USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 454 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= -0.962 K(o=-2.8,f=-5.9!) USER MOD Set 1.2: A 157 GLN :FLIP amide:sc= -1.87 F(o=-3.4,f=-2.8) USER MOD Set 2.1: A 100 SER OG : rot 108:sc= 0.383 USER MOD Set 2.2: A 102 SER OG : rot 180:sc= -0.0814 USER MOD Single : A 101 LYS NZ :NH3+ 156:sc= -2.89! (180deg=-3.15!) USER MOD Single : A 103 TYR OH : rot 130:sc= -0.275 USER MOD Single : A 105 THR OG1 : rot -4:sc= 0.71 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 166:sc= -0.0271 (180deg=-0.24) USER MOD Single : A 114 THR OG1 : rot -14:sc= 0.689 USER MOD Single : A 139 SER OG : rot 151:sc= -0.523 USER MOD Single : A 140 SER OG : rot 180:sc= -0.643 USER MOD Single : A 142 SER OG : rot 109:sc= -1.43 USER MOD Single : A 145 SER OG : rot 22:sc= 0.224 USER MOD Single : A 146 GLN : amide:sc= -3.11! C(o=-3.1!,f=-8.5!) USER MOD Single : A 148 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot -152:sc= -0.312! USER MOD Single : A 153 LYS NZ :NH3+ -140:sc= 0.417 (180deg=0.0155) USER MOD Single : A 155 HIS : no HD1:sc= -0.224 K(o=-0.22,f=-0.75) USER MOD Single : A 159 ASN : amide:sc= -0.359 K(o=-0.36,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 103 N ILE A 98 13.764 1.724 -4.226 1.00 0.00 N ATOM 104 CA ILE A 98 12.400 2.162 -3.908 1.00 0.00 C ATOM 105 C ILE A 98 11.339 1.327 -4.622 1.00 0.00 C ATOM 106 O ILE A 98 11.363 1.162 -5.842 1.00 0.00 O ATOM 107 CB ILE A 98 12.170 3.668 -4.200 1.00 0.00 C ATOM 108 CG1 ILE A 98 12.059 3.947 -5.704 1.00 0.00 C ATOM 109 CG2 ILE A 98 13.293 4.492 -3.587 1.00 0.00 C ATOM 110 CD1 ILE A 98 11.874 5.412 -6.039 1.00 0.00 C ATOM 0 HA ILE A 98 12.293 2.007 -2.834 1.00 0.00 H new ATOM 0 HB ILE A 98 11.222 3.956 -3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.958 3.581 -6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 98 11.219 3.382 -6.108 1.00 0.00 H new ATOM 0 HG21 ILE A 98 13.125 5.548 -3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 98 13.313 4.334 -2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 98 14.246 4.184 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.803 5.532 -7.120 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.960 5.779 -5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 98 12.725 5.981 -5.666 1.00 0.00 H new ATOM 122 N CYS A 99 10.397 0.804 -3.843 1.00 0.00 N ATOM 123 CA CYS A 99 9.318 -0.007 -4.388 1.00 0.00 C ATOM 124 C CYS A 99 8.488 0.797 -5.382 1.00 0.00 C ATOM 125 O CYS A 99 8.165 1.959 -5.135 1.00 0.00 O ATOM 126 CB CYS A 99 8.436 -0.543 -3.257 1.00 0.00 C ATOM 127 SG CYS A 99 8.024 0.691 -1.983 1.00 0.00 S ATOM 0 H CYS A 99 10.361 0.929 -2.831 1.00 0.00 H new ATOM 0 HA CYS A 99 9.755 -0.853 -4.919 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.511 -0.930 -3.685 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.943 -1.383 -2.783 1.00 0.00 H new ATOM 132 N SER A 100 8.163 0.171 -6.512 1.00 0.00 N ATOM 133 CA SER A 100 7.383 0.821 -7.564 1.00 0.00 C ATOM 134 C SER A 100 6.265 1.680 -6.984 1.00 0.00 C ATOM 135 O SER A 100 5.495 1.229 -6.136 1.00 0.00 O ATOM 136 CB SER A 100 6.794 -0.228 -8.511 1.00 0.00 C ATOM 137 OG SER A 100 5.941 -1.120 -7.816 1.00 0.00 O ATOM 0 H SER A 100 8.429 -0.791 -6.723 1.00 0.00 H new ATOM 0 HA SER A 100 8.057 1.474 -8.119 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.237 0.267 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.600 -0.787 -8.987 1.00 0.00 H new ATOM 0 HG SER A 100 5.009 -0.937 -8.058 1.00 0.00 H new ATOM 143 N LYS A 101 6.182 2.921 -7.452 1.00 0.00 N ATOM 144 CA LYS A 101 5.158 3.851 -6.988 1.00 0.00 C ATOM 145 C LYS A 101 3.791 3.516 -7.584 1.00 0.00 C ATOM 146 O LYS A 101 2.873 4.335 -7.547 1.00 0.00 O ATOM 147 CB LYS A 101 5.548 5.285 -7.349 1.00 0.00 C ATOM 148 CG LYS A 101 6.680 5.846 -6.507 1.00 0.00 C ATOM 149 CD LYS A 101 7.013 7.274 -6.913 1.00 0.00 C ATOM 150 CE LYS A 101 8.081 7.877 -6.015 1.00 0.00 C ATOM 151 NZ LYS A 101 9.347 7.098 -6.055 1.00 0.00 N ATOM 0 H LYS A 101 6.813 3.307 -8.154 1.00 0.00 H new ATOM 0 HA LYS A 101 5.086 3.758 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.838 5.319 -8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.674 5.927 -7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.400 5.821 -5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.564 5.218 -6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.356 7.288 -7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.112 7.885 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.277 8.904 -6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.712 7.917 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.142 7.713 -5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.286 6.302 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.500 6.733 -7.017 1.00 0.00 H new ATOM 165 N SER A 102 3.660 2.307 -8.123 1.00 0.00 N ATOM 166 CA SER A 102 2.403 1.866 -8.718 1.00 0.00 C ATOM 167 C SER A 102 1.334 1.670 -7.647 1.00 0.00 C ATOM 168 O SER A 102 0.189 2.091 -7.812 1.00 0.00 O ATOM 169 CB SER A 102 2.610 0.564 -9.492 1.00 0.00 C ATOM 170 OG SER A 102 3.087 -0.465 -8.642 1.00 0.00 O ATOM 0 H SER A 102 4.409 1.616 -8.160 1.00 0.00 H new ATOM 0 HA SER A 102 2.065 2.640 -9.407 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.670 0.256 -9.949 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.320 0.728 -10.303 1.00 0.00 H new ATOM 0 HG SER A 102 3.210 -1.287 -9.161 1.00 0.00 H new ATOM 176 N TYR A 103 1.721 1.025 -6.550 1.00 0.00 N ATOM 177 CA TYR A 103 0.805 0.763 -5.445 1.00 0.00 C ATOM 178 C TYR A 103 0.234 2.058 -4.876 1.00 0.00 C ATOM 179 O TYR A 103 -0.933 2.110 -4.486 1.00 0.00 O ATOM 180 CB TYR A 103 1.514 -0.030 -4.344 1.00 0.00 C ATOM 181 CG TYR A 103 1.752 -1.484 -4.693 1.00 0.00 C ATOM 182 CD1 TYR A 103 2.319 -1.849 -5.909 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.407 -2.492 -3.802 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.534 -3.177 -6.226 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.620 -3.823 -4.112 1.00 0.00 C ATOM 186 CZ TYR A 103 2.182 -4.159 -5.325 1.00 0.00 C ATOM 187 OH TYR A 103 2.395 -5.482 -5.637 1.00 0.00 O ATOM 0 H TYR A 103 2.667 0.673 -6.403 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.025 0.172 -5.833 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.472 0.443 -4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.920 0.022 -3.432 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.596 -1.082 -6.617 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.965 -2.232 -2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.976 -3.444 -7.175 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.347 -4.595 -3.407 1.00 0.00 H new ATOM 0 HH TYR A 103 2.864 -5.921 -4.897 1.00 0.00 H new ATOM 197 N LEU A 104 1.060 3.100 -4.831 1.00 0.00 N ATOM 198 CA LEU A 104 0.631 4.395 -4.308 1.00 0.00 C ATOM 199 C LEU A 104 -0.676 4.835 -4.960 1.00 0.00 C ATOM 200 O LEU A 104 -0.950 4.486 -6.107 1.00 0.00 O ATOM 201 CB LEU A 104 1.716 5.450 -4.538 1.00 0.00 C ATOM 202 CG LEU A 104 3.042 5.180 -3.822 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.052 6.271 -4.144 1.00 0.00 C ATOM 204 CD2 LEU A 104 2.828 5.078 -2.320 1.00 0.00 C ATOM 0 H LEU A 104 2.029 3.074 -5.150 1.00 0.00 H new ATOM 0 HA LEU A 104 0.464 4.290 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.907 5.526 -5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.335 6.418 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 104 3.437 4.228 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.989 6.064 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.229 6.297 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.663 7.235 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.782 4.886 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.410 6.013 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.138 4.262 -2.105 1.00 0.00 H new ATOM 216 N THR A 105 -1.480 5.587 -4.206 1.00 0.00 N ATOM 217 CA THR A 105 -2.777 6.075 -4.680 1.00 0.00 C ATOM 218 C THR A 105 -3.723 4.916 -4.984 1.00 0.00 C ATOM 219 O THR A 105 -3.320 3.904 -5.558 1.00 0.00 O ATOM 220 CB THR A 105 -2.646 6.971 -5.932 1.00 0.00 C ATOM 221 OG1 THR A 105 -2.263 6.192 -7.070 1.00 0.00 O ATOM 222 CG2 THR A 105 -1.622 8.072 -5.701 1.00 0.00 C ATOM 0 H THR A 105 -1.252 5.874 -3.254 1.00 0.00 H new ATOM 0 HA THR A 105 -3.190 6.679 -3.872 1.00 0.00 H new ATOM 0 HB THR A 105 -3.618 7.426 -6.122 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.097 5.267 -6.792 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.545 8.691 -6.595 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.935 8.689 -4.858 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.651 7.626 -5.484 1.00 0.00 H new ATOM 230 N LEU A 106 -4.981 5.066 -4.585 1.00 0.00 N ATOM 231 CA LEU A 106 -5.979 4.024 -4.805 1.00 0.00 C ATOM 232 C LEU A 106 -7.353 4.624 -5.081 1.00 0.00 C ATOM 233 O LEU A 106 -7.755 5.598 -4.447 1.00 0.00 O ATOM 234 CB LEU A 106 -6.059 3.101 -3.584 1.00 0.00 C ATOM 235 CG LEU A 106 -7.053 1.942 -3.705 1.00 0.00 C ATOM 236 CD1 LEU A 106 -6.783 1.125 -4.960 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.992 1.059 -2.469 1.00 0.00 C ATOM 0 H LEU A 106 -5.334 5.896 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.672 3.448 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.068 2.690 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.328 3.699 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.057 2.360 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.502 0.308 -5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.881 1.764 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.773 0.717 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.704 0.240 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.986 0.653 -2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.242 1.649 -1.587 1.00 0.00 H new ATOM 249 N GLU A 107 -8.073 4.029 -6.026 1.00 0.00 N ATOM 250 CA GLU A 107 -9.405 4.501 -6.375 1.00 0.00 C ATOM 251 C GLU A 107 -10.372 4.249 -5.224 1.00 0.00 C ATOM 252 O GLU A 107 -10.441 3.140 -4.693 1.00 0.00 O ATOM 253 CB GLU A 107 -9.915 3.812 -7.646 1.00 0.00 C ATOM 254 CG GLU A 107 -9.106 4.141 -8.892 1.00 0.00 C ATOM 255 CD GLU A 107 -7.788 3.392 -8.967 1.00 0.00 C ATOM 256 OE1 GLU A 107 -7.569 2.485 -8.137 1.00 0.00 O ATOM 257 OE2 GLU A 107 -6.982 3.700 -9.870 1.00 0.00 O ATOM 0 H GLU A 107 -7.756 3.221 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.346 5.573 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.904 2.733 -7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.953 4.100 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.700 3.906 -9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.909 5.213 -8.916 1.00 0.00 H new ATOM 264 N ASN A 108 -11.113 5.284 -4.842 1.00 0.00 N ATOM 265 CA ASN A 108 -12.074 5.175 -3.750 1.00 0.00 C ATOM 266 C ASN A 108 -11.384 4.717 -2.467 1.00 0.00 C ATOM 267 O ASN A 108 -11.909 3.882 -1.731 1.00 0.00 O ATOM 268 CB ASN A 108 -13.193 4.200 -4.122 1.00 0.00 C ATOM 269 CG ASN A 108 -13.971 4.656 -5.341 1.00 0.00 C ATOM 270 OD1 ASN A 108 -14.587 5.721 -5.337 1.00 0.00 O ATOM 271 ND2 ASN A 108 -13.945 3.848 -6.396 1.00 0.00 N ATOM 0 H ASN A 108 -11.067 6.208 -5.272 1.00 0.00 H new ATOM 0 HA ASN A 108 -12.507 6.160 -3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.766 3.216 -4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.874 4.093 -3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -14.449 4.102 -7.246 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.421 2.974 -6.356 1.00 0.00 H new ATOM 278 N GLY A 109 -10.202 5.270 -2.209 1.00 0.00 N ATOM 279 CA GLY A 109 -9.455 4.907 -1.019 1.00 0.00 C ATOM 280 C GLY A 109 -8.122 5.619 -0.928 1.00 0.00 C ATOM 281 O GLY A 109 -7.534 5.991 -1.943 1.00 0.00 O ATOM 0 H GLY A 109 -9.749 5.964 -2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.049 5.142 -0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.288 3.830 -1.014 1.00 0.00 H new ATOM 285 N LYS A 110 -7.646 5.804 0.294 1.00 0.00 N ATOM 286 CA LYS A 110 -6.370 6.472 0.528 1.00 0.00 C ATOM 287 C LYS A 110 -5.359 5.505 1.132 1.00 0.00 C ATOM 288 O LYS A 110 -5.665 4.790 2.087 1.00 0.00 O ATOM 289 CB LYS A 110 -6.556 7.675 1.455 1.00 0.00 C ATOM 290 CG LYS A 110 -7.502 8.730 0.905 1.00 0.00 C ATOM 291 CD LYS A 110 -7.592 9.933 1.831 1.00 0.00 C ATOM 292 CE LYS A 110 -8.548 10.984 1.291 1.00 0.00 C ATOM 293 NZ LYS A 110 -9.935 10.461 1.166 1.00 0.00 N ATOM 0 H LYS A 110 -8.124 5.501 1.143 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.991 6.821 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.934 7.327 2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.584 8.133 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.159 9.051 -0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.493 8.297 0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.925 9.610 2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.602 10.371 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.545 11.851 1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.199 11.325 0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.594 11.254 1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.991 9.816 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.192 9.947 2.033 1.00 0.00 H new ATOM 307 N VAL A 111 -4.156 5.485 0.571 1.00 0.00 N ATOM 308 CA VAL A 111 -3.106 4.601 1.058 1.00 0.00 C ATOM 309 C VAL A 111 -2.016 5.383 1.783 1.00 0.00 C ATOM 310 O VAL A 111 -1.391 6.274 1.207 1.00 0.00 O ATOM 311 CB VAL A 111 -2.470 3.801 -0.096 1.00 0.00 C ATOM 312 CG1 VAL A 111 -1.351 2.908 0.420 1.00 0.00 C ATOM 313 CG2 VAL A 111 -3.524 2.980 -0.821 1.00 0.00 C ATOM 0 H VAL A 111 -3.884 6.070 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.574 3.909 1.758 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.039 4.507 -0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.916 2.353 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.582 3.522 0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.752 2.209 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.056 2.422 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.987 2.284 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.285 3.645 -1.229 1.00 0.00 H new ATOM 323 N PHE A 112 -1.782 5.035 3.045 1.00 0.00 N ATOM 324 CA PHE A 112 -0.753 5.696 3.840 1.00 0.00 C ATOM 325 C PHE A 112 0.630 5.224 3.406 1.00 0.00 C ATOM 326 O PHE A 112 0.896 4.024 3.362 1.00 0.00 O ATOM 327 CB PHE A 112 -0.967 5.420 5.332 1.00 0.00 C ATOM 328 CG PHE A 112 -2.184 6.095 5.906 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.431 5.926 5.323 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.079 6.898 7.030 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.548 6.545 5.851 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.192 7.521 7.562 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.428 7.344 6.971 1.00 0.00 C ATOM 0 H PHE A 112 -2.290 4.301 3.538 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.824 6.771 3.676 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -1.054 4.344 5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.086 5.750 5.883 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.530 5.303 4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.115 7.039 7.496 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.514 6.404 5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.096 8.145 8.438 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.299 7.830 7.384 1.00 0.00 H new ATOM 343 N LEU A 113 1.499 6.176 3.073 1.00 0.00 N ATOM 344 CA LEU A 113 2.852 5.858 2.623 1.00 0.00 C ATOM 345 C LEU A 113 3.892 6.227 3.679 1.00 0.00 C ATOM 346 O LEU A 113 3.774 7.250 4.353 1.00 0.00 O ATOM 347 CB LEU A 113 3.144 6.589 1.302 1.00 0.00 C ATOM 348 CG LEU A 113 4.497 6.283 0.638 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.637 6.978 1.369 1.00 0.00 C ATOM 350 CD2 LEU A 113 4.740 4.782 0.576 1.00 0.00 C ATOM 0 H LEU A 113 1.290 7.174 3.106 1.00 0.00 H new ATOM 0 HA LEU A 113 2.916 4.782 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.352 6.345 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.088 7.662 1.485 1.00 0.00 H new ATOM 0 HG LEU A 113 4.463 6.670 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.581 6.743 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.477 8.056 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.671 6.633 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.703 4.589 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.743 4.372 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.948 4.309 -0.005 1.00 0.00 H new ATOM 362 N THR A 114 4.915 5.383 3.805 1.00 0.00 N ATOM 363 CA THR A 114 5.993 5.607 4.763 1.00 0.00 C ATOM 364 C THR A 114 7.202 4.739 4.424 1.00 0.00 C ATOM 365 O THR A 114 7.248 3.560 4.777 1.00 0.00 O ATOM 366 CB THR A 114 5.541 5.296 6.205 1.00 0.00 C ATOM 367 OG1 THR A 114 4.442 6.137 6.571 1.00 0.00 O ATOM 368 CG2 THR A 114 6.685 5.496 7.188 1.00 0.00 C ATOM 0 H THR A 114 5.019 4.533 3.251 1.00 0.00 H new ATOM 0 HA THR A 114 6.266 6.660 4.699 1.00 0.00 H new ATOM 0 HB THR A 114 5.227 4.253 6.242 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.360 6.869 5.924 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.341 5.270 8.197 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.508 4.831 6.928 1.00 0.00 H new ATOM 0 HG23 THR A 114 7.026 6.530 7.144 1.00 0.00 H new ATOM 376 N GLY A 115 8.178 5.326 3.733 1.00 0.00 N ATOM 377 CA GLY A 115 9.368 4.582 3.357 1.00 0.00 C ATOM 378 C GLY A 115 10.163 5.258 2.255 1.00 0.00 C ATOM 379 O GLY A 115 11.381 5.108 2.181 1.00 0.00 O ATOM 0 H GLY A 115 8.166 6.299 3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.004 4.457 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.078 3.584 3.029 1.00 0.00 H new ATOM 383 N GLY A 116 9.462 5.987 1.389 1.00 0.00 N ATOM 384 CA GLY A 116 10.103 6.671 0.276 1.00 0.00 C ATOM 385 C GLY A 116 11.419 7.338 0.639 1.00 0.00 C ATOM 386 O GLY A 116 11.615 7.765 1.778 1.00 0.00 O ATOM 0 H GLY A 116 8.452 6.117 1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.279 5.954 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.421 7.425 -0.116 1.00 0.00 H new ATOM 390 N ASP A 117 12.315 7.422 -0.346 1.00 0.00 N ATOM 391 CA ASP A 117 13.631 8.038 -0.171 1.00 0.00 C ATOM 392 C ASP A 117 14.556 7.164 0.674 1.00 0.00 C ATOM 393 O ASP A 117 15.357 7.673 1.459 1.00 0.00 O ATOM 394 CB ASP A 117 13.493 9.424 0.464 1.00 0.00 C ATOM 395 CG ASP A 117 12.679 10.377 -0.390 1.00 0.00 C ATOM 396 OD1 ASP A 117 12.225 9.963 -1.477 1.00 0.00 O ATOM 397 OD2 ASP A 117 12.495 11.539 0.030 1.00 0.00 O ATOM 0 H ASP A 117 12.149 7.065 -1.287 1.00 0.00 H new ATOM 0 HA ASP A 117 14.078 8.140 -1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.023 9.326 1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.485 9.845 0.628 1.00 0.00 H new ATOM 402 N LEU A 118 14.456 5.849 0.492 1.00 0.00 N ATOM 403 CA LEU A 118 15.293 4.902 1.224 1.00 0.00 C ATOM 404 C LEU A 118 15.700 3.731 0.333 1.00 0.00 C ATOM 405 O LEU A 118 14.960 3.336 -0.568 1.00 0.00 O ATOM 406 CB LEU A 118 14.576 4.370 2.474 1.00 0.00 C ATOM 407 CG LEU A 118 14.632 5.267 3.720 1.00 0.00 C ATOM 408 CD1 LEU A 118 16.063 5.696 4.010 1.00 0.00 C ATOM 409 CD2 LEU A 118 13.722 6.476 3.570 1.00 0.00 C ATOM 0 H LEU A 118 13.801 5.414 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 118 16.188 5.440 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.530 4.198 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.005 3.401 2.729 1.00 0.00 H new ATOM 0 HG LEU A 118 14.272 4.685 4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 118 16.080 6.330 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 118 16.679 4.814 4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 118 16.456 6.251 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 118 13.784 7.091 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 118 14.035 7.062 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 118 12.694 6.142 3.429 1.00 0.00 H new ATOM 421 N PRO A 119 16.897 3.165 0.578 1.00 0.00 N ATOM 422 CA PRO A 119 17.417 2.038 -0.202 1.00 0.00 C ATOM 423 C PRO A 119 16.417 0.894 -0.317 1.00 0.00 C ATOM 424 O PRO A 119 16.296 0.064 0.585 1.00 0.00 O ATOM 425 CB PRO A 119 18.642 1.590 0.597 1.00 0.00 C ATOM 426 CG PRO A 119 19.086 2.809 1.329 1.00 0.00 C ATOM 427 CD PRO A 119 17.837 3.590 1.633 1.00 0.00 C ATOM 0 HA PRO A 119 17.638 2.327 -1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.391 0.784 1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.427 1.215 -0.060 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.612 2.543 2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.776 3.397 0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.453 3.362 2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.018 4.664 1.600 1.00 0.00 H new ATOM 435 N ALA A 120 15.705 0.858 -1.439 1.00 0.00 N ATOM 436 CA ALA A 120 14.712 -0.179 -1.699 1.00 0.00 C ATOM 437 C ALA A 120 13.670 -0.248 -0.589 1.00 0.00 C ATOM 438 O ALA A 120 12.946 -1.237 -0.471 1.00 0.00 O ATOM 439 CB ALA A 120 15.394 -1.529 -1.860 1.00 0.00 C ATOM 0 H ALA A 120 15.799 1.542 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 120 14.197 0.078 -2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.643 -2.295 -2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.093 -1.486 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.935 -1.774 -0.946 1.00 0.00 H new ATOM 445 N LEU A 121 13.592 0.806 0.218 1.00 0.00 N ATOM 446 CA LEU A 121 12.633 0.858 1.315 1.00 0.00 C ATOM 447 C LEU A 121 12.630 -0.443 2.108 1.00 0.00 C ATOM 448 O LEU A 121 11.621 -1.144 2.162 1.00 0.00 O ATOM 449 CB LEU A 121 11.226 1.157 0.792 1.00 0.00 C ATOM 450 CG LEU A 121 10.948 2.630 0.491 1.00 0.00 C ATOM 451 CD1 LEU A 121 11.782 3.108 -0.687 1.00 0.00 C ATOM 452 CD2 LEU A 121 9.467 2.845 0.221 1.00 0.00 C ATOM 0 H LEU A 121 14.181 1.634 0.133 1.00 0.00 H new ATOM 0 HA LEU A 121 12.939 1.664 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 121 11.062 0.579 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 121 10.500 0.808 1.527 1.00 0.00 H new ATOM 0 HG LEU A 121 11.230 3.217 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.567 4.159 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 121 12.841 2.991 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 121 11.537 2.517 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.285 3.898 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 121 9.162 2.244 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.890 2.547 1.097 1.00 0.00 H new ATOM 464 N ASP A 122 13.768 -0.762 2.717 1.00 0.00 N ATOM 465 CA ASP A 122 13.898 -1.981 3.508 1.00 0.00 C ATOM 466 C ASP A 122 13.192 -1.819 4.857 1.00 0.00 C ATOM 467 O ASP A 122 13.736 -2.163 5.906 1.00 0.00 O ATOM 468 CB ASP A 122 15.379 -2.322 3.707 1.00 0.00 C ATOM 469 CG ASP A 122 15.599 -3.736 4.213 1.00 0.00 C ATOM 470 OD1 ASP A 122 15.122 -4.058 5.320 1.00 0.00 O ATOM 471 OD2 ASP A 122 16.251 -4.525 3.497 1.00 0.00 O ATOM 0 H ASP A 122 14.614 -0.193 2.678 1.00 0.00 H new ATOM 0 HA ASP A 122 13.422 -2.803 2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.906 -2.194 2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.817 -1.617 4.414 1.00 0.00 H new ATOM 476 N GLY A 123 11.974 -1.286 4.815 1.00 0.00 N ATOM 477 CA GLY A 123 11.198 -1.080 6.022 1.00 0.00 C ATOM 478 C GLY A 123 9.998 -0.183 5.781 1.00 0.00 C ATOM 479 O GLY A 123 9.526 0.496 6.693 1.00 0.00 O ATOM 0 H GLY A 123 11.508 -0.991 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 123 10.860 -2.043 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 123 11.833 -0.638 6.790 1.00 0.00 H new ATOM 483 N ALA A 124 9.508 -0.182 4.544 1.00 0.00 N ATOM 484 CA ALA A 124 8.357 0.632 4.169 1.00 0.00 C ATOM 485 C ALA A 124 7.049 -0.041 4.562 1.00 0.00 C ATOM 486 O ALA A 124 6.910 -1.259 4.452 1.00 0.00 O ATOM 487 CB ALA A 124 8.370 0.907 2.676 1.00 0.00 C ATOM 0 H ALA A 124 9.893 -0.739 3.781 1.00 0.00 H new ATOM 0 HA ALA A 124 8.428 1.576 4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.505 1.515 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.283 1.440 2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.330 -0.037 2.132 1.00 0.00 H new ATOM 493 N ARG A 125 6.089 0.759 5.010 1.00 0.00 N ATOM 494 CA ARG A 125 4.785 0.244 5.410 1.00 0.00 C ATOM 495 C ARG A 125 3.668 1.121 4.855 1.00 0.00 C ATOM 496 O ARG A 125 3.699 2.344 4.995 1.00 0.00 O ATOM 497 CB ARG A 125 4.681 0.176 6.934 1.00 0.00 C ATOM 498 CG ARG A 125 5.655 -0.798 7.575 1.00 0.00 C ATOM 499 CD ARG A 125 5.523 -0.796 9.089 1.00 0.00 C ATOM 500 NE ARG A 125 6.422 -1.756 9.724 1.00 0.00 N ATOM 501 CZ ARG A 125 6.491 -1.939 11.039 1.00 0.00 C ATOM 502 NH1 ARG A 125 5.723 -1.228 11.852 1.00 0.00 N ATOM 503 NH2 ARG A 125 7.330 -2.836 11.541 1.00 0.00 N ATOM 0 H ARG A 125 6.189 1.770 5.106 1.00 0.00 H new ATOM 0 HA ARG A 125 4.678 -0.761 5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 125 4.854 1.171 7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 125 3.665 -0.109 7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 125 5.472 -1.802 7.193 1.00 0.00 H new ATOM 0 HG3 ARG A 125 6.675 -0.532 7.296 1.00 0.00 H new ATOM 0 HD2 ARG A 125 5.735 0.203 9.469 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.494 -1.029 9.362 1.00 0.00 H new ATOM 0 HE ARG A 125 7.030 -2.316 9.126 1.00 0.00 H new ATOM 0 HH11 ARG A 125 5.077 -0.538 11.469 1.00 0.00 H new ATOM 0 HH12 ARG A 125 5.778 -1.371 12.860 1.00 0.00 H new ATOM 0 HH21 ARG A 125 7.922 -3.385 10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 125 7.383 -2.976 12.550 1.00 0.00 H new ATOM 517 N VAL A 126 2.684 0.490 4.221 1.00 0.00 N ATOM 518 CA VAL A 126 1.563 1.217 3.643 1.00 0.00 C ATOM 519 C VAL A 126 0.237 0.530 3.946 1.00 0.00 C ATOM 520 O VAL A 126 0.153 -0.702 3.977 1.00 0.00 O ATOM 521 CB VAL A 126 1.705 1.357 2.116 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.027 2.020 1.760 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.576 -0.001 1.443 1.00 0.00 C ATOM 0 H VAL A 126 2.642 -0.521 4.096 1.00 0.00 H new ATOM 0 HA VAL A 126 1.572 2.207 4.099 1.00 0.00 H new ATOM 0 HB VAL A 126 0.900 1.994 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.109 2.110 0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.070 3.011 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 126 3.851 1.414 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.679 0.116 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.357 -0.666 1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 126 0.599 -0.428 1.670 1.00 0.00 H new ATOM 533 N GLU A 127 -0.799 1.337 4.161 1.00 0.00 N ATOM 534 CA GLU A 127 -2.129 0.814 4.452 1.00 0.00 C ATOM 535 C GLU A 127 -3.119 1.263 3.380 1.00 0.00 C ATOM 536 O GLU A 127 -3.290 2.457 3.143 1.00 0.00 O ATOM 537 CB GLU A 127 -2.593 1.286 5.830 1.00 0.00 C ATOM 538 CG GLU A 127 -3.881 0.626 6.298 1.00 0.00 C ATOM 539 CD GLU A 127 -4.302 1.079 7.682 1.00 0.00 C ATOM 540 OE1 GLU A 127 -3.581 1.904 8.283 1.00 0.00 O ATOM 541 OE2 GLU A 127 -5.352 0.607 8.167 1.00 0.00 O ATOM 0 H GLU A 127 -0.742 2.355 4.139 1.00 0.00 H new ATOM 0 HA GLU A 127 -2.084 -0.275 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.807 1.085 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.736 2.366 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.678 0.850 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.750 -0.456 6.299 1.00 0.00 H new ATOM 548 N PHE A 128 -3.758 0.297 2.724 1.00 0.00 N ATOM 549 CA PHE A 128 -4.716 0.594 1.663 1.00 0.00 C ATOM 550 C PHE A 128 -6.117 0.858 2.215 1.00 0.00 C ATOM 551 O PHE A 128 -7.087 0.234 1.782 1.00 0.00 O ATOM 552 CB PHE A 128 -4.766 -0.554 0.650 1.00 0.00 C ATOM 553 CG PHE A 128 -3.449 -0.826 -0.022 1.00 0.00 C ATOM 554 CD1 PHE A 128 -2.379 -1.339 0.695 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.281 -0.566 -1.373 1.00 0.00 C ATOM 556 CE1 PHE A 128 -1.168 -1.586 0.076 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.073 -0.812 -1.995 1.00 0.00 C ATOM 558 CZ PHE A 128 -1.015 -1.322 -1.271 1.00 0.00 C ATOM 0 H PHE A 128 -3.629 -0.698 2.909 1.00 0.00 H new ATOM 0 HA PHE A 128 -4.375 1.502 1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -5.099 -1.460 1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.511 -0.323 -0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -2.493 -1.548 1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.105 -0.166 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -0.342 -1.985 0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -1.956 -0.605 -3.049 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.070 -1.514 -1.756 1.00 0.00 H new ATOM 568 N ARG A 129 -6.224 1.785 3.163 1.00 0.00 N ATOM 569 CA ARG A 129 -7.519 2.117 3.752 1.00 0.00 C ATOM 570 C ARG A 129 -8.499 2.597 2.684 1.00 0.00 C ATOM 571 O ARG A 129 -8.189 3.493 1.901 1.00 0.00 O ATOM 572 CB ARG A 129 -7.365 3.193 4.828 1.00 0.00 C ATOM 573 CG ARG A 129 -6.559 2.747 6.028 1.00 0.00 C ATOM 574 CD ARG A 129 -6.523 3.805 7.124 1.00 0.00 C ATOM 575 NE ARG A 129 -7.841 4.051 7.712 1.00 0.00 N ATOM 576 CZ ARG A 129 -8.770 4.839 7.168 1.00 0.00 C ATOM 577 NH1 ARG A 129 -8.508 5.522 6.063 1.00 0.00 N ATOM 578 NH2 ARG A 129 -9.956 4.960 7.748 1.00 0.00 N ATOM 0 H ARG A 129 -5.438 2.316 3.538 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.915 1.210 4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.888 4.069 4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -8.355 3.503 5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.985 1.827 6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -5.541 2.517 5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -5.833 3.489 7.907 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.133 4.736 6.713 1.00 0.00 H new ATOM 0 HE ARG A 129 -8.063 3.590 8.594 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -7.591 5.447 5.623 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -9.223 6.122 5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -10.157 4.451 8.609 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -10.667 5.562 7.333 1.00 0.00 H new ATOM 592 N CYS A 130 -9.683 1.993 2.666 1.00 0.00 N ATOM 593 CA CYS A 130 -10.715 2.356 1.702 1.00 0.00 C ATOM 594 C CYS A 130 -11.603 3.471 2.249 1.00 0.00 C ATOM 595 O CYS A 130 -11.845 3.550 3.453 1.00 0.00 O ATOM 596 CB CYS A 130 -11.568 1.134 1.352 1.00 0.00 C ATOM 597 SG CYS A 130 -10.616 -0.285 0.717 1.00 0.00 S ATOM 0 H CYS A 130 -9.952 1.249 3.310 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.223 2.718 0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -12.116 0.821 2.241 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.308 1.423 0.606 1.00 0.00 H new ATOM 602 N ASP A 131 -12.086 4.329 1.354 1.00 0.00 N ATOM 603 CA ASP A 131 -12.951 5.441 1.741 1.00 0.00 C ATOM 604 C ASP A 131 -14.138 4.950 2.570 1.00 0.00 C ATOM 605 O ASP A 131 -14.555 3.800 2.439 1.00 0.00 O ATOM 606 CB ASP A 131 -13.456 6.180 0.497 1.00 0.00 C ATOM 607 CG ASP A 131 -14.234 5.281 -0.443 1.00 0.00 C ATOM 608 OD1 ASP A 131 -14.339 4.070 -0.158 1.00 0.00 O ATOM 609 OD2 ASP A 131 -14.734 5.787 -1.470 1.00 0.00 O ATOM 0 H ASP A 131 -11.893 4.276 0.354 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.364 6.127 2.352 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.090 7.011 0.806 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.607 6.608 -0.036 1.00 0.00 H new ATOM 614 N PRO A 132 -14.691 5.817 3.443 1.00 0.00 N ATOM 615 CA PRO A 132 -15.834 5.469 4.304 1.00 0.00 C ATOM 616 C PRO A 132 -17.052 5.002 3.509 1.00 0.00 C ATOM 617 O PRO A 132 -18.025 5.741 3.353 1.00 0.00 O ATOM 618 CB PRO A 132 -16.148 6.779 5.035 1.00 0.00 C ATOM 619 CG PRO A 132 -14.886 7.567 4.971 1.00 0.00 C ATOM 620 CD PRO A 132 -14.242 7.203 3.664 1.00 0.00 C ATOM 0 HA PRO A 132 -15.595 4.639 4.968 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.970 7.311 4.556 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -16.446 6.594 6.067 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.090 8.637 5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.232 7.327 5.809 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.563 7.864 2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.155 7.271 3.718 1.00 0.00 H new ATOM 628 N ASP A 133 -16.986 3.770 3.011 1.00 0.00 N ATOM 629 CA ASP A 133 -18.071 3.188 2.230 1.00 0.00 C ATOM 630 C ASP A 133 -17.704 1.772 1.798 1.00 0.00 C ATOM 631 O ASP A 133 -18.539 0.868 1.818 1.00 0.00 O ATOM 632 CB ASP A 133 -18.373 4.051 1.001 1.00 0.00 C ATOM 633 CG ASP A 133 -19.557 3.537 0.204 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.492 2.391 -0.289 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.551 4.282 0.072 1.00 0.00 O ATOM 0 H ASP A 133 -16.185 3.152 3.137 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.964 3.149 2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.571 5.074 1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.493 4.082 0.358 1.00 0.00 H new ATOM 640 N PHE A 134 -16.444 1.592 1.412 1.00 0.00 N ATOM 641 CA PHE A 134 -15.949 0.291 0.978 1.00 0.00 C ATOM 642 C PHE A 134 -15.007 -0.292 2.026 1.00 0.00 C ATOM 643 O PHE A 134 -14.195 0.427 2.606 1.00 0.00 O ATOM 644 CB PHE A 134 -15.208 0.413 -0.360 1.00 0.00 C ATOM 645 CG PHE A 134 -16.018 1.034 -1.466 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.433 2.354 -1.388 1.00 0.00 C ATOM 647 CD2 PHE A 134 -16.361 0.294 -2.586 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.175 2.924 -2.405 1.00 0.00 C ATOM 649 CE2 PHE A 134 -17.103 0.858 -3.606 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.510 2.174 -3.516 1.00 0.00 C ATOM 0 H PHE A 134 -15.745 2.335 1.391 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.805 -0.372 0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.307 1.007 -0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -14.887 -0.580 -0.675 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.173 2.944 -0.522 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -16.045 -0.736 -2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.492 3.954 -2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -17.364 0.270 -4.473 1.00 0.00 H new ATOM 0 HZ PHE A 134 -18.089 2.617 -4.313 1.00 0.00 H new ATOM 660 N HIS A 135 -15.113 -1.596 2.265 1.00 0.00 N ATOM 661 CA HIS A 135 -14.257 -2.254 3.244 1.00 0.00 C ATOM 662 C HIS A 135 -13.143 -3.034 2.551 1.00 0.00 C ATOM 663 O HIS A 135 -13.387 -3.788 1.608 1.00 0.00 O ATOM 664 CB HIS A 135 -15.073 -3.179 4.153 1.00 0.00 C ATOM 665 CG HIS A 135 -15.817 -4.255 3.427 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.795 -3.998 2.489 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.728 -5.605 3.514 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.275 -5.141 2.031 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.644 -6.130 2.635 1.00 0.00 N ATOM 0 H HIS A 135 -15.778 -2.213 1.798 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.803 -1.481 3.864 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.402 -3.642 4.877 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.786 -2.578 4.718 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.062 -6.163 4.155 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -18.052 -5.247 1.288 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.810 -7.124 2.475 1.00 0.00 H new ATOM 678 N LEU A 136 -11.915 -2.832 3.023 1.00 0.00 N ATOM 679 CA LEU A 136 -10.746 -3.498 2.458 1.00 0.00 C ATOM 680 C LEU A 136 -10.758 -4.989 2.780 1.00 0.00 C ATOM 681 O LEU A 136 -10.987 -5.385 3.924 1.00 0.00 O ATOM 682 CB LEU A 136 -9.472 -2.840 2.989 1.00 0.00 C ATOM 683 CG LEU A 136 -8.156 -3.443 2.494 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.151 -3.576 0.979 1.00 0.00 C ATOM 685 CD2 LEU A 136 -6.988 -2.589 2.956 1.00 0.00 C ATOM 0 H LEU A 136 -11.704 -2.207 3.801 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.774 -3.394 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.491 -1.784 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.486 -2.890 4.078 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.055 -4.442 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.204 -4.007 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -8.970 -4.224 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.275 -2.592 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.055 -3.025 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.094 -1.581 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.976 -2.547 4.045 1.00 0.00 H new ATOM 697 N VAL A 137 -10.528 -5.814 1.760 1.00 0.00 N ATOM 698 CA VAL A 137 -10.532 -7.264 1.932 1.00 0.00 C ATOM 699 C VAL A 137 -9.364 -7.929 1.203 1.00 0.00 C ATOM 700 O VAL A 137 -9.571 -8.658 0.232 1.00 0.00 O ATOM 701 CB VAL A 137 -11.848 -7.875 1.412 1.00 0.00 C ATOM 702 CG1 VAL A 137 -11.921 -9.359 1.736 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.047 -7.137 1.986 1.00 0.00 C ATOM 0 H VAL A 137 -10.337 -5.503 0.808 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.432 -7.450 3.001 1.00 0.00 H new ATOM 0 HB VAL A 137 -11.868 -7.765 0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.858 -9.768 1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -11.085 -9.876 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.872 -9.498 2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -13.966 -7.584 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -13.031 -7.208 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.005 -6.089 1.690 1.00 0.00 H new ATOM 713 N GLY A 138 -8.138 -7.693 1.662 1.00 0.00 N ATOM 714 CA GLY A 138 -6.999 -8.309 1.006 1.00 0.00 C ATOM 715 C GLY A 138 -5.677 -7.975 1.660 1.00 0.00 C ATOM 716 O GLY A 138 -5.559 -7.996 2.884 1.00 0.00 O ATOM 0 H GLY A 138 -7.915 -7.098 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.132 -9.391 1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.972 -7.989 -0.036 1.00 0.00 H new ATOM 720 N SER A 139 -4.681 -7.672 0.832 1.00 0.00 N ATOM 721 CA SER A 139 -3.353 -7.329 1.309 1.00 0.00 C ATOM 722 C SER A 139 -3.341 -5.922 1.893 1.00 0.00 C ATOM 723 O SER A 139 -2.599 -5.052 1.436 1.00 0.00 O ATOM 724 CB SER A 139 -2.353 -7.436 0.164 1.00 0.00 C ATOM 725 OG SER A 139 -2.298 -8.757 -0.346 1.00 0.00 O ATOM 0 H SER A 139 -4.775 -7.658 -0.184 1.00 0.00 H new ATOM 0 HA SER A 139 -3.070 -8.027 2.097 1.00 0.00 H new ATOM 0 HB2 SER A 139 -2.633 -6.747 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.364 -7.136 0.512 1.00 0.00 H new ATOM 0 HG SER A 139 -2.062 -8.731 -1.297 1.00 0.00 H new ATOM 731 N SER A 140 -4.182 -5.710 2.896 1.00 0.00 N ATOM 732 CA SER A 140 -4.300 -4.419 3.553 1.00 0.00 C ATOM 733 C SER A 140 -2.930 -3.846 3.906 1.00 0.00 C ATOM 734 O SER A 140 -2.670 -2.661 3.689 1.00 0.00 O ATOM 735 CB SER A 140 -5.164 -4.564 4.805 1.00 0.00 C ATOM 736 OG SER A 140 -5.336 -3.317 5.458 1.00 0.00 O ATOM 0 H SER A 140 -4.800 -6.428 3.275 1.00 0.00 H new ATOM 0 HA SER A 140 -4.775 -3.720 2.865 1.00 0.00 H new ATOM 0 HB2 SER A 140 -6.137 -4.972 4.533 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.701 -5.275 5.489 1.00 0.00 H new ATOM 0 HG SER A 140 -5.894 -3.439 6.254 1.00 0.00 H new ATOM 742 N ARG A 141 -2.053 -4.691 4.441 1.00 0.00 N ATOM 743 CA ARG A 141 -0.709 -4.261 4.811 1.00 0.00 C ATOM 744 C ARG A 141 0.316 -4.720 3.776 1.00 0.00 C ATOM 745 O ARG A 141 0.314 -5.879 3.360 1.00 0.00 O ATOM 746 CB ARG A 141 -0.336 -4.797 6.196 1.00 0.00 C ATOM 747 CG ARG A 141 -0.394 -6.313 6.306 1.00 0.00 C ATOM 748 CD ARG A 141 -0.019 -6.781 7.703 1.00 0.00 C ATOM 749 NE ARG A 141 -0.100 -8.233 7.838 1.00 0.00 N ATOM 750 CZ ARG A 141 0.174 -8.886 8.964 1.00 0.00 C ATOM 751 NH1 ARG A 141 0.548 -8.218 10.048 1.00 0.00 N ATOM 752 NH2 ARG A 141 0.073 -10.208 9.009 1.00 0.00 N ATOM 0 H ARG A 141 -2.249 -5.675 4.627 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.701 -3.171 4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.671 -4.463 6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.008 -4.363 6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.398 -6.659 6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 141 0.283 -6.759 5.577 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.994 -6.452 7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.681 -6.312 8.431 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.383 -8.777 7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.626 -7.201 10.019 1.00 0.00 H new ATOM 0 HH12 ARG A 141 0.758 -8.721 10.910 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.215 -10.726 8.179 1.00 0.00 H new ATOM 0 HH22 ARG A 141 0.284 -10.706 9.874 1.00 0.00 H new ATOM 766 N SER A 142 1.191 -3.804 3.365 1.00 0.00 N ATOM 767 CA SER A 142 2.226 -4.115 2.379 1.00 0.00 C ATOM 768 C SER A 142 3.554 -3.477 2.774 1.00 0.00 C ATOM 769 O SER A 142 3.631 -2.267 2.992 1.00 0.00 O ATOM 770 CB SER A 142 1.802 -3.618 0.995 1.00 0.00 C ATOM 771 OG SER A 142 2.785 -3.922 0.020 1.00 0.00 O ATOM 0 H SER A 142 1.204 -2.840 3.699 1.00 0.00 H new ATOM 0 HA SER A 142 2.355 -5.197 2.347 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.854 -4.077 0.715 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.638 -2.541 1.027 1.00 0.00 H new ATOM 0 HG SER A 142 2.455 -4.635 -0.566 1.00 0.00 H new ATOM 777 N VAL A 143 4.598 -4.296 2.865 1.00 0.00 N ATOM 778 CA VAL A 143 5.922 -3.809 3.235 1.00 0.00 C ATOM 779 C VAL A 143 6.890 -3.906 2.061 1.00 0.00 C ATOM 780 O VAL A 143 7.070 -4.974 1.478 1.00 0.00 O ATOM 781 CB VAL A 143 6.497 -4.596 4.429 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.915 -4.141 4.742 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.601 -4.445 5.649 1.00 0.00 C ATOM 0 H VAL A 143 4.552 -5.299 2.688 1.00 0.00 H new ATOM 0 HA VAL A 143 5.807 -2.764 3.522 1.00 0.00 H new ATOM 0 HB VAL A 143 6.532 -5.651 4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.301 -4.710 5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.551 -4.307 3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.910 -3.080 4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 143 6.023 -5.007 6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.531 -3.392 5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.606 -4.828 5.420 1.00 0.00 H new ATOM 793 N CYS A 144 7.518 -2.784 1.724 1.00 0.00 N ATOM 794 CA CYS A 144 8.472 -2.746 0.621 1.00 0.00 C ATOM 795 C CYS A 144 9.774 -3.447 0.999 1.00 0.00 C ATOM 796 O CYS A 144 10.229 -3.366 2.139 1.00 0.00 O ATOM 797 CB CYS A 144 8.752 -1.302 0.198 1.00 0.00 C ATOM 798 SG CYS A 144 7.293 -0.425 -0.451 1.00 0.00 S ATOM 0 H CYS A 144 7.384 -1.891 2.198 1.00 0.00 H new ATOM 0 HA CYS A 144 8.029 -3.277 -0.222 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.143 -0.752 1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 144 9.532 -1.302 -0.563 1.00 0.00 H new ATOM 803 N SER A 145 10.365 -4.134 0.027 1.00 0.00 N ATOM 804 CA SER A 145 11.615 -4.853 0.241 1.00 0.00 C ATOM 805 C SER A 145 12.259 -5.194 -1.098 1.00 0.00 C ATOM 806 O SER A 145 11.608 -5.746 -1.986 1.00 0.00 O ATOM 807 CB SER A 145 11.368 -6.131 1.043 1.00 0.00 C ATOM 808 OG SER A 145 10.478 -6.998 0.363 1.00 0.00 O ATOM 0 H SER A 145 9.996 -4.208 -0.921 1.00 0.00 H new ATOM 0 HA SER A 145 12.290 -4.212 0.808 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.315 -6.642 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.957 -5.877 2.020 1.00 0.00 H new ATOM 0 HG SER A 145 10.482 -6.786 -0.594 1.00 0.00 H new ATOM 814 N GLN A 146 13.535 -4.848 -1.242 1.00 0.00 N ATOM 815 CA GLN A 146 14.260 -5.102 -2.481 1.00 0.00 C ATOM 816 C GLN A 146 13.523 -4.465 -3.654 1.00 0.00 C ATOM 817 O GLN A 146 13.454 -5.033 -4.745 1.00 0.00 O ATOM 818 CB GLN A 146 14.426 -6.607 -2.721 1.00 0.00 C ATOM 819 CG GLN A 146 15.318 -7.315 -1.708 1.00 0.00 C ATOM 820 CD GLN A 146 14.684 -7.444 -0.335 1.00 0.00 C ATOM 821 OE1 GLN A 146 14.482 -6.457 0.369 1.00 0.00 O ATOM 822 NE2 GLN A 146 14.367 -8.675 0.053 1.00 0.00 N ATOM 0 H GLN A 146 14.087 -4.391 -0.516 1.00 0.00 H new ATOM 0 HA GLN A 146 15.252 -4.659 -2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.442 -7.075 -2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.839 -6.760 -3.718 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.563 -8.309 -2.082 1.00 0.00 H new ATOM 0 HG3 GLN A 146 16.257 -6.769 -1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 146 14.552 -9.467 -0.562 1.00 0.00 H new ATOM 0 HE22 GLN A 146 13.939 -8.828 0.966 1.00 0.00 H new ATOM 831 N GLY A 147 12.966 -3.281 -3.413 1.00 0.00 N ATOM 832 CA GLY A 147 12.227 -2.575 -4.443 1.00 0.00 C ATOM 833 C GLY A 147 11.005 -3.347 -4.909 1.00 0.00 C ATOM 834 O GLY A 147 10.568 -3.201 -6.050 1.00 0.00 O ATOM 0 H GLY A 147 13.015 -2.796 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 147 11.916 -1.603 -4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.882 -2.389 -5.294 1.00 0.00 H new ATOM 838 N GLN A 148 10.453 -4.166 -4.016 1.00 0.00 N ATOM 839 CA GLN A 148 9.270 -4.963 -4.328 1.00 0.00 C ATOM 840 C GLN A 148 8.351 -5.060 -3.111 1.00 0.00 C ATOM 841 O GLN A 148 8.804 -5.359 -2.007 1.00 0.00 O ATOM 842 CB GLN A 148 9.679 -6.363 -4.789 1.00 0.00 C ATOM 843 CG GLN A 148 8.503 -7.252 -5.163 1.00 0.00 C ATOM 844 CD GLN A 148 8.927 -8.632 -5.638 1.00 0.00 C ATOM 845 OE1 GLN A 148 10.233 -8.882 -5.668 1.00 0.00 O flip ATOM 846 NE2 GLN A 148 8.088 -9.466 -5.975 1.00 0.00 N flip ATOM 0 H GLN A 148 10.808 -4.295 -3.068 1.00 0.00 H new ATOM 0 HA GLN A 148 8.728 -4.470 -5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.343 -6.273 -5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.249 -6.845 -3.995 1.00 0.00 H new ATOM 0 HG2 GLN A 148 7.846 -7.357 -4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 148 7.923 -6.766 -5.948 1.00 0.00 H new ATOM 0 HE21 GLN A 148 7.095 -9.235 -5.937 1.00 0.00 H new ATOM 0 HE22 GLN A 148 8.385 -10.389 -6.292 1.00 0.00 H new ATOM 855 N TRP A 149 7.062 -4.803 -3.315 1.00 0.00 N ATOM 856 CA TRP A 149 6.094 -4.863 -2.224 1.00 0.00 C ATOM 857 C TRP A 149 5.872 -6.300 -1.765 1.00 0.00 C ATOM 858 O TRP A 149 5.763 -7.215 -2.581 1.00 0.00 O ATOM 859 CB TRP A 149 4.764 -4.236 -2.639 1.00 0.00 C ATOM 860 CG TRP A 149 4.905 -2.833 -3.143 1.00 0.00 C ATOM 861 CD1 TRP A 149 5.352 -2.441 -4.371 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.620 -1.635 -2.417 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.343 -1.069 -4.458 1.00 0.00 N ATOM 864 CE2 TRP A 149 4.901 -0.552 -3.269 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.148 -1.374 -1.130 1.00 0.00 C ATOM 866 CZ2 TRP A 149 4.728 0.772 -2.873 1.00 0.00 C ATOM 867 CZ3 TRP A 149 3.977 -0.063 -0.738 1.00 0.00 C ATOM 868 CH2 TRP A 149 4.265 0.997 -1.605 1.00 0.00 C ATOM 0 H TRP A 149 6.665 -4.552 -4.221 1.00 0.00 H new ATOM 0 HA TRP A 149 6.504 -4.293 -1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.307 -4.850 -3.415 1.00 0.00 H new ATOM 0 HB3 TRP A 149 4.085 -4.242 -1.786 1.00 0.00 H new ATOM 0 HD1 TRP A 149 5.666 -3.110 -5.159 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.620 -0.525 -5.275 1.00 0.00 H new ATOM 0 HE3 TRP A 149 3.921 -2.184 -0.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 4.951 1.590 -3.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 3.614 0.150 0.257 1.00 0.00 H new ATOM 0 HH2 TRP A 149 4.119 2.012 -1.267 1.00 0.00 H new ATOM 879 N SER A 150 5.811 -6.487 -0.450 1.00 0.00 N ATOM 880 CA SER A 150 5.607 -7.808 0.131 1.00 0.00 C ATOM 881 C SER A 150 4.320 -8.452 -0.374 1.00 0.00 C ATOM 882 O SER A 150 4.342 -9.557 -0.916 1.00 0.00 O ATOM 883 CB SER A 150 5.573 -7.712 1.658 1.00 0.00 C ATOM 884 OG SER A 150 5.379 -8.988 2.246 1.00 0.00 O ATOM 0 H SER A 150 5.900 -5.737 0.235 1.00 0.00 H new ATOM 0 HA SER A 150 6.442 -8.437 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.506 -7.280 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 150 4.771 -7.041 1.965 1.00 0.00 H new ATOM 0 HG SER A 150 5.363 -8.899 3.222 1.00 0.00 H new ATOM 890 N THR A 151 3.196 -7.763 -0.186 1.00 0.00 N ATOM 891 CA THR A 151 1.904 -8.287 -0.616 1.00 0.00 C ATOM 892 C THR A 151 1.319 -7.483 -1.777 1.00 0.00 C ATOM 893 O THR A 151 1.370 -6.252 -1.779 1.00 0.00 O ATOM 894 CB THR A 151 0.894 -8.298 0.543 1.00 0.00 C ATOM 895 OG1 THR A 151 0.691 -6.965 1.028 1.00 0.00 O ATOM 896 CG2 THR A 151 1.383 -9.186 1.678 1.00 0.00 C ATOM 0 H THR A 151 3.155 -6.846 0.259 1.00 0.00 H new ATOM 0 HA THR A 151 2.083 -9.308 -0.952 1.00 0.00 H new ATOM 0 HB THR A 151 -0.049 -8.697 0.170 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.443 -6.996 1.976 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.652 -9.178 2.487 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.510 -10.205 1.314 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.337 -8.811 2.048 1.00 0.00 H new ATOM 904 N PRO A 152 0.747 -8.177 -2.780 1.00 0.00 N ATOM 905 CA PRO A 152 0.139 -7.531 -3.952 1.00 0.00 C ATOM 906 C PRO A 152 -0.981 -6.569 -3.566 1.00 0.00 C ATOM 907 O PRO A 152 -1.687 -6.788 -2.584 1.00 0.00 O ATOM 908 CB PRO A 152 -0.423 -8.704 -4.764 1.00 0.00 C ATOM 909 CG PRO A 152 0.339 -9.896 -4.297 1.00 0.00 C ATOM 910 CD PRO A 152 0.642 -9.645 -2.848 1.00 0.00 C ATOM 0 HA PRO A 152 0.862 -6.927 -4.500 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.492 -8.827 -4.592 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -0.289 -8.544 -5.834 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -0.245 -10.808 -4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.256 -10.024 -4.872 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -0.148 -10.023 -2.199 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.568 -10.130 -2.539 1.00 0.00 H new ATOM 918 N LYS A 153 -1.129 -5.500 -4.342 1.00 0.00 N ATOM 919 CA LYS A 153 -2.157 -4.494 -4.082 1.00 0.00 C ATOM 920 C LYS A 153 -3.541 -5.137 -3.949 1.00 0.00 C ATOM 921 O LYS A 153 -3.981 -5.866 -4.836 1.00 0.00 O ATOM 922 CB LYS A 153 -2.160 -3.461 -5.211 1.00 0.00 C ATOM 923 CG LYS A 153 -3.067 -2.270 -4.956 1.00 0.00 C ATOM 924 CD LYS A 153 -2.920 -1.224 -6.049 1.00 0.00 C ATOM 925 CE LYS A 153 -3.704 0.036 -5.725 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.541 1.077 -6.778 1.00 0.00 N ATOM 0 H LYS A 153 -0.549 -5.306 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 153 -1.927 -4.001 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.142 -3.103 -5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.469 -3.949 -6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.104 -2.603 -4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.827 -1.827 -3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.866 -0.975 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.267 -1.636 -6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.760 -0.211 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.372 0.434 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.454 2.012 -6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.685 0.878 -7.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.370 1.069 -7.406 1.00 0.00 H new ATOM 940 N PRO A 154 -4.245 -4.874 -2.829 1.00 0.00 N ATOM 941 CA PRO A 154 -5.581 -5.431 -2.581 1.00 0.00 C ATOM 942 C PRO A 154 -6.672 -4.719 -3.377 1.00 0.00 C ATOM 943 O PRO A 154 -6.405 -4.136 -4.427 1.00 0.00 O ATOM 944 CB PRO A 154 -5.776 -5.202 -1.083 1.00 0.00 C ATOM 945 CG PRO A 154 -4.980 -3.978 -0.788 1.00 0.00 C ATOM 946 CD PRO A 154 -3.793 -4.015 -1.714 1.00 0.00 C ATOM 0 HA PRO A 154 -5.652 -6.475 -2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -6.828 -5.061 -0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.424 -6.054 -0.502 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -5.574 -3.079 -0.952 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -4.660 -3.963 0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.524 -3.017 -2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -2.913 -4.429 -1.221 1.00 0.00 H new ATOM 954 N HIS A 155 -7.905 -4.771 -2.871 1.00 0.00 N ATOM 955 CA HIS A 155 -9.031 -4.128 -3.541 1.00 0.00 C ATOM 956 C HIS A 155 -10.127 -3.756 -2.546 1.00 0.00 C ATOM 957 O HIS A 155 -10.302 -4.420 -1.524 1.00 0.00 O ATOM 958 CB HIS A 155 -9.600 -5.045 -4.626 1.00 0.00 C ATOM 959 CG HIS A 155 -10.186 -6.316 -4.094 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.466 -7.223 -3.345 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.434 -6.831 -4.207 1.00 0.00 C ATOM 962 CE1 HIS A 155 -10.245 -8.241 -3.021 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.443 -8.025 -3.531 1.00 0.00 N ATOM 0 H HIS A 155 -8.146 -5.250 -2.003 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.664 -3.212 -4.004 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.368 -4.505 -5.179 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -8.809 -5.289 -5.335 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.266 -6.385 -4.731 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.951 -9.102 -2.439 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -12.247 -8.646 -3.438 1.00 0.00 H new ATOM 972 N CYS A 156 -10.870 -2.698 -2.857 1.00 0.00 N ATOM 973 CA CYS A 156 -11.959 -2.244 -1.997 1.00 0.00 C ATOM 974 C CYS A 156 -13.292 -2.785 -2.504 1.00 0.00 C ATOM 975 O CYS A 156 -13.566 -2.753 -3.704 1.00 0.00 O ATOM 976 CB CYS A 156 -12.003 -0.714 -1.950 1.00 0.00 C ATOM 977 SG CYS A 156 -10.494 0.059 -1.280 1.00 0.00 S ATOM 0 H CYS A 156 -10.738 -2.138 -3.699 1.00 0.00 H new ATOM 0 HA CYS A 156 -11.782 -2.621 -0.990 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -12.174 -0.336 -2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.855 -0.405 -1.345 1.00 0.00 H new ATOM 982 N GLN A 157 -14.115 -3.293 -1.590 1.00 0.00 N ATOM 983 CA GLN A 157 -15.410 -3.851 -1.963 1.00 0.00 C ATOM 984 C GLN A 157 -16.536 -3.172 -1.184 1.00 0.00 C ATOM 985 O GLN A 157 -16.457 -3.025 0.035 1.00 0.00 O ATOM 986 CB GLN A 157 -15.413 -5.362 -1.706 1.00 0.00 C ATOM 987 CG GLN A 157 -16.470 -6.125 -2.490 1.00 0.00 C ATOM 988 CD GLN A 157 -17.884 -5.758 -2.092 1.00 0.00 C ATOM 989 OE1 GLN A 157 -18.645 -5.228 -3.043 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -18.287 -5.949 -0.945 1.00 0.00 N flip ATOM 0 H GLN A 157 -13.909 -3.329 -0.592 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.580 -3.670 -3.024 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.431 -5.764 -1.956 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.568 -5.538 -0.642 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -16.336 -5.930 -3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -16.323 -7.195 -2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -17.666 -6.359 -0.248 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -19.242 -5.697 -0.692 1.00 0.00 H new ATOM 999 N VAL A 158 -17.578 -2.752 -1.897 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.717 -2.080 -1.273 1.00 0.00 C ATOM 1001 C VAL A 158 -19.596 -3.061 -0.502 1.00 0.00 C ATOM 1002 O VAL A 158 -20.004 -4.094 -1.029 1.00 0.00 O ATOM 1003 CB VAL A 158 -19.576 -1.344 -2.322 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.073 -2.310 -3.387 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -20.742 -0.629 -1.655 1.00 0.00 C ATOM 0 H VAL A 158 -17.658 -2.865 -2.908 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.305 -1.353 -0.573 1.00 0.00 H new ATOM 0 HB VAL A 158 -18.951 -0.596 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.676 -1.769 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.221 -2.768 -3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.678 -3.087 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -21.335 -0.116 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.366 -1.357 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -20.361 0.099 -0.938 1.00 0.00 H new ATOM 1015 N ASN A 159 -19.891 -2.725 0.751 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.727 -3.573 1.595 1.00 0.00 C ATOM 1017 C ASN A 159 -22.174 -3.578 1.107 1.00 0.00 C ATOM 1018 O ASN A 159 -23.065 -3.937 1.906 1.00 0.00 O ATOM 1019 CB ASN A 159 -20.666 -3.099 3.048 1.00 0.00 C ATOM 1020 CG ASN A 159 -21.100 -1.655 3.207 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -22.238 -1.299 2.901 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -20.190 -0.814 3.685 1.00 0.00 N ATOM 1023 OXT ASN A 159 -22.405 -3.223 -0.068 1.00 0.00 O ATOM 0 H ASN A 159 -19.564 -1.872 1.204 1.00 0.00 H new ATOM 0 HA ASN A 159 -20.343 -4.591 1.535 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.303 -3.736 3.662 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -19.648 -3.212 3.421 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -20.423 0.171 3.812 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -19.259 -1.153 3.926 1.00 0.00 H new