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= -4.31! K(o=-4.3!,f=-2.3) USER MOD Set 2.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 24 SER OG : rot 180:sc= -0.342 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.56) 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 22 THR OG1 : rot 180:sc= 0.00293 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -177:sc= -0.0293 (180deg=-0.0347) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -2.41 K(o=-2.4,f=-4.6!) 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 60:sc= 0.87 USER MOD Single : A 83 TYR OH : rot 30:sc= 0.0568 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 HD1:sc= -1.04 K(o=-1,f=-0.17) USER MOD Single : A 95 LYS NZ :NH3+ -162:sc= 0.213 (180deg=0.0926) USER MOD Single : A 98 SER OG : rot -4:sc= 0.616 USER MOD Single : A 100 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.8!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00643 USER MOD Single : A 105 THR OG1 : rot 170:sc= 1.56 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 11 -0.401 -11.353 7.476 1.00 0.00 N ATOM 116 CA ARG A 11 -0.976 -10.271 8.265 1.00 0.00 C ATOM 117 C ARG A 11 -0.294 -8.944 7.947 1.00 0.00 C ATOM 118 O ARG A 11 0.785 -8.914 7.355 1.00 0.00 O ATOM 119 CB ARG A 11 -0.848 -10.577 9.759 1.00 0.00 C ATOM 120 CG ARG A 11 -1.704 -11.748 10.216 1.00 0.00 C ATOM 121 CD ARG A 11 -3.166 -11.352 10.345 1.00 0.00 C ATOM 122 NE ARG A 11 -3.894 -12.237 11.251 1.00 0.00 N ATOM 123 CZ ARG A 11 -3.828 -12.150 12.574 1.00 0.00 C ATOM 124 NH1 ARG A 11 -3.070 -11.223 13.144 1.00 0.00 N ATOM 125 NH2 ARG A 11 -4.520 -12.992 13.331 1.00 0.00 N ATOM 0 HA ARG A 11 -2.032 -10.188 8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.196 -10.789 9.990 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.127 -9.690 10.328 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.610 -12.569 9.505 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.339 -12.114 11.176 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.233 -10.326 10.708 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.636 -11.374 9.362 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.486 -12.962 10.845 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.536 -10.575 12.566 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.021 -11.158 14.161 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.103 -13.707 12.896 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.469 -12.924 14.347 1.00 0.00 H new ATOM 139 N LEU A 12 -0.932 -7.847 8.343 1.00 0.00 N ATOM 140 CA LEU A 12 -0.387 -6.516 8.100 1.00 0.00 C ATOM 141 C LEU A 12 0.386 -6.014 9.315 1.00 0.00 C ATOM 142 O LEU A 12 0.182 -6.487 10.432 1.00 0.00 O ATOM 143 CB LEU A 12 -1.513 -5.538 7.758 1.00 0.00 C ATOM 144 CG LEU A 12 -1.993 -5.549 6.306 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.417 -5.024 6.211 1.00 0.00 C ATOM 146 CD2 LEU A 12 -1.060 -4.727 5.429 1.00 0.00 C ATOM 0 H LEU A 12 -1.826 -7.854 8.833 1.00 0.00 H new ATOM 0 HA LEU A 12 0.300 -6.580 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.364 -5.755 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.178 -4.530 8.001 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.982 -6.578 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.742 -5.039 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.078 -5.654 6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.454 -4.002 6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.417 -4.746 4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.038 -3.697 5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.055 -5.148 5.472 1.00 0.00 H new ATOM 158 N SER A 13 1.274 -5.051 9.088 1.00 0.00 N ATOM 159 CA SER A 13 2.080 -4.485 10.164 1.00 0.00 C ATOM 160 C SER A 13 1.486 -3.167 10.651 1.00 0.00 C ATOM 161 O SER A 13 0.437 -2.734 10.176 1.00 0.00 O ATOM 162 CB SER A 13 3.518 -4.267 9.691 1.00 0.00 C ATOM 163 OG SER A 13 4.432 -4.390 10.767 1.00 0.00 O ATOM 0 H SER A 13 1.454 -4.647 8.169 1.00 0.00 H new ATOM 0 HA SER A 13 2.082 -5.191 10.995 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.764 -4.993 8.916 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.611 -3.278 9.242 1.00 0.00 H new ATOM 0 HG SER A 13 5.344 -4.248 10.439 1.00 0.00 H new ATOM 169 N GLN A 14 2.167 -2.534 11.601 1.00 0.00 N ATOM 170 CA GLN A 14 1.707 -1.265 12.153 1.00 0.00 C ATOM 171 C GLN A 14 1.606 -0.202 11.064 1.00 0.00 C ATOM 172 O GLN A 14 2.618 0.260 10.537 1.00 0.00 O ATOM 173 CB GLN A 14 2.655 -0.792 13.257 1.00 0.00 C ATOM 174 CG GLN A 14 4.115 -0.762 12.834 1.00 0.00 C ATOM 175 CD GLN A 14 5.037 -0.317 13.952 1.00 0.00 C ATOM 176 OE1 GLN A 14 4.648 0.466 14.819 1.00 0.00 O ATOM 177 NE2 GLN A 14 6.268 -0.816 13.938 1.00 0.00 N ATOM 0 H GLN A 14 3.038 -2.879 12.004 1.00 0.00 H new ATOM 0 HA GLN A 14 0.715 -1.420 12.577 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.357 0.207 13.577 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.549 -1.448 14.121 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.412 -1.755 12.497 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.229 -0.089 11.984 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.548 -1.462 13.200 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.933 -0.553 14.665 1.00 0.00 H new ATOM 186 N LEU A 15 0.378 0.181 10.732 1.00 0.00 N ATOM 187 CA LEU A 15 0.143 1.190 9.704 1.00 0.00 C ATOM 188 C LEU A 15 0.223 2.595 10.293 1.00 0.00 C ATOM 189 O LEU A 15 -0.701 3.049 10.967 1.00 0.00 O ATOM 190 CB LEU A 15 -1.224 0.974 9.053 1.00 0.00 C ATOM 191 CG LEU A 15 -1.716 2.097 8.139 1.00 0.00 C ATOM 192 CD1 LEU A 15 -0.937 2.102 6.832 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.207 1.952 7.872 1.00 0.00 C ATOM 0 H LEU A 15 -0.470 -0.191 11.159 1.00 0.00 H new ATOM 0 HA LEU A 15 0.919 1.089 8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.187 0.051 8.474 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.961 0.826 9.842 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.548 3.049 8.642 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.301 2.908 6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.122 2.254 7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.073 1.147 6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.540 2.759 7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.399 0.994 7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.752 1.999 8.815 1.00 0.00 H new ATOM 205 N SER A 16 1.332 3.279 10.031 1.00 0.00 N ATOM 206 CA SER A 16 1.533 4.632 10.536 1.00 0.00 C ATOM 207 C SER A 16 1.403 5.656 9.413 1.00 0.00 C ATOM 208 O SER A 16 1.454 5.309 8.232 1.00 0.00 O ATOM 209 CB SER A 16 2.908 4.754 11.196 1.00 0.00 C ATOM 210 OG SER A 16 2.958 4.026 12.411 1.00 0.00 O ATOM 0 H SER A 16 2.105 2.918 9.472 1.00 0.00 H new ATOM 0 HA SER A 16 0.762 4.834 11.279 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.675 4.385 10.516 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.131 5.804 11.388 1.00 0.00 H new ATOM 0 HG SER A 16 3.848 4.119 12.812 1.00 0.00 H new ATOM 216 N VAL A 17 1.235 6.919 9.789 1.00 0.00 N ATOM 217 CA VAL A 17 1.099 7.995 8.815 1.00 0.00 C ATOM 218 C VAL A 17 2.297 8.936 8.863 1.00 0.00 C ATOM 219 O VAL A 17 2.632 9.480 9.916 1.00 0.00 O ATOM 220 CB VAL A 17 -0.188 8.808 9.053 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.343 9.886 7.991 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.401 7.891 9.074 1.00 0.00 C ATOM 0 H VAL A 17 1.190 7.223 10.762 1.00 0.00 H new ATOM 0 HA VAL A 17 1.048 7.527 7.832 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.114 9.297 10.024 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.257 10.450 8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.513 10.560 8.029 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.396 9.422 7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.301 8.482 9.243 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.482 7.372 8.119 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.291 7.160 9.875 1.00 0.00 H new ATOM 232 N THR A 18 2.942 9.125 7.715 1.00 0.00 N ATOM 233 CA THR A 18 4.104 9.999 7.626 1.00 0.00 C ATOM 234 C THR A 18 3.874 11.118 6.616 1.00 0.00 C ATOM 235 O THR A 18 3.019 11.008 5.738 1.00 0.00 O ATOM 236 CB THR A 18 5.368 9.215 7.228 1.00 0.00 C ATOM 237 OG1 THR A 18 5.211 8.667 5.914 1.00 0.00 O ATOM 238 CG2 THR A 18 5.645 8.095 8.220 1.00 0.00 C ATOM 0 H THR A 18 2.678 8.684 6.834 1.00 0.00 H new ATOM 0 HA THR A 18 4.251 10.431 8.616 1.00 0.00 H new ATOM 0 HB THR A 18 6.213 9.903 7.236 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.020 8.171 5.668 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.543 7.555 7.918 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.793 8.518 9.214 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.798 7.409 8.240 1.00 0.00 H new ATOM 246 N ASP A 19 4.644 12.193 6.746 1.00 0.00 N ATOM 247 CA ASP A 19 4.525 13.331 5.842 1.00 0.00 C ATOM 248 C ASP A 19 3.152 13.984 5.967 1.00 0.00 C ATOM 249 O ASP A 19 2.631 14.548 5.005 1.00 0.00 O ATOM 250 CB ASP A 19 4.764 12.890 4.397 1.00 0.00 C ATOM 251 CG ASP A 19 5.380 13.987 3.552 1.00 0.00 C ATOM 252 OD1 ASP A 19 6.153 14.799 4.103 1.00 0.00 O ATOM 253 OD2 ASP A 19 5.090 14.034 2.338 1.00 0.00 O ATOM 0 H ASP A 19 5.357 12.300 7.468 1.00 0.00 H new ATOM 0 HA ASP A 19 5.283 14.064 6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.419 12.019 4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.818 12.581 3.953 1.00 0.00 H new ATOM 258 N VAL A 20 2.570 13.901 7.159 1.00 0.00 N ATOM 259 CA VAL A 20 1.257 14.483 7.411 1.00 0.00 C ATOM 260 C VAL A 20 1.163 15.895 6.842 1.00 0.00 C ATOM 261 O VAL A 20 1.694 16.845 7.419 1.00 0.00 O ATOM 262 CB VAL A 20 0.941 14.526 8.918 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.452 15.090 9.156 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.076 13.140 9.530 1.00 0.00 C ATOM 0 H VAL A 20 2.987 13.436 7.966 1.00 0.00 H new ATOM 0 HA VAL A 20 0.527 13.844 6.913 1.00 0.00 H new ATOM 0 HB VAL A 20 1.661 15.184 9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.657 15.113 10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.508 16.102 8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.189 14.460 8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.849 13.189 10.595 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.380 12.457 9.042 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.095 12.779 9.392 1.00 0.00 H new ATOM 274 N THR A 21 0.484 16.026 5.707 1.00 0.00 N ATOM 275 CA THR A 21 0.321 17.322 5.059 1.00 0.00 C ATOM 276 C THR A 21 -0.921 18.041 5.573 1.00 0.00 C ATOM 277 O THR A 21 -1.809 17.425 6.163 1.00 0.00 O ATOM 278 CB THR A 21 0.220 17.176 3.529 1.00 0.00 C ATOM 279 OG1 THR A 21 0.964 16.032 3.096 1.00 0.00 O ATOM 280 CG2 THR A 21 0.744 18.422 2.831 1.00 0.00 C ATOM 0 H THR A 21 0.038 15.250 5.217 1.00 0.00 H new ATOM 0 HA THR A 21 1.205 17.911 5.303 1.00 0.00 H new ATOM 0 HB THR A 21 -0.830 17.046 3.267 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.893 15.945 2.122 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.663 18.296 1.751 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.157 19.287 3.140 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.789 18.578 3.100 1.00 0.00 H new ATOM 288 N THR A 22 -0.978 19.349 5.345 1.00 0.00 N ATOM 289 CA THR A 22 -2.112 20.153 5.785 1.00 0.00 C ATOM 290 C THR A 22 -3.433 19.462 5.464 1.00 0.00 C ATOM 291 O THR A 22 -4.277 19.279 6.341 1.00 0.00 O ATOM 292 CB THR A 22 -2.101 21.546 5.128 1.00 0.00 C ATOM 293 OG1 THR A 22 -1.559 21.461 3.806 1.00 0.00 O ATOM 294 CG2 THR A 22 -1.284 22.527 5.955 1.00 0.00 C ATOM 0 H THR A 22 -0.252 19.875 4.858 1.00 0.00 H new ATOM 0 HA THR A 22 -2.018 20.268 6.865 1.00 0.00 H new ATOM 0 HB THR A 22 -3.128 21.907 5.075 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.557 22.351 3.395 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.290 23.504 5.472 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.718 22.612 6.951 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.258 22.169 6.035 1.00 0.00 H new ATOM 302 N SER A 23 -3.605 19.081 4.203 1.00 0.00 N ATOM 303 CA SER A 23 -4.825 18.413 3.766 1.00 0.00 C ATOM 304 C SER A 23 -4.507 17.068 3.121 1.00 0.00 C ATOM 305 O SER A 23 -5.284 16.554 2.316 1.00 0.00 O ATOM 306 CB SER A 23 -5.590 19.297 2.778 1.00 0.00 C ATOM 307 OG SER A 23 -4.838 19.509 1.596 1.00 0.00 O ATOM 0 H SER A 23 -2.915 19.223 3.466 1.00 0.00 H new ATOM 0 HA SER A 23 -5.448 18.237 4.643 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.542 18.829 2.528 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.819 20.255 3.244 1.00 0.00 H new ATOM 0 HG SER A 23 -5.349 20.075 0.980 1.00 0.00 H new ATOM 313 N SER A 24 -3.359 16.503 3.481 1.00 0.00 N ATOM 314 CA SER A 24 -2.935 15.219 2.936 1.00 0.00 C ATOM 315 C SER A 24 -1.979 14.512 3.892 1.00 0.00 C ATOM 316 O SER A 24 -1.670 15.021 4.970 1.00 0.00 O ATOM 317 CB SER A 24 -2.262 15.415 1.576 1.00 0.00 C ATOM 318 OG SER A 24 -3.045 16.245 0.735 1.00 0.00 O ATOM 0 H SER A 24 -2.706 16.914 4.148 1.00 0.00 H new ATOM 0 HA SER A 24 -3.821 14.596 2.809 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.276 15.859 1.715 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.111 14.447 1.098 1.00 0.00 H new ATOM 0 HG SER A 24 -2.593 16.356 -0.127 1.00 0.00 H new ATOM 324 N LEU A 25 -1.513 13.335 3.489 1.00 0.00 N ATOM 325 CA LEU A 25 -0.591 12.556 4.308 1.00 0.00 C ATOM 326 C LEU A 25 -0.110 11.317 3.559 1.00 0.00 C ATOM 327 O LEU A 25 -0.512 11.072 2.422 1.00 0.00 O ATOM 328 CB LEU A 25 -1.265 12.144 5.618 1.00 0.00 C ATOM 329 CG LEU A 25 -2.749 11.787 5.526 1.00 0.00 C ATOM 330 CD1 LEU A 25 -2.957 10.607 4.590 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.311 11.481 6.907 1.00 0.00 C ATOM 0 H LEU A 25 -1.759 12.899 2.600 1.00 0.00 H new ATOM 0 HA LEU A 25 0.274 13.181 4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.730 11.286 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.151 12.958 6.334 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.285 12.645 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.019 10.367 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.593 10.863 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.408 9.743 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.368 11.229 6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.771 10.639 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.197 12.355 7.548 1.00 0.00 H new ATOM 343 N ARG A 26 0.751 10.538 4.206 1.00 0.00 N ATOM 344 CA ARG A 26 1.285 9.324 3.602 1.00 0.00 C ATOM 345 C ARG A 26 1.188 8.147 4.568 1.00 0.00 C ATOM 346 O ARG A 26 1.268 8.321 5.785 1.00 0.00 O ATOM 347 CB ARG A 26 2.742 9.535 3.184 1.00 0.00 C ATOM 348 CG ARG A 26 3.210 8.576 2.101 1.00 0.00 C ATOM 349 CD ARG A 26 4.719 8.390 2.136 1.00 0.00 C ATOM 350 NE ARG A 26 5.423 9.514 1.524 1.00 0.00 N ATOM 351 CZ ARG A 26 6.737 9.541 1.334 1.00 0.00 C ATOM 352 NH1 ARG A 26 7.486 8.512 1.706 1.00 0.00 N ATOM 353 NH2 ARG A 26 7.305 10.599 0.770 1.00 0.00 N ATOM 0 H ARG A 26 1.093 10.726 5.148 1.00 0.00 H new ATOM 0 HA ARG A 26 0.689 9.096 2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.865 10.558 2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.382 9.422 4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.720 7.611 2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.912 8.955 1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.046 8.276 3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.983 7.470 1.615 1.00 0.00 H new ATOM 0 HE ARG A 26 4.876 10.322 1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.053 7.696 2.140 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.495 8.536 1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.732 11.392 0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.314 10.619 0.624 1.00 0.00 H new ATOM 367 N LEU A 27 1.015 6.950 4.019 1.00 0.00 N ATOM 368 CA LEU A 27 0.906 5.743 4.832 1.00 0.00 C ATOM 369 C LEU A 27 2.060 4.788 4.546 1.00 0.00 C ATOM 370 O LEU A 27 2.695 4.863 3.495 1.00 0.00 O ATOM 371 CB LEU A 27 -0.428 5.044 4.566 1.00 0.00 C ATOM 372 CG LEU A 27 -1.652 5.648 5.256 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.933 5.111 4.636 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.618 5.360 6.750 1.00 0.00 C ATOM 0 H LEU A 27 0.947 6.789 3.014 1.00 0.00 H new ATOM 0 HA LEU A 27 0.953 6.036 5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.606 5.042 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.338 4.003 4.876 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.630 6.729 5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.793 5.552 5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.961 5.369 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.964 4.027 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.496 5.797 7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.616 4.282 6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.717 5.794 7.184 1.00 0.00 H new ATOM 386 N ASN A 28 2.324 3.888 5.488 1.00 0.00 N ATOM 387 CA ASN A 28 3.401 2.916 5.336 1.00 0.00 C ATOM 388 C ASN A 28 3.134 1.673 6.179 1.00 0.00 C ATOM 389 O ASN A 28 3.009 1.755 7.401 1.00 0.00 O ATOM 390 CB ASN A 28 4.739 3.540 5.735 1.00 0.00 C ATOM 391 CG ASN A 28 5.168 4.644 4.788 1.00 0.00 C ATOM 392 OD1 ASN A 28 6.013 4.436 3.916 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.587 5.826 4.954 1.00 0.00 N ATOM 0 H ASN A 28 1.807 3.812 6.364 1.00 0.00 H new ATOM 0 HA ASN A 28 3.445 2.620 4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.663 3.941 6.746 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.506 2.766 5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.836 6.606 4.346 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.892 5.954 5.689 1.00 0.00 H new ATOM 400 N TRP A 29 3.050 0.524 5.519 1.00 0.00 N ATOM 401 CA TRP A 29 2.799 -0.736 6.208 1.00 0.00 C ATOM 402 C TRP A 29 3.698 -1.842 5.666 1.00 0.00 C ATOM 403 O TRP A 29 4.058 -1.838 4.489 1.00 0.00 O ATOM 404 CB TRP A 29 1.330 -1.138 6.062 1.00 0.00 C ATOM 405 CG TRP A 29 0.914 -1.359 4.639 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.999 -2.524 3.932 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.350 -0.388 3.751 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.521 -2.336 2.657 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.116 -1.034 2.521 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.018 0.964 3.875 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.433 -0.373 1.426 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.527 1.618 2.787 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.748 0.950 1.575 1.00 0.00 C ATOM 0 H TRP A 29 3.152 0.439 4.508 1.00 0.00 H new ATOM 0 HA TRP A 29 3.026 -0.594 7.265 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.152 -2.050 6.631 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.703 -0.362 6.500 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.385 -3.456 4.318 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.475 -3.050 1.930 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.185 1.488 4.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.604 -0.887 0.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.787 2.663 2.872 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.175 1.490 0.743 1.00 0.00 H new ATOM 424 N GLU A 30 4.056 -2.786 6.530 1.00 0.00 N ATOM 425 CA GLU A 30 4.913 -3.897 6.135 1.00 0.00 C ATOM 426 C GLU A 30 4.103 -5.181 5.979 1.00 0.00 C ATOM 427 O GLU A 30 3.269 -5.507 6.822 1.00 0.00 O ATOM 428 CB GLU A 30 6.024 -4.105 7.167 1.00 0.00 C ATOM 429 CG GLU A 30 6.960 -5.254 6.831 1.00 0.00 C ATOM 430 CD GLU A 30 8.181 -5.294 7.730 1.00 0.00 C ATOM 431 OE1 GLU A 30 8.648 -4.213 8.145 1.00 0.00 O ATOM 432 OE2 GLU A 30 8.668 -6.407 8.018 1.00 0.00 O ATOM 0 H GLU A 30 3.766 -2.804 7.508 1.00 0.00 H new ATOM 0 HA GLU A 30 5.362 -3.651 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.605 -3.187 7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.573 -4.288 8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.419 -6.196 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.280 -5.165 5.793 1.00 0.00 H new ATOM 439 N ALA A 31 4.356 -5.904 4.893 1.00 0.00 N ATOM 440 CA ALA A 31 3.652 -7.152 4.626 1.00 0.00 C ATOM 441 C ALA A 31 4.586 -8.188 4.009 1.00 0.00 C ATOM 442 O ALA A 31 5.538 -7.858 3.301 1.00 0.00 O ATOM 443 CB ALA A 31 2.462 -6.902 3.712 1.00 0.00 C ATOM 0 H ALA A 31 5.043 -5.647 4.184 1.00 0.00 H new ATOM 0 HA ALA A 31 3.290 -7.546 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.946 -7.843 3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.776 -6.202 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.810 -6.481 2.769 1.00 0.00 H new ATOM 449 N PRO A 32 4.311 -9.472 4.283 1.00 0.00 N ATOM 450 CA PRO A 32 5.115 -10.582 3.764 1.00 0.00 C ATOM 451 C PRO A 32 4.949 -10.765 2.260 1.00 0.00 C ATOM 452 O PRO A 32 4.066 -10.180 1.633 1.00 0.00 O ATOM 453 CB PRO A 32 4.567 -11.798 4.515 1.00 0.00 C ATOM 454 CG PRO A 32 3.172 -11.423 4.877 1.00 0.00 C ATOM 455 CD PRO A 32 3.192 -9.939 5.119 1.00 0.00 C ATOM 0 HA PRO A 32 6.182 -10.417 3.913 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.587 -12.691 3.890 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.161 -12.016 5.402 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.479 -11.678 4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.842 -11.959 5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.251 -9.472 4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.352 -9.706 6.172 1.00 0.00 H new ATOM 463 N PRO A 33 5.816 -11.598 1.664 1.00 0.00 N ATOM 464 CA PRO A 33 5.784 -11.878 0.226 1.00 0.00 C ATOM 465 C PRO A 33 4.566 -12.702 -0.177 1.00 0.00 C ATOM 466 O PRO A 33 4.144 -13.600 0.550 1.00 0.00 O ATOM 467 CB PRO A 33 7.070 -12.675 -0.009 1.00 0.00 C ATOM 468 CG PRO A 33 7.372 -13.303 1.308 1.00 0.00 C ATOM 469 CD PRO A 33 6.894 -12.330 2.350 1.00 0.00 C ATOM 0 HA PRO A 33 5.718 -10.965 -0.366 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.933 -13.428 -0.785 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.884 -12.027 -0.335 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.865 -14.263 1.408 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.440 -13.494 1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.529 -12.842 3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.692 -11.661 2.672 1.00 0.00 H new ATOM 477 N GLY A 34 4.005 -12.390 -1.342 1.00 0.00 N ATOM 478 CA GLY A 34 2.841 -13.111 -1.821 1.00 0.00 C ATOM 479 C GLY A 34 1.759 -13.232 -0.767 1.00 0.00 C ATOM 480 O GLY A 34 1.088 -14.259 -0.671 1.00 0.00 O ATOM 0 H GLY A 34 4.336 -11.651 -1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.436 -12.601 -2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.142 -14.108 -2.144 1.00 0.00 H new ATOM 484 N ALA A 35 1.589 -12.180 0.028 1.00 0.00 N ATOM 485 CA ALA A 35 0.581 -12.173 1.080 1.00 0.00 C ATOM 486 C ALA A 35 -0.794 -11.820 0.522 1.00 0.00 C ATOM 487 O ALA A 35 -1.718 -12.633 0.560 1.00 0.00 O ATOM 488 CB ALA A 35 0.972 -11.196 2.179 1.00 0.00 C ATOM 0 H ALA A 35 2.137 -11.322 -0.037 1.00 0.00 H new ATOM 0 HA ALA A 35 0.526 -13.176 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.210 -11.201 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.930 -11.493 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.057 -10.193 1.761 1.00 0.00 H new ATOM 494 N PHE A 36 -0.922 -10.603 0.003 1.00 0.00 N ATOM 495 CA PHE A 36 -2.185 -10.143 -0.562 1.00 0.00 C ATOM 496 C PHE A 36 -1.991 -9.645 -1.991 1.00 0.00 C ATOM 497 O PHE A 36 -1.004 -8.977 -2.299 1.00 0.00 O ATOM 498 CB PHE A 36 -2.779 -9.028 0.302 1.00 0.00 C ATOM 499 CG PHE A 36 -2.687 -9.300 1.777 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.702 -9.976 2.434 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.586 -8.879 2.505 1.00 0.00 C ATOM 502 CE1 PHE A 36 -3.620 -10.227 3.791 1.00 0.00 C ATOM 503 CE2 PHE A 36 -1.498 -9.127 3.862 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.517 -9.803 4.505 1.00 0.00 C ATOM 0 H PHE A 36 -0.167 -9.918 -0.038 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.875 -10.986 -0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.264 -8.093 0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.825 -8.887 0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.567 -10.311 1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.787 -8.351 2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.418 -10.754 4.292 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.635 -8.793 4.418 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.451 -10.000 5.565 1.00 0.00 H new ATOM 514 N ASP A 37 -2.941 -9.975 -2.860 1.00 0.00 N ATOM 515 CA ASP A 37 -2.876 -9.562 -4.257 1.00 0.00 C ATOM 516 C ASP A 37 -2.792 -8.043 -4.371 1.00 0.00 C ATOM 517 O ASP A 37 -1.954 -7.510 -5.098 1.00 0.00 O ATOM 518 CB ASP A 37 -4.098 -10.076 -5.020 1.00 0.00 C ATOM 519 CG ASP A 37 -3.959 -9.904 -6.520 1.00 0.00 C ATOM 520 OD1 ASP A 37 -2.884 -10.242 -7.059 1.00 0.00 O ATOM 521 OD2 ASP A 37 -4.925 -9.431 -7.155 1.00 0.00 O ATOM 0 H ASP A 37 -3.765 -10.527 -2.621 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.976 -9.992 -4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.249 -11.131 -4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.986 -9.545 -4.677 1.00 0.00 H new ATOM 526 N SER A 38 -3.667 -7.351 -3.648 1.00 0.00 N ATOM 527 CA SER A 38 -3.695 -5.893 -3.672 1.00 0.00 C ATOM 528 C SER A 38 -4.104 -5.335 -2.312 1.00 0.00 C ATOM 529 O SER A 38 -4.379 -6.087 -1.377 1.00 0.00 O ATOM 530 CB SER A 38 -4.661 -5.398 -4.750 1.00 0.00 C ATOM 531 OG SER A 38 -5.909 -6.063 -4.661 1.00 0.00 O ATOM 0 H SER A 38 -4.366 -7.776 -3.039 1.00 0.00 H new ATOM 0 HA SER A 38 -2.691 -5.539 -3.904 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.810 -4.323 -4.644 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.227 -5.564 -5.736 1.00 0.00 H new ATOM 0 HG SER A 38 -6.509 -5.728 -5.360 1.00 0.00 H new ATOM 537 N PHE A 39 -4.140 -4.011 -2.209 1.00 0.00 N ATOM 538 CA PHE A 39 -4.514 -3.350 -0.964 1.00 0.00 C ATOM 539 C PHE A 39 -5.530 -2.241 -1.220 1.00 0.00 C ATOM 540 O PHE A 39 -5.238 -1.264 -1.912 1.00 0.00 O ATOM 541 CB PHE A 39 -3.275 -2.774 -0.276 1.00 0.00 C ATOM 542 CG PHE A 39 -2.493 -3.794 0.502 1.00 0.00 C ATOM 543 CD1 PHE A 39 -3.091 -4.510 1.527 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.161 -4.035 0.210 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.374 -5.449 2.244 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.439 -4.973 0.924 1.00 0.00 C ATOM 547 CZ PHE A 39 -1.046 -5.680 1.943 1.00 0.00 C ATOM 0 H PHE A 39 -3.915 -3.374 -2.973 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.972 -4.093 -0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.626 -2.327 -1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.582 -1.973 0.396 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.129 -4.332 1.768 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.681 -3.484 -0.585 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.852 -6.002 3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.599 -5.153 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.484 -6.412 2.503 1.00 0.00 H new ATOM 557 N LEU A 40 -6.723 -2.398 -0.660 1.00 0.00 N ATOM 558 CA LEU A 40 -7.784 -1.410 -0.827 1.00 0.00 C ATOM 559 C LEU A 40 -7.981 -0.601 0.451 1.00 0.00 C ATOM 560 O LEU A 40 -8.588 -1.075 1.412 1.00 0.00 O ATOM 561 CB LEU A 40 -9.093 -2.100 -1.214 1.00 0.00 C ATOM 562 CG LEU A 40 -10.151 -1.212 -1.872 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.718 -0.816 -3.275 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.496 -1.922 -1.907 1.00 0.00 C ATOM 0 H LEU A 40 -6.981 -3.200 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.490 -0.728 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.861 -2.920 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.526 -2.543 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.257 -0.305 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.483 -0.185 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.778 -0.267 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.583 -1.712 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.236 -1.276 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.405 -2.846 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.812 -2.154 -0.890 1.00 0.00 H new ATOM 576 N LEU A 41 -7.466 0.624 0.454 1.00 0.00 N ATOM 577 CA LEU A 41 -7.587 1.501 1.613 1.00 0.00 C ATOM 578 C LEU A 41 -8.903 2.272 1.578 1.00 0.00 C ATOM 579 O LEU A 41 -9.356 2.697 0.515 1.00 0.00 O ATOM 580 CB LEU A 41 -6.412 2.479 1.662 1.00 0.00 C ATOM 581 CG LEU A 41 -6.412 3.471 2.825 1.00 0.00 C ATOM 582 CD1 LEU A 41 -6.007 2.779 4.117 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.482 4.640 2.530 1.00 0.00 C ATOM 0 H LEU A 41 -6.961 1.032 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.574 0.881 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.487 1.903 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.396 3.043 0.730 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.423 3.859 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.013 3.501 4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.712 1.977 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.006 2.362 4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.495 5.336 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.468 4.270 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.817 5.153 1.628 1.00 0.00 H new ATOM 595 N ARG A 42 -9.510 2.450 2.746 1.00 0.00 N ATOM 596 CA ARG A 42 -10.773 3.170 2.849 1.00 0.00 C ATOM 597 C ARG A 42 -10.720 4.203 3.971 1.00 0.00 C ATOM 598 O ARG A 42 -10.628 3.854 5.148 1.00 0.00 O ATOM 599 CB ARG A 42 -11.924 2.192 3.097 1.00 0.00 C ATOM 600 CG ARG A 42 -12.502 1.597 1.823 1.00 0.00 C ATOM 601 CD ARG A 42 -13.605 0.596 2.126 1.00 0.00 C ATOM 602 NE ARG A 42 -14.863 1.255 2.468 1.00 0.00 N ATOM 603 CZ ARG A 42 -16.052 0.674 2.352 1.00 0.00 C ATOM 604 NH1 ARG A 42 -16.144 -0.571 1.906 1.00 0.00 N ATOM 605 NH2 ARG A 42 -17.152 1.338 2.683 1.00 0.00 N ATOM 0 H ARG A 42 -9.147 2.105 3.635 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.943 3.690 1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.571 1.384 3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.717 2.707 3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.896 2.395 1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.710 1.107 1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.757 -0.049 1.261 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.296 -0.046 2.951 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.826 2.214 2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.301 -1.085 1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.058 -1.015 1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.085 2.296 3.027 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -18.064 0.891 2.593 1.00 0.00 H new ATOM 619 N PHE A 43 -10.778 5.477 3.597 1.00 0.00 N ATOM 620 CA PHE A 43 -10.735 6.562 4.571 1.00 0.00 C ATOM 621 C PHE A 43 -12.056 7.326 4.593 1.00 0.00 C ATOM 622 O PHE A 43 -12.488 7.869 3.577 1.00 0.00 O ATOM 623 CB PHE A 43 -9.585 7.519 4.250 1.00 0.00 C ATOM 624 CG PHE A 43 -9.609 8.033 2.839 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.065 7.287 1.806 1.00 0.00 C ATOM 626 CD2 PHE A 43 -10.174 9.264 2.546 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.086 7.757 0.507 1.00 0.00 C ATOM 628 CE2 PHE A 43 -10.199 9.739 1.249 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.653 8.986 0.228 1.00 0.00 C ATOM 0 H PHE A 43 -10.855 5.783 2.627 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.571 6.126 5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.624 8.364 4.937 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.638 7.009 4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.619 6.327 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.600 9.859 3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.660 7.165 -0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.645 10.699 1.034 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.669 9.357 -0.786 1.00 0.00 H new ATOM 639 N GLY A 44 -12.692 7.363 5.760 1.00 0.00 N ATOM 640 CA GLY A 44 -13.957 8.062 5.893 1.00 0.00 C ATOM 641 C GLY A 44 -13.963 9.032 7.057 1.00 0.00 C ATOM 642 O GLY A 44 -13.115 8.953 7.946 1.00 0.00 O ATOM 0 H GLY A 44 -12.354 6.922 6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.168 8.604 4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.758 7.335 6.026 1.00 0.00 H new ATOM 646 N VAL A 45 -14.922 9.953 7.053 1.00 0.00 N ATOM 647 CA VAL A 45 -15.035 10.944 8.116 1.00 0.00 C ATOM 648 C VAL A 45 -15.856 10.407 9.283 1.00 0.00 C ATOM 649 O VAL A 45 -17.070 10.229 9.191 1.00 0.00 O ATOM 650 CB VAL A 45 -15.681 12.245 7.605 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.717 13.293 8.707 1.00 0.00 C ATOM 652 CG2 VAL A 45 -14.935 12.767 6.386 1.00 0.00 C ATOM 0 H VAL A 45 -15.632 10.033 6.325 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.022 11.159 8.456 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.708 12.028 7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.177 14.205 8.327 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.299 12.917 9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.701 13.509 9.037 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.405 13.687 6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.898 12.968 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.967 12.020 5.592 1.00 0.00 H new ATOM 662 N PRO A 46 -15.178 10.142 10.410 1.00 0.00 N ATOM 663 CA PRO A 46 -15.825 9.621 11.619 1.00 0.00 C ATOM 664 C PRO A 46 -16.724 10.656 12.286 1.00 0.00 C ATOM 665 O PRO A 46 -16.245 11.656 12.821 1.00 0.00 O ATOM 666 CB PRO A 46 -14.645 9.271 12.529 1.00 0.00 C ATOM 667 CG PRO A 46 -13.538 10.157 12.074 1.00 0.00 C ATOM 668 CD PRO A 46 -13.729 10.330 10.592 1.00 0.00 C ATOM 0 HA PRO A 46 -16.478 8.776 11.401 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.888 9.447 13.577 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.373 8.219 12.437 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.572 11.118 12.587 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.567 9.713 12.293 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.407 11.316 10.258 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.154 9.598 10.025 1.00 0.00 H new ATOM 923 N GLU A 62 -11.280 5.491 -2.579 1.00 0.00 N ATOM 924 CA GLU A 62 -10.483 4.326 -2.213 1.00 0.00 C ATOM 925 C GLU A 62 -9.229 4.233 -3.078 1.00 0.00 C ATOM 926 O GLU A 62 -9.244 4.597 -4.255 1.00 0.00 O ATOM 927 CB GLU A 62 -11.311 3.048 -2.357 1.00 0.00 C ATOM 928 CG GLU A 62 -12.790 3.245 -2.068 1.00 0.00 C ATOM 929 CD GLU A 62 -13.036 3.982 -0.766 1.00 0.00 C ATOM 930 OE1 GLU A 62 -12.088 4.098 0.039 1.00 0.00 O ATOM 931 OE2 GLU A 62 -14.177 4.443 -0.551 1.00 0.00 O ATOM 0 HA GLU A 62 -10.179 4.437 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.196 2.663 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.915 2.290 -1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.246 3.801 -2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.282 2.273 -2.030 1.00 0.00 H new ATOM 938 N LEU A 63 -8.145 3.743 -2.487 1.00 0.00 N ATOM 939 CA LEU A 63 -6.881 3.602 -3.202 1.00 0.00 C ATOM 940 C LEU A 63 -6.604 2.139 -3.534 1.00 0.00 C ATOM 941 O LEU A 63 -7.033 1.237 -2.815 1.00 0.00 O ATOM 942 CB LEU A 63 -5.733 4.173 -2.368 1.00 0.00 C ATOM 943 CG LEU A 63 -4.338 4.069 -2.985 1.00 0.00 C ATOM 944 CD1 LEU A 63 -4.186 5.058 -4.131 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.269 4.305 -1.929 1.00 0.00 C ATOM 0 H LEU A 63 -8.116 3.437 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.956 4.160 -4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.943 5.224 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.721 3.663 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.211 3.062 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.187 4.970 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.929 4.842 -4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.333 6.072 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.283 4.227 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.393 5.300 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.364 3.557 -1.142 1.00 0.00 H new ATOM 957 N MET A 64 -5.883 1.912 -4.627 1.00 0.00 N ATOM 958 CA MET A 64 -5.546 0.558 -5.052 1.00 0.00 C ATOM 959 C MET A 64 -4.037 0.398 -5.210 1.00 0.00 C ATOM 960 O MET A 64 -3.422 1.031 -6.069 1.00 0.00 O ATOM 961 CB MET A 64 -6.247 0.225 -6.370 1.00 0.00 C ATOM 962 CG MET A 64 -6.208 -1.253 -6.723 1.00 0.00 C ATOM 963 SD MET A 64 -7.572 -1.748 -7.794 1.00 0.00 S ATOM 964 CE MET A 64 -8.903 -1.890 -6.604 1.00 0.00 C ATOM 0 H MET A 64 -5.521 2.647 -5.234 1.00 0.00 H new ATOM 0 HA MET A 64 -5.888 -0.134 -4.282 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.286 0.549 -6.311 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.781 0.795 -7.174 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.263 -1.480 -7.217 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.238 -1.842 -5.807 1.00 0.00 H new ATOM 0 HE1 MET A 64 -9.804 -2.242 -7.106 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.621 -2.599 -5.826 1.00 0.00 H new ATOM 0 HE3 MET A 64 -9.095 -0.916 -6.155 1.00 0.00 H new ATOM 974 N VAL A 65 -3.446 -0.452 -4.377 1.00 0.00 N ATOM 975 CA VAL A 65 -2.009 -0.696 -4.425 1.00 0.00 C ATOM 976 C VAL A 65 -1.701 -2.185 -4.314 1.00 0.00 C ATOM 977 O VAL A 65 -2.275 -2.905 -3.497 1.00 0.00 O ATOM 978 CB VAL A 65 -1.275 0.054 -3.298 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.147 0.393 -3.720 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.038 1.311 -2.909 1.00 0.00 C ATOM 0 H VAL A 65 -3.940 -0.984 -3.660 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.657 -0.326 -5.388 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.224 -0.597 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.650 0.923 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.689 -0.526 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.122 1.025 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.505 1.828 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.122 1.968 -3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.035 1.039 -2.562 1.00 0.00 H new ATOM 990 N PRO A 66 -0.771 -2.661 -5.156 1.00 0.00 N ATOM 991 CA PRO A 66 -0.363 -4.068 -5.173 1.00 0.00 C ATOM 992 C PRO A 66 0.425 -4.458 -3.927 1.00 0.00 C ATOM 993 O PRO A 66 1.137 -3.638 -3.349 1.00 0.00 O ATOM 994 CB PRO A 66 0.521 -4.168 -6.418 1.00 0.00 C ATOM 995 CG PRO A 66 1.043 -2.787 -6.623 1.00 0.00 C ATOM 996 CD PRO A 66 -0.046 -1.860 -6.157 1.00 0.00 C ATOM 0 HA PRO A 66 -1.221 -4.740 -5.189 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.333 -4.880 -6.271 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.049 -4.508 -7.282 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.960 -2.628 -6.056 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.282 -2.612 -7.672 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.362 -0.947 -5.722 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.696 -1.559 -6.978 1.00 0.00 H new ATOM 1004 N GLY A 67 0.293 -5.716 -3.518 1.00 0.00 N ATOM 1005 CA GLY A 67 0.999 -6.192 -2.343 1.00 0.00 C ATOM 1006 C GLY A 67 2.436 -5.712 -2.296 1.00 0.00 C ATOM 1007 O GLY A 67 2.901 -5.218 -1.268 1.00 0.00 O ATOM 0 H GLY A 67 -0.290 -6.414 -3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.477 -5.854 -1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.983 -7.282 -2.330 1.00 0.00 H new ATOM 1011 N THR A 68 3.144 -5.858 -3.412 1.00 0.00 N ATOM 1012 CA THR A 68 4.537 -5.438 -3.493 1.00 0.00 C ATOM 1013 C THR A 68 4.709 -4.004 -3.008 1.00 0.00 C ATOM 1014 O THR A 68 5.740 -3.651 -2.436 1.00 0.00 O ATOM 1015 CB THR A 68 5.074 -5.549 -4.933 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.446 -5.143 -4.977 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.255 -4.688 -5.883 1.00 0.00 C ATOM 0 H THR A 68 2.775 -6.264 -4.272 1.00 0.00 H new ATOM 0 HA THR A 68 5.106 -6.107 -2.848 1.00 0.00 H new ATOM 0 HB THR A 68 4.993 -6.589 -5.248 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.780 -5.218 -5.895 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.652 -4.782 -6.894 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.216 -5.018 -5.869 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.309 -3.646 -5.568 1.00 0.00 H new ATOM 1025 N ARG A 69 3.692 -3.180 -3.239 1.00 0.00 N ATOM 1026 CA ARG A 69 3.731 -1.783 -2.825 1.00 0.00 C ATOM 1027 C ARG A 69 2.870 -1.559 -1.585 1.00 0.00 C ATOM 1028 O ARG A 69 1.683 -1.887 -1.573 1.00 0.00 O ATOM 1029 CB ARG A 69 3.252 -0.878 -3.962 1.00 0.00 C ATOM 1030 CG ARG A 69 4.376 -0.365 -4.847 1.00 0.00 C ATOM 1031 CD ARG A 69 3.836 0.405 -6.042 1.00 0.00 C ATOM 1032 NE ARG A 69 4.907 0.984 -6.848 1.00 0.00 N ATOM 1033 CZ ARG A 69 4.724 1.480 -8.067 1.00 0.00 C ATOM 1034 NH1 ARG A 69 3.518 1.467 -8.617 1.00 0.00 N ATOM 1035 NH2 ARG A 69 5.749 1.991 -8.738 1.00 0.00 N ATOM 0 H ARG A 69 2.831 -3.456 -3.711 1.00 0.00 H new ATOM 0 HA ARG A 69 4.763 -1.532 -2.580 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.539 -1.428 -4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.718 -0.028 -3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.034 0.280 -4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.978 -1.204 -5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.236 -0.261 -6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.175 1.198 -5.694 1.00 0.00 H new ATOM 0 HE ARG A 69 5.847 1.009 -6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.728 1.076 -8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.380 1.848 -9.553 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.678 2.003 -8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.607 2.371 -9.674 1.00 0.00 H new ATOM 1049 N HIS A 70 3.476 -0.998 -0.544 1.00 0.00 N ATOM 1050 CA HIS A 70 2.764 -0.730 0.701 1.00 0.00 C ATOM 1051 C HIS A 70 2.750 0.765 1.008 1.00 0.00 C ATOM 1052 O HIS A 70 3.370 1.217 1.970 1.00 0.00 O ATOM 1053 CB HIS A 70 3.412 -1.493 1.858 1.00 0.00 C ATOM 1054 CG HIS A 70 3.784 -2.902 1.512 1.00 0.00 C ATOM 1055 ND1 HIS A 70 5.049 -3.267 1.103 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.049 -4.038 1.517 1.00 0.00 C ATOM 1057 CE1 HIS A 70 5.076 -4.567 0.870 1.00 0.00 C ATOM 1058 NE2 HIS A 70 3.874 -5.059 1.115 1.00 0.00 N ATOM 0 H HIS A 70 4.457 -0.720 -0.537 1.00 0.00 H new ATOM 0 HA HIS A 70 1.735 -1.069 0.582 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.306 -0.958 2.180 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.726 -1.505 2.705 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.840 -2.632 0.997 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.007 -4.125 1.787 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.934 -5.132 0.536 1.00 0.00 H new ATOM 1067 N SER A 71 2.038 1.526 0.183 1.00 0.00 N ATOM 1068 CA SER A 71 1.946 2.970 0.363 1.00 0.00 C ATOM 1069 C SER A 71 0.542 3.470 0.036 1.00 0.00 C ATOM 1070 O SER A 71 -0.205 2.822 -0.696 1.00 0.00 O ATOM 1071 CB SER A 71 2.971 3.682 -0.522 1.00 0.00 C ATOM 1072 OG SER A 71 2.865 3.256 -1.869 1.00 0.00 O ATOM 0 H SER A 71 1.516 1.167 -0.617 1.00 0.00 H new ATOM 0 HA SER A 71 2.159 3.195 1.408 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.819 4.760 -0.465 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.977 3.482 -0.152 1.00 0.00 H new ATOM 0 HG SER A 71 3.529 3.727 -2.414 1.00 0.00 H new ATOM 1078 N ALA A 72 0.190 4.627 0.586 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.123 5.216 0.353 1.00 0.00 C ATOM 1080 C ALA A 72 -1.125 6.703 0.693 1.00 0.00 C ATOM 1081 O ALA A 72 -0.729 7.101 1.788 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.181 4.486 1.166 1.00 0.00 C ATOM 0 H ALA A 72 0.796 5.175 1.196 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.358 5.111 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.156 4.937 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.205 3.436 0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.941 4.561 2.227 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.574 7.521 -0.255 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.629 8.964 -0.056 1.00 0.00 C ATOM 1090 C VAL A 73 -3.030 9.503 -0.322 1.00 0.00 C ATOM 1091 O VAL A 73 -3.586 9.309 -1.404 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.627 9.695 -0.970 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.758 11.202 -0.808 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.794 9.240 -0.673 1.00 0.00 C ATOM 0 H VAL A 73 -1.905 7.208 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.363 9.150 0.985 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.856 9.444 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.043 11.702 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.769 11.510 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.556 11.476 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.489 9.766 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.037 9.460 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.876 8.167 -0.845 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.595 10.181 0.670 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.933 10.750 0.544 1.00 0.00 C ATOM 1106 C LEU A 74 -4.867 12.266 0.388 1.00 0.00 C ATOM 1107 O LEU A 74 -4.231 12.955 1.185 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.780 10.387 1.765 1.00 0.00 C ATOM 1109 CG LEU A 74 -5.942 8.894 2.049 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.301 8.144 0.776 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.672 8.327 2.665 1.00 0.00 C ATOM 0 H LEU A 74 -3.148 10.351 1.571 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.397 10.331 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.337 10.857 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.771 10.822 1.637 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.756 8.766 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.412 7.083 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.239 8.532 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.510 8.279 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.806 7.263 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.839 8.467 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.459 8.844 3.601 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.531 12.778 -0.643 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.549 14.213 -0.903 1.00 0.00 C ATOM 1125 C ARG A 75 -6.953 14.781 -0.720 1.00 0.00 C ATOM 1126 O ARG A 75 -7.928 14.035 -0.630 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.051 14.502 -2.320 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.580 14.181 -2.527 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.017 14.904 -3.741 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.365 14.230 -4.989 1.00 0.00 N ATOM 1131 CZ ARG A 75 -2.864 14.568 -6.171 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -1.996 15.566 -6.266 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -3.230 13.907 -7.262 1.00 0.00 N ATOM 0 H ARG A 75 -6.063 12.221 -1.312 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.884 14.695 -0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.643 13.924 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.220 15.555 -2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.016 14.466 -1.639 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.455 13.105 -2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.396 15.926 -3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.932 14.968 -3.654 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.029 13.457 -4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.712 16.076 -5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.613 15.824 -7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.897 13.138 -7.193 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.844 14.168 -8.170 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.047 16.105 -0.664 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.332 16.773 -0.492 1.00 0.00 C ATOM 1149 C ASP A 76 -8.914 16.484 0.888 1.00 0.00 C ATOM 1150 O ASP A 76 -10.117 16.262 1.032 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.313 16.327 -1.577 1.00 0.00 C ATOM 1152 CG ASP A 76 -10.361 17.380 -1.879 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -11.327 17.496 -1.097 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -10.215 18.087 -2.898 1.00 0.00 O ATOM 0 H ASP A 76 -6.249 16.737 -0.735 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.170 17.847 -0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.762 16.096 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.806 15.408 -1.261 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.053 16.488 1.900 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.482 16.225 3.270 1.00 0.00 C ATOM 1161 C LEU A 77 -8.814 17.525 3.995 1.00 0.00 C ATOM 1162 O LEU A 77 -8.519 18.614 3.504 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.392 15.467 4.029 1.00 0.00 C ATOM 1164 CG LEU A 77 -6.928 14.152 3.403 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -5.987 13.415 4.344 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.123 13.278 3.051 1.00 0.00 C ATOM 0 H LEU A 77 -7.055 16.670 1.798 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.383 15.612 3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.527 16.122 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.756 15.259 5.035 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.386 14.381 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.667 12.481 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.115 14.037 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.504 13.198 5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.774 12.346 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.692 13.058 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.761 13.803 2.340 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.427 17.402 5.168 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.799 18.567 5.962 1.00 0.00 C ATOM 1180 C ARG A 78 -8.606 19.081 6.762 1.00 0.00 C ATOM 1181 O ARG A 78 -7.622 18.368 6.957 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.950 18.220 6.908 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.869 19.394 7.203 1.00 0.00 C ATOM 1184 CD ARG A 78 -12.754 19.723 6.011 1.00 0.00 C ATOM 1185 NE ARG A 78 -12.126 20.691 5.115 1.00 0.00 N ATOM 1186 CZ ARG A 78 -12.195 22.006 5.289 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -12.860 22.508 6.321 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -11.598 22.823 4.431 1.00 0.00 N ATOM 0 H ARG A 78 -9.677 16.507 5.589 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.124 19.353 5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.536 17.411 6.472 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.539 17.847 7.846 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.492 19.162 8.067 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.272 20.267 7.466 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.975 18.809 5.460 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.706 20.120 6.364 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.606 20.338 4.312 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.320 21.884 6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.911 23.518 6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.085 22.442 3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.652 23.833 4.566 1.00 0.00 H new ATOM 1202 N SER A 79 -8.701 20.324 7.224 1.00 0.00 N ATOM 1203 CA SER A 79 -7.628 20.936 7.999 1.00 0.00 C ATOM 1204 C SER A 79 -7.682 20.480 9.454 1.00 0.00 C ATOM 1205 O SER A 79 -8.754 20.403 10.053 1.00 0.00 O ATOM 1206 CB SER A 79 -7.724 22.461 7.927 1.00 0.00 C ATOM 1207 OG SER A 79 -7.627 22.915 6.588 1.00 0.00 O ATOM 0 H SER A 79 -9.510 20.927 7.075 1.00 0.00 H new ATOM 0 HA SER A 79 -6.677 20.619 7.571 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.669 22.790 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.929 22.907 8.524 1.00 0.00 H new ATOM 0 HG SER A 79 -7.693 23.893 6.568 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.516 20.179 10.017 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.451 19.735 11.397 1.00 0.00 C ATOM 1215 C GLY A 80 -7.654 18.902 11.795 1.00 0.00 C ATOM 1216 O GLY A 80 -8.385 19.256 12.721 1.00 0.00 O ATOM 0 H GLY A 80 -5.615 20.235 9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.543 19.150 11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.381 20.603 12.052 1.00 0.00 H new ATOM 1220 N THR A 81 -7.861 17.792 11.094 1.00 0.00 N ATOM 1221 CA THR A 81 -8.985 16.908 11.377 1.00 0.00 C ATOM 1222 C THR A 81 -8.537 15.452 11.437 1.00 0.00 C ATOM 1223 O THR A 81 -7.675 15.024 10.668 1.00 0.00 O ATOM 1224 CB THR A 81 -10.092 17.049 10.315 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.429 18.430 10.140 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.333 16.267 10.719 1.00 0.00 C ATOM 0 H THR A 81 -7.265 17.484 10.326 1.00 0.00 H new ATOM 0 HA THR A 81 -9.383 17.204 12.348 1.00 0.00 H new ATOM 0 HB THR A 81 -9.717 16.644 9.375 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.637 18.925 9.844 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.101 16.382 9.954 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.080 15.212 10.824 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.709 16.646 11.669 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.128 14.694 12.354 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.791 13.284 12.514 1.00 0.00 C ATOM 1236 C LEU A 82 -9.528 12.428 11.489 1.00 0.00 C ATOM 1237 O LEU A 82 -10.748 12.518 11.351 1.00 0.00 O ATOM 1238 CB LEU A 82 -9.134 12.814 13.929 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.536 11.473 14.354 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -8.991 10.364 13.418 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -7.017 11.553 14.390 1.00 0.00 C ATOM 0 H LEU A 82 -9.843 15.032 12.998 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.719 13.172 12.350 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.803 13.577 14.634 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.219 12.749 14.016 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.891 11.241 15.358 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.555 9.417 13.737 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.078 10.290 13.443 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.666 10.589 12.402 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.609 10.589 14.695 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.643 11.809 13.399 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.710 12.319 15.102 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.779 11.596 10.773 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.361 10.723 9.760 1.00 0.00 C ATOM 1255 C TYR A 83 -9.161 9.256 10.125 1.00 0.00 C ATOM 1256 O TYR A 83 -8.142 8.882 10.705 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.739 11.009 8.392 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.452 12.095 7.618 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -10.550 11.798 6.818 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -9.029 13.416 7.684 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -11.204 12.786 6.108 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -9.678 14.411 6.979 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.765 14.091 6.192 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.414 15.078 5.487 1.00 0.00 O ATOM 0 H TYR A 83 -7.768 11.508 10.875 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.431 10.925 9.715 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.697 11.297 8.529 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.742 10.092 7.802 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -10.897 10.778 6.751 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.177 13.670 8.298 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -12.055 12.538 5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.336 15.434 7.044 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.359 14.840 5.386 1.00 0.00 H new ATOM 1274 N SER A 84 -10.142 8.428 9.780 1.00 0.00 N ATOM 1275 CA SER A 84 -10.077 7.001 10.074 1.00 0.00 C ATOM 1276 C SER A 84 -9.677 6.209 8.832 1.00 0.00 C ATOM 1277 O SER A 84 -10.442 6.107 7.873 1.00 0.00 O ATOM 1278 CB SER A 84 -11.426 6.504 10.597 1.00 0.00 C ATOM 1279 OG SER A 84 -11.375 5.122 10.908 1.00 0.00 O ATOM 0 H SER A 84 -10.991 8.721 9.297 1.00 0.00 H new ATOM 0 HA SER A 84 -9.319 6.847 10.842 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.706 7.070 11.486 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.198 6.683 9.849 1.00 0.00 H new ATOM 0 HG SER A 84 -12.249 4.829 11.242 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.472 5.649 8.858 1.00 0.00 N ATOM 1286 CA LEU A 85 -7.968 4.865 7.736 1.00 0.00 C ATOM 1287 C LEU A 85 -8.081 3.371 8.021 1.00 0.00 C ATOM 1288 O LEU A 85 -7.769 2.912 9.120 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.512 5.232 7.445 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.138 6.702 7.639 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.668 6.836 8.002 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.455 7.503 6.384 1.00 0.00 C ATOM 0 H LEU A 85 -7.826 5.724 9.644 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.576 5.096 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.871 4.627 8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.287 4.954 6.415 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.731 7.102 8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.421 7.889 8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.471 6.296 8.928 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.056 6.419 7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.182 8.547 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.889 7.102 5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.521 7.435 6.168 1.00 0.00 H new ATOM 1304 N THR A 86 -8.527 2.615 7.022 1.00 0.00 N ATOM 1305 CA THR A 86 -8.681 1.173 7.165 1.00 0.00 C ATOM 1306 C THR A 86 -8.220 0.444 5.908 1.00 0.00 C ATOM 1307 O THR A 86 -8.896 0.471 4.879 1.00 0.00 O ATOM 1308 CB THR A 86 -10.143 0.790 7.460 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.698 1.686 8.429 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.235 -0.640 7.971 1.00 0.00 C ATOM 0 H THR A 86 -8.788 2.978 6.105 1.00 0.00 H new ATOM 0 HA THR A 86 -8.058 0.871 8.007 1.00 0.00 H new ATOM 0 HB THR A 86 -10.710 0.864 6.532 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.628 1.437 8.610 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.277 -0.888 8.173 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.839 -1.322 7.218 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.655 -0.736 8.889 1.00 0.00 H new ATOM 1318 N LEU A 87 -7.065 -0.207 5.997 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.514 -0.944 4.866 1.00 0.00 C ATOM 1320 C LEU A 87 -7.073 -2.363 4.816 1.00 0.00 C ATOM 1321 O LEU A 87 -7.432 -2.936 5.845 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.987 -0.989 4.956 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.253 -1.428 3.689 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.420 -0.391 2.588 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.778 -1.664 3.982 1.00 0.00 C ATOM 0 H LEU A 87 -6.493 -0.239 6.841 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.803 -0.426 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.630 0.003 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.710 -1.665 5.765 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.690 -2.366 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.891 -0.721 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.479 -0.271 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.010 0.563 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.271 -1.976 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.328 -0.742 4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.677 -2.443 4.737 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.142 -2.924 3.614 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.657 -4.275 3.430 1.00 0.00 C ATOM 1339 C TYR A 88 -6.717 -5.103 2.558 1.00 0.00 C ATOM 1340 O TYR A 88 -6.359 -4.698 1.453 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.050 -4.231 2.798 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.117 -3.694 3.724 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.585 -4.451 4.791 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.658 -2.428 3.532 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.561 -3.965 5.639 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.634 -1.933 4.376 1.00 0.00 C ATOM 1347 CZ TYR A 88 -12.082 -2.705 5.427 1.00 0.00 C ATOM 1348 OH TYR A 88 -13.054 -2.216 6.271 1.00 0.00 O ATOM 0 H TYR A 88 -6.848 -2.464 2.753 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.724 -4.747 4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.014 -3.612 1.901 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.328 -5.236 2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.178 -5.437 4.960 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.310 -1.821 2.709 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.914 -4.567 6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.044 -0.947 4.213 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.313 -1.315 5.985 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.321 -6.266 3.065 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.427 -7.134 2.321 1.00 0.00 C ATOM 1360 C GLY A 89 -6.172 -8.094 1.415 1.00 0.00 C ATOM 1361 O GLY A 89 -6.572 -9.178 1.841 1.00 0.00 O ATOM 0 H GLY A 89 -6.603 -6.623 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.750 -6.525 1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.812 -7.702 3.019 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.360 -7.696 0.162 1.00 0.00 N ATOM 1366 CA LEU A 90 -7.064 -8.528 -0.808 1.00 0.00 C ATOM 1367 C LEU A 90 -6.213 -9.726 -1.216 1.00 0.00 C ATOM 1368 O LEU A 90 -5.216 -9.580 -1.923 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.433 -7.705 -2.044 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.696 -6.851 -1.929 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -9.909 -7.727 -1.655 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.534 -5.804 -0.837 1.00 0.00 C ATOM 0 H LEU A 90 -6.035 -6.802 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.977 -8.896 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.596 -7.049 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.554 -8.386 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.852 -6.337 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.799 -7.102 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.036 -8.438 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.763 -8.269 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.442 -5.205 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.353 -6.299 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.690 -5.157 -1.076 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.615 -10.911 -0.768 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.890 -12.135 -1.088 1.00 0.00 C ATOM 1386 C ARG A 91 -6.545 -12.866 -2.256 1.00 0.00 C ATOM 1387 O ARG A 91 -6.298 -14.050 -2.478 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.833 -13.053 0.135 1.00 0.00 C ATOM 1389 CG ARG A 91 -7.202 -13.465 0.651 1.00 0.00 C ATOM 1390 CD ARG A 91 -7.675 -14.759 0.007 1.00 0.00 C ATOM 1391 NE ARG A 91 -8.548 -15.524 0.893 1.00 0.00 N ATOM 1392 CZ ARG A 91 -8.120 -16.164 1.975 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -6.835 -16.130 2.304 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -8.976 -16.838 2.732 1.00 0.00 N ATOM 0 H ARG A 91 -7.439 -11.049 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.875 -11.862 -1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.265 -13.948 -0.119 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.290 -12.547 0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.162 -13.590 1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.922 -12.672 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.206 -14.531 -0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.811 -15.366 -0.264 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.542 -15.569 0.668 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.174 -15.612 1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.508 -16.622 3.135 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.965 -16.865 2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.645 -17.329 3.563 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.382 -12.150 -3.001 1.00 0.00 N ATOM 1409 CA GLY A 92 -8.060 -12.746 -4.137 1.00 0.00 C ATOM 1410 C GLY A 92 -9.467 -12.213 -4.317 1.00 0.00 C ATOM 1411 O GLY A 92 -9.674 -11.056 -4.684 1.00 0.00 O ATOM 0 H GLY A 92 -7.602 -11.168 -2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.484 -12.554 -5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.098 -13.828 -4.007 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.466 -13.070 -4.058 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.879 -12.702 -4.188 1.00 0.00 C ATOM 1417 C PRO A 93 -12.321 -11.710 -3.117 1.00 0.00 C ATOM 1418 O PRO A 93 -12.906 -10.670 -3.423 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.611 -14.035 -4.016 1.00 0.00 C ATOM 1420 CG PRO A 93 -11.682 -14.876 -3.211 1.00 0.00 C ATOM 1421 CD PRO A 93 -10.293 -14.464 -3.617 1.00 0.00 C ATOM 0 HA PRO A 93 -12.085 -12.207 -5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.565 -13.900 -3.506 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.827 -14.495 -4.980 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.839 -14.719 -2.144 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.847 -15.936 -3.405 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.593 -14.538 -2.785 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.905 -15.094 -4.418 1.00 0.00 H new ATOM 1429 N HIS A 94 -12.036 -12.037 -1.861 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.403 -11.173 -0.744 1.00 0.00 C ATOM 1431 C HIS A 94 -11.182 -10.837 0.107 1.00 0.00 C ATOM 1432 O HIS A 94 -10.179 -11.551 0.083 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.471 -11.846 0.119 1.00 0.00 C ATOM 1434 CG HIS A 94 -13.072 -13.201 0.617 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -13.853 -14.325 0.448 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -11.967 -13.609 1.283 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -13.245 -15.366 0.989 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -12.098 -14.959 1.502 1.00 0.00 N ATOM 0 H HIS A 94 -11.552 -12.893 -1.591 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.806 -10.246 -1.151 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.694 -11.205 0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.390 -11.937 -0.460 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -11.136 -12.989 1.586 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.622 -16.378 1.008 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.420 -15.551 1.982 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.273 -9.745 0.858 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.178 -9.314 1.718 1.00 0.00 C ATOM 1449 C LYS A 95 -9.890 -10.353 2.796 1.00 0.00 C ATOM 1450 O LYS A 95 -10.799 -11.025 3.282 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.511 -7.968 2.367 1.00 0.00 C ATOM 1452 CG LYS A 95 -10.996 -6.921 1.380 1.00 0.00 C ATOM 1453 CD LYS A 95 -11.962 -5.945 2.033 1.00 0.00 C ATOM 1454 CE LYS A 95 -12.282 -4.778 1.112 1.00 0.00 C ATOM 1455 NZ LYS A 95 -13.269 -3.845 1.722 1.00 0.00 N ATOM 0 H LYS A 95 -12.095 -9.142 0.888 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.287 -9.202 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.277 -8.120 3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.625 -7.591 2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.142 -6.375 0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.486 -7.412 0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.883 -6.465 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.530 -5.570 2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.365 -4.236 0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.675 -5.157 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.689 -3.250 0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.018 -4.391 2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.790 -3.241 2.420 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.620 -10.478 3.168 1.00 0.00 N ATOM 1470 CA ALA A 96 -8.214 -11.433 4.192 1.00 0.00 C ATOM 1471 C ALA A 96 -8.033 -10.747 5.542 1.00 0.00 C ATOM 1472 O ALA A 96 -8.619 -11.161 6.542 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.930 -12.136 3.778 1.00 0.00 C ATOM 0 H ALA A 96 -7.855 -9.930 2.775 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.005 -12.176 4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.638 -12.846 4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.092 -12.667 2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.138 -11.399 3.645 1.00 0.00 H new ATOM 1479 N ASP A 97 -7.219 -9.697 5.562 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.961 -8.953 6.789 1.00 0.00 C ATOM 1481 C ASP A 97 -7.290 -7.475 6.608 1.00 0.00 C ATOM 1482 O ASP A 97 -7.512 -7.011 5.489 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.500 -9.116 7.212 1.00 0.00 C ATOM 1484 CG ASP A 97 -5.280 -10.343 8.075 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -5.550 -10.268 9.292 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -4.837 -11.377 7.534 1.00 0.00 O ATOM 0 H ASP A 97 -6.727 -9.342 4.742 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.604 -9.356 7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.873 -9.184 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.182 -8.229 7.760 1.00 0.00 H new ATOM 1491 N SER A 98 -7.319 -6.740 7.715 1.00 0.00 N ATOM 1492 CA SER A 98 -7.625 -5.315 7.679 1.00 0.00 C ATOM 1493 C SER A 98 -7.107 -4.616 8.932 1.00 0.00 C ATOM 1494 O SER A 98 -7.424 -5.012 10.053 1.00 0.00 O ATOM 1495 CB SER A 98 -9.134 -5.099 7.548 1.00 0.00 C ATOM 1496 OG SER A 98 -9.786 -5.289 8.792 1.00 0.00 O ATOM 0 H SER A 98 -7.134 -7.108 8.648 1.00 0.00 H new ATOM 0 HA SER A 98 -7.126 -4.884 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.330 -4.091 7.181 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.541 -5.791 6.811 1.00 0.00 H new ATOM 0 HG SER A 98 -9.135 -5.588 9.460 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.307 -3.573 8.732 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.745 -2.818 9.844 1.00 0.00 C ATOM 1504 C ILE A 99 -6.401 -1.447 9.965 1.00 0.00 C ATOM 1505 O ILE A 99 -7.028 -0.963 9.023 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.224 -2.635 9.689 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.616 -2.106 10.989 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.919 -1.692 8.534 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.126 -2.342 11.100 1.00 0.00 C ATOM 0 H ILE A 99 -6.034 -3.232 7.810 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.943 -3.394 10.748 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.777 -3.605 9.469 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.813 -1.036 11.064 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.115 -2.581 11.834 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.840 -1.573 8.437 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.323 -2.106 7.610 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.376 -0.721 8.727 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.764 -1.941 12.047 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.923 -3.412 11.058 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.616 -1.843 10.276 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.250 -0.825 11.130 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.828 0.491 11.373 1.00 0.00 C ATOM 1523 C GLN A 100 -5.746 1.501 11.741 1.00 0.00 C ATOM 1524 O GLN A 100 -5.095 1.378 12.779 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.872 0.416 12.488 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.233 -0.071 12.016 1.00 0.00 C ATOM 1527 CD GLN A 100 -10.045 -0.704 13.128 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -9.585 -0.809 14.266 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -11.260 -1.130 12.806 1.00 0.00 N ATOM 0 H GLN A 100 -5.733 -1.211 11.920 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.312 0.822 10.454 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.508 -0.250 13.270 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.984 1.403 12.936 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.789 0.768 11.597 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.097 -0.796 11.213 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.601 -1.023 11.851 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.852 -1.564 13.514 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.557 2.499 10.884 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.552 3.515 11.137 1.00 0.00 C ATOM 1540 C GLY A 101 -5.149 4.904 11.256 1.00 0.00 C ATOM 1541 O GLY A 101 -5.764 5.407 10.315 1.00 0.00 O ATOM 0 H GLY A 101 -6.082 2.622 10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.018 3.273 12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.819 3.506 10.330 1.00 0.00 H new ATOM 1545 N THR A 102 -4.969 5.526 12.417 1.00 0.00 N ATOM 1546 CA THR A 102 -5.496 6.863 12.657 1.00 0.00 C ATOM 1547 C THR A 102 -4.415 7.922 12.470 1.00 0.00 C ATOM 1548 O THR A 102 -3.243 7.684 12.758 1.00 0.00 O ATOM 1549 CB THR A 102 -6.082 6.990 14.076 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.225 6.336 15.020 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.475 6.382 14.143 1.00 0.00 C ATOM 0 H THR A 102 -4.462 5.125 13.206 1.00 0.00 H new ATOM 0 HA THR A 102 -6.290 7.025 11.928 1.00 0.00 H new ATOM 0 HB THR A 102 -6.153 8.049 14.322 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.603 6.423 15.920 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.868 6.484 15.155 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.132 6.900 13.445 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.424 5.326 13.878 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.818 9.092 11.985 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.884 10.189 11.762 1.00 0.00 C ATOM 1561 C ALA A 103 -4.611 11.528 11.715 1.00 0.00 C ATOM 1562 O ALA A 103 -5.737 11.617 11.226 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.104 9.964 10.475 1.00 0.00 C ATOM 0 H ALA A 103 -5.785 9.304 11.739 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.185 10.214 12.598 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.410 10.791 10.321 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.546 9.030 10.546 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.796 9.910 9.635 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.960 12.568 12.226 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.546 13.903 12.243 1.00 0.00 C ATOM 1571 C ARG A 104 -3.740 14.862 11.372 1.00 0.00 C ATOM 1572 O ARG A 104 -2.554 15.089 11.611 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.614 14.435 13.676 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.405 15.725 13.810 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.625 16.095 15.269 1.00 0.00 C ATOM 1576 NE ARG A 104 -6.677 17.095 15.427 1.00 0.00 N ATOM 1577 CZ ARG A 104 -7.054 17.586 16.603 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -6.467 17.171 17.717 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -8.020 18.493 16.666 1.00 0.00 N ATOM 0 H ARG A 104 -3.027 12.512 12.634 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.556 13.834 11.839 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -5.063 13.675 14.316 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.601 14.601 14.041 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.875 16.532 13.305 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.368 15.616 13.312 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -5.887 15.201 15.834 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -4.695 16.477 15.690 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.148 17.435 14.589 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -5.724 16.473 17.673 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.758 17.549 18.618 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.474 18.814 15.811 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.308 18.869 17.569 1.00 0.00 H new ATOM 1593 N THR A 105 -4.393 15.422 10.358 1.00 0.00 N ATOM 1594 CA THR A 105 -3.738 16.355 9.449 1.00 0.00 C ATOM 1595 C THR A 105 -3.261 17.600 10.189 1.00 0.00 C ATOM 1596 O THR A 105 -3.488 17.745 11.391 1.00 0.00 O ATOM 1597 CB THR A 105 -4.679 16.779 8.306 1.00 0.00 C ATOM 1598 OG1 THR A 105 -5.959 17.141 8.834 1.00 0.00 O ATOM 1599 CG2 THR A 105 -4.841 15.656 7.293 1.00 0.00 C ATOM 0 H THR A 105 -5.375 15.246 10.146 1.00 0.00 H new ATOM 0 HA THR A 105 -2.878 15.835 9.027 1.00 0.00 H new ATOM 0 HB THR A 105 -4.238 17.639 7.803 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.494 17.567 8.132 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.510 15.979 6.495 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.868 15.404 6.871 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.261 14.779 7.786 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.601 18.496 9.464 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.093 19.731 10.051 1.00 0.00 C ATOM 1609 C LEU A 106 -3.028 20.899 9.758 1.00 0.00 C ATOM 1610 O LEU A 106 -3.795 20.867 8.795 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.693 20.036 9.514 1.00 0.00 C ATOM 1612 CG LEU A 106 0.388 19.003 9.833 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.642 19.274 9.017 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.707 19.007 11.321 1.00 0.00 C ATOM 0 H LEU A 106 -2.405 18.391 8.469 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.040 19.595 11.131 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.756 20.143 8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.375 21.000 9.912 1.00 0.00 H new ATOM 0 HG LEU A 106 0.011 18.016 9.565 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.400 18.529 9.257 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.404 19.220 7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.022 20.268 9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.478 18.266 11.530 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.064 19.994 11.614 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.192 18.764 11.887 1.00 0.00 H new ATOM 1626 N SER A 107 -2.959 21.930 10.594 1.00 0.00 N ATOM 1627 CA SER A 107 -3.801 23.109 10.425 1.00 0.00 C ATOM 1628 C SER A 107 -3.197 24.066 9.402 1.00 0.00 C ATOM 1629 O SER A 107 -3.916 24.724 8.651 1.00 0.00 O ATOM 1630 CB SER A 107 -3.986 23.826 11.764 1.00 0.00 C ATOM 1631 OG SER A 107 -5.161 24.617 11.761 1.00 0.00 O ATOM 0 H SER A 107 -2.329 21.973 11.395 1.00 0.00 H new ATOM 0 HA SER A 107 -4.774 22.781 10.059 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.040 23.092 12.568 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.120 24.457 11.965 1.00 0.00 H new ATOM 0 HG SER A 107 -5.257 25.063 12.628 1.00 0.00 H new