USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 483 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.59) USER MOD Single : A 13 THR OG1 : rot -150:sc= -2.23! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.00356) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -149:sc=-0.000125 (180deg=-0.964) USER MOD Single : A 32 SER OG : rot -3:sc= 0.159! USER MOD Single : A 33 ASN : amide:sc= -1.18 K(o=-1.2,f=-3.3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.316 USER MOD Single : A 38 GLN : amide:sc= -0.0804 X(o=-0.08,f=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -147:sc= -3.5! (180deg=-6.12!) USER MOD Single : A 45 ASN : amide:sc=-0.000458 K(o=-0.00046,f=-1.8!) USER MOD Single : A 49 TYR OH : rot -39:sc= -3.12! USER MOD Single : A 50 SER OG : rot 180:sc=-0.000576 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0722 USER MOD Single : A 58 LYS NZ :NH3+ -104:sc= 0.83 (180deg=-1.33) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -9! C(o=-9!,f=-13!) USER MOD Single : A 65 TYR OH : rot -156:sc= 0.699 USER MOD Single : A 66 LYS NZ :NH3+ -148:sc= 1.05 (180deg=-0.0506) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.350 0.306 -1.406 1.00 0.00 N ATOM 138 CA TRP A 11 12.888 1.691 -1.708 1.00 0.00 C ATOM 139 C TRP A 11 13.891 2.718 -1.174 1.00 0.00 C ATOM 140 O TRP A 11 14.362 2.619 -0.058 1.00 0.00 O ATOM 141 CB TRP A 11 11.548 1.817 -0.984 1.00 0.00 C ATOM 142 CG TRP A 11 10.473 1.164 -1.794 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.765 1.774 -2.770 1.00 0.00 C ATOM 144 CD2 TRP A 11 9.970 -0.206 -1.719 1.00 0.00 C ATOM 145 NE1 TRP A 11 8.853 0.875 -3.291 1.00 0.00 N ATOM 146 CE2 TRP A 11 8.942 -0.359 -2.680 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.297 -1.317 -0.921 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.265 -1.568 -2.844 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.616 -2.538 -1.086 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.602 -2.659 -2.044 1.00 0.00 C ATOM 0 HA TRP A 11 12.796 1.875 -2.778 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.610 1.350 -0.001 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.308 2.868 -0.824 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.891 2.797 -3.091 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.194 1.097 -4.037 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.075 -1.233 -0.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.485 -1.658 -3.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.877 -3.386 -0.470 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.081 -3.597 -2.163 1.00 0.00 H new ATOM 161 N ASN A 12 14.220 3.706 -1.963 1.00 0.00 N ATOM 162 CA ASN A 12 15.190 4.741 -1.500 1.00 0.00 C ATOM 163 C ASN A 12 14.488 6.092 -1.341 1.00 0.00 C ATOM 164 O ASN A 12 14.990 6.991 -0.697 1.00 0.00 O ATOM 165 CB ASN A 12 16.246 4.815 -2.604 1.00 0.00 C ATOM 166 CG ASN A 12 17.616 5.102 -1.983 1.00 0.00 C ATOM 167 OD1 ASN A 12 17.984 4.502 -0.992 1.00 0.00 O ATOM 168 ND2 ASN A 12 18.392 5.997 -2.529 1.00 0.00 N ATOM 0 H ASN A 12 13.859 3.841 -2.907 1.00 0.00 H new ATOM 0 HA ASN A 12 15.626 4.494 -0.532 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.275 3.876 -3.157 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.987 5.597 -3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 12 19.308 6.193 -2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 12 18.083 6.501 -3.361 1.00 0.00 H new ATOM 175 N THR A 13 13.332 6.242 -1.928 1.00 0.00 N ATOM 176 CA THR A 13 12.600 7.536 -1.814 1.00 0.00 C ATOM 177 C THR A 13 11.225 7.315 -1.180 1.00 0.00 C ATOM 178 O THR A 13 10.609 6.282 -1.354 1.00 0.00 O ATOM 179 CB THR A 13 12.453 8.033 -3.253 1.00 0.00 C ATOM 180 OG1 THR A 13 12.222 6.927 -4.113 1.00 0.00 O ATOM 181 CG2 THR A 13 13.732 8.758 -3.679 1.00 0.00 C ATOM 0 H THR A 13 12.863 5.525 -2.481 1.00 0.00 H new ATOM 0 HA THR A 13 13.126 8.254 -1.184 1.00 0.00 H new ATOM 0 HB THR A 13 11.611 8.723 -3.315 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.587 7.122 -5.001 1.00 0.00 H new ATOM 0 HG21 THR A 13 13.625 9.111 -4.705 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.906 9.608 -3.019 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.577 8.072 -3.618 1.00 0.00 H new ATOM 189 N LYS A 14 10.737 8.278 -0.448 1.00 0.00 N ATOM 190 CA LYS A 14 9.400 8.121 0.193 1.00 0.00 C ATOM 191 C LYS A 14 8.312 8.031 -0.879 1.00 0.00 C ATOM 192 O LYS A 14 7.373 7.270 -0.761 1.00 0.00 O ATOM 193 CB LYS A 14 9.215 9.376 1.046 1.00 0.00 C ATOM 194 CG LYS A 14 8.926 8.968 2.491 1.00 0.00 C ATOM 195 CD LYS A 14 7.475 9.304 2.840 1.00 0.00 C ATOM 196 CE LYS A 14 7.294 9.252 4.358 1.00 0.00 C ATOM 197 NZ LYS A 14 5.948 9.839 4.608 1.00 0.00 N ATOM 0 H LYS A 14 11.205 9.166 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 14 9.332 7.213 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.112 9.994 1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.394 9.978 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.104 7.900 2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.603 9.488 3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.219 10.295 2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.800 8.597 2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.352 8.228 4.727 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.073 9.820 4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.753 9.837 5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.924 10.816 4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.226 9.274 4.117 1.00 0.00 H new ATOM 211 N GLU A 15 8.434 8.797 -1.930 1.00 0.00 N ATOM 212 CA GLU A 15 7.408 8.744 -3.010 1.00 0.00 C ATOM 213 C GLU A 15 7.368 7.342 -3.615 1.00 0.00 C ATOM 214 O GLU A 15 6.316 6.765 -3.804 1.00 0.00 O ATOM 215 CB GLU A 15 7.867 9.767 -4.049 1.00 0.00 C ATOM 216 CG GLU A 15 7.096 9.551 -5.353 1.00 0.00 C ATOM 217 CD GLU A 15 6.823 10.902 -6.015 1.00 0.00 C ATOM 218 OE1 GLU A 15 5.974 11.623 -5.516 1.00 0.00 O ATOM 219 OE2 GLU A 15 7.465 11.194 -7.010 1.00 0.00 O ATOM 0 H GLU A 15 9.197 9.455 -2.087 1.00 0.00 H new ATOM 0 HA GLU A 15 6.406 8.966 -2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.699 10.778 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.938 9.666 -4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.670 8.914 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.156 9.037 -5.151 1.00 0.00 H new ATOM 226 N GLU A 16 8.509 6.788 -3.909 1.00 0.00 N ATOM 227 CA GLU A 16 8.545 5.417 -4.492 1.00 0.00 C ATOM 228 C GLU A 16 7.956 4.422 -3.495 1.00 0.00 C ATOM 229 O GLU A 16 7.176 3.559 -3.846 1.00 0.00 O ATOM 230 CB GLU A 16 10.026 5.123 -4.738 1.00 0.00 C ATOM 231 CG GLU A 16 10.470 5.796 -6.038 1.00 0.00 C ATOM 232 CD GLU A 16 9.591 5.308 -7.190 1.00 0.00 C ATOM 233 OE1 GLU A 16 9.607 4.118 -7.458 1.00 0.00 O ATOM 234 OE2 GLU A 16 8.917 6.132 -7.785 1.00 0.00 O ATOM 0 H GLU A 16 9.420 7.225 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 16 7.964 5.338 -5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.624 5.489 -3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.189 4.047 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.396 6.879 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.516 5.565 -6.241 1.00 0.00 H new ATOM 241 N ALA A 17 8.318 4.544 -2.250 1.00 0.00 N ATOM 242 CA ALA A 17 7.771 3.614 -1.224 1.00 0.00 C ATOM 243 C ALA A 17 6.247 3.723 -1.201 1.00 0.00 C ATOM 244 O ALA A 17 5.539 2.733 -1.229 1.00 0.00 O ATOM 245 CB ALA A 17 8.371 4.088 0.100 1.00 0.00 C ATOM 0 H ALA A 17 8.968 5.247 -1.898 1.00 0.00 H new ATOM 0 HA ALA A 17 8.017 2.571 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.015 3.451 0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.458 4.034 0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.068 5.118 0.289 1.00 0.00 H new ATOM 251 N LYS A 18 5.735 4.923 -1.176 1.00 0.00 N ATOM 252 CA LYS A 18 4.257 5.095 -1.179 1.00 0.00 C ATOM 253 C LYS A 18 3.716 4.628 -2.525 1.00 0.00 C ATOM 254 O LYS A 18 2.623 4.106 -2.628 1.00 0.00 O ATOM 255 CB LYS A 18 4.029 6.594 -0.995 1.00 0.00 C ATOM 256 CG LYS A 18 2.717 6.824 -0.242 1.00 0.00 C ATOM 257 CD LYS A 18 2.678 8.258 0.292 1.00 0.00 C ATOM 258 CE LYS A 18 1.527 9.017 -0.372 1.00 0.00 C ATOM 259 NZ LYS A 18 1.960 10.441 -0.379 1.00 0.00 N ATOM 0 H LYS A 18 6.275 5.788 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 18 3.756 4.522 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.859 7.033 -0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.995 7.089 -1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.870 6.649 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.629 6.116 0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.547 8.251 1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.624 8.759 0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.346 8.654 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.598 8.890 0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.222 11.026 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.118 10.761 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.843 10.533 -0.920 1.00 0.00 H new ATOM 273 N GLN A 19 4.491 4.800 -3.560 1.00 0.00 N ATOM 274 CA GLN A 19 4.048 4.354 -4.908 1.00 0.00 C ATOM 275 C GLN A 19 3.895 2.834 -4.910 1.00 0.00 C ATOM 276 O GLN A 19 2.913 2.300 -5.381 1.00 0.00 O ATOM 277 CB GLN A 19 5.165 4.785 -5.858 1.00 0.00 C ATOM 278 CG GLN A 19 4.729 4.541 -7.303 1.00 0.00 C ATOM 279 CD GLN A 19 3.970 5.764 -7.819 1.00 0.00 C ATOM 280 OE1 GLN A 19 4.561 6.681 -8.353 1.00 0.00 O ATOM 281 NE2 GLN A 19 2.674 5.817 -7.681 1.00 0.00 N ATOM 0 H GLN A 19 5.415 5.232 -3.529 1.00 0.00 H new ATOM 0 HA GLN A 19 3.089 4.781 -5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.396 5.840 -5.710 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.076 4.226 -5.643 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.600 4.349 -7.930 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.095 3.656 -7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.177 5.047 -7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.158 6.628 -8.021 1.00 0.00 H new ATOM 290 N ALA A 20 4.852 2.132 -4.364 1.00 0.00 N ATOM 291 CA ALA A 20 4.742 0.649 -4.318 1.00 0.00 C ATOM 292 C ALA A 20 3.538 0.275 -3.457 1.00 0.00 C ATOM 293 O ALA A 20 2.826 -0.669 -3.735 1.00 0.00 O ATOM 294 CB ALA A 20 6.044 0.165 -3.680 1.00 0.00 C ATOM 0 H ALA A 20 5.700 2.520 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 20 4.600 0.199 -5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.034 -0.923 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.889 0.483 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.139 0.589 -2.680 1.00 0.00 H new ATOM 300 N PHE A 21 3.297 1.028 -2.418 1.00 0.00 N ATOM 301 CA PHE A 21 2.128 0.737 -1.543 1.00 0.00 C ATOM 302 C PHE A 21 0.836 1.020 -2.313 1.00 0.00 C ATOM 303 O PHE A 21 -0.099 0.242 -2.288 1.00 0.00 O ATOM 304 CB PHE A 21 2.271 1.692 -0.357 1.00 0.00 C ATOM 305 CG PHE A 21 1.389 1.227 0.779 1.00 0.00 C ATOM 306 CD1 PHE A 21 0.027 1.553 0.786 1.00 0.00 C ATOM 307 CD2 PHE A 21 1.933 0.471 1.827 1.00 0.00 C ATOM 308 CE1 PHE A 21 -0.790 1.126 1.838 1.00 0.00 C ATOM 309 CE2 PHE A 21 1.114 0.043 2.879 1.00 0.00 C ATOM 310 CZ PHE A 21 -0.249 0.371 2.884 1.00 0.00 C ATOM 0 H PHE A 21 3.860 1.832 -2.138 1.00 0.00 H new ATOM 0 HA PHE A 21 2.092 -0.302 -1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.311 1.730 -0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.993 2.703 -0.656 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.393 2.135 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.983 0.219 1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.840 1.380 1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.532 -0.540 3.686 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.881 0.041 3.695 1.00 0.00 H new ATOM 320 N LYS A 22 0.779 2.126 -3.009 1.00 0.00 N ATOM 321 CA LYS A 22 -0.447 2.450 -3.791 1.00 0.00 C ATOM 322 C LYS A 22 -0.620 1.431 -4.918 1.00 0.00 C ATOM 323 O LYS A 22 -1.681 0.868 -5.104 1.00 0.00 O ATOM 324 CB LYS A 22 -0.200 3.846 -4.362 1.00 0.00 C ATOM 325 CG LYS A 22 -0.722 4.899 -3.382 1.00 0.00 C ATOM 326 CD LYS A 22 -0.185 6.276 -3.777 1.00 0.00 C ATOM 327 CE LYS A 22 -1.337 7.284 -3.807 1.00 0.00 C ATOM 328 NZ LYS A 22 -2.020 7.045 -5.109 1.00 0.00 N ATOM 0 H LYS A 22 1.528 2.816 -3.068 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.351 2.419 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.865 3.995 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.700 3.950 -5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.812 4.907 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.410 4.653 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.576 6.599 -3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.293 6.225 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.018 7.131 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.969 8.307 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.098 7.942 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.469 6.365 -5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.971 6.661 -4.937 1.00 0.00 H new ATOM 342 N GLU A 23 0.425 1.172 -5.659 1.00 0.00 N ATOM 343 CA GLU A 23 0.320 0.170 -6.755 1.00 0.00 C ATOM 344 C GLU A 23 0.037 -1.198 -6.142 1.00 0.00 C ATOM 345 O GLU A 23 -0.649 -2.022 -6.712 1.00 0.00 O ATOM 346 CB GLU A 23 1.677 0.186 -7.457 1.00 0.00 C ATOM 347 CG GLU A 23 1.467 -0.085 -8.945 1.00 0.00 C ATOM 348 CD GLU A 23 2.786 -0.530 -9.579 1.00 0.00 C ATOM 349 OE1 GLU A 23 3.824 -0.240 -9.007 1.00 0.00 O ATOM 350 OE2 GLU A 23 2.736 -1.154 -10.626 1.00 0.00 O ATOM 0 H GLU A 23 1.341 1.609 -5.552 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.482 0.391 -7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.164 1.151 -7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.334 -0.569 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.709 -0.856 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.099 0.814 -9.440 1.00 0.00 H new ATOM 357 N LEU A 24 0.548 -1.430 -4.963 1.00 0.00 N ATOM 358 CA LEU A 24 0.297 -2.728 -4.284 1.00 0.00 C ATOM 359 C LEU A 24 -1.212 -2.881 -4.070 1.00 0.00 C ATOM 360 O LEU A 24 -1.787 -3.913 -4.355 1.00 0.00 O ATOM 361 CB LEU A 24 1.044 -2.608 -2.953 1.00 0.00 C ATOM 362 CG LEU A 24 0.673 -3.766 -2.028 1.00 0.00 C ATOM 363 CD1 LEU A 24 0.966 -5.090 -2.730 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.506 -3.671 -0.742 1.00 0.00 C ATOM 0 H LEU A 24 1.129 -0.774 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 24 0.632 -3.598 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.119 -2.607 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.799 -1.660 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.387 -3.715 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.702 -5.917 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.379 -5.154 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.027 -5.145 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.245 -4.495 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.566 -3.726 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.299 -2.724 -0.244 1.00 0.00 H new ATOM 376 N LEU A 25 -1.864 -1.848 -3.607 1.00 0.00 N ATOM 377 CA LEU A 25 -3.342 -1.929 -3.418 1.00 0.00 C ATOM 378 C LEU A 25 -4.017 -2.120 -4.778 1.00 0.00 C ATOM 379 O LEU A 25 -4.981 -2.849 -4.910 1.00 0.00 O ATOM 380 CB LEU A 25 -3.749 -0.588 -2.808 1.00 0.00 C ATOM 381 CG LEU A 25 -3.737 -0.686 -1.284 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.839 0.406 -0.704 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.161 -0.495 -0.762 1.00 0.00 C ATOM 0 H LEU A 25 -1.440 -0.956 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.635 -2.763 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.064 0.194 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.743 -0.307 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.357 -1.663 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.833 0.333 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.824 0.281 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.218 1.384 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.162 -0.563 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.531 0.485 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.807 -1.270 -1.175 1.00 0.00 H new ATOM 395 N LYS A 26 -3.509 -1.468 -5.792 1.00 0.00 N ATOM 396 CA LYS A 26 -4.107 -1.610 -7.149 1.00 0.00 C ATOM 397 C LYS A 26 -3.989 -3.062 -7.612 1.00 0.00 C ATOM 398 O LYS A 26 -4.925 -3.639 -8.129 1.00 0.00 O ATOM 399 CB LYS A 26 -3.280 -0.691 -8.048 1.00 0.00 C ATOM 400 CG LYS A 26 -4.139 -0.218 -9.222 1.00 0.00 C ATOM 401 CD LYS A 26 -3.545 1.066 -9.805 1.00 0.00 C ATOM 402 CE LYS A 26 -2.331 0.721 -10.672 1.00 0.00 C ATOM 403 NZ LYS A 26 -1.318 1.763 -10.345 1.00 0.00 N ATOM 0 H LYS A 26 -2.705 -0.843 -5.737 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.165 -1.347 -7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.921 0.166 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.401 -1.220 -8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.183 -0.991 -9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.162 -0.040 -8.889 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.294 1.588 -10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.251 1.741 -9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.957 -0.278 -10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.585 0.736 -11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.455 1.595 -10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.700 2.703 -10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.091 1.720 -9.331 1.00 0.00 H new ATOM 417 N GLU A 27 -2.846 -3.663 -7.418 1.00 0.00 N ATOM 418 CA GLU A 27 -2.675 -5.081 -7.834 1.00 0.00 C ATOM 419 C GLU A 27 -3.532 -5.972 -6.934 1.00 0.00 C ATOM 420 O GLU A 27 -3.972 -7.035 -7.326 1.00 0.00 O ATOM 421 CB GLU A 27 -1.189 -5.378 -7.640 1.00 0.00 C ATOM 422 CG GLU A 27 -0.516 -5.518 -9.007 1.00 0.00 C ATOM 423 CD GLU A 27 -0.592 -6.976 -9.465 1.00 0.00 C ATOM 424 OE1 GLU A 27 -1.642 -7.575 -9.301 1.00 0.00 O ATOM 425 OE2 GLU A 27 0.402 -7.468 -9.973 1.00 0.00 O ATOM 0 H GLU A 27 -2.026 -3.233 -6.990 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.983 -5.263 -8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.718 -4.577 -7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.062 -6.295 -7.064 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.007 -4.871 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.524 -5.198 -8.947 1.00 0.00 H new ATOM 432 N LYS A 28 -3.784 -5.530 -5.731 1.00 0.00 N ATOM 433 CA LYS A 28 -4.627 -6.328 -4.799 1.00 0.00 C ATOM 434 C LYS A 28 -6.104 -6.025 -5.066 1.00 0.00 C ATOM 435 O LYS A 28 -6.978 -6.437 -4.329 1.00 0.00 O ATOM 436 CB LYS A 28 -4.224 -5.857 -3.401 1.00 0.00 C ATOM 437 CG LYS A 28 -3.080 -6.725 -2.873 1.00 0.00 C ATOM 438 CD LYS A 28 -1.775 -6.341 -3.573 1.00 0.00 C ATOM 439 CE LYS A 28 -0.832 -7.546 -3.601 1.00 0.00 C ATOM 440 NZ LYS A 28 -0.960 -8.104 -4.977 1.00 0.00 N ATOM 0 H LYS A 28 -3.440 -4.647 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.488 -7.403 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.915 -4.812 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.079 -5.916 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.978 -6.593 -1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.300 -7.778 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.981 -6.004 -4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.302 -5.509 -3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.195 -7.248 -3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.111 -8.283 -2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.811 -9.133 -4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.911 -7.902 -5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.248 -7.667 -5.596 1.00 0.00 H new ATOM 454 N ARG A 29 -6.383 -5.307 -6.121 1.00 0.00 N ATOM 455 CA ARG A 29 -7.795 -4.970 -6.451 1.00 0.00 C ATOM 456 C ARG A 29 -8.544 -4.490 -5.205 1.00 0.00 C ATOM 457 O ARG A 29 -9.718 -4.754 -5.040 1.00 0.00 O ATOM 458 CB ARG A 29 -8.400 -6.272 -6.973 1.00 0.00 C ATOM 459 CG ARG A 29 -7.839 -6.574 -8.364 1.00 0.00 C ATOM 460 CD ARG A 29 -8.831 -6.102 -9.430 1.00 0.00 C ATOM 461 NE ARG A 29 -8.082 -6.187 -10.715 1.00 0.00 N ATOM 462 CZ ARG A 29 -8.249 -7.212 -11.502 1.00 0.00 C ATOM 463 NH1 ARG A 29 -8.905 -7.076 -12.622 1.00 0.00 N ATOM 464 NH2 ARG A 29 -7.760 -8.376 -11.171 1.00 0.00 N ATOM 0 H ARG A 29 -5.689 -4.938 -6.771 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.862 -4.164 -7.182 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.171 -7.091 -6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.486 -6.189 -7.017 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.880 -6.073 -8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.657 -7.644 -8.470 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.720 -6.732 -9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.166 -5.083 -9.235 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.438 -5.442 -10.979 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.287 -6.167 -12.882 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.035 -7.879 -13.237 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.247 -8.484 -10.296 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.891 -9.178 -11.787 1.00 0.00 H new ATOM 478 N VAL A 30 -7.882 -3.782 -4.330 1.00 0.00 N ATOM 479 CA VAL A 30 -8.579 -3.286 -3.108 1.00 0.00 C ATOM 480 C VAL A 30 -9.694 -2.318 -3.510 1.00 0.00 C ATOM 481 O VAL A 30 -9.477 -1.412 -4.286 1.00 0.00 O ATOM 482 CB VAL A 30 -7.507 -2.558 -2.295 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.137 -1.983 -1.025 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.399 -3.541 -1.913 1.00 0.00 C ATOM 0 H VAL A 30 -6.897 -3.527 -4.407 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.036 -4.093 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.084 -1.750 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.375 -1.464 -0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.927 -1.282 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.559 -2.793 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.636 -3.022 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.820 -4.350 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.951 -3.953 -2.817 1.00 0.00 H new ATOM 494 N PRO A 31 -10.859 -2.544 -2.970 1.00 0.00 N ATOM 495 CA PRO A 31 -12.015 -1.676 -3.288 1.00 0.00 C ATOM 496 C PRO A 31 -11.856 -0.318 -2.605 1.00 0.00 C ATOM 497 O PRO A 31 -11.062 -0.157 -1.698 1.00 0.00 O ATOM 498 CB PRO A 31 -13.205 -2.437 -2.714 1.00 0.00 C ATOM 499 CG PRO A 31 -12.628 -3.287 -1.629 1.00 0.00 C ATOM 500 CD PRO A 31 -11.209 -3.609 -2.026 1.00 0.00 C ATOM 0 HA PRO A 31 -12.122 -1.474 -4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.959 -1.754 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.691 -3.045 -3.477 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.651 -2.761 -0.674 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.210 -4.200 -1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.543 -3.613 -1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.137 -4.593 -2.489 1.00 0.00 H new ATOM 508 N SER A 32 -12.604 0.661 -3.030 1.00 0.00 N ATOM 509 CA SER A 32 -12.494 2.008 -2.402 1.00 0.00 C ATOM 510 C SER A 32 -13.134 1.996 -1.012 1.00 0.00 C ATOM 511 O SER A 32 -13.042 2.953 -0.268 1.00 0.00 O ATOM 512 CB SER A 32 -13.251 2.950 -3.337 1.00 0.00 C ATOM 513 OG SER A 32 -13.672 4.095 -2.608 1.00 0.00 O ATOM 0 H SER A 32 -13.287 0.588 -3.784 1.00 0.00 H new ATOM 0 HA SER A 32 -11.457 2.318 -2.271 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.611 3.248 -4.168 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.114 2.440 -3.766 1.00 0.00 H new ATOM 0 HG SER A 32 -13.427 3.991 -1.665 1.00 0.00 H new ATOM 519 N ASN A 33 -13.791 0.926 -0.655 1.00 0.00 N ATOM 520 CA ASN A 33 -14.439 0.864 0.686 1.00 0.00 C ATOM 521 C ASN A 33 -13.818 -0.251 1.532 1.00 0.00 C ATOM 522 O ASN A 33 -14.412 -0.725 2.481 1.00 0.00 O ATOM 523 CB ASN A 33 -15.909 0.559 0.399 1.00 0.00 C ATOM 524 CG ASN A 33 -16.010 -0.726 -0.424 1.00 0.00 C ATOM 525 OD1 ASN A 33 -15.500 -1.756 -0.029 1.00 0.00 O ATOM 526 ND2 ASN A 33 -16.651 -0.709 -1.560 1.00 0.00 N ATOM 0 H ASN A 33 -13.907 0.093 -1.233 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.312 1.791 1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.458 0.449 1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.365 1.388 -0.143 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.724 -1.560 -2.117 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.079 0.156 -1.891 1.00 0.00 H new ATOM 533 N ALA A 34 -12.629 -0.675 1.202 1.00 0.00 N ATOM 534 CA ALA A 34 -11.985 -1.759 2.000 1.00 0.00 C ATOM 535 C ALA A 34 -11.533 -1.219 3.355 1.00 0.00 C ATOM 536 O ALA A 34 -11.151 -0.073 3.482 1.00 0.00 O ATOM 537 CB ALA A 34 -10.766 -2.203 1.188 1.00 0.00 C ATOM 0 H ALA A 34 -12.078 -0.321 0.420 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.674 -2.583 2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.246 -3.000 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.091 -2.568 0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.092 -1.357 1.052 1.00 0.00 H new ATOM 543 N SER A 35 -11.553 -2.039 4.364 1.00 0.00 N ATOM 544 CA SER A 35 -11.097 -1.573 5.700 1.00 0.00 C ATOM 545 C SER A 35 -9.582 -1.737 5.782 1.00 0.00 C ATOM 546 O SER A 35 -9.015 -2.602 5.144 1.00 0.00 O ATOM 547 CB SER A 35 -11.789 -2.491 6.703 1.00 0.00 C ATOM 548 OG SER A 35 -11.160 -3.767 6.681 1.00 0.00 O ATOM 0 H SER A 35 -11.864 -3.009 4.323 1.00 0.00 H new ATOM 0 HA SER A 35 -11.335 -0.527 5.892 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.735 -2.063 7.704 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.846 -2.589 6.455 1.00 0.00 H new ATOM 0 HG SER A 35 -11.600 -4.360 7.325 1.00 0.00 H new ATOM 554 N TRP A 36 -8.912 -0.923 6.542 1.00 0.00 N ATOM 555 CA TRP A 36 -7.436 -1.071 6.619 1.00 0.00 C ATOM 556 C TRP A 36 -7.084 -2.535 6.881 1.00 0.00 C ATOM 557 O TRP A 36 -6.065 -3.021 6.448 1.00 0.00 O ATOM 558 CB TRP A 36 -6.979 -0.193 7.783 1.00 0.00 C ATOM 559 CG TRP A 36 -5.532 -0.464 8.045 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.984 -0.672 9.265 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.442 -0.571 7.083 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.627 -0.901 9.112 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.245 -0.849 7.785 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.376 -0.456 5.681 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -2.027 -1.008 7.119 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.152 -0.616 5.010 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.981 -0.891 5.729 1.00 0.00 C ATOM 0 H TRP A 36 -9.313 -0.173 7.105 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.947 -0.773 5.691 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.130 0.860 7.545 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.571 -0.406 8.673 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.518 -0.661 10.204 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.987 -1.086 9.885 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.273 -0.243 5.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.127 -1.220 7.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.113 -0.527 3.934 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.043 -1.012 5.208 1.00 0.00 H new ATOM 578 N GLU A 37 -7.924 -3.246 7.582 1.00 0.00 N ATOM 579 CA GLU A 37 -7.629 -4.681 7.858 1.00 0.00 C ATOM 580 C GLU A 37 -7.646 -5.492 6.556 1.00 0.00 C ATOM 581 O GLU A 37 -6.741 -6.253 6.276 1.00 0.00 O ATOM 582 CB GLU A 37 -8.749 -5.145 8.791 1.00 0.00 C ATOM 583 CG GLU A 37 -8.927 -4.130 9.922 1.00 0.00 C ATOM 584 CD GLU A 37 -9.572 -4.817 11.126 1.00 0.00 C ATOM 585 OE1 GLU A 37 -9.705 -6.028 11.091 1.00 0.00 O ATOM 586 OE2 GLU A 37 -9.921 -4.119 12.065 1.00 0.00 O ATOM 0 H GLU A 37 -8.799 -2.897 7.974 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.643 -4.818 8.302 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.680 -5.251 8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.510 -6.126 9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.961 -3.710 10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.550 -3.301 9.586 1.00 0.00 H new ATOM 593 N GLN A 38 -8.671 -5.334 5.759 1.00 0.00 N ATOM 594 CA GLN A 38 -8.742 -6.099 4.480 1.00 0.00 C ATOM 595 C GLN A 38 -7.722 -5.556 3.478 1.00 0.00 C ATOM 596 O GLN A 38 -7.000 -6.301 2.841 1.00 0.00 O ATOM 597 CB GLN A 38 -10.167 -5.879 3.969 1.00 0.00 C ATOM 598 CG GLN A 38 -11.110 -6.885 4.632 1.00 0.00 C ATOM 599 CD GLN A 38 -11.766 -7.759 3.561 1.00 0.00 C ATOM 600 OE1 GLN A 38 -11.691 -8.970 3.620 1.00 0.00 O ATOM 601 NE2 GLN A 38 -12.410 -7.193 2.578 1.00 0.00 N ATOM 0 H GLN A 38 -9.458 -4.711 5.938 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.515 -7.156 4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.490 -4.862 4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.198 -5.995 2.886 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.557 -7.508 5.335 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.874 -6.359 5.205 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.473 -6.176 2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.850 -7.767 1.859 1.00 0.00 H new ATOM 610 N ALA A 39 -7.650 -4.262 3.339 1.00 0.00 N ATOM 611 CA ALA A 39 -6.677 -3.673 2.380 1.00 0.00 C ATOM 612 C ALA A 39 -5.246 -3.930 2.853 1.00 0.00 C ATOM 613 O ALA A 39 -4.370 -4.223 2.066 1.00 0.00 O ATOM 614 CB ALA A 39 -6.979 -2.175 2.375 1.00 0.00 C ATOM 0 H ALA A 39 -8.222 -3.588 3.848 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.765 -4.109 1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.300 -1.669 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.008 -2.012 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.845 -1.773 3.379 1.00 0.00 H new ATOM 620 N MET A 40 -4.997 -3.818 4.131 1.00 0.00 N ATOM 621 CA MET A 40 -3.614 -4.051 4.641 1.00 0.00 C ATOM 622 C MET A 40 -3.200 -5.507 4.440 1.00 0.00 C ATOM 623 O MET A 40 -2.133 -5.783 3.953 1.00 0.00 O ATOM 624 CB MET A 40 -3.665 -3.724 6.131 1.00 0.00 C ATOM 625 CG MET A 40 -2.296 -3.995 6.758 1.00 0.00 C ATOM 626 SD MET A 40 -2.363 -3.645 8.533 1.00 0.00 S ATOM 627 CE MET A 40 -2.416 -5.363 9.104 1.00 0.00 C ATOM 0 H MET A 40 -5.688 -3.576 4.841 1.00 0.00 H new ATOM 0 HA MET A 40 -2.887 -3.436 4.111 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.944 -2.680 6.276 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.428 -4.329 6.621 1.00 0.00 H new ATOM 0 HG2 MET A 40 -2.008 -5.033 6.592 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.537 -3.373 6.283 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.461 -5.383 10.193 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.298 -5.855 8.695 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.520 -5.886 8.768 1.00 0.00 H new ATOM 637 N LYS A 41 -4.027 -6.442 4.820 1.00 0.00 N ATOM 638 CA LYS A 41 -3.647 -7.875 4.648 1.00 0.00 C ATOM 639 C LYS A 41 -3.419 -8.194 3.164 1.00 0.00 C ATOM 640 O LYS A 41 -2.424 -8.795 2.787 1.00 0.00 O ATOM 641 CB LYS A 41 -4.843 -8.659 5.198 1.00 0.00 C ATOM 642 CG LYS A 41 -4.835 -10.084 4.640 1.00 0.00 C ATOM 643 CD LYS A 41 -5.857 -10.190 3.508 1.00 0.00 C ATOM 644 CE LYS A 41 -6.273 -11.652 3.332 1.00 0.00 C ATOM 645 NZ LYS A 41 -7.760 -11.623 3.255 1.00 0.00 N ATOM 0 H LYS A 41 -4.943 -6.279 5.239 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.720 -8.127 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.801 -8.686 6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.772 -8.158 4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.841 -10.337 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.074 -10.797 5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.730 -9.577 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.430 -9.808 2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.839 -12.080 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.933 -12.263 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.120 -12.591 3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.145 -11.217 4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.054 -11.040 2.445 1.00 0.00 H new ATOM 659 N MET A 42 -4.331 -7.794 2.317 1.00 0.00 N ATOM 660 CA MET A 42 -4.170 -8.075 0.862 1.00 0.00 C ATOM 661 C MET A 42 -2.860 -7.481 0.344 1.00 0.00 C ATOM 662 O MET A 42 -2.222 -8.029 -0.534 1.00 0.00 O ATOM 663 CB MET A 42 -5.361 -7.388 0.192 1.00 0.00 C ATOM 664 CG MET A 42 -6.661 -8.063 0.633 1.00 0.00 C ATOM 665 SD MET A 42 -7.430 -8.878 -0.788 1.00 0.00 S ATOM 666 CE MET A 42 -7.500 -7.430 -1.873 1.00 0.00 C ATOM 0 H MET A 42 -5.178 -7.286 2.570 1.00 0.00 H new ATOM 0 HA MET A 42 -4.139 -9.145 0.654 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.380 -6.331 0.458 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.262 -7.442 -0.892 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.457 -8.792 1.417 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.342 -7.324 1.054 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.386 -7.492 -2.506 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.548 -6.524 -1.268 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.608 -7.401 -2.499 1.00 0.00 H new ATOM 676 N ILE A 43 -2.462 -6.354 0.865 1.00 0.00 N ATOM 677 CA ILE A 43 -1.206 -5.713 0.383 1.00 0.00 C ATOM 678 C ILE A 43 0.006 -6.189 1.199 1.00 0.00 C ATOM 679 O ILE A 43 1.121 -6.197 0.717 1.00 0.00 O ATOM 680 CB ILE A 43 -1.442 -4.207 0.566 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.393 -3.841 2.048 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.811 -3.820 0.008 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.076 -2.348 2.179 1.00 0.00 C ATOM 0 H ILE A 43 -2.952 -5.849 1.604 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.985 -5.969 -0.653 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.660 -3.669 0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.347 -4.067 2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.634 -4.434 2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.969 -2.750 0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.853 -4.063 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.589 -4.371 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.039 -2.075 3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.112 -2.139 1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.852 -1.766 1.681 1.00 0.00 H new ATOM 695 N ILE A 44 -0.198 -6.592 2.424 1.00 0.00 N ATOM 696 CA ILE A 44 0.954 -7.061 3.247 1.00 0.00 C ATOM 697 C ILE A 44 1.521 -8.341 2.639 1.00 0.00 C ATOM 698 O ILE A 44 2.718 -8.531 2.571 1.00 0.00 O ATOM 699 CB ILE A 44 0.389 -7.304 4.657 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.479 -7.022 5.691 1.00 0.00 C ATOM 701 CG2 ILE A 44 -0.077 -8.754 4.813 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.843 -6.487 6.975 1.00 0.00 C ATOM 0 H ILE A 44 -1.106 -6.617 2.888 1.00 0.00 H new ATOM 0 HA ILE A 44 1.769 -6.338 3.283 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.462 -6.641 4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.038 -7.934 5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.190 -6.297 5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.473 -8.903 5.818 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.856 -8.967 4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.766 -9.426 4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.622 -6.287 7.711 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.304 -5.565 6.757 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.149 -7.227 7.373 1.00 0.00 H new ATOM 714 N ASN A 45 0.668 -9.214 2.177 1.00 0.00 N ATOM 715 CA ASN A 45 1.179 -10.468 1.554 1.00 0.00 C ATOM 716 C ASN A 45 2.216 -10.116 0.481 1.00 0.00 C ATOM 717 O ASN A 45 3.030 -10.930 0.092 1.00 0.00 O ATOM 718 CB ASN A 45 -0.049 -11.131 0.927 1.00 0.00 C ATOM 719 CG ASN A 45 -0.818 -11.896 2.005 1.00 0.00 C ATOM 720 OD1 ASN A 45 -0.496 -11.811 3.173 1.00 0.00 O ATOM 721 ND2 ASN A 45 -1.831 -12.643 1.660 1.00 0.00 N ATOM 0 H ASN A 45 -0.347 -9.116 2.203 1.00 0.00 H new ATOM 0 HA ASN A 45 1.665 -11.129 2.271 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.691 -10.377 0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.257 -11.810 0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.352 -13.155 2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.101 -12.714 0.679 1.00 0.00 H new ATOM 728 N ASP A 46 2.186 -8.898 0.006 1.00 0.00 N ATOM 729 CA ASP A 46 3.156 -8.458 -1.039 1.00 0.00 C ATOM 730 C ASP A 46 4.286 -7.642 -0.397 1.00 0.00 C ATOM 731 O ASP A 46 4.069 -6.937 0.569 1.00 0.00 O ATOM 732 CB ASP A 46 2.330 -7.584 -1.977 1.00 0.00 C ATOM 733 CG ASP A 46 3.060 -7.416 -3.309 1.00 0.00 C ATOM 734 OD1 ASP A 46 4.038 -6.689 -3.333 1.00 0.00 O ATOM 735 OD2 ASP A 46 2.631 -8.017 -4.279 1.00 0.00 O ATOM 0 H ASP A 46 1.523 -8.182 0.302 1.00 0.00 H new ATOM 0 HA ASP A 46 3.626 -9.293 -1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.352 -8.036 -2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.157 -6.609 -1.522 1.00 0.00 H new ATOM 740 N PRO A 47 5.460 -7.772 -0.953 1.00 0.00 N ATOM 741 CA PRO A 47 6.643 -7.045 -0.421 1.00 0.00 C ATOM 742 C PRO A 47 6.456 -5.525 -0.518 1.00 0.00 C ATOM 743 O PRO A 47 7.120 -4.772 0.168 1.00 0.00 O ATOM 744 CB PRO A 47 7.792 -7.536 -1.303 1.00 0.00 C ATOM 745 CG PRO A 47 7.127 -8.006 -2.555 1.00 0.00 C ATOM 746 CD PRO A 47 5.803 -8.581 -2.127 1.00 0.00 C ATOM 0 HA PRO A 47 6.819 -7.237 0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.505 -6.737 -1.508 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.346 -8.342 -0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.987 -7.183 -3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.734 -8.757 -3.062 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.052 -8.493 -2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.883 -9.639 -1.879 1.00 0.00 H new ATOM 754 N ARG A 48 5.550 -5.060 -1.336 1.00 0.00 N ATOM 755 CA ARG A 48 5.335 -3.584 -1.419 1.00 0.00 C ATOM 756 C ARG A 48 4.955 -3.041 -0.047 1.00 0.00 C ATOM 757 O ARG A 48 5.170 -1.883 0.253 1.00 0.00 O ATOM 758 CB ARG A 48 4.189 -3.367 -2.405 1.00 0.00 C ATOM 759 CG ARG A 48 4.748 -3.140 -3.807 1.00 0.00 C ATOM 760 CD ARG A 48 5.015 -4.482 -4.473 1.00 0.00 C ATOM 761 NE ARG A 48 3.683 -4.931 -4.970 1.00 0.00 N ATOM 762 CZ ARG A 48 3.594 -5.840 -5.907 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.662 -6.241 -6.543 1.00 0.00 N ATOM 764 NH2 ARG A 48 2.431 -6.348 -6.209 1.00 0.00 N ATOM 0 H ARG A 48 4.957 -5.627 -1.942 1.00 0.00 H new ATOM 0 HA ARG A 48 6.237 -3.068 -1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.527 -4.233 -2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.591 -2.508 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.041 -2.561 -4.402 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.669 -2.560 -3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.730 -4.383 -5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.436 -5.198 -3.767 1.00 0.00 H new ATOM 0 HE ARG A 48 2.834 -4.526 -4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.573 -5.845 -6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.585 -6.950 -7.272 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.595 -6.036 -5.715 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.358 -7.057 -6.939 1.00 0.00 H new ATOM 778 N TYR A 49 4.389 -3.863 0.795 1.00 0.00 N ATOM 779 CA TYR A 49 4.008 -3.373 2.143 1.00 0.00 C ATOM 780 C TYR A 49 5.259 -2.872 2.864 1.00 0.00 C ATOM 781 O TYR A 49 5.226 -1.910 3.609 1.00 0.00 O ATOM 782 CB TYR A 49 3.414 -4.582 2.866 1.00 0.00 C ATOM 783 CG TYR A 49 2.574 -4.098 4.020 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.300 -3.582 3.778 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.067 -4.161 5.327 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.512 -3.130 4.838 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.281 -3.708 6.391 1.00 0.00 C ATOM 788 CZ TYR A 49 1.002 -3.193 6.148 1.00 0.00 C ATOM 789 OH TYR A 49 0.229 -2.747 7.198 1.00 0.00 O ATOM 0 H TYR A 49 4.177 -4.843 0.607 1.00 0.00 H new ATOM 0 HA TYR A 49 3.295 -2.549 2.105 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.807 -5.171 2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.210 -5.234 3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.923 -3.532 2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.053 -4.559 5.514 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.474 -2.732 4.648 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.661 -3.755 7.401 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.252 -1.936 6.929 1.00 0.00 H new ATOM 799 N SER A 50 6.373 -3.503 2.620 1.00 0.00 N ATOM 800 CA SER A 50 7.631 -3.056 3.270 1.00 0.00 C ATOM 801 C SER A 50 8.065 -1.730 2.652 1.00 0.00 C ATOM 802 O SER A 50 8.964 -1.071 3.134 1.00 0.00 O ATOM 803 CB SER A 50 8.649 -4.155 2.970 1.00 0.00 C ATOM 804 OG SER A 50 9.912 -3.564 2.702 1.00 0.00 O ATOM 0 H SER A 50 6.465 -4.307 1.999 1.00 0.00 H new ATOM 0 HA SER A 50 7.524 -2.900 4.343 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.726 -4.837 3.817 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.322 -4.746 2.114 1.00 0.00 H new ATOM 0 HG SER A 50 10.568 -4.267 2.511 1.00 0.00 H new ATOM 810 N ALA A 51 7.404 -1.316 1.602 1.00 0.00 N ATOM 811 CA ALA A 51 7.751 -0.015 0.977 1.00 0.00 C ATOM 812 C ALA A 51 7.513 1.086 2.006 1.00 0.00 C ATOM 813 O ALA A 51 8.091 2.152 1.944 1.00 0.00 O ATOM 814 CB ALA A 51 6.792 0.132 -0.205 1.00 0.00 C ATOM 0 H ALA A 51 6.641 -1.825 1.155 1.00 0.00 H new ATOM 0 HA ALA A 51 8.788 0.045 0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.988 1.073 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.939 -0.696 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.764 0.124 0.157 1.00 0.00 H new ATOM 820 N LEU A 52 6.668 0.816 2.969 1.00 0.00 N ATOM 821 CA LEU A 52 6.390 1.826 4.026 1.00 0.00 C ATOM 822 C LEU A 52 6.809 1.267 5.386 1.00 0.00 C ATOM 823 O LEU A 52 6.322 0.243 5.826 1.00 0.00 O ATOM 824 CB LEU A 52 4.879 2.061 3.975 1.00 0.00 C ATOM 825 CG LEU A 52 4.500 2.792 2.679 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.116 3.420 2.838 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.516 3.898 2.379 1.00 0.00 C ATOM 0 H LEU A 52 6.160 -0.063 3.066 1.00 0.00 H new ATOM 0 HA LEU A 52 6.939 2.755 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.353 1.108 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.566 2.649 4.838 1.00 0.00 H new ATOM 0 HG LEU A 52 4.495 2.075 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.845 3.940 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.384 2.639 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.131 4.130 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.236 4.409 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.528 4.613 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.507 3.460 2.264 1.00 0.00 H new ATOM 839 N ALA A 53 7.721 1.921 6.046 1.00 0.00 N ATOM 840 CA ALA A 53 8.191 1.422 7.370 1.00 0.00 C ATOM 841 C ALA A 53 7.167 1.733 8.465 1.00 0.00 C ATOM 842 O ALA A 53 7.085 1.040 9.461 1.00 0.00 O ATOM 843 CB ALA A 53 9.497 2.174 7.630 1.00 0.00 C ATOM 0 H ALA A 53 8.164 2.782 5.726 1.00 0.00 H new ATOM 0 HA ALA A 53 8.328 0.341 7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.911 1.864 8.589 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.210 1.949 6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.302 3.246 7.649 1.00 0.00 H new ATOM 849 N LYS A 54 6.394 2.770 8.302 1.00 0.00 N ATOM 850 CA LYS A 54 5.396 3.116 9.354 1.00 0.00 C ATOM 851 C LYS A 54 3.968 2.818 8.885 1.00 0.00 C ATOM 852 O LYS A 54 3.615 3.000 7.733 1.00 0.00 O ATOM 853 CB LYS A 54 5.582 4.613 9.595 1.00 0.00 C ATOM 854 CG LYS A 54 5.553 4.891 11.097 1.00 0.00 C ATOM 855 CD LYS A 54 6.912 4.540 11.704 1.00 0.00 C ATOM 856 CE LYS A 54 6.797 4.504 13.229 1.00 0.00 C ATOM 857 NZ LYS A 54 8.041 3.831 13.692 1.00 0.00 N ATOM 0 H LYS A 54 6.409 3.390 7.492 1.00 0.00 H new ATOM 0 HA LYS A 54 5.545 2.529 10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.529 4.946 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.793 5.174 9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.321 5.940 11.280 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.767 4.303 11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.249 3.573 11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.658 5.276 11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.714 5.509 13.643 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.910 3.955 13.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.036 3.768 14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.089 2.874 13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.868 4.380 13.382 1.00 0.00 H new ATOM 871 N LEU A 55 3.137 2.368 9.784 1.00 0.00 N ATOM 872 CA LEU A 55 1.729 2.066 9.413 1.00 0.00 C ATOM 873 C LEU A 55 0.978 3.366 9.128 1.00 0.00 C ATOM 874 O LEU A 55 0.066 3.402 8.328 1.00 0.00 O ATOM 875 CB LEU A 55 1.136 1.350 10.625 1.00 0.00 C ATOM 876 CG LEU A 55 0.315 0.154 10.145 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.706 0.623 9.108 1.00 0.00 C ATOM 878 CD2 LEU A 55 1.247 -0.877 9.505 1.00 0.00 C ATOM 0 H LEU A 55 3.374 2.197 10.761 1.00 0.00 H new ATOM 0 HA LEU A 55 1.659 1.452 8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.931 1.017 11.292 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.507 2.034 11.195 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.203 -0.296 10.992 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.293 -0.229 8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.369 1.362 9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.185 1.070 8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.664 -1.731 9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.762 -0.425 8.657 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.980 -1.210 10.239 1.00 0.00 H new ATOM 890 N SER A 56 1.355 4.438 9.774 1.00 0.00 N ATOM 891 CA SER A 56 0.652 5.727 9.524 1.00 0.00 C ATOM 892 C SER A 56 0.738 6.067 8.037 1.00 0.00 C ATOM 893 O SER A 56 -0.241 6.434 7.418 1.00 0.00 O ATOM 894 CB SER A 56 1.409 6.761 10.356 1.00 0.00 C ATOM 895 OG SER A 56 1.682 6.223 11.644 1.00 0.00 O ATOM 0 H SER A 56 2.112 4.476 10.457 1.00 0.00 H new ATOM 0 HA SER A 56 -0.404 5.692 9.793 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.340 7.033 9.859 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.819 7.673 10.448 1.00 0.00 H new ATOM 0 HG SER A 56 2.169 6.885 12.178 1.00 0.00 H new ATOM 901 N GLU A 57 1.893 5.917 7.448 1.00 0.00 N ATOM 902 CA GLU A 57 2.019 6.203 5.993 1.00 0.00 C ATOM 903 C GLU A 57 1.331 5.082 5.211 1.00 0.00 C ATOM 904 O GLU A 57 0.715 5.311 4.190 1.00 0.00 O ATOM 905 CB GLU A 57 3.521 6.244 5.702 1.00 0.00 C ATOM 906 CG GLU A 57 4.177 4.938 6.147 1.00 0.00 C ATOM 907 CD GLU A 57 5.581 4.850 5.548 1.00 0.00 C ATOM 908 OE1 GLU A 57 5.985 5.799 4.896 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.228 3.836 5.747 1.00 0.00 O ATOM 0 H GLU A 57 2.750 5.611 7.909 1.00 0.00 H new ATOM 0 HA GLU A 57 1.551 7.144 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.689 6.400 4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.978 7.086 6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.230 4.896 7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.577 4.087 5.824 1.00 0.00 H new ATOM 916 N LYS A 58 1.422 3.869 5.694 1.00 0.00 N ATOM 917 CA LYS A 58 0.760 2.736 4.986 1.00 0.00 C ATOM 918 C LYS A 58 -0.745 2.998 4.894 1.00 0.00 C ATOM 919 O LYS A 58 -1.360 2.809 3.862 1.00 0.00 O ATOM 920 CB LYS A 58 1.030 1.508 5.859 1.00 0.00 C ATOM 921 CG LYS A 58 2.465 1.029 5.639 1.00 0.00 C ATOM 922 CD LYS A 58 2.698 -0.263 6.426 1.00 0.00 C ATOM 923 CE LYS A 58 3.888 -1.016 5.831 1.00 0.00 C ATOM 924 NZ LYS A 58 4.744 -1.371 6.996 1.00 0.00 N ATOM 0 H LYS A 58 1.925 3.616 6.545 1.00 0.00 H new ATOM 0 HA LYS A 58 1.134 2.603 3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.875 1.755 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.328 0.712 5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.644 0.858 4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.169 1.796 5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.887 -0.033 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.805 -0.888 6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.562 -1.907 5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.430 -0.395 5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.569 -0.739 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.196 -1.267 7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.066 -2.356 6.903 1.00 0.00 H new ATOM 938 N LYS A 59 -1.337 3.441 5.967 1.00 0.00 N ATOM 939 CA LYS A 59 -2.800 3.727 5.954 1.00 0.00 C ATOM 940 C LYS A 59 -3.075 4.968 5.103 1.00 0.00 C ATOM 941 O LYS A 59 -4.036 5.025 4.361 1.00 0.00 O ATOM 942 CB LYS A 59 -3.166 3.983 7.416 1.00 0.00 C ATOM 943 CG LYS A 59 -3.397 2.647 8.125 1.00 0.00 C ATOM 944 CD LYS A 59 -4.062 2.897 9.479 1.00 0.00 C ATOM 945 CE LYS A 59 -3.240 2.228 10.583 1.00 0.00 C ATOM 946 NZ LYS A 59 -4.160 2.146 11.750 1.00 0.00 N ATOM 0 H LYS A 59 -0.870 3.618 6.856 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.384 2.910 5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.367 4.536 7.911 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.064 4.598 7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.027 2.002 7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.449 2.128 8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.138 3.968 9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.077 2.501 9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.900 1.238 10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.350 2.811 10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.668 1.698 12.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.462 3.103 12.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.994 1.579 11.495 1.00 0.00 H new ATOM 960 N GLN A 60 -2.228 5.958 5.194 1.00 0.00 N ATOM 961 CA GLN A 60 -2.435 7.186 4.378 1.00 0.00 C ATOM 962 C GLN A 60 -2.392 6.818 2.899 1.00 0.00 C ATOM 963 O GLN A 60 -3.176 7.290 2.100 1.00 0.00 O ATOM 964 CB GLN A 60 -1.268 8.103 4.736 1.00 0.00 C ATOM 965 CG GLN A 60 -1.753 9.168 5.714 1.00 0.00 C ATOM 966 CD GLN A 60 -0.567 10.006 6.193 1.00 0.00 C ATOM 967 OE1 GLN A 60 -0.114 10.893 5.496 1.00 0.00 O ATOM 968 NE2 GLN A 60 -0.043 9.763 7.363 1.00 0.00 N ATOM 0 H GLN A 60 -1.405 5.969 5.796 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.395 7.666 4.571 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.458 7.525 5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.869 8.572 3.837 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.492 9.808 5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.245 8.697 6.565 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.423 9.019 7.948 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.747 10.317 7.693 1.00 0.00 H new ATOM 977 N ALA A 61 -1.483 5.962 2.538 1.00 0.00 N ATOM 978 CA ALA A 61 -1.384 5.535 1.116 1.00 0.00 C ATOM 979 C ALA A 61 -2.623 4.720 0.742 1.00 0.00 C ATOM 980 O ALA A 61 -3.173 4.864 -0.332 1.00 0.00 O ATOM 981 CB ALA A 61 -0.127 4.668 1.051 1.00 0.00 C ATOM 0 H ALA A 61 -0.801 5.537 3.167 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.328 6.376 0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.017 4.312 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.738 5.258 1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.238 3.815 1.720 1.00 0.00 H new ATOM 987 N PHE A 62 -3.074 3.870 1.627 1.00 0.00 N ATOM 988 CA PHE A 62 -4.284 3.056 1.324 1.00 0.00 C ATOM 989 C PHE A 62 -5.488 3.983 1.141 1.00 0.00 C ATOM 990 O PHE A 62 -6.251 3.851 0.204 1.00 0.00 O ATOM 991 CB PHE A 62 -4.468 2.157 2.547 1.00 0.00 C ATOM 992 CG PHE A 62 -5.837 1.525 2.505 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.434 1.234 1.273 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.512 1.234 3.697 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.701 0.652 1.228 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.784 0.650 3.654 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.379 0.359 2.419 1.00 0.00 C ATOM 0 H PHE A 62 -2.657 3.706 2.543 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.186 2.472 0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.699 1.384 2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.353 2.740 3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.912 1.461 0.355 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.052 1.460 4.648 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.159 0.427 0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.306 0.424 4.572 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.360 -0.091 2.385 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.650 4.942 2.011 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.790 5.887 1.857 1.00 0.00 C ATOM 1009 C ASN A 63 -6.618 6.640 0.537 1.00 0.00 C ATOM 1010 O ASN A 63 -7.530 6.753 -0.259 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.708 6.824 3.076 1.00 0.00 C ATOM 1012 CG ASN A 63 -5.939 8.107 2.739 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -4.877 8.354 3.275 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -6.439 8.945 1.871 1.00 0.00 N ATOM 0 H ASN A 63 -5.047 5.111 2.816 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.764 5.399 1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.714 7.077 3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.217 6.309 3.902 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.938 9.804 1.645 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.330 8.740 1.419 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.436 7.131 0.297 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.171 7.853 -0.977 1.00 0.00 C ATOM 1023 C ALA A 64 -5.443 6.912 -2.150 1.00 0.00 C ATOM 1024 O ALA A 64 -5.916 7.319 -3.192 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.689 8.231 -0.920 1.00 0.00 C ATOM 0 H ALA A 64 -4.639 7.063 0.930 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.802 8.733 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.415 8.769 -1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.509 8.867 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.086 7.327 -0.838 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.157 5.649 -1.977 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.407 4.669 -3.069 1.00 0.00 C ATOM 1033 C TYR A 65 -6.904 4.626 -3.386 1.00 0.00 C ATOM 1034 O TYR A 65 -7.305 4.615 -4.533 1.00 0.00 O ATOM 1035 CB TYR A 65 -4.922 3.328 -2.506 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.591 2.189 -3.236 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.014 1.677 -4.404 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.789 1.646 -2.747 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.631 0.622 -5.084 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.405 0.591 -3.430 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.826 0.079 -4.598 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.433 -0.959 -5.272 1.00 0.00 O ATOM 0 H TYR A 65 -4.760 5.255 -1.124 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.895 4.923 -3.997 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.840 3.251 -2.609 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.146 3.269 -1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.093 2.097 -4.780 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.235 2.041 -1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.185 0.226 -5.985 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.327 0.172 -3.056 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.390 -0.971 -5.061 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.734 4.610 -2.378 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.203 4.577 -2.629 1.00 0.00 C ATOM 1054 C LYS A 66 -9.662 5.903 -3.248 1.00 0.00 C ATOM 1055 O LYS A 66 -10.573 5.942 -4.050 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.843 4.385 -1.255 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.225 3.175 -0.556 1.00 0.00 C ATOM 1058 CD LYS A 66 -10.084 2.793 0.652 1.00 0.00 C ATOM 1059 CE LYS A 66 -10.167 3.978 1.618 1.00 0.00 C ATOM 1060 NZ LYS A 66 -11.622 4.282 1.731 1.00 0.00 N ATOM 0 H LYS A 66 -7.460 4.618 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.482 3.783 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.698 5.279 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.918 4.244 -1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.158 2.336 -1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.209 3.406 -0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.084 2.507 0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.655 1.928 1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.740 3.727 2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.613 4.836 1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.753 5.302 1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.105 3.998 0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.025 3.758 2.534 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.040 6.990 -2.875 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.447 8.312 -3.437 1.00 0.00 C ATOM 1076 C VAL A 67 -9.236 8.335 -4.954 1.00 0.00 C ATOM 1077 O VAL A 67 -9.989 8.946 -5.685 1.00 0.00 O ATOM 1078 CB VAL A 67 -8.537 9.335 -2.756 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -8.740 10.706 -3.404 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -8.884 9.421 -1.268 1.00 0.00 C ATOM 0 H VAL A 67 -8.270 7.020 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.502 8.523 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.498 9.027 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.092 11.437 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.493 10.648 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.780 11.012 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.234 10.151 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.923 9.729 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.742 8.445 -0.804 1.00 0.00 H new