USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 644 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 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 ASN : amide:sc= -2.1 X(o=-2.1,f=-1.8) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0341 K(o=-0.034,f=-1.4) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.774 USER MOD Single : A 38 SER OG : rot -86:sc= 0.328 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -4.69! C(o=-4.7!,f=-6.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 61:sc= 0.193 USER MOD Single : A 83 TYR OH : rot 180:sc= 0.429 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= -0.757 K(o=-0.76,f=-2.3!) USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= -0.0222 (180deg=-0.195) USER MOD Single : A 98 SER OG : rot 73:sc= 1.14 USER MOD Single : A 100 GLN : amide:sc= -0.0791 K(o=-0.079,f=-1.7!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 164:sc= 1.52 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 11 -0.489 -11.354 7.454 1.00 0.00 N ATOM 116 CA ARG A 11 -1.020 -10.264 8.263 1.00 0.00 C ATOM 117 C ARG A 11 -0.319 -8.950 7.933 1.00 0.00 C ATOM 118 O ARG A 11 0.734 -8.939 7.293 1.00 0.00 O ATOM 119 CB ARG A 11 -0.859 -10.580 9.751 1.00 0.00 C ATOM 120 CG ARG A 11 -1.506 -11.891 10.169 1.00 0.00 C ATOM 121 CD ARG A 11 -2.949 -11.686 10.603 1.00 0.00 C ATOM 122 NE ARG A 11 -3.051 -10.807 11.765 1.00 0.00 N ATOM 123 CZ ARG A 11 -2.929 -11.230 13.019 1.00 0.00 C ATOM 124 NH1 ARG A 11 -2.700 -12.511 13.271 1.00 0.00 N ATOM 125 NH2 ARG A 11 -3.034 -10.369 14.023 1.00 0.00 N ATOM 0 HA ARG A 11 -2.080 -10.158 8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.203 -10.615 9.993 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.292 -9.768 10.335 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.471 -12.596 9.339 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.938 -12.334 10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.519 -11.262 9.777 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.398 -12.651 10.838 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.225 -9.815 11.605 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.617 -13.175 12.501 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.607 -12.833 14.235 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.208 -9.382 13.833 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.940 -10.694 14.985 1.00 0.00 H new ATOM 139 N LEU A 12 -0.909 -7.844 8.372 1.00 0.00 N ATOM 140 CA LEU A 12 -0.342 -6.523 8.123 1.00 0.00 C ATOM 141 C LEU A 12 0.473 -6.046 9.321 1.00 0.00 C ATOM 142 O LEU A 12 0.369 -6.599 10.415 1.00 0.00 O ATOM 143 CB LEU A 12 -1.454 -5.519 7.815 1.00 0.00 C ATOM 144 CG LEU A 12 -1.968 -5.508 6.375 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.429 -5.089 6.333 1.00 0.00 C ATOM 146 CD2 LEU A 12 -1.121 -4.582 5.513 1.00 0.00 C ATOM 0 H LEU A 12 -1.780 -7.835 8.902 1.00 0.00 H new ATOM 0 HA LEU A 12 0.322 -6.596 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.295 -5.723 8.478 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.092 -4.520 8.058 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.889 -6.518 5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.777 -5.087 5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.026 -5.791 6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.533 -4.088 6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.501 -4.587 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.168 -3.569 5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.087 -4.926 5.517 1.00 0.00 H new ATOM 158 N SER A 13 1.281 -5.013 9.106 1.00 0.00 N ATOM 159 CA SER A 13 2.115 -4.461 10.168 1.00 0.00 C ATOM 160 C SER A 13 1.584 -3.107 10.627 1.00 0.00 C ATOM 161 O SER A 13 0.628 -2.579 10.060 1.00 0.00 O ATOM 162 CB SER A 13 3.561 -4.319 9.688 1.00 0.00 C ATOM 163 OG SER A 13 4.471 -4.461 10.764 1.00 0.00 O ATOM 0 H SER A 13 1.376 -4.541 8.207 1.00 0.00 H new ATOM 0 HA SER A 13 2.086 -5.148 11.013 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.771 -5.072 8.928 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.698 -3.345 9.218 1.00 0.00 H new ATOM 0 HG SER A 13 5.388 -4.368 10.431 1.00 0.00 H new ATOM 169 N GLN A 14 2.212 -2.550 11.658 1.00 0.00 N ATOM 170 CA GLN A 14 1.803 -1.258 12.194 1.00 0.00 C ATOM 171 C GLN A 14 1.727 -0.209 11.089 1.00 0.00 C ATOM 172 O GLN A 14 2.749 0.204 10.540 1.00 0.00 O ATOM 173 CB GLN A 14 2.778 -0.801 13.281 1.00 0.00 C ATOM 174 CG GLN A 14 4.212 -1.241 13.036 1.00 0.00 C ATOM 175 CD GLN A 14 5.216 -0.427 13.827 1.00 0.00 C ATOM 176 OE1 GLN A 14 4.843 0.440 14.618 1.00 0.00 O ATOM 177 NE2 GLN A 14 6.498 -0.702 13.618 1.00 0.00 N ATOM 0 H GLN A 14 3.006 -2.974 12.138 1.00 0.00 H new ATOM 0 HA GLN A 14 0.811 -1.372 12.630 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.747 0.286 13.351 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.446 -1.192 14.243 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.315 -2.294 13.300 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.438 -1.155 11.973 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.762 -1.429 12.953 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.219 -0.186 14.122 1.00 0.00 H new ATOM 186 N LEU A 15 0.510 0.217 10.767 1.00 0.00 N ATOM 187 CA LEU A 15 0.300 1.217 9.727 1.00 0.00 C ATOM 188 C LEU A 15 0.378 2.627 10.304 1.00 0.00 C ATOM 189 O LEU A 15 -0.555 3.093 10.959 1.00 0.00 O ATOM 190 CB LEU A 15 -1.056 1.004 9.053 1.00 0.00 C ATOM 191 CG LEU A 15 -1.576 2.166 8.206 1.00 0.00 C ATOM 192 CD1 LEU A 15 -0.747 2.317 6.940 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.044 1.962 7.864 1.00 0.00 C ATOM 0 H LEU A 15 -0.346 -0.115 11.212 1.00 0.00 H new ATOM 0 HA LEU A 15 1.090 1.104 8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.989 0.120 8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.793 0.786 9.826 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.484 3.084 8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.132 3.149 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.292 2.511 7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.806 1.399 6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.397 2.799 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.161 1.035 7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.627 1.906 8.783 1.00 0.00 H new ATOM 205 N SER A 16 1.495 3.303 10.054 1.00 0.00 N ATOM 206 CA SER A 16 1.695 4.660 10.550 1.00 0.00 C ATOM 207 C SER A 16 1.572 5.675 9.418 1.00 0.00 C ATOM 208 O SER A 16 1.676 5.327 8.242 1.00 0.00 O ATOM 209 CB SER A 16 3.066 4.785 11.216 1.00 0.00 C ATOM 210 OG SER A 16 3.027 4.322 12.555 1.00 0.00 O ATOM 0 H SER A 16 2.275 2.933 9.511 1.00 0.00 H new ATOM 0 HA SER A 16 0.921 4.869 11.288 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.802 4.212 10.651 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.389 5.826 11.197 1.00 0.00 H new ATOM 0 HG SER A 16 3.916 4.411 12.958 1.00 0.00 H new ATOM 216 N VAL A 17 1.349 6.934 9.783 1.00 0.00 N ATOM 217 CA VAL A 17 1.213 8.002 8.799 1.00 0.00 C ATOM 218 C VAL A 17 2.365 8.995 8.903 1.00 0.00 C ATOM 219 O VAL A 17 2.631 9.547 9.971 1.00 0.00 O ATOM 220 CB VAL A 17 -0.118 8.758 8.973 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.262 9.836 7.910 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.290 7.789 8.923 1.00 0.00 C ATOM 0 H VAL A 17 1.259 7.239 10.752 1.00 0.00 H new ATOM 0 HA VAL A 17 1.230 7.531 7.816 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.117 9.242 9.950 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.208 10.360 8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.561 10.545 7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.243 9.377 6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.223 8.339 9.048 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.297 7.276 7.961 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.191 7.057 9.724 1.00 0.00 H new ATOM 232 N THR A 18 3.048 9.219 7.784 1.00 0.00 N ATOM 233 CA THR A 18 4.173 10.144 7.748 1.00 0.00 C ATOM 234 C THR A 18 3.926 11.272 6.753 1.00 0.00 C ATOM 235 O THR A 18 3.027 11.188 5.916 1.00 0.00 O ATOM 236 CB THR A 18 5.482 9.424 7.375 1.00 0.00 C ATOM 237 OG1 THR A 18 5.557 9.248 5.955 1.00 0.00 O ATOM 238 CG2 THR A 18 5.570 8.070 8.063 1.00 0.00 C ATOM 0 H THR A 18 2.841 8.772 6.891 1.00 0.00 H new ATOM 0 HA THR A 18 4.270 10.561 8.750 1.00 0.00 H new ATOM 0 HB THR A 18 6.317 10.039 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.393 8.791 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.503 7.580 7.784 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.542 8.209 9.144 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.728 7.450 7.755 1.00 0.00 H new ATOM 246 N ASP A 19 4.728 12.327 6.850 1.00 0.00 N ATOM 247 CA ASP A 19 4.596 13.472 5.956 1.00 0.00 C ATOM 248 C ASP A 19 3.202 14.082 6.057 1.00 0.00 C ATOM 249 O ASP A 19 2.662 14.588 5.073 1.00 0.00 O ATOM 250 CB ASP A 19 4.881 13.054 4.513 1.00 0.00 C ATOM 251 CG ASP A 19 6.356 13.132 4.168 1.00 0.00 C ATOM 252 OD1 ASP A 19 7.184 12.723 5.009 1.00 0.00 O ATOM 253 OD2 ASP A 19 6.681 13.600 3.057 1.00 0.00 O ATOM 0 H ASP A 19 5.476 12.413 7.538 1.00 0.00 H new ATOM 0 HA ASP A 19 5.324 14.224 6.258 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.528 12.035 4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.318 13.694 3.834 1.00 0.00 H new ATOM 258 N VAL A 20 2.623 14.030 7.252 1.00 0.00 N ATOM 259 CA VAL A 20 1.292 14.578 7.481 1.00 0.00 C ATOM 260 C VAL A 20 1.153 15.964 6.862 1.00 0.00 C ATOM 261 O VAL A 20 1.660 16.950 7.398 1.00 0.00 O ATOM 262 CB VAL A 20 0.972 14.666 8.986 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.490 15.026 9.201 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.315 13.357 9.680 1.00 0.00 C ATOM 0 H VAL A 20 3.055 13.614 8.077 1.00 0.00 H new ATOM 0 HA VAL A 20 0.585 13.898 7.005 1.00 0.00 H new ATOM 0 HB VAL A 20 1.583 15.455 9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.697 15.084 10.270 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.699 15.991 8.738 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.123 14.262 8.749 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.083 13.437 10.742 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.731 12.548 9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.377 13.147 9.556 1.00 0.00 H new ATOM 274 N THR A 21 0.462 16.033 5.728 1.00 0.00 N ATOM 275 CA THR A 21 0.257 17.298 5.034 1.00 0.00 C ATOM 276 C THR A 21 -0.976 18.021 5.562 1.00 0.00 C ATOM 277 O THR A 21 -1.835 17.418 6.206 1.00 0.00 O ATOM 278 CB THR A 21 0.104 17.088 3.516 1.00 0.00 C ATOM 279 OG1 THR A 21 0.890 15.967 3.095 1.00 0.00 O ATOM 280 CG2 THR A 21 0.535 18.330 2.751 1.00 0.00 C ATOM 0 H THR A 21 0.035 15.227 5.271 1.00 0.00 H new ATOM 0 HA THR A 21 1.141 17.908 5.222 1.00 0.00 H new ATOM 0 HB THR A 21 -0.948 16.896 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.786 15.839 2.129 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.418 18.157 1.681 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.084 19.176 3.052 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.580 18.548 2.971 1.00 0.00 H new ATOM 288 N THR A 22 -1.060 19.319 5.285 1.00 0.00 N ATOM 289 CA THR A 22 -2.189 20.125 5.733 1.00 0.00 C ATOM 290 C THR A 22 -3.513 19.438 5.419 1.00 0.00 C ATOM 291 O THR A 22 -4.381 19.317 6.284 1.00 0.00 O ATOM 292 CB THR A 22 -2.178 21.519 5.078 1.00 0.00 C ATOM 293 OG1 THR A 22 -1.990 21.395 3.664 1.00 0.00 O ATOM 294 CG2 THR A 22 -1.076 22.386 5.667 1.00 0.00 C ATOM 0 H THR A 22 -0.359 19.834 4.752 1.00 0.00 H new ATOM 0 HA THR A 22 -2.089 20.238 6.812 1.00 0.00 H new ATOM 0 HB THR A 22 -3.138 21.996 5.276 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.986 22.286 3.255 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.089 23.365 5.188 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.239 22.504 6.738 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.110 21.911 5.497 1.00 0.00 H new ATOM 302 N SER A 23 -3.662 18.990 4.176 1.00 0.00 N ATOM 303 CA SER A 23 -4.883 18.318 3.748 1.00 0.00 C ATOM 304 C SER A 23 -4.564 16.973 3.101 1.00 0.00 C ATOM 305 O SER A 23 -5.354 16.446 2.317 1.00 0.00 O ATOM 306 CB SER A 23 -5.657 19.198 2.765 1.00 0.00 C ATOM 307 OG SER A 23 -4.830 19.615 1.693 1.00 0.00 O ATOM 0 H SER A 23 -2.953 19.080 3.449 1.00 0.00 H new ATOM 0 HA SER A 23 -5.499 18.141 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.513 18.647 2.375 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.050 20.071 3.286 1.00 0.00 H new ATOM 0 HG SER A 23 -5.349 20.175 1.078 1.00 0.00 H new ATOM 313 N SER A 24 -3.401 16.423 3.436 1.00 0.00 N ATOM 314 CA SER A 24 -2.975 15.142 2.886 1.00 0.00 C ATOM 315 C SER A 24 -1.988 14.450 3.821 1.00 0.00 C ATOM 316 O SER A 24 -1.638 14.981 4.876 1.00 0.00 O ATOM 317 CB SER A 24 -2.337 15.341 1.509 1.00 0.00 C ATOM 318 OG SER A 24 -3.237 15.973 0.616 1.00 0.00 O ATOM 0 H SER A 24 -2.737 16.845 4.086 1.00 0.00 H new ATOM 0 HA SER A 24 -3.856 14.508 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.434 15.944 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.034 14.376 1.102 1.00 0.00 H new ATOM 0 HG SER A 24 -2.805 16.090 -0.256 1.00 0.00 H new ATOM 324 N LEU A 25 -1.543 13.262 3.428 1.00 0.00 N ATOM 325 CA LEU A 25 -0.596 12.496 4.230 1.00 0.00 C ATOM 326 C LEU A 25 -0.133 11.250 3.482 1.00 0.00 C ATOM 327 O LEU A 25 -0.563 10.992 2.358 1.00 0.00 O ATOM 328 CB LEU A 25 -1.232 12.097 5.563 1.00 0.00 C ATOM 329 CG LEU A 25 -2.735 11.817 5.533 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.029 10.573 4.708 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.277 11.663 6.946 1.00 0.00 C ATOM 0 H LEU A 25 -1.823 12.808 2.558 1.00 0.00 H new ATOM 0 HA LEU A 25 0.272 13.126 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.724 11.206 5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.045 12.893 6.284 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.235 12.665 5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.103 10.389 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.676 10.722 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.518 9.716 5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.348 11.464 6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.772 10.833 7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.099 12.581 7.506 1.00 0.00 H new ATOM 343 N ARG A 26 0.746 10.479 4.115 1.00 0.00 N ATOM 344 CA ARG A 26 1.267 9.259 3.510 1.00 0.00 C ATOM 345 C ARG A 26 1.232 8.101 4.504 1.00 0.00 C ATOM 346 O ARG A 26 1.459 8.288 5.700 1.00 0.00 O ATOM 347 CB ARG A 26 2.699 9.480 3.019 1.00 0.00 C ATOM 348 CG ARG A 26 3.256 8.311 2.222 1.00 0.00 C ATOM 349 CD ARG A 26 4.770 8.392 2.100 1.00 0.00 C ATOM 350 NE ARG A 26 5.185 9.281 1.019 1.00 0.00 N ATOM 351 CZ ARG A 26 4.951 9.036 -0.265 1.00 0.00 C ATOM 352 NH1 ARG A 26 4.307 7.935 -0.627 1.00 0.00 N ATOM 353 NH2 ARG A 26 5.360 9.894 -1.191 1.00 0.00 N ATOM 0 H ARG A 26 1.112 10.678 5.046 1.00 0.00 H new ATOM 0 HA ARG A 26 0.633 9.005 2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.728 10.377 2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.344 9.664 3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.978 7.374 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.810 8.301 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.191 8.745 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.173 7.395 1.924 1.00 0.00 H new ATOM 0 HE ARG A 26 5.682 10.137 1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.990 7.273 0.082 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.129 7.750 -1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.855 10.743 -0.917 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.180 9.705 -2.177 1.00 0.00 H new ATOM 367 N LEU A 27 0.944 6.906 4.001 1.00 0.00 N ATOM 368 CA LEU A 27 0.878 5.717 4.844 1.00 0.00 C ATOM 369 C LEU A 27 2.013 4.752 4.514 1.00 0.00 C ATOM 370 O LEU A 27 2.595 4.810 3.432 1.00 0.00 O ATOM 371 CB LEU A 27 -0.470 5.016 4.667 1.00 0.00 C ATOM 372 CG LEU A 27 -1.652 5.636 5.414 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.962 5.285 4.726 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.667 5.175 6.864 1.00 0.00 C ATOM 0 H LEU A 27 0.752 6.734 3.014 1.00 0.00 H new ATOM 0 HA LEU A 27 0.983 6.032 5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.709 4.994 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.364 3.981 4.991 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.538 6.720 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.791 5.735 5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.950 5.666 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.085 4.202 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.514 5.626 7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.756 4.089 6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.741 5.479 7.352 1.00 0.00 H new ATOM 386 N ASN A 28 2.318 3.863 5.454 1.00 0.00 N ATOM 387 CA ASN A 28 3.382 2.884 5.262 1.00 0.00 C ATOM 388 C ASN A 28 3.148 1.650 6.128 1.00 0.00 C ATOM 389 O ASN A 28 3.141 1.734 7.357 1.00 0.00 O ATOM 390 CB ASN A 28 4.741 3.504 5.595 1.00 0.00 C ATOM 391 CG ASN A 28 5.030 4.741 4.767 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.553 4.648 3.656 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.691 5.906 5.305 1.00 0.00 N ATOM 0 H ASN A 28 1.844 3.800 6.355 1.00 0.00 H new ATOM 0 HA ASN A 28 3.376 2.579 4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.769 3.764 6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.525 2.766 5.427 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.862 6.772 4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.260 5.935 6.229 1.00 0.00 H new ATOM 400 N TRP A 29 2.956 0.507 5.480 1.00 0.00 N ATOM 401 CA TRP A 29 2.722 -0.745 6.191 1.00 0.00 C ATOM 402 C TRP A 29 3.626 -1.851 5.658 1.00 0.00 C ATOM 403 O TRP A 29 3.904 -1.913 4.461 1.00 0.00 O ATOM 404 CB TRP A 29 1.256 -1.161 6.063 1.00 0.00 C ATOM 405 CG TRP A 29 0.818 -1.366 4.644 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.850 -2.534 3.937 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.285 -0.374 3.760 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.369 -2.328 2.667 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.015 -1.012 2.534 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.007 0.989 3.886 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.518 -0.330 1.442 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.521 1.665 2.802 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.780 1.005 1.594 1.00 0.00 C ATOM 0 H TRP A 29 2.958 0.421 4.464 1.00 0.00 H new ATOM 0 HA TRP A 29 2.957 -0.586 7.243 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.098 -2.084 6.621 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.628 -0.398 6.523 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.202 -3.480 4.320 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.289 -3.040 1.941 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.201 1.506 4.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.717 -0.836 0.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.737 2.720 2.888 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.195 1.560 0.766 1.00 0.00 H new ATOM 424 N GLU A 30 4.081 -2.722 6.554 1.00 0.00 N ATOM 425 CA GLU A 30 4.954 -3.825 6.172 1.00 0.00 C ATOM 426 C GLU A 30 4.157 -5.115 6.001 1.00 0.00 C ATOM 427 O GLU A 30 3.286 -5.431 6.810 1.00 0.00 O ATOM 428 CB GLU A 30 6.050 -4.024 7.220 1.00 0.00 C ATOM 429 CG GLU A 30 6.929 -5.236 6.959 1.00 0.00 C ATOM 430 CD GLU A 30 7.582 -5.766 8.221 1.00 0.00 C ATOM 431 OE1 GLU A 30 8.170 -4.958 8.970 1.00 0.00 O ATOM 432 OE2 GLU A 30 7.503 -6.989 8.460 1.00 0.00 O ATOM 0 H GLU A 30 3.859 -2.685 7.549 1.00 0.00 H new ATOM 0 HA GLU A 30 5.417 -3.575 5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.676 -3.132 7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.588 -4.126 8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.328 -6.025 6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.702 -4.971 6.238 1.00 0.00 H new ATOM 439 N ALA A 31 4.463 -5.856 4.941 1.00 0.00 N ATOM 440 CA ALA A 31 3.777 -7.112 4.663 1.00 0.00 C ATOM 441 C ALA A 31 4.716 -8.116 4.002 1.00 0.00 C ATOM 442 O ALA A 31 5.607 -7.755 3.233 1.00 0.00 O ATOM 443 CB ALA A 31 2.560 -6.866 3.784 1.00 0.00 C ATOM 0 H ALA A 31 5.181 -5.608 4.261 1.00 0.00 H new ATOM 0 HA ALA A 31 3.446 -7.534 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.058 -7.813 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.873 -6.191 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.876 -6.418 2.842 1.00 0.00 H new ATOM 449 N PRO A 32 4.514 -9.406 4.307 1.00 0.00 N ATOM 450 CA PRO A 32 5.333 -10.488 3.752 1.00 0.00 C ATOM 451 C PRO A 32 5.083 -10.699 2.263 1.00 0.00 C ATOM 452 O PRO A 32 4.152 -10.143 1.680 1.00 0.00 O ATOM 453 CB PRO A 32 4.885 -11.716 4.549 1.00 0.00 C ATOM 454 CG PRO A 32 3.500 -11.395 4.993 1.00 0.00 C ATOM 455 CD PRO A 32 3.470 -9.909 5.216 1.00 0.00 C ATOM 0 HA PRO A 32 6.399 -10.275 3.833 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.905 -12.616 3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.542 -11.897 5.400 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.770 -11.691 4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.249 -11.932 5.908 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.493 -9.487 4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.684 -9.654 6.254 1.00 0.00 H new ATOM 463 N PRO A 33 5.932 -11.523 1.631 1.00 0.00 N ATOM 464 CA PRO A 33 5.822 -11.827 0.201 1.00 0.00 C ATOM 465 C PRO A 33 4.601 -12.683 -0.118 1.00 0.00 C ATOM 466 O PRO A 33 4.236 -13.571 0.651 1.00 0.00 O ATOM 467 CB PRO A 33 7.109 -12.600 -0.097 1.00 0.00 C ATOM 468 CG PRO A 33 7.502 -13.200 1.209 1.00 0.00 C ATOM 469 CD PRO A 33 7.064 -12.221 2.263 1.00 0.00 C ATOM 0 HA PRO A 33 5.701 -10.925 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.943 -13.369 -0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.888 -11.940 -0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.023 -14.169 1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.578 -13.366 1.254 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.763 -12.726 3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.865 -11.530 2.528 1.00 0.00 H new ATOM 477 N GLY A 34 3.973 -12.409 -1.257 1.00 0.00 N ATOM 478 CA GLY A 34 2.799 -13.163 -1.657 1.00 0.00 C ATOM 479 C GLY A 34 1.754 -13.233 -0.562 1.00 0.00 C ATOM 480 O GLY A 34 1.132 -14.274 -0.353 1.00 0.00 O ATOM 0 H GLY A 34 4.256 -11.678 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.361 -12.705 -2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.098 -14.174 -1.935 1.00 0.00 H new ATOM 484 N ALA A 35 1.560 -12.121 0.141 1.00 0.00 N ATOM 485 CA ALA A 35 0.583 -12.060 1.220 1.00 0.00 C ATOM 486 C ALA A 35 -0.805 -11.723 0.686 1.00 0.00 C ATOM 487 O ALA A 35 -1.768 -12.452 0.926 1.00 0.00 O ATOM 488 CB ALA A 35 1.011 -11.039 2.263 1.00 0.00 C ATOM 0 H ALA A 35 2.067 -11.250 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 35 0.535 -13.043 1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.272 -11.004 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.979 -11.324 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.090 -10.056 1.799 1.00 0.00 H new ATOM 494 N PHE A 36 -0.901 -10.614 -0.040 1.00 0.00 N ATOM 495 CA PHE A 36 -2.173 -10.180 -0.607 1.00 0.00 C ATOM 496 C PHE A 36 -1.990 -9.695 -2.042 1.00 0.00 C ATOM 497 O PHE A 36 -0.964 -9.108 -2.385 1.00 0.00 O ATOM 498 CB PHE A 36 -2.782 -9.065 0.246 1.00 0.00 C ATOM 499 CG PHE A 36 -2.551 -9.244 1.719 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.374 -10.071 2.468 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.511 -8.586 2.356 1.00 0.00 C ATOM 502 CE1 PHE A 36 -3.164 -10.236 3.824 1.00 0.00 C ATOM 503 CE2 PHE A 36 -1.296 -8.748 3.712 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.123 -9.575 4.446 1.00 0.00 C ATOM 0 H PHE A 36 -0.114 -10.000 -0.250 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.850 -11.034 -0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.362 -8.109 -0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.855 -9.019 0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.188 -10.592 1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.861 -7.939 1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.813 -10.881 4.397 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.482 -8.229 4.196 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.956 -9.705 5.505 1.00 0.00 H new ATOM 514 N ASP A 37 -2.993 -9.945 -2.877 1.00 0.00 N ATOM 515 CA ASP A 37 -2.945 -9.534 -4.275 1.00 0.00 C ATOM 516 C ASP A 37 -2.920 -8.014 -4.394 1.00 0.00 C ATOM 517 O ASP A 37 -2.204 -7.458 -5.227 1.00 0.00 O ATOM 518 CB ASP A 37 -4.146 -10.098 -5.036 1.00 0.00 C ATOM 519 CG ASP A 37 -4.353 -9.419 -6.376 1.00 0.00 C ATOM 520 OD1 ASP A 37 -4.901 -8.297 -6.393 1.00 0.00 O ATOM 521 OD2 ASP A 37 -3.969 -10.010 -7.407 1.00 0.00 O ATOM 0 H ASP A 37 -3.849 -10.430 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.029 -9.930 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.004 -11.167 -5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.044 -9.981 -4.430 1.00 0.00 H new ATOM 526 N SER A 38 -3.709 -7.347 -3.557 1.00 0.00 N ATOM 527 CA SER A 38 -3.781 -5.890 -3.572 1.00 0.00 C ATOM 528 C SER A 38 -4.130 -5.350 -2.189 1.00 0.00 C ATOM 529 O SER A 38 -4.299 -6.112 -1.236 1.00 0.00 O ATOM 530 CB SER A 38 -4.820 -5.420 -4.592 1.00 0.00 C ATOM 531 OG SER A 38 -5.995 -6.208 -4.523 1.00 0.00 O ATOM 0 H SER A 38 -4.307 -7.792 -2.861 1.00 0.00 H new ATOM 0 HA SER A 38 -2.802 -5.505 -3.858 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.068 -4.375 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.400 -5.476 -5.596 1.00 0.00 H new ATOM 0 HG SER A 38 -5.889 -7.003 -5.086 1.00 0.00 H new ATOM 537 N PHE A 39 -4.236 -4.029 -2.086 1.00 0.00 N ATOM 538 CA PHE A 39 -4.563 -3.385 -0.819 1.00 0.00 C ATOM 539 C PHE A 39 -5.600 -2.283 -1.022 1.00 0.00 C ATOM 540 O PHE A 39 -5.358 -1.311 -1.739 1.00 0.00 O ATOM 541 CB PHE A 39 -3.302 -2.802 -0.178 1.00 0.00 C ATOM 542 CG PHE A 39 -2.564 -3.782 0.689 1.00 0.00 C ATOM 543 CD1 PHE A 39 -3.203 -4.412 1.744 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.230 -4.072 0.449 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.526 -5.314 2.544 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.549 -4.973 1.244 1.00 0.00 C ATOM 547 CZ PHE A 39 -1.197 -5.594 2.294 1.00 0.00 C ATOM 0 H PHE A 39 -4.100 -3.384 -2.864 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.984 -4.139 -0.154 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.634 -2.449 -0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.576 -1.934 0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.242 -4.196 1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.717 -3.588 -0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.036 -5.799 3.363 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.490 -5.192 1.045 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.665 -6.297 2.918 1.00 0.00 H new ATOM 557 N LEU A 40 -6.755 -2.442 -0.385 1.00 0.00 N ATOM 558 CA LEU A 40 -7.830 -1.462 -0.495 1.00 0.00 C ATOM 559 C LEU A 40 -7.919 -0.608 0.766 1.00 0.00 C ATOM 560 O LEU A 40 -8.386 -1.068 1.809 1.00 0.00 O ATOM 561 CB LEU A 40 -9.165 -2.166 -0.743 1.00 0.00 C ATOM 562 CG LEU A 40 -10.230 -1.347 -1.474 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.742 -0.953 -2.860 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.533 -2.128 -1.567 1.00 0.00 C ATOM 0 H LEU A 40 -6.971 -3.240 0.213 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.608 -0.809 -1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.974 -3.072 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.572 -2.479 0.219 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.416 -0.437 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.513 -0.371 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.836 -0.354 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.528 -1.851 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.279 -1.530 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.363 -3.055 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.891 -2.359 -0.564 1.00 0.00 H new ATOM 576 N LEU A 41 -7.470 0.638 0.663 1.00 0.00 N ATOM 577 CA LEU A 41 -7.501 1.558 1.795 1.00 0.00 C ATOM 578 C LEU A 41 -8.774 2.397 1.780 1.00 0.00 C ATOM 579 O LEU A 41 -9.069 3.079 0.799 1.00 0.00 O ATOM 580 CB LEU A 41 -6.274 2.471 1.768 1.00 0.00 C ATOM 581 CG LEU A 41 -6.334 3.702 2.674 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.961 3.332 4.102 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.417 4.796 2.148 1.00 0.00 C ATOM 0 H LEU A 41 -7.080 1.034 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.488 0.968 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.401 1.881 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.118 2.806 0.743 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.356 4.081 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.009 4.220 4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.658 2.582 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.949 2.928 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.472 5.664 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.391 4.428 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.729 5.081 1.143 1.00 0.00 H new ATOM 595 N ARG A 42 -9.525 2.342 2.875 1.00 0.00 N ATOM 596 CA ARG A 42 -10.767 3.098 2.989 1.00 0.00 C ATOM 597 C ARG A 42 -10.629 4.220 4.013 1.00 0.00 C ATOM 598 O ARG A 42 -10.474 3.969 5.208 1.00 0.00 O ATOM 599 CB ARG A 42 -11.918 2.171 3.384 1.00 0.00 C ATOM 600 CG ARG A 42 -12.629 1.542 2.197 1.00 0.00 C ATOM 601 CD ARG A 42 -13.893 0.813 2.627 1.00 0.00 C ATOM 602 NE ARG A 42 -14.852 1.710 3.266 1.00 0.00 N ATOM 603 CZ ARG A 42 -15.708 2.470 2.593 1.00 0.00 C ATOM 604 NH1 ARG A 42 -15.726 2.442 1.267 1.00 0.00 N ATOM 605 NH2 ARG A 42 -16.551 3.260 3.246 1.00 0.00 N ATOM 0 H ARG A 42 -9.295 1.782 3.696 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.983 3.542 2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.532 1.380 4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.641 2.735 3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.882 2.315 1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.957 0.844 1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.356 0.347 1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.632 0.011 3.317 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.865 1.755 4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.081 1.835 0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.385 3.027 0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.542 3.284 4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.208 3.843 2.728 1.00 0.00 H new ATOM 619 N PHE A 43 -10.685 5.459 3.536 1.00 0.00 N ATOM 620 CA PHE A 43 -10.565 6.621 4.409 1.00 0.00 C ATOM 621 C PHE A 43 -11.894 7.363 4.514 1.00 0.00 C ATOM 622 O PHE A 43 -12.390 7.912 3.531 1.00 0.00 O ATOM 623 CB PHE A 43 -9.480 7.566 3.889 1.00 0.00 C ATOM 624 CG PHE A 43 -9.536 7.784 2.404 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.131 6.789 1.529 1.00 0.00 C ATOM 626 CD2 PHE A 43 -9.993 8.984 1.884 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.182 6.986 0.162 1.00 0.00 C ATOM 628 CE2 PHE A 43 -10.047 9.187 0.518 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.640 8.187 -0.344 1.00 0.00 C ATOM 0 H PHE A 43 -10.813 5.684 2.549 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.286 6.270 5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.575 8.528 4.393 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.502 7.163 4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.771 5.849 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.311 9.770 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.864 6.202 -0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.407 10.126 0.125 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.680 8.344 -1.412 1.00 0.00 H new ATOM 639 N GLY A 44 -12.466 7.373 5.714 1.00 0.00 N ATOM 640 CA GLY A 44 -13.733 8.049 5.926 1.00 0.00 C ATOM 641 C GLY A 44 -13.685 9.017 7.092 1.00 0.00 C ATOM 642 O GLY A 44 -12.931 8.818 8.044 1.00 0.00 O ATOM 0 H GLY A 44 -12.075 6.925 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.009 8.589 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.512 7.307 6.105 1.00 0.00 H new ATOM 646 N VAL A 45 -14.492 10.071 7.017 1.00 0.00 N ATOM 647 CA VAL A 45 -14.539 11.075 8.073 1.00 0.00 C ATOM 648 C VAL A 45 -15.467 10.642 9.202 1.00 0.00 C ATOM 649 O VAL A 45 -16.688 10.587 9.048 1.00 0.00 O ATOM 650 CB VAL A 45 -15.007 12.439 7.532 1.00 0.00 C ATOM 651 CG1 VAL A 45 -14.998 13.484 8.636 1.00 0.00 C ATOM 652 CG2 VAL A 45 -14.135 12.876 6.365 1.00 0.00 C ATOM 0 H VAL A 45 -15.122 10.251 6.236 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.525 11.175 8.459 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.031 12.336 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.332 14.441 8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.669 13.173 9.437 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.987 13.589 9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.480 13.842 5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.100 12.963 6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.199 12.137 5.566 1.00 0.00 H new ATOM 662 N PRO A 46 -14.878 10.327 10.365 1.00 0.00 N ATOM 663 CA PRO A 46 -15.635 9.895 11.544 1.00 0.00 C ATOM 664 C PRO A 46 -16.456 11.026 12.153 1.00 0.00 C ATOM 665 O PRO A 46 -15.908 11.945 12.762 1.00 0.00 O ATOM 666 CB PRO A 46 -14.545 9.440 12.518 1.00 0.00 C ATOM 667 CG PRO A 46 -13.331 10.203 12.110 1.00 0.00 C ATOM 668 CD PRO A 46 -13.429 10.370 10.619 1.00 0.00 C ATOM 0 HA PRO A 46 -16.360 9.118 11.301 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.821 9.657 13.550 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.378 8.365 12.452 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.292 11.171 12.609 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.423 9.667 12.384 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.991 11.313 10.291 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.905 9.574 10.090 1.00 0.00 H new ATOM 923 N GLU A 62 -11.369 5.197 -1.955 1.00 0.00 N ATOM 924 CA GLU A 62 -10.369 4.225 -1.533 1.00 0.00 C ATOM 925 C GLU A 62 -9.212 4.167 -2.526 1.00 0.00 C ATOM 926 O GLU A 62 -9.354 4.559 -3.686 1.00 0.00 O ATOM 927 CB GLU A 62 -11.001 2.839 -1.388 1.00 0.00 C ATOM 928 CG GLU A 62 -11.503 2.260 -2.700 1.00 0.00 C ATOM 929 CD GLU A 62 -12.615 3.087 -3.315 1.00 0.00 C ATOM 930 OE1 GLU A 62 -13.717 3.130 -2.728 1.00 0.00 O ATOM 931 OE2 GLU A 62 -12.384 3.692 -4.383 1.00 0.00 O ATOM 0 HA GLU A 62 -9.979 4.541 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.268 2.158 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.832 2.899 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.674 2.193 -3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.861 1.244 -2.531 1.00 0.00 H new ATOM 938 N LEU A 63 -8.067 3.677 -2.065 1.00 0.00 N ATOM 939 CA LEU A 63 -6.884 3.568 -2.912 1.00 0.00 C ATOM 940 C LEU A 63 -6.646 2.121 -3.331 1.00 0.00 C ATOM 941 O LEU A 63 -7.070 1.189 -2.648 1.00 0.00 O ATOM 942 CB LEU A 63 -5.656 4.108 -2.178 1.00 0.00 C ATOM 943 CG LEU A 63 -4.477 4.523 -3.059 1.00 0.00 C ATOM 944 CD1 LEU A 63 -4.735 5.882 -3.691 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.188 4.546 -2.249 1.00 0.00 C ATOM 0 H LEU A 63 -7.932 3.349 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.053 4.163 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.962 4.970 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.311 3.346 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.369 3.789 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.885 6.161 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.635 5.833 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.870 6.628 -2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.360 4.843 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.286 5.259 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.995 3.552 -1.844 1.00 0.00 H new ATOM 957 N MET A 64 -5.962 1.941 -4.456 1.00 0.00 N ATOM 958 CA MET A 64 -5.664 0.607 -4.964 1.00 0.00 C ATOM 959 C MET A 64 -4.161 0.413 -5.133 1.00 0.00 C ATOM 960 O MET A 64 -3.540 1.025 -6.003 1.00 0.00 O ATOM 961 CB MET A 64 -6.374 0.375 -6.299 1.00 0.00 C ATOM 962 CG MET A 64 -6.652 -1.090 -6.593 1.00 0.00 C ATOM 963 SD MET A 64 -7.774 -1.838 -5.397 1.00 0.00 S ATOM 964 CE MET A 64 -8.866 -2.752 -6.483 1.00 0.00 C ATOM 0 H MET A 64 -5.604 2.702 -5.033 1.00 0.00 H new ATOM 0 HA MET A 64 -6.027 -0.120 -4.238 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.317 0.922 -6.300 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.764 0.789 -7.102 1.00 0.00 H new ATOM 0 HG2 MET A 64 -7.079 -1.181 -7.592 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.711 -1.641 -6.596 1.00 0.00 H new ATOM 0 HE1 MET A 64 -9.619 -3.271 -5.889 1.00 0.00 H new ATOM 0 HE2 MET A 64 -9.357 -2.062 -7.169 1.00 0.00 H new ATOM 0 HE3 MET A 64 -8.288 -3.480 -7.052 1.00 0.00 H new ATOM 974 N VAL A 65 -3.580 -0.441 -4.296 1.00 0.00 N ATOM 975 CA VAL A 65 -2.150 -0.716 -4.355 1.00 0.00 C ATOM 976 C VAL A 65 -1.871 -2.209 -4.228 1.00 0.00 C ATOM 977 O VAL A 65 -2.466 -2.910 -3.408 1.00 0.00 O ATOM 978 CB VAL A 65 -1.389 0.033 -3.245 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.022 0.374 -3.701 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.144 1.289 -2.836 1.00 0.00 C ATOM 0 H VAL A 65 -4.078 -0.954 -3.569 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.800 -0.366 -5.326 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.316 -0.619 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.544 0.903 -2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.559 -0.544 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.025 1.008 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.592 1.806 -2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.250 1.947 -3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.132 1.015 -2.465 1.00 0.00 H new ATOM 990 N PRO A 66 -0.944 -2.711 -5.057 1.00 0.00 N ATOM 991 CA PRO A 66 -0.564 -4.127 -5.056 1.00 0.00 C ATOM 992 C PRO A 66 0.206 -4.520 -3.800 1.00 0.00 C ATOM 993 O PRO A 66 0.954 -3.717 -3.243 1.00 0.00 O ATOM 994 CB PRO A 66 0.329 -4.255 -6.293 1.00 0.00 C ATOM 995 CG PRO A 66 0.879 -2.887 -6.507 1.00 0.00 C ATOM 996 CD PRO A 66 -0.195 -1.935 -6.060 1.00 0.00 C ATOM 0 HA PRO A 66 -1.435 -4.783 -5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.126 -4.981 -6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.240 -4.593 -7.159 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.794 -2.740 -5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.131 -2.727 -7.555 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.227 -1.026 -5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.832 -1.630 -6.890 1.00 0.00 H new ATOM 1004 N GLY A 67 0.019 -5.760 -3.360 1.00 0.00 N ATOM 1005 CA GLY A 67 0.703 -6.237 -2.173 1.00 0.00 C ATOM 1006 C GLY A 67 2.157 -5.808 -2.130 1.00 0.00 C ATOM 1007 O GLY A 67 2.659 -5.392 -1.085 1.00 0.00 O ATOM 0 H GLY A 67 -0.594 -6.443 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.191 -5.863 -1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.647 -7.325 -2.138 1.00 0.00 H new ATOM 1011 N THR A 68 2.836 -5.910 -3.268 1.00 0.00 N ATOM 1012 CA THR A 68 4.241 -5.533 -3.355 1.00 0.00 C ATOM 1013 C THR A 68 4.456 -4.100 -2.879 1.00 0.00 C ATOM 1014 O THR A 68 5.476 -3.787 -2.266 1.00 0.00 O ATOM 1015 CB THR A 68 4.770 -5.668 -4.796 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.181 -5.425 -4.824 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.064 -4.693 -5.725 1.00 0.00 C ATOM 0 H THR A 68 2.436 -6.251 -4.142 1.00 0.00 H new ATOM 0 HA THR A 68 4.792 -6.215 -2.708 1.00 0.00 H new ATOM 0 HB THR A 68 4.569 -6.683 -5.140 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.510 -5.514 -5.743 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.454 -4.807 -6.736 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.994 -4.899 -5.724 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.237 -3.673 -5.382 1.00 0.00 H new ATOM 1025 N ARG A 69 3.489 -3.235 -3.166 1.00 0.00 N ATOM 1026 CA ARG A 69 3.573 -1.835 -2.767 1.00 0.00 C ATOM 1027 C ARG A 69 2.715 -1.569 -1.534 1.00 0.00 C ATOM 1028 O ARG A 69 1.518 -1.859 -1.523 1.00 0.00 O ATOM 1029 CB ARG A 69 3.130 -0.928 -3.916 1.00 0.00 C ATOM 1030 CG ARG A 69 4.277 -0.448 -4.790 1.00 0.00 C ATOM 1031 CD ARG A 69 3.776 0.382 -5.961 1.00 0.00 C ATOM 1032 NE ARG A 69 4.873 0.932 -6.752 1.00 0.00 N ATOM 1033 CZ ARG A 69 4.696 1.646 -7.858 1.00 0.00 C ATOM 1034 NH1 ARG A 69 3.472 1.896 -8.301 1.00 0.00 N ATOM 1035 NH2 ARG A 69 5.745 2.113 -8.523 1.00 0.00 N ATOM 0 H ARG A 69 2.638 -3.479 -3.673 1.00 0.00 H new ATOM 0 HA ARG A 69 4.612 -1.615 -2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.412 -1.465 -4.536 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.611 -0.062 -3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.968 0.145 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.835 -1.307 -5.164 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.144 -0.236 -6.599 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.154 1.196 -5.588 1.00 0.00 H new ATOM 0 HE ARG A 69 5.828 0.758 -6.438 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.663 1.540 -7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.339 2.445 -9.151 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.689 1.924 -8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.608 2.661 -9.372 1.00 0.00 H new ATOM 1049 N HIS A 70 3.334 -1.015 -0.496 1.00 0.00 N ATOM 1050 CA HIS A 70 2.627 -0.709 0.742 1.00 0.00 C ATOM 1051 C HIS A 70 2.637 0.792 1.017 1.00 0.00 C ATOM 1052 O HIS A 70 3.267 1.255 1.968 1.00 0.00 O ATOM 1053 CB HIS A 70 3.261 -1.458 1.915 1.00 0.00 C ATOM 1054 CG HIS A 70 3.597 -2.884 1.603 1.00 0.00 C ATOM 1055 ND1 HIS A 70 4.751 -3.259 0.949 1.00 0.00 N ATOM 1056 CD2 HIS A 70 2.924 -4.029 1.862 1.00 0.00 C ATOM 1057 CE1 HIS A 70 4.772 -4.573 0.817 1.00 0.00 C ATOM 1058 NE2 HIS A 70 3.675 -5.065 1.363 1.00 0.00 N ATOM 0 H HIS A 70 4.324 -0.769 -0.488 1.00 0.00 H new ATOM 0 HA HIS A 70 1.592 -1.033 0.630 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.169 -0.938 2.220 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.578 -1.432 2.764 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.475 -2.621 0.619 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.973 -4.113 2.367 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.554 -5.148 0.343 1.00 0.00 H new ATOM 1067 N SER A 71 1.935 1.547 0.178 1.00 0.00 N ATOM 1068 CA SER A 71 1.866 2.996 0.328 1.00 0.00 C ATOM 1069 C SER A 71 0.466 3.510 0.006 1.00 0.00 C ATOM 1070 O SER A 71 -0.282 2.879 -0.740 1.00 0.00 O ATOM 1071 CB SER A 71 2.892 3.673 -0.584 1.00 0.00 C ATOM 1072 OG SER A 71 2.685 3.316 -1.939 1.00 0.00 O ATOM 0 H SER A 71 1.406 1.179 -0.613 1.00 0.00 H new ATOM 0 HA SER A 71 2.094 3.240 1.365 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.821 4.755 -0.475 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.899 3.387 -0.279 1.00 0.00 H new ATOM 0 HG SER A 71 3.352 3.763 -2.501 1.00 0.00 H new ATOM 1078 N ALA A 72 0.120 4.659 0.576 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.189 5.260 0.349 1.00 0.00 C ATOM 1080 C ALA A 72 -1.163 6.757 0.638 1.00 0.00 C ATOM 1081 O ALA A 72 -0.816 7.182 1.740 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.241 4.573 1.208 1.00 0.00 C ATOM 0 H ALA A 72 0.727 5.192 1.198 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.447 5.124 -0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.213 5.032 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.286 3.515 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.978 4.680 2.260 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.532 7.554 -0.360 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.551 9.004 -0.214 1.00 0.00 C ATOM 1090 C VAL A 73 -2.948 9.563 -0.459 1.00 0.00 C ATOM 1091 O VAL A 73 -3.489 9.452 -1.560 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.563 9.680 -1.183 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.735 11.191 -1.155 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.868 9.292 -0.841 1.00 0.00 C ATOM 0 H VAL A 73 -1.822 7.219 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.250 9.222 0.811 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.778 9.333 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.028 11.651 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.752 11.447 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.548 11.560 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.553 9.779 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.098 9.609 0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.980 8.211 -0.919 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.528 10.164 0.574 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.864 10.742 0.472 1.00 0.00 C ATOM 1106 C LEU A 74 -4.790 12.253 0.279 1.00 0.00 C ATOM 1107 O LEU A 74 -3.990 12.933 0.922 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.680 10.415 1.724 1.00 0.00 C ATOM 1109 CG LEU A 74 -5.899 8.930 2.014 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.267 8.186 0.739 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.657 8.322 2.648 1.00 0.00 C ATOM 0 H LEU A 74 -3.094 10.264 1.492 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.356 10.307 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.183 10.863 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.655 10.894 1.633 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.726 8.835 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.419 7.131 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.185 8.605 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.461 8.289 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.831 7.265 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.812 8.429 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.437 8.836 3.583 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.631 12.773 -0.610 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.662 14.204 -0.886 1.00 0.00 C ATOM 1125 C ARG A 75 -7.064 14.769 -0.675 1.00 0.00 C ATOM 1126 O ARG A 75 -8.018 14.022 -0.457 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.201 14.478 -2.319 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.713 14.251 -2.534 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.387 14.052 -4.006 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.232 15.323 -4.708 1.00 0.00 N ATOM 1131 CZ ARG A 75 -2.748 15.427 -5.941 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.375 14.342 -6.604 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -2.637 16.620 -6.513 1.00 0.00 N ATOM 0 H ARG A 75 -6.299 12.224 -1.151 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.982 14.697 -0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.760 13.837 -3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.444 15.508 -2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.154 15.104 -2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.392 13.377 -1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.469 13.472 -4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.180 13.471 -4.478 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.510 16.177 -4.226 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.459 13.424 -6.168 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.004 14.425 -7.550 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.923 17.457 -6.006 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.265 16.699 -7.460 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.179 16.090 -0.741 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.464 16.755 -0.557 1.00 0.00 C ATOM 1149 C ASP A 76 -9.026 16.477 0.834 1.00 0.00 C ATOM 1150 O ASP A 76 -10.227 16.257 0.997 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.458 16.294 -1.624 1.00 0.00 C ATOM 1152 CG ASP A 76 -9.264 17.012 -2.945 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -8.098 17.240 -3.331 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -10.278 17.345 -3.593 1.00 0.00 O ATOM 0 H ASP A 76 -6.399 16.722 -0.920 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.307 17.829 -0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.349 15.220 -1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.474 16.464 -1.267 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.151 16.488 1.833 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.559 16.235 3.210 1.00 0.00 C ATOM 1161 C LEU A 77 -8.810 17.544 3.952 1.00 0.00 C ATOM 1162 O LEU A 77 -8.437 18.618 3.480 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.490 15.419 3.939 1.00 0.00 C ATOM 1164 CG LEU A 77 -7.006 14.157 3.224 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -6.124 13.328 4.144 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.189 13.336 2.733 1.00 0.00 C ATOM 0 H LEU A 77 -7.154 16.669 1.715 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.489 15.666 3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.629 16.063 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.883 15.132 4.914 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.413 14.456 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.789 12.434 3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.258 13.917 4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.692 13.038 5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.826 12.442 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.808 13.046 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.782 13.931 2.038 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.441 17.447 5.118 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.740 18.623 5.926 1.00 0.00 C ATOM 1180 C ARG A 78 -8.513 19.064 6.718 1.00 0.00 C ATOM 1181 O ARG A 78 -7.527 18.334 6.812 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.899 18.331 6.881 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.689 19.568 7.276 1.00 0.00 C ATOM 1184 CD ARG A 78 -13.125 19.220 7.634 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.766 20.276 8.414 1.00 0.00 N ATOM 1186 CZ ARG A 78 -14.986 20.172 8.929 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -15.693 19.066 8.747 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -15.500 21.176 9.628 1.00 0.00 N ATOM 0 H ARG A 78 -9.755 16.566 5.524 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.027 19.431 5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.573 17.614 6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.507 17.858 7.781 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.208 20.052 8.126 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.681 20.284 6.454 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.695 19.047 6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.142 18.289 8.201 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.248 21.141 8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.301 18.292 8.211 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.630 18.988 9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.958 22.028 9.770 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.437 21.095 10.023 1.00 0.00 H new ATOM 1202 N SER A 79 -8.581 20.264 7.286 1.00 0.00 N ATOM 1203 CA SER A 79 -7.475 20.805 8.066 1.00 0.00 C ATOM 1204 C SER A 79 -7.651 20.491 9.549 1.00 0.00 C ATOM 1205 O SER A 79 -8.758 20.558 10.082 1.00 0.00 O ATOM 1206 CB SER A 79 -7.371 22.318 7.863 1.00 0.00 C ATOM 1207 OG SER A 79 -8.585 22.963 8.205 1.00 0.00 O ATOM 0 H SER A 79 -9.391 20.880 7.220 1.00 0.00 H new ATOM 0 HA SER A 79 -6.555 20.335 7.719 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.560 22.715 8.474 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.122 22.532 6.824 1.00 0.00 H new ATOM 0 HG SER A 79 -8.492 23.929 8.068 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.550 20.147 10.210 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.603 19.827 11.624 1.00 0.00 C ATOM 1215 C GLY A 80 -7.758 18.907 11.968 1.00 0.00 C ATOM 1216 O GLY A 80 -8.468 19.129 12.949 1.00 0.00 O ATOM 0 H GLY A 80 -5.622 20.084 9.791 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.666 19.356 11.922 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.693 20.749 12.199 1.00 0.00 H new ATOM 1220 N THR A 81 -7.949 17.871 11.157 1.00 0.00 N ATOM 1221 CA THR A 81 -9.028 16.916 11.378 1.00 0.00 C ATOM 1222 C THR A 81 -8.493 15.491 11.454 1.00 0.00 C ATOM 1223 O THR A 81 -7.492 15.157 10.819 1.00 0.00 O ATOM 1224 CB THR A 81 -10.086 16.996 10.262 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.829 18.215 10.378 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.036 15.810 10.331 1.00 0.00 C ATOM 0 H THR A 81 -7.370 17.672 10.341 1.00 0.00 H new ATOM 0 HA THR A 81 -9.493 17.178 12.328 1.00 0.00 H new ATOM 0 HB THR A 81 -9.571 16.974 9.302 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.220 18.978 10.293 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.774 15.888 9.533 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.472 14.885 10.214 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.543 15.806 11.296 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.166 14.652 12.234 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.759 13.261 12.393 1.00 0.00 C ATOM 1236 C LEU A 82 -9.470 12.366 11.382 1.00 0.00 C ATOM 1237 O LEU A 82 -10.699 12.362 11.299 1.00 0.00 O ATOM 1238 CB LEU A 82 -9.057 12.780 13.814 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.334 11.508 14.258 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -9.004 10.279 13.664 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -6.866 11.562 13.860 1.00 0.00 C ATOM 0 H LEU A 82 -9.996 14.911 12.766 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.686 13.200 12.213 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.801 13.580 14.508 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.131 12.613 13.902 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.393 11.440 15.344 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.476 9.383 13.991 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.040 10.232 13.999 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.977 10.340 12.576 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.367 10.649 14.184 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.786 11.655 12.777 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.392 12.422 14.334 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.691 11.609 10.619 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.246 10.711 9.614 1.00 0.00 C ATOM 1255 C TYR A 83 -9.049 9.253 10.018 1.00 0.00 C ATOM 1256 O TYR A 83 -8.040 8.896 10.627 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.594 10.967 8.254 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.264 12.065 7.458 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.227 13.385 7.891 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -9.933 11.782 6.274 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.839 14.390 7.167 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -10.546 12.781 5.543 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.496 14.083 5.994 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.106 15.083 5.270 1.00 0.00 O ATOM 0 H TYR A 83 -7.673 11.599 10.677 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.316 10.908 9.539 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.547 11.227 8.406 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.612 10.045 7.672 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.712 13.629 8.808 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.975 10.763 5.919 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.803 15.411 7.518 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.061 12.544 4.624 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.523 14.700 4.470 1.00 0.00 H new ATOM 1274 N SER A 84 -10.021 8.414 9.674 1.00 0.00 N ATOM 1275 CA SER A 84 -9.957 6.994 10.002 1.00 0.00 C ATOM 1276 C SER A 84 -9.645 6.163 8.762 1.00 0.00 C ATOM 1277 O SER A 84 -10.508 5.951 7.909 1.00 0.00 O ATOM 1278 CB SER A 84 -11.279 6.533 10.621 1.00 0.00 C ATOM 1279 OG SER A 84 -11.253 5.144 10.901 1.00 0.00 O ATOM 0 H SER A 84 -10.862 8.693 9.168 1.00 0.00 H new ATOM 0 HA SER A 84 -9.155 6.849 10.725 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.468 7.089 11.539 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.100 6.755 9.940 1.00 0.00 H new ATOM 0 HG SER A 84 -12.108 4.874 11.297 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.406 5.693 8.669 1.00 0.00 N ATOM 1286 CA LEU A 85 -7.978 4.884 7.533 1.00 0.00 C ATOM 1287 C LEU A 85 -8.006 3.399 7.881 1.00 0.00 C ATOM 1288 O LEU A 85 -7.620 3.000 8.980 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.570 5.290 7.094 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.193 6.755 7.321 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.684 6.905 7.439 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.731 7.624 6.194 1.00 0.00 C ATOM 0 H LEU A 85 -7.680 5.858 9.366 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.673 5.059 6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.851 4.664 7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.464 5.069 6.032 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.645 7.087 8.256 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.434 7.954 7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.324 6.313 8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.211 6.556 6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.454 8.663 6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.308 7.293 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.817 7.540 6.156 1.00 0.00 H new ATOM 1304 N THR A 86 -8.464 2.583 6.936 1.00 0.00 N ATOM 1305 CA THR A 86 -8.541 1.143 7.142 1.00 0.00 C ATOM 1306 C THR A 86 -8.084 0.385 5.901 1.00 0.00 C ATOM 1307 O THR A 86 -8.733 0.438 4.855 1.00 0.00 O ATOM 1308 CB THR A 86 -9.973 0.702 7.501 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.462 1.477 8.601 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.011 -0.776 7.858 1.00 0.00 C ATOM 0 H THR A 86 -8.787 2.896 6.021 1.00 0.00 H new ATOM 0 HA THR A 86 -7.877 0.907 7.974 1.00 0.00 H new ATOM 0 HB THR A 86 -10.609 0.865 6.631 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.373 1.192 8.822 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.032 -1.064 8.108 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.666 -1.365 7.008 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.362 -0.960 8.714 1.00 0.00 H new ATOM 1318 N LEU A 87 -6.965 -0.321 6.023 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.422 -1.092 4.910 1.00 0.00 C ATOM 1320 C LEU A 87 -7.019 -2.495 4.876 1.00 0.00 C ATOM 1321 O LEU A 87 -7.357 -3.062 5.915 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.898 -1.176 5.018 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.147 -1.454 3.716 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.178 -0.232 2.811 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.712 -1.868 4.005 1.00 0.00 C ATOM 0 H LEU A 87 -6.416 -0.375 6.881 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.687 -0.582 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.531 -0.237 5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.647 -1.960 5.733 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.644 -2.276 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.639 -0.448 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.212 0.020 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.706 0.609 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.193 -2.062 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.203 -1.067 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.710 -2.772 4.614 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.145 -3.049 3.675 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.702 -4.386 3.506 1.00 0.00 C ATOM 1339 C TYR A 88 -6.795 -5.247 2.631 1.00 0.00 C ATOM 1340 O TYR A 88 -6.724 -5.060 1.418 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.098 -4.305 2.887 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.149 -3.768 3.832 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.733 -4.587 4.791 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.557 -2.442 3.767 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.694 -4.101 5.656 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.517 -1.946 4.629 1.00 0.00 C ATOM 1347 CZ TYR A 88 -12.082 -2.780 5.571 1.00 0.00 C ATOM 1348 OH TYR A 88 -13.038 -2.291 6.432 1.00 0.00 O ATOM 0 H TYR A 88 -6.869 -2.593 2.805 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.774 -4.849 4.490 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.058 -3.669 2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.396 -5.299 2.552 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.430 -5.621 4.861 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.116 -1.787 3.030 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.139 -4.751 6.394 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.823 -0.912 4.565 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.196 -1.343 6.241 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.102 -6.193 3.259 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.209 -7.070 2.525 1.00 0.00 C ATOM 1360 C GLY A 89 -5.956 -8.053 1.645 1.00 0.00 C ATOM 1361 O GLY A 89 -6.259 -9.170 2.068 1.00 0.00 O ATOM 0 H GLY A 89 -6.144 -6.367 4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.541 -6.469 1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.584 -7.619 3.229 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.255 -7.639 0.419 1.00 0.00 N ATOM 1366 CA LEU A 90 -6.973 -8.491 -0.522 1.00 0.00 C ATOM 1367 C LEU A 90 -6.119 -9.685 -0.937 1.00 0.00 C ATOM 1368 O LEU A 90 -5.133 -9.534 -1.659 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.382 -7.688 -1.759 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.657 -6.855 -1.627 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -9.860 -7.756 -1.393 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.519 -5.843 -0.499 1.00 0.00 C ATOM 0 H LEU A 90 -6.011 -6.719 0.053 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.869 -8.863 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.561 -7.020 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.509 -8.380 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.811 -6.311 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.759 -7.146 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.970 -8.441 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.714 -8.327 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.436 -5.259 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.340 -6.367 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.682 -5.177 -0.708 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.505 -10.870 -0.477 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.775 -12.090 -0.801 1.00 0.00 C ATOM 1386 C ARG A 91 -6.239 -12.662 -2.138 1.00 0.00 C ATOM 1387 O ARG A 91 -5.857 -13.769 -2.517 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.964 -13.131 0.304 1.00 0.00 C ATOM 1389 CG ARG A 91 -4.927 -14.242 0.277 1.00 0.00 C ATOM 1390 CD ARG A 91 -5.294 -15.370 1.228 1.00 0.00 C ATOM 1391 NE ARG A 91 -6.514 -16.059 0.814 1.00 0.00 N ATOM 1392 CZ ARG A 91 -6.581 -16.866 -0.239 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -5.503 -17.086 -0.980 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -7.727 -17.457 -0.552 1.00 0.00 N ATOM 0 H ARG A 91 -7.319 -11.012 0.121 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.717 -11.841 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.925 -12.632 1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.957 -13.570 0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.838 -14.634 -0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.952 -13.838 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.473 -16.085 1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.427 -14.969 2.233 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.361 -15.912 1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.620 -16.635 -0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.557 -17.706 -1.788 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.558 -17.292 0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.777 -18.076 -1.361 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.064 -11.899 -2.848 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.566 -12.347 -4.134 1.00 0.00 C ATOM 1410 C GLY A 92 -9.014 -11.959 -4.358 1.00 0.00 C ATOM 1411 O GLY A 92 -9.329 -10.815 -4.688 1.00 0.00 O ATOM 0 H GLY A 92 -7.394 -10.979 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.952 -11.922 -4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.469 -13.431 -4.201 1.00 0.00 H new ATOM 1415 N PRO A 93 -9.925 -12.927 -4.179 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.363 -12.704 -4.359 1.00 0.00 C ATOM 1417 C PRO A 93 -11.953 -11.813 -3.272 1.00 0.00 C ATOM 1418 O PRO A 93 -12.638 -10.832 -3.563 1.00 0.00 O ATOM 1419 CB PRO A 93 -11.953 -14.114 -4.273 1.00 0.00 C ATOM 1420 CG PRO A 93 -10.973 -14.886 -3.460 1.00 0.00 C ATOM 1421 CD PRO A 93 -9.622 -14.313 -3.785 1.00 0.00 C ATOM 0 HA PRO A 93 -11.582 -12.191 -5.296 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.936 -14.104 -3.803 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.078 -14.552 -5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.190 -14.794 -2.396 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.015 -15.948 -3.703 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.953 -14.349 -2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.136 -14.863 -4.591 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.682 -12.159 -2.017 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.185 -11.388 -0.886 1.00 0.00 C ATOM 1431 C HIS A 94 -11.045 -10.970 0.037 1.00 0.00 C ATOM 1432 O HIS A 94 -9.973 -11.576 0.032 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.216 -12.204 -0.104 1.00 0.00 C ATOM 1434 CG HIS A 94 -12.605 -13.204 0.829 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -12.416 -12.961 2.173 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -12.143 -14.456 0.605 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -11.861 -14.020 2.735 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -11.685 -14.942 1.805 1.00 0.00 N ATOM 0 H HIS A 94 -11.117 -12.968 -1.758 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.663 -10.489 -1.275 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.847 -11.524 0.468 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.865 -12.725 -0.808 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -12.666 -12.099 2.657 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -12.136 -14.976 -0.341 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -11.596 -14.116 3.778 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.282 -9.929 0.828 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.275 -9.428 1.757 1.00 0.00 C ATOM 1449 C LYS A 95 -9.902 -10.495 2.781 1.00 0.00 C ATOM 1450 O LYS A 95 -10.764 -11.217 3.281 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.789 -8.177 2.472 1.00 0.00 C ATOM 1452 CG LYS A 95 -12.108 -8.388 3.196 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.791 -7.067 3.507 1.00 0.00 C ATOM 1454 CE LYS A 95 -13.521 -6.517 2.291 1.00 0.00 C ATOM 1455 NZ LYS A 95 -14.735 -7.316 1.964 1.00 0.00 N ATOM 0 H LYS A 95 -12.163 -9.415 0.845 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.384 -9.171 1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.039 -7.845 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.909 -7.376 1.743 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.766 -9.003 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.932 -8.935 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.498 -7.205 4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.049 -6.344 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.807 -5.482 2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.847 -6.513 1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.353 -6.766 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.453 -8.198 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.248 -7.542 2.840 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.613 -10.587 3.090 1.00 0.00 N ATOM 1470 CA ALA A 96 -8.127 -11.563 4.058 1.00 0.00 C ATOM 1471 C ALA A 96 -7.881 -10.914 5.416 1.00 0.00 C ATOM 1472 O ALA A 96 -8.357 -11.400 6.442 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.854 -12.223 3.548 1.00 0.00 C ATOM 0 H ALA A 96 -7.886 -9.998 2.684 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.894 -12.327 4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.502 -12.949 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.059 -12.729 2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.088 -11.464 3.393 1.00 0.00 H new ATOM 1479 N ASP A 97 -7.135 -9.815 5.414 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.826 -9.099 6.647 1.00 0.00 C ATOM 1481 C ASP A 97 -7.068 -7.602 6.481 1.00 0.00 C ATOM 1482 O ASP A 97 -7.312 -7.121 5.374 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.375 -9.351 7.058 1.00 0.00 C ATOM 1484 CG ASP A 97 -5.228 -10.570 7.947 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -5.460 -10.446 9.167 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -4.881 -11.649 7.421 1.00 0.00 O ATOM 0 H ASP A 97 -6.733 -9.400 4.573 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.487 -9.471 7.430 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.765 -9.481 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.991 -8.475 7.581 1.00 0.00 H new ATOM 1491 N SER A 98 -7.001 -6.870 7.589 1.00 0.00 N ATOM 1492 CA SER A 98 -7.218 -5.429 7.567 1.00 0.00 C ATOM 1493 C SER A 98 -6.619 -4.770 8.807 1.00 0.00 C ATOM 1494 O SER A 98 -6.470 -5.407 9.850 1.00 0.00 O ATOM 1495 CB SER A 98 -8.713 -5.118 7.483 1.00 0.00 C ATOM 1496 OG SER A 98 -8.960 -3.738 7.692 1.00 0.00 O ATOM 0 H SER A 98 -6.798 -7.252 8.513 1.00 0.00 H new ATOM 0 HA SER A 98 -6.720 -5.025 6.685 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.095 -5.415 6.506 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.252 -5.704 8.228 1.00 0.00 H new ATOM 0 HG SER A 98 -8.666 -3.230 6.907 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.278 -3.492 8.684 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.697 -2.747 9.793 1.00 0.00 C ATOM 1504 C ILE A 99 -6.363 -1.384 9.949 1.00 0.00 C ATOM 1505 O ILE A 99 -7.027 -0.899 9.034 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.182 -2.546 9.605 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.565 -1.936 10.865 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.911 -1.664 8.395 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.094 -2.248 11.030 1.00 0.00 C ATOM 0 H ILE A 99 -6.394 -2.951 7.827 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.868 -3.338 10.693 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.720 -3.518 9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.698 -0.854 10.838 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.106 -2.302 11.738 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.836 -1.531 8.275 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.320 -2.136 7.502 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.383 -0.692 8.540 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.724 -1.784 11.944 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.955 -3.328 11.090 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.541 -1.858 10.175 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.179 -0.772 11.115 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.762 0.536 11.390 1.00 0.00 C ATOM 1523 C GLN A 100 -5.677 1.560 11.705 1.00 0.00 C ATOM 1524 O GLN A 100 -4.971 1.443 12.706 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.748 0.444 12.556 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.123 -0.062 12.152 1.00 0.00 C ATOM 1527 CD GLN A 100 -9.937 -0.548 13.335 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -9.395 -0.825 14.405 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -11.248 -0.653 13.148 1.00 0.00 N ATOM 0 H GLN A 100 -5.632 -1.160 11.883 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.296 0.863 10.498 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.336 -0.218 13.318 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.852 1.429 13.012 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.666 0.737 11.646 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.010 -0.875 11.435 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.655 -0.413 12.244 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.848 -0.974 13.908 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.550 2.565 10.844 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.548 3.595 11.049 1.00 0.00 C ATOM 1540 C GLY A 101 -5.149 4.985 11.106 1.00 0.00 C ATOM 1541 O GLY A 101 -5.709 5.470 10.122 1.00 0.00 O ATOM 0 H GLY A 101 -6.123 2.684 10.008 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.012 3.396 11.977 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.816 3.552 10.242 1.00 0.00 H new ATOM 1545 N THR A 102 -5.035 5.630 12.263 1.00 0.00 N ATOM 1546 CA THR A 102 -5.574 6.972 12.447 1.00 0.00 C ATOM 1547 C THR A 102 -4.480 8.026 12.325 1.00 0.00 C ATOM 1548 O THR A 102 -3.354 7.820 12.778 1.00 0.00 O ATOM 1549 CB THR A 102 -6.262 7.118 13.817 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.377 6.691 14.858 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.545 6.302 13.868 1.00 0.00 C ATOM 0 H THR A 102 -4.574 5.244 13.087 1.00 0.00 H new ATOM 0 HA THR A 102 -6.312 7.126 11.660 1.00 0.00 H new ATOM 0 HB THR A 102 -6.513 8.169 13.963 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.822 6.789 15.726 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.013 6.421 14.845 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.228 6.650 13.093 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.314 5.250 13.702 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.817 9.155 11.712 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.863 10.243 11.534 1.00 0.00 C ATOM 1561 C ALA A 103 -4.568 11.595 11.523 1.00 0.00 C ATOM 1562 O ALA A 103 -5.627 11.749 10.915 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.074 10.047 10.248 1.00 0.00 C ATOM 0 H ALA A 103 -5.744 9.341 11.330 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.172 10.230 12.377 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.365 10.866 10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.532 9.102 10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.759 10.032 9.400 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.973 12.572 12.200 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.545 13.911 12.270 1.00 0.00 C ATOM 1571 C ARG A 104 -3.788 14.874 11.361 1.00 0.00 C ATOM 1572 O ARG A 104 -2.600 15.131 11.562 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.519 14.425 13.711 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.286 15.723 13.908 1.00 0.00 C ATOM 1575 CD ARG A 104 -4.879 16.419 15.197 1.00 0.00 C ATOM 1576 NE ARG A 104 -5.291 17.821 15.216 1.00 0.00 N ATOM 1577 CZ ARG A 104 -4.994 18.661 16.201 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -4.287 18.244 17.242 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -5.404 19.922 16.145 1.00 0.00 N ATOM 0 H ARG A 104 -3.095 12.461 12.708 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.579 13.855 11.930 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.937 13.662 14.368 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.483 14.575 14.016 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.105 16.386 13.062 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.356 15.516 13.927 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -5.323 15.899 16.046 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.797 16.357 15.316 1.00 0.00 H new ATOM 0 HE ARG A 104 -5.837 18.174 14.430 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.970 17.276 17.288 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -4.060 18.891 17.997 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.948 20.247 15.345 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.176 20.567 16.902 1.00 0.00 H new ATOM 1593 N THR A 105 -4.482 15.405 10.359 1.00 0.00 N ATOM 1594 CA THR A 105 -3.876 16.338 9.418 1.00 0.00 C ATOM 1595 C THR A 105 -3.440 17.620 10.119 1.00 0.00 C ATOM 1596 O THR A 105 -3.829 17.879 11.258 1.00 0.00 O ATOM 1597 CB THR A 105 -4.846 16.694 8.276 1.00 0.00 C ATOM 1598 OG1 THR A 105 -6.134 17.017 8.811 1.00 0.00 O ATOM 1599 CG2 THR A 105 -4.973 15.539 7.294 1.00 0.00 C ATOM 0 H THR A 105 -5.466 15.204 10.179 1.00 0.00 H new ATOM 0 HA THR A 105 -3.001 15.841 8.999 1.00 0.00 H new ATOM 0 HB THR A 105 -4.447 17.558 7.745 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.661 17.488 8.132 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.663 15.814 6.496 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.995 15.315 6.867 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.352 14.659 7.814 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.632 18.419 9.431 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.144 19.676 9.987 1.00 0.00 C ATOM 1609 C LEU A 106 -3.084 20.826 9.640 1.00 0.00 C ATOM 1610 O LEU A 106 -3.859 20.742 8.687 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.738 19.976 9.464 1.00 0.00 C ATOM 1612 CG LEU A 106 0.356 18.993 9.881 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.632 19.249 9.094 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.621 19.091 11.376 1.00 0.00 C ATOM 0 H LEU A 106 -2.301 18.219 8.487 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.108 19.575 11.072 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.776 20.006 8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.451 20.972 9.801 1.00 0.00 H new ATOM 0 HG LEU A 106 0.013 17.983 9.659 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.399 18.540 9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.434 19.126 8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.979 20.265 9.284 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.403 18.384 11.654 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.942 20.103 11.623 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.292 18.857 11.923 1.00 0.00 H new ATOM 1626 N SER A 107 -3.008 21.901 10.417 1.00 0.00 N ATOM 1627 CA SER A 107 -3.852 23.069 10.193 1.00 0.00 C ATOM 1628 C SER A 107 -3.201 24.028 9.202 1.00 0.00 C ATOM 1629 O SER A 107 -3.886 24.735 8.464 1.00 0.00 O ATOM 1630 CB SER A 107 -4.123 23.790 11.515 1.00 0.00 C ATOM 1631 OG SER A 107 -5.286 24.595 11.428 1.00 0.00 O ATOM 0 H SER A 107 -2.370 21.988 11.208 1.00 0.00 H new ATOM 0 HA SER A 107 -4.798 22.727 9.773 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.242 23.058 12.314 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.266 24.411 11.777 1.00 0.00 H new ATOM 0 HG SER A 107 -5.438 25.044 12.286 1.00 0.00 H new