USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 604 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 72 ASN : amide:sc= 0.286 K(o=-0.53,f=-5!) USER MOD Set 1.2: A 73 SER OG : rot 34:sc= -0.816 USER MOD Set 2.1: A 55 ASN : amide:sc= 1.51 K(o=1.1,f=-12!) USER MOD Set 2.2: A 58 THR OG1 : rot -170:sc= -0.416 USER MOD Set 2.3: A 62 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 32 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 36 LYS NZ :NH3+ 180:sc= 0.733 (180deg=0.733) USER MOD Set 4.1: A 7 SER OG : rot -168:sc= 1.24 USER MOD Set 4.2: A 71 LYS NZ :NH3+ -167:sc= -0.012 (180deg=-0.198) USER MOD Single : A 8 CYS SG : rot 36:sc= 0.137 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0.345 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 2.17 (180deg=1.81) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 110:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 143:sc= 1.22 (180deg=0.806!) USER MOD Single : A 37 GLN : amide:sc= -0.0589 X(o=-0.059,f=-0.25) USER MOD Single : A 39 MET CE :methyl -167:sc= -0.0381 (180deg=-0.339) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -28:sc= 0.81 USER MOD Single : A 52 GLN : amide:sc= 0.727 K(o=0.73,f=-6.6!) USER MOD Single : A 54 THR OG1 : rot -161:sc= -1.11 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 66 ASN : amide:sc= 0.975 K(o=0.98,f=-0.46) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -13.895 2.173 -3.686 1.00 0.00 N ATOM 79 CA SER A 7 -13.263 1.212 -2.864 1.00 0.00 C ATOM 80 C SER A 7 -12.191 1.887 -2.056 1.00 0.00 C ATOM 81 O SER A 7 -11.365 2.614 -2.605 1.00 0.00 O ATOM 82 CB SER A 7 -12.695 0.141 -3.746 1.00 0.00 C ATOM 83 OG SER A 7 -13.744 -0.534 -4.417 1.00 0.00 O ATOM 0 HA SER A 7 -13.971 0.757 -2.171 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.010 0.580 -4.471 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.118 -0.566 -3.150 1.00 0.00 H new ATOM 0 HG SER A 7 -13.393 -1.344 -4.842 1.00 0.00 H new ATOM 89 N CYS A 8 -12.216 1.683 -0.777 1.00 0.00 N ATOM 90 CA CYS A 8 -11.291 2.336 0.093 1.00 0.00 C ATOM 91 C CYS A 8 -10.571 1.332 0.978 1.00 0.00 C ATOM 92 O CYS A 8 -11.209 0.504 1.616 1.00 0.00 O ATOM 93 CB CYS A 8 -12.058 3.351 0.935 1.00 0.00 C ATOM 94 SG CYS A 8 -13.380 2.611 1.931 1.00 0.00 S ATOM 0 H CYS A 8 -12.875 1.062 -0.308 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.530 2.845 -0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.360 3.865 1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.488 4.106 0.277 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.004 1.439 2.349 1.00 0.00 H new ATOM 100 N VAL A 9 -9.263 1.405 0.998 1.00 0.00 N ATOM 101 CA VAL A 9 -8.455 0.545 1.847 1.00 0.00 C ATOM 102 C VAL A 9 -7.908 1.362 2.985 1.00 0.00 C ATOM 103 O VAL A 9 -7.388 2.475 2.778 1.00 0.00 O ATOM 104 CB VAL A 9 -7.262 -0.127 1.068 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.251 -0.755 2.022 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.769 -1.210 0.161 1.00 0.00 C ATOM 0 H VAL A 9 -8.723 2.058 0.430 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.096 -0.258 2.212 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.779 0.662 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.443 -1.209 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.843 0.014 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.744 -1.520 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.931 -1.663 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.278 -1.971 0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.466 -0.784 -0.560 1.00 0.00 H new ATOM 116 N HIS A 10 -8.067 0.838 4.173 1.00 0.00 N ATOM 117 CA HIS A 10 -7.527 1.438 5.350 1.00 0.00 C ATOM 118 C HIS A 10 -6.121 0.947 5.516 1.00 0.00 C ATOM 119 O HIS A 10 -5.893 -0.245 5.737 1.00 0.00 O ATOM 120 CB HIS A 10 -8.376 1.105 6.587 1.00 0.00 C ATOM 121 CG HIS A 10 -9.688 1.831 6.645 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.964 2.860 7.529 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.815 1.661 5.910 1.00 0.00 C ATOM 124 CE1 HIS A 10 -11.210 3.276 7.309 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.778 2.578 6.333 1.00 0.00 N ATOM 0 H HIS A 10 -8.581 -0.026 4.345 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.535 2.523 5.248 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.566 0.032 6.605 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.802 1.342 7.483 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.946 0.933 5.123 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.694 4.074 7.852 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.724 2.689 5.968 1.00 0.00 H new ATOM 133 N TYR A 11 -5.191 1.828 5.368 1.00 0.00 N ATOM 134 CA TYR A 11 -3.811 1.461 5.445 1.00 0.00 C ATOM 135 C TYR A 11 -3.107 2.325 6.460 1.00 0.00 C ATOM 136 O TYR A 11 -3.308 3.534 6.492 1.00 0.00 O ATOM 137 CB TYR A 11 -3.130 1.572 4.051 1.00 0.00 C ATOM 138 CG TYR A 11 -2.936 2.992 3.495 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.925 3.624 2.755 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.741 3.684 3.708 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.730 4.902 2.250 1.00 0.00 C ATOM 142 CE2 TYR A 11 -1.542 4.950 3.206 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.541 5.557 2.480 1.00 0.00 C ATOM 144 OH TYR A 11 -2.342 6.825 1.969 1.00 0.00 O ATOM 0 H TYR A 11 -5.360 2.818 5.191 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.742 0.421 5.764 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.153 1.092 4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.723 1.003 3.335 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.859 3.115 2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.955 3.214 4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.510 5.382 1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.608 5.464 3.381 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.451 7.144 2.224 1.00 0.00 H new ATOM 154 N LYS A 12 -2.335 1.738 7.315 1.00 0.00 N ATOM 155 CA LYS A 12 -1.576 2.534 8.229 1.00 0.00 C ATOM 156 C LYS A 12 -0.115 2.290 7.991 1.00 0.00 C ATOM 157 O LYS A 12 0.314 1.163 7.788 1.00 0.00 O ATOM 158 CB LYS A 12 -1.971 2.339 9.712 1.00 0.00 C ATOM 159 CG LYS A 12 -1.585 1.023 10.344 1.00 0.00 C ATOM 160 CD LYS A 12 -1.993 1.002 11.808 1.00 0.00 C ATOM 161 CE LYS A 12 -1.466 -0.235 12.509 1.00 0.00 C ATOM 162 NZ LYS A 12 -1.795 -0.250 13.938 1.00 0.00 N ATOM 0 H LYS A 12 -2.212 0.729 7.402 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.808 3.580 8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.519 3.142 10.294 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.052 2.454 9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.067 0.202 9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.509 0.872 10.257 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.614 1.894 12.306 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.080 1.031 11.885 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.882 -1.124 12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.384 -0.285 12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.414 -1.114 14.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.377 0.583 14.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.828 -0.229 14.057 1.00 0.00 H new ATOM 176 N PHE A 13 0.626 3.340 7.972 1.00 0.00 N ATOM 177 CA PHE A 13 2.027 3.283 7.688 1.00 0.00 C ATOM 178 C PHE A 13 2.734 3.158 9.013 1.00 0.00 C ATOM 179 O PHE A 13 2.116 3.398 10.050 1.00 0.00 O ATOM 180 CB PHE A 13 2.444 4.595 7.007 1.00 0.00 C ATOM 181 CG PHE A 13 3.484 4.450 5.950 1.00 0.00 C ATOM 182 CD1 PHE A 13 4.804 4.184 6.265 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.125 4.562 4.625 1.00 0.00 C ATOM 184 CE1 PHE A 13 5.739 4.025 5.273 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.052 4.416 3.634 1.00 0.00 C ATOM 186 CZ PHE A 13 5.359 4.141 3.955 1.00 0.00 C ATOM 0 H PHE A 13 0.277 4.281 8.155 1.00 0.00 H new ATOM 0 HA PHE A 13 2.273 2.447 7.034 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.560 5.055 6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.814 5.281 7.769 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.101 4.101 7.300 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.097 4.768 4.367 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.767 3.810 5.525 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.759 4.516 2.600 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.091 4.015 3.171 1.00 0.00 H new ATOM 196 N SER A 14 3.993 2.796 8.995 1.00 0.00 N ATOM 197 CA SER A 14 4.807 2.744 10.203 1.00 0.00 C ATOM 198 C SER A 14 4.807 4.130 10.896 1.00 0.00 C ATOM 199 O SER A 14 4.851 4.235 12.119 1.00 0.00 O ATOM 200 CB SER A 14 6.231 2.372 9.807 1.00 0.00 C ATOM 201 OG SER A 14 6.232 1.255 8.916 1.00 0.00 O ATOM 0 H SER A 14 4.491 2.527 8.146 1.00 0.00 H new ATOM 0 HA SER A 14 4.402 2.005 10.894 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.716 3.224 9.330 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.811 2.133 10.698 1.00 0.00 H new ATOM 0 HG SER A 14 7.155 1.032 8.672 1.00 0.00 H new ATOM 207 N SER A 15 4.714 5.166 10.082 1.00 0.00 N ATOM 208 CA SER A 15 4.705 6.538 10.531 1.00 0.00 C ATOM 209 C SER A 15 3.292 6.989 10.992 1.00 0.00 C ATOM 210 O SER A 15 3.138 8.065 11.565 1.00 0.00 O ATOM 211 CB SER A 15 5.169 7.399 9.361 1.00 0.00 C ATOM 212 OG SER A 15 6.304 6.803 8.736 1.00 0.00 O ATOM 0 H SER A 15 4.641 5.070 9.069 1.00 0.00 H new ATOM 0 HA SER A 15 5.365 6.643 11.392 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.361 7.509 8.637 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.421 8.400 9.713 1.00 0.00 H new ATOM 0 HG SER A 15 6.595 7.361 7.985 1.00 0.00 H new ATOM 218 N LYS A 16 2.277 6.167 10.758 1.00 0.00 N ATOM 219 CA LYS A 16 0.910 6.534 11.097 1.00 0.00 C ATOM 220 C LYS A 16 0.417 5.729 12.283 1.00 0.00 C ATOM 221 O LYS A 16 0.796 4.561 12.464 1.00 0.00 O ATOM 222 CB LYS A 16 -0.038 6.248 9.926 1.00 0.00 C ATOM 223 CG LYS A 16 0.263 6.963 8.618 1.00 0.00 C ATOM 224 CD LYS A 16 -0.703 6.484 7.538 1.00 0.00 C ATOM 225 CE LYS A 16 -0.346 6.986 6.145 1.00 0.00 C ATOM 226 NZ LYS A 16 -0.480 8.440 5.988 1.00 0.00 N ATOM 0 H LYS A 16 2.375 5.244 10.336 1.00 0.00 H new ATOM 0 HA LYS A 16 0.915 7.598 11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.032 5.175 9.737 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.050 6.512 10.234 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.170 8.041 8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.291 6.767 8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.718 5.394 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.711 6.815 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.680 6.698 5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.986 6.490 5.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.064 8.731 5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.487 8.700 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.016 8.920 6.766 1.00 0.00 H new ATOM 240 N LEU A 17 -0.402 6.336 13.087 1.00 0.00 N ATOM 241 CA LEU A 17 -1.074 5.627 14.139 1.00 0.00 C ATOM 242 C LEU A 17 -2.413 5.161 13.613 1.00 0.00 C ATOM 243 O LEU A 17 -2.789 4.006 13.763 1.00 0.00 O ATOM 244 CB LEU A 17 -1.299 6.514 15.363 1.00 0.00 C ATOM 245 CG LEU A 17 -2.010 5.840 16.543 1.00 0.00 C ATOM 246 CD1 LEU A 17 -1.164 4.717 17.130 1.00 0.00 C ATOM 247 CD2 LEU A 17 -2.374 6.857 17.603 1.00 0.00 C ATOM 0 H LEU A 17 -0.624 7.330 13.035 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.454 4.785 14.446 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.332 6.883 15.706 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.882 7.383 15.058 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.932 5.396 16.168 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.695 4.259 17.964 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.975 3.965 16.364 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.215 5.122 17.482 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.877 6.356 18.430 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.469 7.341 17.969 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.039 7.607 17.175 1.00 0.00 H new ATOM 259 N ASN A 18 -3.104 6.057 12.956 1.00 0.00 N ATOM 260 CA ASN A 18 -4.428 5.769 12.460 1.00 0.00 C ATOM 261 C ASN A 18 -4.354 5.375 11.018 1.00 0.00 C ATOM 262 O ASN A 18 -3.406 5.749 10.305 1.00 0.00 O ATOM 263 CB ASN A 18 -5.374 6.971 12.617 1.00 0.00 C ATOM 264 CG ASN A 18 -5.569 7.409 14.056 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.849 8.272 14.551 1.00 0.00 O ATOM 266 ND2 ASN A 18 -6.528 6.835 14.730 1.00 0.00 N ATOM 0 H ASN A 18 -2.770 6.999 12.750 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.831 4.947 13.052 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.981 7.809 12.041 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.344 6.717 12.189 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.699 7.100 15.700 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.107 6.122 14.287 1.00 0.00 H new ATOM 273 N TYR A 19 -5.336 4.640 10.575 1.00 0.00 N ATOM 274 CA TYR A 19 -5.382 4.198 9.212 1.00 0.00 C ATOM 275 C TYR A 19 -5.789 5.316 8.295 1.00 0.00 C ATOM 276 O TYR A 19 -6.724 6.079 8.584 1.00 0.00 O ATOM 277 CB TYR A 19 -6.328 3.020 9.016 1.00 0.00 C ATOM 278 CG TYR A 19 -5.880 1.724 9.656 1.00 0.00 C ATOM 279 CD1 TYR A 19 -6.189 1.419 10.972 1.00 0.00 C ATOM 280 CD2 TYR A 19 -5.149 0.803 8.930 1.00 0.00 C ATOM 281 CE1 TYR A 19 -5.777 0.232 11.541 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.734 -0.381 9.485 1.00 0.00 C ATOM 283 CZ TYR A 19 -5.049 -0.665 10.789 1.00 0.00 C ATOM 284 OH TYR A 19 -4.617 -1.839 11.348 1.00 0.00 O ATOM 0 H TYR A 19 -6.123 4.332 11.147 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.373 3.870 8.964 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.305 3.287 9.419 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.459 2.853 7.947 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.761 2.121 11.561 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.899 1.020 7.902 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.023 0.007 12.568 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.163 -1.085 8.898 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.115 -2.589 10.960 1.00 0.00 H new ATOM 294 N ASP A 20 -5.093 5.401 7.216 1.00 0.00 N ATOM 295 CA ASP A 20 -5.338 6.355 6.170 1.00 0.00 C ATOM 296 C ASP A 20 -6.210 5.623 5.167 1.00 0.00 C ATOM 297 O ASP A 20 -6.462 4.419 5.340 1.00 0.00 O ATOM 298 CB ASP A 20 -4.005 6.732 5.528 1.00 0.00 C ATOM 299 CG ASP A 20 -3.993 8.079 4.802 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.878 8.346 3.948 1.00 0.00 O ATOM 301 OD2 ASP A 20 -3.076 8.905 5.084 1.00 0.00 O ATOM 0 H ASP A 20 -4.303 4.786 7.022 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.814 7.268 6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.238 6.747 6.302 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.727 5.952 4.819 1.00 0.00 H new ATOM 306 N THR A 21 -6.620 6.261 4.136 1.00 0.00 N ATOM 307 CA THR A 21 -7.532 5.659 3.229 1.00 0.00 C ATOM 308 C THR A 21 -7.154 5.937 1.806 1.00 0.00 C ATOM 309 O THR A 21 -6.868 7.081 1.435 1.00 0.00 O ATOM 310 CB THR A 21 -8.997 6.076 3.521 1.00 0.00 C ATOM 311 OG1 THR A 21 -9.037 7.340 4.219 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.721 5.015 4.334 1.00 0.00 C ATOM 0 H THR A 21 -6.337 7.211 3.894 1.00 0.00 H new ATOM 0 HA THR A 21 -7.470 4.581 3.380 1.00 0.00 H new ATOM 0 HB THR A 21 -9.506 6.182 2.563 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.969 7.588 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.745 5.337 4.522 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.732 4.076 3.780 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.206 4.870 5.284 1.00 0.00 H new ATOM 320 N VAL A 22 -7.066 4.900 1.033 1.00 0.00 N ATOM 321 CA VAL A 22 -6.787 5.045 -0.357 1.00 0.00 C ATOM 322 C VAL A 22 -8.021 4.604 -1.127 1.00 0.00 C ATOM 323 O VAL A 22 -8.663 3.617 -0.753 1.00 0.00 O ATOM 324 CB VAL A 22 -5.512 4.245 -0.791 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.712 2.738 -0.813 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.937 4.782 -2.082 1.00 0.00 C ATOM 0 H VAL A 22 -7.185 3.937 1.347 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.563 6.088 -0.579 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.768 4.410 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.787 2.253 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.987 2.393 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.506 2.487 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.054 4.205 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.682 4.701 -2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.660 5.828 -1.950 1.00 0.00 H new ATOM 336 N THR A 23 -8.393 5.349 -2.127 1.00 0.00 N ATOM 337 CA THR A 23 -9.561 5.039 -2.893 1.00 0.00 C ATOM 338 C THR A 23 -9.204 4.622 -4.309 1.00 0.00 C ATOM 339 O THR A 23 -8.289 5.186 -4.926 1.00 0.00 O ATOM 340 CB THR A 23 -10.550 6.217 -2.877 1.00 0.00 C ATOM 341 OG1 THR A 23 -9.829 7.442 -3.052 1.00 0.00 O ATOM 342 CG2 THR A 23 -11.318 6.263 -1.562 1.00 0.00 C ATOM 0 H THR A 23 -7.896 6.186 -2.432 1.00 0.00 H new ATOM 0 HA THR A 23 -10.053 4.186 -2.427 1.00 0.00 H new ATOM 0 HB THR A 23 -11.264 6.084 -3.689 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.456 8.195 -3.044 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.011 7.104 -1.575 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.876 5.335 -1.434 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.617 6.382 -0.735 1.00 0.00 H new ATOM 350 N PHE A 24 -9.885 3.616 -4.790 1.00 0.00 N ATOM 351 CA PHE A 24 -9.655 3.063 -6.103 1.00 0.00 C ATOM 352 C PHE A 24 -10.939 2.460 -6.635 1.00 0.00 C ATOM 353 O PHE A 24 -11.973 2.443 -5.932 1.00 0.00 O ATOM 354 CB PHE A 24 -8.538 1.988 -6.049 1.00 0.00 C ATOM 355 CG PHE A 24 -8.780 0.887 -5.041 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.424 1.068 -3.725 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.366 -0.320 -5.408 1.00 0.00 C ATOM 358 CE1 PHE A 24 -8.639 0.093 -2.798 1.00 0.00 C ATOM 359 CE2 PHE A 24 -9.583 -1.310 -4.468 1.00 0.00 C ATOM 360 CZ PHE A 24 -9.220 -1.102 -3.166 1.00 0.00 C ATOM 0 H PHE A 24 -10.629 3.148 -4.273 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.332 3.861 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.432 1.542 -7.038 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.592 2.476 -5.816 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -7.967 1.998 -3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.654 -0.485 -6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.353 0.257 -1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.038 -2.245 -4.761 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.388 -1.872 -2.428 1.00 0.00 H new ATOM 370 N ASP A 25 -10.884 1.990 -7.853 1.00 0.00 N ATOM 371 CA ASP A 25 -11.975 1.303 -8.480 1.00 0.00 C ATOM 372 C ASP A 25 -11.667 -0.165 -8.481 1.00 0.00 C ATOM 373 O ASP A 25 -10.496 -0.552 -8.525 1.00 0.00 O ATOM 374 CB ASP A 25 -12.186 1.790 -9.910 1.00 0.00 C ATOM 375 CG ASP A 25 -12.831 3.148 -10.001 1.00 0.00 C ATOM 376 OD1 ASP A 25 -14.077 3.224 -9.992 1.00 0.00 O ATOM 377 OD2 ASP A 25 -12.116 4.167 -10.106 1.00 0.00 O ATOM 0 H ASP A 25 -10.060 2.078 -8.448 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.892 1.503 -7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.223 1.821 -10.419 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.805 1.068 -10.442 1.00 0.00 H new ATOM 382 N GLY A 26 -12.682 -0.980 -8.431 1.00 0.00 N ATOM 383 CA GLY A 26 -12.476 -2.403 -8.354 1.00 0.00 C ATOM 384 C GLY A 26 -12.519 -2.850 -6.920 1.00 0.00 C ATOM 385 O GLY A 26 -12.377 -2.034 -6.028 1.00 0.00 O ATOM 0 H GLY A 26 -13.659 -0.687 -8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.243 -2.922 -8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.515 -2.664 -8.797 1.00 0.00 H new ATOM 389 N LEU A 27 -12.720 -4.123 -6.676 1.00 0.00 N ATOM 390 CA LEU A 27 -12.820 -4.619 -5.298 1.00 0.00 C ATOM 391 C LEU A 27 -11.427 -4.578 -4.654 1.00 0.00 C ATOM 392 O LEU A 27 -11.270 -4.310 -3.450 1.00 0.00 O ATOM 393 CB LEU A 27 -13.368 -6.069 -5.295 1.00 0.00 C ATOM 394 CG LEU A 27 -14.196 -6.542 -4.062 1.00 0.00 C ATOM 395 CD1 LEU A 27 -14.548 -8.011 -4.186 1.00 0.00 C ATOM 396 CD2 LEU A 27 -13.508 -6.276 -2.728 1.00 0.00 C ATOM 0 H LEU A 27 -12.818 -4.839 -7.396 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.505 -3.991 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.991 -6.191 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.520 -6.745 -5.406 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.108 -5.945 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.126 -8.321 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.138 -8.169 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.633 -8.601 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.141 -6.631 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.553 -6.801 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.337 -5.206 -2.614 1.00 0.00 H new ATOM 408 N HIS A 28 -10.438 -4.793 -5.463 1.00 0.00 N ATOM 409 CA HIS A 28 -9.079 -4.870 -5.010 1.00 0.00 C ATOM 410 C HIS A 28 -8.139 -4.171 -5.922 1.00 0.00 C ATOM 411 O HIS A 28 -8.463 -3.902 -7.081 1.00 0.00 O ATOM 412 CB HIS A 28 -8.631 -6.315 -4.735 1.00 0.00 C ATOM 413 CG HIS A 28 -9.105 -7.352 -5.704 1.00 0.00 C ATOM 414 ND1 HIS A 28 -9.637 -8.548 -5.302 1.00 0.00 N ATOM 415 CD2 HIS A 28 -9.113 -7.369 -7.053 1.00 0.00 C ATOM 416 CE1 HIS A 28 -9.953 -9.248 -6.390 1.00 0.00 C ATOM 417 NE2 HIS A 28 -9.654 -8.575 -7.491 1.00 0.00 N ATOM 0 H HIS A 28 -10.549 -4.922 -6.469 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.050 -4.343 -4.056 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.541 -6.338 -4.716 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.973 -6.596 -3.739 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.757 -6.574 -7.691 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.394 -10.234 -6.376 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.791 -8.876 -8.456 1.00 0.00 H new ATOM 425 N ILE A 29 -7.004 -3.851 -5.387 1.00 0.00 N ATOM 426 CA ILE A 29 -5.989 -3.164 -6.097 1.00 0.00 C ATOM 427 C ILE A 29 -4.665 -3.890 -5.970 1.00 0.00 C ATOM 428 O ILE A 29 -4.262 -4.281 -4.874 1.00 0.00 O ATOM 429 CB ILE A 29 -5.867 -1.677 -5.620 1.00 0.00 C ATOM 430 CG1 ILE A 29 -4.731 -0.963 -6.339 1.00 0.00 C ATOM 431 CG2 ILE A 29 -5.670 -1.589 -4.103 1.00 0.00 C ATOM 432 CD1 ILE A 29 -4.743 0.543 -6.170 1.00 0.00 C ATOM 0 H ILE A 29 -6.758 -4.068 -4.421 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.267 -3.146 -7.151 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.804 -1.180 -5.871 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.781 -1.352 -5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.782 -1.199 -7.402 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.589 -0.543 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.522 -2.044 -3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.758 -2.117 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.903 0.977 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.676 0.946 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.659 0.791 -5.112 1.00 0.00 H new ATOM 444 N SER A 30 -4.050 -4.146 -7.091 1.00 0.00 N ATOM 445 CA SER A 30 -2.736 -4.713 -7.144 1.00 0.00 C ATOM 446 C SER A 30 -1.769 -3.842 -6.377 1.00 0.00 C ATOM 447 O SER A 30 -1.845 -2.610 -6.421 1.00 0.00 O ATOM 448 CB SER A 30 -2.275 -4.848 -8.594 1.00 0.00 C ATOM 449 OG SER A 30 -0.950 -5.345 -8.708 1.00 0.00 O ATOM 0 H SER A 30 -4.457 -3.962 -8.008 1.00 0.00 H new ATOM 0 HA SER A 30 -2.763 -5.704 -6.691 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.955 -5.514 -9.126 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.336 -3.875 -9.082 1.00 0.00 H new ATOM 0 HG SER A 30 -0.706 -5.413 -9.655 1.00 0.00 H new ATOM 455 N LEU A 31 -0.864 -4.493 -5.708 1.00 0.00 N ATOM 456 CA LEU A 31 0.129 -3.890 -4.893 1.00 0.00 C ATOM 457 C LEU A 31 0.976 -2.930 -5.702 1.00 0.00 C ATOM 458 O LEU A 31 1.393 -1.905 -5.199 1.00 0.00 O ATOM 459 CB LEU A 31 1.005 -4.971 -4.277 1.00 0.00 C ATOM 460 CG LEU A 31 2.098 -4.478 -3.361 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.517 -3.820 -2.129 1.00 0.00 C ATOM 462 CD2 LEU A 31 3.032 -5.586 -2.984 1.00 0.00 C ATOM 0 H LEU A 31 -0.802 -5.511 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.361 -3.325 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.368 -5.656 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.462 -5.547 -5.082 1.00 0.00 H new ATOM 0 HG LEU A 31 2.673 -3.729 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.326 -3.474 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.901 -2.971 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.905 -4.540 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.808 -5.199 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.477 -6.371 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.492 -5.996 -3.883 1.00 0.00 H new ATOM 474 N CYS A 32 1.211 -3.268 -6.963 1.00 0.00 N ATOM 475 CA CYS A 32 1.979 -2.413 -7.848 1.00 0.00 C ATOM 476 C CYS A 32 1.302 -1.054 -7.936 1.00 0.00 C ATOM 477 O CYS A 32 1.918 -0.029 -7.722 1.00 0.00 O ATOM 478 CB CYS A 32 2.036 -3.018 -9.261 1.00 0.00 C ATOM 479 SG CYS A 32 3.296 -2.292 -10.344 1.00 0.00 S ATOM 0 H CYS A 32 0.878 -4.131 -7.393 1.00 0.00 H new ATOM 0 HA CYS A 32 2.990 -2.317 -7.453 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.222 -4.089 -9.176 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.060 -2.900 -9.732 1.00 0.00 H new ATOM 0 HG CYS A 32 3.258 -2.875 -11.505 1.00 0.00 H new ATOM 485 N ASP A 33 0.011 -1.078 -8.126 1.00 0.00 N ATOM 486 CA ASP A 33 -0.753 0.135 -8.308 1.00 0.00 C ATOM 487 C ASP A 33 -0.903 0.848 -6.975 1.00 0.00 C ATOM 488 O ASP A 33 -0.723 2.067 -6.878 1.00 0.00 O ATOM 489 CB ASP A 33 -2.113 -0.202 -8.907 1.00 0.00 C ATOM 490 CG ASP A 33 -2.753 0.976 -9.582 1.00 0.00 C ATOM 491 OD1 ASP A 33 -3.331 1.833 -8.910 1.00 0.00 O ATOM 492 OD2 ASP A 33 -2.686 1.056 -10.836 1.00 0.00 O ATOM 0 H ASP A 33 -0.543 -1.934 -8.160 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.232 0.801 -8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.998 -1.011 -9.628 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.772 -0.568 -8.120 1.00 0.00 H new ATOM 497 N LEU A 34 -1.156 0.047 -5.952 1.00 0.00 N ATOM 498 CA LEU A 34 -1.347 0.486 -4.570 1.00 0.00 C ATOM 499 C LEU A 34 -0.107 1.236 -4.045 1.00 0.00 C ATOM 500 O LEU A 34 -0.224 2.334 -3.493 1.00 0.00 O ATOM 501 CB LEU A 34 -1.674 -0.798 -3.725 1.00 0.00 C ATOM 502 CG LEU A 34 -1.868 -0.747 -2.178 1.00 0.00 C ATOM 503 CD1 LEU A 34 -0.587 -0.479 -1.426 1.00 0.00 C ATOM 504 CD2 LEU A 34 -2.942 0.224 -1.754 1.00 0.00 C ATOM 0 H LEU A 34 -1.238 -0.964 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.168 1.199 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.587 -1.223 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.873 -1.512 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.200 -1.749 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.791 -0.456 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.133 -1.268 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.176 0.481 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.032 0.216 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.678 1.227 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.893 -0.069 -2.199 1.00 0.00 H new ATOM 516 N LYS A 35 1.068 0.670 -4.263 1.00 0.00 N ATOM 517 CA LYS A 35 2.307 1.275 -3.794 1.00 0.00 C ATOM 518 C LYS A 35 2.585 2.553 -4.514 1.00 0.00 C ATOM 519 O LYS A 35 2.951 3.545 -3.900 1.00 0.00 O ATOM 520 CB LYS A 35 3.486 0.337 -3.955 1.00 0.00 C ATOM 521 CG LYS A 35 3.366 -0.906 -3.122 1.00 0.00 C ATOM 522 CD LYS A 35 4.608 -1.767 -3.178 1.00 0.00 C ATOM 523 CE LYS A 35 4.978 -2.267 -4.528 1.00 0.00 C ATOM 524 NZ LYS A 35 6.205 -3.100 -4.451 1.00 0.00 N ATOM 0 H LYS A 35 1.192 -0.210 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 35 2.175 1.483 -2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.579 0.057 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.401 0.863 -3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.168 -0.627 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.510 -1.487 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.445 -1.194 -2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.466 -2.623 -2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.158 -2.853 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.143 -1.426 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.129 -3.893 -5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.034 -2.521 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.313 -3.470 -3.485 1.00 0.00 H new ATOM 538 N LYS A 36 2.381 2.532 -5.815 1.00 0.00 N ATOM 539 CA LYS A 36 2.587 3.703 -6.642 1.00 0.00 C ATOM 540 C LYS A 36 1.637 4.846 -6.222 1.00 0.00 C ATOM 541 O LYS A 36 2.030 6.016 -6.225 1.00 0.00 O ATOM 542 CB LYS A 36 2.441 3.353 -8.137 1.00 0.00 C ATOM 543 CG LYS A 36 3.700 2.757 -8.854 1.00 0.00 C ATOM 544 CD LYS A 36 4.338 1.542 -8.142 1.00 0.00 C ATOM 545 CE LYS A 36 5.449 0.908 -8.989 1.00 0.00 C ATOM 546 NZ LYS A 36 6.079 -0.298 -8.345 1.00 0.00 N ATOM 0 H LYS A 36 2.069 1.707 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 36 3.607 4.057 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.623 2.640 -8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.144 4.257 -8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.419 2.461 -9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.452 3.541 -8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.747 1.856 -7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.570 0.798 -7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.038 0.621 -9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.221 1.654 -9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.820 -0.677 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.499 -0.025 -7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.353 -1.026 -8.187 1.00 0.00 H new ATOM 560 N GLN A 37 0.406 4.491 -5.801 1.00 0.00 N ATOM 561 CA GLN A 37 -0.548 5.475 -5.289 1.00 0.00 C ATOM 562 C GLN A 37 -0.006 6.122 -4.032 1.00 0.00 C ATOM 563 O GLN A 37 0.058 7.348 -3.929 1.00 0.00 O ATOM 564 CB GLN A 37 -1.912 4.830 -4.962 1.00 0.00 C ATOM 565 CG GLN A 37 -2.728 4.403 -6.166 1.00 0.00 C ATOM 566 CD GLN A 37 -3.171 5.580 -7.007 1.00 0.00 C ATOM 567 OE1 GLN A 37 -2.466 6.011 -7.920 1.00 0.00 O ATOM 568 NE2 GLN A 37 -4.340 6.100 -6.721 1.00 0.00 N ATOM 0 H GLN A 37 0.057 3.532 -5.808 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.691 6.223 -6.069 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.742 3.958 -4.331 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.500 5.537 -4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.137 3.723 -6.780 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.605 3.849 -5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.896 5.716 -5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.694 6.889 -7.263 1.00 0.00 H new ATOM 577 N ILE A 38 0.433 5.289 -3.109 1.00 0.00 N ATOM 578 CA ILE A 38 0.904 5.735 -1.797 1.00 0.00 C ATOM 579 C ILE A 38 2.217 6.499 -1.899 1.00 0.00 C ATOM 580 O ILE A 38 2.369 7.574 -1.296 1.00 0.00 O ATOM 581 CB ILE A 38 1.050 4.543 -0.804 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.315 3.876 -0.576 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.660 5.001 0.532 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.263 2.649 0.305 1.00 0.00 C ATOM 0 H ILE A 38 0.476 4.278 -3.241 1.00 0.00 H new ATOM 0 HA ILE A 38 0.146 6.414 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 38 1.730 3.814 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.992 4.603 -0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.738 3.599 -1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.749 4.147 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.647 5.427 0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.016 5.754 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.266 2.238 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.387 1.902 -0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.128 2.921 1.285 1.00 0.00 H new ATOM 596 N MET A 39 3.147 5.978 -2.677 1.00 0.00 N ATOM 597 CA MET A 39 4.447 6.609 -2.815 1.00 0.00 C ATOM 598 C MET A 39 4.334 7.949 -3.496 1.00 0.00 C ATOM 599 O MET A 39 4.969 8.907 -3.082 1.00 0.00 O ATOM 600 CB MET A 39 5.489 5.707 -3.500 1.00 0.00 C ATOM 601 CG MET A 39 5.831 4.449 -2.703 1.00 0.00 C ATOM 602 SD MET A 39 7.189 3.492 -3.409 1.00 0.00 S ATOM 603 CE MET A 39 6.486 3.023 -4.978 1.00 0.00 C ATOM 0 H MET A 39 3.028 5.123 -3.221 1.00 0.00 H new ATOM 0 HA MET A 39 4.817 6.775 -1.803 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.114 5.414 -4.481 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.401 6.281 -3.665 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.090 4.734 -1.684 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.946 3.816 -2.641 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.099 2.245 -5.433 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.475 2.646 -4.825 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.454 3.891 -5.636 1.00 0.00 H new ATOM 613 N GLY A 40 3.490 8.036 -4.498 1.00 0.00 N ATOM 614 CA GLY A 40 3.281 9.301 -5.158 1.00 0.00 C ATOM 615 C GLY A 40 2.577 10.287 -4.245 1.00 0.00 C ATOM 616 O GLY A 40 2.912 11.470 -4.210 1.00 0.00 O ATOM 0 H GLY A 40 2.945 7.258 -4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.240 9.713 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.688 9.150 -6.060 1.00 0.00 H new ATOM 620 N ARG A 41 1.650 9.769 -3.453 1.00 0.00 N ATOM 621 CA ARG A 41 0.847 10.568 -2.546 1.00 0.00 C ATOM 622 C ARG A 41 1.688 11.198 -1.455 1.00 0.00 C ATOM 623 O ARG A 41 1.601 12.395 -1.203 1.00 0.00 O ATOM 624 CB ARG A 41 -0.254 9.705 -1.913 1.00 0.00 C ATOM 625 CG ARG A 41 -1.041 10.401 -0.817 1.00 0.00 C ATOM 626 CD ARG A 41 -2.090 9.493 -0.222 1.00 0.00 C ATOM 627 NE ARG A 41 -3.183 9.200 -1.153 1.00 0.00 N ATOM 628 CZ ARG A 41 -4.350 8.639 -0.797 1.00 0.00 C ATOM 629 NH1 ARG A 41 -4.494 8.085 0.414 1.00 0.00 N ATOM 630 NH2 ARG A 41 -5.344 8.577 -1.673 1.00 0.00 N ATOM 0 H ARG A 41 1.434 8.773 -3.423 1.00 0.00 H new ATOM 0 HA ARG A 41 0.396 11.370 -3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.945 9.387 -2.694 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.199 8.803 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.359 10.732 -0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.519 11.293 -1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.622 8.558 0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.498 9.957 0.676 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.049 9.438 -2.136 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.715 8.088 1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.383 7.661 0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.220 8.954 -2.612 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.232 8.152 -1.407 1.00 0.00 H new ATOM 644 N GLU A 42 2.512 10.409 -0.816 1.00 0.00 N ATOM 645 CA GLU A 42 3.264 10.913 0.311 1.00 0.00 C ATOM 646 C GLU A 42 4.695 11.201 -0.012 1.00 0.00 C ATOM 647 O GLU A 42 5.537 11.303 0.881 1.00 0.00 O ATOM 648 CB GLU A 42 3.156 10.021 1.493 1.00 0.00 C ATOM 649 CG GLU A 42 1.734 9.932 2.032 1.00 0.00 C ATOM 650 CD GLU A 42 1.616 9.215 3.348 1.00 0.00 C ATOM 651 OE1 GLU A 42 2.470 9.425 4.239 1.00 0.00 O ATOM 652 OE2 GLU A 42 0.633 8.479 3.541 1.00 0.00 O ATOM 0 H GLU A 42 2.680 9.430 -1.049 1.00 0.00 H new ATOM 0 HA GLU A 42 2.804 11.869 0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.501 9.023 1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.817 10.385 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.336 10.941 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.110 9.423 1.297 1.00 0.00 H new ATOM 659 N LYS A 43 4.952 11.348 -1.289 1.00 0.00 N ATOM 660 CA LYS A 43 6.238 11.799 -1.825 1.00 0.00 C ATOM 661 C LYS A 43 7.350 10.815 -1.460 1.00 0.00 C ATOM 662 O LYS A 43 8.500 11.211 -1.247 1.00 0.00 O ATOM 663 CB LYS A 43 6.601 13.228 -1.294 1.00 0.00 C ATOM 664 CG LYS A 43 5.416 14.198 -1.088 1.00 0.00 C ATOM 665 CD LYS A 43 4.474 14.255 -2.274 1.00 0.00 C ATOM 666 CE LYS A 43 3.317 15.202 -2.000 1.00 0.00 C ATOM 667 NZ LYS A 43 2.444 15.377 -3.174 1.00 0.00 N ATOM 0 H LYS A 43 4.261 11.155 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 43 6.145 11.845 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.124 13.118 -0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.302 13.686 -1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.857 13.894 -0.203 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.804 15.198 -0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.017 14.584 -3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.090 13.257 -2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.728 14.820 -1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.709 16.172 -1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.671 16.031 -2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.998 15.767 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.047 14.457 -3.451 1.00 0.00 H new ATOM 681 N LEU A 44 7.017 9.533 -1.406 1.00 0.00 N ATOM 682 CA LEU A 44 8.004 8.541 -1.093 1.00 0.00 C ATOM 683 C LEU A 44 8.942 8.369 -2.245 1.00 0.00 C ATOM 684 O LEU A 44 8.508 8.265 -3.406 1.00 0.00 O ATOM 685 CB LEU A 44 7.446 7.167 -0.706 1.00 0.00 C ATOM 686 CG LEU A 44 6.834 7.017 0.681 1.00 0.00 C ATOM 687 CD1 LEU A 44 5.485 7.669 0.777 1.00 0.00 C ATOM 688 CD2 LEU A 44 6.755 5.565 1.065 1.00 0.00 C ATOM 0 H LEU A 44 6.079 9.170 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 44 8.514 8.925 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.687 6.895 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.253 6.439 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 44 7.488 7.532 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.088 7.536 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.579 8.733 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.808 7.211 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.316 5.475 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.135 5.031 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.757 5.135 1.071 1.00 0.00 H new ATOM 700 N LYS A 45 10.202 8.363 -1.943 1.00 0.00 N ATOM 701 CA LYS A 45 11.223 8.190 -2.924 1.00 0.00 C ATOM 702 C LYS A 45 11.261 6.740 -3.442 1.00 0.00 C ATOM 703 O LYS A 45 11.798 5.822 -2.799 1.00 0.00 O ATOM 704 CB LYS A 45 12.559 8.678 -2.367 1.00 0.00 C ATOM 705 CG LYS A 45 12.895 8.154 -0.977 1.00 0.00 C ATOM 706 CD LYS A 45 14.185 8.746 -0.443 1.00 0.00 C ATOM 707 CE LYS A 45 14.047 10.237 -0.161 1.00 0.00 C ATOM 708 NZ LYS A 45 15.282 10.801 0.407 1.00 0.00 N ATOM 0 H LYS A 45 10.554 8.480 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 45 10.999 8.801 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.353 8.384 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.549 9.768 -2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.079 8.389 -0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.981 7.068 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.472 8.228 0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.986 8.585 -1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.799 10.760 -1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.220 10.401 0.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.150 11.817 0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.505 10.319 1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.066 10.666 -0.264 1.00 0.00 H new ATOM 722 N ALA A 46 10.692 6.554 -4.614 1.00 0.00 N ATOM 723 CA ALA A 46 10.512 5.239 -5.220 1.00 0.00 C ATOM 724 C ALA A 46 11.792 4.692 -5.841 1.00 0.00 C ATOM 725 O ALA A 46 11.836 3.539 -6.285 1.00 0.00 O ATOM 726 CB ALA A 46 9.397 5.292 -6.253 1.00 0.00 C ATOM 0 H ALA A 46 10.334 7.319 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 46 10.238 4.551 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.269 4.307 -6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.468 5.595 -5.770 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.654 6.013 -7.029 1.00 0.00 H new ATOM 732 N ALA A 47 12.822 5.507 -5.901 1.00 0.00 N ATOM 733 CA ALA A 47 14.106 5.058 -6.433 1.00 0.00 C ATOM 734 C ALA A 47 15.040 4.668 -5.300 1.00 0.00 C ATOM 735 O ALA A 47 16.178 4.242 -5.518 1.00 0.00 O ATOM 736 CB ALA A 47 14.734 6.119 -7.332 1.00 0.00 C ATOM 0 H ALA A 47 12.804 6.479 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 47 13.932 4.176 -7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.688 5.755 -7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.067 6.329 -8.168 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.896 7.032 -6.759 1.00 0.00 H new ATOM 742 N ASP A 48 14.546 4.808 -4.100 1.00 0.00 N ATOM 743 CA ASP A 48 15.298 4.478 -2.899 1.00 0.00 C ATOM 744 C ASP A 48 14.694 3.300 -2.192 1.00 0.00 C ATOM 745 O ASP A 48 15.400 2.394 -1.721 1.00 0.00 O ATOM 746 CB ASP A 48 15.311 5.672 -1.959 1.00 0.00 C ATOM 747 CG ASP A 48 15.818 5.353 -0.556 1.00 0.00 C ATOM 748 OD1 ASP A 48 17.050 5.304 -0.349 1.00 0.00 O ATOM 749 OD2 ASP A 48 14.979 5.190 0.367 1.00 0.00 O ATOM 0 H ASP A 48 13.605 5.156 -3.917 1.00 0.00 H new ATOM 0 HA ASP A 48 16.316 4.224 -3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.936 6.454 -2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.301 6.075 -1.886 1.00 0.00 H new ATOM 754 N CYS A 49 13.406 3.276 -2.133 1.00 0.00 N ATOM 755 CA CYS A 49 12.755 2.271 -1.380 1.00 0.00 C ATOM 756 C CYS A 49 11.620 1.650 -2.154 1.00 0.00 C ATOM 757 O CYS A 49 11.206 2.158 -3.202 1.00 0.00 O ATOM 758 CB CYS A 49 12.241 2.884 -0.076 1.00 0.00 C ATOM 759 SG CYS A 49 11.094 4.266 -0.319 1.00 0.00 S ATOM 0 H CYS A 49 12.788 3.941 -2.598 1.00 0.00 H new ATOM 0 HA CYS A 49 13.469 1.477 -1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.743 2.109 0.507 1.00 0.00 H new ATOM 0 HB3 CYS A 49 13.091 3.229 0.512 1.00 0.00 H new ATOM 0 HG CYS A 49 11.357 4.855 -1.448 1.00 0.00 H new ATOM 765 N ASP A 50 11.160 0.557 -1.644 1.00 0.00 N ATOM 766 CA ASP A 50 10.026 -0.137 -2.149 1.00 0.00 C ATOM 767 C ASP A 50 9.031 -0.087 -1.040 1.00 0.00 C ATOM 768 O ASP A 50 9.382 0.237 0.114 1.00 0.00 O ATOM 769 CB ASP A 50 10.351 -1.606 -2.462 1.00 0.00 C ATOM 770 CG ASP A 50 9.225 -2.320 -3.240 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.310 -1.630 -3.780 1.00 0.00 O ATOM 772 OD2 ASP A 50 9.235 -3.565 -3.341 1.00 0.00 O ATOM 0 H ASP A 50 11.581 0.106 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 50 9.672 0.313 -3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.272 -1.653 -3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.535 -2.139 -1.529 1.00 0.00 H new ATOM 777 N LEU A 51 7.856 -0.402 -1.314 1.00 0.00 N ATOM 778 CA LEU A 51 6.876 -0.328 -0.332 1.00 0.00 C ATOM 779 C LEU A 51 6.413 -1.756 -0.013 1.00 0.00 C ATOM 780 O LEU A 51 6.106 -2.532 -0.896 1.00 0.00 O ATOM 781 CB LEU A 51 5.775 0.619 -0.826 1.00 0.00 C ATOM 782 CG LEU A 51 4.852 1.198 0.206 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.646 1.904 1.280 1.00 0.00 C ATOM 784 CD2 LEU A 51 3.894 2.168 -0.441 1.00 0.00 C ATOM 0 H LEU A 51 7.535 -0.721 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 51 7.235 0.091 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.252 1.445 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.170 0.081 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 51 4.285 0.386 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.965 2.320 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.318 1.194 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.229 2.709 0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.229 2.582 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.456 2.975 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.305 1.648 -1.196 1.00 0.00 H new ATOM 796 N GLN A 52 6.468 -2.119 1.217 1.00 0.00 N ATOM 797 CA GLN A 52 6.106 -3.446 1.630 1.00 0.00 C ATOM 798 C GLN A 52 4.831 -3.397 2.446 1.00 0.00 C ATOM 799 O GLN A 52 4.810 -2.894 3.565 1.00 0.00 O ATOM 800 CB GLN A 52 7.258 -4.055 2.409 1.00 0.00 C ATOM 801 CG GLN A 52 7.083 -5.502 2.812 1.00 0.00 C ATOM 802 CD GLN A 52 8.306 -6.046 3.513 1.00 0.00 C ATOM 803 OE1 GLN A 52 8.429 -5.951 4.734 1.00 0.00 O ATOM 804 NE2 GLN A 52 9.216 -6.611 2.764 1.00 0.00 N ATOM 0 H GLN A 52 6.766 -1.508 1.978 1.00 0.00 H new ATOM 0 HA GLN A 52 5.914 -4.077 0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.164 -3.971 1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.417 -3.462 3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.218 -5.593 3.469 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.876 -6.103 1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.080 -6.672 1.755 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.062 -6.991 3.189 1.00 0.00 H new ATOM 813 N ILE A 53 3.770 -3.881 1.875 1.00 0.00 N ATOM 814 CA ILE A 53 2.477 -3.825 2.512 1.00 0.00 C ATOM 815 C ILE A 53 2.154 -5.166 3.159 1.00 0.00 C ATOM 816 O ILE A 53 2.237 -6.210 2.533 1.00 0.00 O ATOM 817 CB ILE A 53 1.332 -3.338 1.521 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.437 -1.839 1.206 1.00 0.00 C ATOM 819 CG2 ILE A 53 -0.060 -3.606 2.052 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.644 -1.392 0.434 1.00 0.00 C ATOM 0 H ILE A 53 3.769 -4.326 0.957 1.00 0.00 H new ATOM 0 HA ILE A 53 2.521 -3.072 3.299 1.00 0.00 H new ATOM 0 HB ILE A 53 1.487 -3.921 0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.549 -1.547 0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.415 -1.292 2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.798 -3.252 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.190 -4.677 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.196 -3.082 2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.597 -0.314 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.546 -1.639 0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.666 -1.898 -0.531 1.00 0.00 H new ATOM 832 N THR A 54 1.849 -5.123 4.411 1.00 0.00 N ATOM 833 CA THR A 54 1.539 -6.292 5.180 1.00 0.00 C ATOM 834 C THR A 54 0.087 -6.201 5.622 1.00 0.00 C ATOM 835 O THR A 54 -0.361 -5.153 5.981 1.00 0.00 O ATOM 836 CB THR A 54 2.457 -6.332 6.415 1.00 0.00 C ATOM 837 OG1 THR A 54 3.824 -6.269 5.991 1.00 0.00 O ATOM 838 CG2 THR A 54 2.228 -7.579 7.260 1.00 0.00 C ATOM 0 H THR A 54 1.806 -4.256 4.946 1.00 0.00 H new ATOM 0 HA THR A 54 1.690 -7.195 4.589 1.00 0.00 H new ATOM 0 HB THR A 54 2.218 -5.471 7.040 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.405 -6.591 6.712 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.898 -7.564 8.120 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.194 -7.600 7.605 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.428 -8.467 6.660 1.00 0.00 H new ATOM 846 N ASN A 55 -0.649 -7.269 5.545 1.00 0.00 N ATOM 847 CA ASN A 55 -2.033 -7.258 5.996 1.00 0.00 C ATOM 848 C ASN A 55 -2.062 -7.074 7.512 1.00 0.00 C ATOM 849 O ASN A 55 -1.266 -7.669 8.206 1.00 0.00 O ATOM 850 CB ASN A 55 -2.714 -8.557 5.632 1.00 0.00 C ATOM 851 CG ASN A 55 -4.194 -8.486 5.750 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.737 -8.635 6.817 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.855 -8.325 4.674 1.00 0.00 N ATOM 0 H ASN A 55 -0.327 -8.164 5.177 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.562 -6.438 5.511 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.448 -8.827 4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.340 -9.351 6.279 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.875 -8.319 4.698 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.365 -8.202 3.788 1.00 0.00 H new ATOM 860 N ALA A 56 -2.965 -6.260 8.022 1.00 0.00 N ATOM 861 CA ALA A 56 -3.025 -5.996 9.465 1.00 0.00 C ATOM 862 C ALA A 56 -3.748 -7.109 10.198 1.00 0.00 C ATOM 863 O ALA A 56 -3.572 -7.308 11.403 1.00 0.00 O ATOM 864 CB ALA A 56 -3.729 -4.677 9.726 1.00 0.00 C ATOM 0 H ALA A 56 -3.668 -5.768 7.471 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.002 -5.945 9.837 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.768 -4.491 10.799 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.183 -3.870 9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.743 -4.721 9.329 1.00 0.00 H new ATOM 870 N GLN A 57 -4.528 -7.839 9.467 1.00 0.00 N ATOM 871 CA GLN A 57 -5.376 -8.858 10.024 1.00 0.00 C ATOM 872 C GLN A 57 -4.750 -10.240 9.883 1.00 0.00 C ATOM 873 O GLN A 57 -4.696 -11.002 10.843 1.00 0.00 O ATOM 874 CB GLN A 57 -6.730 -8.781 9.324 1.00 0.00 C ATOM 875 CG GLN A 57 -7.365 -7.408 9.486 1.00 0.00 C ATOM 876 CD GLN A 57 -8.589 -7.178 8.634 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.717 -7.718 7.537 1.00 0.00 O ATOM 878 NE2 GLN A 57 -9.481 -6.360 9.111 1.00 0.00 N ATOM 0 H GLN A 57 -4.599 -7.748 8.454 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.505 -8.690 11.093 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.606 -9.003 8.264 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.396 -9.541 9.733 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.635 -7.268 10.533 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.622 -6.648 9.245 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.342 -5.930 10.025 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.320 -6.149 8.571 1.00 0.00 H new ATOM 887 N THR A 58 -4.260 -10.556 8.705 1.00 0.00 N ATOM 888 CA THR A 58 -3.701 -11.865 8.461 1.00 0.00 C ATOM 889 C THR A 58 -2.184 -11.830 8.660 1.00 0.00 C ATOM 890 O THR A 58 -1.552 -12.845 8.964 1.00 0.00 O ATOM 891 CB THR A 58 -4.033 -12.326 7.020 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.335 -11.499 6.083 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.523 -12.160 6.748 1.00 0.00 C ATOM 0 H THR A 58 -4.238 -9.926 7.903 1.00 0.00 H new ATOM 0 HA THR A 58 -4.137 -12.572 9.167 1.00 0.00 H new ATOM 0 HB THR A 58 -3.740 -13.371 6.917 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.662 -11.682 5.178 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.746 -12.487 5.732 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.092 -12.763 7.456 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.799 -11.111 6.861 1.00 0.00 H new ATOM 901 N LYS A 59 -1.628 -10.623 8.538 1.00 0.00 N ATOM 902 CA LYS A 59 -0.192 -10.341 8.594 1.00 0.00 C ATOM 903 C LYS A 59 0.534 -10.885 7.367 1.00 0.00 C ATOM 904 O LYS A 59 1.760 -11.055 7.367 1.00 0.00 O ATOM 905 CB LYS A 59 0.461 -10.769 9.928 1.00 0.00 C ATOM 906 CG LYS A 59 -0.216 -10.173 11.177 1.00 0.00 C ATOM 907 CD LYS A 59 -0.393 -8.646 11.101 1.00 0.00 C ATOM 908 CE LYS A 59 0.923 -7.884 11.011 1.00 0.00 C ATOM 909 NZ LYS A 59 1.705 -7.965 12.257 1.00 0.00 N ATOM 0 H LYS A 59 -2.187 -9.783 8.392 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.084 -9.257 8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.438 -11.856 9.999 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.510 -10.472 9.919 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.192 -10.639 11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.378 -10.420 12.057 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.005 -8.402 10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.940 -8.308 11.981 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.515 -8.283 10.187 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.719 -6.838 10.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.591 -7.431 12.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.153 -7.561 13.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.924 -8.960 12.465 1.00 0.00 H new ATOM 923 N GLU A 60 -0.246 -11.089 6.303 1.00 0.00 N ATOM 924 CA GLU A 60 0.251 -11.523 5.006 1.00 0.00 C ATOM 925 C GLU A 60 1.091 -10.404 4.415 1.00 0.00 C ATOM 926 O GLU A 60 0.588 -9.288 4.219 1.00 0.00 O ATOM 927 CB GLU A 60 -0.938 -11.745 4.076 1.00 0.00 C ATOM 928 CG GLU A 60 -0.616 -12.369 2.730 1.00 0.00 C ATOM 929 CD GLU A 60 -0.247 -13.809 2.851 1.00 0.00 C ATOM 930 OE1 GLU A 60 0.925 -14.116 3.105 1.00 0.00 O ATOM 931 OE2 GLU A 60 -1.138 -14.663 2.717 1.00 0.00 O ATOM 0 H GLU A 60 -1.257 -10.954 6.324 1.00 0.00 H new ATOM 0 HA GLU A 60 0.834 -12.437 5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.661 -12.381 4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.424 -10.785 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.478 -12.271 2.070 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.205 -11.823 2.265 1.00 0.00 H new ATOM 938 N GLU A 61 2.334 -10.663 4.164 1.00 0.00 N ATOM 939 CA GLU A 61 3.179 -9.691 3.587 1.00 0.00 C ATOM 940 C GLU A 61 3.150 -9.777 2.103 1.00 0.00 C ATOM 941 O GLU A 61 3.446 -10.819 1.511 1.00 0.00 O ATOM 942 CB GLU A 61 4.565 -9.834 4.107 1.00 0.00 C ATOM 943 CG GLU A 61 4.643 -9.435 5.536 1.00 0.00 C ATOM 944 CD GLU A 61 5.973 -9.644 6.158 1.00 0.00 C ATOM 945 OE1 GLU A 61 6.390 -10.808 6.309 1.00 0.00 O ATOM 946 OE2 GLU A 61 6.605 -8.661 6.578 1.00 0.00 O ATOM 0 H GLU A 61 2.784 -11.558 4.357 1.00 0.00 H new ATOM 0 HA GLU A 61 2.812 -8.704 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.894 -10.867 3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.244 -9.218 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.377 -8.381 5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.899 -9.999 6.099 1.00 0.00 H new ATOM 953 N TYR A 62 2.771 -8.711 1.517 1.00 0.00 N ATOM 954 CA TYR A 62 2.705 -8.607 0.097 1.00 0.00 C ATOM 955 C TYR A 62 4.020 -8.029 -0.381 1.00 0.00 C ATOM 956 O TYR A 62 4.278 -6.830 -0.238 1.00 0.00 O ATOM 957 CB TYR A 62 1.535 -7.720 -0.324 1.00 0.00 C ATOM 958 CG TYR A 62 0.194 -8.152 0.244 1.00 0.00 C ATOM 959 CD1 TYR A 62 -0.394 -9.353 -0.130 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.485 -7.347 1.139 1.00 0.00 C ATOM 961 CE1 TYR A 62 -1.620 -9.733 0.377 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.708 -7.719 1.655 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.272 -8.911 1.273 1.00 0.00 C ATOM 964 OH TYR A 62 -3.509 -9.275 1.771 1.00 0.00 O ATOM 0 H TYR A 62 2.490 -7.864 2.011 1.00 0.00 H new ATOM 0 HA TYR A 62 2.541 -9.588 -0.349 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.738 -6.696 -0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.471 -7.713 -1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.116 -10.000 -0.829 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.048 -6.406 1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.067 -10.669 0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.220 -7.076 2.356 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.573 -10.252 1.805 1.00 0.00 H new ATOM 974 N THR A 63 4.869 -8.885 -0.863 1.00 0.00 N ATOM 975 CA THR A 63 6.194 -8.505 -1.268 1.00 0.00 C ATOM 976 C THR A 63 6.325 -8.335 -2.790 1.00 0.00 C ATOM 977 O THR A 63 7.232 -7.644 -3.272 1.00 0.00 O ATOM 978 CB THR A 63 7.190 -9.548 -0.743 1.00 0.00 C ATOM 979 OG1 THR A 63 6.694 -10.866 -1.062 1.00 0.00 O ATOM 980 CG2 THR A 63 7.343 -9.425 0.769 1.00 0.00 C ATOM 0 H THR A 63 4.663 -9.876 -0.989 1.00 0.00 H new ATOM 0 HA THR A 63 6.415 -7.528 -0.839 1.00 0.00 H new ATOM 0 HB THR A 63 8.161 -9.382 -1.210 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.324 -11.541 -0.733 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.053 -10.172 1.125 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.709 -8.429 1.018 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.377 -9.586 1.247 1.00 0.00 H new ATOM 988 N ASP A 64 5.438 -8.962 -3.542 1.00 0.00 N ATOM 989 CA ASP A 64 5.470 -8.851 -5.000 1.00 0.00 C ATOM 990 C ASP A 64 4.442 -7.850 -5.409 1.00 0.00 C ATOM 991 O ASP A 64 3.331 -7.895 -4.903 1.00 0.00 O ATOM 992 CB ASP A 64 5.096 -10.167 -5.677 1.00 0.00 C ATOM 993 CG ASP A 64 5.574 -10.221 -7.101 1.00 0.00 C ATOM 994 OD1 ASP A 64 5.117 -9.419 -7.908 1.00 0.00 O ATOM 995 OD2 ASP A 64 6.409 -11.087 -7.441 1.00 0.00 O ATOM 0 H ASP A 64 4.690 -9.551 -3.176 1.00 0.00 H new ATOM 0 HA ASP A 64 6.481 -8.569 -5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.526 -10.998 -5.118 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.014 -10.293 -5.652 1.00 0.00 H new ATOM 1000 N ASP A 65 4.767 -6.985 -6.355 1.00 0.00 N ATOM 1001 CA ASP A 65 3.823 -5.962 -6.832 1.00 0.00 C ATOM 1002 C ASP A 65 2.547 -6.574 -7.422 1.00 0.00 C ATOM 1003 O ASP A 65 1.520 -5.921 -7.496 1.00 0.00 O ATOM 1004 CB ASP A 65 4.451 -5.001 -7.858 1.00 0.00 C ATOM 1005 CG ASP A 65 5.489 -4.034 -7.317 1.00 0.00 C ATOM 1006 OD1 ASP A 65 6.507 -4.462 -6.718 1.00 0.00 O ATOM 1007 OD2 ASP A 65 5.304 -2.796 -7.468 1.00 0.00 O ATOM 0 H ASP A 65 5.677 -6.963 -6.815 1.00 0.00 H new ATOM 0 HA ASP A 65 3.558 -5.388 -5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.913 -5.595 -8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.651 -4.423 -8.321 1.00 0.00 H new ATOM 1012 N ASN A 66 2.605 -7.831 -7.793 1.00 0.00 N ATOM 1013 CA ASN A 66 1.455 -8.523 -8.390 1.00 0.00 C ATOM 1014 C ASN A 66 0.442 -8.942 -7.341 1.00 0.00 C ATOM 1015 O ASN A 66 -0.658 -9.394 -7.681 1.00 0.00 O ATOM 1016 CB ASN A 66 1.902 -9.735 -9.194 1.00 0.00 C ATOM 1017 CG ASN A 66 2.712 -9.359 -10.407 1.00 0.00 C ATOM 1018 OD1 ASN A 66 2.189 -9.212 -11.511 1.00 0.00 O ATOM 1019 ND2 ASN A 66 3.973 -9.163 -10.213 1.00 0.00 N ATOM 0 H ASN A 66 3.438 -8.412 -7.696 1.00 0.00 H new ATOM 0 HA ASN A 66 0.972 -7.813 -9.062 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.494 -10.392 -8.556 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.025 -10.301 -9.508 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.570 -8.877 -10.989 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.373 -9.294 -9.284 1.00 0.00 H new ATOM 1026 N ALA A 67 0.809 -8.797 -6.071 1.00 0.00 N ATOM 1027 CA ALA A 67 -0.083 -9.107 -4.963 1.00 0.00 C ATOM 1028 C ALA A 67 -1.262 -8.129 -4.973 1.00 0.00 C ATOM 1029 O ALA A 67 -1.138 -7.054 -5.505 1.00 0.00 O ATOM 1030 CB ALA A 67 0.678 -9.052 -3.654 1.00 0.00 C ATOM 0 H ALA A 67 1.729 -8.463 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.476 -10.118 -5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.003 -9.285 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.490 -9.779 -3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.089 -8.052 -3.514 1.00 0.00 H new ATOM 1036 N LEU A 68 -2.403 -8.520 -4.472 1.00 0.00 N ATOM 1037 CA LEU A 68 -3.588 -7.662 -4.531 1.00 0.00 C ATOM 1038 C LEU A 68 -4.129 -7.307 -3.134 1.00 0.00 C ATOM 1039 O LEU A 68 -4.123 -8.154 -2.229 1.00 0.00 O ATOM 1040 CB LEU A 68 -4.660 -8.310 -5.414 1.00 0.00 C ATOM 1041 CG LEU A 68 -5.361 -9.537 -4.836 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -6.614 -9.131 -4.110 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -5.637 -10.575 -5.900 1.00 0.00 C ATOM 0 H LEU A 68 -2.552 -9.421 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.294 -6.715 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.417 -7.559 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.199 -8.593 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.691 -10.003 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.102 -10.017 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.359 -8.452 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.290 -8.630 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.137 -11.433 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.277 -10.145 -6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.696 -10.896 -6.348 1.00 0.00 H new ATOM 1055 N ILE A 69 -4.533 -6.067 -2.927 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.176 -5.700 -1.671 1.00 0.00 C ATOM 1057 C ILE A 69 -6.623 -5.232 -1.920 1.00 0.00 C ATOM 1058 O ILE A 69 -6.853 -4.253 -2.622 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.415 -4.598 -0.832 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.000 -5.035 -0.439 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.206 -4.211 0.423 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -1.963 -4.897 -1.528 1.00 0.00 C ATOM 0 H ILE A 69 -4.432 -5.305 -3.598 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.156 -6.611 -1.073 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.327 -3.727 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.681 -4.448 0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.033 -6.077 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.657 -3.451 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.179 -3.815 0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.345 -5.091 1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.995 -5.231 -1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.251 -5.507 -2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.893 -3.853 -1.834 1.00 0.00 H new ATOM 1074 N PRO A 70 -7.605 -5.979 -1.404 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.016 -5.594 -1.466 1.00 0.00 C ATOM 1076 C PRO A 70 -9.391 -4.524 -0.435 1.00 0.00 C ATOM 1077 O PRO A 70 -8.812 -4.457 0.652 1.00 0.00 O ATOM 1078 CB PRO A 70 -9.755 -6.897 -1.185 1.00 0.00 C ATOM 1079 CG PRO A 70 -8.792 -7.733 -0.406 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.413 -7.279 -0.763 1.00 0.00 C ATOM 0 HA PRO A 70 -9.266 -5.145 -2.427 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.669 -6.717 -0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.047 -7.392 -2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.967 -7.623 0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.922 -8.789 -0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.782 -7.195 0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.926 -7.984 -1.436 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.400 -3.716 -0.773 1.00 0.00 N ATOM 1089 CA LYS A 71 -10.863 -2.600 0.075 1.00 0.00 C ATOM 1090 C LYS A 71 -11.501 -3.057 1.371 1.00 0.00 C ATOM 1091 O LYS A 71 -11.766 -2.279 2.268 1.00 0.00 O ATOM 1092 CB LYS A 71 -11.794 -1.706 -0.732 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.027 -2.387 -1.327 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.174 -2.500 -0.328 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.453 -2.996 -0.979 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.009 -2.032 -1.967 1.00 0.00 N ATOM 0 H LYS A 71 -10.924 -3.813 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.987 -2.027 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.128 -0.890 -0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.222 -1.259 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.363 -1.825 -2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.755 -3.383 -1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.889 -3.180 0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.354 -1.526 0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.257 -3.946 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.198 -3.188 -0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.980 -2.310 -2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.017 -1.078 -1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.419 -2.033 -2.823 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.743 -4.309 1.447 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.346 -4.885 2.624 1.00 0.00 C ATOM 1112 C ASN A 72 -11.288 -5.253 3.649 1.00 0.00 C ATOM 1113 O ASN A 72 -11.607 -5.667 4.761 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.232 -6.092 2.265 1.00 0.00 C ATOM 1115 CG ASN A 72 -12.499 -7.234 1.558 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -11.320 -7.501 1.802 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -13.180 -7.877 0.644 1.00 0.00 N ATOM 0 H ASN A 72 -11.536 -4.978 0.706 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.994 -4.132 3.073 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.684 -6.479 3.179 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.047 -5.751 1.626 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.737 -8.624 0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.154 -7.631 0.467 1.00 0.00 H new ATOM 1124 N SER A 73 -10.041 -5.089 3.276 1.00 0.00 N ATOM 1125 CA SER A 73 -8.941 -5.430 4.117 1.00 0.00 C ATOM 1126 C SER A 73 -8.228 -4.165 4.607 1.00 0.00 C ATOM 1127 O SER A 73 -8.140 -3.170 3.891 1.00 0.00 O ATOM 1128 CB SER A 73 -7.970 -6.312 3.329 1.00 0.00 C ATOM 1129 OG SER A 73 -8.626 -7.476 2.825 1.00 0.00 O ATOM 0 H SER A 73 -9.769 -4.710 2.369 1.00 0.00 H new ATOM 0 HA SER A 73 -9.306 -5.972 4.989 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.546 -5.743 2.502 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.140 -6.608 3.971 1.00 0.00 H new ATOM 0 HG SER A 73 -9.553 -7.256 2.596 1.00 0.00 H new ATOM 1135 N SER A 74 -7.771 -4.193 5.832 1.00 0.00 N ATOM 1136 CA SER A 74 -6.977 -3.120 6.362 1.00 0.00 C ATOM 1137 C SER A 74 -5.525 -3.599 6.372 1.00 0.00 C ATOM 1138 O SER A 74 -5.236 -4.724 6.827 1.00 0.00 O ATOM 1139 CB SER A 74 -7.469 -2.759 7.762 1.00 0.00 C ATOM 1140 OG SER A 74 -8.870 -2.476 7.725 1.00 0.00 O ATOM 0 H SER A 74 -7.939 -4.957 6.486 1.00 0.00 H new ATOM 0 HA SER A 74 -7.059 -2.218 5.755 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.273 -3.582 8.450 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.924 -1.893 8.137 1.00 0.00 H new ATOM 0 HG SER A 74 -9.181 -2.247 8.626 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.635 -2.815 5.824 1.00 0.00 N ATOM 1147 CA VAL A 75 -3.261 -3.233 5.688 1.00 0.00 C ATOM 1148 C VAL A 75 -2.256 -2.247 6.335 1.00 0.00 C ATOM 1149 O VAL A 75 -2.567 -1.079 6.593 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.889 -3.529 4.189 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.679 -4.718 3.653 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -3.160 -2.328 3.295 1.00 0.00 C ATOM 0 H VAL A 75 -4.835 -1.882 5.464 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.176 -4.166 6.246 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.823 -3.755 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.402 -4.900 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.455 -5.602 4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.746 -4.502 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.890 -2.571 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.218 -2.071 3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.566 -1.480 3.635 1.00 0.00 H new ATOM 1162 N ILE A 76 -1.083 -2.758 6.609 1.00 0.00 N ATOM 1163 CA ILE A 76 0.031 -2.039 7.197 1.00 0.00 C ATOM 1164 C ILE A 76 0.977 -1.711 6.063 1.00 0.00 C ATOM 1165 O ILE A 76 1.262 -2.572 5.225 1.00 0.00 O ATOM 1166 CB ILE A 76 0.826 -2.948 8.194 1.00 0.00 C ATOM 1167 CG1 ILE A 76 -0.092 -3.601 9.240 1.00 0.00 C ATOM 1168 CG2 ILE A 76 1.956 -2.172 8.882 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.812 -2.629 10.136 1.00 0.00 C ATOM 0 H ILE A 76 -0.862 -3.736 6.421 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.342 -1.162 7.726 1.00 0.00 H new ATOM 0 HB ILE A 76 1.270 -3.747 7.600 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.830 -4.214 8.724 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.504 -4.272 9.859 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.487 -2.833 9.567 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.650 -1.796 8.130 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.536 -1.335 9.439 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.436 -3.178 10.841 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.084 -2.031 10.684 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.439 -1.973 9.532 1.00 0.00 H new ATOM 1181 N VAL A 77 1.449 -0.516 6.014 1.00 0.00 N ATOM 1182 CA VAL A 77 2.334 -0.117 4.963 1.00 0.00 C ATOM 1183 C VAL A 77 3.712 0.200 5.540 1.00 0.00 C ATOM 1184 O VAL A 77 3.873 1.139 6.325 1.00 0.00 O ATOM 1185 CB VAL A 77 1.772 1.097 4.196 1.00 0.00 C ATOM 1186 CG1 VAL A 77 2.608 1.396 2.989 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.333 0.855 3.790 1.00 0.00 C ATOM 0 H VAL A 77 1.238 0.214 6.694 1.00 0.00 H new ATOM 0 HA VAL A 77 2.427 -0.941 4.255 1.00 0.00 H new ATOM 0 HB VAL A 77 1.804 1.960 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.193 2.256 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.629 1.618 3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.611 0.531 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.044 1.724 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.279 -0.023 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.273 0.690 4.681 1.00 0.00 H new ATOM 1197 N ARG A 78 4.677 -0.594 5.168 1.00 0.00 N ATOM 1198 CA ARG A 78 6.031 -0.476 5.651 1.00 0.00 C ATOM 1199 C ARG A 78 6.958 -0.069 4.494 1.00 0.00 C ATOM 1200 O ARG A 78 6.885 -0.635 3.413 1.00 0.00 O ATOM 1201 CB ARG A 78 6.448 -1.848 6.205 1.00 0.00 C ATOM 1202 CG ARG A 78 7.857 -1.939 6.763 1.00 0.00 C ATOM 1203 CD ARG A 78 8.210 -3.386 7.106 1.00 0.00 C ATOM 1204 NE ARG A 78 7.323 -3.968 8.130 1.00 0.00 N ATOM 1205 CZ ARG A 78 6.831 -5.229 8.114 1.00 0.00 C ATOM 1206 NH1 ARG A 78 7.057 -6.041 7.071 1.00 0.00 N ATOM 1207 NH2 ARG A 78 6.106 -5.663 9.139 1.00 0.00 N ATOM 0 H ARG A 78 4.545 -1.359 4.506 1.00 0.00 H new ATOM 0 HA ARG A 78 6.100 0.284 6.429 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.748 -2.128 6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.345 -2.586 5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.568 -1.549 6.035 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.941 -1.318 7.655 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.157 -3.991 6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.240 -3.429 7.459 1.00 0.00 H new ATOM 0 HE ARG A 78 7.059 -3.372 8.914 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.605 -5.711 6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.680 -6.989 7.072 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.923 -5.047 9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.732 -6.612 9.134 1.00 0.00 H new ATOM 1221 N ARG A 79 7.793 0.910 4.708 1.00 0.00 N ATOM 1222 CA ARG A 79 8.760 1.318 3.703 1.00 0.00 C ATOM 1223 C ARG A 79 10.005 0.457 3.836 1.00 0.00 C ATOM 1224 O ARG A 79 10.617 0.414 4.900 1.00 0.00 O ATOM 1225 CB ARG A 79 9.123 2.800 3.880 1.00 0.00 C ATOM 1226 CG ARG A 79 10.271 3.277 2.995 1.00 0.00 C ATOM 1227 CD ARG A 79 10.604 4.733 3.262 1.00 0.00 C ATOM 1228 NE ARG A 79 11.817 5.181 2.558 1.00 0.00 N ATOM 1229 CZ ARG A 79 12.478 6.314 2.823 1.00 0.00 C ATOM 1230 NH1 ARG A 79 11.980 7.186 3.707 1.00 0.00 N ATOM 1231 NH2 ARG A 79 13.620 6.588 2.191 1.00 0.00 N ATOM 0 H ARG A 79 7.830 1.449 5.573 1.00 0.00 H new ATOM 0 HA ARG A 79 8.327 1.188 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.242 3.405 3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.387 2.975 4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.152 2.661 3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.002 3.150 1.946 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.762 5.355 2.957 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.737 4.880 4.334 1.00 0.00 H new ATOM 0 HE ARG A 79 12.180 4.585 1.814 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.098 6.987 4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.483 8.050 3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.992 5.933 1.503 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.121 7.453 2.395 1.00 0.00 H new ATOM 1245 N ILE A 80 10.375 -0.235 2.788 1.00 0.00 N ATOM 1246 CA ILE A 80 11.550 -1.069 2.838 1.00 0.00 C ATOM 1247 C ILE A 80 12.520 -0.663 1.741 1.00 0.00 C ATOM 1248 O ILE A 80 12.106 -0.190 0.712 1.00 0.00 O ATOM 1249 CB ILE A 80 11.215 -2.612 2.804 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.515 -3.076 1.525 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.403 -3.033 4.006 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.466 -3.402 0.403 1.00 0.00 C ATOM 0 H ILE A 80 9.883 -0.238 1.894 1.00 0.00 H new ATOM 0 HA ILE A 80 12.032 -0.906 3.802 1.00 0.00 H new ATOM 0 HB ILE A 80 12.188 -3.103 2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.914 -3.957 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.828 -2.297 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.192 -4.101 3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.965 -2.824 4.916 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.465 -2.479 4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.900 -3.724 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.050 -2.516 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.137 -4.202 0.716 1.00 0.00 H new ATOM 1264 N PRO A 81 13.807 -0.791 1.952 1.00 0.00 N ATOM 1265 CA PRO A 81 14.796 -0.430 0.941 1.00 0.00 C ATOM 1266 C PRO A 81 14.758 -1.397 -0.241 1.00 0.00 C ATOM 1267 O PRO A 81 14.614 -2.607 -0.057 1.00 0.00 O ATOM 1268 CB PRO A 81 16.118 -0.575 1.696 1.00 0.00 C ATOM 1269 CG PRO A 81 15.823 -1.584 2.745 1.00 0.00 C ATOM 1270 CD PRO A 81 14.428 -1.299 3.180 1.00 0.00 C ATOM 0 HA PRO A 81 14.631 0.562 0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.920 -0.907 1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.435 0.373 2.131 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.914 -2.597 2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.520 -1.501 3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.927 -2.195 3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.396 -0.564 3.984 1.00 0.00 H new