USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 730 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 26 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 27 GLN : amide:sc= -2.23 K(o=-2.2,f=-4.9!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -131:sc= -0.496 (180deg=-0.257) USER MOD Set 2.2: A 11 ASN : amide:sc= -4.56! C(o=-5.1!,f=-14!) USER MOD Single : A 10 SER OG : rot 5:sc= 1.21 USER MOD Single : A 19 CYS SG : rot 4:sc= -3.76! USER MOD Single : A 21 MET CE :methyl 180:sc= -1.63 (180deg=-1.63) USER MOD Single : A 22 SER OG : rot 18:sc= 1 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -6.91! C(o=-6.9!,f=-7.3!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.34) USER MOD Single : A 46 ASN : amide:sc= -2.7! C(o=-2.7!,f=-4.1!) USER MOD Single : A 51 THR OG1 : rot -120:sc= 0.989 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 180:sc= -0.144 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.2) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.06 K(o=-1.1,f=-1.8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.0947 X(o=-0.095,f=-0.41) USER MOD Single : A 76 LYS NZ :NH3+ -175:sc= -1.38 (180deg=-1.64) USER MOD Single : A 83 CYS SG : rot 54:sc= -3.78! USER MOD Single : A 85 LYS NZ :NH3+ 122:sc= -0.123 (180deg=-0.558) USER MOD Single : A 86 THR OG1 : rot -79:sc= 1.25 USER MOD Single : A 87 LYS NZ :NH3+ -157:sc= 0.153 (180deg=-0.102) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0607 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -155:sc= -0.813 (180deg=-3.69!) USER MOD Single : A 99 HIS : no HD1:sc= -0.0772 X(o=-0.077,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -8.414 19.620 -4.302 1.00 0.00 N ATOM 67 CA LYS A 8 -7.302 18.768 -3.897 1.00 0.00 C ATOM 68 C LYS A 8 -6.535 19.390 -2.734 1.00 0.00 C ATOM 69 O LYS A 8 -6.361 20.607 -2.673 1.00 0.00 O ATOM 70 CB LYS A 8 -6.356 18.534 -5.077 1.00 0.00 C ATOM 71 CG LYS A 8 -6.736 17.337 -5.932 1.00 0.00 C ATOM 72 CD LYS A 8 -5.998 17.344 -7.260 1.00 0.00 C ATOM 73 CE LYS A 8 -4.671 16.606 -7.165 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.563 17.511 -6.753 1.00 0.00 N ATOM 0 HA LYS A 8 -7.710 17.812 -3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.341 19.427 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.344 18.393 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.509 16.417 -5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.811 17.344 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.620 16.879 -8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.822 18.373 -7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.760 15.790 -6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.434 16.158 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.755 17.385 -7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.887 18.498 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.272 17.283 -5.781 1.00 0.00 H new ATOM 88 N ILE A 9 -6.079 18.547 -1.814 1.00 0.00 N ATOM 89 CA ILE A 9 -5.329 19.014 -0.655 1.00 0.00 C ATOM 90 C ILE A 9 -3.858 19.223 -1.000 1.00 0.00 C ATOM 91 O ILE A 9 -3.200 20.105 -0.449 1.00 0.00 O ATOM 92 CB ILE A 9 -5.434 18.024 0.520 1.00 0.00 C ATOM 93 CG1 ILE A 9 -6.894 17.853 0.942 1.00 0.00 C ATOM 94 CG2 ILE A 9 -4.590 18.502 1.692 1.00 0.00 C ATOM 95 CD1 ILE A 9 -7.631 16.793 0.154 1.00 0.00 C ATOM 0 H ILE A 9 -6.216 17.537 -1.849 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.769 19.966 -0.357 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.054 17.055 0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.930 17.598 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.411 18.806 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.674 17.792 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.547 18.577 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.943 19.480 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.660 16.727 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.627 17.057 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.138 15.830 0.290 1.00 0.00 H new ATOM 107 N SER A 10 -3.349 18.405 -1.915 1.00 0.00 N ATOM 108 CA SER A 10 -1.954 18.498 -2.333 1.00 0.00 C ATOM 109 C SER A 10 -1.705 17.662 -3.584 1.00 0.00 C ATOM 110 O SER A 10 -2.598 16.969 -4.069 1.00 0.00 O ATOM 111 CB SER A 10 -1.030 18.036 -1.204 1.00 0.00 C ATOM 112 OG SER A 10 -0.932 19.021 -0.190 1.00 0.00 O ATOM 0 H SER A 10 -3.881 17.670 -2.381 1.00 0.00 H new ATOM 0 HA SER A 10 -1.738 19.541 -2.566 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.408 17.107 -0.778 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.039 17.823 -1.605 1.00 0.00 H new ATOM 0 HG SER A 10 -1.541 19.761 -0.393 1.00 0.00 H new ATOM 118 N ASN A 11 -0.483 17.734 -4.103 1.00 0.00 N ATOM 119 CA ASN A 11 -0.115 16.985 -5.298 1.00 0.00 C ATOM 120 C ASN A 11 1.158 16.178 -5.064 1.00 0.00 C ATOM 121 O ASN A 11 1.874 15.841 -6.007 1.00 0.00 O ATOM 122 CB ASN A 11 0.082 17.936 -6.481 1.00 0.00 C ATOM 123 CG ASN A 11 -0.848 19.133 -6.421 1.00 0.00 C ATOM 124 OD1 ASN A 11 -1.848 19.121 -5.703 1.00 0.00 O ATOM 125 ND2 ASN A 11 -0.521 20.174 -7.177 1.00 0.00 N ATOM 0 H ASN A 11 0.269 18.304 -3.714 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.926 16.293 -5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.115 18.282 -6.497 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.087 17.394 -7.412 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.108 21.008 -7.178 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.317 20.140 -7.757 1.00 0.00 H new ATOM 132 N ILE A 12 1.433 15.871 -3.801 1.00 0.00 N ATOM 133 CA ILE A 12 2.619 15.102 -3.443 1.00 0.00 C ATOM 134 C ILE A 12 2.672 13.785 -4.209 1.00 0.00 C ATOM 135 O ILE A 12 3.750 13.285 -4.532 1.00 0.00 O ATOM 136 CB ILE A 12 2.662 14.805 -1.932 1.00 0.00 C ATOM 137 CG1 ILE A 12 1.379 14.099 -1.491 1.00 0.00 C ATOM 138 CG2 ILE A 12 2.861 16.092 -1.145 1.00 0.00 C ATOM 139 CD1 ILE A 12 1.351 13.759 -0.018 1.00 0.00 C ATOM 0 H ILE A 12 0.851 16.143 -3.009 1.00 0.00 H new ATOM 0 HA ILE A 12 3.483 15.711 -3.711 1.00 0.00 H new ATOM 0 HB ILE A 12 3.505 14.144 -1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.525 14.735 -1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.261 13.183 -2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.889 15.866 -0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.800 16.559 -1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.036 16.775 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.412 13.261 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.184 13.097 0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.437 14.674 0.568 1.00 0.00 H new ATOM 151 N PHE A 13 1.501 13.228 -4.500 1.00 0.00 N ATOM 152 CA PHE A 13 1.413 11.969 -5.230 1.00 0.00 C ATOM 153 C PHE A 13 1.166 12.217 -6.715 1.00 0.00 C ATOM 154 O PHE A 13 0.651 11.352 -7.422 1.00 0.00 O ATOM 155 CB PHE A 13 0.294 11.098 -4.655 1.00 0.00 C ATOM 156 CG PHE A 13 0.426 10.850 -3.179 1.00 0.00 C ATOM 157 CD1 PHE A 13 1.671 10.856 -2.571 1.00 0.00 C ATOM 158 CD2 PHE A 13 -0.695 10.612 -2.400 1.00 0.00 C ATOM 159 CE1 PHE A 13 1.795 10.629 -1.213 1.00 0.00 C ATOM 160 CE2 PHE A 13 -0.577 10.385 -1.042 1.00 0.00 C ATOM 161 CZ PHE A 13 0.670 10.392 -0.448 1.00 0.00 C ATOM 0 H PHE A 13 0.600 13.629 -4.241 1.00 0.00 H new ATOM 0 HA PHE A 13 2.364 11.447 -5.119 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.665 11.577 -4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.285 10.141 -5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.554 11.040 -3.165 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.672 10.604 -2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.771 10.637 -0.751 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.459 10.202 -0.446 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.765 10.212 0.613 1.00 0.00 H new ATOM 171 N GLU A 14 1.538 13.406 -7.180 1.00 0.00 N ATOM 172 CA GLU A 14 1.356 13.769 -8.580 1.00 0.00 C ATOM 173 C GLU A 14 2.013 12.742 -9.498 1.00 0.00 C ATOM 174 O GLU A 14 3.198 12.438 -9.361 1.00 0.00 O ATOM 175 CB GLU A 14 1.940 15.157 -8.850 1.00 0.00 C ATOM 176 CG GLU A 14 1.716 15.646 -10.272 1.00 0.00 C ATOM 177 CD GLU A 14 2.607 16.818 -10.633 1.00 0.00 C ATOM 178 OE1 GLU A 14 3.757 16.580 -11.060 1.00 0.00 O ATOM 179 OE2 GLU A 14 2.156 17.974 -10.488 1.00 0.00 O ATOM 0 H GLU A 14 1.967 14.133 -6.608 1.00 0.00 H new ATOM 0 HA GLU A 14 0.286 13.786 -8.788 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.496 15.870 -8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.011 15.137 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.900 14.827 -10.967 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.673 15.937 -10.392 1.00 0.00 H new ATOM 186 N ASP A 15 1.234 12.210 -10.434 1.00 0.00 N ATOM 187 CA ASP A 15 1.738 11.218 -11.376 1.00 0.00 C ATOM 188 C ASP A 15 2.220 9.969 -10.643 1.00 0.00 C ATOM 189 O ASP A 15 3.230 9.371 -11.013 1.00 0.00 O ATOM 190 CB ASP A 15 2.878 11.807 -12.209 1.00 0.00 C ATOM 191 CG ASP A 15 3.091 11.057 -13.510 1.00 0.00 C ATOM 192 OD1 ASP A 15 2.146 11.002 -14.325 1.00 0.00 O ATOM 193 OD2 ASP A 15 4.203 10.527 -13.713 1.00 0.00 O ATOM 0 H ASP A 15 0.251 12.450 -10.560 1.00 0.00 H new ATOM 0 HA ASP A 15 0.921 10.936 -12.040 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.662 12.853 -12.427 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.799 11.786 -11.626 1.00 0.00 H new ATOM 198 N VAL A 16 1.491 9.582 -9.601 1.00 0.00 N ATOM 199 CA VAL A 16 1.844 8.405 -8.816 1.00 0.00 C ATOM 200 C VAL A 16 0.665 7.444 -8.707 1.00 0.00 C ATOM 201 O VAL A 16 -0.422 7.827 -8.276 1.00 0.00 O ATOM 202 CB VAL A 16 2.308 8.794 -7.400 1.00 0.00 C ATOM 203 CG1 VAL A 16 2.787 7.567 -6.639 1.00 0.00 C ATOM 204 CG2 VAL A 16 3.401 9.849 -7.469 1.00 0.00 C ATOM 0 H VAL A 16 0.652 10.066 -9.281 1.00 0.00 H new ATOM 0 HA VAL A 16 2.665 7.911 -9.336 1.00 0.00 H new ATOM 0 HB VAL A 16 1.460 9.217 -6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.111 7.861 -5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.972 6.848 -6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.622 7.111 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.717 10.112 -6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.252 9.455 -8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.018 10.737 -7.972 1.00 0.00 H new ATOM 214 N GLU A 17 0.890 6.194 -9.100 1.00 0.00 N ATOM 215 CA GLU A 17 -0.155 5.178 -9.046 1.00 0.00 C ATOM 216 C GLU A 17 -0.166 4.480 -7.689 1.00 0.00 C ATOM 217 O GLU A 17 0.856 4.412 -7.005 1.00 0.00 O ATOM 218 CB GLU A 17 0.047 4.148 -10.160 1.00 0.00 C ATOM 219 CG GLU A 17 -1.247 3.521 -10.651 1.00 0.00 C ATOM 220 CD GLU A 17 -1.868 4.290 -11.800 1.00 0.00 C ATOM 221 OE1 GLU A 17 -1.588 5.501 -11.925 1.00 0.00 O ATOM 222 OE2 GLU A 17 -2.635 3.681 -12.575 1.00 0.00 O ATOM 0 H GLU A 17 1.785 5.861 -9.459 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.116 5.673 -9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.550 4.627 -11.000 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.709 3.360 -9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.053 2.496 -10.968 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.958 3.470 -9.826 1.00 0.00 H new ATOM 229 N PHE A 18 -1.329 3.965 -7.305 1.00 0.00 N ATOM 230 CA PHE A 18 -1.475 3.274 -6.029 1.00 0.00 C ATOM 231 C PHE A 18 -2.426 2.087 -6.159 1.00 0.00 C ATOM 232 O PHE A 18 -3.418 2.150 -6.885 1.00 0.00 O ATOM 233 CB PHE A 18 -1.988 4.239 -4.958 1.00 0.00 C ATOM 234 CG PHE A 18 -1.087 5.418 -4.732 1.00 0.00 C ATOM 235 CD1 PHE A 18 -1.135 6.516 -5.575 1.00 0.00 C ATOM 236 CD2 PHE A 18 -0.190 5.429 -3.676 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.307 7.604 -5.370 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.641 6.513 -3.465 1.00 0.00 C ATOM 239 CZ PHE A 18 0.583 7.602 -4.314 1.00 0.00 C ATOM 0 H PHE A 18 -2.184 4.013 -7.859 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.495 2.901 -5.732 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.976 4.597 -5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.107 3.698 -4.019 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.828 6.522 -6.403 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.140 4.580 -3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.356 8.454 -6.034 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.335 6.509 -2.638 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.232 8.450 -4.152 1.00 0.00 H new ATOM 249 N CYS A 19 -2.114 1.008 -5.451 1.00 0.00 N ATOM 250 CA CYS A 19 -2.939 -0.195 -5.487 1.00 0.00 C ATOM 251 C CYS A 19 -3.168 -0.740 -4.081 1.00 0.00 C ATOM 252 O CYS A 19 -2.268 -1.325 -3.477 1.00 0.00 O ATOM 253 CB CYS A 19 -2.281 -1.264 -6.361 1.00 0.00 C ATOM 254 SG CYS A 19 -0.494 -1.408 -6.131 1.00 0.00 S ATOM 0 H CYS A 19 -1.296 0.941 -4.845 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.905 0.070 -5.916 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -2.743 -2.228 -6.147 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.485 -1.038 -7.408 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.113 -0.608 -5.180 1.00 0.00 H new ATOM 260 N VAL A 20 -4.377 -0.543 -3.565 1.00 0.00 N ATOM 261 CA VAL A 20 -4.724 -1.015 -2.230 1.00 0.00 C ATOM 262 C VAL A 20 -5.403 -2.378 -2.288 1.00 0.00 C ATOM 263 O VAL A 20 -6.332 -2.588 -3.067 1.00 0.00 O ATOM 264 CB VAL A 20 -5.653 -0.021 -1.508 1.00 0.00 C ATOM 265 CG1 VAL A 20 -6.115 -0.592 -0.176 1.00 0.00 C ATOM 266 CG2 VAL A 20 -4.952 1.315 -1.309 1.00 0.00 C ATOM 0 H VAL A 20 -5.132 -0.060 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.792 -1.101 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.533 0.144 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.770 0.124 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.657 -1.522 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.249 -0.788 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.623 2.005 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.054 1.169 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.676 1.729 -2.279 1.00 0.00 H new ATOM 276 N MET A 21 -4.933 -3.303 -1.456 1.00 0.00 N ATOM 277 CA MET A 21 -5.497 -4.647 -1.412 1.00 0.00 C ATOM 278 C MET A 21 -6.440 -4.802 -0.223 1.00 0.00 C ATOM 279 O MET A 21 -7.486 -5.443 -0.327 1.00 0.00 O ATOM 280 CB MET A 21 -4.380 -5.689 -1.331 1.00 0.00 C ATOM 281 CG MET A 21 -3.475 -5.706 -2.552 1.00 0.00 C ATOM 282 SD MET A 21 -4.328 -6.259 -4.041 1.00 0.00 S ATOM 283 CE MET A 21 -3.555 -5.221 -5.279 1.00 0.00 C ATOM 0 H MET A 21 -4.164 -3.146 -0.804 1.00 0.00 H new ATOM 0 HA MET A 21 -6.066 -4.806 -2.328 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.777 -5.495 -0.444 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.824 -6.676 -1.204 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.075 -4.705 -2.717 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.625 -6.361 -2.360 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.978 -5.446 -6.258 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.734 -4.173 -5.038 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.482 -5.412 -5.295 1.00 0.00 H new ATOM 293 N SER A 22 -6.064 -4.211 0.907 1.00 0.00 N ATOM 294 CA SER A 22 -6.874 -4.287 2.116 1.00 0.00 C ATOM 295 C SER A 22 -6.505 -3.170 3.089 1.00 0.00 C ATOM 296 O SER A 22 -5.414 -2.607 3.020 1.00 0.00 O ATOM 297 CB SER A 22 -6.693 -5.647 2.792 1.00 0.00 C ATOM 298 OG SER A 22 -7.427 -6.654 2.117 1.00 0.00 O ATOM 0 H SER A 22 -5.203 -3.674 1.010 1.00 0.00 H new ATOM 0 HA SER A 22 -7.919 -4.167 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.636 -5.911 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.021 -5.587 3.830 1.00 0.00 H new ATOM 0 HG SER A 22 -7.655 -6.344 1.216 1.00 0.00 H new ATOM 304 N GLY A 23 -7.426 -2.855 3.995 1.00 0.00 N ATOM 305 CA GLY A 23 -7.180 -1.808 4.969 1.00 0.00 C ATOM 306 C GLY A 23 -7.202 -2.324 6.394 1.00 0.00 C ATOM 307 O GLY A 23 -6.871 -3.482 6.648 1.00 0.00 O ATOM 0 H GLY A 23 -8.338 -3.306 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.212 -1.349 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.933 -1.028 4.857 1.00 0.00 H new ATOM 311 N THR A 24 -7.592 -1.462 7.328 1.00 0.00 N ATOM 312 CA THR A 24 -7.654 -1.835 8.735 1.00 0.00 C ATOM 313 C THR A 24 -8.977 -1.410 9.360 1.00 0.00 C ATOM 314 O THR A 24 -9.827 -0.818 8.694 1.00 0.00 O ATOM 315 CB THR A 24 -6.496 -1.207 9.534 1.00 0.00 C ATOM 316 OG1 THR A 24 -6.532 0.219 9.410 1.00 0.00 O ATOM 317 CG2 THR A 24 -5.154 -1.730 9.044 1.00 0.00 C ATOM 0 H THR A 24 -7.870 -0.500 7.135 1.00 0.00 H new ATOM 0 HA THR A 24 -7.569 -2.921 8.778 1.00 0.00 H new ATOM 0 HB THR A 24 -6.615 -1.483 10.582 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.794 0.611 9.922 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.352 -1.272 9.623 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.118 -2.812 9.167 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.029 -1.480 7.990 1.00 0.00 H new ATOM 325 N ASP A 25 -9.145 -1.713 10.642 1.00 0.00 N ATOM 326 CA ASP A 25 -10.366 -1.360 11.358 1.00 0.00 C ATOM 327 C ASP A 25 -10.605 0.146 11.314 1.00 0.00 C ATOM 328 O ASP A 25 -11.643 0.606 10.837 1.00 0.00 O ATOM 329 CB ASP A 25 -10.287 -1.834 12.810 1.00 0.00 C ATOM 330 CG ASP A 25 -9.050 -1.320 13.520 1.00 0.00 C ATOM 331 OD1 ASP A 25 -7.939 -1.488 12.973 1.00 0.00 O ATOM 332 OD2 ASP A 25 -9.192 -0.750 14.621 1.00 0.00 O ATOM 0 H ASP A 25 -8.451 -2.202 11.207 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.202 -1.857 10.867 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.175 -1.501 13.347 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.290 -2.924 12.834 1.00 0.00 H new ATOM 337 N SER A 26 -9.639 0.909 11.815 1.00 0.00 N ATOM 338 CA SER A 26 -9.746 2.363 11.838 1.00 0.00 C ATOM 339 C SER A 26 -10.078 2.904 10.450 1.00 0.00 C ATOM 340 O SER A 26 -11.014 3.686 10.286 1.00 0.00 O ATOM 341 CB SER A 26 -8.442 2.984 12.342 1.00 0.00 C ATOM 342 OG SER A 26 -8.654 4.305 12.808 1.00 0.00 O ATOM 0 H SER A 26 -8.773 0.544 12.211 1.00 0.00 H new ATOM 0 HA SER A 26 -10.554 2.633 12.518 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.031 2.373 13.146 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.705 2.992 11.539 1.00 0.00 H new ATOM 0 HG SER A 26 -7.806 4.680 13.126 1.00 0.00 H new ATOM 348 N GLN A 27 -9.303 2.482 9.457 1.00 0.00 N ATOM 349 CA GLN A 27 -9.513 2.926 8.083 1.00 0.00 C ATOM 350 C GLN A 27 -9.868 1.749 7.180 1.00 0.00 C ATOM 351 O GLN A 27 -9.115 0.784 7.051 1.00 0.00 O ATOM 352 CB GLN A 27 -8.262 3.630 7.555 1.00 0.00 C ATOM 353 CG GLN A 27 -7.821 4.808 8.409 1.00 0.00 C ATOM 354 CD GLN A 27 -6.947 4.388 9.574 1.00 0.00 C ATOM 355 OE1 GLN A 27 -6.492 3.246 9.645 1.00 0.00 O ATOM 356 NE2 GLN A 27 -6.706 5.313 10.497 1.00 0.00 N ATOM 0 H GLN A 27 -8.525 1.834 9.577 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.346 3.629 8.078 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.447 2.909 7.497 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.452 3.979 6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.275 5.518 7.788 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.701 5.327 8.788 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.103 6.247 10.399 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.124 5.089 11.304 1.00 0.00 H new ATOM 365 N PRO A 28 -11.044 1.829 6.539 1.00 0.00 N ATOM 366 CA PRO A 28 -11.526 0.779 5.636 1.00 0.00 C ATOM 367 C PRO A 28 -10.716 0.707 4.347 1.00 0.00 C ATOM 368 O PRO A 28 -9.989 1.640 4.005 1.00 0.00 O ATOM 369 CB PRO A 28 -12.967 1.200 5.340 1.00 0.00 C ATOM 370 CG PRO A 28 -12.980 2.676 5.545 1.00 0.00 C ATOM 371 CD PRO A 28 -11.993 2.949 6.646 1.00 0.00 C ATOM 0 HA PRO A 28 -11.440 -0.212 6.081 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.254 0.939 4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.670 0.701 6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.700 3.200 4.631 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.976 3.023 5.819 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.497 3.910 6.512 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.477 2.974 7.622 1.00 0.00 H new ATOM 379 N LYS A 29 -10.846 -0.406 3.633 1.00 0.00 N ATOM 380 CA LYS A 29 -10.128 -0.600 2.379 1.00 0.00 C ATOM 381 C LYS A 29 -10.231 0.639 1.496 1.00 0.00 C ATOM 382 O LYS A 29 -9.229 1.250 1.123 1.00 0.00 O ATOM 383 CB LYS A 29 -10.681 -1.818 1.634 1.00 0.00 C ATOM 384 CG LYS A 29 -10.588 -1.699 0.122 1.00 0.00 C ATOM 385 CD LYS A 29 -10.774 -3.047 -0.555 1.00 0.00 C ATOM 386 CE LYS A 29 -10.087 -3.088 -1.911 1.00 0.00 C ATOM 387 NZ LYS A 29 -10.473 -4.296 -2.692 1.00 0.00 N ATOM 0 H LYS A 29 -11.443 -1.188 3.902 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.077 -0.771 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.138 -2.707 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.724 -1.963 1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.346 -1.003 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.618 -1.283 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.371 -3.834 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.838 -3.250 -0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.345 -2.192 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.006 -3.076 -1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.984 -4.287 -3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.204 -5.151 -2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.501 -4.295 -2.848 1.00 0.00 H new ATOM 401 N PRO A 30 -11.470 1.022 1.153 1.00 0.00 N ATOM 402 CA PRO A 30 -11.732 2.193 0.312 1.00 0.00 C ATOM 403 C PRO A 30 -11.420 3.503 1.027 1.00 0.00 C ATOM 404 O PRO A 30 -11.874 4.570 0.615 1.00 0.00 O ATOM 405 CB PRO A 30 -13.231 2.089 0.017 1.00 0.00 C ATOM 406 CG PRO A 30 -13.788 1.308 1.156 1.00 0.00 C ATOM 407 CD PRO A 30 -12.710 0.341 1.562 1.00 0.00 C ATOM 0 HA PRO A 30 -11.107 2.201 -0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.691 3.075 -0.049 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.414 1.588 -0.934 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.056 1.964 1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.695 0.780 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.727 0.147 2.634 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.824 -0.621 1.062 1.00 0.00 H new ATOM 415 N ASP A 31 -10.642 3.414 2.101 1.00 0.00 N ATOM 416 CA ASP A 31 -10.267 4.593 2.873 1.00 0.00 C ATOM 417 C ASP A 31 -9.048 5.277 2.263 1.00 0.00 C ATOM 418 O ASP A 31 -9.039 6.494 2.067 1.00 0.00 O ATOM 419 CB ASP A 31 -9.978 4.207 4.324 1.00 0.00 C ATOM 420 CG ASP A 31 -9.909 5.413 5.241 1.00 0.00 C ATOM 421 OD1 ASP A 31 -10.977 5.876 5.693 1.00 0.00 O ATOM 422 OD2 ASP A 31 -8.787 5.894 5.505 1.00 0.00 O ATOM 0 H ASP A 31 -10.259 2.538 2.456 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.102 5.293 2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.754 3.529 4.678 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.034 3.664 4.371 1.00 0.00 H new ATOM 427 N LEU A 32 -8.021 4.489 1.965 1.00 0.00 N ATOM 428 CA LEU A 32 -6.795 5.019 1.378 1.00 0.00 C ATOM 429 C LEU A 32 -7.004 5.374 -0.091 1.00 0.00 C ATOM 430 O LEU A 32 -6.339 6.260 -0.625 1.00 0.00 O ATOM 431 CB LEU A 32 -5.661 4.001 1.512 1.00 0.00 C ATOM 432 CG LEU A 32 -5.587 3.250 2.841 1.00 0.00 C ATOM 433 CD1 LEU A 32 -4.800 1.959 2.682 1.00 0.00 C ATOM 434 CD2 LEU A 32 -4.963 4.128 3.916 1.00 0.00 C ATOM 0 H LEU A 32 -8.013 3.481 2.120 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.526 5.927 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.759 3.270 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.715 4.519 1.357 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.601 2.997 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.758 1.438 3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.289 1.323 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.788 2.189 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.918 3.577 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.955 4.412 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.568 5.025 4.050 1.00 0.00 H new ATOM 446 N GLU A 33 -7.935 4.678 -0.736 1.00 0.00 N ATOM 447 CA GLU A 33 -8.232 4.921 -2.143 1.00 0.00 C ATOM 448 C GLU A 33 -8.814 6.318 -2.342 1.00 0.00 C ATOM 449 O GLU A 33 -8.399 7.053 -3.237 1.00 0.00 O ATOM 450 CB GLU A 33 -9.210 3.869 -2.671 1.00 0.00 C ATOM 451 CG GLU A 33 -8.729 2.441 -2.478 1.00 0.00 C ATOM 452 CD GLU A 33 -9.406 1.465 -3.421 1.00 0.00 C ATOM 453 OE1 GLU A 33 -10.631 1.594 -3.629 1.00 0.00 O ATOM 454 OE2 GLU A 33 -8.711 0.573 -3.951 1.00 0.00 O ATOM 0 H GLU A 33 -8.496 3.942 -0.307 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.299 4.851 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.169 3.992 -2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.382 4.045 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.651 2.401 -2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.915 2.135 -1.449 1.00 0.00 H new ATOM 461 N ASN A 34 -9.779 6.676 -1.501 1.00 0.00 N ATOM 462 CA ASN A 34 -10.420 7.983 -1.585 1.00 0.00 C ATOM 463 C ASN A 34 -9.432 9.096 -1.246 1.00 0.00 C ATOM 464 O ASN A 34 -9.225 10.017 -2.035 1.00 0.00 O ATOM 465 CB ASN A 34 -11.621 8.047 -0.639 1.00 0.00 C ATOM 466 CG ASN A 34 -11.226 8.435 0.773 1.00 0.00 C ATOM 467 OD1 ASN A 34 -10.913 9.594 1.045 1.00 0.00 O ATOM 468 ND2 ASN A 34 -11.239 7.464 1.679 1.00 0.00 N ATOM 0 H ASN A 34 -10.134 6.079 -0.754 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.764 8.126 -2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.344 8.768 -1.022 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.118 7.077 -0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.983 7.665 2.646 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.505 6.517 1.408 1.00 0.00 H new ATOM 475 N ARG A 35 -8.826 9.002 -0.067 1.00 0.00 N ATOM 476 CA ARG A 35 -7.860 10.001 0.377 1.00 0.00 C ATOM 477 C ARG A 35 -6.780 10.219 -0.678 1.00 0.00 C ATOM 478 O ARG A 35 -6.695 11.290 -1.281 1.00 0.00 O ATOM 479 CB ARG A 35 -7.219 9.569 1.697 1.00 0.00 C ATOM 480 CG ARG A 35 -8.085 9.847 2.915 1.00 0.00 C ATOM 481 CD ARG A 35 -7.241 10.111 4.151 1.00 0.00 C ATOM 482 NE ARG A 35 -8.035 10.068 5.376 1.00 0.00 N ATOM 483 CZ ARG A 35 -8.772 11.084 5.810 1.00 0.00 C ATOM 484 NH1 ARG A 35 -8.816 12.217 5.123 1.00 0.00 N ATOM 485 NH2 ARG A 35 -9.467 10.969 6.935 1.00 0.00 N ATOM 0 H ARG A 35 -8.986 8.245 0.598 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.390 10.941 0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.001 8.502 1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.266 10.085 1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.724 10.708 2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.742 8.997 3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.443 9.371 4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.764 11.087 4.062 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.023 9.211 5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.283 12.310 4.258 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.383 12.995 5.459 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.435 10.100 7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.033 11.750 7.267 1.00 0.00 H new ATOM 499 N ILE A 36 -5.957 9.199 -0.895 1.00 0.00 N ATOM 500 CA ILE A 36 -4.884 9.280 -1.878 1.00 0.00 C ATOM 501 C ILE A 36 -5.304 10.111 -3.085 1.00 0.00 C ATOM 502 O ILE A 36 -4.693 11.135 -3.389 1.00 0.00 O ATOM 503 CB ILE A 36 -4.453 7.881 -2.357 1.00 0.00 C ATOM 504 CG1 ILE A 36 -3.815 7.098 -1.208 1.00 0.00 C ATOM 505 CG2 ILE A 36 -3.487 7.996 -3.527 1.00 0.00 C ATOM 506 CD1 ILE A 36 -3.733 5.609 -1.463 1.00 0.00 C ATOM 0 H ILE A 36 -6.013 8.307 -0.403 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.040 9.763 -1.384 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.338 7.340 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.811 7.484 -1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.389 7.271 -0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.192 6.999 -3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.973 8.519 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.603 8.553 -3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.270 5.118 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.736 5.210 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.134 5.425 -2.355 1.00 0.00 H new ATOM 518 N ALA A 37 -6.353 9.665 -3.768 1.00 0.00 N ATOM 519 CA ALA A 37 -6.858 10.369 -4.939 1.00 0.00 C ATOM 520 C ALA A 37 -6.904 11.874 -4.697 1.00 0.00 C ATOM 521 O ALA A 37 -6.537 12.663 -5.567 1.00 0.00 O ATOM 522 CB ALA A 37 -8.239 9.850 -5.313 1.00 0.00 C ATOM 0 H ALA A 37 -6.870 8.818 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.175 10.181 -5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.604 10.385 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.179 8.785 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.925 10.008 -4.480 1.00 0.00 H new ATOM 528 N GLU A 38 -7.359 12.264 -3.510 1.00 0.00 N ATOM 529 CA GLU A 38 -7.454 13.676 -3.156 1.00 0.00 C ATOM 530 C GLU A 38 -6.075 14.328 -3.145 1.00 0.00 C ATOM 531 O GLU A 38 -5.931 15.508 -3.467 1.00 0.00 O ATOM 532 CB GLU A 38 -8.117 13.837 -1.786 1.00 0.00 C ATOM 533 CG GLU A 38 -9.532 13.286 -1.726 1.00 0.00 C ATOM 534 CD GLU A 38 -10.186 13.504 -0.375 1.00 0.00 C ATOM 535 OE1 GLU A 38 -9.790 12.823 0.593 1.00 0.00 O ATOM 536 OE2 GLU A 38 -11.094 14.357 -0.287 1.00 0.00 O ATOM 0 H GLU A 38 -7.667 11.623 -2.778 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.066 14.173 -3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.508 13.333 -1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.137 14.895 -1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.136 13.761 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.512 12.219 -1.948 1.00 0.00 H new ATOM 543 N PHE A 39 -5.062 13.552 -2.773 1.00 0.00 N ATOM 544 CA PHE A 39 -3.694 14.054 -2.719 1.00 0.00 C ATOM 545 C PHE A 39 -3.045 14.014 -4.100 1.00 0.00 C ATOM 546 O PHE A 39 -1.825 14.111 -4.227 1.00 0.00 O ATOM 547 CB PHE A 39 -2.866 13.231 -1.730 1.00 0.00 C ATOM 548 CG PHE A 39 -2.894 13.772 -0.329 1.00 0.00 C ATOM 549 CD1 PHE A 39 -1.999 14.753 0.068 1.00 0.00 C ATOM 550 CD2 PHE A 39 -3.817 13.300 0.591 1.00 0.00 C ATOM 551 CE1 PHE A 39 -2.023 15.251 1.356 1.00 0.00 C ATOM 552 CE2 PHE A 39 -3.846 13.796 1.881 1.00 0.00 C ATOM 553 CZ PHE A 39 -2.948 14.773 2.264 1.00 0.00 C ATOM 0 H PHE A 39 -5.163 12.573 -2.505 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.726 15.090 -2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.237 12.206 -1.723 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.833 13.194 -2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.275 15.132 -0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.521 12.536 0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.319 16.014 1.653 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.570 13.420 2.589 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.969 15.162 3.271 1.00 0.00 H new ATOM 563 N GLY A 40 -3.871 13.871 -5.132 1.00 0.00 N ATOM 564 CA GLY A 40 -3.361 13.820 -6.489 1.00 0.00 C ATOM 565 C GLY A 40 -2.703 12.493 -6.812 1.00 0.00 C ATOM 566 O GLY A 40 -1.574 12.454 -7.298 1.00 0.00 O ATOM 0 H GLY A 40 -4.885 13.790 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.179 13.996 -7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.640 14.624 -6.633 1.00 0.00 H new ATOM 570 N GLY A 41 -3.412 11.401 -6.540 1.00 0.00 N ATOM 571 CA GLY A 41 -2.873 10.081 -6.809 1.00 0.00 C ATOM 572 C GLY A 41 -3.856 9.193 -7.546 1.00 0.00 C ATOM 573 O GLY A 41 -5.064 9.426 -7.507 1.00 0.00 O ATOM 0 H GLY A 41 -4.350 11.407 -6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.962 10.177 -7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.595 9.607 -5.868 1.00 0.00 H new ATOM 577 N TYR A 42 -3.338 8.173 -8.222 1.00 0.00 N ATOM 578 CA TYR A 42 -4.178 7.250 -8.975 1.00 0.00 C ATOM 579 C TYR A 42 -4.383 5.948 -8.205 1.00 0.00 C ATOM 580 O TYR A 42 -3.450 5.417 -7.603 1.00 0.00 O ATOM 581 CB TYR A 42 -3.553 6.955 -10.339 1.00 0.00 C ATOM 582 CG TYR A 42 -4.552 6.494 -11.376 1.00 0.00 C ATOM 583 CD1 TYR A 42 -5.315 7.411 -12.090 1.00 0.00 C ATOM 584 CD2 TYR A 42 -4.734 5.143 -11.643 1.00 0.00 C ATOM 585 CE1 TYR A 42 -6.229 6.995 -13.038 1.00 0.00 C ATOM 586 CE2 TYR A 42 -5.645 4.718 -12.590 1.00 0.00 C ATOM 587 CZ TYR A 42 -6.390 5.647 -13.285 1.00 0.00 C ATOM 588 OH TYR A 42 -7.300 5.228 -14.228 1.00 0.00 O ATOM 0 H TYR A 42 -2.340 7.965 -8.264 1.00 0.00 H new ATOM 0 HA TYR A 42 -5.150 7.721 -9.122 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.053 7.853 -10.702 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.786 6.190 -10.220 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.191 8.467 -11.900 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.153 4.412 -11.100 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.814 7.721 -13.583 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.773 3.664 -12.785 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.290 4.249 -14.281 1.00 0.00 H new ATOM 598 N ILE A 43 -5.611 5.441 -8.230 1.00 0.00 N ATOM 599 CA ILE A 43 -5.940 4.202 -7.536 1.00 0.00 C ATOM 600 C ILE A 43 -6.420 3.136 -8.514 1.00 0.00 C ATOM 601 O ILE A 43 -7.355 3.359 -9.283 1.00 0.00 O ATOM 602 CB ILE A 43 -7.023 4.426 -6.465 1.00 0.00 C ATOM 603 CG1 ILE A 43 -6.550 5.456 -5.438 1.00 0.00 C ATOM 604 CG2 ILE A 43 -7.374 3.112 -5.783 1.00 0.00 C ATOM 605 CD1 ILE A 43 -5.311 5.030 -4.681 1.00 0.00 C ATOM 0 H ILE A 43 -6.394 5.869 -8.723 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.026 3.861 -7.049 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.919 4.811 -6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.349 6.399 -5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.354 5.643 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.141 3.287 -5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.749 2.406 -6.524 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.484 2.700 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.033 5.808 -3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.514 4.104 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.493 4.871 -5.383 1.00 0.00 H new ATOM 617 N VAL A 44 -5.776 1.974 -8.479 1.00 0.00 N ATOM 618 CA VAL A 44 -6.139 0.870 -9.360 1.00 0.00 C ATOM 619 C VAL A 44 -6.609 -0.340 -8.560 1.00 0.00 C ATOM 620 O VAL A 44 -6.699 -0.288 -7.334 1.00 0.00 O ATOM 621 CB VAL A 44 -4.957 0.453 -10.254 1.00 0.00 C ATOM 622 CG1 VAL A 44 -4.498 1.622 -11.113 1.00 0.00 C ATOM 623 CG2 VAL A 44 -3.810 -0.079 -9.407 1.00 0.00 C ATOM 0 H VAL A 44 -4.999 1.772 -7.849 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.954 1.224 -9.991 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.290 -0.345 -10.917 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.662 1.308 -11.738 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.321 1.953 -11.747 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.182 2.444 -10.470 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.983 -0.369 -10.055 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.476 0.697 -8.718 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.148 -0.946 -8.840 1.00 0.00 H new ATOM 633 N GLN A 45 -6.906 -1.428 -9.263 1.00 0.00 N ATOM 634 CA GLN A 45 -7.366 -2.652 -8.618 1.00 0.00 C ATOM 635 C GLN A 45 -6.238 -3.674 -8.522 1.00 0.00 C ATOM 636 O GLN A 45 -6.083 -4.347 -7.504 1.00 0.00 O ATOM 637 CB GLN A 45 -8.546 -3.247 -9.389 1.00 0.00 C ATOM 638 CG GLN A 45 -9.815 -2.416 -9.295 1.00 0.00 C ATOM 639 CD GLN A 45 -10.144 -2.012 -7.871 1.00 0.00 C ATOM 640 OE1 GLN A 45 -10.581 -2.835 -7.065 1.00 0.00 O ATOM 641 NE2 GLN A 45 -9.936 -0.740 -7.553 1.00 0.00 N ATOM 0 H GLN A 45 -6.836 -1.487 -10.279 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.690 -2.401 -7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.268 -3.353 -10.438 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.749 -4.249 -9.010 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.704 -1.520 -9.906 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.648 -2.984 -9.709 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.573 -0.092 -8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.139 -0.410 -6.609 1.00 0.00 H new ATOM 650 N ASN A 46 -5.454 -3.785 -9.590 1.00 0.00 N ATOM 651 CA ASN A 46 -4.341 -4.726 -9.626 1.00 0.00 C ATOM 652 C ASN A 46 -3.055 -4.031 -10.062 1.00 0.00 C ATOM 653 O ASN A 46 -3.049 -3.184 -10.955 1.00 0.00 O ATOM 654 CB ASN A 46 -4.655 -5.884 -10.576 1.00 0.00 C ATOM 655 CG ASN A 46 -3.479 -6.824 -10.751 1.00 0.00 C ATOM 656 OD1 ASN A 46 -2.554 -6.543 -11.514 1.00 0.00 O ATOM 657 ND2 ASN A 46 -3.509 -7.947 -10.044 1.00 0.00 N ATOM 0 H ASN A 46 -5.569 -3.235 -10.441 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.198 -5.119 -8.619 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.509 -6.443 -10.193 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.945 -5.485 -11.548 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.745 -8.618 -10.121 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.296 -8.138 -9.424 1.00 0.00 H new ATOM 664 N PRO A 47 -1.937 -4.397 -9.417 1.00 0.00 N ATOM 665 CA PRO A 47 -0.623 -3.821 -9.721 1.00 0.00 C ATOM 666 C PRO A 47 -0.099 -4.263 -11.083 1.00 0.00 C ATOM 667 O PRO A 47 -0.271 -5.414 -11.482 1.00 0.00 O ATOM 668 CB PRO A 47 0.269 -4.364 -8.602 1.00 0.00 C ATOM 669 CG PRO A 47 -0.393 -5.626 -8.168 1.00 0.00 C ATOM 670 CD PRO A 47 -1.869 -5.400 -8.341 1.00 0.00 C ATOM 0 HA PRO A 47 -0.655 -2.732 -9.768 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.282 -4.551 -8.959 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.347 -3.654 -7.778 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.055 -6.471 -8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.152 -5.856 -7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.387 -6.319 -8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.330 -5.036 -7.423 1.00 0.00 H new ATOM 678 N GLY A 48 0.543 -3.340 -11.793 1.00 0.00 N ATOM 679 CA GLY A 48 1.083 -3.654 -13.102 1.00 0.00 C ATOM 680 C GLY A 48 2.435 -3.011 -13.341 1.00 0.00 C ATOM 681 O GLY A 48 3.153 -2.659 -12.405 1.00 0.00 O ATOM 0 H GLY A 48 0.698 -2.380 -11.484 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.175 -4.735 -13.204 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.385 -3.320 -13.869 1.00 0.00 H new ATOM 685 N PRO A 49 2.801 -2.851 -14.622 1.00 0.00 N ATOM 686 CA PRO A 49 4.078 -2.247 -15.011 1.00 0.00 C ATOM 687 C PRO A 49 4.129 -0.753 -14.708 1.00 0.00 C ATOM 688 O PRO A 49 5.207 -0.179 -14.551 1.00 0.00 O ATOM 689 CB PRO A 49 4.140 -2.489 -16.521 1.00 0.00 C ATOM 690 CG PRO A 49 2.717 -2.610 -16.944 1.00 0.00 C ATOM 691 CD PRO A 49 1.995 -3.248 -15.789 1.00 0.00 C ATOM 0 HA PRO A 49 4.916 -2.677 -14.462 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.637 -1.665 -17.034 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.701 -3.394 -16.754 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.294 -1.633 -17.177 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.628 -3.218 -17.844 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.969 -2.890 -15.709 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.947 -4.332 -15.894 1.00 0.00 H new ATOM 699 N ASP A 50 2.959 -0.131 -14.627 1.00 0.00 N ATOM 700 CA ASP A 50 2.870 1.296 -14.341 1.00 0.00 C ATOM 701 C ASP A 50 2.320 1.537 -12.939 1.00 0.00 C ATOM 702 O ASP A 50 1.426 2.361 -12.743 1.00 0.00 O ATOM 703 CB ASP A 50 1.984 1.991 -15.376 1.00 0.00 C ATOM 704 CG ASP A 50 2.319 3.462 -15.531 1.00 0.00 C ATOM 705 OD1 ASP A 50 2.935 4.030 -14.606 1.00 0.00 O ATOM 706 OD2 ASP A 50 1.966 4.044 -16.578 1.00 0.00 O ATOM 0 H ASP A 50 2.058 -0.592 -14.755 1.00 0.00 H new ATOM 0 HA ASP A 50 3.875 1.715 -14.394 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.096 1.493 -16.339 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.939 1.888 -15.083 1.00 0.00 H new ATOM 711 N THR A 51 2.859 0.810 -11.964 1.00 0.00 N ATOM 712 CA THR A 51 2.421 0.942 -10.581 1.00 0.00 C ATOM 713 C THR A 51 3.594 1.260 -9.660 1.00 0.00 C ATOM 714 O THR A 51 4.740 0.923 -9.960 1.00 0.00 O ATOM 715 CB THR A 51 1.728 -0.342 -10.086 1.00 0.00 C ATOM 716 OG1 THR A 51 0.652 -0.688 -10.964 1.00 0.00 O ATOM 717 CG2 THR A 51 1.197 -0.160 -8.672 1.00 0.00 C ATOM 0 H THR A 51 3.600 0.124 -12.108 1.00 0.00 H new ATOM 0 HA THR A 51 1.707 1.765 -10.553 1.00 0.00 H new ATOM 0 HB THR A 51 2.464 -1.146 -10.080 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.190 -0.697 -10.462 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.712 -1.080 -8.344 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.023 0.074 -8.000 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.475 0.656 -8.657 1.00 0.00 H new ATOM 725 N TYR A 52 3.301 1.910 -8.540 1.00 0.00 N ATOM 726 CA TYR A 52 4.333 2.275 -7.576 1.00 0.00 C ATOM 727 C TYR A 52 4.580 1.140 -6.586 1.00 0.00 C ATOM 728 O TYR A 52 5.667 0.562 -6.547 1.00 0.00 O ATOM 729 CB TYR A 52 3.931 3.545 -6.823 1.00 0.00 C ATOM 730 CG TYR A 52 5.087 4.231 -6.132 1.00 0.00 C ATOM 731 CD1 TYR A 52 6.092 4.850 -6.865 1.00 0.00 C ATOM 732 CD2 TYR A 52 5.175 4.260 -4.746 1.00 0.00 C ATOM 733 CE1 TYR A 52 7.150 5.478 -6.238 1.00 0.00 C ATOM 734 CE2 TYR A 52 6.229 4.887 -4.110 1.00 0.00 C ATOM 735 CZ TYR A 52 7.215 5.493 -4.860 1.00 0.00 C ATOM 736 OH TYR A 52 8.267 6.119 -4.232 1.00 0.00 O ATOM 0 H TYR A 52 2.358 2.195 -8.277 1.00 0.00 H new ATOM 0 HA TYR A 52 5.256 2.462 -8.124 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.472 4.243 -7.523 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.173 3.293 -6.081 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.045 4.840 -7.944 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.406 3.784 -4.155 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.922 5.955 -6.823 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.281 4.903 -3.031 1.00 0.00 H new ATOM 0 HH TYR A 52 8.162 6.040 -3.261 1.00 0.00 H new ATOM 746 N CYS A 53 3.564 0.827 -5.790 1.00 0.00 N ATOM 747 CA CYS A 53 3.670 -0.238 -4.799 1.00 0.00 C ATOM 748 C CYS A 53 2.293 -0.629 -4.273 1.00 0.00 C ATOM 749 O CYS A 53 1.323 0.114 -4.427 1.00 0.00 O ATOM 750 CB CYS A 53 4.566 0.201 -3.641 1.00 0.00 C ATOM 751 SG CYS A 53 3.916 1.597 -2.693 1.00 0.00 S ATOM 0 H CYS A 53 2.658 1.295 -5.811 1.00 0.00 H new ATOM 0 HA CYS A 53 4.115 -1.108 -5.282 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.713 -0.644 -2.969 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.546 0.468 -4.035 1.00 0.00 H new ATOM 0 HG CYS A 53 4.743 1.893 -1.735 1.00 0.00 H new ATOM 757 N VAL A 54 2.214 -1.802 -3.651 1.00 0.00 N ATOM 758 CA VAL A 54 0.956 -2.293 -3.102 1.00 0.00 C ATOM 759 C VAL A 54 0.821 -1.929 -1.628 1.00 0.00 C ATOM 760 O VAL A 54 1.807 -1.908 -0.891 1.00 0.00 O ATOM 761 CB VAL A 54 0.834 -3.820 -3.256 1.00 0.00 C ATOM 762 CG1 VAL A 54 -0.490 -4.311 -2.690 1.00 0.00 C ATOM 763 CG2 VAL A 54 0.979 -4.221 -4.717 1.00 0.00 C ATOM 0 H VAL A 54 3.007 -2.429 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 54 0.156 -1.814 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 54 1.639 -4.290 -2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.558 -5.392 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.550 -4.057 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.313 -3.836 -3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.890 -5.304 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.196 -3.742 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.955 -3.905 -5.086 1.00 0.00 H new ATOM 773 N ILE A 55 -0.406 -1.645 -1.204 1.00 0.00 N ATOM 774 CA ILE A 55 -0.671 -1.284 0.183 1.00 0.00 C ATOM 775 C ILE A 55 -1.646 -2.263 0.829 1.00 0.00 C ATOM 776 O ILE A 55 -2.850 -2.208 0.583 1.00 0.00 O ATOM 777 CB ILE A 55 -1.242 0.142 0.295 1.00 0.00 C ATOM 778 CG1 ILE A 55 -0.340 1.135 -0.441 1.00 0.00 C ATOM 779 CG2 ILE A 55 -1.394 0.538 1.756 1.00 0.00 C ATOM 780 CD1 ILE A 55 1.009 1.328 0.217 1.00 0.00 C ATOM 0 H ILE A 55 -1.233 -1.658 -1.802 1.00 0.00 H new ATOM 0 HA ILE A 55 0.283 -1.326 0.708 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.227 0.161 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.190 0.789 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.847 2.098 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.799 1.548 1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.072 -0.156 2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.420 0.506 2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.595 2.045 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.869 1.704 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.536 0.374 0.253 1.00 0.00 H new ATOM 792 N ALA A 56 -1.117 -3.156 1.659 1.00 0.00 N ATOM 793 CA ALA A 56 -1.941 -4.144 2.345 1.00 0.00 C ATOM 794 C ALA A 56 -1.645 -4.162 3.841 1.00 0.00 C ATOM 795 O ALA A 56 -0.489 -4.239 4.254 1.00 0.00 O ATOM 796 CB ALA A 56 -1.719 -5.524 1.744 1.00 0.00 C ATOM 0 H ALA A 56 -0.121 -3.216 1.873 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.986 -3.865 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.340 -6.252 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.987 -5.508 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.670 -5.802 1.848 1.00 0.00 H new ATOM 802 N GLY A 57 -2.699 -4.090 4.648 1.00 0.00 N ATOM 803 CA GLY A 57 -2.531 -4.099 6.090 1.00 0.00 C ATOM 804 C GLY A 57 -2.363 -5.499 6.645 1.00 0.00 C ATOM 805 O GLY A 57 -1.775 -5.685 7.711 1.00 0.00 O ATOM 0 H GLY A 57 -3.666 -4.026 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.660 -3.499 6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.396 -3.628 6.556 1.00 0.00 H new ATOM 809 N SER A 58 -2.881 -6.487 5.922 1.00 0.00 N ATOM 810 CA SER A 58 -2.790 -7.877 6.352 1.00 0.00 C ATOM 811 C SER A 58 -2.237 -8.756 5.234 1.00 0.00 C ATOM 812 O SER A 58 -2.236 -8.366 4.067 1.00 0.00 O ATOM 813 CB SER A 58 -4.164 -8.390 6.787 1.00 0.00 C ATOM 814 OG SER A 58 -4.041 -9.452 7.717 1.00 0.00 O ATOM 0 H SER A 58 -3.368 -6.350 5.036 1.00 0.00 H new ATOM 0 HA SER A 58 -2.107 -7.925 7.200 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.735 -7.576 7.233 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.722 -8.729 5.914 1.00 0.00 H new ATOM 0 HG SER A 58 -4.933 -9.761 7.981 1.00 0.00 H new ATOM 820 N GLU A 59 -1.768 -9.945 5.601 1.00 0.00 N ATOM 821 CA GLU A 59 -1.212 -10.879 4.629 1.00 0.00 C ATOM 822 C GLU A 59 -2.271 -11.875 4.165 1.00 0.00 C ATOM 823 O GLU A 59 -2.470 -12.919 4.784 1.00 0.00 O ATOM 824 CB GLU A 59 -0.021 -11.627 5.232 1.00 0.00 C ATOM 825 CG GLU A 59 1.274 -10.833 5.205 1.00 0.00 C ATOM 826 CD GLU A 59 2.413 -11.551 5.902 1.00 0.00 C ATOM 827 OE1 GLU A 59 2.450 -12.798 5.849 1.00 0.00 O ATOM 828 OE2 GLU A 59 3.268 -10.864 6.500 1.00 0.00 O ATOM 0 H GLU A 59 -1.762 -10.284 6.563 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.873 -10.307 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.254 -11.892 6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.124 -12.561 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.553 -10.635 4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.113 -9.866 5.682 1.00 0.00 H new ATOM 835 N ASN A 60 -2.947 -11.543 3.070 1.00 0.00 N ATOM 836 CA ASN A 60 -3.986 -12.408 2.522 1.00 0.00 C ATOM 837 C ASN A 60 -3.547 -13.011 1.191 1.00 0.00 C ATOM 838 O ASN A 60 -2.446 -12.741 0.709 1.00 0.00 O ATOM 839 CB ASN A 60 -5.285 -11.622 2.334 1.00 0.00 C ATOM 840 CG ASN A 60 -5.059 -10.285 1.654 1.00 0.00 C ATOM 841 OD1 ASN A 60 -5.290 -10.139 0.454 1.00 0.00 O ATOM 842 ND2 ASN A 60 -4.605 -9.301 2.421 1.00 0.00 N ATOM 0 H ASN A 60 -2.794 -10.682 2.545 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.158 -13.220 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.982 -12.214 1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.751 -11.458 3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.434 -8.379 2.020 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.427 -9.467 3.412 1.00 0.00 H new ATOM 849 N ILE A 61 -4.414 -13.828 0.603 1.00 0.00 N ATOM 850 CA ILE A 61 -4.116 -14.468 -0.672 1.00 0.00 C ATOM 851 C ILE A 61 -3.676 -13.443 -1.712 1.00 0.00 C ATOM 852 O ILE A 61 -2.532 -13.456 -2.166 1.00 0.00 O ATOM 853 CB ILE A 61 -5.333 -15.242 -1.212 1.00 0.00 C ATOM 854 CG1 ILE A 61 -5.717 -16.367 -0.249 1.00 0.00 C ATOM 855 CG2 ILE A 61 -5.035 -15.799 -2.596 1.00 0.00 C ATOM 856 CD1 ILE A 61 -4.531 -17.006 0.438 1.00 0.00 C ATOM 0 H ILE A 61 -5.329 -14.062 0.989 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.302 -15.170 -0.490 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.176 -14.555 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.395 -15.971 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.265 -17.133 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.905 -16.343 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.805 -14.979 -3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.181 -16.474 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.879 -17.795 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.863 -17.432 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.995 -16.252 1.015 1.00 0.00 H new ATOM 868 N ARG A 62 -4.593 -12.555 -2.083 1.00 0.00 N ATOM 869 CA ARG A 62 -4.300 -11.522 -3.069 1.00 0.00 C ATOM 870 C ARG A 62 -2.881 -10.989 -2.893 1.00 0.00 C ATOM 871 O ARG A 62 -2.038 -11.132 -3.779 1.00 0.00 O ATOM 872 CB ARG A 62 -5.306 -10.376 -2.952 1.00 0.00 C ATOM 873 CG ARG A 62 -6.749 -10.809 -3.147 1.00 0.00 C ATOM 874 CD ARG A 62 -7.150 -10.765 -4.614 1.00 0.00 C ATOM 875 NE ARG A 62 -8.597 -10.653 -4.782 1.00 0.00 N ATOM 876 CZ ARG A 62 -9.177 -10.251 -5.907 1.00 0.00 C ATOM 877 NH1 ARG A 62 -8.437 -9.923 -6.958 1.00 0.00 N ATOM 878 NH2 ARG A 62 -10.499 -10.175 -5.983 1.00 0.00 N ATOM 0 H ARG A 62 -5.544 -12.530 -1.716 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.381 -11.967 -4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.204 -9.913 -1.970 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.062 -9.613 -3.691 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.882 -11.820 -2.762 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.406 -10.159 -2.569 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.662 -9.919 -5.098 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.795 -11.666 -5.114 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.194 -10.897 -3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.420 -9.979 -6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.885 -9.615 -7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.071 -10.425 -5.177 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.943 -9.866 -6.848 1.00 0.00 H new ATOM 892 N VAL A 63 -2.625 -10.372 -1.743 1.00 0.00 N ATOM 893 CA VAL A 63 -1.309 -9.818 -1.450 1.00 0.00 C ATOM 894 C VAL A 63 -0.204 -10.805 -1.810 1.00 0.00 C ATOM 895 O VAL A 63 0.779 -10.445 -2.458 1.00 0.00 O ATOM 896 CB VAL A 63 -1.178 -9.437 0.037 1.00 0.00 C ATOM 897 CG1 VAL A 63 0.206 -8.878 0.325 1.00 0.00 C ATOM 898 CG2 VAL A 63 -2.258 -8.439 0.427 1.00 0.00 C ATOM 0 H VAL A 63 -3.312 -10.244 -1.000 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.202 -8.920 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.312 -10.336 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.280 -8.615 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.959 -9.629 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.373 -7.989 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.151 -8.180 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.158 -7.539 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.240 -8.882 0.260 1.00 0.00 H new ATOM 908 N LYS A 64 -0.372 -12.052 -1.385 1.00 0.00 N ATOM 909 CA LYS A 64 0.610 -13.094 -1.663 1.00 0.00 C ATOM 910 C LYS A 64 1.009 -13.087 -3.135 1.00 0.00 C ATOM 911 O LYS A 64 2.167 -12.847 -3.473 1.00 0.00 O ATOM 912 CB LYS A 64 0.049 -14.466 -1.282 1.00 0.00 C ATOM 913 CG LYS A 64 1.122 -15.506 -1.006 1.00 0.00 C ATOM 914 CD LYS A 64 0.524 -16.894 -0.843 1.00 0.00 C ATOM 915 CE LYS A 64 0.420 -17.616 -2.177 1.00 0.00 C ATOM 916 NZ LYS A 64 -0.096 -19.004 -2.018 1.00 0.00 N ATOM 0 H LYS A 64 -1.179 -12.366 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 64 1.498 -12.892 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.579 -14.360 -0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.593 -14.823 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.842 -15.513 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.668 -15.236 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.139 -17.478 -0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.466 -16.814 -0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.239 -17.058 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.401 -17.645 -2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.152 -19.462 -2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.546 -19.545 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.043 -18.975 -1.589 1.00 0.00 H new ATOM 930 N ASN A 65 0.041 -13.351 -4.007 1.00 0.00 N ATOM 931 CA ASN A 65 0.291 -13.374 -5.443 1.00 0.00 C ATOM 932 C ASN A 65 1.274 -12.277 -5.842 1.00 0.00 C ATOM 933 O ASN A 65 2.200 -12.512 -6.619 1.00 0.00 O ATOM 934 CB ASN A 65 -1.019 -13.204 -6.214 1.00 0.00 C ATOM 935 CG ASN A 65 -1.698 -14.530 -6.499 1.00 0.00 C ATOM 936 OD1 ASN A 65 -1.392 -15.197 -7.488 1.00 0.00 O ATOM 937 ND2 ASN A 65 -2.626 -14.918 -5.632 1.00 0.00 N ATOM 0 H ASN A 65 -0.924 -13.552 -3.744 1.00 0.00 H new ATOM 0 HA ASN A 65 0.729 -14.340 -5.694 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.695 -12.569 -5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.820 -12.691 -7.155 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.117 -15.801 -5.772 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.847 -14.333 -4.826 1.00 0.00 H new ATOM 944 N ILE A 66 1.067 -11.081 -5.303 1.00 0.00 N ATOM 945 CA ILE A 66 1.935 -9.948 -5.601 1.00 0.00 C ATOM 946 C ILE A 66 3.331 -10.159 -5.023 1.00 0.00 C ATOM 947 O ILE A 66 4.332 -9.815 -5.652 1.00 0.00 O ATOM 948 CB ILE A 66 1.356 -8.633 -5.047 1.00 0.00 C ATOM 949 CG1 ILE A 66 0.034 -8.301 -5.742 1.00 0.00 C ATOM 950 CG2 ILE A 66 2.353 -7.499 -5.224 1.00 0.00 C ATOM 951 CD1 ILE A 66 -1.161 -9.002 -5.134 1.00 0.00 C ATOM 0 H ILE A 66 0.306 -10.871 -4.657 1.00 0.00 H new ATOM 0 HA ILE A 66 2.000 -9.877 -6.687 1.00 0.00 H new ATOM 0 HB ILE A 66 1.164 -8.758 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.128 -7.224 -5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.108 -8.573 -6.795 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.929 -6.576 -4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.272 -7.736 -4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.574 -7.371 -6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.063 -8.720 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.021 -10.081 -5.198 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.261 -8.711 -4.088 1.00 0.00 H new ATOM 963 N ILE A 67 3.389 -10.728 -3.824 1.00 0.00 N ATOM 964 CA ILE A 67 4.662 -10.987 -3.163 1.00 0.00 C ATOM 965 C ILE A 67 5.474 -12.029 -3.924 1.00 0.00 C ATOM 966 O ILE A 67 6.687 -11.887 -4.088 1.00 0.00 O ATOM 967 CB ILE A 67 4.456 -11.471 -1.715 1.00 0.00 C ATOM 968 CG1 ILE A 67 3.862 -10.351 -0.859 1.00 0.00 C ATOM 969 CG2 ILE A 67 5.773 -11.955 -1.126 1.00 0.00 C ATOM 970 CD1 ILE A 67 3.299 -10.832 0.460 1.00 0.00 C ATOM 0 H ILE A 67 2.570 -11.018 -3.290 1.00 0.00 H new ATOM 0 HA ILE A 67 5.208 -10.044 -3.148 1.00 0.00 H new ATOM 0 HB ILE A 67 3.756 -12.306 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.633 -9.605 -0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.072 -9.854 -1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.611 -12.294 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.158 -12.780 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.495 -11.138 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.895 -9.985 1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.505 -11.556 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.090 -11.303 1.043 1.00 0.00 H new ATOM 982 N LEU A 68 4.799 -13.073 -4.390 1.00 0.00 N ATOM 983 CA LEU A 68 5.458 -14.139 -5.138 1.00 0.00 C ATOM 984 C LEU A 68 6.261 -13.570 -6.303 1.00 0.00 C ATOM 985 O LEU A 68 7.444 -13.873 -6.461 1.00 0.00 O ATOM 986 CB LEU A 68 4.424 -15.140 -5.656 1.00 0.00 C ATOM 987 CG LEU A 68 3.479 -15.732 -4.610 1.00 0.00 C ATOM 988 CD1 LEU A 68 2.424 -16.602 -5.274 1.00 0.00 C ATOM 989 CD2 LEU A 68 4.261 -16.534 -3.579 1.00 0.00 C ATOM 0 H LEU A 68 3.796 -13.205 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 68 6.144 -14.652 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.824 -14.648 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.953 -15.959 -6.143 1.00 0.00 H new ATOM 0 HG LEU A 68 2.975 -14.912 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.761 -17.014 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.844 -16.000 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.910 -17.416 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.573 -16.948 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.792 -17.346 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.979 -15.883 -3.080 1.00 0.00 H new ATOM 1001 N SER A 69 5.611 -12.744 -7.116 1.00 0.00 N ATOM 1002 CA SER A 69 6.264 -12.134 -8.268 1.00 0.00 C ATOM 1003 C SER A 69 7.670 -11.662 -7.909 1.00 0.00 C ATOM 1004 O SER A 69 8.594 -11.758 -8.715 1.00 0.00 O ATOM 1005 CB SER A 69 5.436 -10.957 -8.787 1.00 0.00 C ATOM 1006 OG SER A 69 5.625 -10.774 -10.179 1.00 0.00 O ATOM 0 H SER A 69 4.632 -12.482 -6.998 1.00 0.00 H new ATOM 0 HA SER A 69 6.341 -12.888 -9.051 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.380 -11.132 -8.580 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.718 -10.048 -8.256 1.00 0.00 H new ATOM 0 HG SER A 69 5.084 -10.017 -10.486 1.00 0.00 H new ATOM 1012 N ASN A 70 7.823 -11.151 -6.691 1.00 0.00 N ATOM 1013 CA ASN A 70 9.115 -10.663 -6.224 1.00 0.00 C ATOM 1014 C ASN A 70 9.580 -9.472 -7.056 1.00 0.00 C ATOM 1015 O ASN A 70 10.751 -9.376 -7.424 1.00 0.00 O ATOM 1016 CB ASN A 70 10.158 -11.780 -6.285 1.00 0.00 C ATOM 1017 CG ASN A 70 11.500 -11.350 -5.726 1.00 0.00 C ATOM 1018 OD1 ASN A 70 12.415 -11.003 -6.473 1.00 0.00 O ATOM 1019 ND2 ASN A 70 11.624 -11.370 -4.404 1.00 0.00 N ATOM 0 H ASN A 70 7.068 -11.064 -6.010 1.00 0.00 H new ATOM 0 HA ASN A 70 9.000 -10.338 -5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.795 -12.643 -5.727 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.284 -12.099 -7.320 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.504 -11.091 -3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.839 -11.665 -3.823 1.00 0.00 H new ATOM 1026 N LYS A 71 8.654 -8.564 -7.348 1.00 0.00 N ATOM 1027 CA LYS A 71 8.967 -7.377 -8.135 1.00 0.00 C ATOM 1028 C LYS A 71 8.561 -6.109 -7.392 1.00 0.00 C ATOM 1029 O LYS A 71 9.297 -5.122 -7.380 1.00 0.00 O ATOM 1030 CB LYS A 71 8.258 -7.436 -9.490 1.00 0.00 C ATOM 1031 CG LYS A 71 8.617 -8.662 -10.312 1.00 0.00 C ATOM 1032 CD LYS A 71 10.023 -8.561 -10.878 1.00 0.00 C ATOM 1033 CE LYS A 71 10.403 -9.814 -11.653 1.00 0.00 C ATOM 1034 NZ LYS A 71 9.880 -9.784 -13.047 1.00 0.00 N ATOM 0 H LYS A 71 7.680 -8.628 -7.051 1.00 0.00 H new ATOM 0 HA LYS A 71 10.045 -7.353 -8.297 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.180 -7.421 -9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.507 -6.541 -10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.537 -9.554 -9.691 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.903 -8.776 -11.127 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.091 -7.692 -11.533 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.733 -8.405 -10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.488 -9.913 -11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.013 -10.692 -11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.160 -10.655 -13.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.842 -9.716 -13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.272 -8.961 -13.547 1.00 0.00 H new ATOM 1048 N HIS A 72 7.386 -6.143 -6.770 1.00 0.00 N ATOM 1049 CA HIS A 72 6.884 -4.996 -6.022 1.00 0.00 C ATOM 1050 C HIS A 72 7.181 -5.146 -4.533 1.00 0.00 C ATOM 1051 O HIS A 72 7.852 -6.091 -4.116 1.00 0.00 O ATOM 1052 CB HIS A 72 5.379 -4.838 -6.240 1.00 0.00 C ATOM 1053 CG HIS A 72 5.031 -4.030 -7.453 1.00 0.00 C ATOM 1054 ND1 HIS A 72 5.654 -2.842 -7.770 1.00 0.00 N ATOM 1055 CD2 HIS A 72 4.119 -4.247 -8.429 1.00 0.00 C ATOM 1056 CE1 HIS A 72 5.140 -2.362 -8.888 1.00 0.00 C ATOM 1057 NE2 HIS A 72 4.206 -3.196 -9.309 1.00 0.00 N ATOM 0 H HIS A 72 6.765 -6.952 -6.769 1.00 0.00 H new ATOM 0 HA HIS A 72 7.393 -4.104 -6.388 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.927 -5.826 -6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.940 -4.366 -5.361 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.448 -5.090 -8.502 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.433 -1.444 -9.375 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.641 -3.079 -10.150 1.00 0.00 H new ATOM 1065 N ASP A 73 6.678 -4.209 -3.737 1.00 0.00 N ATOM 1066 CA ASP A 73 6.889 -4.238 -2.295 1.00 0.00 C ATOM 1067 C ASP A 73 5.574 -4.037 -1.549 1.00 0.00 C ATOM 1068 O ASP A 73 4.720 -3.259 -1.973 1.00 0.00 O ATOM 1069 CB ASP A 73 7.892 -3.159 -1.883 1.00 0.00 C ATOM 1070 CG ASP A 73 7.636 -1.835 -2.576 1.00 0.00 C ATOM 1071 OD1 ASP A 73 8.130 -1.652 -3.708 1.00 0.00 O ATOM 1072 OD2 ASP A 73 6.939 -0.983 -1.987 1.00 0.00 O ATOM 0 H ASP A 73 6.121 -3.420 -4.066 1.00 0.00 H new ATOM 0 HA ASP A 73 7.290 -5.217 -2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.844 -3.016 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.902 -3.498 -2.115 1.00 0.00 H new ATOM 1077 N VAL A 74 5.417 -4.746 -0.435 1.00 0.00 N ATOM 1078 CA VAL A 74 4.205 -4.646 0.370 1.00 0.00 C ATOM 1079 C VAL A 74 4.368 -3.615 1.482 1.00 0.00 C ATOM 1080 O VAL A 74 5.193 -3.780 2.380 1.00 0.00 O ATOM 1081 CB VAL A 74 3.833 -6.004 0.995 1.00 0.00 C ATOM 1082 CG1 VAL A 74 2.525 -5.898 1.764 1.00 0.00 C ATOM 1083 CG2 VAL A 74 3.744 -7.078 -0.079 1.00 0.00 C ATOM 0 H VAL A 74 6.114 -5.395 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 74 3.405 -4.331 -0.300 1.00 0.00 H new ATOM 0 HB VAL A 74 4.617 -6.288 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.279 -6.867 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.629 -5.160 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.728 -5.591 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.480 -8.031 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.981 -6.802 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.707 -7.171 -0.581 1.00 0.00 H new ATOM 1093 N VAL A 75 3.573 -2.552 1.415 1.00 0.00 N ATOM 1094 CA VAL A 75 3.627 -1.494 2.417 1.00 0.00 C ATOM 1095 C VAL A 75 2.333 -1.431 3.221 1.00 0.00 C ATOM 1096 O VAL A 75 1.241 -1.582 2.673 1.00 0.00 O ATOM 1097 CB VAL A 75 3.883 -0.120 1.769 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.048 0.951 2.836 1.00 0.00 C ATOM 1099 CG2 VAL A 75 5.106 -0.177 0.866 1.00 0.00 C ATOM 0 H VAL A 75 2.884 -2.401 0.678 1.00 0.00 H new ATOM 0 HA VAL A 75 4.455 -1.733 3.085 1.00 0.00 H new ATOM 0 HB VAL A 75 3.019 0.141 1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.228 1.915 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.141 1.008 3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.893 0.699 3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.272 0.802 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.979 -0.459 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.944 -0.914 0.080 1.00 0.00 H new ATOM 1109 N LYS A 76 2.463 -1.208 4.524 1.00 0.00 N ATOM 1110 CA LYS A 76 1.304 -1.123 5.405 1.00 0.00 C ATOM 1111 C LYS A 76 0.493 0.137 5.118 1.00 0.00 C ATOM 1112 O LYS A 76 1.029 1.173 4.726 1.00 0.00 O ATOM 1113 CB LYS A 76 1.749 -1.133 6.869 1.00 0.00 C ATOM 1114 CG LYS A 76 2.610 -2.330 7.235 1.00 0.00 C ATOM 1115 CD LYS A 76 2.429 -2.723 8.691 1.00 0.00 C ATOM 1116 CE LYS A 76 1.315 -3.745 8.858 1.00 0.00 C ATOM 1117 NZ LYS A 76 -0.008 -3.194 8.454 1.00 0.00 N ATOM 0 H LYS A 76 3.360 -1.083 4.994 1.00 0.00 H new ATOM 0 HA LYS A 76 0.672 -1.991 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.305 -0.219 7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.866 -1.122 7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.352 -3.174 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.658 -2.096 7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.362 -3.134 9.077 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.202 -1.836 9.283 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.539 -4.628 8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.272 -4.068 9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.752 -3.890 8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.196 -2.319 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.002 -2.988 7.435 1.00 0.00 H new ATOM 1131 N PRO A 77 -0.830 0.048 5.319 1.00 0.00 N ATOM 1132 CA PRO A 77 -1.742 1.172 5.090 1.00 0.00 C ATOM 1133 C PRO A 77 -1.562 2.284 6.118 1.00 0.00 C ATOM 1134 O PRO A 77 -2.285 3.280 6.103 1.00 0.00 O ATOM 1135 CB PRO A 77 -3.129 0.538 5.227 1.00 0.00 C ATOM 1136 CG PRO A 77 -2.917 -0.649 6.102 1.00 0.00 C ATOM 1137 CD PRO A 77 -1.537 -1.156 5.786 1.00 0.00 C ATOM 0 HA PRO A 77 -1.568 1.646 4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.841 1.235 5.670 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.529 0.248 4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.002 -0.378 7.154 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.668 -1.415 5.909 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.057 -1.589 6.664 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.559 -1.931 5.020 1.00 0.00 H new ATOM 1145 N ALA A 78 -0.592 2.108 7.009 1.00 0.00 N ATOM 1146 CA ALA A 78 -0.315 3.098 8.043 1.00 0.00 C ATOM 1147 C ALA A 78 0.556 4.227 7.502 1.00 0.00 C ATOM 1148 O ALA A 78 0.299 5.402 7.764 1.00 0.00 O ATOM 1149 CB ALA A 78 0.354 2.439 9.239 1.00 0.00 C ATOM 0 H ALA A 78 0.015 1.289 7.036 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.264 3.528 8.364 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.555 3.190 10.003 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.305 1.673 9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.292 1.981 8.925 1.00 0.00 H new ATOM 1155 N TRP A 79 1.587 3.862 6.748 1.00 0.00 N ATOM 1156 CA TRP A 79 2.497 4.846 6.172 1.00 0.00 C ATOM 1157 C TRP A 79 1.728 5.912 5.399 1.00 0.00 C ATOM 1158 O TRP A 79 2.058 7.097 5.462 1.00 0.00 O ATOM 1159 CB TRP A 79 3.506 4.158 5.250 1.00 0.00 C ATOM 1160 CG TRP A 79 4.151 5.094 4.273 1.00 0.00 C ATOM 1161 CD1 TRP A 79 4.959 6.156 4.566 1.00 0.00 C ATOM 1162 CD2 TRP A 79 4.042 5.053 2.846 1.00 0.00 C ATOM 1163 NE1 TRP A 79 5.358 6.777 3.408 1.00 0.00 N ATOM 1164 CE2 TRP A 79 4.810 6.119 2.338 1.00 0.00 C ATOM 1165 CE3 TRP A 79 3.372 4.218 1.948 1.00 0.00 C ATOM 1166 CZ2 TRP A 79 4.923 6.371 0.974 1.00 0.00 C ATOM 1167 CZ3 TRP A 79 3.486 4.469 0.594 1.00 0.00 C ATOM 1168 CH2 TRP A 79 4.257 5.537 0.117 1.00 0.00 C ATOM 0 H TRP A 79 1.814 2.894 6.521 1.00 0.00 H new ATOM 0 HA TRP A 79 3.032 5.331 6.988 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.280 3.687 5.857 1.00 0.00 H new ATOM 0 HB3 TRP A 79 3.002 3.362 4.702 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.242 6.462 5.562 1.00 0.00 H new ATOM 0 HE1 TRP A 79 5.964 7.596 3.353 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.776 3.391 2.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 5.515 7.195 0.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 2.972 3.831 -0.109 1.00 0.00 H new ATOM 0 HH2 TRP A 79 4.327 5.706 -0.947 1.00 0.00 H new ATOM 1179 N LEU A 80 0.702 5.485 4.672 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.114 6.404 3.887 1.00 0.00 C ATOM 1181 C LEU A 80 -0.660 7.529 4.760 1.00 0.00 C ATOM 1182 O LEU A 80 -0.744 8.680 4.329 1.00 0.00 O ATOM 1183 CB LEU A 80 -1.270 5.652 3.224 1.00 0.00 C ATOM 1184 CG LEU A 80 -0.920 4.863 1.961 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -2.108 4.029 1.507 1.00 0.00 C ATOM 1186 CD2 LEU A 80 -0.470 5.803 0.852 1.00 0.00 C ATOM 0 H LEU A 80 0.415 4.508 4.610 1.00 0.00 H new ATOM 0 HA LEU A 80 0.518 6.842 3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.694 4.962 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.050 6.372 2.975 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.096 4.188 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.841 3.475 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.384 3.329 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.952 4.685 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.225 5.224 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.273 6.503 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.411 6.356 1.179 1.00 0.00 H new ATOM 1198 N LEU A 81 -1.028 7.190 5.991 1.00 0.00 N ATOM 1199 CA LEU A 81 -1.564 8.172 6.927 1.00 0.00 C ATOM 1200 C LEU A 81 -0.558 9.291 7.178 1.00 0.00 C ATOM 1201 O LEU A 81 -0.916 10.468 7.193 1.00 0.00 O ATOM 1202 CB LEU A 81 -1.933 7.497 8.249 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.158 6.583 8.217 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.420 5.993 9.595 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.378 7.343 7.719 1.00 0.00 C ATOM 0 H LEU A 81 -0.965 6.243 6.364 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.461 8.607 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.077 6.912 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.103 8.273 8.995 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.959 5.764 7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.296 5.345 9.553 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.554 5.412 9.913 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.598 6.798 10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.240 6.676 7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.580 8.182 8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.189 7.716 6.712 1.00 0.00 H new ATOM 1217 N GLU A 82 0.702 8.915 7.372 1.00 0.00 N ATOM 1218 CA GLU A 82 1.760 9.887 7.620 1.00 0.00 C ATOM 1219 C GLU A 82 1.725 11.006 6.582 1.00 0.00 C ATOM 1220 O GLU A 82 2.056 12.154 6.880 1.00 0.00 O ATOM 1221 CB GLU A 82 3.128 9.202 7.601 1.00 0.00 C ATOM 1222 CG GLU A 82 3.421 8.395 8.854 1.00 0.00 C ATOM 1223 CD GLU A 82 3.338 9.229 10.118 1.00 0.00 C ATOM 1224 OE1 GLU A 82 3.866 10.360 10.119 1.00 0.00 O ATOM 1225 OE2 GLU A 82 2.744 8.749 11.106 1.00 0.00 O ATOM 0 H GLU A 82 1.015 7.944 7.362 1.00 0.00 H new ATOM 0 HA GLU A 82 1.594 10.323 8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.184 8.544 6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.902 9.959 7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.715 7.568 8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.417 7.959 8.776 1.00 0.00 H new ATOM 1232 N CYS A 83 1.322 10.662 5.364 1.00 0.00 N ATOM 1233 CA CYS A 83 1.244 11.636 4.281 1.00 0.00 C ATOM 1234 C CYS A 83 -0.029 12.469 4.389 1.00 0.00 C ATOM 1235 O CYS A 83 -0.105 13.578 3.859 1.00 0.00 O ATOM 1236 CB CYS A 83 1.291 10.928 2.926 1.00 0.00 C ATOM 1237 SG CYS A 83 2.425 9.521 2.868 1.00 0.00 S ATOM 0 H CYS A 83 1.044 9.716 5.102 1.00 0.00 H new ATOM 0 HA CYS A 83 2.101 12.304 4.364 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.288 10.584 2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.583 11.648 2.162 1.00 0.00 H new ATOM 0 HG CYS A 83 2.140 8.694 3.829 1.00 0.00 H new ATOM 1243 N PHE A 84 -1.028 11.927 5.078 1.00 0.00 N ATOM 1244 CA PHE A 84 -2.299 12.619 5.253 1.00 0.00 C ATOM 1245 C PHE A 84 -2.245 13.560 6.454 1.00 0.00 C ATOM 1246 O PHE A 84 -2.998 14.532 6.530 1.00 0.00 O ATOM 1247 CB PHE A 84 -3.434 11.609 5.434 1.00 0.00 C ATOM 1248 CG PHE A 84 -3.452 10.535 4.384 1.00 0.00 C ATOM 1249 CD1 PHE A 84 -3.006 10.796 3.099 1.00 0.00 C ATOM 1250 CD2 PHE A 84 -3.916 9.264 4.682 1.00 0.00 C ATOM 1251 CE1 PHE A 84 -3.023 9.810 2.130 1.00 0.00 C ATOM 1252 CE2 PHE A 84 -3.935 8.273 3.718 1.00 0.00 C ATOM 1253 CZ PHE A 84 -3.487 8.547 2.441 1.00 0.00 C ATOM 0 H PHE A 84 -0.982 11.011 5.524 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.488 13.211 4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.344 11.145 6.416 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.387 12.138 5.418 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.641 11.782 2.851 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.267 9.045 5.679 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.674 10.027 1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.300 7.286 3.963 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.499 7.775 1.686 1.00 0.00 H new ATOM 1263 N LYS A 85 -1.350 13.264 7.390 1.00 0.00 N ATOM 1264 CA LYS A 85 -1.195 14.082 8.587 1.00 0.00 C ATOM 1265 C LYS A 85 -0.141 15.164 8.374 1.00 0.00 C ATOM 1266 O LYS A 85 -0.323 16.312 8.781 1.00 0.00 O ATOM 1267 CB LYS A 85 -0.809 13.207 9.781 1.00 0.00 C ATOM 1268 CG LYS A 85 -0.464 13.999 11.030 1.00 0.00 C ATOM 1269 CD LYS A 85 -0.444 13.114 12.265 1.00 0.00 C ATOM 1270 CE LYS A 85 -0.623 13.927 13.537 1.00 0.00 C ATOM 1271 NZ LYS A 85 -1.965 14.569 13.602 1.00 0.00 N ATOM 0 H LYS A 85 -0.720 12.463 7.343 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.150 14.565 8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.633 12.530 10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.045 12.588 9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.510 14.472 10.904 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.191 14.799 11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.237 12.370 12.193 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.500 12.571 12.309 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.488 13.280 14.403 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.149 14.694 13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.458 14.257 14.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.855 15.603 13.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.521 14.296 12.767 1.00 0.00 H new ATOM 1285 N THR A 86 0.962 14.791 7.733 1.00 0.00 N ATOM 1286 CA THR A 86 2.045 15.729 7.466 1.00 0.00 C ATOM 1287 C THR A 86 1.847 16.431 6.128 1.00 0.00 C ATOM 1288 O THR A 86 2.403 17.503 5.888 1.00 0.00 O ATOM 1289 CB THR A 86 3.414 15.021 7.465 1.00 0.00 C ATOM 1290 OG1 THR A 86 3.594 14.307 6.237 1.00 0.00 O ATOM 1291 CG2 THR A 86 3.527 14.060 8.638 1.00 0.00 C ATOM 0 H THR A 86 1.129 13.845 7.389 1.00 0.00 H new ATOM 0 HA THR A 86 2.027 16.468 8.267 1.00 0.00 H new ATOM 0 HB THR A 86 4.191 15.779 7.562 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.097 13.463 6.273 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.502 13.572 8.616 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.418 14.611 9.572 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.743 13.307 8.568 1.00 0.00 H new ATOM 1299 N LYS A 87 1.051 15.820 5.257 1.00 0.00 N ATOM 1300 CA LYS A 87 0.777 16.387 3.941 1.00 0.00 C ATOM 1301 C LYS A 87 2.059 16.508 3.123 1.00 0.00 C ATOM 1302 O LYS A 87 2.237 17.463 2.368 1.00 0.00 O ATOM 1303 CB LYS A 87 0.119 17.761 4.083 1.00 0.00 C ATOM 1304 CG LYS A 87 -0.950 17.815 5.161 1.00 0.00 C ATOM 1305 CD LYS A 87 -2.208 17.076 4.737 1.00 0.00 C ATOM 1306 CE LYS A 87 -3.400 17.468 5.597 1.00 0.00 C ATOM 1307 NZ LYS A 87 -4.619 16.688 5.243 1.00 0.00 N ATOM 0 H LYS A 87 0.584 14.932 5.439 1.00 0.00 H new ATOM 0 HA LYS A 87 0.095 15.716 3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.887 18.501 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.325 18.042 3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.563 17.377 6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.194 18.854 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.425 17.294 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.042 16.001 4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.158 17.308 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.602 18.532 5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.466 17.214 5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.648 16.537 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.595 15.768 5.728 1.00 0.00 H new ATOM 1321 N SER A 88 2.948 15.532 3.278 1.00 0.00 N ATOM 1322 CA SER A 88 4.215 15.530 2.555 1.00 0.00 C ATOM 1323 C SER A 88 4.525 14.142 2.005 1.00 0.00 C ATOM 1324 O SER A 88 3.719 13.219 2.126 1.00 0.00 O ATOM 1325 CB SER A 88 5.350 15.994 3.470 1.00 0.00 C ATOM 1326 OG SER A 88 6.432 16.514 2.718 1.00 0.00 O ATOM 0 H SER A 88 2.815 14.733 3.897 1.00 0.00 H new ATOM 0 HA SER A 88 4.127 16.222 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.980 16.757 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.695 15.158 4.079 1.00 0.00 H new ATOM 0 HG SER A 88 7.143 16.805 3.326 1.00 0.00 H new ATOM 1332 N PHE A 89 5.699 14.001 1.398 1.00 0.00 N ATOM 1333 CA PHE A 89 6.117 12.725 0.828 1.00 0.00 C ATOM 1334 C PHE A 89 7.043 11.979 1.784 1.00 0.00 C ATOM 1335 O PHE A 89 8.258 11.948 1.591 1.00 0.00 O ATOM 1336 CB PHE A 89 6.821 12.948 -0.512 1.00 0.00 C ATOM 1337 CG PHE A 89 6.658 11.804 -1.472 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.154 10.548 -1.164 1.00 0.00 C ATOM 1339 CD2 PHE A 89 6.010 11.986 -2.683 1.00 0.00 C ATOM 1340 CE1 PHE A 89 7.006 9.493 -2.045 1.00 0.00 C ATOM 1341 CE2 PHE A 89 5.859 10.935 -3.568 1.00 0.00 C ATOM 1342 CZ PHE A 89 6.358 9.688 -3.249 1.00 0.00 C ATOM 0 H PHE A 89 6.378 14.754 1.288 1.00 0.00 H new ATOM 0 HA PHE A 89 5.226 12.118 0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.431 13.856 -0.972 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.883 13.113 -0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.663 10.391 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.619 12.960 -2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 89 7.396 8.518 -1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.351 11.089 -4.508 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.242 8.866 -3.940 1.00 0.00 H new ATOM 1352 N VAL A 90 6.459 11.379 2.817 1.00 0.00 N ATOM 1353 CA VAL A 90 7.230 10.633 3.803 1.00 0.00 C ATOM 1354 C VAL A 90 7.924 9.434 3.166 1.00 0.00 C ATOM 1355 O VAL A 90 7.318 8.651 2.434 1.00 0.00 O ATOM 1356 CB VAL A 90 6.337 10.141 4.958 1.00 0.00 C ATOM 1357 CG1 VAL A 90 4.974 9.714 4.435 1.00 0.00 C ATOM 1358 CG2 VAL A 90 7.012 9.000 5.704 1.00 0.00 C ATOM 0 H VAL A 90 5.454 11.396 2.992 1.00 0.00 H new ATOM 0 HA VAL A 90 7.982 11.316 4.199 1.00 0.00 H new ATOM 0 HB VAL A 90 6.190 10.965 5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.357 9.370 5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.489 10.561 3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.098 8.905 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.367 8.665 6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.191 8.172 5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.962 9.344 6.113 1.00 0.00 H new ATOM 1368 N PRO A 91 9.227 9.285 3.449 1.00 0.00 N ATOM 1369 CA PRO A 91 10.032 8.184 2.914 1.00 0.00 C ATOM 1370 C PRO A 91 9.647 6.838 3.518 1.00 0.00 C ATOM 1371 O PRO A 91 9.012 6.778 4.571 1.00 0.00 O ATOM 1372 CB PRO A 91 11.460 8.561 3.316 1.00 0.00 C ATOM 1373 CG PRO A 91 11.299 9.429 4.516 1.00 0.00 C ATOM 1374 CD PRO A 91 10.013 10.181 4.313 1.00 0.00 C ATOM 0 HA PRO A 91 9.895 8.063 1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.054 7.676 3.544 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.972 9.089 2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.262 8.832 5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.140 10.115 4.618 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.506 10.374 5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.183 11.148 3.840 1.00 0.00 H new ATOM 1382 N TRP A 92 10.034 5.760 2.845 1.00 0.00 N ATOM 1383 CA TRP A 92 9.728 4.414 3.316 1.00 0.00 C ATOM 1384 C TRP A 92 10.485 4.104 4.603 1.00 0.00 C ATOM 1385 O TRP A 92 11.641 4.495 4.763 1.00 0.00 O ATOM 1386 CB TRP A 92 10.080 3.383 2.242 1.00 0.00 C ATOM 1387 CG TRP A 92 9.051 3.281 1.158 1.00 0.00 C ATOM 1388 CD1 TRP A 92 7.846 3.923 1.108 1.00 0.00 C ATOM 1389 CD2 TRP A 92 9.135 2.489 -0.032 1.00 0.00 C ATOM 1390 NE1 TRP A 92 7.176 3.577 -0.041 1.00 0.00 N ATOM 1391 CE2 TRP A 92 7.946 2.700 -0.758 1.00 0.00 C ATOM 1392 CE3 TRP A 92 10.100 1.625 -0.556 1.00 0.00 C ATOM 1393 CZ2 TRP A 92 7.699 2.076 -1.978 1.00 0.00 C ATOM 1394 CZ3 TRP A 92 9.852 1.006 -1.766 1.00 0.00 C ATOM 1395 CH2 TRP A 92 8.660 1.234 -2.467 1.00 0.00 C ATOM 0 H TRP A 92 10.560 5.792 1.972 1.00 0.00 H new ATOM 0 HA TRP A 92 8.659 4.362 3.523 1.00 0.00 H new ATOM 0 HB2 TRP A 92 11.040 3.645 1.798 1.00 0.00 H new ATOM 0 HB3 TRP A 92 10.201 2.407 2.711 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.475 4.603 1.861 1.00 0.00 H new ATOM 0 HE1 TRP A 92 6.255 3.918 -0.315 1.00 0.00 H new ATOM 0 HE3 TRP A 92 11.023 1.444 -0.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 6.781 2.251 -2.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 10.590 0.334 -2.179 1.00 0.00 H new ATOM 0 HH2 TRP A 92 8.497 0.736 -3.411 1.00 0.00 H new ATOM 1406 N GLN A 93 9.825 3.398 5.517 1.00 0.00 N ATOM 1407 CA GLN A 93 10.437 3.036 6.790 1.00 0.00 C ATOM 1408 C GLN A 93 10.440 1.523 6.982 1.00 0.00 C ATOM 1409 O GLN A 93 9.656 0.794 6.374 1.00 0.00 O ATOM 1410 CB GLN A 93 9.694 3.707 7.946 1.00 0.00 C ATOM 1411 CG GLN A 93 10.117 5.147 8.188 1.00 0.00 C ATOM 1412 CD GLN A 93 9.815 5.616 9.598 1.00 0.00 C ATOM 1413 OE1 GLN A 93 10.453 5.184 10.558 1.00 0.00 O ATOM 1414 NE2 GLN A 93 8.837 6.504 9.730 1.00 0.00 N ATOM 0 H GLN A 93 8.868 3.066 5.399 1.00 0.00 H new ATOM 0 HA GLN A 93 11.470 3.385 6.780 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.623 3.681 7.742 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.859 3.131 8.856 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.186 5.244 7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.607 5.796 7.476 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.334 6.835 8.907 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.588 6.855 10.655 1.00 0.00 H new ATOM 1423 N PRO A 94 11.344 1.038 7.846 1.00 0.00 N ATOM 1424 CA PRO A 94 11.471 -0.393 8.138 1.00 0.00 C ATOM 1425 C PRO A 94 10.282 -0.932 8.926 1.00 0.00 C ATOM 1426 O PRO A 94 10.153 -2.140 9.126 1.00 0.00 O ATOM 1427 CB PRO A 94 12.749 -0.472 8.977 1.00 0.00 C ATOM 1428 CG PRO A 94 12.875 0.875 9.602 1.00 0.00 C ATOM 1429 CD PRO A 94 12.310 1.849 8.606 1.00 0.00 C ATOM 0 HA PRO A 94 11.504 -0.993 7.229 1.00 0.00 H new ATOM 0 HB2 PRO A 94 12.679 -1.254 9.733 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.616 -0.704 8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.329 0.920 10.545 1.00 0.00 H new ATOM 0 HG3 PRO A 94 13.917 1.106 9.825 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.827 2.693 9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.086 2.259 7.960 1.00 0.00 H new ATOM 1437 N ARG A 95 9.415 -0.028 9.372 1.00 0.00 N ATOM 1438 CA ARG A 95 8.237 -0.413 10.139 1.00 0.00 C ATOM 1439 C ARG A 95 6.998 -0.457 9.249 1.00 0.00 C ATOM 1440 O ARG A 95 5.999 -1.091 9.588 1.00 0.00 O ATOM 1441 CB ARG A 95 8.013 0.563 11.295 1.00 0.00 C ATOM 1442 CG ARG A 95 7.558 1.943 10.848 1.00 0.00 C ATOM 1443 CD ARG A 95 7.339 2.869 12.033 1.00 0.00 C ATOM 1444 NE ARG A 95 6.009 2.710 12.615 1.00 0.00 N ATOM 1445 CZ ARG A 95 5.602 3.351 13.704 1.00 0.00 C ATOM 1446 NH1 ARG A 95 6.417 4.191 14.327 1.00 0.00 N ATOM 1447 NH2 ARG A 95 4.376 3.153 14.173 1.00 0.00 N ATOM 0 H ARG A 95 9.507 0.976 9.215 1.00 0.00 H new ATOM 0 HA ARG A 95 8.408 -1.411 10.543 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.268 0.146 11.972 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.939 0.661 11.861 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.304 2.375 10.181 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.633 1.855 10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.094 2.669 12.794 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.474 3.903 11.715 1.00 0.00 H new ATOM 0 HE ARG A 95 5.357 2.071 12.160 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.360 4.346 13.970 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.101 4.682 15.163 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.746 2.508 13.697 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.064 3.646 15.010 1.00 0.00 H new ATOM 1461 N PHE A 96 7.072 0.222 8.109 1.00 0.00 N ATOM 1462 CA PHE A 96 5.956 0.263 7.170 1.00 0.00 C ATOM 1463 C PHE A 96 6.114 -0.806 6.092 1.00 0.00 C ATOM 1464 O PHE A 96 5.130 -1.360 5.604 1.00 0.00 O ATOM 1465 CB PHE A 96 5.857 1.646 6.523 1.00 0.00 C ATOM 1466 CG PHE A 96 5.737 2.765 7.517 1.00 0.00 C ATOM 1467 CD1 PHE A 96 5.014 2.596 8.687 1.00 0.00 C ATOM 1468 CD2 PHE A 96 6.347 3.987 7.281 1.00 0.00 C ATOM 1469 CE1 PHE A 96 4.902 3.624 9.604 1.00 0.00 C ATOM 1470 CE2 PHE A 96 6.239 5.018 8.195 1.00 0.00 C ATOM 1471 CZ PHE A 96 5.514 4.837 9.357 1.00 0.00 C ATOM 0 H PHE A 96 7.892 0.751 7.813 1.00 0.00 H new ATOM 0 HA PHE A 96 5.039 0.063 7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.739 1.813 5.905 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.993 1.667 5.859 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.532 1.650 8.885 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.913 4.135 6.373 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.337 3.479 10.513 1.00 0.00 H new ATOM 0 HE2 PHE A 96 6.721 5.965 8.001 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.426 5.643 10.071 1.00 0.00 H new ATOM 1481 N MET A 97 7.360 -1.087 5.724 1.00 0.00 N ATOM 1482 CA MET A 97 7.647 -2.089 4.704 1.00 0.00 C ATOM 1483 C MET A 97 7.405 -3.497 5.241 1.00 0.00 C ATOM 1484 O MET A 97 8.195 -4.014 6.031 1.00 0.00 O ATOM 1485 CB MET A 97 9.093 -1.957 4.222 1.00 0.00 C ATOM 1486 CG MET A 97 9.427 -0.579 3.673 1.00 0.00 C ATOM 1487 SD MET A 97 8.714 -0.289 2.043 1.00 0.00 S ATOM 1488 CE MET A 97 9.198 -1.788 1.190 1.00 0.00 C ATOM 0 H MET A 97 8.186 -0.635 6.116 1.00 0.00 H new ATOM 0 HA MET A 97 6.974 -1.919 3.864 1.00 0.00 H new ATOM 0 HB2 MET A 97 9.765 -2.182 5.050 1.00 0.00 H new ATOM 0 HB3 MET A 97 9.279 -2.702 3.449 1.00 0.00 H new ATOM 0 HG2 MET A 97 9.064 0.181 4.365 1.00 0.00 H new ATOM 0 HG3 MET A 97 10.510 -0.467 3.617 1.00 0.00 H new ATOM 0 HE1 MET A 97 9.241 -1.598 0.117 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.179 -2.106 1.542 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.468 -2.573 1.391 1.00 0.00 H new ATOM 1498 N ILE A 98 6.308 -4.109 4.807 1.00 0.00 N ATOM 1499 CA ILE A 98 5.963 -5.456 5.244 1.00 0.00 C ATOM 1500 C ILE A 98 6.944 -6.483 4.688 1.00 0.00 C ATOM 1501 O ILE A 98 7.359 -7.405 5.390 1.00 0.00 O ATOM 1502 CB ILE A 98 4.536 -5.840 4.811 1.00 0.00 C ATOM 1503 CG1 ILE A 98 3.511 -4.931 5.492 1.00 0.00 C ATOM 1504 CG2 ILE A 98 4.258 -7.300 5.140 1.00 0.00 C ATOM 1505 CD1 ILE A 98 2.088 -5.186 5.048 1.00 0.00 C ATOM 0 H ILE A 98 5.644 -3.694 4.154 1.00 0.00 H new ATOM 0 HA ILE A 98 6.017 -5.458 6.333 1.00 0.00 H new ATOM 0 HB ILE A 98 4.451 -5.708 3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.576 -5.068 6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 98 3.766 -3.891 5.287 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.246 -7.557 4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.972 -7.934 4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.357 -7.456 6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.416 -4.506 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.007 -5.021 3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.814 -6.216 5.278 1.00 0.00 H new ATOM 1517 N HIS A 99 7.313 -6.315 3.422 1.00 0.00 N ATOM 1518 CA HIS A 99 8.249 -7.226 2.771 1.00 0.00 C ATOM 1519 C HIS A 99 9.001 -6.520 1.647 1.00 0.00 C ATOM 1520 O HIS A 99 8.410 -5.778 0.862 1.00 0.00 O ATOM 1521 CB HIS A 99 7.507 -8.443 2.219 1.00 0.00 C ATOM 1522 CG HIS A 99 8.411 -9.468 1.605 1.00 0.00 C ATOM 1523 ND1 HIS A 99 8.872 -10.571 2.291 1.00 0.00 N ATOM 1524 CD2 HIS A 99 8.938 -9.552 0.361 1.00 0.00 C ATOM 1525 CE1 HIS A 99 9.645 -11.290 1.496 1.00 0.00 C ATOM 1526 NE2 HIS A 99 9.701 -10.693 0.319 1.00 0.00 N ATOM 0 H HIS A 99 6.979 -5.557 2.827 1.00 0.00 H new ATOM 0 HA HIS A 99 8.973 -7.558 3.515 1.00 0.00 H new ATOM 0 HB2 HIS A 99 6.938 -8.908 3.025 1.00 0.00 H new ATOM 0 HB3 HIS A 99 6.787 -8.111 1.471 1.00 0.00 H new ATOM 0 HD2 HIS A 99 8.787 -8.852 -0.448 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.146 -12.209 1.763 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.226 -11.026 -0.490 1.00 0.00 H new