USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 HIS : no HD1:sc= -1.51! C(o=-2.1!,f=-6.2!) USER MOD Set 1.2: A 159 ASN :FLIP amide:sc= -0.603 F(o=-4.8!,f=-2.1) USER MOD Single : A 100 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.0482 (180deg=-0.239) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 150:sc= 0 USER MOD Single : A 105 THR OG1 : rot -11:sc= 0.176 USER MOD Single : A 108 ASN :FLIP amide:sc= 0.121 F(o=-2.4!,f=0.12) USER MOD Single : A 110 LYS NZ :NH3+ -166:sc= -0.0335 (180deg=-0.244) USER MOD Single : A 114 THR OG1 : rot 38:sc= 0.334 USER MOD Single : A 139 SER OG : rot 173:sc= 0.57 USER MOD Single : A 140 SER OG : rot 180:sc= -0.496 USER MOD Single : A 142 SER OG : rot 116:sc= -0.481 USER MOD Single : A 145 SER OG : rot 180:sc= 0.292 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=-1.3!,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot -147:sc= 0.311 USER MOD Single : A 153 LYS NZ :NH3+ -135:sc= 1.16 (180deg=-1.13) USER MOD Single : A 155 HIS : no HD1:sc= -0.36 K(o=-0.36,f=-1) USER MOD Single : A 157 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 97 17.945 0.323 -7.386 1.00 0.00 N ATOM 80 CA ARG A 97 16.724 -0.449 -7.579 1.00 0.00 C ATOM 81 C ARG A 97 15.672 -0.085 -6.531 1.00 0.00 C ATOM 82 O ARG A 97 15.160 -0.951 -5.821 1.00 0.00 O ATOM 83 CB ARG A 97 17.042 -1.945 -7.530 1.00 0.00 C ATOM 84 CG ARG A 97 15.855 -2.843 -7.831 1.00 0.00 C ATOM 85 CD ARG A 97 15.281 -2.581 -9.215 1.00 0.00 C ATOM 86 NE ARG A 97 14.152 -3.460 -9.510 1.00 0.00 N ATOM 87 CZ ARG A 97 13.480 -3.441 -10.657 1.00 0.00 C ATOM 88 NH1 ARG A 97 13.820 -2.592 -11.616 1.00 0.00 N ATOM 89 NH2 ARG A 97 12.466 -4.276 -10.845 1.00 0.00 N ATOM 0 HA ARG A 97 16.312 -0.207 -8.559 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.837 -2.160 -8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.428 -2.191 -6.541 1.00 0.00 H new ATOM 0 HG2 ARG A 97 16.161 -3.886 -7.757 1.00 0.00 H new ATOM 0 HG3 ARG A 97 15.080 -2.684 -7.081 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.960 -1.542 -9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.059 -2.725 -9.964 1.00 0.00 H new ATOM 0 HE ARG A 97 13.863 -4.127 -8.795 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.600 -1.950 -11.476 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.302 -2.581 -12.494 1.00 0.00 H new ATOM 0 HH21 ARG A 97 12.202 -4.932 -10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.950 -4.262 -11.725 1.00 0.00 H new ATOM 103 N ILE A 98 15.359 1.203 -6.439 1.00 0.00 N ATOM 104 CA ILE A 98 14.371 1.683 -5.481 1.00 0.00 C ATOM 105 C ILE A 98 13.037 0.961 -5.659 1.00 0.00 C ATOM 106 O ILE A 98 12.630 0.663 -6.782 1.00 0.00 O ATOM 107 CB ILE A 98 14.149 3.202 -5.614 1.00 0.00 C ATOM 108 CG1 ILE A 98 13.692 3.553 -7.032 1.00 0.00 C ATOM 109 CG2 ILE A 98 15.422 3.956 -5.255 1.00 0.00 C ATOM 110 CD1 ILE A 98 13.378 5.023 -7.225 1.00 0.00 C ATOM 0 H ILE A 98 15.776 1.933 -7.017 1.00 0.00 H new ATOM 0 HA ILE A 98 14.764 1.471 -4.487 1.00 0.00 H new ATOM 0 HB ILE A 98 13.365 3.502 -4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 98 14.470 3.261 -7.738 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.806 2.966 -7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.250 5.028 -5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.703 3.727 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 98 16.225 3.654 -5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 98 13.061 5.195 -8.254 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.578 5.317 -6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 98 14.268 5.616 -7.016 1.00 0.00 H new ATOM 122 N CYS A 99 12.365 0.680 -4.545 1.00 0.00 N ATOM 123 CA CYS A 99 11.079 -0.012 -4.577 1.00 0.00 C ATOM 124 C CYS A 99 10.112 0.657 -5.549 1.00 0.00 C ATOM 125 O CYS A 99 9.996 1.883 -5.581 1.00 0.00 O ATOM 126 CB CYS A 99 10.460 -0.058 -3.177 1.00 0.00 C ATOM 127 SG CYS A 99 11.394 -1.068 -1.982 1.00 0.00 S ATOM 0 H CYS A 99 12.690 0.921 -3.609 1.00 0.00 H new ATOM 0 HA CYS A 99 11.261 -1.030 -4.922 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.381 0.959 -2.793 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.446 -0.450 -3.253 1.00 0.00 H new ATOM 132 N SER A 100 9.425 -0.164 -6.341 1.00 0.00 N ATOM 133 CA SER A 100 8.465 0.328 -7.324 1.00 0.00 C ATOM 134 C SER A 100 7.519 1.355 -6.709 1.00 0.00 C ATOM 135 O SER A 100 6.894 1.100 -5.681 1.00 0.00 O ATOM 136 CB SER A 100 7.661 -0.840 -7.896 1.00 0.00 C ATOM 137 OG SER A 100 6.707 -0.392 -8.845 1.00 0.00 O ATOM 0 H SER A 100 9.517 -1.180 -6.320 1.00 0.00 H new ATOM 0 HA SER A 100 9.021 0.816 -8.125 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.337 -1.554 -8.366 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.154 -1.366 -7.087 1.00 0.00 H new ATOM 0 HG SER A 100 6.209 -1.160 -9.195 1.00 0.00 H new ATOM 143 N LYS A 101 7.416 2.518 -7.349 1.00 0.00 N ATOM 144 CA LYS A 101 6.540 3.580 -6.865 1.00 0.00 C ATOM 145 C LYS A 101 5.095 3.329 -7.288 1.00 0.00 C ATOM 146 O LYS A 101 4.244 4.212 -7.181 1.00 0.00 O ATOM 147 CB LYS A 101 7.003 4.949 -7.382 1.00 0.00 C ATOM 148 CG LYS A 101 6.815 5.152 -8.881 1.00 0.00 C ATOM 149 CD LYS A 101 7.758 4.285 -9.702 1.00 0.00 C ATOM 150 CE LYS A 101 9.214 4.649 -9.455 1.00 0.00 C ATOM 151 NZ LYS A 101 9.505 6.063 -9.820 1.00 0.00 N ATOM 0 H LYS A 101 7.927 2.747 -8.201 1.00 0.00 H new ATOM 0 HA LYS A 101 6.591 3.580 -5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.457 5.728 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.058 5.078 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.784 4.921 -9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.981 6.201 -9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.598 3.236 -9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.529 4.400 -10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.454 4.489 -8.404 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.857 3.986 -10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.534 6.209 -9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.100 6.271 -10.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.084 6.698 -9.112 1.00 0.00 H new ATOM 165 N SER A 102 4.825 2.118 -7.768 1.00 0.00 N ATOM 166 CA SER A 102 3.483 1.749 -8.205 1.00 0.00 C ATOM 167 C SER A 102 2.532 1.659 -7.016 1.00 0.00 C ATOM 168 O SER A 102 1.385 2.102 -7.090 1.00 0.00 O ATOM 169 CB SER A 102 3.516 0.415 -8.953 1.00 0.00 C ATOM 170 OG SER A 102 2.223 0.049 -9.403 1.00 0.00 O ATOM 0 H SER A 102 5.518 1.376 -7.864 1.00 0.00 H new ATOM 0 HA SER A 102 3.120 2.524 -8.880 1.00 0.00 H new ATOM 0 HB2 SER A 102 4.193 0.489 -9.804 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.910 -0.363 -8.299 1.00 0.00 H new ATOM 0 HG SER A 102 2.272 -0.806 -9.879 1.00 0.00 H new ATOM 176 N TYR A 103 3.020 1.080 -5.923 1.00 0.00 N ATOM 177 CA TYR A 103 2.221 0.923 -4.710 1.00 0.00 C ATOM 178 C TYR A 103 1.686 2.266 -4.224 1.00 0.00 C ATOM 179 O TYR A 103 0.577 2.342 -3.695 1.00 0.00 O ATOM 180 CB TYR A 103 3.049 0.260 -3.605 1.00 0.00 C ATOM 181 CG TYR A 103 3.397 -1.189 -3.880 1.00 0.00 C ATOM 182 CD1 TYR A 103 3.962 -1.577 -5.089 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.159 -2.169 -2.923 1.00 0.00 C ATOM 184 CE1 TYR A 103 4.279 -2.900 -5.338 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.474 -3.493 -3.164 1.00 0.00 C ATOM 186 CZ TYR A 103 4.032 -3.853 -4.373 1.00 0.00 C ATOM 187 OH TYR A 103 4.346 -5.170 -4.616 1.00 0.00 O ATOM 0 H TYR A 103 3.968 0.710 -5.852 1.00 0.00 H new ATOM 0 HA TYR A 103 1.372 0.283 -4.952 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.971 0.825 -3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.497 0.319 -2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 103 4.157 -0.833 -5.847 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.721 -1.891 -1.976 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.718 -3.185 -6.283 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.284 -4.242 -2.409 1.00 0.00 H new ATOM 0 HH TYR A 103 4.574 -5.613 -3.772 1.00 0.00 H new ATOM 197 N LEU A 104 2.478 3.320 -4.404 1.00 0.00 N ATOM 198 CA LEU A 104 2.081 4.660 -3.978 1.00 0.00 C ATOM 199 C LEU A 104 0.662 4.981 -4.438 1.00 0.00 C ATOM 200 O LEU A 104 -0.154 5.480 -3.663 1.00 0.00 O ATOM 201 CB LEU A 104 3.054 5.704 -4.535 1.00 0.00 C ATOM 202 CG LEU A 104 4.515 5.523 -4.113 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.387 6.598 -4.744 1.00 0.00 C ATOM 204 CD2 LEU A 104 4.644 5.553 -2.597 1.00 0.00 C ATOM 0 H LEU A 104 3.398 3.273 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 104 2.107 4.689 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.001 5.682 -5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.721 6.693 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 104 4.856 4.550 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.422 6.455 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.321 6.529 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.044 7.581 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.690 5.423 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.285 6.511 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.050 4.747 -2.165 1.00 0.00 H new ATOM 216 N THR A 105 0.374 4.682 -5.700 1.00 0.00 N ATOM 217 CA THR A 105 -0.950 4.930 -6.259 1.00 0.00 C ATOM 218 C THR A 105 -1.836 3.697 -6.121 1.00 0.00 C ATOM 219 O THR A 105 -1.387 2.574 -6.348 1.00 0.00 O ATOM 220 CB THR A 105 -0.868 5.326 -7.746 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.305 4.253 -8.509 1.00 0.00 O ATOM 222 CG2 THR A 105 -0.025 6.579 -7.925 1.00 0.00 C ATOM 0 H THR A 105 1.038 4.268 -6.354 1.00 0.00 H new ATOM 0 HA THR A 105 -1.385 5.756 -5.697 1.00 0.00 H new ATOM 0 HB THR A 105 -1.878 5.532 -8.101 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.063 3.578 -7.902 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.019 6.840 -8.982 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.472 7.401 -7.367 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.983 6.395 -7.554 1.00 0.00 H new ATOM 230 N LEU A 106 -3.094 3.910 -5.750 1.00 0.00 N ATOM 231 CA LEU A 106 -4.035 2.807 -5.587 1.00 0.00 C ATOM 232 C LEU A 106 -5.442 3.225 -5.998 1.00 0.00 C ATOM 233 O LEU A 106 -5.923 4.288 -5.610 1.00 0.00 O ATOM 234 CB LEU A 106 -4.041 2.316 -4.136 1.00 0.00 C ATOM 235 CG LEU A 106 -4.936 1.103 -3.864 1.00 0.00 C ATOM 236 CD1 LEU A 106 -4.610 -0.035 -4.820 1.00 0.00 C ATOM 237 CD2 LEU A 106 -4.787 0.647 -2.422 1.00 0.00 C ATOM 0 H LEU A 106 -3.485 4.832 -5.557 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.712 1.993 -6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.020 2.066 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.361 3.136 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.972 1.399 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.258 -0.885 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.769 0.295 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.569 -0.331 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.429 -0.216 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.749 0.372 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.075 1.457 -1.752 1.00 0.00 H new ATOM 249 N GLU A 107 -6.097 2.378 -6.785 1.00 0.00 N ATOM 250 CA GLU A 107 -7.450 2.659 -7.244 1.00 0.00 C ATOM 251 C GLU A 107 -8.439 2.590 -6.086 1.00 0.00 C ATOM 252 O GLU A 107 -8.425 1.641 -5.301 1.00 0.00 O ATOM 253 CB GLU A 107 -7.853 1.674 -8.345 1.00 0.00 C ATOM 254 CG GLU A 107 -7.773 0.217 -7.920 1.00 0.00 C ATOM 255 CD GLU A 107 -8.143 -0.736 -9.039 1.00 0.00 C ATOM 256 OE1 GLU A 107 -7.466 -0.711 -10.088 1.00 0.00 O ATOM 257 OE2 GLU A 107 -9.110 -1.509 -8.866 1.00 0.00 O ATOM 0 H GLU A 107 -5.713 1.493 -7.117 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.470 3.670 -7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.872 1.895 -8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.209 1.827 -9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.761 -0.004 -7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.438 0.052 -7.072 1.00 0.00 H new ATOM 264 N ASN A 108 -9.294 3.604 -5.985 1.00 0.00 N ATOM 265 CA ASN A 108 -10.293 3.665 -4.922 1.00 0.00 C ATOM 266 C ASN A 108 -9.635 3.638 -3.546 1.00 0.00 C ATOM 267 O ASN A 108 -10.198 3.098 -2.594 1.00 0.00 O ATOM 268 CB ASN A 108 -11.273 2.493 -5.047 1.00 0.00 C ATOM 269 CG ASN A 108 -12.043 2.498 -6.358 1.00 0.00 C ATOM 270 OD1 ASN A 108 -11.764 3.474 -7.216 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -12.881 1.629 -6.596 1.00 0.00 N flip ATOM 0 H ASN A 108 -9.315 4.396 -6.627 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.836 4.604 -5.027 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.723 1.556 -4.959 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -11.979 2.527 -4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.065 0.897 -5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.391 1.641 -7.479 1.00 0.00 H new ATOM 278 N GLY A 109 -8.444 4.223 -3.440 1.00 0.00 N ATOM 279 CA GLY A 109 -7.749 4.239 -2.164 1.00 0.00 C ATOM 280 C GLY A 109 -6.461 5.035 -2.190 1.00 0.00 C ATOM 281 O GLY A 109 -5.824 5.179 -3.232 1.00 0.00 O ATOM 0 H GLY A 109 -7.952 4.682 -4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.410 4.656 -1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.528 3.214 -1.866 1.00 0.00 H new ATOM 285 N LYS A 110 -6.084 5.550 -1.027 1.00 0.00 N ATOM 286 CA LYS A 110 -4.868 6.338 -0.884 1.00 0.00 C ATOM 287 C LYS A 110 -3.810 5.567 -0.101 1.00 0.00 C ATOM 288 O LYS A 110 -4.132 4.822 0.824 1.00 0.00 O ATOM 289 CB LYS A 110 -5.172 7.660 -0.179 1.00 0.00 C ATOM 290 CG LYS A 110 -6.180 8.526 -0.917 1.00 0.00 C ATOM 291 CD LYS A 110 -6.472 9.811 -0.160 1.00 0.00 C ATOM 292 CE LYS A 110 -7.117 9.535 1.189 1.00 0.00 C ATOM 293 NZ LYS A 110 -8.418 8.825 1.048 1.00 0.00 N ATOM 0 H LYS A 110 -6.610 5.434 -0.161 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.480 6.545 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.550 7.450 0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.244 8.219 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.797 8.766 -1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.106 7.968 -1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.545 10.366 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.131 10.443 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.441 8.936 1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.272 10.476 1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.934 8.864 1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.984 9.282 0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.246 7.832 0.791 1.00 0.00 H new ATOM 307 N VAL A 111 -2.548 5.750 -0.476 1.00 0.00 N ATOM 308 CA VAL A 111 -1.447 5.070 0.196 1.00 0.00 C ATOM 309 C VAL A 111 -0.615 6.051 1.014 1.00 0.00 C ATOM 310 O VAL A 111 -0.311 7.155 0.561 1.00 0.00 O ATOM 311 CB VAL A 111 -0.535 4.344 -0.813 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.667 3.730 -0.111 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.319 3.282 -1.567 1.00 0.00 C ATOM 0 H VAL A 111 -2.263 6.362 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.889 4.331 0.865 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.167 5.076 -1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.296 3.223 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.242 4.515 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.325 3.011 0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.661 2.779 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.717 2.554 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.142 3.751 -2.106 1.00 0.00 H new ATOM 323 N PHE A 112 -0.253 5.638 2.224 1.00 0.00 N ATOM 324 CA PHE A 112 0.542 6.473 3.118 1.00 0.00 C ATOM 325 C PHE A 112 1.961 5.930 3.245 1.00 0.00 C ATOM 326 O PHE A 112 2.178 4.722 3.194 1.00 0.00 O ATOM 327 CB PHE A 112 -0.113 6.552 4.502 1.00 0.00 C ATOM 328 CG PHE A 112 -1.381 7.362 4.531 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.408 7.110 3.634 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.544 8.379 5.458 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.571 7.856 3.661 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.705 9.128 5.490 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.719 8.867 4.591 1.00 0.00 C ATOM 0 H PHE A 112 -0.499 4.726 2.610 1.00 0.00 H new ATOM 0 HA PHE A 112 0.589 7.475 2.692 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.331 5.542 4.848 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.599 6.984 5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.298 6.321 2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.754 8.589 6.164 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.363 7.649 2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.819 9.917 6.218 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.627 9.452 4.614 1.00 0.00 H new ATOM 343 N LEU A 113 2.925 6.833 3.403 1.00 0.00 N ATOM 344 CA LEU A 113 4.324 6.440 3.530 1.00 0.00 C ATOM 345 C LEU A 113 5.052 7.360 4.504 1.00 0.00 C ATOM 346 O LEU A 113 4.959 8.584 4.407 1.00 0.00 O ATOM 347 CB LEU A 113 5.004 6.471 2.153 1.00 0.00 C ATOM 348 CG LEU A 113 6.408 5.852 2.081 1.00 0.00 C ATOM 349 CD1 LEU A 113 6.831 5.677 0.630 1.00 0.00 C ATOM 350 CD2 LEU A 113 7.427 6.707 2.820 1.00 0.00 C ATOM 0 H LEU A 113 2.763 7.839 3.446 1.00 0.00 H new ATOM 0 HA LEU A 113 4.368 5.424 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.363 5.951 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.069 7.508 1.825 1.00 0.00 H new ATOM 0 HG LEU A 113 6.369 4.876 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.828 5.237 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.125 5.020 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.844 6.648 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.411 6.242 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.462 7.700 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.139 6.792 3.868 1.00 0.00 H new ATOM 362 N THR A 114 5.784 6.757 5.437 1.00 0.00 N ATOM 363 CA THR A 114 6.541 7.508 6.432 1.00 0.00 C ATOM 364 C THR A 114 7.783 6.733 6.857 1.00 0.00 C ATOM 365 O THR A 114 7.689 5.591 7.310 1.00 0.00 O ATOM 366 CB THR A 114 5.693 7.809 7.685 1.00 0.00 C ATOM 367 OG1 THR A 114 5.210 6.587 8.254 1.00 0.00 O ATOM 368 CG2 THR A 114 4.519 8.717 7.350 1.00 0.00 C ATOM 0 H THR A 114 5.868 5.744 5.524 1.00 0.00 H new ATOM 0 HA THR A 114 6.830 8.450 5.967 1.00 0.00 H new ATOM 0 HB THR A 114 6.328 8.322 8.407 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.899 5.895 8.176 1.00 0.00 H new ATOM 0 HG21 THR A 114 3.940 8.911 8.253 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.891 9.659 6.948 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.884 8.232 6.609 1.00 0.00 H new ATOM 376 N GLY A 115 8.945 7.357 6.703 1.00 0.00 N ATOM 377 CA GLY A 115 10.190 6.709 7.070 1.00 0.00 C ATOM 378 C GLY A 115 11.398 7.419 6.493 1.00 0.00 C ATOM 379 O GLY A 115 12.450 7.488 7.130 1.00 0.00 O ATOM 0 H GLY A 115 9.047 8.301 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.274 6.677 8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.177 5.677 6.721 1.00 0.00 H new ATOM 383 N GLY A 116 11.246 7.944 5.281 1.00 0.00 N ATOM 384 CA GLY A 116 12.336 8.642 4.628 1.00 0.00 C ATOM 385 C GLY A 116 11.853 9.570 3.529 1.00 0.00 C ATOM 386 O GLY A 116 10.883 10.304 3.713 1.00 0.00 O ATOM 0 H GLY A 116 10.383 7.897 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.890 9.218 5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.029 7.914 4.207 1.00 0.00 H new ATOM 390 N ASP A 117 12.528 9.534 2.383 1.00 0.00 N ATOM 391 CA ASP A 117 12.164 10.374 1.248 1.00 0.00 C ATOM 392 C ASP A 117 13.039 10.043 0.049 1.00 0.00 C ATOM 393 O ASP A 117 14.263 9.994 0.166 1.00 0.00 O ATOM 394 CB ASP A 117 12.307 11.855 1.608 1.00 0.00 C ATOM 395 CG ASP A 117 13.722 12.219 2.013 1.00 0.00 C ATOM 396 OD1 ASP A 117 14.227 11.637 2.996 1.00 0.00 O ATOM 397 OD2 ASP A 117 14.325 13.087 1.347 1.00 0.00 O ATOM 0 H ASP A 117 13.333 8.929 2.217 1.00 0.00 H new ATOM 0 HA ASP A 117 11.123 10.177 0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 117 12.009 12.464 0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.626 12.095 2.424 1.00 0.00 H new ATOM 402 N LEU A 118 12.406 9.809 -1.096 1.00 0.00 N ATOM 403 CA LEU A 118 13.127 9.465 -2.317 1.00 0.00 C ATOM 404 C LEU A 118 14.391 10.311 -2.472 1.00 0.00 C ATOM 405 O LEU A 118 14.386 11.510 -2.193 1.00 0.00 O ATOM 406 CB LEU A 118 12.213 9.599 -3.554 1.00 0.00 C ATOM 407 CG LEU A 118 11.717 11.012 -3.920 1.00 0.00 C ATOM 408 CD1 LEU A 118 11.132 11.724 -2.709 1.00 0.00 C ATOM 409 CD2 LEU A 118 12.830 11.842 -4.542 1.00 0.00 C ATOM 0 H LEU A 118 11.393 9.851 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 118 13.436 8.423 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 118 12.749 9.197 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 118 11.340 8.965 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 118 10.925 10.897 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 118 10.791 12.718 -3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 118 10.290 11.151 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 118 11.895 11.814 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 118 12.450 12.833 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 118 13.653 11.935 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 118 13.185 11.353 -5.449 1.00 0.00 H new ATOM 421 N PRO A 119 15.501 9.688 -2.912 1.00 0.00 N ATOM 422 CA PRO A 119 15.548 8.264 -3.252 1.00 0.00 C ATOM 423 C PRO A 119 15.843 7.368 -2.047 1.00 0.00 C ATOM 424 O PRO A 119 16.594 6.399 -2.158 1.00 0.00 O ATOM 425 CB PRO A 119 16.700 8.209 -4.247 1.00 0.00 C ATOM 426 CG PRO A 119 17.646 9.263 -3.778 1.00 0.00 C ATOM 427 CD PRO A 119 16.809 10.338 -3.124 1.00 0.00 C ATOM 0 HA PRO A 119 14.594 7.899 -3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 119 17.172 7.226 -4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 119 16.357 8.406 -5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.366 8.850 -3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 119 18.216 9.671 -4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.248 10.669 -2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 119 16.720 11.218 -3.761 1.00 0.00 H new ATOM 435 N ALA A 120 15.249 7.687 -0.898 1.00 0.00 N ATOM 436 CA ALA A 120 15.459 6.898 0.312 1.00 0.00 C ATOM 437 C ALA A 120 14.338 5.882 0.511 1.00 0.00 C ATOM 438 O ALA A 120 13.794 5.751 1.607 1.00 0.00 O ATOM 439 CB ALA A 120 15.575 7.807 1.526 1.00 0.00 C ATOM 0 H ALA A 120 14.622 8.483 -0.781 1.00 0.00 H new ATOM 0 HA ALA A 120 16.393 6.348 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.731 7.203 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.419 8.484 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.658 8.386 1.636 1.00 0.00 H new ATOM 445 N LEU A 121 13.999 5.161 -0.556 1.00 0.00 N ATOM 446 CA LEU A 121 12.943 4.154 -0.494 1.00 0.00 C ATOM 447 C LEU A 121 13.214 3.154 0.624 1.00 0.00 C ATOM 448 O LEU A 121 12.300 2.749 1.342 1.00 0.00 O ATOM 449 CB LEU A 121 12.813 3.423 -1.836 1.00 0.00 C ATOM 450 CG LEU A 121 12.124 4.214 -2.954 1.00 0.00 C ATOM 451 CD1 LEU A 121 10.694 4.555 -2.562 1.00 0.00 C ATOM 452 CD2 LEU A 121 12.902 5.478 -3.288 1.00 0.00 C ATOM 0 H LEU A 121 14.439 5.255 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 121 12.003 4.664 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 121 13.810 3.142 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 121 12.259 2.498 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 121 12.100 3.588 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.220 5.116 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 121 10.136 3.635 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 121 10.700 5.158 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.391 6.020 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 121 12.967 6.110 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.906 5.211 -3.617 1.00 0.00 H new ATOM 464 N ASP A 122 14.476 2.765 0.770 1.00 0.00 N ATOM 465 CA ASP A 122 14.869 1.818 1.807 1.00 0.00 C ATOM 466 C ASP A 122 14.561 2.382 3.190 1.00 0.00 C ATOM 467 O ASP A 122 14.809 3.558 3.459 1.00 0.00 O ATOM 468 CB ASP A 122 16.360 1.498 1.695 1.00 0.00 C ATOM 469 CG ASP A 122 16.725 0.909 0.346 1.00 0.00 C ATOM 470 OD1 ASP A 122 16.180 -0.158 -0.003 1.00 0.00 O ATOM 471 OD2 ASP A 122 17.556 1.519 -0.361 1.00 0.00 O ATOM 0 H ASP A 122 15.244 3.091 0.183 1.00 0.00 H new ATOM 0 HA ASP A 122 14.298 0.900 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 122 16.937 2.408 1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.639 0.797 2.482 1.00 0.00 H new ATOM 476 N GLY A 123 14.018 1.539 4.063 1.00 0.00 N ATOM 477 CA GLY A 123 13.684 1.978 5.404 1.00 0.00 C ATOM 478 C GLY A 123 12.468 2.884 5.431 1.00 0.00 C ATOM 479 O GLY A 123 12.525 3.996 5.956 1.00 0.00 O ATOM 0 H GLY A 123 13.804 0.561 3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.499 1.107 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.536 2.505 5.833 1.00 0.00 H new ATOM 483 N ALA A 124 11.364 2.406 4.862 1.00 0.00 N ATOM 484 CA ALA A 124 10.128 3.176 4.820 1.00 0.00 C ATOM 485 C ALA A 124 8.910 2.273 4.986 1.00 0.00 C ATOM 486 O ALA A 124 8.829 1.201 4.385 1.00 0.00 O ATOM 487 CB ALA A 124 10.034 3.955 3.516 1.00 0.00 C ATOM 0 H ALA A 124 11.302 1.487 4.423 1.00 0.00 H new ATOM 0 HA ALA A 124 10.142 3.880 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.105 4.525 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.880 4.637 3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.049 3.261 2.676 1.00 0.00 H new ATOM 493 N ARG A 125 7.965 2.720 5.809 1.00 0.00 N ATOM 494 CA ARG A 125 6.743 1.963 6.066 1.00 0.00 C ATOM 495 C ARG A 125 5.556 2.595 5.349 1.00 0.00 C ATOM 496 O ARG A 125 5.462 3.818 5.246 1.00 0.00 O ATOM 497 CB ARG A 125 6.462 1.903 7.570 1.00 0.00 C ATOM 498 CG ARG A 125 7.523 1.165 8.370 1.00 0.00 C ATOM 499 CD ARG A 125 7.601 -0.303 7.979 1.00 0.00 C ATOM 500 NE ARG A 125 8.568 -1.037 8.790 1.00 0.00 N ATOM 501 CZ ARG A 125 9.872 -0.778 8.805 1.00 0.00 C ATOM 502 NH1 ARG A 125 10.373 0.179 8.035 1.00 0.00 N ATOM 503 NH2 ARG A 125 10.679 -1.479 9.590 1.00 0.00 N ATOM 0 H ARG A 125 8.023 3.606 6.311 1.00 0.00 H new ATOM 0 HA ARG A 125 6.885 0.951 5.686 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.375 2.920 7.953 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.499 1.418 7.730 1.00 0.00 H new ATOM 0 HG2 ARG A 125 8.493 1.636 8.210 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.300 1.247 9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 125 6.617 -0.759 8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 125 7.875 -0.383 6.927 1.00 0.00 H new ATOM 0 HE ARG A 125 8.223 -1.794 9.380 1.00 0.00 H new ATOM 0 HH11 ARG A 125 9.757 0.720 7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 125 11.374 0.374 8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 125 10.299 -2.217 10.183 1.00 0.00 H new ATOM 0 HH22 ARG A 125 11.679 -1.280 9.601 1.00 0.00 H new ATOM 517 N VAL A 126 4.652 1.756 4.855 1.00 0.00 N ATOM 518 CA VAL A 126 3.474 2.243 4.149 1.00 0.00 C ATOM 519 C VAL A 126 2.208 1.541 4.625 1.00 0.00 C ATOM 520 O VAL A 126 2.181 0.318 4.790 1.00 0.00 O ATOM 521 CB VAL A 126 3.609 2.057 2.624 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.820 2.812 2.100 1.00 0.00 C ATOM 523 CG2 VAL A 126 3.697 0.582 2.266 1.00 0.00 C ATOM 0 H VAL A 126 4.712 0.741 4.930 1.00 0.00 H new ATOM 0 HA VAL A 126 3.398 3.307 4.372 1.00 0.00 H new ATOM 0 HB VAL A 126 2.718 2.467 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.899 2.669 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.709 3.874 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 126 5.721 2.435 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.792 0.475 1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.567 0.141 2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.795 0.071 2.604 1.00 0.00 H new ATOM 533 N GLU A 127 1.159 2.329 4.841 1.00 0.00 N ATOM 534 CA GLU A 127 -0.120 1.799 5.294 1.00 0.00 C ATOM 535 C GLU A 127 -1.180 1.959 4.208 1.00 0.00 C ATOM 536 O GLU A 127 -1.502 3.076 3.805 1.00 0.00 O ATOM 537 CB GLU A 127 -0.567 2.519 6.568 1.00 0.00 C ATOM 538 CG GLU A 127 -1.854 1.969 7.160 1.00 0.00 C ATOM 539 CD GLU A 127 -2.265 2.685 8.432 1.00 0.00 C ATOM 540 OE1 GLU A 127 -2.490 3.913 8.376 1.00 0.00 O ATOM 541 OE2 GLU A 127 -2.358 2.020 9.485 1.00 0.00 O ATOM 0 H GLU A 127 1.171 3.340 4.709 1.00 0.00 H new ATOM 0 HA GLU A 127 0.003 0.737 5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.225 2.447 7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.702 3.578 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.654 2.056 6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.728 0.907 7.370 1.00 0.00 H new ATOM 548 N PHE A 128 -1.719 0.839 3.741 1.00 0.00 N ATOM 549 CA PHE A 128 -2.742 0.858 2.703 1.00 0.00 C ATOM 550 C PHE A 128 -4.122 1.123 3.299 1.00 0.00 C ATOM 551 O PHE A 128 -4.455 0.613 4.368 1.00 0.00 O ATOM 552 CB PHE A 128 -2.749 -0.461 1.925 1.00 0.00 C ATOM 553 CG PHE A 128 -1.525 -0.674 1.079 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.263 -0.728 1.651 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.638 -0.818 -0.296 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.860 -0.922 0.871 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.517 -1.013 -1.081 1.00 0.00 C ATOM 558 CZ PHE A 128 0.732 -1.066 -0.496 1.00 0.00 C ATOM 0 H PHE A 128 -1.464 -0.094 4.065 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.503 1.669 2.015 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.840 -1.287 2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.631 -0.490 1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.157 -0.617 2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.613 -0.777 -0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.837 -0.961 1.330 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.618 -1.124 -2.151 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.609 -1.220 -1.107 1.00 0.00 H new ATOM 568 N ARG A 129 -4.919 1.922 2.597 1.00 0.00 N ATOM 569 CA ARG A 129 -6.265 2.256 3.049 1.00 0.00 C ATOM 570 C ARG A 129 -7.068 2.904 1.925 1.00 0.00 C ATOM 571 O ARG A 129 -6.622 3.866 1.301 1.00 0.00 O ATOM 572 CB ARG A 129 -6.203 3.186 4.262 1.00 0.00 C ATOM 573 CG ARG A 129 -5.410 4.455 4.021 1.00 0.00 C ATOM 574 CD ARG A 129 -5.355 5.323 5.267 1.00 0.00 C ATOM 575 NE ARG A 129 -6.683 5.743 5.703 1.00 0.00 N ATOM 576 CZ ARG A 129 -6.902 6.494 6.778 1.00 0.00 C ATOM 577 NH1 ARG A 129 -5.884 6.898 7.527 1.00 0.00 N ATOM 578 NH2 ARG A 129 -8.138 6.842 7.107 1.00 0.00 N ATOM 0 H ARG A 129 -4.655 2.351 1.710 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.767 1.333 3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -7.218 3.453 4.555 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.761 2.646 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.397 4.199 3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -5.862 5.018 3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -4.868 4.772 6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.744 6.203 5.068 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.488 5.444 5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -4.931 6.632 7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -6.054 7.474 8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -8.924 6.534 6.535 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -8.303 7.418 7.932 1.00 0.00 H new ATOM 592 N CYS A 130 -8.251 2.356 1.666 1.00 0.00 N ATOM 593 CA CYS A 130 -9.118 2.865 0.609 1.00 0.00 C ATOM 594 C CYS A 130 -10.117 3.894 1.130 1.00 0.00 C ATOM 595 O CYS A 130 -10.387 3.970 2.328 1.00 0.00 O ATOM 596 CB CYS A 130 -9.845 1.712 -0.082 1.00 0.00 C ATOM 597 SG CYS A 130 -8.774 0.729 -1.180 1.00 0.00 S ATOM 0 H CYS A 130 -8.632 1.558 2.175 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.484 3.373 -0.117 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.273 1.057 0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.676 2.113 -0.662 1.00 0.00 H new ATOM 602 N ASP A 131 -10.655 4.688 0.205 1.00 0.00 N ATOM 603 CA ASP A 131 -11.625 5.730 0.536 1.00 0.00 C ATOM 604 C ASP A 131 -12.791 5.173 1.351 1.00 0.00 C ATOM 605 O ASP A 131 -13.063 3.974 1.313 1.00 0.00 O ATOM 606 CB ASP A 131 -12.151 6.380 -0.745 1.00 0.00 C ATOM 607 CG ASP A 131 -11.053 7.046 -1.552 1.00 0.00 C ATOM 608 OD1 ASP A 131 -9.883 6.998 -1.118 1.00 0.00 O ATOM 609 OD2 ASP A 131 -11.364 7.618 -2.619 1.00 0.00 O ATOM 0 H ASP A 131 -10.432 4.628 -0.789 1.00 0.00 H new ATOM 0 HA ASP A 131 -11.117 6.478 1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.640 5.623 -1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.909 7.120 -0.488 1.00 0.00 H new ATOM 614 N PRO A 132 -13.494 6.045 2.105 1.00 0.00 N ATOM 615 CA PRO A 132 -14.640 5.647 2.937 1.00 0.00 C ATOM 616 C PRO A 132 -15.760 4.997 2.124 1.00 0.00 C ATOM 617 O PRO A 132 -16.787 5.620 1.852 1.00 0.00 O ATOM 618 CB PRO A 132 -15.124 6.967 3.553 1.00 0.00 C ATOM 619 CG PRO A 132 -14.537 8.036 2.697 1.00 0.00 C ATOM 620 CD PRO A 132 -13.230 7.491 2.204 1.00 0.00 C ATOM 0 HA PRO A 132 -14.355 4.898 3.676 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.213 7.022 3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -14.793 7.064 4.587 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.198 8.279 1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.389 8.955 3.265 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -12.952 7.918 1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.415 7.707 2.895 1.00 0.00 H new ATOM 628 N ASP A 133 -15.548 3.742 1.745 1.00 0.00 N ATOM 629 CA ASP A 133 -16.520 2.987 0.966 1.00 0.00 C ATOM 630 C ASP A 133 -16.016 1.566 0.756 1.00 0.00 C ATOM 631 O ASP A 133 -16.785 0.606 0.806 1.00 0.00 O ATOM 632 CB ASP A 133 -16.774 3.663 -0.386 1.00 0.00 C ATOM 633 CG ASP A 133 -17.840 2.955 -1.201 1.00 0.00 C ATOM 634 OD1 ASP A 133 -17.644 1.768 -1.534 1.00 0.00 O ATOM 635 OD2 ASP A 133 -18.871 3.590 -1.506 1.00 0.00 O ATOM 0 H ASP A 133 -14.700 3.221 1.969 1.00 0.00 H new ATOM 0 HA ASP A 133 -17.461 2.958 1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.076 4.697 -0.220 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -15.845 3.690 -0.955 1.00 0.00 H new ATOM 640 N PHE A 134 -14.712 1.444 0.534 1.00 0.00 N ATOM 641 CA PHE A 134 -14.084 0.146 0.331 1.00 0.00 C ATOM 642 C PHE A 134 -13.230 -0.212 1.543 1.00 0.00 C ATOM 643 O PHE A 134 -12.452 0.611 2.026 1.00 0.00 O ATOM 644 CB PHE A 134 -13.211 0.156 -0.929 1.00 0.00 C ATOM 645 CG PHE A 134 -13.954 0.501 -2.191 1.00 0.00 C ATOM 646 CD1 PHE A 134 -14.544 1.746 -2.350 1.00 0.00 C ATOM 647 CD2 PHE A 134 -14.060 -0.420 -3.220 1.00 0.00 C ATOM 648 CE1 PHE A 134 -15.225 2.064 -3.510 1.00 0.00 C ATOM 649 CE2 PHE A 134 -14.739 -0.108 -4.383 1.00 0.00 C ATOM 650 CZ PHE A 134 -15.322 1.135 -4.528 1.00 0.00 C ATOM 0 H PHE A 134 -14.067 2.233 0.490 1.00 0.00 H new ATOM 0 HA PHE A 134 -14.869 -0.600 0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -12.401 0.872 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -12.752 -0.826 -1.047 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -14.470 2.476 -1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -13.606 -1.394 -3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -15.680 3.037 -3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -14.813 -0.836 -5.177 1.00 0.00 H new ATOM 0 HZ PHE A 134 -15.853 1.381 -5.436 1.00 0.00 H new ATOM 660 N HIS A 135 -13.379 -1.436 2.037 1.00 0.00 N ATOM 661 CA HIS A 135 -12.614 -1.877 3.196 1.00 0.00 C ATOM 662 C HIS A 135 -11.461 -2.786 2.781 1.00 0.00 C ATOM 663 O HIS A 135 -11.654 -3.767 2.061 1.00 0.00 O ATOM 664 CB HIS A 135 -13.523 -2.598 4.197 1.00 0.00 C ATOM 665 CG HIS A 135 -14.297 -3.734 3.604 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.211 -3.571 2.584 1.00 0.00 N ATOM 667 CD2 HIS A 135 -14.292 -5.057 3.895 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.734 -4.744 2.274 1.00 0.00 C ATOM 669 NE2 HIS A 135 -15.194 -5.660 3.054 1.00 0.00 N ATOM 0 H HIS A 135 -14.017 -2.135 1.657 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.194 -0.993 3.676 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.915 -2.976 5.019 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -14.222 -1.878 4.622 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.691 -5.546 4.648 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.478 -4.922 1.511 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -15.412 -6.656 3.035 1.00 0.00 H new ATOM 678 N LEU A 136 -10.262 -2.445 3.241 1.00 0.00 N ATOM 679 CA LEU A 136 -9.065 -3.216 2.929 1.00 0.00 C ATOM 680 C LEU A 136 -9.070 -4.544 3.679 1.00 0.00 C ATOM 681 O LEU A 136 -9.287 -4.583 4.890 1.00 0.00 O ATOM 682 CB LEU A 136 -7.819 -2.401 3.283 1.00 0.00 C ATOM 683 CG LEU A 136 -6.480 -3.100 3.045 1.00 0.00 C ATOM 684 CD1 LEU A 136 -6.400 -3.659 1.634 1.00 0.00 C ATOM 685 CD2 LEU A 136 -5.337 -2.134 3.302 1.00 0.00 C ATOM 0 H LEU A 136 -10.093 -1.633 3.836 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.053 -3.433 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.834 -1.478 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.879 -2.118 4.334 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.399 -3.936 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.438 -4.151 1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.202 -4.381 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -6.502 -2.847 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -4.387 -2.640 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.422 -1.282 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -5.381 -1.785 4.334 1.00 0.00 H new ATOM 697 N VAL A 137 -8.844 -5.634 2.949 1.00 0.00 N ATOM 698 CA VAL A 137 -8.842 -6.964 3.548 1.00 0.00 C ATOM 699 C VAL A 137 -7.663 -7.804 3.058 1.00 0.00 C ATOM 700 O VAL A 137 -7.853 -8.788 2.342 1.00 0.00 O ATOM 701 CB VAL A 137 -10.151 -7.717 3.231 1.00 0.00 C ATOM 702 CG1 VAL A 137 -10.219 -9.030 3.997 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.360 -6.848 3.541 1.00 0.00 C ATOM 0 H VAL A 137 -8.661 -5.622 1.946 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.752 -6.819 4.625 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.161 -7.946 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -11.150 -9.543 3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.375 -9.660 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -10.180 -8.829 5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.272 -7.398 3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -11.355 -6.581 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.321 -5.941 2.937 1.00 0.00 H new ATOM 713 N GLY A 138 -6.445 -7.425 3.438 1.00 0.00 N ATOM 714 CA GLY A 138 -5.290 -8.188 3.007 1.00 0.00 C ATOM 715 C GLY A 138 -3.988 -7.690 3.594 1.00 0.00 C ATOM 716 O GLY A 138 -3.907 -7.398 4.787 1.00 0.00 O ATOM 0 H GLY A 138 -6.241 -6.617 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.429 -9.233 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.226 -8.154 1.919 1.00 0.00 H new ATOM 720 N SER A 139 -2.968 -7.606 2.748 1.00 0.00 N ATOM 721 CA SER A 139 -1.650 -7.150 3.157 1.00 0.00 C ATOM 722 C SER A 139 -1.637 -5.639 3.359 1.00 0.00 C ATOM 723 O SER A 139 -0.874 -4.919 2.714 1.00 0.00 O ATOM 724 CB SER A 139 -0.627 -7.549 2.103 1.00 0.00 C ATOM 725 OG SER A 139 -0.969 -7.013 0.839 1.00 0.00 O ATOM 0 H SER A 139 -3.034 -7.852 1.760 1.00 0.00 H new ATOM 0 HA SER A 139 -1.395 -7.619 4.107 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.361 -7.195 2.397 1.00 0.00 H new ATOM 0 HB3 SER A 139 -0.570 -8.636 2.038 1.00 0.00 H new ATOM 0 HG SER A 139 -0.240 -7.179 0.205 1.00 0.00 H new ATOM 731 N SER A 140 -2.497 -5.170 4.251 1.00 0.00 N ATOM 732 CA SER A 140 -2.614 -3.751 4.548 1.00 0.00 C ATOM 733 C SER A 140 -1.258 -3.129 4.885 1.00 0.00 C ATOM 734 O SER A 140 -1.024 -1.953 4.609 1.00 0.00 O ATOM 735 CB SER A 140 -3.598 -3.550 5.702 1.00 0.00 C ATOM 736 OG SER A 140 -3.780 -2.175 5.986 1.00 0.00 O ATOM 0 H SER A 140 -3.132 -5.761 4.788 1.00 0.00 H new ATOM 0 HA SER A 140 -2.988 -3.245 3.658 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.557 -4.002 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 140 -3.230 -4.062 6.591 1.00 0.00 H new ATOM 0 HG SER A 140 -4.414 -2.075 6.726 1.00 0.00 H new ATOM 742 N ARG A 141 -0.369 -3.919 5.481 1.00 0.00 N ATOM 743 CA ARG A 141 0.958 -3.429 5.852 1.00 0.00 C ATOM 744 C ARG A 141 2.009 -3.844 4.823 1.00 0.00 C ATOM 745 O ARG A 141 2.025 -4.985 4.365 1.00 0.00 O ATOM 746 CB ARG A 141 1.348 -3.950 7.238 1.00 0.00 C ATOM 747 CG ARG A 141 1.379 -5.467 7.334 1.00 0.00 C ATOM 748 CD ARG A 141 1.758 -5.948 8.730 1.00 0.00 C ATOM 749 NE ARG A 141 0.789 -5.540 9.749 1.00 0.00 N ATOM 750 CZ ARG A 141 0.784 -4.346 10.339 1.00 0.00 C ATOM 751 NH1 ARG A 141 1.736 -3.461 10.071 1.00 0.00 N ATOM 752 NH2 ARG A 141 -0.165 -4.042 11.215 1.00 0.00 N ATOM 0 H ARG A 141 -0.541 -4.896 5.717 1.00 0.00 H new ATOM 0 HA ARG A 141 0.918 -2.340 5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 141 2.331 -3.558 7.501 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.643 -3.562 7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 141 0.400 -5.866 7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 141 2.092 -5.861 6.610 1.00 0.00 H new ATOM 0 HD2 ARG A 141 1.839 -7.035 8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 141 2.741 -5.556 8.991 1.00 0.00 H new ATOM 0 HE ARG A 141 0.073 -6.212 10.024 1.00 0.00 H new ATOM 0 HH11 ARG A 141 2.477 -3.694 9.410 1.00 0.00 H new ATOM 0 HH12 ARG A 141 1.727 -2.548 10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.891 -4.723 11.437 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -0.168 -3.127 11.667 1.00 0.00 H new ATOM 766 N SER A 142 2.885 -2.905 4.465 1.00 0.00 N ATOM 767 CA SER A 142 3.944 -3.159 3.486 1.00 0.00 C ATOM 768 C SER A 142 5.164 -2.290 3.786 1.00 0.00 C ATOM 769 O SER A 142 5.032 -1.189 4.323 1.00 0.00 O ATOM 770 CB SER A 142 3.438 -2.871 2.072 1.00 0.00 C ATOM 771 OG SER A 142 4.441 -3.134 1.106 1.00 0.00 O ATOM 0 H SER A 142 2.882 -1.957 4.840 1.00 0.00 H new ATOM 0 HA SER A 142 4.232 -4.208 3.553 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.560 -3.483 1.865 1.00 0.00 H new ATOM 0 HB3 SER A 142 3.124 -1.830 2.000 1.00 0.00 H new ATOM 0 HG SER A 142 4.155 -3.873 0.530 1.00 0.00 H new ATOM 777 N VAL A 143 6.353 -2.788 3.452 1.00 0.00 N ATOM 778 CA VAL A 143 7.585 -2.045 3.705 1.00 0.00 C ATOM 779 C VAL A 143 8.616 -2.264 2.598 1.00 0.00 C ATOM 780 O VAL A 143 8.837 -3.390 2.151 1.00 0.00 O ATOM 781 CB VAL A 143 8.206 -2.443 5.060 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.484 -3.936 5.107 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.475 -1.648 5.325 1.00 0.00 C ATOM 0 H VAL A 143 6.489 -3.696 3.009 1.00 0.00 H new ATOM 0 HA VAL A 143 7.314 -0.989 3.727 1.00 0.00 H new ATOM 0 HB VAL A 143 7.488 -2.207 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.922 -4.194 6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.551 -4.484 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.179 -4.202 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.896 -1.945 6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.199 -1.845 4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.240 -0.584 5.345 1.00 0.00 H new ATOM 793 N CYS A 144 9.245 -1.173 2.168 1.00 0.00 N ATOM 794 CA CYS A 144 10.261 -1.226 1.118 1.00 0.00 C ATOM 795 C CYS A 144 11.500 -1.981 1.593 1.00 0.00 C ATOM 796 O CYS A 144 11.807 -1.997 2.785 1.00 0.00 O ATOM 797 CB CYS A 144 10.646 0.192 0.684 1.00 0.00 C ATOM 798 SG CYS A 144 11.974 0.262 -0.562 1.00 0.00 S ATOM 0 H CYS A 144 9.068 -0.237 2.532 1.00 0.00 H new ATOM 0 HA CYS A 144 9.841 -1.760 0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.762 0.689 0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.959 0.756 1.563 1.00 0.00 H new ATOM 803 N SER A 145 12.208 -2.608 0.656 1.00 0.00 N ATOM 804 CA SER A 145 13.411 -3.366 0.988 1.00 0.00 C ATOM 805 C SER A 145 14.392 -3.386 -0.190 1.00 0.00 C ATOM 806 O SER A 145 14.620 -2.359 -0.830 1.00 0.00 O ATOM 807 CB SER A 145 13.033 -4.793 1.399 1.00 0.00 C ATOM 808 OG SER A 145 14.163 -5.512 1.862 1.00 0.00 O ATOM 0 H SER A 145 11.970 -2.606 -0.336 1.00 0.00 H new ATOM 0 HA SER A 145 13.907 -2.876 1.826 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.275 -4.760 2.182 1.00 0.00 H new ATOM 0 HB3 SER A 145 12.591 -5.314 0.549 1.00 0.00 H new ATOM 0 HG SER A 145 13.892 -6.418 2.119 1.00 0.00 H new ATOM 814 N GLN A 146 14.979 -4.552 -0.462 1.00 0.00 N ATOM 815 CA GLN A 146 15.943 -4.701 -1.551 1.00 0.00 C ATOM 816 C GLN A 146 15.258 -4.707 -2.917 1.00 0.00 C ATOM 817 O GLN A 146 15.264 -5.720 -3.618 1.00 0.00 O ATOM 818 CB GLN A 146 16.752 -5.987 -1.368 1.00 0.00 C ATOM 819 CG GLN A 146 17.541 -6.028 -0.069 1.00 0.00 C ATOM 820 CD GLN A 146 18.326 -7.314 0.096 1.00 0.00 C ATOM 821 OE1 GLN A 146 19.175 -7.647 -0.730 1.00 0.00 O ATOM 822 NE2 GLN A 146 18.047 -8.043 1.171 1.00 0.00 N ATOM 0 H GLN A 146 14.802 -5.410 0.060 1.00 0.00 H new ATOM 0 HA GLN A 146 16.613 -3.842 -1.517 1.00 0.00 H new ATOM 0 HB2 GLN A 146 16.075 -6.840 -1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 146 17.441 -6.096 -2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 146 18.227 -5.181 -0.038 1.00 0.00 H new ATOM 0 HG3 GLN A 146 16.856 -5.914 0.771 1.00 0.00 H new ATOM 0 HE21 GLN A 146 17.335 -7.728 1.830 1.00 0.00 H new ATOM 0 HE22 GLN A 146 18.545 -8.917 1.337 1.00 0.00 H new ATOM 831 N GLY A 147 14.675 -3.574 -3.294 1.00 0.00 N ATOM 832 CA GLY A 147 14.001 -3.476 -4.576 1.00 0.00 C ATOM 833 C GLY A 147 12.767 -4.352 -4.655 1.00 0.00 C ATOM 834 O GLY A 147 12.532 -5.018 -5.664 1.00 0.00 O ATOM 0 H GLY A 147 14.657 -2.721 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.718 -2.439 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.694 -3.758 -5.369 1.00 0.00 H new ATOM 838 N GLN A 148 11.976 -4.344 -3.588 1.00 0.00 N ATOM 839 CA GLN A 148 10.753 -5.136 -3.528 1.00 0.00 C ATOM 840 C GLN A 148 10.005 -4.865 -2.229 1.00 0.00 C ATOM 841 O GLN A 148 10.615 -4.730 -1.167 1.00 0.00 O ATOM 842 CB GLN A 148 11.067 -6.629 -3.648 1.00 0.00 C ATOM 843 CG GLN A 148 11.996 -7.152 -2.563 1.00 0.00 C ATOM 844 CD GLN A 148 12.265 -8.642 -2.679 1.00 0.00 C ATOM 845 OE1 GLN A 148 11.651 -9.287 -3.667 1.00 0.00 O flip ATOM 846 NE2 GLN A 148 13.016 -9.209 -1.887 1.00 0.00 N flip ATOM 0 H GLN A 148 12.161 -3.795 -2.749 1.00 0.00 H new ATOM 0 HA GLN A 148 10.121 -4.845 -4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.133 -7.191 -3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.519 -6.818 -4.622 1.00 0.00 H new ATOM 0 HG2 GLN A 148 12.942 -6.613 -2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 148 11.559 -6.942 -1.587 1.00 0.00 H new ATOM 0 HE21 GLN A 148 13.468 -8.677 -1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 148 13.187 -10.211 -1.974 1.00 0.00 H new ATOM 855 N TRP A 149 8.683 -4.780 -2.318 1.00 0.00 N ATOM 856 CA TRP A 149 7.859 -4.518 -1.147 1.00 0.00 C ATOM 857 C TRP A 149 7.566 -5.812 -0.395 1.00 0.00 C ATOM 858 O TRP A 149 7.363 -6.864 -1.003 1.00 0.00 O ATOM 859 CB TRP A 149 6.555 -3.829 -1.554 1.00 0.00 C ATOM 860 CG TRP A 149 6.773 -2.526 -2.267 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.319 -2.344 -3.508 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.465 -1.218 -1.771 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.361 -1.006 -3.813 1.00 0.00 N ATOM 864 CE2 TRP A 149 6.845 -0.294 -2.763 1.00 0.00 C ATOM 865 CE3 TRP A 149 5.904 -0.739 -0.584 1.00 0.00 C ATOM 866 CZ2 TRP A 149 6.680 1.079 -2.603 1.00 0.00 C ATOM 867 CZ3 TRP A 149 5.742 0.625 -0.427 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.129 1.520 -1.432 1.00 0.00 C ATOM 0 H TRP A 149 8.161 -4.889 -3.187 1.00 0.00 H new ATOM 0 HA TRP A 149 8.410 -3.852 -0.482 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.984 -4.497 -2.198 1.00 0.00 H new ATOM 0 HB3 TRP A 149 5.952 -3.652 -0.664 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.666 -3.137 -4.154 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.719 -0.607 -4.681 1.00 0.00 H new ATOM 0 HE3 TRP A 149 5.603 -1.422 0.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 6.977 1.772 -3.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 5.310 1.007 0.486 1.00 0.00 H new ATOM 0 HH2 TRP A 149 5.989 2.580 -1.279 1.00 0.00 H new ATOM 879 N SER A 150 7.566 -5.728 0.933 1.00 0.00 N ATOM 880 CA SER A 150 7.319 -6.891 1.780 1.00 0.00 C ATOM 881 C SER A 150 6.071 -7.649 1.344 1.00 0.00 C ATOM 882 O SER A 150 6.118 -8.860 1.131 1.00 0.00 O ATOM 883 CB SER A 150 7.180 -6.461 3.241 1.00 0.00 C ATOM 884 OG SER A 150 6.928 -7.575 4.080 1.00 0.00 O ATOM 0 H SER A 150 7.735 -4.863 1.447 1.00 0.00 H new ATOM 0 HA SER A 150 8.173 -7.560 1.677 1.00 0.00 H new ATOM 0 HB2 SER A 150 8.092 -5.958 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.368 -5.740 3.335 1.00 0.00 H new ATOM 0 HG SER A 150 6.845 -7.273 5.009 1.00 0.00 H new ATOM 890 N THR A 151 4.954 -6.940 1.220 1.00 0.00 N ATOM 891 CA THR A 151 3.705 -7.574 0.816 1.00 0.00 C ATOM 892 C THR A 151 3.095 -6.896 -0.410 1.00 0.00 C ATOM 893 O THR A 151 3.005 -5.670 -0.473 1.00 0.00 O ATOM 894 CB THR A 151 2.674 -7.547 1.955 1.00 0.00 C ATOM 895 OG1 THR A 151 2.291 -6.195 2.228 1.00 0.00 O ATOM 896 CG2 THR A 151 3.242 -8.180 3.216 1.00 0.00 C ATOM 0 H THR A 151 4.888 -5.937 1.391 1.00 0.00 H new ATOM 0 HA THR A 151 3.951 -8.606 0.567 1.00 0.00 H new ATOM 0 HB THR A 151 1.802 -8.121 1.642 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.100 -6.096 3.184 1.00 0.00 H new ATOM 0 HG21 THR A 151 2.493 -8.149 4.008 1.00 0.00 H new ATOM 0 HG22 THR A 151 3.512 -9.216 3.013 1.00 0.00 H new ATOM 0 HG23 THR A 151 4.128 -7.629 3.532 1.00 0.00 H new ATOM 904 N PRO A 152 2.654 -7.694 -1.401 1.00 0.00 N ATOM 905 CA PRO A 152 2.035 -7.172 -2.626 1.00 0.00 C ATOM 906 C PRO A 152 0.703 -6.487 -2.341 1.00 0.00 C ATOM 907 O PRO A 152 -0.016 -6.877 -1.425 1.00 0.00 O ATOM 908 CB PRO A 152 1.823 -8.421 -3.487 1.00 0.00 C ATOM 909 CG PRO A 152 1.784 -9.552 -2.518 1.00 0.00 C ATOM 910 CD PRO A 152 2.712 -9.168 -1.400 1.00 0.00 C ATOM 0 HA PRO A 152 2.654 -6.415 -3.107 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.896 -8.356 -4.056 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.631 -8.546 -4.208 1.00 0.00 H new ATOM 0 HG2 PRO A 152 0.772 -9.714 -2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 152 2.104 -10.481 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 152 2.386 -9.583 -0.446 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.725 -9.531 -1.575 1.00 0.00 H new ATOM 918 N LYS A 153 0.384 -5.459 -3.125 1.00 0.00 N ATOM 919 CA LYS A 153 -0.861 -4.714 -2.948 1.00 0.00 C ATOM 920 C LYS A 153 -2.054 -5.656 -2.783 1.00 0.00 C ATOM 921 O LYS A 153 -2.229 -6.591 -3.566 1.00 0.00 O ATOM 922 CB LYS A 153 -1.097 -3.789 -4.143 1.00 0.00 C ATOM 923 CG LYS A 153 0.058 -2.842 -4.419 1.00 0.00 C ATOM 924 CD LYS A 153 -0.238 -1.930 -5.599 1.00 0.00 C ATOM 925 CE LYS A 153 -1.369 -0.962 -5.291 1.00 0.00 C ATOM 926 NZ LYS A 153 -1.733 -0.140 -6.477 1.00 0.00 N ATOM 0 H LYS A 153 0.970 -5.123 -3.889 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.766 -4.119 -2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.278 -4.395 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.000 -3.205 -3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 153 0.255 -2.239 -3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.961 -3.418 -4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 153 0.660 -1.370 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -0.501 -2.533 -6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -2.243 -1.520 -4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -1.073 -0.307 -4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -1.843 0.854 -6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -0.983 -0.213 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.628 -0.486 -6.877 1.00 0.00 H new ATOM 940 N PRO A 154 -2.894 -5.418 -1.759 1.00 0.00 N ATOM 941 CA PRO A 154 -4.075 -6.238 -1.488 1.00 0.00 C ATOM 942 C PRO A 154 -5.240 -5.890 -2.412 1.00 0.00 C ATOM 943 O PRO A 154 -5.040 -5.605 -3.593 1.00 0.00 O ATOM 944 CB PRO A 154 -4.429 -5.906 -0.028 1.00 0.00 C ATOM 945 CG PRO A 154 -3.400 -4.922 0.443 1.00 0.00 C ATOM 946 CD PRO A 154 -2.769 -4.332 -0.783 1.00 0.00 C ATOM 0 HA PRO A 154 -3.879 -7.297 -1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.431 -5.484 0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -4.418 -6.805 0.589 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -3.860 -4.144 1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -2.651 -5.414 1.064 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.286 -3.430 -1.111 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.728 -4.058 -0.612 1.00 0.00 H new ATOM 954 N HIS A 155 -6.456 -5.906 -1.868 1.00 0.00 N ATOM 955 CA HIS A 155 -7.647 -5.583 -2.650 1.00 0.00 C ATOM 956 C HIS A 155 -8.760 -5.046 -1.753 1.00 0.00 C ATOM 957 O HIS A 155 -9.032 -5.599 -0.687 1.00 0.00 O ATOM 958 CB HIS A 155 -8.134 -6.817 -3.413 1.00 0.00 C ATOM 959 CG HIS A 155 -8.527 -7.957 -2.527 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.662 -8.544 -1.627 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.702 -8.619 -2.404 1.00 0.00 C ATOM 962 CE1 HIS A 155 -8.287 -9.519 -0.991 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.526 -9.584 -1.443 1.00 0.00 N ATOM 0 H HIS A 155 -6.641 -6.138 -0.892 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.381 -4.807 -3.367 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -8.988 -6.538 -4.031 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.346 -7.149 -4.089 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.608 -8.424 -2.958 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.858 -10.155 -0.231 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -10.237 -10.244 -1.129 1.00 0.00 H new ATOM 972 N CYS A 156 -9.400 -3.965 -2.190 1.00 0.00 N ATOM 973 CA CYS A 156 -10.483 -3.354 -1.427 1.00 0.00 C ATOM 974 C CYS A 156 -11.848 -3.787 -1.950 1.00 0.00 C ATOM 975 O CYS A 156 -12.103 -3.756 -3.155 1.00 0.00 O ATOM 976 CB CYS A 156 -10.368 -1.830 -1.467 1.00 0.00 C ATOM 977 SG CYS A 156 -8.975 -1.170 -0.497 1.00 0.00 S ATOM 0 H CYS A 156 -9.187 -3.494 -3.069 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.393 -3.694 -0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -10.260 -1.511 -2.504 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.296 -1.395 -1.095 1.00 0.00 H new ATOM 982 N GLN A 157 -12.724 -4.185 -1.034 1.00 0.00 N ATOM 983 CA GLN A 157 -14.068 -4.620 -1.395 1.00 0.00 C ATOM 984 C GLN A 157 -15.092 -3.534 -1.081 1.00 0.00 C ATOM 985 O GLN A 157 -14.985 -2.842 -0.069 1.00 0.00 O ATOM 986 CB GLN A 157 -14.427 -5.909 -0.655 1.00 0.00 C ATOM 987 CG GLN A 157 -13.454 -7.050 -0.913 1.00 0.00 C ATOM 988 CD GLN A 157 -13.832 -8.329 -0.189 1.00 0.00 C ATOM 989 OE1 GLN A 157 -14.947 -8.303 0.535 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -13.128 -9.334 -0.279 1.00 0.00 N flip ATOM 0 H GLN A 157 -12.527 -4.215 -0.034 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.086 -4.812 -2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.461 -5.706 0.415 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.428 -6.222 -0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -13.409 -7.246 -1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -12.455 -6.745 -0.602 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -12.280 -9.313 -0.845 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -13.393 -10.188 0.212 1.00 0.00 H new ATOM 999 N VAL A 158 -16.089 -3.395 -1.949 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.134 -2.403 -1.760 1.00 0.00 C ATOM 1001 C VAL A 158 -18.112 -2.867 -0.691 1.00 0.00 C ATOM 1002 O VAL A 158 -18.512 -4.031 -0.669 1.00 0.00 O ATOM 1003 CB VAL A 158 -17.900 -2.127 -3.070 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.517 -3.407 -3.614 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -18.964 -1.062 -2.857 1.00 0.00 C ATOM 0 H VAL A 158 -16.193 -3.960 -2.792 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.653 -1.478 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.189 -1.754 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.052 -3.189 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -17.730 -4.134 -3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.212 -3.816 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -19.492 -0.883 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -19.672 -1.401 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -18.492 -0.138 -2.524 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.487 -1.960 0.199 1.00 0.00 N ATOM 1016 CA ASN A 159 -19.410 -2.302 1.268 1.00 0.00 C ATOM 1017 C ASN A 159 -20.749 -2.764 0.704 1.00 0.00 C ATOM 1018 O ASN A 159 -21.372 -3.657 1.317 1.00 0.00 O ATOM 1019 CB ASN A 159 -19.621 -1.108 2.205 1.00 0.00 C ATOM 1020 CG ASN A 159 -18.348 -0.666 2.908 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -17.236 -1.333 2.616 1.00 0.00 O flip ATOM 1022 ND2 ASN A 159 -18.365 0.271 3.706 1.00 0.00 N flip ATOM 1023 OXT ASN A 159 -21.164 -2.231 -0.346 1.00 0.00 O ATOM 0 H ASN A 159 -18.169 -0.991 0.202 1.00 0.00 H new ATOM 0 HA ASN A 159 -18.971 -3.122 1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -20.021 -0.271 1.632 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.369 -1.369 2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -19.240 0.757 3.903 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -17.504 0.561 4.170 1.00 0.00 H new