USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 593 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 53 LYS NZ :NH3+ -123:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0.918 USER MOD Set 2.1: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 14 ASN : amide:sc= -0.436 K(o=-0.92,f=-0.2) USER MOD Set 3.2: A 50 HIS : no HD1:sc= -0.481 K(o=-0.92,f=-0.015) USER MOD Single : A 12 SER OG : rot 179:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0429 X(o=-0.043,f=-0.067) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0123) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 30 LYS NZ :NH3+ -138:sc= -1.39 (180deg=-3.82!) USER MOD Single : A 33 ASN : amide:sc= 0.409 K(o=0.41,f=-1.7!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 46 GLN : amide:sc= -0.522 K(o=-0.52,f=-3.6!) USER MOD Single : A 57 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.2) USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= -0.0937 (180deg=-0.496) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0488 X(o=-0.049,f=0) USER MOD Single : A 64 SER OG : rot -94:sc= 0.327 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -3.73! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 155:sc= -2.05! (180deg=-2.53!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 119 N SER A 12 -6.134 20.507 5.742 1.00 0.00 N ATOM 120 CA SER A 12 -6.333 20.007 4.386 1.00 0.00 C ATOM 121 C SER A 12 -6.989 18.629 4.407 1.00 0.00 C ATOM 122 O SER A 12 -6.846 17.859 5.356 1.00 0.00 O ATOM 123 CB SER A 12 -4.997 19.937 3.644 1.00 0.00 C ATOM 124 OG SER A 12 -4.606 21.216 3.176 1.00 0.00 O ATOM 0 HA SER A 12 -6.994 20.698 3.863 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.229 19.539 4.308 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.080 19.248 2.803 1.00 0.00 H new ATOM 0 HG SER A 12 -3.738 21.149 2.727 1.00 0.00 H new ATOM 130 N PRO A 13 -7.727 18.310 3.333 1.00 0.00 N ATOM 131 CA PRO A 13 -8.420 17.025 3.201 1.00 0.00 C ATOM 132 C PRO A 13 -7.452 15.863 3.004 1.00 0.00 C ATOM 133 O PRO A 13 -7.663 14.772 3.533 1.00 0.00 O ATOM 134 CB PRO A 13 -9.288 17.216 1.955 1.00 0.00 C ATOM 135 CG PRO A 13 -8.586 18.263 1.161 1.00 0.00 C ATOM 136 CD PRO A 13 -7.941 19.180 2.163 1.00 0.00 C ATOM 0 HA PRO A 13 -8.987 16.773 4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.381 16.288 1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.297 17.531 2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.840 17.818 0.502 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.286 18.808 0.528 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.002 19.588 1.788 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.583 20.027 2.404 1.00 0.00 H new ATOM 144 N ASN A 14 -6.392 16.104 2.240 1.00 0.00 N ATOM 145 CA ASN A 14 -5.392 15.076 1.974 1.00 0.00 C ATOM 146 C ASN A 14 -4.730 14.613 3.268 1.00 0.00 C ATOM 147 O ASN A 14 -4.517 13.418 3.476 1.00 0.00 O ATOM 148 CB ASN A 14 -4.332 15.606 1.006 1.00 0.00 C ATOM 149 CG ASN A 14 -4.902 15.909 -0.366 1.00 0.00 C ATOM 150 OD1 ASN A 14 -5.504 16.961 -0.582 1.00 0.00 O ATOM 151 ND2 ASN A 14 -4.714 14.985 -1.302 1.00 0.00 N ATOM 0 H ASN A 14 -6.203 17.002 1.794 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.895 14.223 1.520 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.886 16.511 1.419 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.532 14.872 0.910 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.075 15.133 -2.245 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.209 14.128 -1.078 1.00 0.00 H new ATOM 158 N LEU A 15 -4.406 15.567 4.134 1.00 0.00 N ATOM 159 CA LEU A 15 -3.768 15.258 5.409 1.00 0.00 C ATOM 160 C LEU A 15 -4.738 14.543 6.344 1.00 0.00 C ATOM 161 O LEU A 15 -4.456 13.445 6.824 1.00 0.00 O ATOM 162 CB LEU A 15 -3.256 16.539 6.069 1.00 0.00 C ATOM 163 CG LEU A 15 -2.723 16.392 7.495 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.451 15.558 7.506 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.471 17.760 8.114 1.00 0.00 C ATOM 0 H LEU A 15 -4.575 16.561 3.977 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.925 14.595 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.462 16.953 5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.066 17.268 6.079 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.476 15.878 8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.086 15.464 8.529 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.662 14.567 7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.692 16.044 6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.092 17.636 9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.737 18.300 7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.403 18.324 8.141 1.00 0.00 H new ATOM 177 N GLN A 16 -5.881 15.172 6.596 1.00 0.00 N ATOM 178 CA GLN A 16 -6.893 14.594 7.473 1.00 0.00 C ATOM 179 C GLN A 16 -7.122 13.122 7.144 1.00 0.00 C ATOM 180 O GLN A 16 -7.218 12.283 8.040 1.00 0.00 O ATOM 181 CB GLN A 16 -8.207 15.367 7.348 1.00 0.00 C ATOM 182 CG GLN A 16 -9.322 14.816 8.223 1.00 0.00 C ATOM 183 CD GLN A 16 -8.933 14.742 9.686 1.00 0.00 C ATOM 184 OE1 GLN A 16 -8.815 15.765 10.361 1.00 0.00 O ATOM 185 NE2 GLN A 16 -8.733 13.528 10.185 1.00 0.00 N ATOM 0 H GLN A 16 -6.130 16.081 6.206 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.533 14.666 8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.032 16.410 7.611 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.531 15.351 6.307 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.206 15.445 8.117 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.595 13.821 7.873 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.842 12.707 9.589 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.470 13.416 11.164 1.00 0.00 H new ATOM 194 N LYS A 17 -7.209 12.816 5.854 1.00 0.00 N ATOM 195 CA LYS A 17 -7.426 11.446 5.406 1.00 0.00 C ATOM 196 C LYS A 17 -6.275 10.543 5.838 1.00 0.00 C ATOM 197 O LYS A 17 -6.492 9.473 6.405 1.00 0.00 O ATOM 198 CB LYS A 17 -7.577 11.403 3.884 1.00 0.00 C ATOM 199 CG LYS A 17 -7.828 10.009 3.336 1.00 0.00 C ATOM 200 CD LYS A 17 -8.618 10.053 2.039 1.00 0.00 C ATOM 201 CE LYS A 17 -9.267 8.711 1.735 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.063 8.752 0.478 1.00 0.00 N ATOM 0 H LYS A 17 -7.132 13.499 5.100 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.344 11.081 5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.401 12.053 3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.674 11.807 3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.875 9.507 3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.372 9.419 4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.387 10.823 2.106 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.957 10.333 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.496 7.945 1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.913 8.424 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.489 7.819 0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.815 9.465 0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.442 9.001 -0.318 1.00 0.00 H new ATOM 216 N ALA A 18 -5.050 10.983 5.568 1.00 0.00 N ATOM 217 CA ALA A 18 -3.865 10.217 5.932 1.00 0.00 C ATOM 218 C ALA A 18 -3.889 9.838 7.409 1.00 0.00 C ATOM 219 O ALA A 18 -3.624 8.691 7.769 1.00 0.00 O ATOM 220 CB ALA A 18 -2.605 11.006 5.608 1.00 0.00 C ATOM 0 H ALA A 18 -4.853 11.867 5.098 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.864 9.297 5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.728 10.421 5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.575 11.221 4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.608 11.942 6.166 1.00 0.00 H new ATOM 226 N ILE A 19 -4.206 10.809 8.259 1.00 0.00 N ATOM 227 CA ILE A 19 -4.265 10.576 9.697 1.00 0.00 C ATOM 228 C ILE A 19 -5.229 9.443 10.031 1.00 0.00 C ATOM 229 O ILE A 19 -4.823 8.398 10.539 1.00 0.00 O ATOM 230 CB ILE A 19 -4.698 11.844 10.455 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.669 12.960 10.257 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.879 11.541 11.935 1.00 0.00 C ATOM 233 CD1 ILE A 19 -4.229 14.346 10.486 1.00 0.00 C ATOM 0 H ILE A 19 -4.426 11.764 7.977 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.259 10.299 10.014 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.654 12.180 10.053 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.833 12.798 10.938 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.271 12.901 9.244 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.185 12.447 12.457 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.644 10.775 12.059 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.937 11.183 12.351 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.444 15.086 10.328 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.046 14.528 9.787 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.601 14.424 11.508 1.00 0.00 H new ATOM 245 N ASP A 20 -6.508 9.657 9.742 1.00 0.00 N ATOM 246 CA ASP A 20 -7.531 8.653 10.010 1.00 0.00 C ATOM 247 C ASP A 20 -7.077 7.275 9.537 1.00 0.00 C ATOM 248 O ASP A 20 -7.087 6.310 10.301 1.00 0.00 O ATOM 249 CB ASP A 20 -8.843 9.035 9.322 1.00 0.00 C ATOM 250 CG ASP A 20 -10.058 8.528 10.073 1.00 0.00 C ATOM 251 OD1 ASP A 20 -10.086 7.328 10.417 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.983 9.332 10.317 1.00 0.00 O ATOM 0 H ASP A 20 -6.861 10.517 9.322 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.693 8.613 11.087 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.901 10.120 9.233 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.850 8.631 8.310 1.00 0.00 H new ATOM 257 N LEU A 21 -6.680 7.191 8.272 1.00 0.00 N ATOM 258 CA LEU A 21 -6.223 5.931 7.695 1.00 0.00 C ATOM 259 C LEU A 21 -5.133 5.302 8.558 1.00 0.00 C ATOM 260 O LEU A 21 -5.341 4.255 9.171 1.00 0.00 O ATOM 261 CB LEU A 21 -5.699 6.157 6.276 1.00 0.00 C ATOM 262 CG LEU A 21 -6.751 6.490 5.217 1.00 0.00 C ATOM 263 CD1 LEU A 21 -6.094 7.072 3.976 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.561 5.251 4.863 1.00 0.00 C ATOM 0 H LEU A 21 -6.665 7.980 7.626 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.071 5.248 7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.971 6.968 6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.166 5.261 5.960 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.429 7.238 5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.858 7.303 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.559 7.984 4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.393 6.347 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.305 5.506 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.896 4.481 4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.063 4.877 5.755 1.00 0.00 H new ATOM 276 N ALA A 22 -3.973 5.948 8.600 1.00 0.00 N ATOM 277 CA ALA A 22 -2.852 5.453 9.390 1.00 0.00 C ATOM 278 C ALA A 22 -3.324 4.920 10.739 1.00 0.00 C ATOM 279 O ALA A 22 -2.832 3.900 11.221 1.00 0.00 O ATOM 280 CB ALA A 22 -1.820 6.554 9.588 1.00 0.00 C ATOM 0 H ALA A 22 -3.785 6.815 8.097 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.390 4.630 8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.988 6.171 10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.452 6.887 8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.279 7.394 10.109 1.00 0.00 H new ATOM 286 N SER A 23 -4.280 5.617 11.344 1.00 0.00 N ATOM 287 CA SER A 23 -4.816 5.216 12.640 1.00 0.00 C ATOM 288 C SER A 23 -5.591 3.907 12.525 1.00 0.00 C ATOM 289 O SER A 23 -5.477 3.027 13.379 1.00 0.00 O ATOM 290 CB SER A 23 -5.723 6.312 13.202 1.00 0.00 C ATOM 291 OG SER A 23 -5.844 6.202 14.609 1.00 0.00 O ATOM 0 H SER A 23 -4.700 6.463 10.958 1.00 0.00 H new ATOM 0 HA SER A 23 -3.979 5.064 13.321 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.319 7.291 12.944 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.709 6.243 12.743 1.00 0.00 H new ATOM 0 HG SER A 23 -6.427 6.915 14.944 1.00 0.00 H new ATOM 297 N LYS A 24 -6.381 3.786 11.464 1.00 0.00 N ATOM 298 CA LYS A 24 -7.175 2.585 11.235 1.00 0.00 C ATOM 299 C LYS A 24 -6.282 1.353 11.131 1.00 0.00 C ATOM 300 O LYS A 24 -6.535 0.335 11.775 1.00 0.00 O ATOM 301 CB LYS A 24 -8.006 2.734 9.958 1.00 0.00 C ATOM 302 CG LYS A 24 -9.247 1.858 9.934 1.00 0.00 C ATOM 303 CD LYS A 24 -10.157 2.213 8.771 1.00 0.00 C ATOM 304 CE LYS A 24 -11.524 1.560 8.913 1.00 0.00 C ATOM 305 NZ LYS A 24 -11.433 0.073 8.898 1.00 0.00 N ATOM 0 H LYS A 24 -6.489 4.505 10.749 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.845 2.456 12.085 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.305 3.776 9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.382 2.490 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.953 0.811 9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.792 1.971 10.871 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.274 3.295 8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.696 1.894 7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.987 1.886 9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.171 1.892 8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.390 -0.334 8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.953 -0.237 8.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.893 -0.250 9.726 1.00 0.00 H new ATOM 319 N ALA A 25 -5.236 1.453 10.317 1.00 0.00 N ATOM 320 CA ALA A 25 -4.303 0.348 10.132 1.00 0.00 C ATOM 321 C ALA A 25 -4.013 -0.353 11.455 1.00 0.00 C ATOM 322 O ALA A 25 -4.350 -1.522 11.636 1.00 0.00 O ATOM 323 CB ALA A 25 -3.011 0.848 9.503 1.00 0.00 C ATOM 0 H ALA A 25 -5.013 2.288 9.775 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.764 -0.376 9.461 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.324 0.012 9.371 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.228 1.296 8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.554 1.594 10.154 1.00 0.00 H new ATOM 329 N ALA A 26 -3.386 0.370 12.377 1.00 0.00 N ATOM 330 CA ALA A 26 -3.052 -0.182 13.684 1.00 0.00 C ATOM 331 C ALA A 26 -4.180 -1.062 14.213 1.00 0.00 C ATOM 332 O ALA A 26 -3.983 -2.248 14.473 1.00 0.00 O ATOM 333 CB ALA A 26 -2.747 0.937 14.668 1.00 0.00 C ATOM 0 H ALA A 26 -3.099 1.340 12.243 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.164 -0.804 13.572 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.499 0.510 15.640 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.903 1.522 14.303 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.620 1.582 14.767 1.00 0.00 H new ATOM 339 N GLN A 27 -5.360 -0.472 14.370 1.00 0.00 N ATOM 340 CA GLN A 27 -6.519 -1.202 14.870 1.00 0.00 C ATOM 341 C GLN A 27 -6.614 -2.580 14.222 1.00 0.00 C ATOM 342 O GLN A 27 -6.753 -3.591 14.911 1.00 0.00 O ATOM 343 CB GLN A 27 -7.801 -0.412 14.604 1.00 0.00 C ATOM 344 CG GLN A 27 -7.663 1.078 14.872 1.00 0.00 C ATOM 345 CD GLN A 27 -8.995 1.748 15.144 1.00 0.00 C ATOM 346 OE1 GLN A 27 -9.557 2.416 14.276 1.00 0.00 O ATOM 347 NE2 GLN A 27 -9.510 1.572 16.356 1.00 0.00 N ATOM 0 H GLN A 27 -5.539 0.510 14.158 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.398 -1.332 15.945 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.101 -0.560 13.567 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.601 -0.812 15.227 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.003 1.230 15.726 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.189 1.555 14.014 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.011 1.010 17.046 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.405 1.998 16.597 1.00 0.00 H new ATOM 356 N GLU A 28 -6.537 -2.612 12.896 1.00 0.00 N ATOM 357 CA GLU A 28 -6.616 -3.867 12.156 1.00 0.00 C ATOM 358 C GLU A 28 -5.442 -4.777 12.504 1.00 0.00 C ATOM 359 O GLU A 28 -5.624 -5.962 12.785 1.00 0.00 O ATOM 360 CB GLU A 28 -6.637 -3.596 10.651 1.00 0.00 C ATOM 361 CG GLU A 28 -7.912 -2.922 10.171 1.00 0.00 C ATOM 362 CD GLU A 28 -9.125 -3.319 10.990 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.237 -2.859 12.145 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.962 -4.090 10.475 1.00 0.00 O ATOM 0 H GLU A 28 -6.420 -1.784 12.312 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.540 -4.370 12.440 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.784 -2.968 10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.512 -4.539 10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.786 -1.840 10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.084 -3.180 9.126 1.00 0.00 H new ATOM 371 N ASP A 29 -4.238 -4.216 12.482 1.00 0.00 N ATOM 372 CA ASP A 29 -3.034 -4.976 12.795 1.00 0.00 C ATOM 373 C ASP A 29 -3.128 -5.595 14.186 1.00 0.00 C ATOM 374 O ASP A 29 -2.637 -6.699 14.421 1.00 0.00 O ATOM 375 CB ASP A 29 -1.800 -4.077 12.706 1.00 0.00 C ATOM 376 CG ASP A 29 -0.545 -4.849 12.350 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.236 -5.834 13.051 1.00 0.00 O ATOM 378 OD2 ASP A 29 0.128 -4.468 11.369 1.00 0.00 O ATOM 0 H ASP A 29 -4.070 -3.237 12.250 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.942 -5.780 12.065 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.971 -3.303 11.958 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.653 -3.571 13.660 1.00 0.00 H new ATOM 383 N LYS A 30 -3.762 -4.876 15.107 1.00 0.00 N ATOM 384 CA LYS A 30 -3.922 -5.353 16.475 1.00 0.00 C ATOM 385 C LYS A 30 -5.108 -6.305 16.584 1.00 0.00 C ATOM 386 O LYS A 30 -5.117 -7.208 17.420 1.00 0.00 O ATOM 387 CB LYS A 30 -4.112 -4.172 17.430 1.00 0.00 C ATOM 388 CG LYS A 30 -3.625 -4.448 18.842 1.00 0.00 C ATOM 389 CD LYS A 30 -3.706 -3.204 19.712 1.00 0.00 C ATOM 390 CE LYS A 30 -5.134 -2.926 20.155 1.00 0.00 C ATOM 391 NZ LYS A 30 -5.961 -2.372 19.048 1.00 0.00 N ATOM 0 H LYS A 30 -4.174 -3.960 14.930 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.018 -5.895 16.753 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.581 -3.306 17.034 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.169 -3.909 17.464 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.224 -5.243 19.286 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.595 -4.804 18.810 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.070 -3.329 20.588 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.322 -2.347 19.159 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.587 -3.848 20.520 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.125 -2.223 20.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.556 -1.600 19.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.339 -2.006 18.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.567 -3.122 18.659 1.00 0.00 H new ATOM 405 N ALA A 31 -6.108 -6.098 15.733 1.00 0.00 N ATOM 406 CA ALA A 31 -7.297 -6.940 15.732 1.00 0.00 C ATOM 407 C ALA A 31 -7.009 -8.297 15.099 1.00 0.00 C ATOM 408 O ALA A 31 -7.674 -9.287 15.400 1.00 0.00 O ATOM 409 CB ALA A 31 -8.435 -6.245 14.999 1.00 0.00 C ATOM 0 H ALA A 31 -6.118 -5.354 15.035 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.594 -7.107 16.767 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.317 -6.885 15.006 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.667 -5.303 15.496 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.138 -6.048 13.969 1.00 0.00 H new ATOM 415 N GLY A 32 -6.012 -8.335 14.221 1.00 0.00 N ATOM 416 CA GLY A 32 -5.653 -9.576 13.559 1.00 0.00 C ATOM 417 C GLY A 32 -5.723 -9.469 12.048 1.00 0.00 C ATOM 418 O GLY A 32 -5.479 -10.443 11.338 1.00 0.00 O ATOM 0 H GLY A 32 -5.446 -7.529 13.956 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.643 -9.862 13.853 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.320 -10.370 13.895 1.00 0.00 H new ATOM 422 N ASN A 33 -6.059 -8.281 11.556 1.00 0.00 N ATOM 423 CA ASN A 33 -6.163 -8.050 10.120 1.00 0.00 C ATOM 424 C ASN A 33 -4.856 -7.494 9.562 1.00 0.00 C ATOM 425 O ASN A 33 -4.534 -6.322 9.758 1.00 0.00 O ATOM 426 CB ASN A 33 -7.311 -7.085 9.819 1.00 0.00 C ATOM 427 CG ASN A 33 -8.656 -7.782 9.773 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.743 -8.968 9.455 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.715 -7.047 10.091 1.00 0.00 N ATOM 0 H ASN A 33 -6.264 -7.464 12.131 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.366 -9.006 9.637 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.335 -6.305 10.580 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.127 -6.593 8.864 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.647 -7.462 10.078 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.597 -6.067 10.349 1.00 0.00 H new ATOM 436 N TYR A 34 -4.108 -8.343 8.867 1.00 0.00 N ATOM 437 CA TYR A 34 -2.835 -7.938 8.282 1.00 0.00 C ATOM 438 C TYR A 34 -3.037 -7.356 6.886 1.00 0.00 C ATOM 439 O TYR A 34 -2.672 -6.211 6.621 1.00 0.00 O ATOM 440 CB TYR A 34 -1.877 -9.129 8.216 1.00 0.00 C ATOM 441 CG TYR A 34 -1.170 -9.409 9.523 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.838 -9.295 10.736 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.167 -9.788 9.544 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.195 -9.550 11.932 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.817 -10.046 10.735 1.00 0.00 C ATOM 446 CZ TYR A 34 0.132 -9.926 11.926 1.00 0.00 C ATOM 447 OH TYR A 34 0.776 -10.181 13.115 1.00 0.00 O ATOM 0 H TYR A 34 -4.361 -9.316 8.695 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.402 -7.167 8.919 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.434 -10.017 7.916 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.132 -8.943 7.442 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.877 -9.002 10.744 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.707 -9.882 8.613 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.728 -9.455 12.866 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.856 -10.340 10.734 1.00 0.00 H new ATOM 0 HH TYR A 34 1.705 -10.435 12.936 1.00 0.00 H new ATOM 457 N GLU A 35 -3.622 -8.154 5.999 1.00 0.00 N ATOM 458 CA GLU A 35 -3.873 -7.719 4.630 1.00 0.00 C ATOM 459 C GLU A 35 -4.599 -6.376 4.610 1.00 0.00 C ATOM 460 O GLU A 35 -4.326 -5.525 3.764 1.00 0.00 O ATOM 461 CB GLU A 35 -4.698 -8.767 3.881 1.00 0.00 C ATOM 462 CG GLU A 35 -5.799 -9.390 4.722 1.00 0.00 C ATOM 463 CD GLU A 35 -6.819 -10.139 3.887 1.00 0.00 C ATOM 464 OE1 GLU A 35 -6.468 -11.205 3.339 1.00 0.00 O ATOM 465 OE2 GLU A 35 -7.967 -9.660 3.780 1.00 0.00 O ATOM 0 H GLU A 35 -3.931 -9.104 6.203 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.911 -7.600 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.143 -8.305 3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.033 -9.555 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.355 -10.074 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.304 -8.608 5.290 1.00 0.00 H new ATOM 472 N GLU A 36 -5.523 -6.196 5.548 1.00 0.00 N ATOM 473 CA GLU A 36 -6.289 -4.958 5.637 1.00 0.00 C ATOM 474 C GLU A 36 -5.450 -3.843 6.255 1.00 0.00 C ATOM 475 O GLU A 36 -5.500 -2.696 5.812 1.00 0.00 O ATOM 476 CB GLU A 36 -7.557 -5.175 6.465 1.00 0.00 C ATOM 477 CG GLU A 36 -8.686 -4.222 6.110 1.00 0.00 C ATOM 478 CD GLU A 36 -9.564 -4.748 4.991 1.00 0.00 C ATOM 479 OE1 GLU A 36 -9.020 -5.368 4.053 1.00 0.00 O ATOM 480 OE2 GLU A 36 -10.794 -4.541 5.053 1.00 0.00 O ATOM 0 H GLU A 36 -5.759 -6.891 6.256 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.570 -4.661 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.901 -6.200 6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.315 -5.061 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.298 -4.045 6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.266 -3.260 5.815 1.00 0.00 H new ATOM 487 N ALA A 37 -4.680 -4.189 7.282 1.00 0.00 N ATOM 488 CA ALA A 37 -3.830 -3.219 7.960 1.00 0.00 C ATOM 489 C ALA A 37 -2.705 -2.742 7.048 1.00 0.00 C ATOM 490 O ALA A 37 -2.155 -1.657 7.239 1.00 0.00 O ATOM 491 CB ALA A 37 -3.258 -3.820 9.236 1.00 0.00 C ATOM 0 H ALA A 37 -4.628 -5.134 7.662 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.442 -2.356 8.220 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.625 -3.085 9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.073 -4.105 9.901 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.666 -4.701 8.989 1.00 0.00 H new ATOM 497 N LEU A 38 -2.368 -3.559 6.056 1.00 0.00 N ATOM 498 CA LEU A 38 -1.307 -3.220 5.113 1.00 0.00 C ATOM 499 C LEU A 38 -1.729 -2.065 4.211 1.00 0.00 C ATOM 500 O LEU A 38 -1.146 -0.983 4.260 1.00 0.00 O ATOM 501 CB LEU A 38 -0.945 -4.440 4.263 1.00 0.00 C ATOM 502 CG LEU A 38 -0.048 -4.172 3.054 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.368 -3.847 3.501 1.00 0.00 C ATOM 504 CD2 LEU A 38 -0.051 -5.369 2.113 1.00 0.00 C ATOM 0 H LEU A 38 -2.813 -4.460 5.884 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.432 -2.910 5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.450 -5.170 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.868 -4.900 3.911 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.443 -3.310 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.991 -3.659 2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.355 -2.960 4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.774 -4.688 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.592 -5.161 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.319 -6.248 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.067 -5.556 1.765 1.00 0.00 H new ATOM 516 N GLN A 39 -2.747 -2.303 3.391 1.00 0.00 N ATOM 517 CA GLN A 39 -3.248 -1.281 2.479 1.00 0.00 C ATOM 518 C GLN A 39 -3.443 0.047 3.204 1.00 0.00 C ATOM 519 O GLN A 39 -3.111 1.109 2.675 1.00 0.00 O ATOM 520 CB GLN A 39 -4.568 -1.731 1.851 1.00 0.00 C ATOM 521 CG GLN A 39 -5.780 -1.477 2.733 1.00 0.00 C ATOM 522 CD GLN A 39 -7.090 -1.705 2.005 1.00 0.00 C ATOM 523 OE1 GLN A 39 -7.241 -2.677 1.264 1.00 0.00 O ATOM 524 NE2 GLN A 39 -8.047 -0.808 2.213 1.00 0.00 N ATOM 0 H GLN A 39 -3.241 -3.194 3.339 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.509 -1.139 1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.705 -1.212 0.902 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.509 -2.796 1.627 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.734 -2.131 3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.748 -0.452 3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.879 -0.018 2.835 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.950 -0.909 1.750 1.00 0.00 H new ATOM 533 N LEU A 40 -3.982 -0.020 4.415 1.00 0.00 N ATOM 534 CA LEU A 40 -4.222 1.178 5.213 1.00 0.00 C ATOM 535 C LEU A 40 -2.909 1.871 5.562 1.00 0.00 C ATOM 536 O LEU A 40 -2.857 3.094 5.696 1.00 0.00 O ATOM 537 CB LEU A 40 -4.978 0.819 6.494 1.00 0.00 C ATOM 538 CG LEU A 40 -6.412 0.322 6.309 1.00 0.00 C ATOM 539 CD1 LEU A 40 -6.968 -0.205 7.623 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.296 1.433 5.761 1.00 0.00 C ATOM 0 H LEU A 40 -4.262 -0.891 4.867 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.828 1.864 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.414 0.051 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.999 1.698 7.138 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.402 -0.496 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.989 -0.554 7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.350 -1.031 7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.964 0.593 8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.313 1.061 5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.300 2.272 6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.909 1.763 4.797 1.00 0.00 H new ATOM 552 N TYR A 41 -1.850 1.083 5.706 1.00 0.00 N ATOM 553 CA TYR A 41 -0.536 1.620 6.039 1.00 0.00 C ATOM 554 C TYR A 41 0.071 2.355 4.847 1.00 0.00 C ATOM 555 O TYR A 41 0.729 3.382 5.008 1.00 0.00 O ATOM 556 CB TYR A 41 0.399 0.497 6.489 1.00 0.00 C ATOM 557 CG TYR A 41 0.295 0.176 7.963 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.306 1.187 8.917 1.00 0.00 C ATOM 559 CD2 TYR A 41 0.185 -1.137 8.403 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.212 0.899 10.264 1.00 0.00 C ATOM 561 CE2 TYR A 41 0.088 -1.434 9.749 1.00 0.00 C ATOM 562 CZ TYR A 41 0.103 -0.413 10.675 1.00 0.00 C ATOM 563 OH TYR A 41 0.008 -0.705 12.017 1.00 0.00 O ATOM 0 H TYR A 41 -1.876 0.069 5.597 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.659 2.330 6.857 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.177 -0.402 5.914 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.427 0.777 6.258 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.390 2.216 8.599 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.175 -1.940 7.680 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.224 1.697 10.992 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.001 -2.460 10.074 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.063 -1.675 12.136 1.00 0.00 H new ATOM 573 N GLN A 42 -0.157 1.819 3.652 1.00 0.00 N ATOM 574 CA GLN A 42 0.367 2.423 2.433 1.00 0.00 C ATOM 575 C GLN A 42 -0.406 3.689 2.077 1.00 0.00 C ATOM 576 O GLN A 42 0.186 4.735 1.811 1.00 0.00 O ATOM 577 CB GLN A 42 0.297 1.426 1.274 1.00 0.00 C ATOM 578 CG GLN A 42 1.047 0.131 1.540 1.00 0.00 C ATOM 579 CD GLN A 42 1.268 -0.685 0.282 1.00 0.00 C ATOM 580 OE1 GLN A 42 2.121 -0.356 -0.543 1.00 0.00 O ATOM 581 NE2 GLN A 42 0.498 -1.756 0.127 1.00 0.00 N ATOM 0 H GLN A 42 -0.700 0.969 3.502 1.00 0.00 H new ATOM 0 HA GLN A 42 1.408 2.692 2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.748 1.195 1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.704 1.894 0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.011 0.361 1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.489 -0.466 2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.196 -1.992 0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.601 -2.343 -0.701 1.00 0.00 H new ATOM 590 N HIS A 43 -1.731 3.586 2.073 1.00 0.00 N ATOM 591 CA HIS A 43 -2.585 4.723 1.750 1.00 0.00 C ATOM 592 C HIS A 43 -2.248 5.923 2.630 1.00 0.00 C ATOM 593 O HIS A 43 -2.046 7.031 2.133 1.00 0.00 O ATOM 594 CB HIS A 43 -4.058 4.348 1.923 1.00 0.00 C ATOM 595 CG HIS A 43 -4.680 3.782 0.684 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.888 4.523 -0.460 1.00 0.00 N ATOM 597 CD2 HIS A 43 -5.140 2.537 0.413 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.451 3.759 -1.380 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.614 2.550 -0.876 1.00 0.00 N ATOM 0 H HIS A 43 -2.236 2.727 2.290 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.407 4.995 0.710 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.147 3.620 2.730 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.616 5.233 2.229 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.135 1.692 1.085 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.730 4.071 -2.375 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.025 1.755 -1.364 1.00 0.00 H new ATOM 608 N ALA A 44 -2.190 5.695 3.937 1.00 0.00 N ATOM 609 CA ALA A 44 -1.875 6.757 4.885 1.00 0.00 C ATOM 610 C ALA A 44 -0.654 7.551 4.435 1.00 0.00 C ATOM 611 O ALA A 44 -0.636 8.779 4.515 1.00 0.00 O ATOM 612 CB ALA A 44 -1.648 6.175 6.273 1.00 0.00 C ATOM 0 H ALA A 44 -2.357 4.784 4.364 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.724 7.439 4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.414 6.979 6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.550 5.659 6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.818 5.469 6.240 1.00 0.00 H new ATOM 618 N VAL A 45 0.366 6.841 3.963 1.00 0.00 N ATOM 619 CA VAL A 45 1.592 7.480 3.500 1.00 0.00 C ATOM 620 C VAL A 45 1.364 8.220 2.186 1.00 0.00 C ATOM 621 O VAL A 45 1.672 9.406 2.070 1.00 0.00 O ATOM 622 CB VAL A 45 2.723 6.452 3.307 1.00 0.00 C ATOM 623 CG1 VAL A 45 3.966 7.124 2.746 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.033 5.750 4.621 1.00 0.00 C ATOM 0 H VAL A 45 0.367 5.824 3.891 1.00 0.00 H new ATOM 0 HA VAL A 45 1.887 8.193 4.270 1.00 0.00 H new ATOM 0 HB VAL A 45 2.391 5.702 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.754 6.382 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.732 7.576 1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.305 7.896 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.834 5.027 4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.346 6.486 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.142 5.233 4.977 1.00 0.00 H new ATOM 634 N GLN A 46 0.822 7.512 1.201 1.00 0.00 N ATOM 635 CA GLN A 46 0.552 8.102 -0.105 1.00 0.00 C ATOM 636 C GLN A 46 -0.073 9.485 0.042 1.00 0.00 C ATOM 637 O GLN A 46 0.286 10.419 -0.676 1.00 0.00 O ATOM 638 CB GLN A 46 -0.372 7.194 -0.917 1.00 0.00 C ATOM 639 CG GLN A 46 0.284 5.896 -1.359 1.00 0.00 C ATOM 640 CD GLN A 46 1.244 6.091 -2.517 1.00 0.00 C ATOM 641 OE1 GLN A 46 2.164 6.907 -2.444 1.00 0.00 O ATOM 642 NE2 GLN A 46 1.034 5.343 -3.593 1.00 0.00 N ATOM 0 H GLN A 46 0.561 6.529 1.282 1.00 0.00 H new ATOM 0 HA GLN A 46 1.500 8.207 -0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.254 6.961 -0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.717 7.735 -1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.821 5.460 -0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.488 5.183 -1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.259 4.680 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.647 5.431 -4.403 1.00 0.00 H new ATOM 651 N TYR A 47 -1.011 9.608 0.974 1.00 0.00 N ATOM 652 CA TYR A 47 -1.690 10.877 1.212 1.00 0.00 C ATOM 653 C TYR A 47 -0.784 11.845 1.968 1.00 0.00 C ATOM 654 O TYR A 47 -0.697 13.026 1.628 1.00 0.00 O ATOM 655 CB TYR A 47 -2.981 10.649 2.000 1.00 0.00 C ATOM 656 CG TYR A 47 -4.096 10.050 1.174 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.747 10.800 0.203 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.500 8.734 1.366 1.00 0.00 C ATOM 659 CE1 TYR A 47 -5.768 10.257 -0.554 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.518 8.183 0.612 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.149 8.948 -0.346 1.00 0.00 C ATOM 662 OH TYR A 47 -7.165 8.403 -1.097 1.00 0.00 O ATOM 0 H TYR A 47 -1.319 8.845 1.577 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.935 11.316 0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.771 9.991 2.843 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.317 11.600 2.414 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.450 11.825 0.037 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.010 8.132 2.117 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.265 10.854 -1.304 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.818 7.158 0.772 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.309 7.472 -0.826 1.00 0.00 H new ATOM 672 N PHE A 48 -0.110 11.337 2.994 1.00 0.00 N ATOM 673 CA PHE A 48 0.789 12.155 3.799 1.00 0.00 C ATOM 674 C PHE A 48 1.787 12.897 2.915 1.00 0.00 C ATOM 675 O PHE A 48 2.011 14.097 3.083 1.00 0.00 O ATOM 676 CB PHE A 48 1.537 11.284 4.811 1.00 0.00 C ATOM 677 CG PHE A 48 0.759 11.027 6.070 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.157 12.070 6.754 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.631 9.741 6.570 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.560 11.836 7.912 1.00 0.00 C ATOM 681 CE2 PHE A 48 -0.085 9.501 7.727 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.680 10.550 8.400 1.00 0.00 C ATOM 0 H PHE A 48 -0.169 10.362 3.288 1.00 0.00 H new ATOM 0 HA PHE A 48 0.189 12.890 4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.784 10.330 4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.480 11.767 5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.249 13.078 6.378 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.096 8.917 6.049 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.026 12.658 8.435 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.179 8.494 8.105 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.238 10.365 9.306 1.00 0.00 H new ATOM 692 N LEU A 49 2.383 12.176 1.972 1.00 0.00 N ATOM 693 CA LEU A 49 3.358 12.765 1.060 1.00 0.00 C ATOM 694 C LEU A 49 2.735 13.902 0.257 1.00 0.00 C ATOM 695 O LEU A 49 3.163 15.052 0.354 1.00 0.00 O ATOM 696 CB LEU A 49 3.909 11.698 0.112 1.00 0.00 C ATOM 697 CG LEU A 49 4.833 10.654 0.741 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.074 9.504 -0.225 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.151 11.290 1.157 1.00 0.00 C ATOM 0 H LEU A 49 2.209 11.183 1.819 1.00 0.00 H new ATOM 0 HA LEU A 49 4.176 13.171 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.068 11.179 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.452 12.198 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 49 4.348 10.257 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.734 8.771 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.123 9.032 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.538 9.884 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.796 10.533 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.642 11.715 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.961 12.078 1.885 1.00 0.00 H new ATOM 711 N HIS A 50 1.720 13.573 -0.536 1.00 0.00 N ATOM 712 CA HIS A 50 1.035 14.567 -1.354 1.00 0.00 C ATOM 713 C HIS A 50 0.858 15.874 -0.587 1.00 0.00 C ATOM 714 O HIS A 50 0.882 16.957 -1.171 1.00 0.00 O ATOM 715 CB HIS A 50 -0.327 14.038 -1.804 1.00 0.00 C ATOM 716 CG HIS A 50 -0.913 14.795 -2.956 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.334 14.829 -4.207 1.00 0.00 N ATOM 718 CD2 HIS A 50 -2.034 15.549 -3.042 1.00 0.00 C ATOM 719 CE1 HIS A 50 -1.073 15.571 -5.012 1.00 0.00 C ATOM 720 NE2 HIS A 50 -2.111 16.020 -4.329 1.00 0.00 N ATOM 0 H HIS A 50 1.354 12.626 -0.629 1.00 0.00 H new ATOM 0 HA HIS A 50 1.649 14.762 -2.233 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.226 12.989 -2.083 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.019 14.079 -0.963 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.737 15.744 -2.246 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.864 15.776 -6.052 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.849 16.619 -4.698 1.00 0.00 H new ATOM 729 N VAL A 51 0.680 15.764 0.726 1.00 0.00 N ATOM 730 CA VAL A 51 0.500 16.937 1.574 1.00 0.00 C ATOM 731 C VAL A 51 1.804 17.712 1.724 1.00 0.00 C ATOM 732 O VAL A 51 1.853 18.918 1.480 1.00 0.00 O ATOM 733 CB VAL A 51 -0.015 16.545 2.971 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.056 17.760 3.886 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.388 15.897 2.870 1.00 0.00 C ATOM 0 H VAL A 51 0.657 14.875 1.225 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.241 17.570 1.086 1.00 0.00 H new ATOM 0 HB VAL A 51 0.674 15.819 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.423 17.463 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.947 18.176 3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.722 18.512 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.737 15.626 3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.089 16.599 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.323 15.001 2.253 1.00 0.00 H new ATOM 745 N VAL A 52 2.860 17.012 2.126 1.00 0.00 N ATOM 746 CA VAL A 52 4.166 17.635 2.308 1.00 0.00 C ATOM 747 C VAL A 52 4.761 18.062 0.971 1.00 0.00 C ATOM 748 O VAL A 52 5.698 18.859 0.922 1.00 0.00 O ATOM 749 CB VAL A 52 5.148 16.681 3.014 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.536 17.301 3.084 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.642 16.329 4.405 1.00 0.00 C ATOM 0 H VAL A 52 2.837 16.013 2.332 1.00 0.00 H new ATOM 0 HA VAL A 52 4.014 18.515 2.932 1.00 0.00 H new ATOM 0 HB VAL A 52 5.215 15.761 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.217 16.613 3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.898 17.498 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.489 18.236 3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.348 15.654 4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.545 17.239 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.670 15.842 4.326 1.00 0.00 H new ATOM 761 N LYS A 53 4.212 17.526 -0.114 1.00 0.00 N ATOM 762 CA LYS A 53 4.686 17.852 -1.453 1.00 0.00 C ATOM 763 C LYS A 53 4.514 19.339 -1.744 1.00 0.00 C ATOM 764 O LYS A 53 5.489 20.089 -1.791 1.00 0.00 O ATOM 765 CB LYS A 53 3.933 17.026 -2.498 1.00 0.00 C ATOM 766 CG LYS A 53 4.468 15.613 -2.658 1.00 0.00 C ATOM 767 CD LYS A 53 3.983 14.976 -3.950 1.00 0.00 C ATOM 768 CE LYS A 53 4.777 15.472 -5.149 1.00 0.00 C ATOM 769 NZ LYS A 53 4.356 14.801 -6.409 1.00 0.00 N ATOM 0 H LYS A 53 3.437 16.863 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 53 5.748 17.610 -1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.880 16.977 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.986 17.537 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.558 15.632 -2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.152 15.005 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.071 13.892 -3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.926 15.201 -4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.647 16.549 -5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.839 15.294 -4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.178 14.340 -6.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.631 14.087 -6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.964 15.507 -7.064 1.00 0.00 H new ATOM 783 N TYR A 54 3.269 19.759 -1.938 1.00 0.00 N ATOM 784 CA TYR A 54 2.970 21.157 -2.225 1.00 0.00 C ATOM 785 C TYR A 54 2.168 21.787 -1.090 1.00 0.00 C ATOM 786 O TYR A 54 2.246 22.992 -0.856 1.00 0.00 O ATOM 787 CB TYR A 54 2.195 21.274 -3.539 1.00 0.00 C ATOM 788 CG TYR A 54 2.528 20.189 -4.538 1.00 0.00 C ATOM 789 CD1 TYR A 54 2.116 18.878 -4.332 1.00 0.00 C ATOM 790 CD2 TYR A 54 3.255 20.475 -5.687 1.00 0.00 C ATOM 791 CE1 TYR A 54 2.419 17.883 -5.242 1.00 0.00 C ATOM 792 CE2 TYR A 54 3.561 19.487 -6.602 1.00 0.00 C ATOM 793 CZ TYR A 54 3.141 18.193 -6.375 1.00 0.00 C ATOM 794 OH TYR A 54 3.445 17.205 -7.284 1.00 0.00 O ATOM 0 H TYR A 54 2.450 19.151 -1.902 1.00 0.00 H new ATOM 0 HA TYR A 54 3.914 21.693 -2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.127 21.243 -3.325 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.402 22.245 -3.988 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.549 18.633 -3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.586 21.487 -5.868 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.092 16.869 -5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.126 19.726 -7.491 1.00 0.00 H new ATOM 0 HH TYR A 54 3.957 17.589 -8.026 1.00 0.00 H new ATOM 804 N GLU A 55 1.398 20.960 -0.389 1.00 0.00 N ATOM 805 CA GLU A 55 0.582 21.436 0.722 1.00 0.00 C ATOM 806 C GLU A 55 1.400 21.508 2.007 1.00 0.00 C ATOM 807 O GLU A 55 0.848 21.595 3.104 1.00 0.00 O ATOM 808 CB GLU A 55 -0.627 20.520 0.924 1.00 0.00 C ATOM 809 CG GLU A 55 -1.847 20.935 0.119 1.00 0.00 C ATOM 810 CD GLU A 55 -2.259 22.371 0.383 1.00 0.00 C ATOM 811 OE1 GLU A 55 -2.166 22.809 1.548 1.00 0.00 O ATOM 812 OE2 GLU A 55 -2.674 23.055 -0.576 1.00 0.00 O ATOM 0 H GLU A 55 1.322 19.959 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 55 0.232 22.439 0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.351 19.502 0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.888 20.505 1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.636 20.811 -0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.679 20.272 0.359 1.00 0.00 H new ATOM 819 N ALA A 56 2.721 21.469 1.864 1.00 0.00 N ATOM 820 CA ALA A 56 3.616 21.531 3.012 1.00 0.00 C ATOM 821 C ALA A 56 3.056 22.446 4.096 1.00 0.00 C ATOM 822 O ALA A 56 2.302 23.374 3.808 1.00 0.00 O ATOM 823 CB ALA A 56 4.996 22.004 2.581 1.00 0.00 C ATOM 0 H ALA A 56 3.195 21.395 0.964 1.00 0.00 H new ATOM 0 HA ALA A 56 3.702 20.527 3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.654 22.045 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.406 21.310 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.918 22.996 2.137 1.00 0.00 H new ATOM 829 N GLN A 57 3.431 22.177 5.343 1.00 0.00 N ATOM 830 CA GLN A 57 2.964 22.976 6.470 1.00 0.00 C ATOM 831 C GLN A 57 4.085 23.852 7.017 1.00 0.00 C ATOM 832 O GLN A 57 4.047 25.076 6.894 1.00 0.00 O ATOM 833 CB GLN A 57 2.422 22.069 7.576 1.00 0.00 C ATOM 834 CG GLN A 57 1.438 21.023 7.078 1.00 0.00 C ATOM 835 CD GLN A 57 0.004 21.514 7.102 1.00 0.00 C ATOM 836 OE1 GLN A 57 -0.254 22.708 7.261 1.00 0.00 O ATOM 837 NE2 GLN A 57 -0.940 20.593 6.943 1.00 0.00 N ATOM 0 H GLN A 57 4.056 21.413 5.598 1.00 0.00 H new ATOM 0 HA GLN A 57 2.162 23.624 6.116 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.257 21.567 8.064 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.934 22.684 8.332 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.703 20.736 6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.522 20.128 7.694 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.682 19.615 6.814 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.923 20.864 6.950 1.00 0.00 H new ATOM 846 N GLY A 58 5.084 23.217 7.624 1.00 0.00 N ATOM 847 CA GLY A 58 6.202 23.954 8.182 1.00 0.00 C ATOM 848 C GLY A 58 7.437 23.092 8.355 1.00 0.00 C ATOM 849 O GLY A 58 7.336 21.913 8.694 1.00 0.00 O ATOM 0 H GLY A 58 5.138 22.205 7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.439 24.796 7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.914 24.369 9.148 1.00 0.00 H new ATOM 853 N ASP A 59 8.604 23.680 8.122 1.00 0.00 N ATOM 854 CA ASP A 59 9.864 22.958 8.253 1.00 0.00 C ATOM 855 C ASP A 59 9.801 21.960 9.405 1.00 0.00 C ATOM 856 O ASP A 59 10.359 20.866 9.325 1.00 0.00 O ATOM 857 CB ASP A 59 11.018 23.938 8.474 1.00 0.00 C ATOM 858 CG ASP A 59 11.525 24.537 7.176 1.00 0.00 C ATOM 859 OD1 ASP A 59 11.823 23.764 6.242 1.00 0.00 O ATOM 860 OD2 ASP A 59 11.622 25.779 7.095 1.00 0.00 O ATOM 0 H ASP A 59 8.704 24.655 7.841 1.00 0.00 H new ATOM 0 HA ASP A 59 10.037 22.408 7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.689 24.739 9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.836 23.424 8.978 1.00 0.00 H new ATOM 865 N LYS A 60 9.119 22.346 10.478 1.00 0.00 N ATOM 866 CA LYS A 60 8.981 21.486 11.648 1.00 0.00 C ATOM 867 C LYS A 60 7.940 20.398 11.404 1.00 0.00 C ATOM 868 O LYS A 60 8.218 19.212 11.574 1.00 0.00 O ATOM 869 CB LYS A 60 8.590 22.316 12.873 1.00 0.00 C ATOM 870 CG LYS A 60 8.271 21.478 14.099 1.00 0.00 C ATOM 871 CD LYS A 60 9.525 21.157 14.896 1.00 0.00 C ATOM 872 CE LYS A 60 9.186 20.507 16.229 1.00 0.00 C ATOM 873 NZ LYS A 60 8.375 21.408 17.095 1.00 0.00 N ATOM 0 H LYS A 60 8.653 23.249 10.562 1.00 0.00 H new ATOM 0 HA LYS A 60 9.943 21.008 11.832 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.404 23.000 13.113 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.722 22.927 12.625 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.563 22.013 14.732 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.787 20.551 13.792 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.165 20.491 14.317 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.091 22.072 15.070 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.637 19.582 16.053 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.107 20.238 16.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.447 21.096 18.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.731 22.382 17.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.380 21.376 16.794 1.00 0.00 H new ATOM 887 N ALA A 61 6.742 20.811 11.005 1.00 0.00 N ATOM 888 CA ALA A 61 5.661 19.871 10.735 1.00 0.00 C ATOM 889 C ALA A 61 6.091 18.816 9.722 1.00 0.00 C ATOM 890 O ALA A 61 5.951 17.616 9.962 1.00 0.00 O ATOM 891 CB ALA A 61 4.429 20.613 10.236 1.00 0.00 C ATOM 0 H ALA A 61 6.495 21.790 10.861 1.00 0.00 H new ATOM 0 HA ALA A 61 5.414 19.363 11.667 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.629 19.899 10.038 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.101 21.324 10.994 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.673 21.148 9.318 1.00 0.00 H new ATOM 897 N LYS A 62 6.616 19.270 8.588 1.00 0.00 N ATOM 898 CA LYS A 62 7.068 18.365 7.538 1.00 0.00 C ATOM 899 C LYS A 62 7.651 17.088 8.134 1.00 0.00 C ATOM 900 O LYS A 62 7.063 16.013 8.015 1.00 0.00 O ATOM 901 CB LYS A 62 8.114 19.054 6.659 1.00 0.00 C ATOM 902 CG LYS A 62 7.515 19.858 5.518 1.00 0.00 C ATOM 903 CD LYS A 62 8.419 21.010 5.113 1.00 0.00 C ATOM 904 CE LYS A 62 7.634 22.126 4.440 1.00 0.00 C ATOM 905 NZ LYS A 62 8.427 23.383 4.345 1.00 0.00 N ATOM 0 H LYS A 62 6.739 20.260 8.373 1.00 0.00 H new ATOM 0 HA LYS A 62 6.206 18.099 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.719 19.715 7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.785 18.300 6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.349 19.206 4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.541 20.246 5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.927 21.402 5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.191 20.647 4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.336 21.809 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.719 22.316 5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.857 24.119 3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.690 23.700 5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.288 23.209 3.788 1.00 0.00 H new ATOM 919 N GLN A 63 8.808 17.214 8.775 1.00 0.00 N ATOM 920 CA GLN A 63 9.469 16.068 9.390 1.00 0.00 C ATOM 921 C GLN A 63 8.467 15.206 10.150 1.00 0.00 C ATOM 922 O GLN A 63 8.371 14.000 9.921 1.00 0.00 O ATOM 923 CB GLN A 63 10.576 16.538 10.335 1.00 0.00 C ATOM 924 CG GLN A 63 11.814 17.048 9.615 1.00 0.00 C ATOM 925 CD GLN A 63 12.789 17.738 10.548 1.00 0.00 C ATOM 926 OE1 GLN A 63 13.941 17.323 10.679 1.00 0.00 O ATOM 927 NE2 GLN A 63 12.332 18.799 11.203 1.00 0.00 N ATOM 0 H GLN A 63 9.307 18.097 8.882 1.00 0.00 H new ATOM 0 HA GLN A 63 9.911 15.465 8.596 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.185 17.330 10.974 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.860 15.713 10.988 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.315 16.213 9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.513 17.743 8.831 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.370 19.109 11.064 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.943 19.304 11.845 1.00 0.00 H new ATOM 936 N SER A 64 7.723 15.831 11.057 1.00 0.00 N ATOM 937 CA SER A 64 6.731 15.120 11.855 1.00 0.00 C ATOM 938 C SER A 64 6.046 14.036 11.029 1.00 0.00 C ATOM 939 O SER A 64 6.073 12.857 11.386 1.00 0.00 O ATOM 940 CB SER A 64 5.689 16.097 12.401 1.00 0.00 C ATOM 941 OG SER A 64 4.606 16.245 11.498 1.00 0.00 O ATOM 0 H SER A 64 7.789 16.829 11.258 1.00 0.00 H new ATOM 0 HA SER A 64 7.245 14.645 12.691 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.319 15.740 13.362 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.153 17.067 12.579 1.00 0.00 H new ATOM 0 HG SER A 64 4.765 17.021 10.922 1.00 0.00 H new ATOM 947 N ILE A 65 5.432 14.443 9.923 1.00 0.00 N ATOM 948 CA ILE A 65 4.740 13.508 9.045 1.00 0.00 C ATOM 949 C ILE A 65 5.717 12.523 8.412 1.00 0.00 C ATOM 950 O ILE A 65 5.450 11.322 8.349 1.00 0.00 O ATOM 951 CB ILE A 65 3.974 14.243 7.929 1.00 0.00 C ATOM 952 CG1 ILE A 65 2.950 15.206 8.533 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.292 13.244 7.007 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.623 16.380 7.637 1.00 0.00 C ATOM 0 H ILE A 65 5.400 15.414 9.614 1.00 0.00 H new ATOM 0 HA ILE A 65 4.027 12.963 9.664 1.00 0.00 H new ATOM 0 HB ILE A 65 4.686 14.822 7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.033 14.659 8.750 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.331 15.580 9.483 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.755 13.779 6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.042 12.596 6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.589 12.640 7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.891 17.020 8.129 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.530 16.951 7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.212 16.016 6.696 1.00 0.00 H new ATOM 966 N ARG A 66 6.849 13.038 7.945 1.00 0.00 N ATOM 967 CA ARG A 66 7.867 12.204 7.318 1.00 0.00 C ATOM 968 C ARG A 66 8.218 11.014 8.206 1.00 0.00 C ATOM 969 O ARG A 66 8.314 9.882 7.734 1.00 0.00 O ATOM 970 CB ARG A 66 9.123 13.027 7.028 1.00 0.00 C ATOM 971 CG ARG A 66 8.888 14.182 6.068 1.00 0.00 C ATOM 972 CD ARG A 66 10.135 14.496 5.258 1.00 0.00 C ATOM 973 NE ARG A 66 11.195 15.069 6.085 1.00 0.00 N ATOM 974 CZ ARG A 66 12.318 15.578 5.591 1.00 0.00 C ATOM 975 NH1 ARG A 66 12.526 15.587 4.281 1.00 0.00 N ATOM 976 NH2 ARG A 66 13.235 16.081 6.407 1.00 0.00 N ATOM 0 H ARG A 66 7.085 14.029 7.989 1.00 0.00 H new ATOM 0 HA ARG A 66 7.464 11.827 6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.514 13.420 7.967 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.889 12.371 6.613 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.068 13.935 5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.585 15.066 6.628 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.498 13.584 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.882 15.193 4.459 1.00 0.00 H new ATOM 0 HE ARG A 66 11.065 15.079 7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.823 15.202 3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.389 15.979 3.904 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.078 16.077 7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.097 16.472 6.027 1.00 0.00 H new ATOM 990 N ALA A 67 8.409 11.280 9.494 1.00 0.00 N ATOM 991 CA ALA A 67 8.749 10.231 10.448 1.00 0.00 C ATOM 992 C ALA A 67 7.715 9.111 10.423 1.00 0.00 C ATOM 993 O ALA A 67 8.059 7.932 10.509 1.00 0.00 O ATOM 994 CB ALA A 67 8.867 10.812 11.850 1.00 0.00 C ATOM 0 H ALA A 67 8.334 12.212 9.901 1.00 0.00 H new ATOM 0 HA ALA A 67 9.711 9.808 10.159 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.121 10.018 12.553 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.647 11.573 11.864 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.917 11.262 12.139 1.00 0.00 H new ATOM 1000 N LYS A 68 6.445 9.486 10.305 1.00 0.00 N ATOM 1001 CA LYS A 68 5.360 8.513 10.268 1.00 0.00 C ATOM 1002 C LYS A 68 5.402 7.699 8.979 1.00 0.00 C ATOM 1003 O LYS A 68 5.209 6.483 8.994 1.00 0.00 O ATOM 1004 CB LYS A 68 4.009 9.220 10.394 1.00 0.00 C ATOM 1005 CG LYS A 68 3.535 9.378 11.828 1.00 0.00 C ATOM 1006 CD LYS A 68 4.462 10.281 12.625 1.00 0.00 C ATOM 1007 CE LYS A 68 4.450 9.926 14.104 1.00 0.00 C ATOM 1008 NZ LYS A 68 3.126 10.196 14.729 1.00 0.00 N ATOM 0 H LYS A 68 6.142 10.457 10.233 1.00 0.00 H new ATOM 0 HA LYS A 68 5.487 7.833 11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.080 10.205 9.933 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.261 8.659 9.833 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.527 9.792 11.835 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.481 8.399 12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.477 10.195 12.237 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.159 11.320 12.497 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.701 8.872 14.227 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.219 10.499 14.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.159 9.941 15.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.897 11.206 14.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.395 9.630 14.253 1.00 0.00 H new ATOM 1022 N CYS A 69 5.657 8.378 7.865 1.00 0.00 N ATOM 1023 CA CYS A 69 5.725 7.717 6.566 1.00 0.00 C ATOM 1024 C CYS A 69 6.725 6.566 6.594 1.00 0.00 C ATOM 1025 O CYS A 69 6.423 5.455 6.158 1.00 0.00 O ATOM 1026 CB CYS A 69 6.113 8.721 5.480 1.00 0.00 C ATOM 1027 SG CYS A 69 4.725 9.684 4.834 1.00 0.00 S ATOM 0 H CYS A 69 5.820 9.384 7.835 1.00 0.00 H new ATOM 0 HA CYS A 69 4.739 7.311 6.339 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.860 9.405 5.883 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.584 8.185 4.656 1.00 0.00 H new ATOM 0 HG CYS A 69 5.154 10.506 3.923 1.00 0.00 H new ATOM 1033 N THR A 70 7.921 6.840 7.107 1.00 0.00 N ATOM 1034 CA THR A 70 8.968 5.829 7.188 1.00 0.00 C ATOM 1035 C THR A 70 8.564 4.694 8.122 1.00 0.00 C ATOM 1036 O THR A 70 8.831 3.526 7.844 1.00 0.00 O ATOM 1037 CB THR A 70 10.296 6.435 7.679 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.771 7.403 6.737 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.346 5.351 7.873 1.00 0.00 C ATOM 0 H THR A 70 8.188 7.754 7.473 1.00 0.00 H new ATOM 0 HA THR A 70 9.107 5.435 6.181 1.00 0.00 H new ATOM 0 HB THR A 70 10.116 6.920 8.638 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.615 7.785 7.058 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.275 5.803 8.220 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.994 4.632 8.612 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.522 4.841 6.926 1.00 0.00 H new ATOM 1047 N GLU A 71 7.919 5.046 9.230 1.00 0.00 N ATOM 1048 CA GLU A 71 7.479 4.055 10.205 1.00 0.00 C ATOM 1049 C GLU A 71 6.429 3.127 9.601 1.00 0.00 C ATOM 1050 O GLU A 71 6.634 1.916 9.507 1.00 0.00 O ATOM 1051 CB GLU A 71 6.912 4.745 11.447 1.00 0.00 C ATOM 1052 CG GLU A 71 6.399 3.777 12.500 1.00 0.00 C ATOM 1053 CD GLU A 71 7.460 2.794 12.955 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.581 3.239 13.278 1.00 0.00 O ATOM 1055 OE2 GLU A 71 7.170 1.580 12.987 1.00 0.00 O ATOM 0 H GLU A 71 7.690 6.009 9.475 1.00 0.00 H new ATOM 0 HA GLU A 71 8.344 3.458 10.494 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.686 5.373 11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.099 5.406 11.146 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.038 4.340 13.361 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.548 3.227 12.099 1.00 0.00 H new ATOM 1062 N TYR A 72 5.304 3.703 9.193 1.00 0.00 N ATOM 1063 CA TYR A 72 4.219 2.929 8.601 1.00 0.00 C ATOM 1064 C TYR A 72 4.717 2.117 7.409 1.00 0.00 C ATOM 1065 O TYR A 72 4.197 1.039 7.116 1.00 0.00 O ATOM 1066 CB TYR A 72 3.084 3.855 8.162 1.00 0.00 C ATOM 1067 CG TYR A 72 2.546 4.724 9.276 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.397 4.224 10.564 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.187 6.046 9.041 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.906 5.014 11.585 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.697 6.844 10.057 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.558 6.324 11.327 1.00 0.00 C ATOM 1073 OH TYR A 72 1.068 7.115 12.340 1.00 0.00 O ATOM 0 H TYR A 72 5.119 4.704 9.261 1.00 0.00 H new ATOM 0 HA TYR A 72 3.844 2.239 9.357 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.440 4.494 7.354 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.271 3.252 7.758 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.670 3.200 10.770 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.293 6.456 8.048 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.795 4.609 12.580 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.424 7.870 9.858 1.00 0.00 H new ATOM 0 HH TYR A 72 0.873 8.010 11.991 1.00 0.00 H new ATOM 1083 N LEU A 73 5.729 2.640 6.726 1.00 0.00 N ATOM 1084 CA LEU A 73 6.300 1.965 5.566 1.00 0.00 C ATOM 1085 C LEU A 73 7.026 0.689 5.982 1.00 0.00 C ATOM 1086 O LEU A 73 6.960 -0.328 5.291 1.00 0.00 O ATOM 1087 CB LEU A 73 7.264 2.898 4.831 1.00 0.00 C ATOM 1088 CG LEU A 73 6.626 3.894 3.862 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.623 4.973 3.472 1.00 0.00 C ATOM 1090 CD2 LEU A 73 6.105 3.175 2.626 1.00 0.00 C ATOM 0 H LEU A 73 6.171 3.530 6.956 1.00 0.00 H new ATOM 0 HA LEU A 73 5.484 1.695 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.833 3.458 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.977 2.288 4.276 1.00 0.00 H new ATOM 0 HG LEU A 73 5.784 4.371 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.151 5.672 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.948 5.507 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.486 4.514 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.654 3.899 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.930 2.671 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.357 2.439 2.921 1.00 0.00 H new ATOM 1102 N ASP A 74 7.718 0.751 7.114 1.00 0.00 N ATOM 1103 CA ASP A 74 8.454 -0.400 7.624 1.00 0.00 C ATOM 1104 C ASP A 74 7.498 -1.490 8.098 1.00 0.00 C ATOM 1105 O ASP A 74 7.614 -2.649 7.698 1.00 0.00 O ATOM 1106 CB ASP A 74 9.374 0.023 8.771 1.00 0.00 C ATOM 1107 CG ASP A 74 10.283 -1.101 9.228 1.00 0.00 C ATOM 1108 OD1 ASP A 74 9.760 -2.171 9.602 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.517 -0.909 9.214 1.00 0.00 O ATOM 0 H ASP A 74 7.785 1.586 7.696 1.00 0.00 H new ATOM 0 HA ASP A 74 9.060 -0.801 6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.981 0.871 8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.769 0.362 9.612 1.00 0.00 H new ATOM 1114 N ARG A 75 6.554 -1.111 8.954 1.00 0.00 N ATOM 1115 CA ARG A 75 5.579 -2.057 9.484 1.00 0.00 C ATOM 1116 C ARG A 75 4.904 -2.831 8.356 1.00 0.00 C ATOM 1117 O ARG A 75 4.791 -4.056 8.411 1.00 0.00 O ATOM 1118 CB ARG A 75 4.526 -1.324 10.316 1.00 0.00 C ATOM 1119 CG ARG A 75 3.355 -2.201 10.726 1.00 0.00 C ATOM 1120 CD ARG A 75 3.806 -3.362 11.599 1.00 0.00 C ATOM 1121 NE ARG A 75 2.751 -3.809 12.504 1.00 0.00 N ATOM 1122 CZ ARG A 75 2.406 -3.158 13.609 1.00 0.00 C ATOM 1123 NH1 ARG A 75 3.029 -2.037 13.944 1.00 0.00 N ATOM 1124 NH2 ARG A 75 1.435 -3.629 14.382 1.00 0.00 N ATOM 0 H ARG A 75 6.444 -0.156 9.295 1.00 0.00 H new ATOM 0 HA ARG A 75 6.107 -2.766 10.122 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.999 -0.922 11.212 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.151 -0.475 9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.622 -1.602 11.266 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.858 -2.586 9.835 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.116 -4.193 10.965 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.678 -3.061 12.180 1.00 0.00 H new ATOM 0 HE ARG A 75 2.252 -4.668 12.275 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.776 -1.672 13.353 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.762 -1.539 14.793 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.953 -4.491 14.127 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.171 -3.129 15.231 1.00 0.00 H new ATOM 1138 N ALA A 76 4.455 -2.109 7.335 1.00 0.00 N ATOM 1139 CA ALA A 76 3.792 -2.727 6.194 1.00 0.00 C ATOM 1140 C ALA A 76 4.717 -3.715 5.491 1.00 0.00 C ATOM 1141 O ALA A 76 4.332 -4.850 5.214 1.00 0.00 O ATOM 1142 CB ALA A 76 3.315 -1.661 5.219 1.00 0.00 C ATOM 0 H ALA A 76 4.539 -1.094 7.275 1.00 0.00 H new ATOM 0 HA ALA A 76 2.927 -3.279 6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.822 -2.137 4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.612 -0.997 5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.169 -1.084 4.864 1.00 0.00 H new ATOM 1148 N GLU A 77 5.938 -3.274 5.204 1.00 0.00 N ATOM 1149 CA GLU A 77 6.916 -4.120 4.532 1.00 0.00 C ATOM 1150 C GLU A 77 6.866 -5.546 5.072 1.00 0.00 C ATOM 1151 O GLU A 77 6.868 -6.513 4.310 1.00 0.00 O ATOM 1152 CB GLU A 77 8.324 -3.547 4.705 1.00 0.00 C ATOM 1153 CG GLU A 77 8.688 -2.502 3.664 1.00 0.00 C ATOM 1154 CD GLU A 77 9.305 -3.109 2.418 1.00 0.00 C ATOM 1155 OE1 GLU A 77 10.483 -3.518 2.480 1.00 0.00 O ATOM 1156 OE2 GLU A 77 8.610 -3.174 1.383 1.00 0.00 O ATOM 0 H GLU A 77 6.273 -2.336 5.426 1.00 0.00 H new ATOM 0 HA GLU A 77 6.669 -4.143 3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.407 -3.104 5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.047 -4.361 4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.794 -1.944 3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.387 -1.788 4.100 1.00 0.00 H new ATOM 1163 N LYS A 78 6.821 -5.670 6.395 1.00 0.00 N ATOM 1164 CA LYS A 78 6.770 -6.976 7.040 1.00 0.00 C ATOM 1165 C LYS A 78 5.462 -7.692 6.716 1.00 0.00 C ATOM 1166 O LYS A 78 5.465 -8.837 6.263 1.00 0.00 O ATOM 1167 CB LYS A 78 6.919 -6.825 8.556 1.00 0.00 C ATOM 1168 CG LYS A 78 8.161 -6.056 8.971 1.00 0.00 C ATOM 1169 CD LYS A 78 9.421 -6.883 8.774 1.00 0.00 C ATOM 1170 CE LYS A 78 10.669 -6.090 9.132 1.00 0.00 C ATOM 1171 NZ LYS A 78 11.021 -5.103 8.074 1.00 0.00 N ATOM 0 H LYS A 78 6.819 -4.881 7.041 1.00 0.00 H new ATOM 0 HA LYS A 78 7.596 -7.575 6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.039 -6.317 8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.946 -7.815 9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.233 -5.137 8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.076 -5.764 10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.369 -7.780 9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.483 -7.213 7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.510 -5.569 10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.504 -6.775 9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.877 -4.583 8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.198 -5.602 7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.235 -4.434 7.948 1.00 0.00 H new ATOM 1185 N LEU A 79 4.346 -7.010 6.949 1.00 0.00 N ATOM 1186 CA LEU A 79 3.031 -7.580 6.680 1.00 0.00 C ATOM 1187 C LEU A 79 3.018 -8.312 5.342 1.00 0.00 C ATOM 1188 O LEU A 79 2.333 -9.322 5.181 1.00 0.00 O ATOM 1189 CB LEU A 79 1.966 -6.481 6.684 1.00 0.00 C ATOM 1190 CG LEU A 79 1.673 -5.835 8.039 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.655 -4.716 7.887 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.179 -6.878 9.031 1.00 0.00 C ATOM 0 H LEU A 79 4.326 -6.062 7.324 1.00 0.00 H new ATOM 0 HA LEU A 79 2.806 -8.298 7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.277 -5.699 5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.038 -6.901 6.296 1.00 0.00 H new ATOM 0 HG LEU A 79 2.598 -5.406 8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.459 -4.268 8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.047 -3.957 7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.272 -5.120 7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.975 -6.401 9.990 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.265 -7.336 8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.942 -7.645 9.162 1.00 0.00 H new ATOM 1204 N LYS A 80 3.781 -7.797 4.384 1.00 0.00 N ATOM 1205 CA LYS A 80 3.861 -8.402 3.060 1.00 0.00 C ATOM 1206 C LYS A 80 4.659 -9.702 3.104 1.00 0.00 C ATOM 1207 O LYS A 80 4.170 -10.754 2.695 1.00 0.00 O ATOM 1208 CB LYS A 80 4.504 -7.429 2.070 1.00 0.00 C ATOM 1209 CG LYS A 80 3.828 -6.070 2.027 1.00 0.00 C ATOM 1210 CD LYS A 80 4.207 -5.298 0.774 1.00 0.00 C ATOM 1211 CE LYS A 80 4.118 -3.796 0.997 1.00 0.00 C ATOM 1212 NZ LYS A 80 5.141 -3.318 1.968 1.00 0.00 N ATOM 0 H LYS A 80 4.354 -6.961 4.500 1.00 0.00 H new ATOM 0 HA LYS A 80 2.848 -8.629 2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.553 -7.295 2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.480 -7.869 1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.746 -6.199 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.109 -5.495 2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.221 -5.563 0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.548 -5.585 -0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.250 -3.279 0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.123 -3.541 1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.345 -2.314 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.780 -3.433 2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.013 -3.873 1.855 1.00 0.00 H new ATOM 1226 N GLU A 81 5.889 -9.619 3.603 1.00 0.00 N ATOM 1227 CA GLU A 81 6.753 -10.790 3.699 1.00 0.00 C ATOM 1228 C GLU A 81 6.108 -11.873 4.559 1.00 0.00 C ATOM 1229 O GLU A 81 6.494 -13.041 4.499 1.00 0.00 O ATOM 1230 CB GLU A 81 8.112 -10.401 4.284 1.00 0.00 C ATOM 1231 CG GLU A 81 8.154 -10.438 5.803 1.00 0.00 C ATOM 1232 CD GLU A 81 9.548 -10.208 6.353 1.00 0.00 C ATOM 1233 OE1 GLU A 81 10.482 -10.915 5.921 1.00 0.00 O ATOM 1234 OE2 GLU A 81 9.705 -9.319 7.217 1.00 0.00 O ATOM 0 H GLU A 81 6.309 -8.755 3.946 1.00 0.00 H new ATOM 0 HA GLU A 81 6.898 -11.187 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.873 -11.075 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.370 -9.397 3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.481 -9.678 6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.785 -11.403 6.150 1.00 0.00 H new ATOM 1241 N TYR A 82 5.125 -11.477 5.359 1.00 0.00 N ATOM 1242 CA TYR A 82 4.428 -12.412 6.234 1.00 0.00 C ATOM 1243 C TYR A 82 3.252 -13.062 5.511 1.00 0.00 C ATOM 1244 O TYR A 82 3.062 -14.277 5.577 1.00 0.00 O ATOM 1245 CB TYR A 82 3.934 -11.695 7.492 1.00 0.00 C ATOM 1246 CG TYR A 82 2.710 -12.332 8.111 1.00 0.00 C ATOM 1247 CD1 TYR A 82 1.433 -11.980 7.693 1.00 0.00 C ATOM 1248 CD2 TYR A 82 2.832 -13.287 9.113 1.00 0.00 C ATOM 1249 CE1 TYR A 82 0.312 -12.559 8.257 1.00 0.00 C ATOM 1250 CE2 TYR A 82 1.717 -13.872 9.681 1.00 0.00 C ATOM 1251 CZ TYR A 82 0.459 -13.505 9.250 1.00 0.00 C ATOM 1252 OH TYR A 82 -0.655 -14.085 9.813 1.00 0.00 O ATOM 0 H TYR A 82 4.793 -10.515 5.420 1.00 0.00 H new ATOM 0 HA TYR A 82 5.131 -13.193 6.522 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.737 -11.678 8.229 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.707 -10.658 7.244 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.314 -11.241 6.914 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.815 -13.577 9.453 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.674 -12.272 7.922 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.830 -14.613 10.459 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.378 -14.731 10.496 1.00 0.00 H new ATOM 1262 N LEU A 83 2.466 -12.244 4.820 1.00 0.00 N ATOM 1263 CA LEU A 83 1.308 -12.737 4.082 1.00 0.00 C ATOM 1264 C LEU A 83 1.733 -13.719 2.995 1.00 0.00 C ATOM 1265 O LEU A 83 1.115 -14.769 2.814 1.00 0.00 O ATOM 1266 CB LEU A 83 0.540 -11.570 3.459 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.343 -10.764 4.411 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.752 -9.445 3.773 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.572 -11.569 4.810 1.00 0.00 C ATOM 0 H LEU A 83 2.609 -11.236 4.755 1.00 0.00 H new ATOM 0 HA LEU A 83 0.657 -13.259 4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.259 -10.891 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.087 -11.960 2.657 1.00 0.00 H new ATOM 0 HG LEU A 83 0.232 -10.546 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.380 -8.885 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.139 -8.862 3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.308 -9.641 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.189 -10.979 5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.148 -11.819 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.260 -12.486 5.309 1.00 0.00 H new ATOM 1281 N LYS A 84 2.794 -13.372 2.273 1.00 0.00 N ATOM 1282 CA LYS A 84 3.305 -14.224 1.206 1.00 0.00 C ATOM 1283 C LYS A 84 3.836 -15.539 1.766 1.00 0.00 C ATOM 1284 O LYS A 84 4.103 -16.480 1.019 1.00 0.00 O ATOM 1285 CB LYS A 84 4.413 -13.501 0.436 1.00 0.00 C ATOM 1286 CG LYS A 84 5.681 -13.295 1.245 1.00 0.00 C ATOM 1287 CD LYS A 84 6.843 -12.868 0.363 1.00 0.00 C ATOM 1288 CE LYS A 84 6.602 -11.497 -0.251 1.00 0.00 C ATOM 1289 NZ LYS A 84 7.614 -11.171 -1.293 1.00 0.00 N ATOM 0 H LYS A 84 3.316 -12.506 2.408 1.00 0.00 H new ATOM 0 HA LYS A 84 2.482 -14.446 0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.653 -14.072 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.041 -12.531 0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.507 -12.538 2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.937 -14.219 1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.760 -12.848 0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.989 -13.602 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.605 -11.466 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.629 -10.739 0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.415 -10.229 -1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.563 -11.176 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.571 -11.880 -2.052 1.00 0.00 H new