018 O ASN A 159 -21.565 -1.802 0.663 1.00 0.00 O ATOM 1019 CB ASN A 159 -19.647 -1.482 2.934 1.00 0.00 C ATOM 1020 CG ASN A 159 -18.299 -1.272 3.602 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -17.266 -1.945 3.102 1.00 0.00 O flip ATOM 1022 ND2 ASN A 159 -18.184 -0.505 4.558 1.00 0.00 N flip ATOM 1023 OXT ASN A 159 -21.540 -3.868 1.416 1.00 0.00 O ATOM 0 H ASN A 159 -18.360 -1.163 0.831 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.248 -3.469 2.232 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -19.994 -0.534 2.524 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.374 -1.789 3.686 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -19.000 -0.007 4.913 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -17.273 -0.368 4.995 1.00 0.00 H new