USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 386 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 Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.0219 X(o=-0.022,f=0.0046) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00238 USER MOD Single : A 27 GLN : amide:sc=-0.00694 K(o=-0.0069,f=-0.94) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0523 X(o=-0.052,f=-0.0043) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= 0.569 (180deg=0.217) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0168) USER MOD Single : A 41 ASN : amide:sc=-0.00329 X(o=-0.0033,f=0) USER MOD Single : A 57 ASN : amide:sc= -1.89! X(o=-1.9!,f=-2.2) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 -0.920 -8.408 -2.415 1.00 0.00 N ATOM 89 CA ALA A 9 -1.174 -7.144 -3.096 1.00 0.00 C ATOM 90 C ALA A 9 -1.754 -6.111 -2.136 1.00 0.00 C ATOM 91 O ALA A 9 -2.568 -6.439 -1.273 1.00 0.00 O ATOM 92 CB ALA A 9 -2.114 -7.358 -4.273 1.00 0.00 C ATOM 0 HA ALA A 9 -0.223 -6.763 -3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.295 -6.406 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.662 -8.057 -4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.059 -7.765 -3.914 1.00 0.00 H new ATOM 98 N ALA A 10 -1.328 -4.861 -2.291 1.00 0.00 N ATOM 99 CA ALA A 10 -1.806 -3.780 -1.439 1.00 0.00 C ATOM 100 C ALA A 10 -2.269 -2.588 -2.271 1.00 0.00 C ATOM 101 O ALA A 10 -1.583 -2.167 -3.203 1.00 0.00 O ATOM 102 CB ALA A 10 -0.718 -3.355 -0.464 1.00 0.00 C ATOM 0 H ALA A 10 -0.653 -4.573 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.662 -4.149 -0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.089 -2.547 0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.438 -4.203 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.154 -3.010 -1.020 1.00 0.00 H new ATOM 108 N ARG A 11 -3.434 -2.050 -1.928 1.00 0.00 N ATOM 109 CA ARG A 11 -3.989 -0.908 -2.645 1.00 0.00 C ATOM 110 C ARG A 11 -3.673 0.396 -1.918 1.00 0.00 C ATOM 111 O ARG A 11 -3.910 0.522 -0.716 1.00 0.00 O ATOM 112 CB ARG A 11 -5.502 -1.063 -2.802 1.00 0.00 C ATOM 113 CG ARG A 11 -6.152 0.064 -3.588 1.00 0.00 C ATOM 114 CD ARG A 11 -7.663 0.067 -3.413 1.00 0.00 C ATOM 115 NE ARG A 11 -8.236 1.393 -3.625 1.00 0.00 N ATOM 116 CZ ARG A 11 -9.447 1.745 -3.209 1.00 0.00 C ATOM 117 NH1 ARG A 11 -10.209 0.874 -2.562 1.00 0.00 N ATOM 118 NH2 ARG A 11 -9.899 2.971 -3.439 1.00 0.00 N ATOM 0 H ARG A 11 -4.012 -2.386 -1.158 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.530 -0.874 -3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.712 -2.010 -3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.958 -1.115 -1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.745 1.020 -3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.907 -0.040 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.110 -0.637 -4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.912 -0.280 -2.410 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.676 2.087 -4.120 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.865 -0.069 -2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.139 1.147 -2.244 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.316 3.645 -3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.829 3.240 -3.119 1.00 0.00 H new ATOM 132 N LEU A 12 -3.137 1.363 -2.654 1.00 0.00 N ATOM 133 CA LEU A 12 -2.788 2.658 -2.080 1.00 0.00 C ATOM 134 C LEU A 12 -4.023 3.354 -1.516 1.00 0.00 C ATOM 135 O LEU A 12 -5.007 3.568 -2.225 1.00 0.00 O ATOM 136 CB LEU A 12 -2.127 3.545 -3.137 1.00 0.00 C ATOM 137 CG LEU A 12 -0.616 3.380 -3.301 1.00 0.00 C ATOM 138 CD1 LEU A 12 0.107 3.780 -2.024 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.274 1.947 -3.682 1.00 0.00 C ATOM 0 H LEU A 12 -2.934 1.275 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.085 2.489 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.601 3.345 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.334 4.586 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.284 4.038 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.181 3.656 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.111 4.823 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.230 3.148 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.806 1.848 -3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.621 1.270 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.761 1.695 -4.624 1.00 0.00 H new ATOM 151 N LYS A 13 -3.964 3.707 -0.237 1.00 0.00 N ATOM 152 CA LYS A 13 -5.075 4.383 0.423 1.00 0.00 C ATOM 153 C LYS A 13 -5.475 5.642 -0.338 1.00 0.00 C ATOM 154 O LYS A 13 -6.655 5.986 -0.413 1.00 0.00 O ATOM 155 CB LYS A 13 -4.698 4.742 1.862 1.00 0.00 C ATOM 156 CG LYS A 13 -4.431 3.532 2.741 1.00 0.00 C ATOM 157 CD LYS A 13 -4.685 3.841 4.207 1.00 0.00 C ATOM 158 CE LYS A 13 -6.172 3.843 4.528 1.00 0.00 C ATOM 159 NZ LYS A 13 -6.425 3.701 5.988 1.00 0.00 N ATOM 0 H LYS A 13 -3.158 3.536 0.364 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.926 3.702 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.810 5.374 1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.502 5.331 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.068 2.705 2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.399 3.207 2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.179 3.102 4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.257 4.813 4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.619 4.771 4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.660 3.027 3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.450 3.707 6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.021 2.804 6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.982 4.493 6.496 1.00 0.00 H new ATOM 173 N PHE A 14 -4.486 6.327 -0.903 1.00 0.00 N ATOM 174 CA PHE A 14 -4.735 7.548 -1.659 1.00 0.00 C ATOM 175 C PHE A 14 -3.553 7.878 -2.565 1.00 0.00 C ATOM 176 O PHE A 14 -2.517 7.215 -2.518 1.00 0.00 O ATOM 177 CB PHE A 14 -5.005 8.716 -0.708 1.00 0.00 C ATOM 178 CG PHE A 14 -6.123 8.454 0.261 1.00 0.00 C ATOM 179 CD1 PHE A 14 -5.876 7.823 1.470 1.00 0.00 C ATOM 180 CD2 PHE A 14 -7.420 8.838 -0.037 1.00 0.00 C ATOM 181 CE1 PHE A 14 -6.902 7.581 2.363 1.00 0.00 C ATOM 182 CE2 PHE A 14 -8.450 8.599 0.853 1.00 0.00 C ATOM 183 CZ PHE A 14 -8.191 7.969 2.054 1.00 0.00 C ATOM 0 H PHE A 14 -3.504 6.056 -0.851 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.614 7.386 -2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.095 8.937 -0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.243 9.604 -1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.870 7.517 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.629 9.330 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.696 7.089 3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.457 8.905 0.609 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.995 7.780 2.750 1.00 0.00 H new ATOM 193 N ASP A 15 -3.716 8.907 -3.389 1.00 0.00 N ATOM 194 CA ASP A 15 -2.663 9.327 -4.306 1.00 0.00 C ATOM 195 C ASP A 15 -1.432 9.801 -3.540 1.00 0.00 C ATOM 196 O ASP A 15 -1.470 10.823 -2.855 1.00 0.00 O ATOM 197 CB ASP A 15 -3.169 10.442 -5.222 1.00 0.00 C ATOM 198 CG ASP A 15 -4.082 11.414 -4.501 1.00 0.00 C ATOM 199 OD1 ASP A 15 -3.602 12.107 -3.579 1.00 0.00 O ATOM 200 OD2 ASP A 15 -5.276 11.483 -4.859 1.00 0.00 O ATOM 0 H ASP A 15 -4.568 9.466 -3.441 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.382 8.467 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.318 10.985 -5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.704 10.002 -6.064 1.00 0.00 H new ATOM 205 N PHE A 16 -0.341 9.050 -3.659 1.00 0.00 N ATOM 206 CA PHE A 16 0.901 9.393 -2.976 1.00 0.00 C ATOM 207 C PHE A 16 1.841 10.154 -3.906 1.00 0.00 C ATOM 208 O PHE A 16 1.929 9.854 -5.096 1.00 0.00 O ATOM 209 CB PHE A 16 1.589 8.127 -2.460 1.00 0.00 C ATOM 210 CG PHE A 16 2.966 8.374 -1.914 1.00 0.00 C ATOM 211 CD1 PHE A 16 3.139 9.011 -0.696 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.088 7.970 -2.620 1.00 0.00 C ATOM 213 CE1 PHE A 16 4.406 9.240 -0.192 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.357 8.196 -2.121 1.00 0.00 C ATOM 215 CZ PHE A 16 5.516 8.831 -0.905 1.00 0.00 C ATOM 0 H PHE A 16 -0.292 8.201 -4.222 1.00 0.00 H new ATOM 0 HA PHE A 16 0.657 10.036 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.972 7.680 -1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.653 7.401 -3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.275 9.332 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.969 7.473 -3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.528 9.738 0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.223 7.876 -2.681 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.506 9.007 -0.512 1.00 0.00 H new ATOM 225 N GLN A 17 2.541 11.139 -3.353 1.00 0.00 N ATOM 226 CA GLN A 17 3.474 11.944 -4.133 1.00 0.00 C ATOM 227 C GLN A 17 4.884 11.849 -3.561 1.00 0.00 C ATOM 228 O GLN A 17 5.165 12.376 -2.485 1.00 0.00 O ATOM 229 CB GLN A 17 3.019 13.404 -4.162 1.00 0.00 C ATOM 230 CG GLN A 17 1.641 13.601 -4.771 1.00 0.00 C ATOM 231 CD GLN A 17 0.937 14.833 -4.237 1.00 0.00 C ATOM 232 OE1 GLN A 17 0.108 14.745 -3.331 1.00 0.00 O ATOM 233 NE2 GLN A 17 1.264 15.991 -4.797 1.00 0.00 N ATOM 0 H GLN A 17 2.480 11.399 -2.369 1.00 0.00 H new ATOM 0 HA GLN A 17 3.488 11.555 -5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.016 13.795 -3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.744 13.990 -4.727 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.735 13.682 -5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.030 12.722 -4.569 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.957 16.018 -5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.823 16.854 -4.479 1.00 0.00 H new ATOM 242 N ALA A 18 5.768 11.173 -4.288 1.00 0.00 N ATOM 243 CA ALA A 18 7.150 11.010 -3.854 1.00 0.00 C ATOM 244 C ALA A 18 7.946 12.293 -4.065 1.00 0.00 C ATOM 245 O ALA A 18 8.074 12.776 -5.190 1.00 0.00 O ATOM 246 CB ALA A 18 7.803 9.853 -4.595 1.00 0.00 C ATOM 0 H ALA A 18 5.551 10.729 -5.181 1.00 0.00 H new ATOM 0 HA ALA A 18 7.146 10.787 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.835 9.743 -4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.255 8.934 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.788 10.052 -5.667 1.00 0.00 H new ATOM 252 N GLN A 19 8.478 12.841 -2.977 1.00 0.00 N ATOM 253 CA GLN A 19 9.260 14.069 -3.045 1.00 0.00 C ATOM 254 C GLN A 19 10.715 13.769 -3.390 1.00 0.00 C ATOM 255 O GLN A 19 11.377 14.555 -4.068 1.00 0.00 O ATOM 256 CB GLN A 19 9.184 14.821 -1.715 1.00 0.00 C ATOM 257 CG GLN A 19 9.997 16.105 -1.694 1.00 0.00 C ATOM 258 CD GLN A 19 9.474 17.142 -2.669 1.00 0.00 C ATOM 259 OE1 GLN A 19 10.041 17.343 -3.743 1.00 0.00 O ATOM 260 NE2 GLN A 19 8.387 17.808 -2.298 1.00 0.00 N ATOM 0 H GLN A 19 8.381 12.454 -2.038 1.00 0.00 H new ATOM 0 HA GLN A 19 8.840 14.694 -3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.142 15.057 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.534 14.166 -0.917 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.986 16.521 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.036 15.877 -1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.949 17.609 -1.398 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.990 18.519 -2.913 1.00 0.00 H new ATOM 269 N SER A 20 11.207 12.627 -2.920 1.00 0.00 N ATOM 270 CA SER A 20 12.585 12.226 -3.176 1.00 0.00 C ATOM 271 C SER A 20 12.667 11.308 -4.392 1.00 0.00 C ATOM 272 O SER A 20 11.689 10.675 -4.790 1.00 0.00 O ATOM 273 CB SER A 20 13.169 11.520 -1.950 1.00 0.00 C ATOM 274 OG SER A 20 13.703 12.455 -1.029 1.00 0.00 O ATOM 0 H SER A 20 10.672 11.963 -2.360 1.00 0.00 H new ATOM 0 HA SER A 20 13.167 13.125 -3.381 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.394 10.928 -1.464 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.950 10.827 -2.263 1.00 0.00 H new ATOM 0 HG SER A 20 14.068 11.979 -0.254 1.00 0.00 H new ATOM 280 N PRO A 21 13.862 11.234 -4.997 1.00 0.00 N ATOM 281 CA PRO A 21 14.101 10.397 -6.176 1.00 0.00 C ATOM 282 C PRO A 21 14.066 8.909 -5.847 1.00 0.00 C ATOM 283 O PRO A 21 13.755 8.080 -6.704 1.00 0.00 O ATOM 284 CB PRO A 21 15.504 10.812 -6.627 1.00 0.00 C ATOM 285 CG PRO A 21 16.162 11.325 -5.392 1.00 0.00 C ATOM 286 CD PRO A 21 15.071 11.961 -4.576 1.00 0.00 C ATOM 0 HA PRO A 21 13.334 10.538 -6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.051 9.967 -7.046 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.461 11.579 -7.400 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.641 10.516 -4.840 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.940 12.049 -5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.253 11.852 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.989 13.029 -4.778 1.00 0.00 H new ATOM 294 N LYS A 22 14.386 8.575 -4.602 1.00 0.00 N ATOM 295 CA LYS A 22 14.389 7.186 -4.158 1.00 0.00 C ATOM 296 C LYS A 22 12.965 6.664 -3.993 1.00 0.00 C ATOM 297 O LYS A 22 12.669 5.523 -4.346 1.00 0.00 O ATOM 298 CB LYS A 22 15.148 7.053 -2.836 1.00 0.00 C ATOM 299 CG LYS A 22 14.525 7.838 -1.695 1.00 0.00 C ATOM 300 CD LYS A 22 15.555 8.198 -0.637 1.00 0.00 C ATOM 301 CE LYS A 22 15.658 7.119 0.430 1.00 0.00 C ATOM 302 NZ LYS A 22 16.590 7.508 1.524 1.00 0.00 N ATOM 0 H LYS A 22 14.647 9.248 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 22 14.890 6.589 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.195 6.000 -2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.174 7.391 -2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.069 8.748 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.727 7.251 -1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.528 8.340 -1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.285 9.146 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.670 6.925 0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.000 6.190 -0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.633 6.746 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.539 7.669 1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.250 8.381 1.976 1.00 0.00 H new ATOM 316 N GLU A 23 12.088 7.508 -3.458 1.00 0.00 N ATOM 317 CA GLU A 23 10.696 7.130 -3.248 1.00 0.00 C ATOM 318 C GLU A 23 10.012 6.812 -4.575 1.00 0.00 C ATOM 319 O GLU A 23 10.607 6.959 -5.644 1.00 0.00 O ATOM 320 CB GLU A 23 9.943 8.251 -2.529 1.00 0.00 C ATOM 321 CG GLU A 23 10.170 8.272 -1.027 1.00 0.00 C ATOM 322 CD GLU A 23 9.556 9.488 -0.361 1.00 0.00 C ATOM 323 OE1 GLU A 23 10.021 10.614 -0.636 1.00 0.00 O ATOM 324 OE2 GLU A 23 8.610 9.313 0.436 1.00 0.00 O ATOM 0 H GLU A 23 12.317 8.457 -3.163 1.00 0.00 H new ATOM 0 HA GLU A 23 10.679 6.234 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.250 9.210 -2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.876 8.144 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.747 7.369 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.241 8.254 -0.825 1.00 0.00 H new ATOM 331 N LEU A 24 8.760 6.375 -4.499 1.00 0.00 N ATOM 332 CA LEU A 24 7.994 6.036 -5.693 1.00 0.00 C ATOM 333 C LEU A 24 6.663 6.780 -5.716 1.00 0.00 C ATOM 334 O LEU A 24 5.994 6.910 -4.691 1.00 0.00 O ATOM 335 CB LEU A 24 7.749 4.527 -5.754 1.00 0.00 C ATOM 336 CG LEU A 24 8.814 3.703 -6.479 1.00 0.00 C ATOM 337 CD1 LEU A 24 8.570 2.216 -6.274 1.00 0.00 C ATOM 338 CD2 LEU A 24 8.833 4.043 -7.962 1.00 0.00 C ATOM 0 H LEU A 24 8.254 6.247 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 24 8.574 6.340 -6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.660 4.152 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.790 4.354 -6.242 1.00 0.00 H new ATOM 0 HG LEU A 24 9.788 3.952 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.338 1.646 -6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.608 1.984 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.589 1.951 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.597 3.447 -8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.858 3.824 -8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.058 5.102 -8.090 1.00 0.00 H new ATOM 350 N THR A 25 6.282 7.266 -6.894 1.00 0.00 N ATOM 351 CA THR A 25 5.031 7.996 -7.051 1.00 0.00 C ATOM 352 C THR A 25 3.907 7.069 -7.501 1.00 0.00 C ATOM 353 O THR A 25 4.006 6.414 -8.539 1.00 0.00 O ATOM 354 CB THR A 25 5.174 9.143 -8.069 1.00 0.00 C ATOM 355 OG1 THR A 25 6.297 9.963 -7.729 1.00 0.00 O ATOM 356 CG2 THR A 25 3.912 9.992 -8.108 1.00 0.00 C ATOM 0 H THR A 25 6.823 7.167 -7.753 1.00 0.00 H new ATOM 0 HA THR A 25 4.784 8.415 -6.075 1.00 0.00 H new ATOM 0 HB THR A 25 5.330 8.707 -9.056 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.382 10.689 -8.382 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.036 10.796 -8.834 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.064 9.371 -8.396 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.730 10.419 -7.122 1.00 0.00 H new ATOM 364 N LEU A 26 2.838 7.019 -6.714 1.00 0.00 N ATOM 365 CA LEU A 26 1.693 6.173 -7.032 1.00 0.00 C ATOM 366 C LEU A 26 0.387 6.949 -6.895 1.00 0.00 C ATOM 367 O LEU A 26 0.296 7.894 -6.112 1.00 0.00 O ATOM 368 CB LEU A 26 1.670 4.947 -6.117 1.00 0.00 C ATOM 369 CG LEU A 26 3.012 4.247 -5.899 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.011 3.492 -4.579 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.317 3.306 -7.055 1.00 0.00 C ATOM 0 H LEU A 26 2.740 7.554 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 26 1.792 5.845 -8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.279 5.251 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.968 4.223 -6.531 1.00 0.00 H new ATOM 0 HG LEU A 26 3.794 5.005 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.974 3.000 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.839 4.191 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.219 2.743 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.276 2.817 -6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.533 2.552 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.361 3.874 -7.984 1.00 0.00 H new ATOM 383 N GLN A 27 -0.621 6.541 -7.659 1.00 0.00 N ATOM 384 CA GLN A 27 -1.922 7.197 -7.621 1.00 0.00 C ATOM 385 C GLN A 27 -2.926 6.371 -6.823 1.00 0.00 C ATOM 386 O GLN A 27 -2.797 5.151 -6.717 1.00 0.00 O ATOM 387 CB GLN A 27 -2.445 7.424 -9.040 1.00 0.00 C ATOM 388 CG GLN A 27 -3.918 7.795 -9.095 1.00 0.00 C ATOM 389 CD GLN A 27 -4.282 8.558 -10.353 1.00 0.00 C ATOM 390 OE1 GLN A 27 -3.507 8.607 -11.309 1.00 0.00 O ATOM 391 NE2 GLN A 27 -5.467 9.158 -10.361 1.00 0.00 N ATOM 0 H GLN A 27 -0.561 5.759 -8.312 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.799 8.161 -7.128 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.862 8.216 -9.511 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.285 6.519 -9.626 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.519 6.888 -9.038 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.169 8.399 -8.223 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.078 9.091 -9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.766 9.685 -11.181 1.00 0.00 H new ATOM 400 N LYS A 28 -3.926 7.043 -6.263 1.00 0.00 N ATOM 401 CA LYS A 28 -4.953 6.372 -5.475 1.00 0.00 C ATOM 402 C LYS A 28 -5.573 5.220 -6.258 1.00 0.00 C ATOM 403 O LYS A 28 -6.173 5.425 -7.312 1.00 0.00 O ATOM 404 CB LYS A 28 -6.040 7.367 -5.063 1.00 0.00 C ATOM 405 CG LYS A 28 -7.201 6.727 -4.321 1.00 0.00 C ATOM 406 CD LYS A 28 -8.218 7.765 -3.877 1.00 0.00 C ATOM 407 CE LYS A 28 -9.498 7.112 -3.377 1.00 0.00 C ATOM 408 NZ LYS A 28 -10.395 8.092 -2.705 1.00 0.00 N ATOM 0 H LYS A 28 -4.047 8.053 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.482 5.967 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.596 8.136 -4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.420 7.866 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.686 5.993 -4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.826 6.188 -3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.790 8.381 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.448 8.430 -4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.023 6.654 -4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.249 6.311 -2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.256 7.608 -2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.903 8.511 -1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.654 8.843 -3.376 1.00 0.00 H new ATOM 422 N GLY A 29 -5.425 4.007 -5.734 1.00 0.00 N ATOM 423 CA GLY A 29 -5.978 2.840 -6.397 1.00 0.00 C ATOM 424 C GLY A 29 -4.962 2.137 -7.276 1.00 0.00 C ATOM 425 O GLY A 29 -5.222 1.878 -8.451 1.00 0.00 O ATOM 0 H GLY A 29 -4.932 3.812 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.350 2.142 -5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.832 3.141 -7.004 1.00 0.00 H new ATOM 429 N ASP A 30 -3.802 1.829 -6.706 1.00 0.00 N ATOM 430 CA ASP A 30 -2.743 1.152 -7.446 1.00 0.00 C ATOM 431 C ASP A 30 -2.281 -0.101 -6.710 1.00 0.00 C ATOM 432 O ASP A 30 -2.440 -0.213 -5.494 1.00 0.00 O ATOM 433 CB ASP A 30 -1.559 2.097 -7.662 1.00 0.00 C ATOM 434 CG ASP A 30 -1.713 2.940 -8.913 1.00 0.00 C ATOM 435 OD1 ASP A 30 -2.048 2.373 -9.974 1.00 0.00 O ATOM 436 OD2 ASP A 30 -1.499 4.167 -8.830 1.00 0.00 O ATOM 0 H ASP A 30 -3.571 2.037 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.143 0.855 -8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.457 2.752 -6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.640 1.514 -7.731 1.00 0.00 H new ATOM 441 N ILE A 31 -1.711 -1.042 -7.454 1.00 0.00 N ATOM 442 CA ILE A 31 -1.227 -2.288 -6.872 1.00 0.00 C ATOM 443 C ILE A 31 0.291 -2.391 -6.980 1.00 0.00 C ATOM 444 O ILE A 31 0.855 -2.295 -8.070 1.00 0.00 O ATOM 445 CB ILE A 31 -1.863 -3.513 -7.553 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.388 -3.447 -7.449 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.340 -4.798 -6.930 1.00 0.00 C ATOM 448 CD1 ILE A 31 -3.894 -3.367 -6.025 1.00 0.00 C ATOM 0 H ILE A 31 -1.573 -0.966 -8.462 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.515 -2.278 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.588 -3.506 -8.608 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.744 -2.578 -8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.815 -4.327 -7.929 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.800 -5.655 -7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.258 -4.847 -7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.587 -4.815 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.983 -3.323 -6.028 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.568 -4.248 -5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.496 -2.472 -5.547 1.00 0.00 H new ATOM 460 N VAL A 32 0.948 -2.590 -5.841 1.00 0.00 N ATOM 461 CA VAL A 32 2.400 -2.710 -5.807 1.00 0.00 C ATOM 462 C VAL A 32 2.830 -3.977 -5.075 1.00 0.00 C ATOM 463 O VAL A 32 2.129 -4.460 -4.186 1.00 0.00 O ATOM 464 CB VAL A 32 3.049 -1.491 -5.125 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.648 -0.206 -5.835 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.666 -1.439 -3.654 1.00 0.00 C ATOM 0 H VAL A 32 0.497 -2.671 -4.930 1.00 0.00 H new ATOM 0 HA VAL A 32 2.737 -2.760 -6.842 1.00 0.00 H new ATOM 0 HB VAL A 32 4.132 -1.592 -5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.116 0.645 -5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.976 -0.246 -6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.564 -0.095 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.133 -0.572 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.583 -1.361 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.008 -2.347 -3.157 1.00 0.00 H new ATOM 476 N TYR A 33 3.986 -4.509 -5.455 1.00 0.00 N ATOM 477 CA TYR A 33 4.509 -5.721 -4.836 1.00 0.00 C ATOM 478 C TYR A 33 5.669 -5.397 -3.898 1.00 0.00 C ATOM 479 O TYR A 33 6.628 -4.730 -4.287 1.00 0.00 O ATOM 480 CB TYR A 33 4.968 -6.710 -5.909 1.00 0.00 C ATOM 481 CG TYR A 33 3.955 -6.920 -7.011 1.00 0.00 C ATOM 482 CD1 TYR A 33 2.635 -7.239 -6.717 1.00 0.00 C ATOM 483 CD2 TYR A 33 4.317 -6.799 -8.347 1.00 0.00 C ATOM 484 CE1 TYR A 33 1.706 -7.433 -7.721 1.00 0.00 C ATOM 485 CE2 TYR A 33 3.394 -6.989 -9.357 1.00 0.00 C ATOM 486 CZ TYR A 33 2.090 -7.306 -9.039 1.00 0.00 C ATOM 487 OH TYR A 33 1.168 -7.498 -10.043 1.00 0.00 O ATOM 0 H TYR A 33 4.579 -4.120 -6.188 1.00 0.00 H new ATOM 0 HA TYR A 33 3.708 -6.174 -4.252 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.900 -6.352 -6.347 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.185 -7.669 -5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.330 -7.337 -5.686 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.337 -6.552 -8.600 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.685 -7.683 -7.475 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.692 -6.890 -10.390 1.00 0.00 H new ATOM 0 HH TYR A 33 1.601 -7.370 -10.913 1.00 0.00 H new ATOM 497 N ILE A 34 5.572 -5.875 -2.662 1.00 0.00 N ATOM 498 CA ILE A 34 6.613 -5.639 -1.669 1.00 0.00 C ATOM 499 C ILE A 34 7.638 -6.768 -1.667 1.00 0.00 C ATOM 500 O ILE A 34 7.310 -7.918 -1.373 1.00 0.00 O ATOM 501 CB ILE A 34 6.019 -5.497 -0.255 1.00 0.00 C ATOM 502 CG1 ILE A 34 5.042 -4.321 -0.203 1.00 0.00 C ATOM 503 CG2 ILE A 34 7.130 -5.315 0.770 1.00 0.00 C ATOM 504 CD1 ILE A 34 3.647 -4.673 -0.670 1.00 0.00 C ATOM 0 H ILE A 34 4.784 -6.428 -2.324 1.00 0.00 H new ATOM 0 HA ILE A 34 7.105 -4.706 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 34 5.473 -6.409 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.990 -3.947 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.429 -3.510 -0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.695 -5.216 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.791 -6.181 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.701 -4.417 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.009 -3.792 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.686 -5.019 -1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.240 -5.462 -0.038 1.00 0.00 H new ATOM 516 N HIS A 35 8.881 -6.431 -1.997 1.00 0.00 N ATOM 517 CA HIS A 35 9.956 -7.417 -2.031 1.00 0.00 C ATOM 518 C HIS A 35 10.491 -7.686 -0.627 1.00 0.00 C ATOM 519 O HIS A 35 10.478 -8.823 -0.154 1.00 0.00 O ATOM 520 CB HIS A 35 11.089 -6.935 -2.937 1.00 0.00 C ATOM 521 CG HIS A 35 12.001 -8.033 -3.391 1.00 0.00 C ATOM 522 ND1 HIS A 35 13.333 -7.832 -3.684 1.00 0.00 N ATOM 523 CD2 HIS A 35 11.765 -9.349 -3.601 1.00 0.00 C ATOM 524 CE1 HIS A 35 13.877 -8.977 -4.056 1.00 0.00 C ATOM 525 NE2 HIS A 35 12.947 -9.914 -4.014 1.00 0.00 N ATOM 0 H HIS A 35 9.169 -5.484 -2.244 1.00 0.00 H new ATOM 0 HA HIS A 35 9.551 -8.347 -2.431 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.661 -6.445 -3.811 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.674 -6.184 -2.405 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.823 -9.860 -3.469 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.907 -9.122 -4.345 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.084 -10.897 -4.250 1.00 0.00 H new ATOM 533 N LYS A 36 10.961 -6.634 0.034 1.00 0.00 N ATOM 534 CA LYS A 36 11.500 -6.756 1.383 1.00 0.00 C ATOM 535 C LYS A 36 11.106 -5.555 2.237 1.00 0.00 C ATOM 536 O LYS A 36 10.651 -4.536 1.718 1.00 0.00 O ATOM 537 CB LYS A 36 13.024 -6.884 1.336 1.00 0.00 C ATOM 538 CG LYS A 36 13.739 -5.561 1.119 1.00 0.00 C ATOM 539 CD LYS A 36 15.214 -5.659 1.473 1.00 0.00 C ATOM 540 CE LYS A 36 15.771 -4.316 1.920 1.00 0.00 C ATOM 541 NZ LYS A 36 15.356 -3.979 3.309 1.00 0.00 N ATOM 0 H LYS A 36 10.980 -5.686 -0.343 1.00 0.00 H new ATOM 0 HA LYS A 36 11.080 -7.654 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.372 -7.327 2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.298 -7.571 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.633 -5.256 0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.269 -4.788 1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.351 -6.393 2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.774 -6.017 0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.859 -4.336 1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.429 -3.536 1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.500 -2.963 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.351 -4.212 3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.927 -4.526 3.984 1.00 0.00 H new ATOM 555 N GLU A 37 11.286 -5.682 3.548 1.00 0.00 N ATOM 556 CA GLU A 37 10.949 -4.606 4.472 1.00 0.00 C ATOM 557 C GLU A 37 12.139 -3.672 4.677 1.00 0.00 C ATOM 558 O GLU A 37 13.242 -4.115 4.999 1.00 0.00 O ATOM 559 CB GLU A 37 10.500 -5.180 5.817 1.00 0.00 C ATOM 560 CG GLU A 37 9.774 -4.176 6.696 1.00 0.00 C ATOM 561 CD GLU A 37 9.472 -4.722 8.078 1.00 0.00 C ATOM 562 OE1 GLU A 37 8.605 -5.614 8.188 1.00 0.00 O ATOM 563 OE2 GLU A 37 10.103 -4.256 9.050 1.00 0.00 O ATOM 0 H GLU A 37 11.663 -6.519 3.994 1.00 0.00 H new ATOM 0 HA GLU A 37 10.130 -4.033 4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.846 -6.033 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.373 -5.554 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.381 -3.275 6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.842 -3.883 6.213 1.00 0.00 H new ATOM 570 N VAL A 38 11.907 -2.377 4.487 1.00 0.00 N ATOM 571 CA VAL A 38 12.958 -1.380 4.651 1.00 0.00 C ATOM 572 C VAL A 38 13.017 -0.875 6.088 1.00 0.00 C ATOM 573 O VAL A 38 13.986 -1.124 6.805 1.00 0.00 O ATOM 574 CB VAL A 38 12.749 -0.182 3.705 1.00 0.00 C ATOM 575 CG1 VAL A 38 13.868 0.834 3.874 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.658 -0.653 2.262 1.00 0.00 C ATOM 0 H VAL A 38 11.000 -1.994 4.219 1.00 0.00 H new ATOM 0 HA VAL A 38 13.900 -1.869 4.402 1.00 0.00 H new ATOM 0 HB VAL A 38 11.808 0.304 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.703 1.673 3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.880 1.194 4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 38 14.824 0.364 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.510 0.206 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.581 -1.164 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.818 -1.339 2.155 1.00 0.00 H new ATOM 586 N ASP A 39 11.975 -0.164 6.502 1.00 0.00 N ATOM 587 CA ASP A 39 11.906 0.376 7.855 1.00 0.00 C ATOM 588 C ASP A 39 10.562 0.055 8.501 1.00 0.00 C ATOM 589 O ASP A 39 9.661 -0.478 7.853 1.00 0.00 O ATOM 590 CB ASP A 39 12.128 1.889 7.836 1.00 0.00 C ATOM 591 CG ASP A 39 12.772 2.396 9.111 1.00 0.00 C ATOM 592 OD1 ASP A 39 13.902 1.964 9.418 1.00 0.00 O ATOM 593 OD2 ASP A 39 12.144 3.226 9.803 1.00 0.00 O ATOM 0 H ASP A 39 11.166 0.052 5.920 1.00 0.00 H new ATOM 0 HA ASP A 39 12.694 -0.091 8.446 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.758 2.150 6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.172 2.392 7.691 1.00 0.00 H new ATOM 598 N LYS A 40 10.434 0.381 9.783 1.00 0.00 N ATOM 599 CA LYS A 40 9.201 0.128 10.518 1.00 0.00 C ATOM 600 C LYS A 40 8.009 0.775 9.820 1.00 0.00 C ATOM 601 O LYS A 40 6.903 0.237 9.833 1.00 0.00 O ATOM 602 CB LYS A 40 9.317 0.659 11.949 1.00 0.00 C ATOM 603 CG LYS A 40 8.130 0.305 12.828 1.00 0.00 C ATOM 604 CD LYS A 40 8.456 0.480 14.301 1.00 0.00 C ATOM 605 CE LYS A 40 7.195 0.665 15.132 1.00 0.00 C ATOM 606 NZ LYS A 40 6.641 2.041 15.000 1.00 0.00 N ATOM 0 H LYS A 40 11.170 0.821 10.335 1.00 0.00 H new ATOM 0 HA LYS A 40 9.041 -0.950 10.549 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.225 0.262 12.402 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.424 1.743 11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.280 0.935 12.565 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.832 -0.726 12.640 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.005 -0.391 14.659 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.108 1.343 14.430 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.444 -0.060 14.819 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.417 0.462 16.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.844 2.159 15.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.381 2.736 15.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.311 2.190 14.025 1.00 0.00 H new ATOM 620 N ASN A 41 8.243 1.932 9.209 1.00 0.00 N ATOM 621 CA ASN A 41 7.188 2.652 8.504 1.00 0.00 C ATOM 622 C ASN A 41 7.513 2.775 7.019 1.00 0.00 C ATOM 623 O ASN A 41 6.885 3.551 6.298 1.00 0.00 O ATOM 624 CB ASN A 41 6.997 4.043 9.113 1.00 0.00 C ATOM 625 CG ASN A 41 5.993 4.044 10.249 1.00 0.00 C ATOM 626 OD1 ASN A 41 4.939 4.674 10.161 1.00 0.00 O ATOM 627 ND2 ASN A 41 6.316 3.335 11.325 1.00 0.00 N ATOM 0 H ASN A 41 9.154 2.391 9.188 1.00 0.00 H new ATOM 0 HA ASN A 41 6.262 2.086 8.610 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.956 4.411 9.479 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.665 4.734 8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.679 3.298 12.121 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.200 2.828 11.355 1.00 0.00 H new ATOM 634 N TRP A 42 8.495 2.003 6.568 1.00 0.00 N ATOM 635 CA TRP A 42 8.902 2.025 5.167 1.00 0.00 C ATOM 636 C TRP A 42 8.980 0.611 4.601 1.00 0.00 C ATOM 637 O TRP A 42 9.257 -0.345 5.327 1.00 0.00 O ATOM 638 CB TRP A 42 10.256 2.722 5.019 1.00 0.00 C ATOM 639 CG TRP A 42 10.196 4.196 5.282 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.547 4.838 6.435 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.758 5.211 4.372 1.00 0.00 C ATOM 642 NE1 TRP A 42 10.354 6.192 6.297 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.870 6.446 5.041 1.00 0.00 C ATOM 644 CE3 TRP A 42 9.283 5.198 3.058 1.00 0.00 C ATOM 645 CZ2 TRP A 42 9.524 7.653 4.438 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.939 6.396 2.462 1.00 0.00 C ATOM 647 CH2 TRP A 42 9.062 7.610 3.151 1.00 0.00 C ATOM 0 H TRP A 42 9.024 1.354 7.151 1.00 0.00 H new ATOM 0 HA TRP A 42 8.152 2.581 4.605 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.969 2.266 5.706 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.634 2.555 4.011 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.921 4.353 7.325 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.541 6.894 7.013 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.186 4.268 2.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.617 8.590 4.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.569 6.397 1.447 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.787 8.530 2.656 1.00 0.00 H new ATOM 658 N LEU A 43 8.734 0.485 3.302 1.00 0.00 N ATOM 659 CA LEU A 43 8.777 -0.813 2.638 1.00 0.00 C ATOM 660 C LEU A 43 9.348 -0.686 1.229 1.00 0.00 C ATOM 661 O LEU A 43 9.254 0.370 0.605 1.00 0.00 O ATOM 662 CB LEU A 43 7.376 -1.424 2.579 1.00 0.00 C ATOM 663 CG LEU A 43 6.585 -1.417 3.888 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.107 -1.652 3.619 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.129 -2.468 4.845 1.00 0.00 C ATOM 0 H LEU A 43 8.503 1.266 2.688 1.00 0.00 H new ATOM 0 HA LEU A 43 9.429 -1.468 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.799 -0.887 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.465 -2.455 2.237 1.00 0.00 H new ATOM 0 HG LEU A 43 6.697 -0.438 4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.560 -1.644 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.725 -0.863 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.975 -2.618 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.554 -2.449 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.047 -3.454 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.176 -2.255 5.063 1.00 0.00 H new ATOM 677 N GLU A 44 9.937 -1.770 0.735 1.00 0.00 N ATOM 678 CA GLU A 44 10.522 -1.779 -0.601 1.00 0.00 C ATOM 679 C GLU A 44 9.571 -2.422 -1.607 1.00 0.00 C ATOM 680 O GLU A 44 8.837 -3.352 -1.276 1.00 0.00 O ATOM 681 CB GLU A 44 11.856 -2.528 -0.593 1.00 0.00 C ATOM 682 CG GLU A 44 12.744 -2.204 -1.783 1.00 0.00 C ATOM 683 CD GLU A 44 14.217 -2.398 -1.482 1.00 0.00 C ATOM 684 OE1 GLU A 44 14.562 -3.403 -0.827 1.00 0.00 O ATOM 685 OE2 GLU A 44 15.025 -1.543 -1.902 1.00 0.00 O ATOM 0 H GLU A 44 10.022 -2.653 1.239 1.00 0.00 H new ATOM 0 HA GLU A 44 10.696 -0.745 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.392 -2.288 0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.661 -3.600 -0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.463 -2.837 -2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.572 -1.172 -2.089 1.00 0.00 H new ATOM 692 N GLY A 45 9.591 -1.918 -2.837 1.00 0.00 N ATOM 693 CA GLY A 45 8.727 -2.454 -3.872 1.00 0.00 C ATOM 694 C GLY A 45 9.201 -2.095 -5.267 1.00 0.00 C ATOM 695 O GLY A 45 9.812 -1.047 -5.470 1.00 0.00 O ATOM 0 H GLY A 45 10.190 -1.148 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.680 -3.539 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.715 -2.077 -3.727 1.00 0.00 H new ATOM 699 N GLU A 46 8.921 -2.969 -6.229 1.00 0.00 N ATOM 700 CA GLU A 46 9.326 -2.739 -7.610 1.00 0.00 C ATOM 701 C GLU A 46 8.112 -2.703 -8.534 1.00 0.00 C ATOM 702 O GLU A 46 7.209 -3.533 -8.424 1.00 0.00 O ATOM 703 CB GLU A 46 10.297 -3.828 -8.069 1.00 0.00 C ATOM 704 CG GLU A 46 9.642 -5.186 -8.261 1.00 0.00 C ATOM 705 CD GLU A 46 10.604 -6.335 -8.028 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.015 -6.540 -6.867 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.944 -7.030 -9.009 1.00 0.00 O ATOM 0 H GLU A 46 8.416 -3.842 -6.077 1.00 0.00 H new ATOM 0 HA GLU A 46 9.827 -1.772 -7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.758 -3.520 -9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.098 -3.921 -7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.799 -5.279 -7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.241 -5.252 -9.272 1.00 0.00 H new ATOM 798 N GLY A 52 11.582 1.538 -6.441 1.00 0.00 N ATOM 799 CA GLY A 52 12.078 2.290 -5.304 1.00 0.00 C ATOM 800 C GLY A 52 11.438 1.858 -3.999 1.00 0.00 C ATOM 801 O GLY A 52 11.214 0.669 -3.774 1.00 0.00 O ATOM 0 HA2 GLY A 52 13.159 2.166 -5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.889 3.351 -5.464 1.00 0.00 H new ATOM 805 N ILE A 53 11.144 2.826 -3.137 1.00 0.00 N ATOM 806 CA ILE A 53 10.527 2.539 -1.849 1.00 0.00 C ATOM 807 C ILE A 53 9.325 3.445 -1.601 1.00 0.00 C ATOM 808 O ILE A 53 9.146 4.456 -2.280 1.00 0.00 O ATOM 809 CB ILE A 53 11.530 2.710 -0.693 1.00 0.00 C ATOM 810 CG1 ILE A 53 12.063 4.144 -0.659 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.674 1.717 -0.835 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.844 4.468 0.595 1.00 0.00 C ATOM 0 H ILE A 53 11.323 3.815 -3.308 1.00 0.00 H new ATOM 0 HA ILE A 53 10.197 1.501 -1.882 1.00 0.00 H new ATOM 0 HB ILE A 53 11.016 2.511 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.702 4.306 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.226 4.837 -0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.375 1.849 -0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.279 0.701 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.189 1.888 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.191 5.500 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.203 4.338 1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.702 3.800 0.672 1.00 0.00 H new ATOM 824 N PHE A 54 8.505 3.076 -0.623 1.00 0.00 N ATOM 825 CA PHE A 54 7.320 3.855 -0.284 1.00 0.00 C ATOM 826 C PHE A 54 6.942 3.662 1.182 1.00 0.00 C ATOM 827 O PHE A 54 7.304 2.671 1.817 1.00 0.00 O ATOM 828 CB PHE A 54 6.147 3.455 -1.181 1.00 0.00 C ATOM 829 CG PHE A 54 6.085 1.982 -1.468 1.00 0.00 C ATOM 830 CD1 PHE A 54 5.613 1.097 -0.513 1.00 0.00 C ATOM 831 CD2 PHE A 54 6.501 1.483 -2.691 1.00 0.00 C ATOM 832 CE1 PHE A 54 5.555 -0.260 -0.773 1.00 0.00 C ATOM 833 CE2 PHE A 54 6.445 0.128 -2.957 1.00 0.00 C ATOM 834 CZ PHE A 54 5.973 -0.745 -1.996 1.00 0.00 C ATOM 0 H PHE A 54 8.639 2.242 -0.051 1.00 0.00 H new ATOM 0 HA PHE A 54 7.550 4.908 -0.446 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.216 3.764 -0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.220 3.998 -2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.286 1.471 0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.873 2.160 -3.445 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.183 -0.939 -0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.770 -0.248 -3.916 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.931 -1.805 -2.201 1.00 0.00 H new ATOM 844 N PRO A 55 6.197 4.631 1.733 1.00 0.00 N ATOM 845 CA PRO A 55 5.754 4.591 3.130 1.00 0.00 C ATOM 846 C PRO A 55 4.705 3.511 3.375 1.00 0.00 C ATOM 847 O PRO A 55 3.796 3.321 2.568 1.00 0.00 O ATOM 848 CB PRO A 55 5.151 5.981 3.351 1.00 0.00 C ATOM 849 CG PRO A 55 4.733 6.432 1.994 1.00 0.00 C ATOM 850 CD PRO A 55 5.729 5.841 1.036 1.00 0.00 C ATOM 0 HA PRO A 55 6.572 4.353 3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.302 5.940 4.034 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.880 6.664 3.788 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.723 6.094 1.764 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.727 7.520 1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.270 5.600 0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.549 6.530 0.833 1.00 0.00 H new ATOM 858 N ALA A 56 4.839 2.806 4.494 1.00 0.00 N ATOM 859 CA ALA A 56 3.902 1.747 4.846 1.00 0.00 C ATOM 860 C ALA A 56 2.595 2.325 5.379 1.00 0.00 C ATOM 861 O ALA A 56 1.630 1.596 5.607 1.00 0.00 O ATOM 862 CB ALA A 56 4.524 0.810 5.870 1.00 0.00 C ATOM 0 H ALA A 56 5.588 2.950 5.172 1.00 0.00 H new ATOM 0 HA ALA A 56 3.676 1.181 3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.813 0.024 6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.426 0.362 5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.780 1.371 6.769 1.00 0.00 H new ATOM 868 N ASN A 57 2.572 3.639 5.577 1.00 0.00 N ATOM 869 CA ASN A 57 1.384 4.314 6.086 1.00 0.00 C ATOM 870 C ASN A 57 0.376 4.559 4.967 1.00 0.00 C ATOM 871 O ASN A 57 -0.834 4.483 5.179 1.00 0.00 O ATOM 872 CB ASN A 57 1.768 5.643 6.741 1.00 0.00 C ATOM 873 CG ASN A 57 0.667 6.680 6.632 1.00 0.00 C ATOM 874 OD1 ASN A 57 0.907 7.815 6.219 1.00 0.00 O ATOM 875 ND2 ASN A 57 -0.548 6.295 7.005 1.00 0.00 N ATOM 0 H ASN A 57 3.362 4.257 5.393 1.00 0.00 H new ATOM 0 HA ASN A 57 0.922 3.668 6.833 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.001 5.473 7.792 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.674 6.028 6.272 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.328 6.950 6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.701 5.344 7.341 1.00 0.00 H new ATOM 882 N TYR A 58 0.884 4.852 3.775 1.00 0.00 N ATOM 883 CA TYR A 58 0.029 5.109 2.622 1.00 0.00 C ATOM 884 C TYR A 58 -0.389 3.804 1.951 1.00 0.00 C ATOM 885 O TYR A 58 -0.924 3.806 0.843 1.00 0.00 O ATOM 886 CB TYR A 58 0.751 6.005 1.615 1.00 0.00 C ATOM 887 CG TYR A 58 0.715 7.473 1.975 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.159 7.915 3.216 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.238 8.418 1.076 1.00 0.00 C ATOM 890 CE1 TYR A 58 1.127 9.255 3.550 1.00 0.00 C ATOM 891 CE2 TYR A 58 0.204 9.760 1.401 1.00 0.00 C ATOM 892 CZ TYR A 58 0.649 10.174 2.639 1.00 0.00 C ATOM 893 OH TYR A 58 0.616 11.510 2.967 1.00 0.00 O ATOM 0 H TYR A 58 1.883 4.917 3.582 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.868 5.618 2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.790 5.684 1.536 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.300 5.870 0.632 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.535 7.199 3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.112 8.098 0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.474 9.581 4.519 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.169 10.481 0.689 1.00 0.00 H new ATOM 0 HH TYR A 58 0.253 12.023 2.215 1.00 0.00 H new ATOM 903 N VAL A 59 -0.140 2.690 2.632 1.00 0.00 N ATOM 904 CA VAL A 59 -0.490 1.377 2.105 1.00 0.00 C ATOM 905 C VAL A 59 -1.017 0.465 3.207 1.00 0.00 C ATOM 906 O VAL A 59 -0.498 0.460 4.323 1.00 0.00 O ATOM 907 CB VAL A 59 0.718 0.702 1.429 1.00 0.00 C ATOM 908 CG1 VAL A 59 1.118 1.460 0.172 1.00 0.00 C ATOM 909 CG2 VAL A 59 1.886 0.608 2.399 1.00 0.00 C ATOM 0 H VAL A 59 0.303 2.671 3.551 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.272 1.533 1.362 1.00 0.00 H new ATOM 0 HB VAL A 59 0.433 -0.309 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.973 0.969 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.282 1.471 -0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.386 2.484 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.731 0.129 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.174 1.609 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.591 0.019 3.267 1.00 0.00 H new ATOM 919 N GLU A 60 -2.050 -0.307 2.886 1.00 0.00 N ATOM 920 CA GLU A 60 -2.647 -1.224 3.850 1.00 0.00 C ATOM 921 C GLU A 60 -2.948 -2.573 3.203 1.00 0.00 C ATOM 922 O GLU A 60 -3.391 -2.640 2.056 1.00 0.00 O ATOM 923 CB GLU A 60 -3.931 -0.626 4.429 1.00 0.00 C ATOM 924 CG GLU A 60 -4.353 -1.251 5.748 1.00 0.00 C ATOM 925 CD GLU A 60 -5.833 -1.078 6.028 1.00 0.00 C ATOM 926 OE1 GLU A 60 -6.630 -1.906 5.537 1.00 0.00 O ATOM 927 OE2 GLU A 60 -6.195 -0.116 6.737 1.00 0.00 O ATOM 0 H GLU A 60 -2.491 -0.316 1.966 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.931 -1.379 4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.790 0.445 4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.737 -0.747 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.111 -2.314 5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.779 -0.802 6.559 1.00 0.00 H new ATOM 934 N VAL A 61 -2.705 -3.647 3.948 1.00 0.00 N ATOM 935 CA VAL A 61 -2.950 -4.995 3.449 1.00 0.00 C ATOM 936 C VAL A 61 -4.444 -5.296 3.389 1.00 0.00 C ATOM 937 O VAL A 61 -5.072 -5.582 4.410 1.00 0.00 O ATOM 938 CB VAL A 61 -2.259 -6.053 4.329 1.00 0.00 C ATOM 939 CG1 VAL A 61 -2.582 -7.454 3.832 1.00 0.00 C ATOM 940 CG2 VAL A 61 -0.756 -5.822 4.359 1.00 0.00 C ATOM 0 H VAL A 61 -2.339 -3.610 4.899 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.533 -5.041 2.443 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.638 -5.958 5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.085 -8.188 4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.660 -7.613 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.233 -7.565 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.284 -6.579 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.357 -5.889 3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.548 -4.833 4.766 1.00 0.00 H new