USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=16 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 :FLIP no HE2:sc= -2.85! F(o=-3.9,f=-3.3!) USER MOD Set 1.2: A 157 GLN :FLIP amide:sc= -0.0814 X(o=-3.4,f=-3.3) USER MOD Set 1.3: A 159 ASN : amide:sc= -0.392 K(o=-3.3,f=-4.5) USER MOD Set 2.1: A 139 SER OG : rot 56:sc= -1.54! USER MOD Set 2.2: A 151 THR OG1 : rot -156:sc= 1.83 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.344 USER MOD Single : A 103 TYR OH : rot 130:sc= -0.335 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.124 F(o=-2.4!,f=-0.12) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 140 SER OG : rot -160:sc= -0.432 USER MOD Single : A 142 SER OG : rot 40:sc= -2.61! USER MOD Single : A 145 SER OG : rot 23:sc= 0.179 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) 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 153 LYS NZ :NH3+ -129:sc= 0.62 (180deg=0) USER MOD Single : A 155 HIS : no HD1:sc= -2.73! K(o=-2.7!,f=-3.6) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 97 18.110 0.160 -6.475 1.00 0.00 N ATOM 80 CA ARG A 97 16.760 -0.113 -6.954 1.00 0.00 C ATOM 81 C ARG A 97 15.719 0.313 -5.922 1.00 0.00 C ATOM 82 O ARG A 97 15.781 -0.083 -4.758 1.00 0.00 O ATOM 83 CB ARG A 97 16.595 -1.603 -7.291 1.00 0.00 C ATOM 84 CG ARG A 97 16.691 -2.540 -6.091 1.00 0.00 C ATOM 85 CD ARG A 97 18.062 -2.495 -5.436 1.00 0.00 C ATOM 86 NE ARG A 97 19.130 -2.836 -6.372 1.00 0.00 N ATOM 87 CZ ARG A 97 20.423 -2.811 -6.059 1.00 0.00 C ATOM 88 NH1 ARG A 97 20.808 -2.454 -4.841 1.00 0.00 N ATOM 89 NH2 ARG A 97 21.333 -3.141 -6.966 1.00 0.00 N ATOM 0 HA ARG A 97 16.602 0.469 -7.862 1.00 0.00 H new ATOM 0 HB2 ARG A 97 15.628 -1.748 -7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.358 -1.884 -8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.931 -2.268 -5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.476 -3.560 -6.410 1.00 0.00 H new ATOM 0 HD2 ARG A 97 18.238 -1.498 -5.033 1.00 0.00 H new ATOM 0 HD3 ARG A 97 18.084 -3.187 -4.594 1.00 0.00 H new ATOM 0 HE ARG A 97 18.870 -3.109 -7.320 1.00 0.00 H new ATOM 0 HH11 ARG A 97 20.112 -2.198 -4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.800 -2.436 -4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 97 21.042 -3.414 -7.905 1.00 0.00 H new ATOM 0 HH22 ARG A 97 22.324 -3.121 -6.725 1.00 0.00 H new ATOM 103 N ILE A 98 14.767 1.128 -6.361 1.00 0.00 N ATOM 104 CA ILE A 98 13.713 1.620 -5.487 1.00 0.00 C ATOM 105 C ILE A 98 12.449 0.772 -5.608 1.00 0.00 C ATOM 106 O ILE A 98 12.097 0.313 -6.695 1.00 0.00 O ATOM 107 CB ILE A 98 13.360 3.098 -5.770 1.00 0.00 C ATOM 108 CG1 ILE A 98 12.782 3.276 -7.184 1.00 0.00 C ATOM 109 CG2 ILE A 98 14.587 3.981 -5.575 1.00 0.00 C ATOM 110 CD1 ILE A 98 13.783 3.069 -8.303 1.00 0.00 C ATOM 0 H ILE A 98 14.705 1.463 -7.323 1.00 0.00 H new ATOM 0 HA ILE A 98 14.103 1.546 -4.472 1.00 0.00 H new ATOM 0 HB ILE A 98 12.592 3.403 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 98 11.958 2.575 -7.317 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.364 4.279 -7.268 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.324 5.019 -5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.941 3.890 -4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.374 3.666 -6.260 1.00 0.00 H new ATOM 0 HD11 ILE A 98 13.290 3.214 -9.264 1.00 0.00 H new ATOM 0 HD12 ILE A 98 14.597 3.787 -8.201 1.00 0.00 H new ATOM 0 HD13 ILE A 98 14.184 2.057 -8.250 1.00 0.00 H new ATOM 122 N CYS A 99 11.772 0.570 -4.480 1.00 0.00 N ATOM 123 CA CYS A 99 10.544 -0.218 -4.446 1.00 0.00 C ATOM 124 C CYS A 99 9.547 0.271 -5.495 1.00 0.00 C ATOM 125 O CYS A 99 9.427 1.472 -5.736 1.00 0.00 O ATOM 126 CB CYS A 99 9.911 -0.151 -3.054 1.00 0.00 C ATOM 127 SG CYS A 99 10.925 -0.890 -1.735 1.00 0.00 S ATOM 0 H CYS A 99 12.055 0.943 -3.574 1.00 0.00 H new ATOM 0 HA CYS A 99 10.801 -1.252 -4.674 1.00 0.00 H new ATOM 0 HB2 CYS A 99 9.717 0.892 -2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.946 -0.657 -3.081 1.00 0.00 H new ATOM 132 N SER A 100 8.843 -0.672 -6.118 1.00 0.00 N ATOM 133 CA SER A 100 7.860 -0.351 -7.149 1.00 0.00 C ATOM 134 C SER A 100 6.927 0.771 -6.699 1.00 0.00 C ATOM 135 O SER A 100 6.368 0.727 -5.603 1.00 0.00 O ATOM 136 CB SER A 100 7.041 -1.594 -7.503 1.00 0.00 C ATOM 137 OG SER A 100 7.877 -2.644 -7.959 1.00 0.00 O ATOM 0 H SER A 100 8.936 -1.669 -5.925 1.00 0.00 H new ATOM 0 HA SER A 100 8.402 -0.010 -8.031 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.481 -1.925 -6.629 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.312 -1.345 -8.274 1.00 0.00 H new ATOM 0 HG SER A 100 7.329 -3.427 -8.177 1.00 0.00 H new ATOM 143 N LYS A 101 6.761 1.771 -7.557 1.00 0.00 N ATOM 144 CA LYS A 101 5.893 2.906 -7.259 1.00 0.00 C ATOM 145 C LYS A 101 4.426 2.547 -7.476 1.00 0.00 C ATOM 146 O LYS A 101 3.531 3.332 -7.161 1.00 0.00 O ATOM 147 CB LYS A 101 6.275 4.107 -8.126 1.00 0.00 C ATOM 148 CG LYS A 101 6.263 3.813 -9.617 1.00 0.00 C ATOM 149 CD LYS A 101 6.700 5.017 -10.426 1.00 0.00 C ATOM 150 CE LYS A 101 6.740 4.707 -11.913 1.00 0.00 C ATOM 151 NZ LYS A 101 7.192 5.879 -12.713 1.00 0.00 N ATOM 0 H LYS A 101 7.217 1.819 -8.468 1.00 0.00 H new ATOM 0 HA LYS A 101 6.028 3.168 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.586 4.926 -7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.270 4.448 -7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.924 2.973 -9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.260 3.514 -9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.016 5.846 -10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.687 5.340 -10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.410 3.866 -12.091 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.749 4.400 -12.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.206 5.626 -13.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.538 6.674 -12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.148 6.156 -12.413 1.00 0.00 H new ATOM 165 N SER A 102 4.187 1.357 -8.020 1.00 0.00 N ATOM 166 CA SER A 102 2.830 0.890 -8.285 1.00 0.00 C ATOM 167 C SER A 102 1.983 0.914 -7.016 1.00 0.00 C ATOM 168 O SER A 102 0.820 1.317 -7.040 1.00 0.00 O ATOM 169 CB SER A 102 2.863 -0.528 -8.860 1.00 0.00 C ATOM 170 OG SER A 102 3.487 -1.428 -7.961 1.00 0.00 O ATOM 0 H SER A 102 4.918 0.697 -8.286 1.00 0.00 H new ATOM 0 HA SER A 102 2.378 1.564 -9.012 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.847 -0.863 -9.068 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.399 -0.527 -9.809 1.00 0.00 H new ATOM 0 HG SER A 102 3.494 -2.327 -8.351 1.00 0.00 H new ATOM 176 N TYR A 103 2.575 0.477 -5.910 1.00 0.00 N ATOM 177 CA TYR A 103 1.881 0.442 -4.627 1.00 0.00 C ATOM 178 C TYR A 103 1.405 1.832 -4.212 1.00 0.00 C ATOM 179 O TYR A 103 0.348 1.975 -3.601 1.00 0.00 O ATOM 180 CB TYR A 103 2.789 -0.146 -3.542 1.00 0.00 C ATOM 181 CG TYR A 103 3.041 -1.634 -3.689 1.00 0.00 C ATOM 182 CD1 TYR A 103 3.400 -2.185 -4.914 1.00 0.00 C ATOM 183 CD2 TYR A 103 2.916 -2.486 -2.599 1.00 0.00 C ATOM 184 CE1 TYR A 103 3.627 -3.542 -5.046 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.141 -3.843 -2.724 1.00 0.00 C ATOM 186 CZ TYR A 103 3.497 -4.367 -3.950 1.00 0.00 C ATOM 187 OH TYR A 103 3.722 -5.718 -4.078 1.00 0.00 O ATOM 0 H TYR A 103 3.537 0.141 -5.876 1.00 0.00 H new ATOM 0 HA TYR A 103 1.005 -0.196 -4.744 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.745 0.378 -3.560 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.341 0.042 -2.566 1.00 0.00 H new ATOM 0 HD1 TYR A 103 3.503 -1.543 -5.776 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.638 -2.080 -1.637 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.905 -3.954 -6.005 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.039 -4.491 -1.866 1.00 0.00 H new ATOM 0 HH TYR A 103 4.339 -6.015 -3.377 1.00 0.00 H new ATOM 197 N LEU A 104 2.196 2.851 -4.538 1.00 0.00 N ATOM 198 CA LEU A 104 1.857 4.229 -4.187 1.00 0.00 C ATOM 199 C LEU A 104 0.474 4.619 -4.704 1.00 0.00 C ATOM 200 O LEU A 104 -0.330 5.191 -3.969 1.00 0.00 O ATOM 201 CB LEU A 104 2.908 5.193 -4.743 1.00 0.00 C ATOM 202 CG LEU A 104 4.323 5.006 -4.189 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.273 6.019 -4.809 1.00 0.00 C ATOM 204 CD2 LEU A 104 4.325 5.129 -2.673 1.00 0.00 C ATOM 0 H LEU A 104 3.076 2.750 -5.044 1.00 0.00 H new ATOM 0 HA LEU A 104 1.842 4.295 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.942 5.082 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.586 6.214 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 104 4.666 4.005 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.275 5.873 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.295 5.883 -5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.931 7.028 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.339 4.993 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.962 6.116 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.675 4.366 -2.245 1.00 0.00 H new ATOM 216 N THR A 105 0.202 4.314 -5.969 1.00 0.00 N ATOM 217 CA THR A 105 -1.088 4.644 -6.568 1.00 0.00 C ATOM 218 C THR A 105 -2.074 3.488 -6.438 1.00 0.00 C ATOM 219 O THR A 105 -1.753 2.345 -6.764 1.00 0.00 O ATOM 220 CB THR A 105 -0.940 5.014 -8.058 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.070 6.143 -8.199 1.00 0.00 O ATOM 222 CG2 THR A 105 -2.295 5.334 -8.674 1.00 0.00 C ATOM 0 H THR A 105 0.853 3.842 -6.597 1.00 0.00 H new ATOM 0 HA THR A 105 -1.473 5.506 -6.023 1.00 0.00 H new ATOM 0 HB THR A 105 -0.513 4.158 -8.580 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.020 6.370 -9.148 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.165 5.592 -9.725 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.947 4.464 -8.592 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.745 6.175 -8.147 1.00 0.00 H new ATOM 230 N LEU A 106 -3.278 3.797 -5.966 1.00 0.00 N ATOM 231 CA LEU A 106 -4.317 2.788 -5.798 1.00 0.00 C ATOM 232 C LEU A 106 -5.695 3.376 -6.082 1.00 0.00 C ATOM 233 O LEU A 106 -6.069 4.402 -5.516 1.00 0.00 O ATOM 234 CB LEU A 106 -4.280 2.212 -4.380 1.00 0.00 C ATOM 235 CG LEU A 106 -5.344 1.150 -4.078 1.00 0.00 C ATOM 236 CD1 LEU A 106 -5.322 0.047 -5.127 1.00 0.00 C ATOM 237 CD2 LEU A 106 -5.133 0.569 -2.689 1.00 0.00 C ATOM 0 H LEU A 106 -3.558 4.739 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.126 1.987 -6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.296 1.776 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.395 3.031 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.323 1.628 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.085 -0.695 -4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.523 0.475 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.342 -0.430 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.896 -0.183 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.146 0.109 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.205 1.364 -1.947 1.00 0.00 H new ATOM 249 N GLU A 107 -6.449 2.716 -6.956 1.00 0.00 N ATOM 250 CA GLU A 107 -7.788 3.176 -7.301 1.00 0.00 C ATOM 251 C GLU A 107 -8.714 3.058 -6.097 1.00 0.00 C ATOM 252 O GLU A 107 -8.765 2.015 -5.444 1.00 0.00 O ATOM 253 CB GLU A 107 -8.342 2.369 -8.477 1.00 0.00 C ATOM 254 CG GLU A 107 -9.720 2.821 -8.931 1.00 0.00 C ATOM 255 CD GLU A 107 -10.224 2.041 -10.131 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.553 2.074 -11.184 1.00 0.00 O ATOM 257 OE2 GLU A 107 -11.289 1.400 -10.017 1.00 0.00 O ATOM 0 H GLU A 107 -6.156 1.865 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.730 4.224 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.650 2.444 -9.316 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.389 1.317 -8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.425 2.709 -8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.687 3.882 -9.180 1.00 0.00 H new ATOM 264 N ASN A 108 -9.436 4.135 -5.800 1.00 0.00 N ATOM 265 CA ASN A 108 -10.351 4.153 -4.664 1.00 0.00 C ATOM 266 C ASN A 108 -9.604 3.826 -3.374 1.00 0.00 C ATOM 267 O ASN A 108 -10.101 3.087 -2.522 1.00 0.00 O ATOM 268 CB ASN A 108 -11.494 3.157 -4.881 1.00 0.00 C ATOM 269 CG ASN A 108 -12.354 3.495 -6.088 1.00 0.00 C ATOM 270 OD1 ASN A 108 -12.020 4.581 -6.780 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -13.313 2.786 -6.395 1.00 0.00 N flip ATOM 0 H ASN A 108 -9.405 5.006 -6.330 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.774 5.154 -4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -11.079 2.157 -5.006 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.121 3.132 -3.990 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.536 1.961 -5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.884 3.024 -7.206 1.00 0.00 H new ATOM 278 N GLY A 109 -8.404 4.384 -3.241 1.00 0.00 N ATOM 279 CA GLY A 109 -7.597 4.145 -2.060 1.00 0.00 C ATOM 280 C GLY A 109 -6.395 5.063 -1.981 1.00 0.00 C ATOM 281 O GLY A 109 -5.898 5.542 -3.001 1.00 0.00 O ATOM 0 H GLY A 109 -7.976 4.999 -3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.212 4.281 -1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.259 3.109 -2.059 1.00 0.00 H new ATOM 285 N LYS A 110 -5.932 5.307 -0.763 1.00 0.00 N ATOM 286 CA LYS A 110 -4.782 6.173 -0.534 1.00 0.00 C ATOM 287 C LYS A 110 -3.674 5.419 0.189 1.00 0.00 C ATOM 288 O LYS A 110 -3.940 4.577 1.047 1.00 0.00 O ATOM 289 CB LYS A 110 -5.188 7.404 0.280 1.00 0.00 C ATOM 290 CG LYS A 110 -6.265 8.249 -0.380 1.00 0.00 C ATOM 291 CD LYS A 110 -6.543 9.518 0.411 1.00 0.00 C ATOM 292 CE LYS A 110 -5.321 10.422 0.469 1.00 0.00 C ATOM 293 NZ LYS A 110 -5.580 11.660 1.253 1.00 0.00 N ATOM 0 H LYS A 110 -6.337 4.915 0.087 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.409 6.499 -1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.543 7.080 1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.307 8.023 0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.954 8.511 -1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.182 7.667 -0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.373 10.057 -0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.851 9.256 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.488 9.878 0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.020 10.690 -0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.722 12.248 1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.357 12.193 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.842 11.406 2.227 1.00 0.00 H new ATOM 307 N VAL A 111 -2.431 5.723 -0.166 1.00 0.00 N ATOM 308 CA VAL A 111 -1.282 5.070 0.448 1.00 0.00 C ATOM 309 C VAL A 111 -0.502 6.040 1.331 1.00 0.00 C ATOM 310 O VAL A 111 -0.321 7.206 0.984 1.00 0.00 O ATOM 311 CB VAL A 111 -0.336 4.484 -0.619 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.840 3.775 0.036 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.094 3.535 -1.533 1.00 0.00 C ATOM 0 H VAL A 111 -2.194 6.417 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.670 4.259 1.065 1.00 0.00 H new ATOM 0 HB VAL A 111 0.056 5.304 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.495 3.369 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.397 4.484 0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.472 2.964 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.413 3.129 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.513 2.720 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.900 4.075 -2.030 1.00 0.00 H new ATOM 323 N PHE A 112 -0.044 5.541 2.474 1.00 0.00 N ATOM 324 CA PHE A 112 0.723 6.348 3.418 1.00 0.00 C ATOM 325 C PHE A 112 2.195 5.962 3.370 1.00 0.00 C ATOM 326 O PHE A 112 2.536 4.835 3.015 1.00 0.00 O ATOM 327 CB PHE A 112 0.188 6.168 4.843 1.00 0.00 C ATOM 328 CG PHE A 112 -1.172 6.769 5.080 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.227 6.520 4.214 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.393 7.584 6.179 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.473 7.073 4.441 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.638 8.140 6.409 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.679 7.883 5.540 1.00 0.00 C ATOM 0 H PHE A 112 -0.191 4.576 2.771 1.00 0.00 H new ATOM 0 HA PHE A 112 0.618 7.395 3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 112 0.145 5.103 5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.895 6.614 5.542 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.073 5.887 3.353 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.583 7.787 6.864 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.286 6.872 3.759 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.796 8.775 7.268 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.653 8.315 5.719 1.00 0.00 H new ATOM 343 N LEU A 113 3.067 6.900 3.721 1.00 0.00 N ATOM 344 CA LEU A 113 4.502 6.647 3.709 1.00 0.00 C ATOM 345 C LEU A 113 5.212 7.547 4.715 1.00 0.00 C ATOM 346 O LEU A 113 4.936 8.744 4.797 1.00 0.00 O ATOM 347 CB LEU A 113 5.061 6.868 2.295 1.00 0.00 C ATOM 348 CG LEU A 113 6.510 6.415 2.065 1.00 0.00 C ATOM 349 CD1 LEU A 113 6.812 6.359 0.575 1.00 0.00 C ATOM 350 CD2 LEU A 113 7.493 7.345 2.761 1.00 0.00 C ATOM 0 H LEU A 113 2.806 7.841 4.017 1.00 0.00 H new ATOM 0 HA LEU A 113 4.679 5.611 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.420 6.343 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.992 7.930 2.061 1.00 0.00 H new ATOM 0 HG LEU A 113 6.624 5.418 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.842 6.037 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.136 5.652 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.674 7.348 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.511 6.999 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.378 8.355 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.295 7.347 3.833 1.00 0.00 H new ATOM 362 N THR A 114 6.127 6.958 5.480 1.00 0.00 N ATOM 363 CA THR A 114 6.879 7.700 6.484 1.00 0.00 C ATOM 364 C THR A 114 8.201 7.006 6.792 1.00 0.00 C ATOM 365 O THR A 114 8.232 5.822 7.130 1.00 0.00 O ATOM 366 CB THR A 114 6.074 7.853 7.789 1.00 0.00 C ATOM 367 OG1 THR A 114 4.843 8.540 7.528 1.00 0.00 O ATOM 368 CG2 THR A 114 6.872 8.620 8.834 1.00 0.00 C ATOM 0 H THR A 114 6.365 5.968 5.423 1.00 0.00 H new ATOM 0 HA THR A 114 7.075 8.690 6.072 1.00 0.00 H new ATOM 0 HB THR A 114 5.862 6.856 8.175 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.336 8.632 8.362 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.282 8.714 9.745 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.795 8.083 9.053 1.00 0.00 H new ATOM 0 HG23 THR A 114 7.112 9.613 8.453 1.00 0.00 H new ATOM 376 N GLY A 115 9.290 7.754 6.666 1.00 0.00 N ATOM 377 CA GLY A 115 10.607 7.207 6.923 1.00 0.00 C ATOM 378 C GLY A 115 11.704 8.109 6.397 1.00 0.00 C ATOM 379 O GLY A 115 11.749 9.295 6.724 1.00 0.00 O ATOM 0 H GLY A 115 9.283 8.736 6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.738 7.063 7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.690 6.225 6.457 1.00 0.00 H new ATOM 383 N GLY A 116 12.582 7.549 5.573 1.00 0.00 N ATOM 384 CA GLY A 116 13.665 8.326 5.001 1.00 0.00 C ATOM 385 C GLY A 116 13.159 9.393 4.048 1.00 0.00 C ATOM 386 O GLY A 116 12.313 10.210 4.409 1.00 0.00 O ATOM 0 H GLY A 116 12.563 6.569 5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.236 8.796 5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 116 14.347 7.661 4.471 1.00 0.00 H new ATOM 390 N ASP A 117 13.675 9.380 2.823 1.00 0.00 N ATOM 391 CA ASP A 117 13.272 10.346 1.809 1.00 0.00 C ATOM 392 C ASP A 117 13.900 9.988 0.472 1.00 0.00 C ATOM 393 O ASP A 117 15.106 9.769 0.391 1.00 0.00 O ATOM 394 CB ASP A 117 13.681 11.762 2.221 1.00 0.00 C ATOM 395 CG ASP A 117 15.178 11.901 2.409 1.00 0.00 C ATOM 396 OD1 ASP A 117 15.739 11.185 3.266 1.00 0.00 O ATOM 397 OD2 ASP A 117 15.792 12.726 1.699 1.00 0.00 O ATOM 0 H ASP A 117 14.375 8.708 2.509 1.00 0.00 H new ATOM 0 HA ASP A 117 12.187 10.316 1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.346 12.469 1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.175 12.027 3.149 1.00 0.00 H new ATOM 402 N LEU A 118 13.071 9.919 -0.567 1.00 0.00 N ATOM 403 CA LEU A 118 13.541 9.568 -1.903 1.00 0.00 C ATOM 404 C LEU A 118 14.905 10.197 -2.196 1.00 0.00 C ATOM 405 O LEU A 118 15.151 11.354 -1.855 1.00 0.00 O ATOM 406 CB LEU A 118 12.500 9.979 -2.956 1.00 0.00 C ATOM 407 CG LEU A 118 12.194 11.477 -3.051 1.00 0.00 C ATOM 408 CD1 LEU A 118 13.296 12.195 -3.811 1.00 0.00 C ATOM 409 CD2 LEU A 118 10.856 11.700 -3.740 1.00 0.00 C ATOM 0 H LEU A 118 12.069 10.102 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 118 13.668 8.486 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 118 12.845 9.637 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 118 11.570 9.451 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 118 12.142 11.883 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.064 13.258 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.245 12.059 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.371 11.784 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 118 10.652 12.769 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 118 10.890 11.280 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 118 10.067 11.211 -3.169 1.00 0.00 H new ATOM 421 N PRO A 119 15.819 9.432 -2.825 1.00 0.00 N ATOM 422 CA PRO A 119 15.565 8.052 -3.244 1.00 0.00 C ATOM 423 C PRO A 119 15.834 7.029 -2.137 1.00 0.00 C ATOM 424 O PRO A 119 16.292 5.919 -2.409 1.00 0.00 O ATOM 425 CB PRO A 119 16.557 7.872 -4.387 1.00 0.00 C ATOM 426 CG PRO A 119 17.725 8.719 -4.006 1.00 0.00 C ATOM 427 CD PRO A 119 17.180 9.867 -3.188 1.00 0.00 C ATOM 0 HA PRO A 119 14.522 7.889 -3.514 1.00 0.00 H new ATOM 0 HB2 PRO A 119 16.845 6.827 -4.501 1.00 0.00 H new ATOM 0 HB3 PRO A 119 16.129 8.191 -5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.449 8.143 -3.430 1.00 0.00 H new ATOM 0 HG3 PRO A 119 18.242 9.086 -4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.789 10.051 -2.303 1.00 0.00 H new ATOM 0 HD3 PRO A 119 17.163 10.793 -3.762 1.00 0.00 H new ATOM 435 N ALA A 120 15.537 7.399 -0.893 1.00 0.00 N ATOM 436 CA ALA A 120 15.741 6.503 0.240 1.00 0.00 C ATOM 437 C ALA A 120 14.487 5.677 0.504 1.00 0.00 C ATOM 438 O ALA A 120 14.039 5.551 1.645 1.00 0.00 O ATOM 439 CB ALA A 120 16.134 7.290 1.482 1.00 0.00 C ATOM 0 H ALA A 120 15.155 8.312 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 120 16.555 5.821 -0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 120 16.282 6.604 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.059 7.833 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.343 7.997 1.730 1.00 0.00 H new ATOM 445 N LEU A 121 13.924 5.123 -0.563 1.00 0.00 N ATOM 446 CA LEU A 121 12.715 4.311 -0.465 1.00 0.00 C ATOM 447 C LEU A 121 12.891 3.172 0.533 1.00 0.00 C ATOM 448 O LEU A 121 11.974 2.854 1.290 1.00 0.00 O ATOM 449 CB LEU A 121 12.341 3.744 -1.840 1.00 0.00 C ATOM 450 CG LEU A 121 11.762 4.752 -2.840 1.00 0.00 C ATOM 451 CD1 LEU A 121 10.476 5.358 -2.301 1.00 0.00 C ATOM 452 CD2 LEU A 121 12.775 5.841 -3.166 1.00 0.00 C ATOM 0 H LEU A 121 14.287 5.221 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 121 11.911 4.955 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 121 13.230 3.293 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.615 2.944 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 121 11.532 4.220 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.079 6.071 -3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 121 9.745 4.568 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 121 10.681 5.870 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.339 6.542 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.046 6.371 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.667 5.390 -3.602 1.00 0.00 H new ATOM 464 N ASP A 122 14.070 2.558 0.527 1.00 0.00 N ATOM 465 CA ASP A 122 14.356 1.448 1.428 1.00 0.00 C ATOM 466 C ASP A 122 14.257 1.887 2.885 1.00 0.00 C ATOM 467 O ASP A 122 14.678 2.986 3.244 1.00 0.00 O ATOM 468 CB ASP A 122 15.749 0.882 1.144 1.00 0.00 C ATOM 469 CG ASP A 122 16.100 -0.278 2.055 1.00 0.00 C ATOM 470 OD1 ASP A 122 15.363 -1.286 2.043 1.00 0.00 O ATOM 471 OD2 ASP A 122 17.113 -0.179 2.778 1.00 0.00 O ATOM 0 H ASP A 122 14.841 2.810 -0.091 1.00 0.00 H new ATOM 0 HA ASP A 122 13.613 0.670 1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.800 0.553 0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.490 1.672 1.265 1.00 0.00 H new ATOM 476 N GLY A 123 13.688 1.019 3.718 1.00 0.00 N ATOM 477 CA GLY A 123 13.530 1.333 5.127 1.00 0.00 C ATOM 478 C GLY A 123 12.197 1.993 5.424 1.00 0.00 C ATOM 479 O GLY A 123 11.597 1.749 6.470 1.00 0.00 O ATOM 0 H GLY A 123 13.334 0.103 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.618 0.418 5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.338 1.993 5.443 1.00 0.00 H new ATOM 483 N ALA A 124 11.736 2.832 4.501 1.00 0.00 N ATOM 484 CA ALA A 124 10.467 3.534 4.662 1.00 0.00 C ATOM 485 C ALA A 124 9.303 2.558 4.817 1.00 0.00 C ATOM 486 O ALA A 124 9.264 1.511 4.170 1.00 0.00 O ATOM 487 CB ALA A 124 10.225 4.459 3.477 1.00 0.00 C ATOM 0 H ALA A 124 12.225 3.043 3.631 1.00 0.00 H new ATOM 0 HA ALA A 124 10.527 4.128 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.275 4.977 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.032 5.189 3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.195 3.873 2.558 1.00 0.00 H new ATOM 493 N ARG A 125 8.353 2.916 5.681 1.00 0.00 N ATOM 494 CA ARG A 125 7.180 2.082 5.924 1.00 0.00 C ATOM 495 C ARG A 125 5.938 2.728 5.316 1.00 0.00 C ATOM 496 O ARG A 125 5.771 3.945 5.381 1.00 0.00 O ATOM 497 CB ARG A 125 6.967 1.865 7.428 1.00 0.00 C ATOM 498 CG ARG A 125 8.167 1.263 8.148 1.00 0.00 C ATOM 499 CD ARG A 125 9.278 2.284 8.342 1.00 0.00 C ATOM 500 NE ARG A 125 8.844 3.420 9.151 1.00 0.00 N ATOM 501 CZ ARG A 125 8.476 3.324 10.427 1.00 0.00 C ATOM 502 NH1 ARG A 125 8.523 2.154 11.049 1.00 0.00 N ATOM 503 NH2 ARG A 125 8.069 4.402 11.083 1.00 0.00 N ATOM 0 H ARG A 125 8.375 3.779 6.224 1.00 0.00 H new ATOM 0 HA ARG A 125 7.349 1.114 5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.722 2.821 7.891 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.106 1.212 7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 125 7.853 0.878 9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 125 8.547 0.416 7.577 1.00 0.00 H new ATOM 0 HD2 ARG A 125 10.132 1.804 8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 125 9.616 2.640 7.369 1.00 0.00 H new ATOM 0 HE ARG A 125 8.822 4.341 8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 125 8.842 1.324 10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 125 8.240 2.084 12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 125 8.038 5.305 10.610 1.00 0.00 H new ATOM 0 HH22 ARG A 125 7.787 4.328 12.060 1.00 0.00 H new ATOM 517 N VAL A 126 5.076 1.912 4.716 1.00 0.00 N ATOM 518 CA VAL A 126 3.862 2.424 4.088 1.00 0.00 C ATOM 519 C VAL A 126 2.607 1.744 4.632 1.00 0.00 C ATOM 520 O VAL A 126 2.607 0.543 4.906 1.00 0.00 O ATOM 521 CB VAL A 126 3.906 2.240 2.560 1.00 0.00 C ATOM 522 CG1 VAL A 126 5.134 2.922 1.977 1.00 0.00 C ATOM 523 CG2 VAL A 126 3.879 0.764 2.197 1.00 0.00 C ATOM 0 H VAL A 126 5.194 0.901 4.651 1.00 0.00 H new ATOM 0 HA VAL A 126 3.817 3.486 4.327 1.00 0.00 H new ATOM 0 HB VAL A 126 3.021 2.709 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.149 2.782 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.101 3.987 2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.033 2.486 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.911 0.655 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.742 0.265 2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.964 0.312 2.580 1.00 0.00 H new ATOM 533 N GLU A 127 1.537 2.524 4.775 1.00 0.00 N ATOM 534 CA GLU A 127 0.269 2.004 5.276 1.00 0.00 C ATOM 535 C GLU A 127 -0.848 2.226 4.260 1.00 0.00 C ATOM 536 O GLU A 127 -1.156 3.362 3.897 1.00 0.00 O ATOM 537 CB GLU A 127 -0.091 2.674 6.603 1.00 0.00 C ATOM 538 CG GLU A 127 0.932 2.439 7.701 1.00 0.00 C ATOM 539 CD GLU A 127 1.021 0.985 8.121 1.00 0.00 C ATOM 540 OE1 GLU A 127 1.372 0.140 7.271 1.00 0.00 O ATOM 541 OE2 GLU A 127 0.742 0.690 9.302 1.00 0.00 O ATOM 0 H GLU A 127 1.524 3.519 4.550 1.00 0.00 H new ATOM 0 HA GLU A 127 0.381 0.932 5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.198 3.747 6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.060 2.304 6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.911 2.773 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.674 3.047 8.568 1.00 0.00 H new ATOM 548 N PHE A 128 -1.450 1.132 3.809 1.00 0.00 N ATOM 549 CA PHE A 128 -2.535 1.192 2.832 1.00 0.00 C ATOM 550 C PHE A 128 -3.884 1.421 3.510 1.00 0.00 C ATOM 551 O PHE A 128 -4.082 1.046 4.666 1.00 0.00 O ATOM 552 CB PHE A 128 -2.583 -0.093 2.001 1.00 0.00 C ATOM 553 CG PHE A 128 -1.414 -0.262 1.070 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.113 -0.238 1.546 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.622 -0.442 -0.289 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.958 -0.392 0.686 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.555 -0.595 -1.153 1.00 0.00 C ATOM 558 CZ PHE A 128 0.737 -0.570 -0.665 1.00 0.00 C ATOM 0 H PHE A 128 -1.205 0.187 4.105 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.336 2.037 2.173 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.624 -0.948 2.675 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.504 -0.102 1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.066 -0.097 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.630 -0.463 -0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.967 -0.373 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.731 -0.734 -2.209 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.572 -0.689 -1.339 1.00 0.00 H new ATOM 568 N ARG A 129 -4.810 2.038 2.778 1.00 0.00 N ATOM 569 CA ARG A 129 -6.144 2.315 3.300 1.00 0.00 C ATOM 570 C ARG A 129 -7.115 2.641 2.168 1.00 0.00 C ATOM 571 O ARG A 129 -6.862 3.530 1.356 1.00 0.00 O ATOM 572 CB ARG A 129 -6.093 3.481 4.292 1.00 0.00 C ATOM 573 CG ARG A 129 -7.444 3.848 4.874 1.00 0.00 C ATOM 574 CD ARG A 129 -7.330 4.993 5.867 1.00 0.00 C ATOM 575 NE ARG A 129 -8.623 5.353 6.446 1.00 0.00 N ATOM 576 CZ ARG A 129 -9.635 5.855 5.744 1.00 0.00 C ATOM 577 NH1 ARG A 129 -9.504 6.074 4.442 1.00 0.00 N ATOM 578 NH2 ARG A 129 -10.781 6.144 6.346 1.00 0.00 N ATOM 0 H ARG A 129 -4.659 2.355 1.820 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.499 1.422 3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.415 3.224 5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.674 4.354 3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -8.124 4.129 4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.877 2.978 5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.642 4.713 6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.902 5.863 5.368 1.00 0.00 H new ATOM 0 HE ARG A 129 -8.757 5.211 7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -8.624 5.857 3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -10.283 6.459 3.909 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -10.886 5.981 7.347 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -11.557 6.529 5.808 1.00 0.00 H new ATOM 592 N CYS A 130 -8.227 1.911 2.122 1.00 0.00 N ATOM 593 CA CYS A 130 -9.241 2.119 1.091 1.00 0.00 C ATOM 594 C CYS A 130 -10.270 3.157 1.525 1.00 0.00 C ATOM 595 O CYS A 130 -10.666 3.203 2.691 1.00 0.00 O ATOM 596 CB CYS A 130 -9.948 0.802 0.763 1.00 0.00 C ATOM 597 SG CYS A 130 -8.876 -0.455 -0.003 1.00 0.00 S ATOM 0 H CYS A 130 -8.449 1.170 2.787 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.733 2.489 0.200 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.370 0.392 1.680 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.782 1.008 0.092 1.00 0.00 H new ATOM 602 N ASP A 131 -10.710 3.979 0.576 1.00 0.00 N ATOM 603 CA ASP A 131 -11.706 5.009 0.852 1.00 0.00 C ATOM 604 C ASP A 131 -12.959 4.392 1.471 1.00 0.00 C ATOM 605 O ASP A 131 -13.208 3.197 1.315 1.00 0.00 O ATOM 606 CB ASP A 131 -12.075 5.751 -0.436 1.00 0.00 C ATOM 607 CG ASP A 131 -10.919 6.557 -0.993 1.00 0.00 C ATOM 608 OD1 ASP A 131 -9.870 5.955 -1.301 1.00 0.00 O ATOM 609 OD2 ASP A 131 -11.064 7.791 -1.123 1.00 0.00 O ATOM 0 H ASP A 131 -10.391 3.951 -0.393 1.00 0.00 H new ATOM 0 HA ASP A 131 -11.277 5.718 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.405 5.031 -1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.916 6.416 -0.240 1.00 0.00 H new ATOM 614 N PRO A 132 -13.767 5.201 2.185 1.00 0.00 N ATOM 615 CA PRO A 132 -14.997 4.737 2.827 1.00 0.00 C ATOM 616 C PRO A 132 -15.806 3.813 1.922 1.00 0.00 C ATOM 617 O PRO A 132 -15.679 3.865 0.698 1.00 0.00 O ATOM 618 CB PRO A 132 -15.778 6.030 3.118 1.00 0.00 C ATOM 619 CG PRO A 132 -14.961 7.146 2.543 1.00 0.00 C ATOM 620 CD PRO A 132 -13.557 6.631 2.423 1.00 0.00 C ATOM 0 HA PRO A 132 -14.788 4.151 3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.768 5.998 2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.923 6.165 4.190 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.348 7.448 1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.998 8.025 3.187 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -13.019 7.105 1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.979 6.812 3.329 1.00 0.00 H new ATOM 628 N ASP A 133 -16.620 2.955 2.541 1.00 0.00 N ATOM 629 CA ASP A 133 -17.446 1.991 1.814 1.00 0.00 C ATOM 630 C ASP A 133 -16.614 0.785 1.384 1.00 0.00 C ATOM 631 O ASP A 133 -17.101 -0.345 1.386 1.00 0.00 O ATOM 632 CB ASP A 133 -18.116 2.635 0.596 1.00 0.00 C ATOM 633 CG ASP A 133 -19.060 3.758 0.981 1.00 0.00 C ATOM 634 OD1 ASP A 133 -18.593 4.747 1.582 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.268 3.646 0.680 1.00 0.00 O ATOM 0 H ASP A 133 -16.724 2.909 3.555 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.231 1.653 2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.349 3.023 -0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.667 1.874 0.043 1.00 0.00 H new ATOM 640 N PHE A 134 -15.354 1.026 1.027 1.00 0.00 N ATOM 641 CA PHE A 134 -14.459 -0.049 0.610 1.00 0.00 C ATOM 642 C PHE A 134 -13.397 -0.306 1.675 1.00 0.00 C ATOM 643 O PHE A 134 -12.739 0.625 2.141 1.00 0.00 O ATOM 644 CB PHE A 134 -13.784 0.294 -0.724 1.00 0.00 C ATOM 645 CG PHE A 134 -14.742 0.489 -1.867 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.646 1.541 -1.863 1.00 0.00 C ATOM 647 CD2 PHE A 134 -14.731 -0.375 -2.949 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.522 1.724 -2.918 1.00 0.00 C ATOM 649 CE2 PHE A 134 -15.603 -0.197 -4.006 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.500 0.853 -3.990 1.00 0.00 C ATOM 0 H PHE A 134 -14.931 1.954 1.018 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.055 -0.952 0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -13.196 1.203 -0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.086 -0.503 -0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.666 2.225 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.032 -1.198 -2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.222 2.546 -2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -15.583 -0.878 -4.844 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.183 0.993 -4.815 1.00 0.00 H new ATOM 660 N HIS A 135 -13.239 -1.568 2.066 1.00 0.00 N ATOM 661 CA HIS A 135 -12.259 -1.935 3.086 1.00 0.00 C ATOM 662 C HIS A 135 -11.009 -2.566 2.473 1.00 0.00 C ATOM 663 O HIS A 135 -11.085 -3.282 1.471 1.00 0.00 O ATOM 664 CB HIS A 135 -12.882 -2.882 4.120 1.00 0.00 C ATOM 665 CG HIS A 135 -13.431 -4.160 3.555 1.00 0.00 C ATOM 666 ND1 HIS A 135 -13.504 -4.616 2.280 1.00 0.00 N flip ATOM 667 CD2 HIS A 135 -13.994 -5.144 4.341 1.00 0.00 C flip ATOM 668 CE1 HIS A 135 -14.103 -5.851 2.323 1.00 0.00 C flip ATOM 669 NE2 HIS A 135 -14.389 -6.147 3.576 1.00 0.00 N flip ATOM 0 H HIS A 135 -13.775 -2.352 1.694 1.00 0.00 H new ATOM 0 HA HIS A 135 -11.954 -1.017 3.587 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.128 -3.127 4.868 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -13.685 -2.356 4.637 1.00 0.00 H new ATOM 0 HD1 HIS A 135 -13.175 -4.132 1.445 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -14.096 -5.101 5.415 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -14.307 -6.479 1.468 1.00 0.00 H new ATOM 678 N LEU A 136 -9.859 -2.293 3.087 1.00 0.00 N ATOM 679 CA LEU A 136 -8.583 -2.832 2.620 1.00 0.00 C ATOM 680 C LEU A 136 -8.468 -4.307 3.003 1.00 0.00 C ATOM 681 O LEU A 136 -8.756 -4.682 4.139 1.00 0.00 O ATOM 682 CB LEU A 136 -7.425 -2.025 3.228 1.00 0.00 C ATOM 683 CG LEU A 136 -6.044 -2.245 2.596 1.00 0.00 C ATOM 684 CD1 LEU A 136 -5.531 -3.650 2.869 1.00 0.00 C ATOM 685 CD2 LEU A 136 -6.093 -1.976 1.100 1.00 0.00 C ATOM 0 H LEU A 136 -9.785 -1.699 3.913 1.00 0.00 H new ATOM 0 HA LEU A 136 -8.533 -2.752 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.670 -0.965 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.359 -2.266 4.289 1.00 0.00 H new ATOM 0 HG LEU A 136 -5.350 -1.540 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -4.551 -3.775 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.449 -3.805 3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -6.225 -4.379 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.105 -2.137 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -6.808 -2.653 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.401 -0.945 0.926 1.00 0.00 H new ATOM 697 N VAL A 137 -8.065 -5.142 2.048 1.00 0.00 N ATOM 698 CA VAL A 137 -7.939 -6.574 2.301 1.00 0.00 C ATOM 699 C VAL A 137 -6.643 -7.156 1.728 1.00 0.00 C ATOM 700 O VAL A 137 -6.666 -7.915 0.758 1.00 0.00 O ATOM 701 CB VAL A 137 -9.151 -7.337 1.726 1.00 0.00 C ATOM 702 CG1 VAL A 137 -9.298 -7.081 0.235 1.00 0.00 C ATOM 703 CG2 VAL A 137 -9.047 -8.828 2.018 1.00 0.00 C ATOM 0 H VAL A 137 -7.822 -4.855 1.100 1.00 0.00 H new ATOM 0 HA VAL A 137 -7.909 -6.700 3.383 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.048 -6.962 2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.159 -7.630 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.442 -6.015 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -8.398 -7.414 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -9.914 -9.342 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -8.138 -9.225 1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -9.015 -8.986 3.096 1.00 0.00 H new ATOM 713 N GLY A 138 -5.507 -6.810 2.328 1.00 0.00 N ATOM 714 CA GLY A 138 -4.246 -7.334 1.839 1.00 0.00 C ATOM 715 C GLY A 138 -3.038 -6.690 2.484 1.00 0.00 C ATOM 716 O GLY A 138 -2.891 -6.714 3.705 1.00 0.00 O ATOM 0 H GLY A 138 -5.438 -6.186 3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.214 -8.409 2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.194 -7.188 0.760 1.00 0.00 H new ATOM 720 N SER A 139 -2.165 -6.131 1.649 1.00 0.00 N ATOM 721 CA SER A 139 -0.945 -5.482 2.116 1.00 0.00 C ATOM 722 C SER A 139 -1.240 -4.156 2.813 1.00 0.00 C ATOM 723 O SER A 139 -0.686 -3.118 2.450 1.00 0.00 O ATOM 724 CB SER A 139 0.012 -5.252 0.945 1.00 0.00 C ATOM 725 OG SER A 139 1.115 -4.450 1.327 1.00 0.00 O ATOM 0 H SER A 139 -2.283 -6.116 0.636 1.00 0.00 H new ATOM 0 HA SER A 139 -0.478 -6.146 2.844 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.370 -6.212 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 139 -0.523 -4.771 0.126 1.00 0.00 H new ATOM 0 HG SER A 139 1.572 -4.864 2.089 1.00 0.00 H new ATOM 731 N SER A 140 -2.098 -4.196 3.825 1.00 0.00 N ATOM 732 CA SER A 140 -2.438 -3.006 4.579 1.00 0.00 C ATOM 733 C SER A 140 -1.164 -2.380 5.135 1.00 0.00 C ATOM 734 O SER A 140 -1.115 -1.189 5.442 1.00 0.00 O ATOM 735 CB SER A 140 -3.400 -3.371 5.706 1.00 0.00 C ATOM 736 OG SER A 140 -2.779 -4.225 6.650 1.00 0.00 O ATOM 0 H SER A 140 -2.570 -5.044 4.139 1.00 0.00 H new ATOM 0 HA SER A 140 -2.929 -2.282 3.929 1.00 0.00 H new ATOM 0 HB2 SER A 140 -3.744 -2.464 6.203 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.281 -3.861 5.292 1.00 0.00 H new ATOM 0 HG SER A 140 -3.466 -4.693 7.169 1.00 0.00 H new ATOM 742 N ARG A 141 -0.129 -3.209 5.240 1.00 0.00 N ATOM 743 CA ARG A 141 1.174 -2.782 5.732 1.00 0.00 C ATOM 744 C ARG A 141 2.274 -3.457 4.914 1.00 0.00 C ATOM 745 O ARG A 141 2.281 -4.679 4.770 1.00 0.00 O ATOM 746 CB ARG A 141 1.322 -3.135 7.214 1.00 0.00 C ATOM 747 CG ARG A 141 0.237 -2.535 8.094 1.00 0.00 C ATOM 748 CD ARG A 141 0.434 -2.900 9.557 1.00 0.00 C ATOM 749 NE ARG A 141 0.313 -4.337 9.787 1.00 0.00 N ATOM 750 CZ ARG A 141 -0.817 -5.020 9.628 1.00 0.00 C ATOM 751 NH1 ARG A 141 -1.928 -4.397 9.259 1.00 0.00 N ATOM 752 NH2 ARG A 141 -0.839 -6.328 9.845 1.00 0.00 N ATOM 0 H ARG A 141 -0.172 -4.196 4.986 1.00 0.00 H new ATOM 0 HA ARG A 141 1.261 -1.701 5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 141 1.309 -4.219 7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 141 2.295 -2.791 7.565 1.00 0.00 H new ATOM 0 HG2 ARG A 141 0.239 -1.450 7.986 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -0.739 -2.887 7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 141 1.417 -2.563 9.885 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.302 -2.373 10.164 1.00 0.00 H new ATOM 0 HE ARG A 141 1.144 -4.847 10.087 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -1.918 -3.390 9.096 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -2.793 -4.925 9.138 1.00 0.00 H new ATOM 0 HH21 ARG A 141 0.011 -6.811 10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.706 -6.851 9.723 1.00 0.00 H new ATOM 766 N SER A 142 3.187 -2.661 4.365 1.00 0.00 N ATOM 767 CA SER A 142 4.273 -3.198 3.542 1.00 0.00 C ATOM 768 C SER A 142 5.574 -2.432 3.767 1.00 0.00 C ATOM 769 O SER A 142 5.588 -1.200 3.790 1.00 0.00 O ATOM 770 CB SER A 142 3.887 -3.126 2.063 1.00 0.00 C ATOM 771 OG SER A 142 4.918 -3.643 1.242 1.00 0.00 O ATOM 0 H SER A 142 3.199 -1.647 4.473 1.00 0.00 H new ATOM 0 HA SER A 142 4.433 -4.236 3.834 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.968 -3.688 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 142 3.682 -2.092 1.787 1.00 0.00 H new ATOM 0 HG SER A 142 5.305 -4.438 1.665 1.00 0.00 H new ATOM 777 N VAL A 143 6.666 -3.173 3.926 1.00 0.00 N ATOM 778 CA VAL A 143 7.978 -2.571 4.139 1.00 0.00 C ATOM 779 C VAL A 143 8.763 -2.515 2.831 1.00 0.00 C ATOM 780 O VAL A 143 8.809 -3.493 2.085 1.00 0.00 O ATOM 781 CB VAL A 143 8.794 -3.358 5.184 1.00 0.00 C ATOM 782 CG1 VAL A 143 10.125 -2.671 5.452 1.00 0.00 C ATOM 783 CG2 VAL A 143 8.001 -3.514 6.473 1.00 0.00 C ATOM 0 H VAL A 143 6.668 -4.193 3.911 1.00 0.00 H new ATOM 0 HA VAL A 143 7.813 -1.559 4.510 1.00 0.00 H new ATOM 0 HB VAL A 143 8.997 -4.352 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 143 10.686 -3.241 6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 143 10.698 -2.614 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.945 -1.664 5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 143 8.593 -4.072 7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 143 7.766 -2.529 6.877 1.00 0.00 H new ATOM 0 HG23 VAL A 143 7.076 -4.053 6.268 1.00 0.00 H new ATOM 793 N CYS A 144 9.377 -1.367 2.557 1.00 0.00 N ATOM 794 CA CYS A 144 10.156 -1.189 1.333 1.00 0.00 C ATOM 795 C CYS A 144 11.540 -1.827 1.458 1.00 0.00 C ATOM 796 O CYS A 144 12.552 -1.210 1.125 1.00 0.00 O ATOM 797 CB CYS A 144 10.285 0.301 1.001 1.00 0.00 C ATOM 798 SG CYS A 144 11.289 0.664 -0.481 1.00 0.00 S ATOM 0 H CYS A 144 9.351 -0.547 3.164 1.00 0.00 H new ATOM 0 HA CYS A 144 9.629 -1.690 0.521 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.287 0.716 0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.725 0.814 1.856 1.00 0.00 H new ATOM 803 N SER A 145 11.582 -3.068 1.931 1.00 0.00 N ATOM 804 CA SER A 145 12.848 -3.778 2.081 1.00 0.00 C ATOM 805 C SER A 145 13.479 -4.017 0.714 1.00 0.00 C ATOM 806 O SER A 145 12.835 -4.553 -0.187 1.00 0.00 O ATOM 807 CB SER A 145 12.631 -5.110 2.802 1.00 0.00 C ATOM 808 OG SER A 145 11.756 -5.951 2.070 1.00 0.00 O ATOM 0 H SER A 145 10.760 -3.601 2.216 1.00 0.00 H new ATOM 0 HA SER A 145 13.522 -3.166 2.679 1.00 0.00 H new ATOM 0 HB2 SER A 145 13.589 -5.611 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 145 12.219 -4.927 3.794 1.00 0.00 H new ATOM 0 HG SER A 145 11.765 -5.690 1.125 1.00 0.00 H new ATOM 814 N GLN A 146 14.736 -3.609 0.560 1.00 0.00 N ATOM 815 CA GLN A 146 15.439 -3.774 -0.707 1.00 0.00 C ATOM 816 C GLN A 146 14.640 -3.127 -1.840 1.00 0.00 C ATOM 817 O GLN A 146 14.059 -2.056 -1.661 1.00 0.00 O ATOM 818 CB GLN A 146 15.671 -5.259 -0.997 1.00 0.00 C ATOM 819 CG GLN A 146 16.463 -5.974 0.087 1.00 0.00 C ATOM 820 CD GLN A 146 16.686 -7.440 -0.223 1.00 0.00 C ATOM 821 OE1 GLN A 146 15.735 -8.202 -0.399 1.00 0.00 O ATOM 822 NE2 GLN A 146 17.949 -7.845 -0.288 1.00 0.00 N ATOM 0 H GLN A 146 15.286 -3.163 1.294 1.00 0.00 H new ATOM 0 HA GLN A 146 16.408 -3.281 -0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 146 14.706 -5.752 -1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 146 16.199 -5.357 -1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 146 17.428 -5.482 0.211 1.00 0.00 H new ATOM 0 HG3 GLN A 146 15.935 -5.884 1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 146 18.707 -7.179 -0.135 1.00 0.00 H new ATOM 0 HE22 GLN A 146 18.162 -8.822 -0.491 1.00 0.00 H new ATOM 831 N GLY A 147 14.600 -3.782 -2.998 1.00 0.00 N ATOM 832 CA GLY A 147 13.852 -3.246 -4.121 1.00 0.00 C ATOM 833 C GLY A 147 12.568 -4.014 -4.370 1.00 0.00 C ATOM 834 O GLY A 147 12.175 -4.223 -5.517 1.00 0.00 O ATOM 0 H GLY A 147 15.070 -4.669 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.617 -2.199 -3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.472 -3.277 -5.017 1.00 0.00 H new ATOM 838 N GLN A 148 11.919 -4.436 -3.286 1.00 0.00 N ATOM 839 CA GLN A 148 10.672 -5.195 -3.369 1.00 0.00 C ATOM 840 C GLN A 148 9.857 -5.026 -2.090 1.00 0.00 C ATOM 841 O GLN A 148 10.417 -4.947 -0.998 1.00 0.00 O ATOM 842 CB GLN A 148 10.964 -6.683 -3.594 1.00 0.00 C ATOM 843 CG GLN A 148 11.672 -6.984 -4.905 1.00 0.00 C ATOM 844 CD GLN A 148 12.000 -8.456 -5.086 1.00 0.00 C ATOM 845 OE1 GLN A 148 11.663 -9.275 -4.095 1.00 0.00 O flip ATOM 846 NE2 GLN A 148 12.556 -8.854 -6.110 1.00 0.00 N flip ATOM 0 H GLN A 148 12.239 -4.263 -2.333 1.00 0.00 H new ATOM 0 HA GLN A 148 10.098 -4.811 -4.212 1.00 0.00 H new ATOM 0 HB2 GLN A 148 11.575 -7.051 -2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.025 -7.235 -3.565 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.044 -6.654 -5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 148 12.594 -6.405 -4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 148 12.799 -8.193 -6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 148 12.774 -9.844 -6.220 1.00 0.00 H new ATOM 855 N TRP A 149 8.535 -4.974 -2.225 1.00 0.00 N ATOM 856 CA TRP A 149 7.665 -4.818 -1.065 1.00 0.00 C ATOM 857 C TRP A 149 7.395 -6.171 -0.417 1.00 0.00 C ATOM 858 O TRP A 149 7.172 -7.166 -1.108 1.00 0.00 O ATOM 859 CB TRP A 149 6.342 -4.156 -1.455 1.00 0.00 C ATOM 860 CG TRP A 149 6.512 -2.864 -2.192 1.00 0.00 C ATOM 861 CD1 TRP A 149 6.809 -2.705 -3.514 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.411 -1.546 -1.642 1.00 0.00 C ATOM 863 NE1 TRP A 149 6.886 -1.368 -3.823 1.00 0.00 N ATOM 864 CE2 TRP A 149 6.647 -0.637 -2.690 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.140 -1.046 -0.366 1.00 0.00 C ATOM 866 CZ2 TRP A 149 6.622 0.743 -2.500 1.00 0.00 C ATOM 867 CZ3 TRP A 149 6.117 0.323 -0.178 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.356 1.204 -1.239 1.00 0.00 C ATOM 0 H TRP A 149 8.047 -5.037 -3.118 1.00 0.00 H new ATOM 0 HA TRP A 149 8.175 -4.174 -0.349 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.769 -4.846 -2.075 1.00 0.00 H new ATOM 0 HB3 TRP A 149 5.756 -3.976 -0.554 1.00 0.00 H new ATOM 0 HD1 TRP A 149 6.961 -3.512 -4.215 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.088 -0.983 -4.746 1.00 0.00 H new ATOM 0 HE3 TRP A 149 5.952 -1.717 0.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 6.806 1.424 -3.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 5.911 0.720 0.805 1.00 0.00 H new ATOM 0 HH2 TRP A 149 6.330 2.269 -1.059 1.00 0.00 H new ATOM 879 N SER A 150 7.427 -6.203 0.912 1.00 0.00 N ATOM 880 CA SER A 150 7.196 -7.438 1.650 1.00 0.00 C ATOM 881 C SER A 150 5.842 -8.047 1.301 1.00 0.00 C ATOM 882 O SER A 150 5.769 -9.165 0.792 1.00 0.00 O ATOM 883 CB SER A 150 7.278 -7.176 3.156 1.00 0.00 C ATOM 884 OG SER A 150 7.052 -8.364 3.894 1.00 0.00 O ATOM 0 H SER A 150 7.610 -5.389 1.498 1.00 0.00 H new ATOM 0 HA SER A 150 7.972 -8.149 1.365 1.00 0.00 H new ATOM 0 HB2 SER A 150 8.259 -6.771 3.405 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.541 -6.424 3.438 1.00 0.00 H new ATOM 0 HG SER A 150 7.112 -8.170 4.853 1.00 0.00 H new ATOM 890 N THR A 151 4.769 -7.308 1.575 1.00 0.00 N ATOM 891 CA THR A 151 3.422 -7.790 1.285 1.00 0.00 C ATOM 892 C THR A 151 2.930 -7.310 -0.081 1.00 0.00 C ATOM 893 O THR A 151 3.064 -6.133 -0.421 1.00 0.00 O ATOM 894 CB THR A 151 2.426 -7.341 2.366 1.00 0.00 C ATOM 895 OG1 THR A 151 2.557 -5.936 2.596 1.00 0.00 O ATOM 896 CG2 THR A 151 2.655 -8.096 3.665 1.00 0.00 C ATOM 0 H THR A 151 4.806 -6.379 1.995 1.00 0.00 H new ATOM 0 HA THR A 151 3.477 -8.879 1.275 1.00 0.00 H new ATOM 0 HB THR A 151 1.418 -7.560 2.013 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.238 -5.721 3.497 1.00 0.00 H new ATOM 0 HG21 THR A 151 1.937 -7.759 4.413 1.00 0.00 H new ATOM 0 HG22 THR A 151 2.525 -9.164 3.493 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.667 -7.907 4.022 1.00 0.00 H new ATOM 904 N PRO A 152 2.344 -8.221 -0.886 1.00 0.00 N ATOM 905 CA PRO A 152 1.822 -7.886 -2.218 1.00 0.00 C ATOM 906 C PRO A 152 0.647 -6.915 -2.148 1.00 0.00 C ATOM 907 O PRO A 152 -0.205 -7.027 -1.268 1.00 0.00 O ATOM 908 CB PRO A 152 1.370 -9.238 -2.780 1.00 0.00 C ATOM 909 CG PRO A 152 1.141 -10.095 -1.584 1.00 0.00 C ATOM 910 CD PRO A 152 2.138 -9.643 -0.554 1.00 0.00 C ATOM 0 HA PRO A 152 2.569 -7.387 -2.835 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.461 -9.135 -3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.129 -9.667 -3.434 1.00 0.00 H new ATOM 0 HG2 PRO A 152 0.121 -9.985 -1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.281 -11.149 -1.826 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.756 -9.769 0.459 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.067 -10.210 -0.617 1.00 0.00 H new ATOM 918 N LYS A 153 0.616 -5.961 -3.077 1.00 0.00 N ATOM 919 CA LYS A 153 -0.446 -4.954 -3.124 1.00 0.00 C ATOM 920 C LYS A 153 -1.821 -5.576 -2.872 1.00 0.00 C ATOM 921 O LYS A 153 -2.172 -6.592 -3.471 1.00 0.00 O ATOM 922 CB LYS A 153 -0.436 -4.242 -4.479 1.00 0.00 C ATOM 923 CG LYS A 153 -1.404 -3.072 -4.560 1.00 0.00 C ATOM 924 CD LYS A 153 -1.367 -2.413 -5.929 1.00 0.00 C ATOM 925 CE LYS A 153 -2.261 -1.186 -5.980 1.00 0.00 C ATOM 926 NZ LYS A 153 -2.267 -0.557 -7.329 1.00 0.00 N ATOM 0 H LYS A 153 1.317 -5.863 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.254 -4.230 -2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.573 -3.883 -4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -0.683 -4.961 -5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.415 -3.420 -4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -1.154 -2.338 -3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.343 -2.128 -6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -1.685 -3.128 -6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.278 -1.467 -5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -1.921 -0.459 -5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -2.069 0.460 -7.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -1.537 -1.001 -7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.199 -0.690 -7.770 1.00 0.00 H new ATOM 940 N PRO A 154 -2.617 -4.967 -1.970 1.00 0.00 N ATOM 941 CA PRO A 154 -3.955 -5.459 -1.629 1.00 0.00 C ATOM 942 C PRO A 154 -5.018 -5.030 -2.634 1.00 0.00 C ATOM 943 O PRO A 154 -4.705 -4.688 -3.776 1.00 0.00 O ATOM 944 CB PRO A 154 -4.218 -4.799 -0.278 1.00 0.00 C ATOM 945 CG PRO A 154 -3.483 -3.505 -0.350 1.00 0.00 C ATOM 946 CD PRO A 154 -2.270 -3.751 -1.207 1.00 0.00 C ATOM 0 HA PRO A 154 -4.000 -6.548 -1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.284 -4.642 -0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.856 -5.417 0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.111 -2.725 -0.781 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.193 -3.167 0.645 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.070 -2.908 -1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.376 -3.900 -0.601 1.00 0.00 H new ATOM 954 N HIS A 155 -6.277 -5.040 -2.198 1.00 0.00 N ATOM 955 CA HIS A 155 -7.387 -4.639 -3.052 1.00 0.00 C ATOM 956 C HIS A 155 -8.550 -4.122 -2.214 1.00 0.00 C ATOM 957 O HIS A 155 -8.732 -4.532 -1.069 1.00 0.00 O ATOM 958 CB HIS A 155 -7.837 -5.798 -3.947 1.00 0.00 C ATOM 959 CG HIS A 155 -8.077 -7.082 -3.217 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.091 -7.748 -2.518 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.196 -7.836 -3.094 1.00 0.00 C ATOM 962 CE1 HIS A 155 -7.592 -8.855 -2.001 1.00 0.00 C ATOM 963 NE2 HIS A 155 -8.866 -8.931 -2.334 1.00 0.00 N ATOM 0 H HIS A 155 -6.551 -5.322 -1.257 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.043 -3.830 -3.697 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -8.753 -5.510 -4.462 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.080 -5.965 -4.713 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.166 -7.617 -3.515 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.050 -9.576 -1.406 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -9.503 -9.682 -2.070 1.00 0.00 H new ATOM 972 N CYS A 156 -9.328 -3.209 -2.785 1.00 0.00 N ATOM 973 CA CYS A 156 -10.465 -2.629 -2.079 1.00 0.00 C ATOM 974 C CYS A 156 -11.758 -3.352 -2.440 1.00 0.00 C ATOM 975 O CYS A 156 -11.984 -3.700 -3.598 1.00 0.00 O ATOM 976 CB CYS A 156 -10.594 -1.141 -2.412 1.00 0.00 C ATOM 977 SG CYS A 156 -9.122 -0.151 -1.995 1.00 0.00 S ATOM 0 H CYS A 156 -9.193 -2.855 -3.732 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.291 -2.744 -1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -10.799 -1.035 -3.477 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.454 -0.734 -1.880 1.00 0.00 H new ATOM 982 N GLN A 157 -12.601 -3.573 -1.436 1.00 0.00 N ATOM 983 CA GLN A 157 -13.875 -4.255 -1.642 1.00 0.00 C ATOM 984 C GLN A 157 -15.016 -3.469 -1.007 1.00 0.00 C ATOM 985 O GLN A 157 -14.914 -3.024 0.136 1.00 0.00 O ATOM 986 CB GLN A 157 -13.819 -5.666 -1.052 1.00 0.00 C ATOM 987 CG GLN A 157 -15.119 -6.443 -1.197 1.00 0.00 C ATOM 988 CD GLN A 157 -15.025 -7.846 -0.631 1.00 0.00 C ATOM 989 OE1 GLN A 157 -15.845 -8.136 0.373 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -14.224 -8.660 -1.089 1.00 0.00 N flip ATOM 0 H GLN A 157 -12.425 -3.290 -0.472 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.058 -4.324 -2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.018 -6.222 -1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.563 -5.598 0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -15.919 -5.903 -0.690 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.390 -6.498 -2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -13.613 -8.395 -1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -14.172 -9.600 -0.697 1.00 0.00 H new ATOM 999 N VAL A 158 -16.106 -3.303 -1.751 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.260 -2.574 -1.250 1.00 0.00 C ATOM 1001 C VAL A 158 -18.049 -3.435 -0.275 1.00 0.00 C ATOM 1002 O VAL A 158 -18.453 -4.553 -0.600 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.182 -2.107 -2.397 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.649 -3.288 -3.235 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.370 -1.332 -1.847 1.00 0.00 C ATOM 0 H VAL A 158 -16.211 -3.663 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.887 -1.689 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.609 -1.442 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.297 -2.932 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -17.784 -3.793 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.201 -3.986 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -20.008 -1.011 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -19.941 -1.971 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -19.013 -0.458 -1.303 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.255 -2.915 0.925 1.00 0.00 N ATOM 1016 CA ASN A 159 -18.983 -3.642 1.949 1.00 0.00 C ATOM 1017 C ASN A 159 -20.477 -3.673 1.640 1.00 0.00 C ATOM 1018 O ASN A 159 -21.039 -2.600 1.341 1.00 0.00 O ATOM 1019 CB ASN A 159 -18.740 -3.015 3.322 1.00 0.00 C ATOM 1020 CG ASN A 159 -17.274 -3.027 3.711 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -16.657 -4.086 3.817 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -16.708 -1.844 3.927 1.00 0.00 N ATOM 1023 OXT ASN A 159 -21.070 -4.771 1.702 1.00 0.00 O ATOM 0 H ASN A 159 -17.928 -1.993 1.212 1.00 0.00 H new ATOM 0 HA ASN A 159 -18.616 -4.668 1.960 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -19.104 -1.988 3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -19.317 -3.555 4.073 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -15.725 -1.790 4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -17.257 -0.990 3.828 1.00 0.00 H new