USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 802 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 102 TYR OH : rot 32:sc= -0.272 USER MOD Set 1.2: A 106 LYS NZ :NH3+ -134:sc= -0.0372 (180deg=-0.134) USER MOD Set 2.1: A 98 ASN : amide:sc= -0.09 K(o=-0.0046,f=-2.1!) USER MOD Set 2.2: A 101 LYS NZ :NH3+ -141:sc= 0.0853 (180deg=0) USER MOD Set 3.1: A 67 ASN :FLIP amide:sc= 0 F(o=-1.6,f=-0.46) USER MOD Set 3.2: A 70 THR OG1 : rot -30:sc= -0.459 USER MOD Set 4.1: A 51 MET CE :methyl 178:sc= -0.0997 (180deg=-0.143) USER MOD Set 4.2: A 59 LYS NZ :NH3+ 136:sc= 0.0741 (180deg=0.00979) USER MOD Set 4.3: A 65 TYR OH : rot 14:sc= -2.64! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -112:sc= -1.48! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -132:sc= -2.31! (180deg=-6.19!) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.906 USER MOD Single : A 22 MET CE :methyl -140:sc= -0.201 (180deg=-1.18) USER MOD Single : A 24 THR OG1 : rot -1:sc= 1.15 USER MOD Single : A 25 HIS : no HD1:sc= -2.62! C(o=-2.6!,f=-4.7!) USER MOD Single : A 36 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.67) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0192) USER MOD Single : A 45 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.288) USER MOD Single : A 48 LYS NZ :NH3+ 135:sc= -0.173 (180deg=-1.26) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 144:sc= 1.06 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 93:sc= 0.825 USER MOD Single : A 64 GLN : amide:sc=-0.00531 K(o=-0.0053,f=-2.1!) USER MOD Single : A 81 ASN : amide:sc= -0.183 K(o=-0.18,f=-3.1!) USER MOD Single : A 82 CYS SG : rot 180:sc= -1.69! USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -5.6! C(o=-5.6!,f=-6.1!) USER MOD Single : A 90 SER OG : rot 180:sc= 0.137 USER MOD Single : A 97 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=-0.019) USER MOD Single : A 99 MET CE :methyl -154:sc= -0.432 (180deg=-0.902) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 75:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 89 N LYS A 10 -2.641 18.560 9.834 1.00 0.00 N ATOM 90 CA LYS A 10 -4.019 18.255 9.470 1.00 0.00 C ATOM 91 C LYS A 10 -4.072 17.381 8.221 1.00 0.00 C ATOM 92 O LYS A 10 -4.638 16.288 8.241 1.00 0.00 O ATOM 93 CB LYS A 10 -4.803 19.548 9.234 1.00 0.00 C ATOM 94 CG LYS A 10 -6.239 19.317 8.794 1.00 0.00 C ATOM 95 CD LYS A 10 -6.738 20.444 7.906 1.00 0.00 C ATOM 96 CE LYS A 10 -8.254 20.431 7.788 1.00 0.00 C ATOM 97 NZ LYS A 10 -8.750 21.508 6.886 1.00 0.00 N ATOM 0 HA LYS A 10 -4.473 17.706 10.295 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.803 20.136 10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.290 20.141 8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.308 18.371 8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.880 19.233 9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.412 21.401 8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.294 20.351 6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.580 19.462 7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.696 20.553 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.788 21.465 6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.461 22.434 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.348 21.377 5.936 1.00 0.00 H new ATOM 111 N ASP A 11 -3.478 17.869 7.138 1.00 0.00 N ATOM 112 CA ASP A 11 -3.455 17.130 5.880 1.00 0.00 C ATOM 113 C ASP A 11 -2.918 15.718 6.089 1.00 0.00 C ATOM 114 O ASP A 11 -3.478 14.747 5.578 1.00 0.00 O ATOM 115 CB ASP A 11 -2.601 17.867 4.847 1.00 0.00 C ATOM 116 CG ASP A 11 -1.231 18.233 5.384 1.00 0.00 C ATOM 117 OD1 ASP A 11 -0.327 17.373 5.342 1.00 0.00 O ATOM 118 OD2 ASP A 11 -1.063 19.381 5.845 1.00 0.00 O ATOM 0 H ASP A 11 -3.006 18.773 7.105 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.478 17.059 5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.486 17.241 3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.119 18.773 4.532 1.00 0.00 H new ATOM 123 N LEU A 12 -1.829 15.610 6.843 1.00 0.00 N ATOM 124 CA LEU A 12 -1.215 14.316 7.119 1.00 0.00 C ATOM 125 C LEU A 12 -2.158 13.426 7.921 1.00 0.00 C ATOM 126 O LEU A 12 -2.416 12.282 7.547 1.00 0.00 O ATOM 127 CB LEU A 12 0.098 14.505 7.881 1.00 0.00 C ATOM 128 CG LEU A 12 1.334 14.792 7.028 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.564 14.955 7.908 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.549 13.681 6.010 1.00 0.00 C ATOM 0 H LEU A 12 -1.353 16.403 7.274 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.008 13.829 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.030 15.325 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.287 13.606 8.468 1.00 0.00 H new ATOM 0 HG LEU A 12 1.171 15.726 6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.434 15.159 7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.410 15.785 8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.730 14.039 8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.433 13.902 5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.690 12.733 6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.678 13.611 5.358 1.00 0.00 H new ATOM 142 N ALA A 13 -2.672 13.959 9.025 1.00 0.00 N ATOM 143 CA ALA A 13 -3.590 13.214 9.877 1.00 0.00 C ATOM 144 C ALA A 13 -4.548 12.369 9.045 1.00 0.00 C ATOM 145 O ALA A 13 -4.712 11.173 9.293 1.00 0.00 O ATOM 146 CB ALA A 13 -4.366 14.166 10.775 1.00 0.00 C ATOM 0 H ALA A 13 -2.468 14.904 9.350 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.002 12.541 10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.048 13.596 11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.670 14.723 11.403 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.937 14.862 10.160 1.00 0.00 H new ATOM 152 N LEU A 14 -5.179 12.996 8.059 1.00 0.00 N ATOM 153 CA LEU A 14 -6.123 12.301 7.190 1.00 0.00 C ATOM 154 C LEU A 14 -5.471 11.084 6.543 1.00 0.00 C ATOM 155 O LEU A 14 -5.991 9.971 6.627 1.00 0.00 O ATOM 156 CB LEU A 14 -6.645 13.250 6.110 1.00 0.00 C ATOM 157 CG LEU A 14 -7.725 14.238 6.549 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.720 15.468 5.655 1.00 0.00 C ATOM 159 CD2 LEU A 14 -9.094 13.573 6.536 1.00 0.00 C ATOM 0 H LEU A 14 -5.054 13.985 7.841 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.959 11.960 7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.802 13.816 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.040 12.652 5.289 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.506 14.555 7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.496 16.160 5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.748 15.958 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.913 15.170 4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.851 14.292 6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.321 13.226 5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.093 12.724 7.220 1.00 0.00 H new ATOM 171 N CYS A 15 -4.330 11.302 5.899 1.00 0.00 N ATOM 172 CA CYS A 15 -3.606 10.222 5.238 1.00 0.00 C ATOM 173 C CYS A 15 -3.597 8.965 6.102 1.00 0.00 C ATOM 174 O CYS A 15 -3.746 7.852 5.598 1.00 0.00 O ATOM 175 CB CYS A 15 -2.172 10.655 4.930 1.00 0.00 C ATOM 176 SG CYS A 15 -2.046 11.969 3.695 1.00 0.00 S ATOM 0 H CYS A 15 -3.886 12.217 5.820 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.117 9.994 4.303 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.700 10.992 5.853 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.609 9.789 4.582 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.492 11.500 2.617 1.00 0.00 H new ATOM 182 N SER A 16 -3.419 9.151 7.406 1.00 0.00 N ATOM 183 CA SER A 16 -3.384 8.032 8.340 1.00 0.00 C ATOM 184 C SER A 16 -4.694 7.250 8.300 1.00 0.00 C ATOM 185 O SER A 16 -4.699 6.022 8.379 1.00 0.00 O ATOM 186 CB SER A 16 -3.120 8.534 9.761 1.00 0.00 C ATOM 187 OG SER A 16 -2.968 7.453 10.664 1.00 0.00 O ATOM 0 H SER A 16 -3.297 10.066 7.840 1.00 0.00 H new ATOM 0 HA SER A 16 -2.574 7.367 8.041 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.221 9.150 9.771 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.945 9.169 10.085 1.00 0.00 H new ATOM 0 HG SER A 16 -2.799 7.800 11.565 1.00 0.00 H new ATOM 193 N MET A 17 -5.803 7.972 8.177 1.00 0.00 N ATOM 194 CA MET A 17 -7.119 7.347 8.125 1.00 0.00 C ATOM 195 C MET A 17 -7.248 6.452 6.896 1.00 0.00 C ATOM 196 O MET A 17 -7.364 5.232 7.015 1.00 0.00 O ATOM 197 CB MET A 17 -8.215 8.415 8.109 1.00 0.00 C ATOM 198 CG MET A 17 -8.043 9.477 9.184 1.00 0.00 C ATOM 199 SD MET A 17 -9.609 10.215 9.686 1.00 0.00 S ATOM 200 CE MET A 17 -10.239 10.781 8.108 1.00 0.00 C ATOM 0 H MET A 17 -5.816 8.990 8.112 1.00 0.00 H new ATOM 0 HA MET A 17 -7.236 6.730 9.016 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.227 8.897 7.132 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.184 7.932 8.238 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.559 9.033 10.054 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.379 10.259 8.815 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.580 11.812 8.201 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.448 10.726 7.360 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.073 10.150 7.802 1.00 0.00 H new ATOM 210 N ILE A 18 -7.227 7.066 5.718 1.00 0.00 N ATOM 211 CA ILE A 18 -7.341 6.324 4.469 1.00 0.00 C ATOM 212 C ILE A 18 -6.467 5.074 4.490 1.00 0.00 C ATOM 213 O ILE A 18 -6.916 3.983 4.136 1.00 0.00 O ATOM 214 CB ILE A 18 -6.946 7.193 3.260 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.837 8.434 3.183 1.00 0.00 C ATOM 216 CG2 ILE A 18 -7.041 6.386 1.974 1.00 0.00 C ATOM 217 CD1 ILE A 18 -7.153 9.632 2.562 1.00 0.00 C ATOM 0 H ILE A 18 -7.132 8.075 5.602 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.386 6.032 4.370 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.913 7.518 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.729 8.195 2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.169 8.696 4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.759 7.014 1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.368 5.530 2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.064 6.035 1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.844 10.475 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.276 9.897 3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.845 9.389 1.545 1.00 0.00 H new ATOM 229 N LEU A 19 -5.217 5.241 4.908 1.00 0.00 N ATOM 230 CA LEU A 19 -4.279 4.126 4.978 1.00 0.00 C ATOM 231 C LEU A 19 -4.846 2.989 5.822 1.00 0.00 C ATOM 232 O LEU A 19 -4.835 1.829 5.409 1.00 0.00 O ATOM 233 CB LEU A 19 -2.944 4.592 5.561 1.00 0.00 C ATOM 234 CG LEU A 19 -1.836 3.541 5.626 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.471 3.062 4.229 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.612 4.100 6.337 1.00 0.00 C ATOM 0 H LEU A 19 -4.830 6.137 5.203 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.117 3.756 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.585 5.433 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.122 4.966 6.569 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.204 2.688 6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.681 2.314 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.348 2.622 3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.122 3.906 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.167 3.338 6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.242 4.971 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.882 4.392 7.352 1.00 0.00 H new ATOM 248 N THR A 20 -5.344 3.330 7.007 1.00 0.00 N ATOM 249 CA THR A 20 -5.917 2.339 7.909 1.00 0.00 C ATOM 250 C THR A 20 -6.955 1.481 7.195 1.00 0.00 C ATOM 251 O THR A 20 -6.756 0.282 7.002 1.00 0.00 O ATOM 252 CB THR A 20 -6.572 3.006 9.133 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.596 3.759 9.861 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.200 1.963 10.046 1.00 0.00 C ATOM 0 H THR A 20 -5.362 4.285 7.364 1.00 0.00 H new ATOM 0 HA THR A 20 -5.096 1.706 8.246 1.00 0.00 H new ATOM 0 HB THR A 20 -7.356 3.675 8.779 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.320 4.536 9.331 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.656 2.458 10.903 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.963 1.411 9.497 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.431 1.272 10.392 1.00 0.00 H new ATOM 262 N GLU A 21 -8.064 2.103 6.806 1.00 0.00 N ATOM 263 CA GLU A 21 -9.133 1.394 6.113 1.00 0.00 C ATOM 264 C GLU A 21 -8.567 0.464 5.044 1.00 0.00 C ATOM 265 O GLU A 21 -8.823 -0.739 5.055 1.00 0.00 O ATOM 266 CB GLU A 21 -10.105 2.389 5.476 1.00 0.00 C ATOM 267 CG GLU A 21 -10.937 3.160 6.487 1.00 0.00 C ATOM 268 CD GLU A 21 -12.033 2.314 7.106 1.00 0.00 C ATOM 269 OE1 GLU A 21 -11.709 1.429 7.925 1.00 0.00 O ATOM 270 OE2 GLU A 21 -13.216 2.539 6.772 1.00 0.00 O ATOM 0 H GLU A 21 -8.245 3.095 6.959 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.669 0.791 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.541 3.096 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.773 1.851 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.286 3.538 7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.383 4.027 5.999 1.00 0.00 H new ATOM 277 N MET A 22 -7.796 1.032 4.122 1.00 0.00 N ATOM 278 CA MET A 22 -7.192 0.254 3.046 1.00 0.00 C ATOM 279 C MET A 22 -6.387 -0.914 3.606 1.00 0.00 C ATOM 280 O MET A 22 -6.435 -2.023 3.075 1.00 0.00 O ATOM 281 CB MET A 22 -6.292 1.144 2.188 1.00 0.00 C ATOM 282 CG MET A 22 -7.045 2.244 1.456 1.00 0.00 C ATOM 283 SD MET A 22 -6.145 2.867 0.023 1.00 0.00 S ATOM 284 CE MET A 22 -4.617 3.403 0.789 1.00 0.00 C ATOM 0 H MET A 22 -7.575 2.027 4.098 1.00 0.00 H new ATOM 0 HA MET A 22 -7.994 -0.145 2.425 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.531 1.597 2.823 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.771 0.524 1.458 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.014 1.863 1.134 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.238 3.067 2.144 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.295 4.343 0.341 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.777 3.547 1.858 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.848 2.646 0.636 1.00 0.00 H new ATOM 294 N GLU A 23 -5.648 -0.657 4.681 1.00 0.00 N ATOM 295 CA GLU A 23 -4.832 -1.688 5.311 1.00 0.00 C ATOM 296 C GLU A 23 -5.700 -2.842 5.805 1.00 0.00 C ATOM 297 O GLU A 23 -5.217 -3.958 6.003 1.00 0.00 O ATOM 298 CB GLU A 23 -4.035 -1.098 6.476 1.00 0.00 C ATOM 299 CG GLU A 23 -2.776 -0.367 6.044 1.00 0.00 C ATOM 300 CD GLU A 23 -1.678 -0.427 7.089 1.00 0.00 C ATOM 301 OE1 GLU A 23 -1.462 -1.518 7.658 1.00 0.00 O ATOM 302 OE2 GLU A 23 -1.037 0.615 7.338 1.00 0.00 O ATOM 0 H GLU A 23 -5.598 0.256 5.133 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.137 -2.073 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.673 -0.409 7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.762 -1.900 7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.410 -0.800 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.019 0.675 5.837 1.00 0.00 H new ATOM 309 N THR A 24 -6.985 -2.565 6.005 1.00 0.00 N ATOM 310 CA THR A 24 -7.920 -3.578 6.478 1.00 0.00 C ATOM 311 C THR A 24 -8.844 -4.040 5.357 1.00 0.00 C ATOM 312 O THR A 24 -10.011 -4.355 5.591 1.00 0.00 O ATOM 313 CB THR A 24 -8.773 -3.052 7.647 1.00 0.00 C ATOM 314 OG1 THR A 24 -9.554 -1.931 7.218 1.00 0.00 O ATOM 315 CG2 THR A 24 -7.893 -2.645 8.819 1.00 0.00 C ATOM 0 H THR A 24 -7.402 -1.648 5.847 1.00 0.00 H new ATOM 0 HA THR A 24 -7.323 -4.422 6.824 1.00 0.00 H new ATOM 0 HB THR A 24 -9.437 -3.853 7.973 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.358 -1.736 6.278 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.518 -2.277 9.633 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.322 -3.508 9.162 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.208 -1.858 8.503 1.00 0.00 H new ATOM 323 N HIS A 25 -8.315 -4.078 4.138 1.00 0.00 N ATOM 324 CA HIS A 25 -9.093 -4.503 2.980 1.00 0.00 C ATOM 325 C HIS A 25 -8.821 -5.968 2.650 1.00 0.00 C ATOM 326 O HIS A 25 -7.696 -6.446 2.790 1.00 0.00 O ATOM 327 CB HIS A 25 -8.766 -3.627 1.770 1.00 0.00 C ATOM 328 CG HIS A 25 -9.910 -3.472 0.816 1.00 0.00 C ATOM 329 ND1 HIS A 25 -9.975 -4.129 -0.395 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.040 -2.731 0.901 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.094 -3.798 -1.014 1.00 0.00 C ATOM 332 NE2 HIS A 25 -11.758 -2.950 -0.249 1.00 0.00 N ATOM 0 H HIS A 25 -7.351 -3.820 3.927 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.150 -4.394 3.224 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.458 -2.641 2.118 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.917 -4.057 1.239 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.324 -2.088 1.721 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.412 -4.159 -1.981 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.658 -2.527 -0.476 1.00 0.00 H new ATOM 340 N GLU A 26 -9.859 -6.674 2.213 1.00 0.00 N ATOM 341 CA GLU A 26 -9.731 -8.084 1.866 1.00 0.00 C ATOM 342 C GLU A 26 -8.743 -8.275 0.720 1.00 0.00 C ATOM 343 O GLU A 26 -8.332 -9.396 0.420 1.00 0.00 O ATOM 344 CB GLU A 26 -11.094 -8.663 1.480 1.00 0.00 C ATOM 345 CG GLU A 26 -11.693 -8.032 0.235 1.00 0.00 C ATOM 346 CD GLU A 26 -13.153 -8.395 0.041 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.955 -8.138 0.963 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.493 -8.935 -1.032 1.00 0.00 O ATOM 0 H GLU A 26 -10.797 -6.293 2.091 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.353 -8.614 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.991 -9.736 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.785 -8.530 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.598 -6.948 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.124 -8.350 -0.639 1.00 0.00 H new ATOM 355 N ASP A 27 -8.366 -7.172 0.082 1.00 0.00 N ATOM 356 CA ASP A 27 -7.425 -7.216 -1.031 1.00 0.00 C ATOM 357 C ASP A 27 -6.330 -6.168 -0.859 1.00 0.00 C ATOM 358 O ASP A 27 -5.879 -5.562 -1.831 1.00 0.00 O ATOM 359 CB ASP A 27 -8.158 -6.993 -2.355 1.00 0.00 C ATOM 360 CG ASP A 27 -8.782 -8.266 -2.893 1.00 0.00 C ATOM 361 OD1 ASP A 27 -9.946 -8.549 -2.542 1.00 0.00 O ATOM 362 OD2 ASP A 27 -8.106 -8.979 -3.664 1.00 0.00 O ATOM 0 H ASP A 27 -8.698 -6.236 0.317 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.960 -8.202 -1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.935 -6.242 -2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.460 -6.595 -3.091 1.00 0.00 H new ATOM 367 N ALA A 28 -5.907 -5.960 0.384 1.00 0.00 N ATOM 368 CA ALA A 28 -4.864 -4.987 0.683 1.00 0.00 C ATOM 369 C ALA A 28 -3.686 -5.645 1.393 1.00 0.00 C ATOM 370 O ALA A 28 -2.707 -4.982 1.736 1.00 0.00 O ATOM 371 CB ALA A 28 -5.427 -3.854 1.529 1.00 0.00 C ATOM 0 H ALA A 28 -6.271 -6.452 1.200 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.502 -4.577 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.637 -3.134 1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.231 -3.358 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.817 -4.257 2.464 1.00 0.00 H new ATOM 377 N TRP A 29 -3.788 -6.951 1.611 1.00 0.00 N ATOM 378 CA TRP A 29 -2.730 -7.698 2.281 1.00 0.00 C ATOM 379 C TRP A 29 -1.545 -7.921 1.348 1.00 0.00 C ATOM 380 O TRP A 29 -0.393 -8.010 1.773 1.00 0.00 O ATOM 381 CB TRP A 29 -3.264 -9.043 2.778 1.00 0.00 C ATOM 382 CG TRP A 29 -3.619 -9.987 1.670 1.00 0.00 C ATOM 383 CD1 TRP A 29 -4.875 -10.335 1.261 1.00 0.00 C ATOM 384 CD2 TRP A 29 -2.708 -10.705 0.830 1.00 0.00 C ATOM 385 NE1 TRP A 29 -4.799 -11.226 0.218 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.481 -11.468 -0.066 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.315 -10.775 0.747 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -2.906 -12.291 -1.031 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -0.745 -11.592 -0.211 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.539 -12.341 -1.090 1.00 0.00 C ATOM 0 H TRP A 29 -4.592 -7.514 1.334 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.390 -7.112 3.135 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.514 -9.510 3.417 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.146 -8.870 3.395 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.792 -9.964 1.694 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.595 -11.640 -0.267 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.695 -10.201 1.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.517 -12.869 -1.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.331 -11.654 -0.283 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.063 -12.970 -1.828 1.00 0.00 H new ATOM 401 N PRO A 30 -1.829 -8.013 0.041 1.00 0.00 N ATOM 402 CA PRO A 30 -0.715 -8.227 -0.888 1.00 0.00 C ATOM 403 C PRO A 30 0.446 -7.274 -0.629 1.00 0.00 C ATOM 404 O PRO A 30 1.576 -7.527 -1.049 1.00 0.00 O ATOM 405 CB PRO A 30 -1.338 -7.950 -2.258 1.00 0.00 C ATOM 406 CG PRO A 30 -2.789 -8.240 -2.081 1.00 0.00 C ATOM 407 CD PRO A 30 -3.125 -7.933 -0.654 1.00 0.00 C ATOM 0 HA PRO A 30 -0.290 -9.226 -0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.176 -6.917 -2.565 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.899 -8.584 -3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.389 -7.632 -2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.005 -9.283 -2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.572 -6.944 -0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.840 -8.649 -0.249 1.00 0.00 H new ATOM 415 N PHE A 31 0.162 -6.177 0.067 1.00 0.00 N ATOM 416 CA PHE A 31 1.184 -5.186 0.382 1.00 0.00 C ATOM 417 C PHE A 31 1.439 -5.126 1.885 1.00 0.00 C ATOM 418 O PHE A 31 2.564 -4.888 2.327 1.00 0.00 O ATOM 419 CB PHE A 31 0.763 -3.807 -0.131 1.00 0.00 C ATOM 420 CG PHE A 31 -0.073 -3.861 -1.378 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.437 -4.091 -1.305 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.507 -3.682 -2.624 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.208 -4.142 -2.451 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.259 -3.731 -3.774 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.618 -3.961 -3.687 1.00 0.00 C ATOM 0 H PHE A 31 -0.767 -5.953 0.423 1.00 0.00 H new ATOM 0 HA PHE A 31 2.108 -5.484 -0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.203 -3.293 0.650 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.656 -3.213 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.904 -4.232 -0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.569 -3.502 -2.697 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.270 -4.323 -2.380 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.205 -3.590 -4.739 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.219 -3.999 -4.584 1.00 0.00 H new ATOM 435 N LEU A 32 0.386 -5.342 2.666 1.00 0.00 N ATOM 436 CA LEU A 32 0.494 -5.313 4.121 1.00 0.00 C ATOM 437 C LEU A 32 1.870 -5.789 4.575 1.00 0.00 C ATOM 438 O LEU A 32 2.486 -5.191 5.458 1.00 0.00 O ATOM 439 CB LEU A 32 -0.594 -6.185 4.750 1.00 0.00 C ATOM 440 CG LEU A 32 -1.975 -5.542 4.885 1.00 0.00 C ATOM 441 CD1 LEU A 32 -2.958 -6.518 5.512 1.00 0.00 C ATOM 442 CD2 LEU A 32 -1.891 -4.265 5.707 1.00 0.00 C ATOM 0 H LEU A 32 -0.552 -5.539 2.317 1.00 0.00 H new ATOM 0 HA LEU A 32 0.360 -4.283 4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.694 -7.092 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.259 -6.490 5.741 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.334 -5.285 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.935 -6.044 5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.041 -7.405 4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.604 -6.806 6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.883 -3.821 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.510 -4.497 6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.219 -3.560 5.217 1.00 0.00 H new ATOM 454 N LEU A 33 2.348 -6.868 3.964 1.00 0.00 N ATOM 455 CA LEU A 33 3.653 -7.424 4.304 1.00 0.00 C ATOM 456 C LEU A 33 4.657 -7.183 3.180 1.00 0.00 C ATOM 457 O LEU A 33 4.316 -7.194 1.997 1.00 0.00 O ATOM 458 CB LEU A 33 3.533 -8.923 4.583 1.00 0.00 C ATOM 459 CG LEU A 33 2.968 -9.308 5.950 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.695 -10.803 6.013 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.923 -8.891 7.059 1.00 0.00 C ATOM 0 H LEU A 33 1.852 -7.375 3.231 1.00 0.00 H new ATOM 0 HA LEU A 33 4.013 -6.921 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.901 -9.366 3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.521 -9.371 4.481 1.00 0.00 H new ATOM 0 HG LEU A 33 2.025 -8.781 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.293 -11.058 6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.973 -11.074 5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.623 -11.350 5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.504 -9.173 8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.882 -9.390 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.068 -7.811 7.028 1.00 0.00 H new ATOM 473 N PRO A 34 5.925 -6.962 3.557 1.00 0.00 N ATOM 474 CA PRO A 34 7.005 -6.717 2.597 1.00 0.00 C ATOM 475 C PRO A 34 7.358 -7.962 1.791 1.00 0.00 C ATOM 476 O PRO A 34 7.299 -9.081 2.301 1.00 0.00 O ATOM 477 CB PRO A 34 8.181 -6.302 3.484 1.00 0.00 C ATOM 478 CG PRO A 34 7.899 -6.929 4.805 1.00 0.00 C ATOM 479 CD PRO A 34 6.402 -6.934 4.950 1.00 0.00 C ATOM 0 HA PRO A 34 6.728 -5.968 1.855 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.129 -6.652 3.074 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.251 -5.217 3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.299 -7.942 4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.367 -6.366 5.612 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.055 -7.802 5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.046 -6.050 5.479 1.00 0.00 H new ATOM 487 N VAL A 35 7.726 -7.761 0.530 1.00 0.00 N ATOM 488 CA VAL A 35 8.091 -8.868 -0.346 1.00 0.00 C ATOM 489 C VAL A 35 9.507 -9.354 -0.058 1.00 0.00 C ATOM 490 O VAL A 35 10.480 -8.641 -0.302 1.00 0.00 O ATOM 491 CB VAL A 35 7.989 -8.467 -1.830 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.391 -9.629 -2.726 1.00 0.00 C ATOM 493 CG2 VAL A 35 6.581 -7.993 -2.158 1.00 0.00 C ATOM 0 H VAL A 35 7.779 -6.841 0.092 1.00 0.00 H new ATOM 0 HA VAL A 35 7.386 -9.675 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 35 8.678 -7.642 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.313 -9.327 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.419 -9.918 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.730 -10.476 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.527 -7.714 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.871 -8.796 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.335 -7.129 -1.540 1.00 0.00 H new ATOM 503 N ASN A 36 9.615 -10.572 0.463 1.00 0.00 N ATOM 504 CA ASN A 36 10.913 -11.153 0.785 1.00 0.00 C ATOM 505 C ASN A 36 11.772 -11.294 -0.468 1.00 0.00 C ATOM 506 O ASN A 36 11.533 -12.167 -1.303 1.00 0.00 O ATOM 507 CB ASN A 36 10.733 -12.519 1.449 1.00 0.00 C ATOM 508 CG ASN A 36 10.536 -12.411 2.949 1.00 0.00 C ATOM 509 OD1 ASN A 36 9.407 -12.425 3.441 1.00 0.00 O ATOM 510 ND2 ASN A 36 11.637 -12.302 3.684 1.00 0.00 N ATOM 0 H ASN A 36 8.819 -11.175 0.671 1.00 0.00 H new ATOM 0 HA ASN A 36 11.421 -10.483 1.479 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.874 -13.024 1.008 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.606 -13.138 1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.567 -12.226 4.699 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.552 -12.295 3.234 1.00 0.00 H new ATOM 517 N LEU A 37 12.772 -10.429 -0.593 1.00 0.00 N ATOM 518 CA LEU A 37 13.668 -10.457 -1.744 1.00 0.00 C ATOM 519 C LEU A 37 14.424 -11.780 -1.814 1.00 0.00 C ATOM 520 O LEU A 37 14.675 -12.308 -2.898 1.00 0.00 O ATOM 521 CB LEU A 37 14.659 -9.293 -1.672 1.00 0.00 C ATOM 522 CG LEU A 37 14.062 -7.922 -1.352 1.00 0.00 C ATOM 523 CD1 LEU A 37 15.159 -6.875 -1.241 1.00 0.00 C ATOM 524 CD2 LEU A 37 13.047 -7.522 -2.413 1.00 0.00 C ATOM 0 H LEU A 37 12.983 -9.700 0.088 1.00 0.00 H new ATOM 0 HA LEU A 37 13.064 -10.357 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.408 -9.526 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.180 -9.226 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 37 13.550 -7.985 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.715 -5.906 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.849 -7.154 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.700 -6.813 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.632 -6.544 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.536 -7.477 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.244 -8.259 -2.445 1.00 0.00 H new ATOM 536 N LYS A 38 14.784 -12.312 -0.651 1.00 0.00 N ATOM 537 CA LYS A 38 15.508 -13.575 -0.578 1.00 0.00 C ATOM 538 C LYS A 38 14.628 -14.734 -1.035 1.00 0.00 C ATOM 539 O LYS A 38 15.100 -15.667 -1.686 1.00 0.00 O ATOM 540 CB LYS A 38 15.997 -13.825 0.850 1.00 0.00 C ATOM 541 CG LYS A 38 17.317 -13.144 1.169 1.00 0.00 C ATOM 542 CD LYS A 38 17.658 -13.253 2.646 1.00 0.00 C ATOM 543 CE LYS A 38 18.586 -12.131 3.088 1.00 0.00 C ATOM 544 NZ LYS A 38 20.016 -12.468 2.847 1.00 0.00 N ATOM 0 H LYS A 38 14.586 -11.887 0.255 1.00 0.00 H new ATOM 0 HA LYS A 38 16.368 -13.510 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.239 -13.476 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.105 -14.898 1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 38 18.113 -13.595 0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.264 -12.093 0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.742 -13.222 3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 38 18.130 -14.216 2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 38 18.333 -11.217 2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.434 -11.930 4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 20.616 -11.679 3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 20.265 -13.326 3.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 20.167 -12.635 1.832 1.00 0.00 H new ATOM 558 N LEU A 39 13.346 -14.669 -0.692 1.00 0.00 N ATOM 559 CA LEU A 39 12.399 -15.712 -1.069 1.00 0.00 C ATOM 560 C LEU A 39 11.957 -15.548 -2.520 1.00 0.00 C ATOM 561 O LEU A 39 12.180 -16.429 -3.351 1.00 0.00 O ATOM 562 CB LEU A 39 11.180 -15.679 -0.146 1.00 0.00 C ATOM 563 CG LEU A 39 11.468 -15.799 1.351 1.00 0.00 C ATOM 564 CD1 LEU A 39 10.191 -15.617 2.157 1.00 0.00 C ATOM 565 CD2 LEU A 39 12.111 -17.143 1.664 1.00 0.00 C ATOM 0 H LEU A 39 12.939 -13.905 -0.153 1.00 0.00 H new ATOM 0 HA LEU A 39 12.898 -16.676 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.644 -14.746 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.510 -16.490 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 39 12.166 -15.010 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.416 -15.706 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.771 -14.631 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.470 -16.383 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.309 -17.211 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.437 -17.947 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.048 -17.235 1.115 1.00 0.00 H new ATOM 577 N VAL A 40 11.331 -14.414 -2.818 1.00 0.00 N ATOM 578 CA VAL A 40 10.861 -14.133 -4.169 1.00 0.00 C ATOM 579 C VAL A 40 12.018 -14.116 -5.162 1.00 0.00 C ATOM 580 O VAL A 40 13.089 -13.570 -4.895 1.00 0.00 O ATOM 581 CB VAL A 40 10.121 -12.784 -4.237 1.00 0.00 C ATOM 582 CG1 VAL A 40 9.577 -12.542 -5.636 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.004 -12.737 -3.206 1.00 0.00 C ATOM 0 H VAL A 40 11.138 -13.675 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 40 10.169 -14.932 -4.435 1.00 0.00 H new ATOM 0 HB VAL A 40 10.830 -11.989 -4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.058 -11.584 -5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.401 -12.529 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.882 -13.339 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.492 -11.777 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.294 -13.540 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.425 -12.860 -2.208 1.00 0.00 H new ATOM 593 N PRO A 41 11.800 -14.728 -6.335 1.00 0.00 N ATOM 594 CA PRO A 41 12.813 -14.796 -7.392 1.00 0.00 C ATOM 595 C PRO A 41 13.071 -13.438 -8.037 1.00 0.00 C ATOM 596 O PRO A 41 12.369 -13.037 -8.964 1.00 0.00 O ATOM 597 CB PRO A 41 12.200 -15.763 -8.409 1.00 0.00 C ATOM 598 CG PRO A 41 10.730 -15.661 -8.190 1.00 0.00 C ATOM 599 CD PRO A 41 10.548 -15.400 -6.720 1.00 0.00 C ATOM 0 HA PRO A 41 13.781 -15.116 -7.008 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.468 -15.487 -9.429 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.554 -16.782 -8.250 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.302 -14.855 -8.786 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.226 -16.580 -8.489 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.679 -14.771 -6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.401 -16.325 -6.163 1.00 0.00 H new ATOM 607 N GLY A 42 14.084 -12.735 -7.539 1.00 0.00 N ATOM 608 CA GLY A 42 14.416 -11.429 -8.079 1.00 0.00 C ATOM 609 C GLY A 42 13.226 -10.491 -8.102 1.00 0.00 C ATOM 610 O GLY A 42 12.587 -10.313 -9.139 1.00 0.00 O ATOM 0 H GLY A 42 14.680 -13.046 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.213 -10.985 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.802 -11.546 -9.092 1.00 0.00 H new ATOM 614 N TYR A 43 12.926 -9.891 -6.955 1.00 0.00 N ATOM 615 CA TYR A 43 11.802 -8.969 -6.847 1.00 0.00 C ATOM 616 C TYR A 43 12.263 -7.525 -7.021 1.00 0.00 C ATOM 617 O TYR A 43 11.685 -6.766 -7.801 1.00 0.00 O ATOM 618 CB TYR A 43 11.109 -9.134 -5.493 1.00 0.00 C ATOM 619 CG TYR A 43 9.941 -8.195 -5.292 1.00 0.00 C ATOM 620 CD1 TYR A 43 8.781 -8.326 -6.046 1.00 0.00 C ATOM 621 CD2 TYR A 43 9.997 -7.178 -4.348 1.00 0.00 C ATOM 622 CE1 TYR A 43 7.712 -7.469 -5.866 1.00 0.00 C ATOM 623 CE2 TYR A 43 8.932 -6.318 -4.160 1.00 0.00 C ATOM 624 CZ TYR A 43 7.792 -6.467 -4.922 1.00 0.00 C ATOM 625 OH TYR A 43 6.729 -5.613 -4.739 1.00 0.00 O ATOM 0 H TYR A 43 13.445 -10.027 -6.088 1.00 0.00 H new ATOM 0 HA TYR A 43 11.094 -9.204 -7.642 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.759 -10.162 -5.396 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.837 -8.969 -4.699 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.714 -9.111 -6.785 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.888 -7.057 -3.750 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.818 -7.583 -6.462 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.992 -5.533 -3.420 1.00 0.00 H new ATOM 0 HH TYR A 43 6.947 -4.966 -4.036 1.00 0.00 H new ATOM 635 N LYS A 44 13.308 -7.152 -6.291 1.00 0.00 N ATOM 636 CA LYS A 44 13.850 -5.800 -6.364 1.00 0.00 C ATOM 637 C LYS A 44 14.230 -5.443 -7.798 1.00 0.00 C ATOM 638 O LYS A 44 14.022 -4.315 -8.244 1.00 0.00 O ATOM 639 CB LYS A 44 15.073 -5.669 -5.454 1.00 0.00 C ATOM 640 CG LYS A 44 15.268 -4.270 -4.895 1.00 0.00 C ATOM 641 CD LYS A 44 16.061 -4.292 -3.599 1.00 0.00 C ATOM 642 CE LYS A 44 16.297 -2.888 -3.066 1.00 0.00 C ATOM 643 NZ LYS A 44 15.042 -2.270 -2.554 1.00 0.00 N ATOM 0 H LYS A 44 13.797 -7.767 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 44 13.078 -5.107 -6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.977 -6.372 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.964 -5.955 -6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.786 -3.653 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.296 -3.809 -4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.526 -4.880 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.019 -4.785 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.037 -2.923 -2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.712 -2.264 -3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.254 -1.334 -2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.362 -2.167 -3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.632 -2.877 -1.816 1.00 0.00 H new ATOM 657 N LYS A 45 14.786 -6.413 -8.516 1.00 0.00 N ATOM 658 CA LYS A 45 15.193 -6.202 -9.900 1.00 0.00 C ATOM 659 C LYS A 45 14.041 -5.639 -10.726 1.00 0.00 C ATOM 660 O LYS A 45 14.216 -4.689 -11.488 1.00 0.00 O ATOM 661 CB LYS A 45 15.681 -7.516 -10.515 1.00 0.00 C ATOM 662 CG LYS A 45 17.039 -7.961 -10.001 1.00 0.00 C ATOM 663 CD LYS A 45 17.708 -8.932 -10.960 1.00 0.00 C ATOM 664 CE LYS A 45 17.196 -10.350 -10.764 1.00 0.00 C ATOM 665 NZ LYS A 45 15.995 -10.627 -11.600 1.00 0.00 N ATOM 0 H LYS A 45 14.965 -7.353 -8.162 1.00 0.00 H new ATOM 0 HA LYS A 45 16.009 -5.479 -9.907 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.950 -8.298 -10.309 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.731 -7.404 -11.598 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.679 -7.090 -9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.923 -8.434 -9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.524 -8.616 -11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.787 -8.909 -10.808 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.985 -11.059 -11.016 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.951 -10.506 -9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.925 -11.649 -11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.142 -10.304 -11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.078 -10.122 -12.505 1.00 0.00 H new ATOM 679 N VAL A 46 12.861 -6.232 -10.569 1.00 0.00 N ATOM 680 CA VAL A 46 11.679 -5.787 -11.299 1.00 0.00 C ATOM 681 C VAL A 46 11.082 -4.535 -10.667 1.00 0.00 C ATOM 682 O VAL A 46 10.703 -3.595 -11.366 1.00 0.00 O ATOM 683 CB VAL A 46 10.603 -6.888 -11.347 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.322 -6.355 -11.971 1.00 0.00 C ATOM 685 CG2 VAL A 46 11.114 -8.100 -12.111 1.00 0.00 C ATOM 0 H VAL A 46 12.698 -7.021 -9.943 1.00 0.00 H new ATOM 0 HA VAL A 46 12.001 -5.559 -12.315 1.00 0.00 H new ATOM 0 HB VAL A 46 10.380 -7.199 -10.326 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.573 -7.147 -11.997 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.948 -5.521 -11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.526 -6.015 -12.986 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.341 -8.868 -12.135 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.367 -7.808 -13.130 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.002 -8.494 -11.616 1.00 0.00 H new ATOM 695 N ILE A 47 11.002 -4.529 -9.340 1.00 0.00 N ATOM 696 CA ILE A 47 10.452 -3.391 -8.614 1.00 0.00 C ATOM 697 C ILE A 47 11.556 -2.436 -8.172 1.00 0.00 C ATOM 698 O ILE A 47 12.344 -2.750 -7.280 1.00 0.00 O ATOM 699 CB ILE A 47 9.655 -3.845 -7.377 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.552 -4.823 -7.784 1.00 0.00 C ATOM 701 CG2 ILE A 47 9.065 -2.642 -6.657 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.648 -4.294 -8.876 1.00 0.00 C ATOM 0 H ILE A 47 11.311 -5.299 -8.747 1.00 0.00 H new ATOM 0 HA ILE A 47 9.780 -2.874 -9.299 1.00 0.00 H new ATOM 0 HB ILE A 47 10.333 -4.356 -6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.009 -5.754 -8.121 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.949 -5.063 -6.908 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.505 -2.979 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.869 -1.979 -6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.398 -2.105 -7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.890 -5.040 -9.114 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.163 -3.379 -8.535 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.239 -4.081 -9.767 1.00 0.00 H new ATOM 714 N LYS A 48 11.605 -1.267 -8.801 1.00 0.00 N ATOM 715 CA LYS A 48 12.610 -0.262 -8.471 1.00 0.00 C ATOM 716 C LYS A 48 12.511 0.145 -7.005 1.00 0.00 C ATOM 717 O LYS A 48 13.509 0.154 -6.283 1.00 0.00 O ATOM 718 CB LYS A 48 12.443 0.968 -9.366 1.00 0.00 C ATOM 719 CG LYS A 48 12.844 0.728 -10.811 1.00 0.00 C ATOM 720 CD LYS A 48 14.354 0.654 -10.966 1.00 0.00 C ATOM 721 CE LYS A 48 14.955 2.027 -11.227 1.00 0.00 C ATOM 722 NZ LYS A 48 15.216 2.768 -9.962 1.00 0.00 N ATOM 0 H LYS A 48 10.961 -0.991 -9.542 1.00 0.00 H new ATOM 0 HA LYS A 48 13.594 -0.698 -8.643 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.402 1.291 -9.335 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.042 1.785 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.395 -0.200 -11.165 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.452 1.530 -11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.793 0.229 -10.063 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.604 -0.016 -11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.887 1.916 -11.782 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.278 2.607 -11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.160 3.203 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.498 3.510 -9.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.173 2.109 -9.159 1.00 0.00 H new ATOM 736 N LYS A 49 11.302 0.481 -6.569 1.00 0.00 N ATOM 737 CA LYS A 49 11.072 0.887 -5.187 1.00 0.00 C ATOM 738 C LYS A 49 9.969 0.047 -4.550 1.00 0.00 C ATOM 739 O LYS A 49 8.790 0.397 -4.585 1.00 0.00 O ATOM 740 CB LYS A 49 10.697 2.369 -5.125 1.00 0.00 C ATOM 741 CG LYS A 49 11.895 3.293 -4.984 1.00 0.00 C ATOM 742 CD LYS A 49 11.464 4.735 -4.770 1.00 0.00 C ATOM 743 CE LYS A 49 10.865 4.939 -3.387 1.00 0.00 C ATOM 744 NZ LYS A 49 10.714 6.383 -3.056 1.00 0.00 N ATOM 0 H LYS A 49 10.466 0.480 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 49 11.995 0.728 -4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.148 2.635 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.023 2.530 -4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.510 2.968 -4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.515 3.226 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.322 5.395 -4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.733 5.014 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.892 4.451 -3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.500 4.460 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.303 6.480 -2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.646 6.844 -3.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.088 6.835 -3.752 1.00 0.00 H new ATOM 758 N PRO A 50 10.361 -1.088 -3.952 1.00 0.00 N ATOM 759 CA PRO A 50 9.421 -2.000 -3.293 1.00 0.00 C ATOM 760 C PRO A 50 8.841 -1.410 -2.013 1.00 0.00 C ATOM 761 O PRO A 50 9.429 -1.534 -0.939 1.00 0.00 O ATOM 762 CB PRO A 50 10.280 -3.226 -2.975 1.00 0.00 C ATOM 763 CG PRO A 50 11.672 -2.701 -2.885 1.00 0.00 C ATOM 764 CD PRO A 50 11.750 -1.568 -3.871 1.00 0.00 C ATOM 0 HA PRO A 50 8.558 -2.219 -3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.972 -3.693 -2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.192 -3.984 -3.754 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.895 -2.356 -1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.399 -3.478 -3.124 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.426 -0.784 -3.530 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.116 -1.904 -4.841 1.00 0.00 H new ATOM 772 N MET A 51 7.683 -0.768 -2.134 1.00 0.00 N ATOM 773 CA MET A 51 7.023 -0.160 -0.985 1.00 0.00 C ATOM 774 C MET A 51 5.994 -1.111 -0.382 1.00 0.00 C ATOM 775 O MET A 51 5.627 -2.113 -0.996 1.00 0.00 O ATOM 776 CB MET A 51 6.346 1.150 -1.392 1.00 0.00 C ATOM 777 CG MET A 51 5.880 1.987 -0.212 1.00 0.00 C ATOM 778 SD MET A 51 7.201 2.319 0.969 1.00 0.00 S ATOM 779 CE MET A 51 8.261 3.388 -0.002 1.00 0.00 C ATOM 0 H MET A 51 7.183 -0.656 -3.016 1.00 0.00 H new ATOM 0 HA MET A 51 7.782 0.050 -0.232 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.041 1.738 -1.991 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.490 0.924 -2.027 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.479 2.932 -0.578 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.065 1.470 0.296 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.108 3.709 0.604 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.624 2.845 -0.874 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.696 4.262 -0.328 1.00 0.00 H new ATOM 789 N ASP A 52 5.534 -0.792 0.822 1.00 0.00 N ATOM 790 CA ASP A 52 4.547 -1.618 1.507 1.00 0.00 C ATOM 791 C ASP A 52 3.816 -0.815 2.579 1.00 0.00 C ATOM 792 O ASP A 52 4.332 0.183 3.082 1.00 0.00 O ATOM 793 CB ASP A 52 5.220 -2.838 2.137 1.00 0.00 C ATOM 794 CG ASP A 52 6.340 -2.457 3.085 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.212 -1.659 2.682 1.00 0.00 O ATOM 796 OD2 ASP A 52 6.344 -2.956 4.230 1.00 0.00 O ATOM 0 H ASP A 52 5.829 0.033 1.344 1.00 0.00 H new ATOM 0 HA ASP A 52 3.818 -1.955 0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.475 -3.422 2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.617 -3.478 1.349 1.00 0.00 H new ATOM 801 N PHE A 53 2.611 -1.257 2.923 1.00 0.00 N ATOM 802 CA PHE A 53 1.807 -0.579 3.934 1.00 0.00 C ATOM 803 C PHE A 53 2.517 -0.582 5.285 1.00 0.00 C ATOM 804 O PHE A 53 2.442 0.388 6.039 1.00 0.00 O ATOM 805 CB PHE A 53 0.439 -1.251 4.063 1.00 0.00 C ATOM 806 CG PHE A 53 -0.483 -0.959 2.914 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.676 0.341 2.476 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.156 -1.985 2.270 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.525 0.613 1.419 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.005 -1.720 1.213 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.189 -0.420 0.786 1.00 0.00 C ATOM 0 H PHE A 53 2.169 -2.082 2.517 1.00 0.00 H new ATOM 0 HA PHE A 53 1.668 0.455 3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.579 -2.329 4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.032 -0.922 4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.157 1.152 2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.015 -3.004 2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.669 1.631 1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.524 -2.529 0.721 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.851 -0.211 -0.041 1.00 0.00 H new ATOM 821 N SER A 54 3.206 -1.679 5.582 1.00 0.00 N ATOM 822 CA SER A 54 3.926 -1.811 6.843 1.00 0.00 C ATOM 823 C SER A 54 4.970 -0.708 6.991 1.00 0.00 C ATOM 824 O SER A 54 5.198 -0.193 8.087 1.00 0.00 O ATOM 825 CB SER A 54 4.601 -3.181 6.929 1.00 0.00 C ATOM 826 OG SER A 54 5.163 -3.394 8.212 1.00 0.00 O ATOM 0 H SER A 54 3.281 -2.489 4.967 1.00 0.00 H new ATOM 0 HA SER A 54 3.205 -1.717 7.655 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.873 -3.963 6.714 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.381 -3.254 6.171 1.00 0.00 H new ATOM 0 HG SER A 54 5.587 -4.277 8.241 1.00 0.00 H new ATOM 832 N THR A 55 5.603 -0.348 5.879 1.00 0.00 N ATOM 833 CA THR A 55 6.623 0.693 5.882 1.00 0.00 C ATOM 834 C THR A 55 5.994 2.081 5.847 1.00 0.00 C ATOM 835 O THR A 55 6.218 2.897 6.741 1.00 0.00 O ATOM 836 CB THR A 55 7.581 0.545 4.685 1.00 0.00 C ATOM 837 OG1 THR A 55 8.234 -0.728 4.734 1.00 0.00 O ATOM 838 CG2 THR A 55 8.622 1.655 4.684 1.00 0.00 C ATOM 0 H THR A 55 5.427 -0.763 4.964 1.00 0.00 H new ATOM 0 HA THR A 55 7.188 0.577 6.807 1.00 0.00 H new ATOM 0 HB THR A 55 6.995 0.617 3.769 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.355 -1.069 3.823 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.287 1.529 3.830 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.123 2.622 4.616 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.203 1.610 5.605 1.00 0.00 H new ATOM 846 N ILE A 56 5.205 2.341 4.809 1.00 0.00 N ATOM 847 CA ILE A 56 4.541 3.630 4.659 1.00 0.00 C ATOM 848 C ILE A 56 3.972 4.113 5.989 1.00 0.00 C ATOM 849 O ILE A 56 4.025 5.302 6.303 1.00 0.00 O ATOM 850 CB ILE A 56 3.406 3.561 3.622 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.954 3.127 2.261 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.706 4.907 3.512 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.878 2.745 1.269 1.00 0.00 C ATOM 0 H ILE A 56 5.010 1.676 4.060 1.00 0.00 H new ATOM 0 HA ILE A 56 5.296 4.336 4.312 1.00 0.00 H new ATOM 0 HB ILE A 56 2.678 2.820 3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.550 3.938 1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.624 2.279 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.906 4.842 2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.286 5.179 4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.424 5.666 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.340 2.448 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.296 1.913 1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.221 3.598 1.098 1.00 0.00 H new ATOM 865 N ARG A 57 3.428 3.182 6.766 1.00 0.00 N ATOM 866 CA ARG A 57 2.849 3.513 8.063 1.00 0.00 C ATOM 867 C ARG A 57 3.895 4.137 8.982 1.00 0.00 C ATOM 868 O ARG A 57 3.718 5.251 9.472 1.00 0.00 O ATOM 869 CB ARG A 57 2.261 2.261 8.717 1.00 0.00 C ATOM 870 CG ARG A 57 1.869 2.461 10.172 1.00 0.00 C ATOM 871 CD ARG A 57 0.491 3.092 10.295 1.00 0.00 C ATOM 872 NE ARG A 57 -0.578 2.114 10.112 1.00 0.00 N ATOM 873 CZ ARG A 57 -1.823 2.296 10.537 1.00 0.00 C ATOM 874 NH1 ARG A 57 -2.154 3.415 11.167 1.00 0.00 N ATOM 875 NH2 ARG A 57 -2.740 1.359 10.333 1.00 0.00 N ATOM 0 H ARG A 57 3.376 2.193 6.520 1.00 0.00 H new ATOM 0 HA ARG A 57 2.052 4.239 7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.383 1.945 8.153 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.989 1.452 8.653 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.878 1.501 10.688 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.606 3.095 10.665 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.392 3.558 11.275 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.388 3.884 9.554 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.356 1.242 9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.452 4.138 11.326 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.111 3.553 11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.489 0.497 9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.696 1.501 10.660 1.00 0.00 H new ATOM 889 N GLU A 58 4.983 3.409 9.212 1.00 0.00 N ATOM 890 CA GLU A 58 6.056 3.891 10.074 1.00 0.00 C ATOM 891 C GLU A 58 6.577 5.241 9.590 1.00 0.00 C ATOM 892 O GLU A 58 6.907 6.115 10.392 1.00 0.00 O ATOM 893 CB GLU A 58 7.200 2.876 10.117 1.00 0.00 C ATOM 894 CG GLU A 58 6.773 1.496 10.588 1.00 0.00 C ATOM 895 CD GLU A 58 7.793 0.424 10.257 1.00 0.00 C ATOM 896 OE1 GLU A 58 8.964 0.576 10.665 1.00 0.00 O ATOM 897 OE2 GLU A 58 7.422 -0.564 9.592 1.00 0.00 O ATOM 0 H GLU A 58 5.145 2.484 8.814 1.00 0.00 H new ATOM 0 HA GLU A 58 5.653 4.016 11.079 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.637 2.792 9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.982 3.250 10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.612 1.518 11.666 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.819 1.239 10.128 1.00 0.00 H new ATOM 904 N LYS A 59 6.649 5.404 8.274 1.00 0.00 N ATOM 905 CA LYS A 59 7.129 6.646 7.681 1.00 0.00 C ATOM 906 C LYS A 59 6.123 7.773 7.891 1.00 0.00 C ATOM 907 O LYS A 59 6.499 8.910 8.179 1.00 0.00 O ATOM 908 CB LYS A 59 7.391 6.454 6.186 1.00 0.00 C ATOM 909 CG LYS A 59 8.537 5.502 5.886 1.00 0.00 C ATOM 910 CD LYS A 59 8.548 5.085 4.425 1.00 0.00 C ATOM 911 CE LYS A 59 8.945 6.240 3.519 1.00 0.00 C ATOM 912 NZ LYS A 59 8.673 5.940 2.086 1.00 0.00 N ATOM 0 H LYS A 59 6.381 4.690 7.597 1.00 0.00 H new ATOM 0 HA LYS A 59 8.062 6.918 8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.484 6.078 5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.608 7.423 5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.484 5.981 6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.451 4.617 6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.244 4.257 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.560 4.722 4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.398 7.136 3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.005 6.456 3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.235 6.769 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.566 5.714 1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.028 5.127 2.018 1.00 0.00 H new ATOM 926 N LEU A 60 4.842 7.451 7.745 1.00 0.00 N ATOM 927 CA LEU A 60 3.781 8.437 7.920 1.00 0.00 C ATOM 928 C LEU A 60 3.815 9.030 9.325 1.00 0.00 C ATOM 929 O LEU A 60 3.938 10.243 9.495 1.00 0.00 O ATOM 930 CB LEU A 60 2.416 7.798 7.657 1.00 0.00 C ATOM 931 CG LEU A 60 1.340 8.724 7.089 1.00 0.00 C ATOM 932 CD1 LEU A 60 0.028 7.975 6.917 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.150 9.936 7.990 1.00 0.00 C ATOM 0 H LEU A 60 4.513 6.515 7.506 1.00 0.00 H new ATOM 0 HA LEU A 60 3.944 9.241 7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.553 6.967 6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.048 7.377 8.593 1.00 0.00 H new ATOM 0 HG LEU A 60 1.667 9.072 6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.726 8.650 6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.173 7.140 6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.305 7.598 7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.381 10.584 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.845 9.607 8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.088 10.486 8.062 1.00 0.00 H new ATOM 945 N SER A 61 3.706 8.166 10.329 1.00 0.00 N ATOM 946 CA SER A 61 3.723 8.604 11.720 1.00 0.00 C ATOM 947 C SER A 61 5.061 9.247 12.071 1.00 0.00 C ATOM 948 O SER A 61 5.111 10.266 12.761 1.00 0.00 O ATOM 949 CB SER A 61 3.452 7.422 12.653 1.00 0.00 C ATOM 950 OG SER A 61 2.904 7.860 13.884 1.00 0.00 O ATOM 0 H SER A 61 3.605 7.159 10.205 1.00 0.00 H new ATOM 0 HA SER A 61 2.937 9.348 11.850 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.765 6.725 12.173 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.379 6.879 12.837 1.00 0.00 H new ATOM 0 HG SER A 61 2.738 7.086 14.462 1.00 0.00 H new ATOM 956 N SER A 62 6.144 8.644 11.591 1.00 0.00 N ATOM 957 CA SER A 62 7.484 9.155 11.856 1.00 0.00 C ATOM 958 C SER A 62 7.629 10.588 11.352 1.00 0.00 C ATOM 959 O SER A 62 8.496 11.333 11.807 1.00 0.00 O ATOM 960 CB SER A 62 8.534 8.261 11.193 1.00 0.00 C ATOM 961 OG SER A 62 8.811 7.122 11.991 1.00 0.00 O ATOM 0 H SER A 62 6.120 7.801 11.017 1.00 0.00 H new ATOM 0 HA SER A 62 7.641 9.150 12.935 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.180 7.944 10.212 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.451 8.829 11.033 1.00 0.00 H new ATOM 0 HG SER A 62 8.240 6.378 11.708 1.00 0.00 H new ATOM 967 N GLY A 63 6.773 10.966 10.409 1.00 0.00 N ATOM 968 CA GLY A 63 6.821 12.308 9.858 1.00 0.00 C ATOM 969 C GLY A 63 7.728 12.405 8.647 1.00 0.00 C ATOM 970 O GLY A 63 8.409 13.411 8.453 1.00 0.00 O ATOM 0 H GLY A 63 6.047 10.367 10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.814 12.620 9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.169 13.000 10.625 1.00 0.00 H new ATOM 974 N GLN A 64 7.737 11.356 7.831 1.00 0.00 N ATOM 975 CA GLN A 64 8.568 11.327 6.633 1.00 0.00 C ATOM 976 C GLN A 64 7.913 12.103 5.496 1.00 0.00 C ATOM 977 O GLN A 64 8.596 12.679 4.649 1.00 0.00 O ATOM 978 CB GLN A 64 8.825 9.883 6.200 1.00 0.00 C ATOM 979 CG GLN A 64 9.601 9.069 7.223 1.00 0.00 C ATOM 980 CD GLN A 64 11.102 9.233 7.083 1.00 0.00 C ATOM 981 OE1 GLN A 64 11.611 10.352 7.013 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.818 8.116 7.042 1.00 0.00 N ATOM 0 H GLN A 64 7.178 10.515 7.977 1.00 0.00 H new ATOM 0 HA GLN A 64 9.520 11.802 6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.870 9.395 6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.375 9.887 5.259 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.299 9.370 8.226 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.343 8.016 7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.354 7.210 7.103 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.833 8.164 6.949 1.00 0.00 H new ATOM 991 N TYR A 65 6.584 12.113 5.482 1.00 0.00 N ATOM 992 CA TYR A 65 5.836 12.816 4.447 1.00 0.00 C ATOM 993 C TYR A 65 5.567 14.261 4.855 1.00 0.00 C ATOM 994 O TYR A 65 4.794 14.541 5.772 1.00 0.00 O ATOM 995 CB TYR A 65 4.514 12.099 4.168 1.00 0.00 C ATOM 996 CG TYR A 65 4.681 10.639 3.811 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.521 10.248 2.775 1.00 0.00 C ATOM 998 CD2 TYR A 65 3.999 9.650 4.509 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.676 8.916 2.445 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.149 8.315 4.187 1.00 0.00 C ATOM 1001 CZ TYR A 65 4.988 7.953 3.154 1.00 0.00 C ATOM 1002 OH TYR A 65 5.140 6.625 2.829 1.00 0.00 O ATOM 0 H TYR A 65 6.003 11.642 6.176 1.00 0.00 H new ATOM 0 HA TYR A 65 6.439 12.820 3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.874 12.179 5.047 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.000 12.607 3.352 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.062 10.999 2.218 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.340 9.930 5.318 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.332 8.630 1.636 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.612 7.559 4.741 1.00 0.00 H new ATOM 0 HH TYR A 65 5.918 6.519 2.242 1.00 0.00 H new ATOM 1012 N PRO A 66 6.220 15.203 4.158 1.00 0.00 N ATOM 1013 CA PRO A 66 6.067 16.636 4.428 1.00 0.00 C ATOM 1014 C PRO A 66 4.691 17.157 4.031 1.00 0.00 C ATOM 1015 O PRO A 66 4.217 18.158 4.568 1.00 0.00 O ATOM 1016 CB PRO A 66 7.153 17.278 3.561 1.00 0.00 C ATOM 1017 CG PRO A 66 7.380 16.304 2.457 1.00 0.00 C ATOM 1018 CD PRO A 66 7.157 14.942 3.053 1.00 0.00 C ATOM 0 HA PRO A 66 6.161 16.863 5.490 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.832 18.246 3.176 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.066 17.449 4.132 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.694 16.485 1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.390 16.395 2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.736 14.249 2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.088 14.503 3.411 1.00 0.00 H new ATOM 1026 N ASN A 67 4.053 16.472 3.088 1.00 0.00 N ATOM 1027 CA ASN A 67 2.730 16.867 2.619 1.00 0.00 C ATOM 1028 C ASN A 67 1.974 15.669 2.051 1.00 0.00 C ATOM 1029 O ASN A 67 2.469 14.541 2.074 1.00 0.00 O ATOM 1030 CB ASN A 67 2.848 17.960 1.555 1.00 0.00 C ATOM 1031 CG ASN A 67 4.132 17.853 0.756 1.00 0.00 C ATOM 1032 OD1 ASN A 67 4.288 16.750 0.033 1.00 0.00 O flip ATOM 1033 ND2 ASN A 67 4.973 18.751 0.788 1.00 0.00 N flip ATOM 0 H ASN A 67 4.431 15.641 2.634 1.00 0.00 H new ATOM 0 HA ASN A 67 2.172 17.257 3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.996 17.898 0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.803 18.937 2.035 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.811 19.581 1.358 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.832 18.665 0.245 1.00 0.00 H new ATOM 1040 N LEU A 68 0.773 15.921 1.542 1.00 0.00 N ATOM 1041 CA LEU A 68 -0.051 14.864 0.966 1.00 0.00 C ATOM 1042 C LEU A 68 0.606 14.277 -0.278 1.00 0.00 C ATOM 1043 O LEU A 68 0.713 13.059 -0.419 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.438 15.406 0.617 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.211 16.063 1.762 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.467 16.742 1.238 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.563 15.034 2.826 1.00 0.00 C ATOM 0 H LEU A 68 0.348 16.848 1.516 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.153 14.072 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.330 16.135 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.038 14.585 0.224 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.575 16.823 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.004 17.204 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.191 17.508 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.108 16.002 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.113 15.519 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.181 14.251 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.648 14.594 3.223 1.00 0.00 H new ATOM 1059 N GLU A 69 1.046 15.152 -1.178 1.00 0.00 N ATOM 1060 CA GLU A 69 1.695 14.719 -2.410 1.00 0.00 C ATOM 1061 C GLU A 69 2.575 13.497 -2.161 1.00 0.00 C ATOM 1062 O GLU A 69 2.321 12.415 -2.691 1.00 0.00 O ATOM 1063 CB GLU A 69 2.534 15.855 -2.997 1.00 0.00 C ATOM 1064 CG GLU A 69 2.948 15.623 -4.441 1.00 0.00 C ATOM 1065 CD GLU A 69 3.663 16.817 -5.042 1.00 0.00 C ATOM 1066 OE1 GLU A 69 4.486 17.434 -4.334 1.00 0.00 O ATOM 1067 OE2 GLU A 69 3.400 17.134 -6.221 1.00 0.00 O ATOM 0 H GLU A 69 0.965 16.164 -1.077 1.00 0.00 H new ATOM 0 HA GLU A 69 0.918 14.446 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.967 16.784 -2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.428 15.987 -2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.599 14.751 -4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.064 15.396 -5.037 1.00 0.00 H new ATOM 1074 N THR A 70 3.614 13.679 -1.350 1.00 0.00 N ATOM 1075 CA THR A 70 4.533 12.594 -1.032 1.00 0.00 C ATOM 1076 C THR A 70 3.779 11.346 -0.589 1.00 0.00 C ATOM 1077 O THR A 70 3.880 10.292 -1.218 1.00 0.00 O ATOM 1078 CB THR A 70 5.522 13.003 0.077 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.807 13.531 1.200 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.510 14.039 -0.435 1.00 0.00 C ATOM 0 H THR A 70 3.839 14.567 -0.902 1.00 0.00 H new ATOM 0 HA THR A 70 5.090 12.374 -1.943 1.00 0.00 H new ATOM 0 HB THR A 70 6.077 12.117 0.384 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.980 13.957 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.198 14.312 0.365 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.073 13.623 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.969 14.925 -0.767 1.00 0.00 H new ATOM 1088 N PHE A 71 3.022 11.471 0.495 1.00 0.00 N ATOM 1089 CA PHE A 71 2.250 10.351 1.022 1.00 0.00 C ATOM 1090 C PHE A 71 1.543 9.601 -0.103 1.00 0.00 C ATOM 1091 O PHE A 71 1.606 8.375 -0.181 1.00 0.00 O ATOM 1092 CB PHE A 71 1.224 10.848 2.043 1.00 0.00 C ATOM 1093 CG PHE A 71 0.243 9.793 2.468 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.569 8.884 3.462 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -1.006 9.710 1.874 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.331 7.912 3.856 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.911 8.740 2.264 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.573 7.840 3.255 1.00 0.00 C ATOM 0 H PHE A 71 2.926 12.336 1.026 1.00 0.00 H new ATOM 0 HA PHE A 71 2.940 9.665 1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.749 11.220 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.678 11.690 1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.539 8.936 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.276 10.411 1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.064 7.210 4.632 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.882 8.686 1.794 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.278 7.081 3.560 1.00 0.00 H new ATOM 1108 N ALA A 72 0.869 10.348 -0.972 1.00 0.00 N ATOM 1109 CA ALA A 72 0.151 9.755 -2.093 1.00 0.00 C ATOM 1110 C ALA A 72 1.107 9.031 -3.036 1.00 0.00 C ATOM 1111 O ALA A 72 0.874 7.881 -3.411 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.627 10.823 -2.846 1.00 0.00 C ATOM 0 H ALA A 72 0.806 11.365 -0.921 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.551 9.022 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.158 10.366 -3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.344 11.293 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.063 11.577 -3.225 1.00 0.00 H new ATOM 1118 N LEU A 73 2.183 9.711 -3.417 1.00 0.00 N ATOM 1119 CA LEU A 73 3.175 9.133 -4.317 1.00 0.00 C ATOM 1120 C LEU A 73 3.522 7.708 -3.901 1.00 0.00 C ATOM 1121 O LEU A 73 3.613 6.811 -4.740 1.00 0.00 O ATOM 1122 CB LEU A 73 4.439 9.994 -4.335 1.00 0.00 C ATOM 1123 CG LEU A 73 4.302 11.375 -4.977 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.536 12.219 -4.698 1.00 0.00 C ATOM 1125 CD2 LEU A 73 4.070 11.246 -6.475 1.00 0.00 C ATOM 0 H LEU A 73 2.391 10.663 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 73 2.748 9.105 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.780 10.125 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.220 9.446 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 73 3.439 11.874 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.420 13.198 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.658 12.340 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.416 11.724 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.975 12.239 -6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.913 10.726 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.156 10.680 -6.654 1.00 0.00 H new ATOM 1137 N ASP A 74 3.713 7.506 -2.602 1.00 0.00 N ATOM 1138 CA ASP A 74 4.047 6.188 -2.074 1.00 0.00 C ATOM 1139 C ASP A 74 2.881 5.220 -2.251 1.00 0.00 C ATOM 1140 O ASP A 74 3.044 4.127 -2.792 1.00 0.00 O ATOM 1141 CB ASP A 74 4.424 6.288 -0.595 1.00 0.00 C ATOM 1142 CG ASP A 74 5.635 7.170 -0.365 1.00 0.00 C ATOM 1143 OD1 ASP A 74 5.518 8.399 -0.550 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.701 6.630 0.000 1.00 0.00 O ATOM 0 H ASP A 74 3.642 8.238 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 74 4.901 5.805 -2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.578 6.684 -0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.626 5.290 -0.206 1.00 0.00 H new ATOM 1149 N VAL A 75 1.704 5.630 -1.789 1.00 0.00 N ATOM 1150 CA VAL A 75 0.510 4.799 -1.895 1.00 0.00 C ATOM 1151 C VAL A 75 0.291 4.333 -3.330 1.00 0.00 C ATOM 1152 O VAL A 75 0.352 3.138 -3.622 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.744 5.554 -1.415 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -1.976 4.669 -1.527 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.556 6.044 0.013 1.00 0.00 C ATOM 0 H VAL A 75 1.552 6.532 -1.338 1.00 0.00 H new ATOM 0 HA VAL A 75 0.670 3.932 -1.254 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.892 6.423 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.852 5.219 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.118 4.373 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.842 3.779 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.451 6.575 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.383 5.192 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.301 6.716 0.057 1.00 0.00 H new ATOM 1165 N ARG A 76 0.036 5.284 -4.223 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.193 4.971 -5.628 1.00 0.00 C ATOM 1167 C ARG A 76 0.866 4.003 -6.149 1.00 0.00 C ATOM 1168 O ARG A 76 0.576 3.131 -6.970 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.186 6.251 -6.466 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.339 7.190 -6.153 1.00 0.00 C ATOM 1171 CD ARG A 76 -1.019 8.620 -6.559 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.428 8.903 -7.932 1.00 0.00 N ATOM 1173 CZ ARG A 76 -0.683 8.617 -8.994 1.00 0.00 C ATOM 1174 NH1 ARG A 76 0.502 8.041 -8.842 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -1.124 8.905 -10.212 1.00 0.00 N ATOM 0 H ARG A 76 -0.017 6.277 -3.998 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.170 4.495 -5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.755 6.777 -6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.222 5.984 -7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.235 6.854 -6.675 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.559 7.154 -5.086 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.521 9.310 -5.881 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.052 8.795 -6.456 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.335 9.344 -8.084 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.844 7.816 -7.908 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.072 7.823 -9.660 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.036 9.346 -10.333 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.551 8.685 -11.027 1.00 0.00 H new ATOM 1189 N LEU A 77 2.094 4.163 -5.668 1.00 0.00 N ATOM 1190 CA LEU A 77 3.197 3.304 -6.085 1.00 0.00 C ATOM 1191 C LEU A 77 3.013 1.886 -5.555 1.00 0.00 C ATOM 1192 O LEU A 77 3.367 0.912 -6.221 1.00 0.00 O ATOM 1193 CB LEU A 77 4.528 3.876 -5.593 1.00 0.00 C ATOM 1194 CG LEU A 77 5.760 3.000 -5.823 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.229 3.107 -7.266 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.878 3.390 -4.867 1.00 0.00 C ATOM 0 H LEU A 77 2.351 4.879 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 77 3.205 3.267 -7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.692 4.835 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.443 4.075 -4.525 1.00 0.00 H new ATOM 0 HG LEU A 77 5.487 1.963 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.107 2.477 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.432 2.778 -7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.485 4.143 -7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.747 2.756 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.150 4.433 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.539 3.261 -3.839 1.00 0.00 H new ATOM 1208 N VAL A 78 2.454 1.776 -4.354 1.00 0.00 N ATOM 1209 CA VAL A 78 2.220 0.476 -3.736 1.00 0.00 C ATOM 1210 C VAL A 78 1.405 -0.429 -4.653 1.00 0.00 C ATOM 1211 O VAL A 78 1.759 -1.588 -4.873 1.00 0.00 O ATOM 1212 CB VAL A 78 1.485 0.619 -2.389 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.059 -0.744 -1.866 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.365 1.337 -1.377 1.00 0.00 C ATOM 0 H VAL A 78 2.155 2.571 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 78 3.198 0.027 -3.562 1.00 0.00 H new ATOM 0 HB VAL A 78 0.588 1.218 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.542 -0.623 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.390 -1.217 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.940 -1.370 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.831 1.430 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.281 0.767 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.615 2.330 -1.751 1.00 0.00 H new ATOM 1224 N PHE A 79 0.312 0.106 -5.185 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.554 -0.654 -6.079 1.00 0.00 C ATOM 1226 C PHE A 79 0.073 -0.783 -7.464 1.00 0.00 C ATOM 1227 O PHE A 79 -0.194 -1.740 -8.191 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.925 0.018 -6.188 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.524 0.375 -4.858 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.725 -0.596 -3.890 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -2.886 1.683 -4.576 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -3.278 -0.269 -2.666 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.439 2.015 -3.353 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.634 1.038 -2.397 1.00 0.00 C ATOM 0 H PHE A 79 0.004 1.063 -5.013 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.678 -1.653 -5.661 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.831 0.922 -6.790 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.606 -0.648 -6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.447 -1.619 -4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.734 2.451 -5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.432 -1.035 -1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.718 3.037 -3.146 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.064 1.295 -1.440 1.00 0.00 H new ATOM 1244 N ASP A 80 0.906 0.188 -7.823 1.00 0.00 N ATOM 1245 CA ASP A 80 1.572 0.183 -9.120 1.00 0.00 C ATOM 1246 C ASP A 80 2.490 -1.028 -9.256 1.00 0.00 C ATOM 1247 O ASP A 80 2.280 -1.884 -10.113 1.00 0.00 O ATOM 1248 CB ASP A 80 2.376 1.471 -9.309 1.00 0.00 C ATOM 1249 CG ASP A 80 3.131 1.495 -10.623 1.00 0.00 C ATOM 1250 OD1 ASP A 80 2.539 1.114 -11.654 1.00 0.00 O ATOM 1251 OD2 ASP A 80 4.315 1.893 -10.620 1.00 0.00 O ATOM 0 H ASP A 80 1.136 0.988 -7.234 1.00 0.00 H new ATOM 0 HA ASP A 80 0.806 0.124 -9.893 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.702 2.326 -9.265 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.082 1.579 -8.486 1.00 0.00 H new ATOM 1256 N ASN A 81 3.508 -1.091 -8.404 1.00 0.00 N ATOM 1257 CA ASN A 81 4.459 -2.196 -8.430 1.00 0.00 C ATOM 1258 C ASN A 81 3.738 -3.531 -8.590 1.00 0.00 C ATOM 1259 O ASN A 81 4.101 -4.347 -9.437 1.00 0.00 O ATOM 1260 CB ASN A 81 5.297 -2.206 -7.150 1.00 0.00 C ATOM 1261 CG ASN A 81 5.944 -0.864 -6.872 1.00 0.00 C ATOM 1262 OD1 ASN A 81 6.138 -0.056 -7.780 1.00 0.00 O ATOM 1263 ND2 ASN A 81 6.282 -0.620 -5.611 1.00 0.00 N ATOM 0 H ASN A 81 3.695 -0.390 -7.687 1.00 0.00 H new ATOM 0 HA ASN A 81 5.118 -2.055 -9.286 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.664 -2.483 -6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.071 -2.969 -7.232 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.721 0.267 -5.363 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.102 -1.319 -4.890 1.00 0.00 H new ATOM 1270 N CYS A 82 2.714 -3.745 -7.771 1.00 0.00 N ATOM 1271 CA CYS A 82 1.941 -4.981 -7.821 1.00 0.00 C ATOM 1272 C CYS A 82 1.483 -5.279 -9.245 1.00 0.00 C ATOM 1273 O CYS A 82 1.742 -6.358 -9.777 1.00 0.00 O ATOM 1274 CB CYS A 82 0.729 -4.887 -6.893 1.00 0.00 C ATOM 1275 SG CYS A 82 -0.602 -6.042 -7.297 1.00 0.00 S ATOM 0 H CYS A 82 2.400 -3.079 -7.065 1.00 0.00 H new ATOM 0 HA CYS A 82 2.584 -5.796 -7.487 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.054 -5.068 -5.869 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.336 -3.871 -6.928 1.00 0.00 H new ATOM 0 HG CYS A 82 -1.581 -5.888 -6.455 1.00 0.00 H new ATOM 1281 N GLU A 83 0.801 -4.316 -9.856 1.00 0.00 N ATOM 1282 CA GLU A 83 0.305 -4.477 -11.218 1.00 0.00 C ATOM 1283 C GLU A 83 1.432 -4.885 -12.162 1.00 0.00 C ATOM 1284 O GLU A 83 1.197 -5.519 -13.192 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.340 -3.178 -11.707 1.00 0.00 C ATOM 1286 CG GLU A 83 -0.771 -3.223 -13.163 1.00 0.00 C ATOM 1287 CD GLU A 83 -1.690 -4.391 -13.464 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -2.765 -4.477 -12.833 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -1.335 -5.219 -14.328 1.00 0.00 O ATOM 0 H GLU A 83 0.579 -3.416 -9.430 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.446 -5.267 -11.213 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.209 -2.957 -11.086 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.365 -2.358 -11.571 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.278 -2.292 -13.417 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.113 -3.288 -13.798 1.00 0.00 H new ATOM 1296 N THR A 84 2.658 -4.515 -11.805 1.00 0.00 N ATOM 1297 CA THR A 84 3.822 -4.840 -12.620 1.00 0.00 C ATOM 1298 C THR A 84 4.332 -6.244 -12.316 1.00 0.00 C ATOM 1299 O THR A 84 4.353 -7.111 -13.190 1.00 0.00 O ATOM 1300 CB THR A 84 4.965 -3.832 -12.395 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.560 -2.528 -12.827 1.00 0.00 O ATOM 1302 CG2 THR A 84 6.217 -4.255 -13.149 1.00 0.00 C ATOM 0 H THR A 84 2.870 -3.990 -10.957 1.00 0.00 H new ATOM 0 HA THR A 84 3.502 -4.790 -13.661 1.00 0.00 H new ATOM 0 HB THR A 84 5.193 -3.807 -11.329 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.291 -1.893 -12.679 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.010 -3.528 -12.975 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.540 -5.235 -12.798 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.000 -4.306 -14.216 1.00 0.00 H new ATOM 1310 N PHE A 85 4.741 -6.463 -11.071 1.00 0.00 N ATOM 1311 CA PHE A 85 5.251 -7.764 -10.651 1.00 0.00 C ATOM 1312 C PHE A 85 4.167 -8.833 -10.756 1.00 0.00 C ATOM 1313 O PHE A 85 4.358 -9.863 -11.400 1.00 0.00 O ATOM 1314 CB PHE A 85 5.775 -7.691 -9.215 1.00 0.00 C ATOM 1315 CG PHE A 85 6.643 -8.855 -8.834 1.00 0.00 C ATOM 1316 CD1 PHE A 85 7.914 -8.994 -9.369 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.189 -9.812 -7.941 1.00 0.00 C ATOM 1318 CE1 PHE A 85 8.715 -10.064 -9.020 1.00 0.00 C ATOM 1319 CE2 PHE A 85 6.986 -10.884 -7.588 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.250 -11.011 -8.129 1.00 0.00 C ATOM 0 H PHE A 85 4.729 -5.757 -10.335 1.00 0.00 H new ATOM 0 HA PHE A 85 6.071 -8.037 -11.316 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.342 -6.769 -9.090 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.929 -7.640 -8.530 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.283 -8.257 -10.067 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.201 -9.719 -7.516 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.704 -10.160 -9.444 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.621 -11.622 -6.889 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.874 -11.849 -7.856 1.00 0.00 H new ATOM 1330 N ASN A 86 3.030 -8.578 -10.117 1.00 0.00 N ATOM 1331 CA ASN A 86 1.915 -9.518 -10.137 1.00 0.00 C ATOM 1332 C ASN A 86 1.095 -9.363 -11.414 1.00 0.00 C ATOM 1333 O ASN A 86 1.269 -8.401 -12.162 1.00 0.00 O ATOM 1334 CB ASN A 86 1.020 -9.306 -8.914 1.00 0.00 C ATOM 1335 CG ASN A 86 1.744 -9.589 -7.612 1.00 0.00 C ATOM 1336 OD1 ASN A 86 1.797 -10.731 -7.154 1.00 0.00 O ATOM 1337 ND2 ASN A 86 2.305 -8.548 -7.009 1.00 0.00 N ATOM 0 H ASN A 86 2.856 -7.729 -9.579 1.00 0.00 H new ATOM 0 HA ASN A 86 2.324 -10.528 -10.109 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.655 -8.279 -8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.147 -9.954 -8.989 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.805 -8.677 -6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.236 -7.619 -7.425 1.00 0.00 H new ATOM 1383 N SER A 90 -3.199 -13.472 -11.241 1.00 0.00 N ATOM 1384 CA SER A 90 -2.765 -13.914 -9.920 1.00 0.00 C ATOM 1385 C SER A 90 -3.579 -13.232 -8.825 1.00 0.00 C ATOM 1386 O SER A 90 -4.077 -12.121 -9.006 1.00 0.00 O ATOM 1387 CB SER A 90 -1.277 -13.619 -9.724 1.00 0.00 C ATOM 1388 OG SER A 90 -1.069 -12.268 -9.351 1.00 0.00 O ATOM 0 HA SER A 90 -2.927 -14.990 -9.852 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.871 -14.278 -8.957 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.736 -13.832 -10.646 1.00 0.00 H new ATOM 0 HG SER A 90 -0.110 -12.106 -9.230 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.709 -13.906 -7.687 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.461 -13.367 -6.561 1.00 0.00 C ATOM 1396 C ASP A 91 -4.078 -11.914 -6.297 1.00 0.00 C ATOM 1397 O ASP A 91 -4.902 -11.009 -6.438 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.216 -14.207 -5.307 1.00 0.00 C ATOM 1399 CG ASP A 91 -4.626 -15.655 -5.491 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -5.611 -15.905 -6.216 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -3.962 -16.539 -4.909 1.00 0.00 O ATOM 0 H ASP A 91 -3.303 -14.827 -7.521 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.521 -13.405 -6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.159 -14.162 -5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.771 -13.779 -4.472 1.00 0.00 H new ATOM 1406 N ILE A 92 -2.824 -11.698 -5.914 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.332 -10.355 -5.632 1.00 0.00 C ATOM 1408 C ILE A 92 -2.735 -9.380 -6.732 1.00 0.00 C ATOM 1409 O ILE A 92 -3.304 -8.323 -6.462 1.00 0.00 O ATOM 1410 CB ILE A 92 -0.800 -10.337 -5.480 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.387 -11.010 -4.169 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.279 -8.909 -5.536 1.00 0.00 C ATOM 1413 CD1 ILE A 92 1.088 -10.877 -3.860 1.00 0.00 C ATOM 0 H ILE A 92 -2.130 -12.436 -5.792 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.785 -10.044 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.361 -10.896 -6.307 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.962 -10.577 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.646 -12.068 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.806 -8.913 -5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.546 -8.462 -6.493 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.723 -8.328 -4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.309 -11.377 -2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.670 -11.336 -4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.349 -9.822 -3.781 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.436 -9.742 -7.976 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.775 -8.889 -9.100 1.00 0.00 C ATOM 1427 C GLY A 93 -4.160 -8.286 -8.972 1.00 0.00 C ATOM 1428 O GLY A 93 -4.309 -7.066 -8.900 1.00 0.00 O ATOM 0 H GLY A 93 -1.965 -10.612 -8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.039 -8.089 -9.180 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.718 -9.468 -10.022 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.176 -9.142 -8.946 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.556 -8.686 -8.830 1.00 0.00 C ATOM 1434 C ARG A 94 -6.711 -7.713 -7.664 1.00 0.00 C ATOM 1435 O ARG A 94 -7.320 -6.653 -7.804 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.495 -9.879 -8.641 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.414 -10.902 -9.762 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.363 -12.066 -9.524 1.00 0.00 C ATOM 1439 NE ARG A 94 -8.534 -12.886 -10.720 1.00 0.00 N ATOM 1440 CZ ARG A 94 -9.393 -13.896 -10.802 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -10.156 -14.207 -9.763 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -9.491 -14.595 -11.925 1.00 0.00 N ATOM 0 H ARG A 94 -5.070 -10.155 -9.004 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.820 -8.167 -9.751 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.260 -10.369 -7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.520 -9.515 -8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.655 -10.423 -10.711 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.393 -11.274 -9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.981 -12.685 -8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.333 -11.684 -9.205 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.963 -12.672 -11.537 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.084 -13.670 -8.899 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.815 -14.983 -9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.907 -14.357 -12.726 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.151 -15.370 -11.987 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.156 -8.082 -6.515 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.231 -7.242 -5.326 1.00 0.00 C ATOM 1458 C ALA A 95 -5.855 -5.800 -5.648 1.00 0.00 C ATOM 1459 O ALA A 95 -6.498 -4.861 -5.180 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.327 -7.793 -4.232 1.00 0.00 C ATOM 0 H ALA A 95 -5.649 -8.957 -6.382 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.261 -7.251 -4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.393 -7.156 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.643 -8.804 -3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.297 -7.815 -4.588 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.808 -5.631 -6.450 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.365 -4.300 -6.820 1.00 0.00 C ATOM 1468 C GLY A 96 -5.460 -3.486 -7.480 1.00 0.00 C ATOM 1469 O GLY A 96 -5.584 -2.285 -7.237 1.00 0.00 O ATOM 0 H GLY A 96 -4.259 -6.392 -6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.014 -3.777 -5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.516 -4.379 -7.499 1.00 0.00 H new ATOM 1473 N HIS A 97 -6.257 -4.140 -8.320 1.00 0.00 N ATOM 1474 CA HIS A 97 -7.347 -3.469 -9.019 1.00 0.00 C ATOM 1475 C HIS A 97 -8.404 -2.980 -8.033 1.00 0.00 C ATOM 1476 O HIS A 97 -8.827 -1.826 -8.083 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.983 -4.412 -10.041 1.00 0.00 C ATOM 1478 CG HIS A 97 -7.133 -4.645 -11.251 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -6.777 -3.639 -12.126 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -6.565 -5.776 -11.730 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -6.029 -4.143 -13.091 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -5.885 -5.438 -12.874 1.00 0.00 N ATOM 0 H HIS A 97 -6.168 -5.134 -8.533 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.935 -2.605 -9.541 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.188 -5.369 -9.561 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.942 -4.001 -10.355 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.634 -6.761 -11.294 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.607 -3.590 -13.917 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.355 -6.082 -13.461 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.827 -3.867 -7.138 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.836 -3.526 -6.142 1.00 0.00 C ATOM 1492 C ASN A 98 -9.383 -2.343 -5.291 1.00 0.00 C ATOM 1493 O ASN A 98 -10.111 -1.365 -5.132 1.00 0.00 O ATOM 1494 CB ASN A 98 -10.126 -4.732 -5.246 1.00 0.00 C ATOM 1495 CG ASN A 98 -11.160 -5.664 -5.848 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.970 -5.256 -6.681 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.136 -6.923 -5.428 1.00 0.00 N ATOM 0 H ASN A 98 -8.487 -4.827 -7.082 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.749 -3.244 -6.667 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.202 -5.283 -5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.477 -4.384 -4.275 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.807 -7.597 -5.797 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.447 -7.217 -4.736 1.00 0.00 H new ATOM 1504 N MET A 99 -8.174 -2.442 -4.748 1.00 0.00 N ATOM 1505 CA MET A 99 -7.622 -1.380 -3.915 1.00 0.00 C ATOM 1506 C MET A 99 -7.534 -0.070 -4.692 1.00 0.00 C ATOM 1507 O MET A 99 -8.188 0.914 -4.344 1.00 0.00 O ATOM 1508 CB MET A 99 -6.237 -1.774 -3.398 1.00 0.00 C ATOM 1509 CG MET A 99 -6.250 -3.000 -2.499 1.00 0.00 C ATOM 1510 SD MET A 99 -7.448 -2.864 -1.158 1.00 0.00 S ATOM 1511 CE MET A 99 -7.010 -1.268 -0.473 1.00 0.00 C ATOM 0 H MET A 99 -7.558 -3.246 -4.870 1.00 0.00 H new ATOM 0 HA MET A 99 -8.290 -1.235 -3.066 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.581 -1.964 -4.248 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.811 -0.935 -2.848 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.478 -3.882 -3.097 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.255 -3.148 -2.079 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.299 -1.231 0.577 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.934 -1.118 -0.559 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.531 -0.482 -1.020 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.722 -0.065 -5.744 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.548 1.125 -6.568 1.00 0.00 C ATOM 1523 C ARG A 100 -7.865 1.880 -6.719 1.00 0.00 C ATOM 1524 O ARG A 100 -7.926 3.092 -6.510 1.00 0.00 O ATOM 1525 CB ARG A 100 -6.007 0.741 -7.947 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.559 1.932 -8.779 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.537 1.598 -10.262 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.422 0.722 -10.610 1.00 0.00 N ATOM 1529 CZ ARG A 100 -4.408 -0.058 -11.685 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -5.444 -0.070 -12.513 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -3.357 -0.828 -11.934 1.00 0.00 N ATOM 0 H ARG A 100 -6.175 -0.871 -6.046 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.830 1.778 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.166 0.060 -7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.779 0.197 -8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.230 2.773 -8.604 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.565 2.246 -8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.475 1.118 -10.539 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.468 2.520 -10.840 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.609 0.708 -9.994 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.254 0.521 -12.325 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.431 -0.670 -13.338 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.558 -0.822 -11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.348 -1.427 -12.760 1.00 0.00 H new ATOM 1545 N LYS A 101 -8.917 1.156 -7.084 1.00 0.00 N ATOM 1546 CA LYS A 101 -10.235 1.755 -7.262 1.00 0.00 C ATOM 1547 C LYS A 101 -10.706 2.426 -5.976 1.00 0.00 C ATOM 1548 O LYS A 101 -11.265 3.523 -6.006 1.00 0.00 O ATOM 1549 CB LYS A 101 -11.247 0.692 -7.696 1.00 0.00 C ATOM 1550 CG LYS A 101 -11.191 0.368 -9.179 1.00 0.00 C ATOM 1551 CD LYS A 101 -12.162 -0.742 -9.544 1.00 0.00 C ATOM 1552 CE LYS A 101 -11.598 -2.112 -9.200 1.00 0.00 C ATOM 1553 NZ LYS A 101 -12.669 -3.140 -9.086 1.00 0.00 N ATOM 0 H LYS A 101 -8.883 0.152 -7.263 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.159 2.514 -8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.070 -0.220 -7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.251 1.034 -7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.425 1.262 -9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.178 0.070 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.103 -0.592 -9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.384 -0.696 -10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.885 -2.414 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.049 -2.053 -8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.452 -3.781 -8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.582 -2.673 -8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.722 -3.685 -9.970 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.476 1.762 -4.849 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.878 2.294 -3.553 1.00 0.00 C ATOM 1569 C TYR A 102 -10.070 3.540 -3.201 1.00 0.00 C ATOM 1570 O TYR A 102 -10.630 4.603 -2.935 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.700 1.234 -2.465 1.00 0.00 C ATOM 1572 CG TYR A 102 -10.987 1.742 -1.071 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -12.031 2.628 -0.835 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -10.214 1.338 0.011 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -12.297 3.096 0.438 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -10.474 1.799 1.287 1.00 0.00 C ATOM 1577 CZ TYR A 102 -11.516 2.678 1.495 1.00 0.00 C ATOM 1578 OH TYR A 102 -11.777 3.142 2.764 1.00 0.00 O ATOM 0 H TYR A 102 -10.013 0.854 -4.807 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.931 2.570 -3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.359 0.392 -2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.678 0.856 -2.502 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -12.645 2.957 -1.660 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.396 0.652 -0.149 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -13.112 3.785 0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.865 1.473 2.117 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.739 3.302 2.863 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.748 3.399 -3.202 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.861 4.512 -2.883 1.00 0.00 C ATOM 1590 C PHE A 103 -8.369 5.809 -3.506 1.00 0.00 C ATOM 1591 O PHE A 103 -8.365 6.860 -2.866 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.442 4.218 -3.375 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.491 5.365 -3.181 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.223 5.853 -1.913 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.866 5.954 -4.268 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.348 6.907 -1.731 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -3.990 7.009 -4.092 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.731 7.486 -2.822 1.00 0.00 C ATOM 0 H PHE A 103 -8.268 2.526 -3.420 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.845 4.632 -1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.057 3.344 -2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.479 3.962 -4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.704 5.404 -1.056 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -5.065 5.585 -5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.147 7.277 -0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.508 7.460 -4.947 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.047 8.310 -2.683 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.806 5.725 -4.759 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.316 6.892 -5.469 1.00 0.00 C ATOM 1610 C GLU A 104 -10.667 7.325 -4.906 1.00 0.00 C ATOM 1611 O GLU A 104 -10.791 8.397 -4.313 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.447 6.591 -6.963 1.00 0.00 C ATOM 1613 CG GLU A 104 -8.139 6.179 -7.618 1.00 0.00 C ATOM 1614 CD GLU A 104 -8.350 5.400 -8.902 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -8.990 5.942 -9.827 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -7.875 4.248 -8.981 1.00 0.00 O ATOM 0 H GLU A 104 -8.817 4.862 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.606 7.708 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.179 5.796 -7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.835 7.474 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.547 7.069 -7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.563 5.572 -6.920 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.677 6.482 -5.095 1.00 0.00 N ATOM 1624 CA LYS A 105 -13.019 6.775 -4.606 1.00 0.00 C ATOM 1625 C LYS A 105 -12.982 7.217 -3.147 1.00 0.00 C ATOM 1626 O LYS A 105 -13.900 7.883 -2.666 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.917 5.544 -4.755 1.00 0.00 C ATOM 1628 CG LYS A 105 -14.549 5.415 -6.130 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.534 6.541 -6.399 1.00 0.00 C ATOM 1630 CE LYS A 105 -16.431 6.224 -7.585 1.00 0.00 C ATOM 1631 NZ LYS A 105 -17.706 6.994 -7.538 1.00 0.00 N ATOM 0 H LYS A 105 -11.591 5.591 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.427 7.590 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.330 4.649 -4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.706 5.587 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.770 5.423 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.061 4.456 -6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.146 6.710 -5.513 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.989 7.465 -6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.903 6.452 -8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.652 5.157 -7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.290 6.750 -8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -18.222 6.758 -6.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.497 8.013 -7.551 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.916 6.845 -2.447 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.758 7.206 -1.043 1.00 0.00 C ATOM 1647 C LYS A 106 -10.995 8.519 -0.902 1.00 0.00 C ATOM 1648 O LYS A 106 -11.363 9.378 -0.101 1.00 0.00 O ATOM 1649 CB LYS A 106 -11.025 6.094 -0.289 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.846 6.379 1.192 1.00 0.00 C ATOM 1651 CD LYS A 106 -12.171 6.323 1.934 1.00 0.00 C ATOM 1652 CE LYS A 106 -12.067 6.966 3.309 1.00 0.00 C ATOM 1653 NZ LYS A 106 -11.490 6.031 4.315 1.00 0.00 N ATOM 0 H LYS A 106 -11.148 6.293 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.751 7.335 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.577 5.162 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.045 5.944 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.156 5.653 1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.396 7.363 1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.938 6.832 1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.487 5.285 2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.447 7.860 3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.056 7.287 3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.059 6.063 5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.496 5.064 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.512 6.312 4.530 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.932 8.667 -1.684 1.00 0.00 N ATOM 1668 CA TRP A 107 -9.118 9.876 -1.646 1.00 0.00 C ATOM 1669 C TRP A 107 -9.908 11.080 -2.147 1.00 0.00 C ATOM 1670 O TRP A 107 -10.009 12.099 -1.462 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.855 9.693 -2.490 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.955 10.891 -2.480 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -7.055 11.998 -3.273 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.816 11.100 -1.637 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -6.047 12.883 -2.973 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.274 12.356 -1.973 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.203 10.349 -0.630 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -4.149 12.875 -1.338 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -4.086 10.866 -0.001 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.569 12.119 -0.356 1.00 0.00 C ATOM 0 H TRP A 107 -9.614 7.965 -2.352 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.831 10.058 -0.610 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.302 8.829 -2.121 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.142 9.472 -3.518 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.814 12.155 -4.025 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.899 13.786 -3.423 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.595 9.383 -0.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.748 13.840 -1.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.603 10.294 0.778 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.696 12.495 0.156 1.00 0.00 H new ATOM 1691 N THR A 108 -10.469 10.958 -3.346 1.00 0.00 N ATOM 1692 CA THR A 108 -11.250 12.037 -3.938 1.00 0.00 C ATOM 1693 C THR A 108 -12.303 12.552 -2.964 1.00 0.00 C ATOM 1694 O THR A 108 -12.531 13.758 -2.861 1.00 0.00 O ATOM 1695 CB THR A 108 -11.946 11.580 -5.234 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.461 12.715 -5.939 1.00 0.00 O ATOM 1697 CG2 THR A 108 -13.077 10.610 -4.929 1.00 0.00 C ATOM 0 H THR A 108 -10.397 10.122 -3.926 1.00 0.00 H new ATOM 0 HA THR A 108 -10.552 12.841 -4.172 1.00 0.00 H new ATOM 0 HB THR A 108 -11.210 11.070 -5.855 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.901 12.417 -6.762 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.553 10.302 -5.860 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.677 9.734 -4.418 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.813 11.098 -4.290 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.943 11.632 -2.250 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.971 11.994 -1.282 1.00 0.00 C ATOM 1707 C ASP A 109 -13.357 12.685 -0.069 1.00 0.00 C ATOM 1708 O ASP A 109 -13.880 13.688 0.419 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.745 10.751 -0.839 1.00 0.00 C ATOM 1710 CG ASP A 109 -16.130 11.084 -0.322 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -17.046 11.262 -1.152 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.299 11.169 0.913 1.00 0.00 O ATOM 0 H ASP A 109 -12.768 10.630 -2.324 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.659 12.689 -1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.830 10.061 -1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.184 10.236 -0.059 1.00 0.00 H new ATOM 1717 N THR A 110 -12.244 12.142 0.414 1.00 0.00 N ATOM 1718 CA THR A 110 -11.559 12.705 1.571 1.00 0.00 C ATOM 1719 C THR A 110 -11.336 14.204 1.403 1.00 0.00 C ATOM 1720 O THR A 110 -11.765 15.003 2.236 1.00 0.00 O ATOM 1721 CB THR A 110 -10.201 12.019 1.809 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.399 10.636 2.122 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.443 12.697 2.941 1.00 0.00 C ATOM 0 H THR A 110 -11.798 11.313 0.022 1.00 0.00 H new ATOM 0 HA THR A 110 -12.202 12.531 2.434 1.00 0.00 H new ATOM 0 HB THR A 110 -9.611 12.104 0.896 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.640 10.147 1.307 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.487 12.195 3.091 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.268 13.742 2.687 1.00 0.00 H new ATOM 0 HG23 THR A 110 -10.030 12.640 3.858 1.00 0.00 H new