USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 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: B 53 GLN : amide:sc= 0.473 K(o=-0.52,f=-6.8!) USER MOD Set 1.2: B 97 GLN :FLIP amide:sc= -0.994 F(o=-1.8!,f=-0.52) USER MOD Set 2.1: B 81 ASN :FLIP amide:sc= -0.773 F(o=-0.68,f=0.093) USER MOD Set 2.2: B 84 THR OG1 : rot 132:sc= 0.866 USER MOD Set 3.1: A 52 GLN :FLIP amide:sc= -8.03! C(o=-19!,f=-14!) USER MOD Set 3.2: B 56 SER OG : rot 61:sc= 2 USER MOD Set 3.3: B 64 GLN : amide:sc= -7.58! C(o=-14!,f=-15!) USER MOD Single : B 13 LYS NZ :NH3+ -125:sc= -2.83! (180deg=-3.33!) USER MOD Single : B 14 LYS NZ :NH3+ 171:sc= 1.83 (180deg=1.8) USER MOD Single : B 17 GLN : amide:sc= -1.91! X(o=-1.9!,f=-1.5) USER MOD Single : B 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0621) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= 0.952 K(o=0.95,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -121:sc= -0.0866 (180deg=-1.8!) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0.0413 USER MOD Single : B 44 SER OG : rot -150:sc= 1.01 USER MOD Single : B 45 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.58) USER MOD Single : B 46 MET CE :methyl 160:sc= -0.0597 (180deg=-0.457) USER MOD Single : B 47 TYR OH : rot 158:sc= 1.25 USER MOD Single : B 51 LYS NZ :NH3+ -166:sc= 2.11 (180deg=1.61) USER MOD Single : B 52 CYS SG : rot -65:sc= -0.278 USER MOD Single : B 54 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.13) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc=-0.00709 (180deg=-0.00709) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -1.62! C(o=-1.6!,f=-3.7!) USER MOD Single : B 70 HIS :FLIP no HD1:sc= -0.675 F(o=-2.7,f=-0.68) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 76 ASN : amide:sc= -1.28 K(o=-1.3,f=-5.8!) USER MOD Single : B 78 HIS : no HD1:sc= -3.25! X(o=-3.2!,f=-3.6) USER MOD Single : B 80 SER OG : rot -67:sc= 1.24 USER MOD Single : B 83 SER OG : rot 74:sc= 1.09 USER MOD Single : B 87 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.08) USER MOD Single : B 93 LYS NZ :NH3+ -159:sc= 2.3 (180deg=2.02) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 102 LYS NZ :NH3+ 164:sc= -0.172 (180deg=-0.528) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.540 8.254 13.417 1.00 0.00 N ATOM 135 CA ILE A 50 -1.672 8.064 12.596 1.00 0.00 C ATOM 136 C ILE A 50 -2.349 6.714 12.809 1.00 0.00 C ATOM 137 O ILE A 50 -1.888 5.665 12.365 1.00 0.00 O ATOM 138 CB ILE A 50 -1.203 8.324 11.140 1.00 0.00 C ATOM 139 CG1 ILE A 50 -1.667 9.698 10.698 1.00 0.00 C ATOM 140 CG2 ILE A 50 -1.643 7.275 10.153 1.00 0.00 C ATOM 141 CD1 ILE A 50 -0.729 10.353 9.734 1.00 0.00 C ATOM 0 HA ILE A 50 -2.466 8.764 12.857 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.114 8.273 11.150 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.651 9.612 10.236 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.781 10.336 11.575 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.274 7.532 9.160 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.242 6.306 10.449 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.732 7.227 10.134 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.118 11.333 9.457 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.249 10.470 10.200 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.634 9.734 8.842 1.00 0.00 H new ATOM 153 N GLU A 51 -3.418 6.769 13.583 1.00 0.00 N ATOM 154 CA GLU A 51 -4.266 5.613 13.837 1.00 0.00 C ATOM 155 C GLU A 51 -5.730 6.023 13.701 1.00 0.00 C ATOM 156 O GLU A 51 -6.631 5.439 14.291 1.00 0.00 O ATOM 157 CB GLU A 51 -3.986 4.940 15.180 1.00 0.00 C ATOM 158 CG GLU A 51 -2.895 3.877 15.100 1.00 0.00 C ATOM 159 CD GLU A 51 -3.106 2.903 13.947 1.00 0.00 C ATOM 160 OE1 GLU A 51 -4.183 2.272 13.886 1.00 0.00 O ATOM 161 OE2 GLU A 51 -2.200 2.769 13.098 1.00 0.00 O ATOM 0 H GLU A 51 -3.725 7.619 14.056 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.031 4.856 13.089 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.693 5.699 15.906 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.904 4.483 15.549 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.927 4.364 14.986 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.864 3.322 16.038 1.00 0.00 H new ATOM 168 N GLN A 52 -5.924 7.068 12.908 1.00 0.00 N ATOM 169 CA GLN A 52 -7.240 7.583 12.562 1.00 0.00 C ATOM 170 C GLN A 52 -7.545 7.042 11.192 1.00 0.00 C ATOM 171 O GLN A 52 -7.278 7.654 10.155 1.00 0.00 O ATOM 172 CB GLN A 52 -7.280 9.125 12.611 1.00 0.00 C ATOM 173 CG GLN A 52 -6.374 9.834 11.601 1.00 0.00 C ATOM 174 CD GLN A 52 -4.905 9.538 11.790 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.401 8.549 11.060 1.00 0.00 O flip ATOM 176 NE2 GLN A 52 -4.221 10.194 12.573 1.00 0.00 N flip ATOM 0 H GLN A 52 -5.159 7.589 12.481 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.996 7.264 13.279 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.307 9.451 12.445 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.001 9.448 13.614 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.668 9.540 10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.532 10.910 11.678 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.646 10.946 13.115 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.228 9.987 12.680 1.00 0.00 H new ATOM 185 N TRP A 53 -8.043 5.841 11.199 1.00 0.00 N ATOM 186 CA TRP A 53 -8.307 5.153 9.981 1.00 0.00 C ATOM 187 C TRP A 53 -9.701 4.603 9.927 1.00 0.00 C ATOM 188 O TRP A 53 -10.470 4.674 10.880 1.00 0.00 O ATOM 189 CB TRP A 53 -7.341 3.980 9.858 1.00 0.00 C ATOM 190 CG TRP A 53 -5.894 4.357 9.881 1.00 0.00 C ATOM 191 CD1 TRP A 53 -5.171 4.838 10.917 1.00 0.00 C ATOM 192 CD2 TRP A 53 -5.006 4.257 8.800 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.873 5.055 10.530 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.749 4.704 9.222 1.00 0.00 C ATOM 195 CE3 TRP A 53 -5.167 3.834 7.516 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.656 4.736 8.365 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -4.113 3.857 6.675 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.868 4.305 7.090 1.00 0.00 C ATOM 0 H TRP A 53 -8.274 5.319 12.044 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.186 5.870 9.169 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.533 3.282 10.672 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.550 3.451 8.928 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.560 5.025 11.907 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.127 5.418 11.123 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.130 3.483 7.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.688 5.085 8.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.241 3.519 5.657 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.048 4.312 6.387 1.00 0.00 H new ATOM 209 N PHE A 54 -10.012 4.109 8.757 1.00 0.00 N ATOM 210 CA PHE A 54 -11.248 3.437 8.503 1.00 0.00 C ATOM 211 C PHE A 54 -10.837 2.037 8.205 1.00 0.00 C ATOM 212 O PHE A 54 -10.518 1.715 7.059 1.00 0.00 O ATOM 213 CB PHE A 54 -11.980 4.038 7.315 1.00 0.00 C ATOM 214 CG PHE A 54 -12.011 5.522 7.354 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.308 6.181 8.531 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.749 6.261 6.223 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.346 7.541 8.581 1.00 0.00 C ATOM 218 CE2 PHE A 54 -11.790 7.625 6.258 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.092 8.277 7.442 1.00 0.00 C ATOM 0 H PHE A 54 -9.399 4.166 7.944 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.937 3.515 9.344 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.498 3.713 6.393 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.001 3.658 7.292 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.513 5.609 9.424 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.509 5.757 5.299 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.574 8.042 9.510 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.587 8.195 5.363 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.128 9.356 7.474 1.00 0.00 H new ATOM 246 N GLU A 56 -11.086 -0.788 6.976 1.00 0.00 N ATOM 247 CA GLU A 56 -11.861 -1.512 5.987 1.00 0.00 C ATOM 248 C GLU A 56 -11.977 -3.006 6.258 1.00 0.00 C ATOM 249 O GLU A 56 -13.049 -3.587 6.106 1.00 0.00 O ATOM 250 CB GLU A 56 -11.185 -1.343 4.644 1.00 0.00 C ATOM 251 CG GLU A 56 -11.249 0.066 4.097 1.00 0.00 C ATOM 252 CD GLU A 56 -10.815 0.106 2.658 1.00 0.00 C ATOM 253 OE1 GLU A 56 -9.595 0.036 2.407 1.00 0.00 O ATOM 254 OE2 GLU A 56 -11.693 0.174 1.774 1.00 0.00 O ATOM 0 HA GLU A 56 -12.869 -1.100 6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.140 -1.640 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.648 -2.022 3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.266 0.448 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.611 0.720 4.691 1.00 0.00 H new ATOM 261 N ASP A 57 -10.878 -3.622 6.660 1.00 0.00 N ATOM 262 CA ASP A 57 -10.869 -5.066 6.855 1.00 0.00 C ATOM 263 C ASP A 57 -11.515 -5.557 8.156 1.00 0.00 C ATOM 264 O ASP A 57 -12.470 -6.330 8.096 1.00 0.00 O ATOM 265 CB ASP A 57 -9.463 -5.633 6.668 1.00 0.00 C ATOM 266 CG ASP A 57 -9.461 -7.144 6.523 1.00 0.00 C ATOM 267 OD1 ASP A 57 -9.345 -7.846 7.547 1.00 0.00 O ATOM 268 OD2 ASP A 57 -9.549 -7.635 5.378 1.00 0.00 O ATOM 0 H ASP A 57 -9.992 -3.156 6.856 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.519 -5.461 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.009 -5.186 5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.845 -5.352 7.521 1.00 0.00 H new ATOM 415 N GLU B 7 3.986 -9.184 -12.528 1.00 0.00 N ATOM 416 CA GLU B 7 3.230 -8.183 -13.248 1.00 0.00 C ATOM 417 C GLU B 7 3.011 -6.970 -12.349 1.00 0.00 C ATOM 418 O GLU B 7 3.016 -7.093 -11.124 1.00 0.00 O ATOM 419 CB GLU B 7 1.905 -8.789 -13.748 1.00 0.00 C ATOM 420 CG GLU B 7 0.672 -7.933 -13.509 1.00 0.00 C ATOM 421 CD GLU B 7 -0.087 -8.357 -12.271 1.00 0.00 C ATOM 422 OE1 GLU B 7 0.440 -8.158 -11.157 1.00 0.00 O ATOM 423 OE2 GLU B 7 -1.201 -8.894 -12.412 1.00 0.00 O ATOM 0 HA GLU B 7 3.784 -7.849 -14.125 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.993 -8.982 -14.817 1.00 0.00 H new ATOM 0 HB3 GLU B 7 1.758 -9.753 -13.261 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.970 -6.889 -13.411 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.014 -7.996 -14.376 1.00 0.00 H new ATOM 430 N VAL B 8 2.899 -5.798 -12.950 1.00 0.00 N ATOM 431 CA VAL B 8 2.676 -4.581 -12.199 1.00 0.00 C ATOM 432 C VAL B 8 1.242 -4.122 -12.407 1.00 0.00 C ATOM 433 O VAL B 8 0.810 -3.898 -13.538 1.00 0.00 O ATOM 434 CB VAL B 8 3.655 -3.465 -12.617 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.555 -2.281 -11.666 1.00 0.00 C ATOM 436 CG2 VAL B 8 5.081 -3.998 -12.664 1.00 0.00 C ATOM 0 H VAL B 8 2.960 -5.666 -13.960 1.00 0.00 H new ATOM 0 HA VAL B 8 2.852 -4.791 -11.144 1.00 0.00 H new ATOM 0 HB VAL B 8 3.383 -3.124 -13.616 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.253 -1.504 -11.977 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.540 -1.885 -11.684 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.800 -2.605 -10.655 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.759 -3.198 -12.961 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.364 -4.367 -11.678 1.00 0.00 H new ATOM 0 HG23 VAL B 8 5.142 -4.812 -13.387 1.00 0.00 H new ATOM 446 N LEU B 9 0.516 -3.978 -11.315 1.00 0.00 N ATOM 447 CA LEU B 9 -0.875 -3.581 -11.365 1.00 0.00 C ATOM 448 C LEU B 9 -1.010 -2.095 -11.149 1.00 0.00 C ATOM 449 O LEU B 9 -1.798 -1.427 -11.815 1.00 0.00 O ATOM 450 CB LEU B 9 -1.679 -4.310 -10.288 1.00 0.00 C ATOM 451 CG LEU B 9 -1.930 -5.793 -10.537 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.588 -6.423 -9.322 1.00 0.00 C ATOM 453 CD2 LEU B 9 -2.798 -5.989 -11.768 1.00 0.00 C ATOM 0 H LEU B 9 0.874 -4.133 -10.372 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.261 -3.843 -12.350 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.157 -4.204 -9.337 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.642 -3.811 -10.180 1.00 0.00 H new ATOM 0 HG LEU B 9 -0.972 -6.282 -10.712 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.763 -7.482 -9.511 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.935 -6.312 -8.456 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.539 -5.928 -9.126 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -2.966 -7.054 -11.929 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -3.755 -5.489 -11.622 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.297 -5.565 -12.638 1.00 0.00 H new ATOM 465 N LEU B 10 -0.236 -1.572 -10.214 1.00 0.00 N ATOM 466 CA LEU B 10 -0.317 -0.162 -9.914 1.00 0.00 C ATOM 467 C LEU B 10 1.031 0.427 -9.548 1.00 0.00 C ATOM 468 O LEU B 10 1.867 -0.230 -8.929 1.00 0.00 O ATOM 469 CB LEU B 10 -1.255 0.064 -8.738 1.00 0.00 C ATOM 470 CG LEU B 10 -2.012 1.395 -8.761 1.00 0.00 C ATOM 471 CD1 LEU B 10 -2.968 1.453 -9.943 1.00 0.00 C ATOM 472 CD2 LEU B 10 -2.767 1.602 -7.463 1.00 0.00 C ATOM 0 H LEU B 10 0.443 -2.095 -9.661 1.00 0.00 H new ATOM 0 HA LEU B 10 -0.684 0.329 -10.815 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -1.980 -0.749 -8.710 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.677 0.008 -7.816 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.282 2.197 -8.870 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.495 2.407 -9.939 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.405 1.353 -10.871 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -3.690 0.640 -9.867 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.298 2.553 -7.499 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.483 0.791 -7.325 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.064 1.611 -6.630 1.00 0.00 H new ATOM 484 N ILE B 11 1.221 1.664 -9.957 1.00 0.00 N ATOM 485 CA ILE B 11 2.417 2.421 -9.633 1.00 0.00 C ATOM 486 C ILE B 11 1.993 3.774 -9.081 1.00 0.00 C ATOM 487 O ILE B 11 1.518 4.641 -9.817 1.00 0.00 O ATOM 488 CB ILE B 11 3.346 2.626 -10.852 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.858 1.277 -11.363 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.514 3.539 -10.482 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.707 1.378 -12.613 1.00 0.00 C ATOM 0 H ILE B 11 0.548 2.177 -10.526 1.00 0.00 H new ATOM 0 HA ILE B 11 2.986 1.853 -8.897 1.00 0.00 H new ATOM 0 HB ILE B 11 2.776 3.103 -11.649 1.00 0.00 H new ATOM 0 HG12 ILE B 11 4.442 0.799 -10.576 1.00 0.00 H new ATOM 0 HG13 ILE B 11 3.006 0.629 -11.566 1.00 0.00 H new ATOM 0 HG21 ILE B 11 5.159 3.674 -11.350 1.00 0.00 H new ATOM 0 HG22 ILE B 11 4.131 4.507 -10.160 1.00 0.00 H new ATOM 0 HG23 ILE B 11 5.086 3.088 -9.671 1.00 0.00 H new ATOM 0 HD11 ILE B 11 5.032 0.382 -12.913 1.00 0.00 H new ATOM 0 HD12 ILE B 11 4.121 1.826 -13.416 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.580 1.999 -12.411 1.00 0.00 H new ATOM 503 N VAL B 12 2.154 3.937 -7.783 1.00 0.00 N ATOM 504 CA VAL B 12 1.789 5.172 -7.115 1.00 0.00 C ATOM 505 C VAL B 12 3.043 5.969 -6.816 1.00 0.00 C ATOM 506 O VAL B 12 4.062 5.397 -6.461 1.00 0.00 O ATOM 507 CB VAL B 12 1.028 4.899 -5.804 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.296 6.146 -5.340 1.00 0.00 C ATOM 509 CG2 VAL B 12 0.058 3.741 -5.976 1.00 0.00 C ATOM 0 H VAL B 12 2.539 3.223 -7.164 1.00 0.00 H new ATOM 0 HA VAL B 12 1.132 5.737 -7.776 1.00 0.00 H new ATOM 0 HB VAL B 12 1.755 4.624 -5.039 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.235 5.932 -4.413 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.015 6.948 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.418 6.454 -6.104 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.469 3.565 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.663 3.983 -6.757 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.609 2.843 -6.256 1.00 0.00 H new ATOM 519 N LYS B 13 2.966 7.277 -6.949 1.00 0.00 N ATOM 520 CA LYS B 13 4.128 8.132 -6.717 1.00 0.00 C ATOM 521 C LYS B 13 3.973 8.958 -5.455 1.00 0.00 C ATOM 522 O LYS B 13 2.872 9.080 -4.914 1.00 0.00 O ATOM 523 CB LYS B 13 4.342 9.069 -7.899 1.00 0.00 C ATOM 524 CG LYS B 13 4.175 8.391 -9.241 1.00 0.00 C ATOM 525 CD LYS B 13 3.113 9.080 -10.085 1.00 0.00 C ATOM 526 CE LYS B 13 1.699 8.755 -9.610 1.00 0.00 C ATOM 527 NZ LYS B 13 1.258 9.623 -8.479 1.00 0.00 N ATOM 0 H LYS B 13 2.118 7.777 -7.215 1.00 0.00 H new ATOM 0 HA LYS B 13 4.991 7.477 -6.600 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.637 9.897 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.343 9.496 -7.838 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.126 8.398 -9.774 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.901 7.347 -9.091 1.00 0.00 H new ATOM 0 HD2 LYS B 13 3.267 10.158 -10.051 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.224 8.775 -11.126 1.00 0.00 H new ATOM 0 HE2 LYS B 13 1.005 8.870 -10.443 1.00 0.00 H new ATOM 0 HE3 LYS B 13 1.655 7.711 -9.300 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 0.958 9.028 -7.681 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 2.047 10.231 -8.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 0.461 10.216 -8.787 1.00 0.00 H new ATOM 541 N LYS B 14 5.086 9.542 -5.024 1.00 0.00 N ATOM 542 CA LYS B 14 5.143 10.374 -3.832 1.00 0.00 C ATOM 543 C LYS B 14 4.584 9.657 -2.606 1.00 0.00 C ATOM 544 O LYS B 14 4.042 10.283 -1.688 1.00 0.00 O ATOM 545 CB LYS B 14 4.418 11.687 -4.094 1.00 0.00 C ATOM 546 CG LYS B 14 5.325 12.780 -4.644 1.00 0.00 C ATOM 547 CD LYS B 14 4.960 14.150 -4.093 1.00 0.00 C ATOM 548 CE LYS B 14 3.716 14.715 -4.761 1.00 0.00 C ATOM 549 NZ LYS B 14 3.239 15.950 -4.079 1.00 0.00 N ATOM 0 H LYS B 14 5.983 9.448 -5.500 1.00 0.00 H new ATOM 0 HA LYS B 14 6.188 10.587 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.606 11.510 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS B 14 3.965 12.035 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.361 12.552 -4.394 1.00 0.00 H new ATOM 0 HG3 LYS B 14 5.256 12.796 -5.732 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.794 14.077 -3.018 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.795 14.835 -4.241 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.933 14.937 -5.806 1.00 0.00 H new ATOM 0 HE3 LYS B 14 2.925 13.965 -4.751 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.487 16.391 -4.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.866 15.706 -3.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.030 16.617 -3.975 1.00 0.00 H new ATOM 563 N VAL B 15 4.716 8.341 -2.596 1.00 0.00 N ATOM 564 CA VAL B 15 4.264 7.540 -1.473 1.00 0.00 C ATOM 565 C VAL B 15 5.401 7.425 -0.475 1.00 0.00 C ATOM 566 O VAL B 15 6.409 6.783 -0.744 1.00 0.00 O ATOM 567 CB VAL B 15 3.793 6.132 -1.899 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.174 5.400 -0.718 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.797 6.238 -3.038 1.00 0.00 C ATOM 0 H VAL B 15 5.134 7.804 -3.356 1.00 0.00 H new ATOM 0 HA VAL B 15 3.402 8.036 -1.027 1.00 0.00 H new ATOM 0 HB VAL B 15 4.657 5.562 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.847 4.410 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.913 5.301 0.077 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.317 5.964 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.471 5.240 -3.331 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.935 6.821 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.268 6.730 -3.889 1.00 0.00 H new ATOM 579 N ARG B 16 5.240 8.058 0.669 1.00 0.00 N ATOM 580 CA ARG B 16 6.261 8.067 1.686 1.00 0.00 C ATOM 581 C ARG B 16 5.964 7.052 2.776 1.00 0.00 C ATOM 582 O ARG B 16 4.857 6.993 3.305 1.00 0.00 O ATOM 583 CB ARG B 16 6.377 9.474 2.274 1.00 0.00 C ATOM 584 CG ARG B 16 6.197 10.574 1.235 1.00 0.00 C ATOM 585 CD ARG B 16 6.616 11.937 1.765 1.00 0.00 C ATOM 586 NE ARG B 16 8.048 11.999 2.046 1.00 0.00 N ATOM 587 CZ ARG B 16 8.565 11.924 3.263 1.00 0.00 C ATOM 588 NH1 ARG B 16 7.759 11.829 4.313 1.00 0.00 N ATOM 589 NH2 ARG B 16 9.883 11.946 3.422 1.00 0.00 N ATOM 0 H ARG B 16 4.398 8.578 0.916 1.00 0.00 H new ATOM 0 HA ARG B 16 7.211 7.786 1.231 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.629 9.597 3.057 1.00 0.00 H new ATOM 0 HB3 ARG B 16 7.353 9.585 2.746 1.00 0.00 H new ATOM 0 HG2 ARG B 16 6.784 10.334 0.349 1.00 0.00 H new ATOM 0 HG3 ARG B 16 5.153 10.612 0.925 1.00 0.00 H new ATOM 0 HD2 ARG B 16 6.356 12.705 1.036 1.00 0.00 H new ATOM 0 HD3 ARG B 16 6.058 12.159 2.675 1.00 0.00 H new ATOM 0 HE ARG B 16 8.687 12.106 1.259 1.00 0.00 H new ATOM 0 HH11 ARG B 16 6.748 11.814 4.180 1.00 0.00 H new ATOM 0 HH12 ARG B 16 8.151 11.771 5.253 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.494 12.020 2.608 1.00 0.00 H new ATOM 0 HH22 ARG B 16 10.285 11.888 4.358 1.00 0.00 H new ATOM 603 N GLN B 17 6.951 6.240 3.094 1.00 0.00 N ATOM 604 CA GLN B 17 6.805 5.236 4.126 1.00 0.00 C ATOM 605 C GLN B 17 7.818 5.489 5.230 1.00 0.00 C ATOM 606 O GLN B 17 9.008 5.231 5.057 1.00 0.00 O ATOM 607 CB GLN B 17 6.985 3.831 3.540 1.00 0.00 C ATOM 608 CG GLN B 17 6.312 2.730 4.354 1.00 0.00 C ATOM 609 CD GLN B 17 7.090 2.330 5.598 1.00 0.00 C ATOM 610 OE1 GLN B 17 6.505 1.993 6.625 1.00 0.00 O ATOM 611 NE2 GLN B 17 8.413 2.359 5.516 1.00 0.00 N ATOM 0 H GLN B 17 7.869 6.257 2.649 1.00 0.00 H new ATOM 0 HA GLN B 17 5.801 5.300 4.545 1.00 0.00 H new ATOM 0 HB2 GLN B 17 6.584 3.817 2.527 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.050 3.613 3.464 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.318 3.065 4.650 1.00 0.00 H new ATOM 0 HG3 GLN B 17 6.178 1.852 3.722 1.00 0.00 H new ATOM 0 HE21 GLN B 17 8.864 2.644 4.647 1.00 0.00 H new ATOM 0 HE22 GLN B 17 8.980 2.096 6.322 1.00 0.00 H new ATOM 620 N LYS B 18 7.332 6.020 6.347 1.00 0.00 N ATOM 621 CA LYS B 18 8.167 6.310 7.510 1.00 0.00 C ATOM 622 C LYS B 18 9.352 7.213 7.162 1.00 0.00 C ATOM 623 O LYS B 18 10.507 6.787 7.204 1.00 0.00 O ATOM 624 CB LYS B 18 8.638 5.014 8.177 1.00 0.00 C ATOM 625 CG LYS B 18 7.519 4.274 8.899 1.00 0.00 C ATOM 626 CD LYS B 18 8.057 3.346 9.977 1.00 0.00 C ATOM 627 CE LYS B 18 6.947 2.509 10.601 1.00 0.00 C ATOM 628 NZ LYS B 18 5.918 3.346 11.276 1.00 0.00 N ATOM 0 H LYS B 18 6.349 6.262 6.473 1.00 0.00 H new ATOM 0 HA LYS B 18 7.550 6.859 8.221 1.00 0.00 H new ATOM 0 HB2 LYS B 18 9.070 4.359 7.420 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.431 5.246 8.888 1.00 0.00 H new ATOM 0 HG2 LYS B 18 6.837 4.996 9.348 1.00 0.00 H new ATOM 0 HG3 LYS B 18 6.941 3.696 8.178 1.00 0.00 H new ATOM 0 HD2 LYS B 18 8.812 2.688 9.548 1.00 0.00 H new ATOM 0 HD3 LYS B 18 8.550 3.934 10.752 1.00 0.00 H new ATOM 0 HE2 LYS B 18 6.471 1.906 9.827 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.380 1.817 11.323 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 5.241 2.731 11.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 6.379 3.976 11.963 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 5.414 3.916 10.567 1.00 0.00 H new ATOM 642 N LYS B 19 9.034 8.452 6.781 1.00 0.00 N ATOM 643 CA LYS B 19 10.032 9.469 6.437 1.00 0.00 C ATOM 644 C LYS B 19 10.803 9.140 5.157 1.00 0.00 C ATOM 645 O LYS B 19 11.892 9.670 4.941 1.00 0.00 O ATOM 646 CB LYS B 19 11.019 9.679 7.595 1.00 0.00 C ATOM 647 CG LYS B 19 11.470 11.124 7.769 1.00 0.00 C ATOM 648 CD LYS B 19 10.507 11.892 8.656 1.00 0.00 C ATOM 649 CE LYS B 19 10.297 13.317 8.176 1.00 0.00 C ATOM 650 NZ LYS B 19 8.868 13.721 8.290 1.00 0.00 N ATOM 0 H LYS B 19 8.072 8.781 6.702 1.00 0.00 H new ATOM 0 HA LYS B 19 9.477 10.389 6.256 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.555 9.340 8.521 1.00 0.00 H new ATOM 0 HB3 LYS B 19 11.896 9.053 7.430 1.00 0.00 H new ATOM 0 HG2 LYS B 19 12.469 11.147 8.205 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.537 11.608 6.794 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.548 11.374 8.682 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.889 11.907 9.677 1.00 0.00 H new ATOM 0 HE2 LYS B 19 10.917 13.996 8.762 1.00 0.00 H new ATOM 0 HE3 LYS B 19 10.621 13.405 7.139 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 8.756 14.699 7.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 8.281 13.087 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 8.568 13.659 9.284 1.00 0.00 H new ATOM 664 N GLN B 20 10.246 8.303 4.289 1.00 0.00 N ATOM 665 CA GLN B 20 10.932 7.962 3.053 1.00 0.00 C ATOM 666 C GLN B 20 9.979 8.089 1.885 1.00 0.00 C ATOM 667 O GLN B 20 9.000 7.356 1.798 1.00 0.00 O ATOM 668 CB GLN B 20 11.486 6.537 3.120 1.00 0.00 C ATOM 669 CG GLN B 20 12.654 6.380 4.079 1.00 0.00 C ATOM 670 CD GLN B 20 12.722 4.994 4.684 1.00 0.00 C ATOM 671 OE1 GLN B 20 13.349 4.089 4.135 1.00 0.00 O ATOM 672 NE2 GLN B 20 12.069 4.817 5.821 1.00 0.00 N ATOM 0 H GLN B 20 9.338 7.856 4.416 1.00 0.00 H new ATOM 0 HA GLN B 20 11.765 8.652 2.916 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.687 5.860 3.421 1.00 0.00 H new ATOM 0 HB3 GLN B 20 11.803 6.233 2.123 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.584 6.589 3.551 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.567 7.118 4.877 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.561 5.594 6.244 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.074 3.904 6.275 1.00 0.00 H new ATOM 681 N ASP B 21 10.279 9.002 0.984 1.00 0.00 N ATOM 682 CA ASP B 21 9.442 9.231 -0.184 1.00 0.00 C ATOM 683 C ASP B 21 9.820 8.318 -1.333 1.00 0.00 C ATOM 684 O ASP B 21 10.994 8.153 -1.668 1.00 0.00 O ATOM 685 CB ASP B 21 9.478 10.704 -0.611 1.00 0.00 C ATOM 686 CG ASP B 21 10.777 11.393 -0.245 1.00 0.00 C ATOM 687 OD1 ASP B 21 10.882 11.860 0.915 1.00 0.00 O ATOM 688 OD2 ASP B 21 11.680 11.465 -1.095 1.00 0.00 O ATOM 0 H ASP B 21 11.101 9.603 1.036 1.00 0.00 H new ATOM 0 HA ASP B 21 8.417 8.989 0.098 1.00 0.00 H new ATOM 0 HB2 ASP B 21 9.330 10.768 -1.689 1.00 0.00 H new ATOM 0 HB3 ASP B 21 8.648 11.233 -0.143 1.00 0.00 H new ATOM 693 N GLY B 22 8.807 7.693 -1.906 1.00 0.00 N ATOM 694 CA GLY B 22 9.017 6.794 -3.001 1.00 0.00 C ATOM 695 C GLY B 22 7.777 6.528 -3.810 1.00 0.00 C ATOM 696 O GLY B 22 6.903 7.382 -3.942 1.00 0.00 O ATOM 0 H GLY B 22 7.833 7.799 -1.623 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.786 7.205 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.399 5.849 -2.616 1.00 0.00 H new ATOM 700 N ALA B 23 7.689 5.312 -4.300 1.00 0.00 N ATOM 701 CA ALA B 23 6.598 4.891 -5.135 1.00 0.00 C ATOM 702 C ALA B 23 6.031 3.584 -4.614 1.00 0.00 C ATOM 703 O ALA B 23 6.777 2.708 -4.171 1.00 0.00 O ATOM 704 CB ALA B 23 7.093 4.733 -6.556 1.00 0.00 C ATOM 0 H ALA B 23 8.382 4.584 -4.126 1.00 0.00 H new ATOM 0 HA ALA B 23 5.806 5.639 -5.119 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.270 4.414 -7.195 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.481 5.686 -6.914 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.885 3.985 -6.584 1.00 0.00 H new ATOM 710 N LEU B 24 4.724 3.446 -4.677 1.00 0.00 N ATOM 711 CA LEU B 24 4.071 2.250 -4.189 1.00 0.00 C ATOM 712 C LEU B 24 3.716 1.368 -5.384 1.00 0.00 C ATOM 713 O LEU B 24 2.941 1.766 -6.254 1.00 0.00 O ATOM 714 CB LEU B 24 2.820 2.636 -3.396 1.00 0.00 C ATOM 715 CG LEU B 24 2.443 1.714 -2.228 1.00 0.00 C ATOM 716 CD1 LEU B 24 1.013 1.974 -1.789 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.632 0.251 -2.577 1.00 0.00 C ATOM 0 H LEU B 24 4.092 4.148 -5.062 1.00 0.00 H new ATOM 0 HA LEU B 24 4.733 1.696 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU B 24 2.960 3.644 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU B 24 1.977 2.677 -4.086 1.00 0.00 H new ATOM 0 HG LEU B 24 3.116 1.942 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.761 1.312 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.914 3.011 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.336 1.785 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.354 -0.366 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU B 24 2.002 -0.004 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.676 0.069 -2.831 1.00 0.00 H new ATOM 729 N TYR B 25 4.302 0.186 -5.424 1.00 0.00 N ATOM 730 CA TYR B 25 4.078 -0.750 -6.522 1.00 0.00 C ATOM 731 C TYR B 25 3.142 -1.885 -6.114 1.00 0.00 C ATOM 732 O TYR B 25 3.337 -2.526 -5.083 1.00 0.00 O ATOM 733 CB TYR B 25 5.409 -1.340 -6.998 1.00 0.00 C ATOM 734 CG TYR B 25 6.354 -0.337 -7.625 1.00 0.00 C ATOM 735 CD1 TYR B 25 7.176 0.463 -6.839 1.00 0.00 C ATOM 736 CD2 TYR B 25 6.434 -0.201 -9.005 1.00 0.00 C ATOM 737 CE1 TYR B 25 8.049 1.368 -7.411 1.00 0.00 C ATOM 738 CE2 TYR B 25 7.304 0.705 -9.584 1.00 0.00 C ATOM 739 CZ TYR B 25 8.110 1.485 -8.782 1.00 0.00 C ATOM 740 OH TYR B 25 8.981 2.383 -9.357 1.00 0.00 O ATOM 0 H TYR B 25 4.942 -0.155 -4.706 1.00 0.00 H new ATOM 0 HA TYR B 25 3.610 -0.192 -7.333 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.908 -1.809 -6.150 1.00 0.00 H new ATOM 0 HB3 TYR B 25 5.204 -2.128 -7.722 1.00 0.00 H new ATOM 0 HD1 TYR B 25 7.131 0.375 -5.763 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.807 -0.813 -9.636 1.00 0.00 H new ATOM 0 HE1 TYR B 25 8.681 1.981 -6.786 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.352 0.801 -10.659 1.00 0.00 H new ATOM 0 HH TYR B 25 8.899 2.339 -10.333 1.00 0.00 H new ATOM 750 N LEU B 26 2.122 -2.124 -6.927 1.00 0.00 N ATOM 751 CA LEU B 26 1.167 -3.194 -6.666 1.00 0.00 C ATOM 752 C LEU B 26 1.358 -4.337 -7.648 1.00 0.00 C ATOM 753 O LEU B 26 1.453 -4.101 -8.853 1.00 0.00 O ATOM 754 CB LEU B 26 -0.275 -2.699 -6.796 1.00 0.00 C ATOM 755 CG LEU B 26 -0.702 -1.615 -5.813 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.215 -1.495 -5.785 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.181 -1.917 -4.433 1.00 0.00 C ATOM 0 H LEU B 26 1.934 -1.590 -7.775 1.00 0.00 H new ATOM 0 HA LEU B 26 1.348 -3.535 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.418 -2.320 -7.808 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -0.943 -3.552 -6.678 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.280 -0.666 -6.144 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.505 -0.717 -5.079 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.578 -1.236 -6.780 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.650 -2.446 -5.477 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.496 -1.132 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.577 -2.875 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.908 -1.963 -4.457 1.00 0.00 H new ATOM 769 N MET B 27 1.421 -5.557 -7.130 1.00 0.00 N ATOM 770 CA MET B 27 1.550 -6.747 -7.963 1.00 0.00 C ATOM 771 C MET B 27 0.418 -7.706 -7.629 1.00 0.00 C ATOM 772 O MET B 27 -0.141 -7.651 -6.535 1.00 0.00 O ATOM 773 CB MET B 27 2.889 -7.460 -7.758 1.00 0.00 C ATOM 774 CG MET B 27 4.113 -6.599 -8.028 1.00 0.00 C ATOM 775 SD MET B 27 4.807 -5.871 -6.531 1.00 0.00 S ATOM 776 CE MET B 27 6.427 -5.392 -7.125 1.00 0.00 C ATOM 0 H MET B 27 1.385 -5.750 -6.129 1.00 0.00 H new ATOM 0 HA MET B 27 1.503 -6.431 -9.005 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.938 -7.826 -6.732 1.00 0.00 H new ATOM 0 HB3 MET B 27 2.924 -8.333 -8.410 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.875 -7.205 -8.518 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.844 -5.802 -8.722 1.00 0.00 H new ATOM 0 HE1 MET B 27 7.194 -5.890 -6.532 1.00 0.00 H new ATOM 0 HE2 MET B 27 6.531 -5.682 -8.171 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.543 -4.312 -7.034 1.00 0.00 H new ATOM 786 N ALA B 28 0.107 -8.581 -8.561 1.00 0.00 N ATOM 787 CA ALA B 28 -0.975 -9.554 -8.414 1.00 0.00 C ATOM 788 C ALA B 28 -0.933 -10.338 -7.106 1.00 0.00 C ATOM 789 O ALA B 28 -1.947 -10.464 -6.419 1.00 0.00 O ATOM 790 CB ALA B 28 -0.943 -10.527 -9.575 1.00 0.00 C ATOM 0 H ALA B 28 0.597 -8.645 -9.453 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.900 -8.978 -8.403 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.750 -11.252 -9.465 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.070 -9.982 -10.510 1.00 0.00 H new ATOM 0 HB3 ALA B 28 0.014 -11.048 -9.586 1.00 0.00 H new ATOM 796 N GLU B 29 0.233 -10.860 -6.756 1.00 0.00 N ATOM 797 CA GLU B 29 0.352 -11.674 -5.554 1.00 0.00 C ATOM 798 C GLU B 29 0.980 -10.921 -4.381 1.00 0.00 C ATOM 799 O GLU B 29 0.983 -11.423 -3.247 1.00 0.00 O ATOM 800 CB GLU B 29 1.181 -12.933 -5.852 1.00 0.00 C ATOM 801 CG GLU B 29 0.910 -13.560 -7.219 1.00 0.00 C ATOM 802 CD GLU B 29 -0.509 -14.080 -7.376 1.00 0.00 C ATOM 803 OE1 GLU B 29 -0.787 -15.227 -6.964 1.00 0.00 O ATOM 804 OE2 GLU B 29 -1.361 -13.347 -7.913 1.00 0.00 O ATOM 0 H GLU B 29 1.100 -10.737 -7.279 1.00 0.00 H new ATOM 0 HA GLU B 29 -0.662 -11.945 -5.260 1.00 0.00 H new ATOM 0 HB2 GLU B 29 2.239 -12.680 -5.785 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.981 -13.676 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.105 -12.820 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.609 -14.381 -7.379 1.00 0.00 H new ATOM 811 N ARG B 30 1.466 -9.707 -4.608 1.00 0.00 N ATOM 812 CA ARG B 30 2.122 -8.985 -3.519 1.00 0.00 C ATOM 813 C ARG B 30 2.160 -7.481 -3.725 1.00 0.00 C ATOM 814 O ARG B 30 1.917 -6.977 -4.812 1.00 0.00 O ATOM 815 CB ARG B 30 3.560 -9.493 -3.347 1.00 0.00 C ATOM 816 CG ARG B 30 4.458 -9.195 -4.540 1.00 0.00 C ATOM 817 CD ARG B 30 5.930 -9.246 -4.162 1.00 0.00 C ATOM 818 NE ARG B 30 6.797 -9.092 -5.328 1.00 0.00 N ATOM 819 CZ ARG B 30 8.070 -8.704 -5.276 1.00 0.00 C ATOM 820 NH1 ARG B 30 8.634 -8.397 -4.114 1.00 0.00 N ATOM 821 NH2 ARG B 30 8.778 -8.616 -6.394 1.00 0.00 N ATOM 0 H ARG B 30 1.424 -9.214 -5.500 1.00 0.00 H new ATOM 0 HA ARG B 30 1.526 -9.177 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.992 -9.040 -2.455 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.539 -10.570 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.261 -9.916 -5.333 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.218 -8.209 -4.939 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.147 -8.458 -3.441 1.00 0.00 H new ATOM 0 HD3 ARG B 30 6.146 -10.195 -3.671 1.00 0.00 H new ATOM 0 HE ARG B 30 6.400 -9.296 -6.245 1.00 0.00 H new ATOM 0 HH11 ARG B 30 8.092 -8.457 -3.252 1.00 0.00 H new ATOM 0 HH12 ARG B 30 9.610 -8.101 -4.083 1.00 0.00 H new ATOM 0 HH21 ARG B 30 8.347 -8.845 -7.290 1.00 0.00 H new ATOM 0 HH22 ARG B 30 9.753 -8.319 -6.358 1.00 0.00 H new ATOM 835 N ILE B 31 2.468 -6.782 -2.647 1.00 0.00 N ATOM 836 CA ILE B 31 2.597 -5.339 -2.664 1.00 0.00 C ATOM 837 C ILE B 31 4.035 -4.989 -2.299 1.00 0.00 C ATOM 838 O ILE B 31 4.625 -5.622 -1.418 1.00 0.00 O ATOM 839 CB ILE B 31 1.606 -4.663 -1.680 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.786 -3.142 -1.682 1.00 0.00 C ATOM 841 CG2 ILE B 31 1.775 -5.217 -0.272 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.774 -2.411 -0.824 1.00 0.00 C ATOM 0 H ILE B 31 2.636 -7.202 -1.733 1.00 0.00 H new ATOM 0 HA ILE B 31 2.355 -4.967 -3.660 1.00 0.00 H new ATOM 0 HB ILE B 31 0.594 -4.889 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.789 -2.903 -1.329 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.713 -2.777 -2.706 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.069 -4.727 0.399 1.00 0.00 H new ATOM 0 HG22 ILE B 31 1.585 -6.290 -0.278 1.00 0.00 H new ATOM 0 HG23 ILE B 31 2.792 -5.031 0.073 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.962 -1.339 -0.873 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.231 -2.620 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.862 -2.748 0.209 1.00 0.00 H new ATOM 854 N ALA B 32 4.616 -4.024 -2.988 1.00 0.00 N ATOM 855 CA ALA B 32 5.987 -3.639 -2.716 1.00 0.00 C ATOM 856 C ALA B 32 6.166 -2.133 -2.781 1.00 0.00 C ATOM 857 O ALA B 32 5.344 -1.420 -3.352 1.00 0.00 O ATOM 858 CB ALA B 32 6.928 -4.329 -3.688 1.00 0.00 C ATOM 0 H ALA B 32 4.163 -3.496 -3.734 1.00 0.00 H new ATOM 0 HA ALA B 32 6.230 -3.956 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.955 -4.032 -3.474 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.833 -5.410 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.673 -4.041 -4.708 1.00 0.00 H new ATOM 864 N TRP B 33 7.247 -1.653 -2.196 1.00 0.00 N ATOM 865 CA TRP B 33 7.527 -0.233 -2.186 1.00 0.00 C ATOM 866 C TRP B 33 9.004 0.029 -2.480 1.00 0.00 C ATOM 867 O TRP B 33 9.877 -0.733 -2.059 1.00 0.00 O ATOM 868 CB TRP B 33 7.114 0.373 -0.845 1.00 0.00 C ATOM 869 CG TRP B 33 7.217 1.859 -0.830 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.252 2.755 -1.180 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.362 2.622 -0.463 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.734 4.030 -1.056 1.00 0.00 N ATOM 873 CE2 TRP B 33 8.027 3.972 -0.617 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.640 2.292 -0.020 1.00 0.00 C ATOM 875 CZ2 TRP B 33 8.922 4.991 -0.348 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.530 3.306 0.250 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.168 4.646 0.084 1.00 0.00 C ATOM 0 H TRP B 33 7.944 -2.227 -1.722 1.00 0.00 H new ATOM 0 HA TRP B 33 6.944 0.246 -2.973 1.00 0.00 H new ATOM 0 HB2 TRP B 33 6.088 0.082 -0.620 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.743 -0.039 -0.056 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.255 2.497 -1.507 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.214 4.884 -1.258 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.928 1.259 0.109 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.643 6.026 -0.476 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.524 3.063 0.596 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.888 5.421 0.302 1.00 0.00 H new ATOM 888 N ALA B 34 9.260 1.111 -3.206 1.00 0.00 N ATOM 889 CA ALA B 34 10.602 1.510 -3.610 1.00 0.00 C ATOM 890 C ALA B 34 10.693 3.029 -3.645 1.00 0.00 C ATOM 891 O ALA B 34 9.769 3.674 -4.126 1.00 0.00 O ATOM 892 CB ALA B 34 10.949 0.922 -4.970 1.00 0.00 C ATOM 0 H ALA B 34 8.531 1.744 -3.535 1.00 0.00 H new ATOM 0 HA ALA B 34 11.320 1.127 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.955 1.231 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.905 -0.166 -4.918 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.236 1.279 -5.713 1.00 0.00 H new ATOM 898 N PRO B 35 11.768 3.630 -3.100 1.00 0.00 N ATOM 899 CA PRO B 35 11.930 5.091 -3.092 1.00 0.00 C ATOM 900 C PRO B 35 11.774 5.709 -4.487 1.00 0.00 C ATOM 901 O PRO B 35 11.969 5.037 -5.504 1.00 0.00 O ATOM 902 CB PRO B 35 13.339 5.310 -2.558 1.00 0.00 C ATOM 903 CG PRO B 35 13.680 4.059 -1.818 1.00 0.00 C ATOM 904 CD PRO B 35 12.910 2.943 -2.474 1.00 0.00 C ATOM 0 HA PRO B 35 11.163 5.572 -2.485 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.043 5.491 -3.370 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.380 6.179 -1.901 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.752 3.865 -1.859 1.00 0.00 H new ATOM 0 HG3 PRO B 35 13.412 4.147 -0.765 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.516 2.418 -3.213 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.581 2.201 -1.746 1.00 0.00 H new ATOM 992 N PHE B 41 13.038 -2.404 -4.704 1.00 0.00 N ATOM 993 CA PHE B 41 11.997 -2.462 -3.690 1.00 0.00 C ATOM 994 C PHE B 41 12.603 -2.759 -2.326 1.00 0.00 C ATOM 995 O PHE B 41 13.392 -3.694 -2.179 1.00 0.00 O ATOM 996 CB PHE B 41 10.964 -3.535 -4.043 1.00 0.00 C ATOM 997 CG PHE B 41 10.497 -3.479 -5.470 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.616 -2.496 -5.887 1.00 0.00 C ATOM 999 CD2 PHE B 41 10.942 -4.411 -6.394 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.187 -2.442 -7.199 1.00 0.00 C ATOM 1001 CE2 PHE B 41 10.517 -4.362 -7.709 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.639 -3.375 -8.112 1.00 0.00 C ATOM 0 HA PHE B 41 11.500 -1.493 -3.654 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.394 -4.518 -3.849 1.00 0.00 H new ATOM 0 HB3 PHE B 41 10.103 -3.428 -3.384 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.260 -1.763 -5.178 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.629 -5.185 -6.083 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.498 -1.671 -7.511 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.871 -5.094 -8.420 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.307 -3.333 -9.139 1.00 0.00 H new ATOM 1012 N THR B 42 12.250 -1.952 -1.345 1.00 0.00 N ATOM 1013 CA THR B 42 12.745 -2.126 0.007 1.00 0.00 C ATOM 1014 C THR B 42 11.736 -2.894 0.846 1.00 0.00 C ATOM 1015 O THR B 42 12.093 -3.610 1.780 1.00 0.00 O ATOM 1016 CB THR B 42 13.008 -0.761 0.663 1.00 0.00 C ATOM 1017 OG1 THR B 42 12.098 0.209 0.128 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.435 -0.306 0.419 1.00 0.00 C ATOM 0 H THR B 42 11.616 -1.162 -1.461 1.00 0.00 H new ATOM 0 HA THR B 42 13.677 -2.688 -0.045 1.00 0.00 H new ATOM 0 HB THR B 42 12.858 -0.860 1.738 1.00 0.00 H new ATOM 0 HG1 THR B 42 12.264 1.079 0.547 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.594 0.662 0.894 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.127 -1.035 0.841 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.610 -0.218 -0.653 1.00 0.00 H new ATOM 1026 N ILE B 43 10.474 -2.745 0.483 1.00 0.00 N ATOM 1027 CA ILE B 43 9.386 -3.392 1.191 1.00 0.00 C ATOM 1028 C ILE B 43 8.610 -4.314 0.252 1.00 0.00 C ATOM 1029 O ILE B 43 8.338 -3.953 -0.890 1.00 0.00 O ATOM 1030 CB ILE B 43 8.451 -2.323 1.802 1.00 0.00 C ATOM 1031 CG1 ILE B 43 9.068 -1.755 3.082 1.00 0.00 C ATOM 1032 CG2 ILE B 43 7.059 -2.880 2.079 1.00 0.00 C ATOM 1033 CD1 ILE B 43 8.365 -0.520 3.597 1.00 0.00 C ATOM 0 H ILE B 43 10.176 -2.174 -0.308 1.00 0.00 H new ATOM 0 HA ILE B 43 9.799 -4.000 1.996 1.00 0.00 H new ATOM 0 HB ILE B 43 8.340 -1.520 1.073 1.00 0.00 H new ATOM 0 HG12 ILE B 43 9.050 -2.523 3.856 1.00 0.00 H new ATOM 0 HG13 ILE B 43 10.115 -1.516 2.895 1.00 0.00 H new ATOM 0 HG21 ILE B 43 6.433 -2.098 2.508 1.00 0.00 H new ATOM 0 HG22 ILE B 43 6.615 -3.230 1.147 1.00 0.00 H new ATOM 0 HG23 ILE B 43 7.133 -3.711 2.780 1.00 0.00 H new ATOM 0 HD11 ILE B 43 8.857 -0.174 4.506 1.00 0.00 H new ATOM 0 HD12 ILE B 43 8.406 0.264 2.841 1.00 0.00 H new ATOM 0 HD13 ILE B 43 7.324 -0.759 3.816 1.00 0.00 H new ATOM 1045 N SER B 44 8.293 -5.510 0.732 1.00 0.00 N ATOM 1046 CA SER B 44 7.546 -6.492 -0.043 1.00 0.00 C ATOM 1047 C SER B 44 6.675 -7.323 0.894 1.00 0.00 C ATOM 1048 O SER B 44 7.182 -7.911 1.848 1.00 0.00 O ATOM 1049 CB SER B 44 8.510 -7.399 -0.816 1.00 0.00 C ATOM 1050 OG SER B 44 7.818 -8.426 -1.510 1.00 0.00 O ATOM 0 H SER B 44 8.546 -5.826 1.668 1.00 0.00 H new ATOM 0 HA SER B 44 6.908 -5.975 -0.760 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.083 -6.802 -1.526 1.00 0.00 H new ATOM 0 HB3 SER B 44 9.225 -7.844 -0.124 1.00 0.00 H new ATOM 0 HG SER B 44 8.392 -9.217 -1.581 1.00 0.00 H new ATOM 1056 N HIS B 45 5.375 -7.384 0.624 1.00 0.00 N ATOM 1057 CA HIS B 45 4.460 -8.133 1.467 1.00 0.00 C ATOM 1058 C HIS B 45 3.442 -8.848 0.606 1.00 0.00 C ATOM 1059 O HIS B 45 2.802 -8.235 -0.249 1.00 0.00 O ATOM 1060 CB HIS B 45 3.736 -7.203 2.456 1.00 0.00 C ATOM 1061 CG HIS B 45 4.642 -6.502 3.427 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.471 -7.155 4.312 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.849 -5.173 3.632 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.140 -6.229 5.011 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.801 -5.011 4.636 1.00 0.00 N ATOM 0 H HIS B 45 4.935 -6.923 -0.172 1.00 0.00 H new ATOM 0 HA HIS B 45 5.037 -8.861 2.037 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.180 -6.454 1.891 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.006 -7.787 3.016 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.355 -4.372 3.102 1.00 0.00 H new ATOM 0 HE1 HIS B 45 6.863 -6.451 5.782 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.162 -4.131 5.005 1.00 0.00 H new ATOM 1073 N MET B 46 3.315 -10.144 0.799 1.00 0.00 N ATOM 1074 CA MET B 46 2.350 -10.910 0.045 1.00 0.00 C ATOM 1075 C MET B 46 0.983 -10.704 0.664 1.00 0.00 C ATOM 1076 O MET B 46 0.860 -10.597 1.883 1.00 0.00 O ATOM 1077 CB MET B 46 2.714 -12.394 0.024 1.00 0.00 C ATOM 1078 CG MET B 46 3.603 -12.787 -1.144 1.00 0.00 C ATOM 1079 SD MET B 46 3.661 -14.570 -1.414 1.00 0.00 S ATOM 1080 CE MET B 46 2.011 -14.877 -2.043 1.00 0.00 C ATOM 0 H MET B 46 3.864 -10.685 1.467 1.00 0.00 H new ATOM 0 HA MET B 46 2.346 -10.566 -0.989 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.219 -12.649 0.956 1.00 0.00 H new ATOM 0 HB3 MET B 46 1.798 -12.984 -0.013 1.00 0.00 H new ATOM 0 HG2 MET B 46 3.242 -12.299 -2.049 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.613 -12.419 -0.965 1.00 0.00 H new ATOM 0 HE1 MET B 46 1.997 -15.826 -2.579 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.307 -14.919 -1.212 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.725 -14.073 -2.721 1.00 0.00 H new ATOM 1090 N TYR B 47 -0.036 -10.618 -0.172 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.409 -10.408 0.311 1.00 0.00 C ATOM 1092 C TYR B 47 -1.871 -11.498 1.284 1.00 0.00 C ATOM 1093 O TYR B 47 -2.894 -11.345 1.944 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.385 -10.304 -0.858 1.00 0.00 C ATOM 1095 CG TYR B 47 -2.039 -9.199 -1.821 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.784 -7.914 -1.366 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -1.957 -9.440 -3.181 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.458 -6.903 -2.240 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.634 -8.431 -4.061 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.385 -7.164 -3.587 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.054 -6.158 -4.464 1.00 0.00 O ATOM 0 H TYR B 47 0.050 -10.689 -1.186 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.400 -9.467 0.861 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.402 -11.253 -1.394 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.390 -10.138 -0.470 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.842 -7.704 -0.308 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.149 -10.434 -3.558 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.260 -5.908 -1.869 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.576 -8.634 -5.120 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.711 -6.548 -5.295 1.00 0.00 H new ATOM 1111 N ALA B 48 -1.130 -12.596 1.368 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.480 -13.674 2.283 1.00 0.00 C ATOM 1113 C ALA B 48 -0.967 -13.368 3.682 1.00 0.00 C ATOM 1114 O ALA B 48 -1.460 -13.912 4.670 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.915 -14.998 1.803 1.00 0.00 C ATOM 0 H ALA B 48 -0.288 -12.763 0.817 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.567 -13.753 2.311 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -1.190 -15.786 2.503 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.319 -15.230 0.818 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.171 -14.930 1.742 1.00 0.00 H new ATOM 1121 N ASP B 49 0.032 -12.501 3.757 1.00 0.00 N ATOM 1122 CA ASP B 49 0.621 -12.121 5.032 1.00 0.00 C ATOM 1123 C ASP B 49 -0.023 -10.841 5.531 1.00 0.00 C ATOM 1124 O ASP B 49 0.238 -10.389 6.648 1.00 0.00 O ATOM 1125 CB ASP B 49 2.135 -11.938 4.902 1.00 0.00 C ATOM 1126 CG ASP B 49 2.786 -13.030 4.075 1.00 0.00 C ATOM 1127 OD1 ASP B 49 2.615 -14.224 4.415 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.457 -12.692 3.077 1.00 0.00 O ATOM 0 H ASP B 49 0.453 -12.046 2.947 1.00 0.00 H new ATOM 0 HA ASP B 49 0.439 -12.920 5.751 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.342 -10.970 4.446 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.582 -11.925 5.896 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.864 -10.262 4.690 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.589 -9.057 5.037 1.00 0.00 C ATOM 1135 C ILE B 50 -2.929 -9.463 5.630 1.00 0.00 C ATOM 1136 O ILE B 50 -3.786 -10.018 4.944 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.795 -8.149 3.815 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.440 -7.676 3.282 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.680 -6.959 4.167 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -0.509 -7.039 1.914 1.00 0.00 C ATOM 0 H ILE B 50 -1.061 -10.614 3.753 1.00 0.00 H new ATOM 0 HA ILE B 50 -1.010 -8.486 5.763 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.299 -8.722 3.036 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.014 -6.960 3.985 1.00 0.00 H new ATOM 0 HG13 ILE B 50 0.241 -8.526 3.242 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.812 -6.330 3.286 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.652 -7.316 4.506 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -2.210 -6.378 4.960 1.00 0.00 H new ATOM 0 HD11 ILE B 50 0.490 -6.730 1.606 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -0.904 -7.759 1.197 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -1.163 -6.168 1.951 1.00 0.00 H new ATOM 1152 N LYS B 51 -3.090 -9.197 6.908 1.00 0.00 N ATOM 1153 CA LYS B 51 -4.289 -9.583 7.628 1.00 0.00 C ATOM 1154 C LYS B 51 -5.423 -8.579 7.459 1.00 0.00 C ATOM 1155 O LYS B 51 -6.560 -8.970 7.212 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.927 -9.759 9.104 1.00 0.00 C ATOM 1157 CG LYS B 51 -5.106 -9.846 10.049 1.00 0.00 C ATOM 1158 CD LYS B 51 -4.708 -9.385 11.438 1.00 0.00 C ATOM 1159 CE LYS B 51 -3.794 -10.387 12.129 1.00 0.00 C ATOM 1160 NZ LYS B 51 -2.579 -9.733 12.697 1.00 0.00 N ATOM 0 H LYS B 51 -2.398 -8.709 7.477 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.658 -10.521 7.214 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -3.329 -10.664 9.210 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.297 -8.923 9.410 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -5.925 -9.231 9.676 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -5.471 -10.872 10.091 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -4.204 -8.421 11.370 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -5.603 -9.235 12.041 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -4.342 -10.889 12.926 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -3.493 -11.155 11.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -1.877 -10.460 12.945 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -2.172 -9.085 11.993 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -2.839 -9.198 13.550 1.00 0.00 H new ATOM 1174 N CYS B 52 -5.118 -7.296 7.577 1.00 0.00 N ATOM 1175 CA CYS B 52 -6.147 -6.262 7.464 1.00 0.00 C ATOM 1176 C CYS B 52 -5.622 -5.015 6.761 1.00 0.00 C ATOM 1177 O CYS B 52 -4.415 -4.856 6.594 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.649 -5.882 8.861 1.00 0.00 C ATOM 1179 SG CYS B 52 -7.535 -7.201 9.724 1.00 0.00 S ATOM 0 H CYS B 52 -4.177 -6.943 7.749 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.963 -6.669 6.866 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -5.797 -5.576 9.468 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.306 -5.017 8.774 1.00 0.00 H new ATOM 0 HG CYS B 52 -8.635 -7.474 9.087 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.529 -4.124 6.351 1.00 0.00 N ATOM 1186 CA GLN B 53 -6.134 -2.890 5.700 1.00 0.00 C ATOM 1187 C GLN B 53 -6.967 -1.741 6.217 1.00 0.00 C ATOM 1188 O GLN B 53 -8.171 -1.881 6.443 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.266 -2.972 4.176 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.652 -3.336 3.667 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.738 -3.267 2.152 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -7.351 -4.201 1.458 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.257 -2.168 1.623 1.00 0.00 N ATOM 0 H GLN B 53 -7.536 -4.241 6.462 1.00 0.00 H new ATOM 0 HA GLN B 53 -5.083 -2.724 5.935 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.980 -2.010 3.750 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.554 -3.709 3.804 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.908 -4.342 3.999 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.387 -2.660 4.103 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.570 -1.409 2.229 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.344 -2.081 0.610 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.312 -0.626 6.456 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.992 0.559 6.909 1.00 0.00 C ATOM 1204 C LYS B 54 -6.737 1.669 5.921 1.00 0.00 C ATOM 1205 O LYS B 54 -5.825 1.573 5.096 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.477 1.068 8.245 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.911 0.066 9.217 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.625 0.798 10.517 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.864 -0.045 11.747 1.00 0.00 C ATOM 1210 NZ LYS B 54 -6.192 0.794 12.932 1.00 0.00 N ATOM 0 H LYS B 54 -5.304 -0.519 6.342 1.00 0.00 H new ATOM 0 HA LYS B 54 -8.045 0.293 7.007 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.704 1.810 8.043 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.296 1.588 8.742 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.617 -0.747 9.383 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.999 -0.380 8.820 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.589 1.137 10.514 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -6.251 1.689 10.569 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.680 -0.743 11.558 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.977 -0.642 11.958 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.514 0.184 13.711 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.345 1.319 13.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -6.946 1.466 12.684 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.495 2.740 6.039 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.289 3.897 5.159 1.00 0.00 C ATOM 1226 C ILE B 55 -7.454 5.230 5.901 1.00 0.00 C ATOM 1227 O ILE B 55 -8.507 5.509 6.475 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.204 3.872 3.917 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.670 3.742 4.296 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -7.813 2.733 2.990 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.547 3.479 3.099 1.00 0.00 C ATOM 0 H ILE B 55 -8.248 2.844 6.719 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.257 3.818 4.818 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.071 4.823 3.401 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.787 2.931 5.015 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.998 4.656 4.791 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.469 2.731 2.120 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -6.781 2.866 2.666 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -7.908 1.785 3.519 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.585 3.394 3.420 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.453 4.302 2.391 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.238 2.550 2.619 1.00 0.00 H new ATOM 1243 N SER B 56 -6.377 6.027 5.932 1.00 0.00 N ATOM 1244 CA SER B 56 -6.411 7.339 6.575 1.00 0.00 C ATOM 1245 C SER B 56 -7.014 8.368 5.632 1.00 0.00 C ATOM 1246 O SER B 56 -6.504 8.570 4.520 1.00 0.00 O ATOM 1247 CB SER B 56 -5.015 7.787 6.986 1.00 0.00 C ATOM 1248 OG SER B 56 -4.705 7.359 8.298 1.00 0.00 O ATOM 0 H SER B 56 -5.476 5.783 5.520 1.00 0.00 H new ATOM 0 HA SER B 56 -7.027 7.256 7.470 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.281 7.386 6.287 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.948 8.873 6.930 1.00 0.00 H new ATOM 0 HG SER B 56 -4.734 6.380 8.338 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.062 9.065 6.112 1.00 0.00 N ATOM 1255 CA PRO B 57 -8.821 10.061 5.335 1.00 0.00 C ATOM 1256 C PRO B 57 -8.031 11.320 4.973 1.00 0.00 C ATOM 1257 O PRO B 57 -6.922 11.542 5.466 1.00 0.00 O ATOM 1258 CB PRO B 57 -9.945 10.466 6.288 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.396 10.203 7.644 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.567 8.963 7.495 1.00 0.00 C ATOM 0 HA PRO B 57 -9.130 9.631 4.382 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.211 11.516 6.164 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -10.849 9.884 6.106 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -8.793 11.041 7.995 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.195 10.058 8.372 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.754 8.932 8.220 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.160 8.061 7.642 1.00 0.00 H new ATOM 1268 N GLU B 58 -8.628 12.147 4.117 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.028 13.413 3.725 1.00 0.00 C ATOM 1270 C GLU B 58 -8.432 14.459 4.758 1.00 0.00 C ATOM 1271 O GLU B 58 -9.616 14.758 4.912 1.00 0.00 O ATOM 1272 CB GLU B 58 -8.503 13.827 2.322 1.00 0.00 C ATOM 1273 CG GLU B 58 -7.417 14.459 1.455 1.00 0.00 C ATOM 1274 CD GLU B 58 -7.618 14.206 -0.034 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -8.653 14.639 -0.586 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -6.743 13.566 -0.668 1.00 0.00 O ATOM 0 H GLU B 58 -9.531 11.958 3.682 1.00 0.00 H new ATOM 0 HA GLU B 58 -6.943 13.319 3.687 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -8.896 12.949 1.810 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.328 14.532 2.423 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -7.396 15.534 1.635 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -6.446 14.067 1.756 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.460 14.989 5.482 1.00 0.00 N ATOM 1284 CA GLY B 59 -7.754 15.975 6.504 1.00 0.00 C ATOM 1285 C GLY B 59 -6.565 16.228 7.401 1.00 0.00 C ATOM 1286 O GLY B 59 -6.323 17.358 7.821 1.00 0.00 O ATOM 0 H GLY B 59 -6.472 14.756 5.382 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -8.057 16.909 6.031 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.597 15.634 7.106 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.827 15.168 7.715 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.635 15.294 8.541 1.00 0.00 C ATOM 1292 C LYS B 60 -3.524 15.929 7.719 1.00 0.00 C ATOM 1293 O LYS B 60 -3.724 16.264 6.552 1.00 0.00 O ATOM 1294 CB LYS B 60 -4.176 13.925 9.067 1.00 0.00 C ATOM 1295 CG LYS B 60 -4.782 13.533 10.409 1.00 0.00 C ATOM 1296 CD LYS B 60 -3.829 13.804 11.574 1.00 0.00 C ATOM 1297 CE LYS B 60 -2.574 12.944 11.496 1.00 0.00 C ATOM 1298 NZ LYS B 60 -1.965 12.710 12.836 1.00 0.00 N ATOM 0 H LYS B 60 -6.033 14.217 7.411 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.871 15.922 9.400 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -4.430 13.162 8.331 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.090 13.930 9.160 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.708 14.087 10.563 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -5.042 12.475 10.393 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.548 14.857 11.575 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -4.343 13.611 12.516 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -2.821 11.986 11.039 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -1.844 13.428 10.847 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -1.114 12.120 12.733 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -1.704 13.622 13.263 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -2.651 12.224 13.449 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.348 16.071 8.312 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.213 16.661 7.615 1.00 0.00 C ATOM 1314 C ALA B 61 -0.742 15.756 6.478 1.00 0.00 C ATOM 1315 O ALA B 61 0.096 16.146 5.669 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.076 16.932 8.589 1.00 0.00 C ATOM 0 H ALA B 61 -2.154 15.787 9.272 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.533 17.609 7.182 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.765 17.373 8.053 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.416 17.622 9.362 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.238 15.996 9.051 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.286 14.541 6.433 1.00 0.00 N ATOM 1323 CA LYS B 62 -0.936 13.574 5.408 1.00 0.00 C ATOM 1324 C LYS B 62 -2.004 12.479 5.309 1.00 0.00 C ATOM 1325 O LYS B 62 -2.688 12.173 6.291 1.00 0.00 O ATOM 1326 CB LYS B 62 0.442 12.966 5.696 1.00 0.00 C ATOM 1327 CG LYS B 62 0.804 12.883 7.175 1.00 0.00 C ATOM 1328 CD LYS B 62 2.228 12.386 7.369 1.00 0.00 C ATOM 1329 CE LYS B 62 2.572 12.225 8.839 1.00 0.00 C ATOM 1330 NZ LYS B 62 3.960 11.730 9.035 1.00 0.00 N ATOM 0 H LYS B 62 -1.977 14.206 7.104 1.00 0.00 H new ATOM 0 HA LYS B 62 -0.891 14.089 4.448 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.478 11.963 5.270 1.00 0.00 H new ATOM 0 HB3 LYS B 62 1.200 13.558 5.183 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.694 13.865 7.634 1.00 0.00 H new ATOM 0 HG3 LYS B 62 0.111 12.214 7.684 1.00 0.00 H new ATOM 0 HD2 LYS B 62 2.352 11.430 6.860 1.00 0.00 H new ATOM 0 HD3 LYS B 62 2.924 13.086 6.907 1.00 0.00 H new ATOM 0 HE2 LYS B 62 2.454 13.183 9.346 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.871 11.531 9.302 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 4.154 11.634 10.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 4.067 10.804 8.573 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 4.632 12.405 8.617 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.147 11.915 4.110 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.122 10.855 3.839 1.00 0.00 C ATOM 1346 C ILE B 63 -2.401 9.513 3.832 1.00 0.00 C ATOM 1347 O ILE B 63 -1.262 9.438 3.372 1.00 0.00 O ATOM 1348 CB ILE B 63 -3.825 11.088 2.478 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.689 12.352 2.529 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.671 9.886 2.082 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -3.917 13.643 2.328 1.00 0.00 C ATOM 0 H ILE B 63 -1.590 12.179 3.297 1.00 0.00 H new ATOM 0 HA ILE B 63 -3.885 10.863 4.617 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.052 11.221 1.722 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.462 12.281 1.764 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.197 12.392 3.492 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.152 10.079 1.123 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.035 9.005 1.998 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.433 9.712 2.841 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.603 14.489 2.379 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.162 13.741 3.108 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.431 13.628 1.353 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.040 8.439 4.311 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.328 7.154 4.377 1.00 0.00 C ATOM 1365 C GLN B 64 -3.182 5.932 4.044 1.00 0.00 C ATOM 1366 O GLN B 64 -4.411 5.972 4.038 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.727 6.918 5.773 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.556 7.803 6.159 1.00 0.00 C ATOM 1369 CD GLN B 64 -0.974 9.179 6.615 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -0.228 10.133 6.462 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -2.165 9.293 7.190 1.00 0.00 N ATOM 0 H GLN B 64 -4.004 8.427 4.645 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.556 7.248 3.614 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.516 7.053 6.513 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.406 5.878 5.836 1.00 0.00 H new ATOM 0 HG2 GLN B 64 0.009 7.319 6.956 1.00 0.00 H new ATOM 0 HG3 GLN B 64 0.115 7.899 5.306 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.759 8.471 7.299 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.486 10.202 7.522 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.464 4.845 3.773 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.023 3.525 3.496 1.00 0.00 C ATOM 1382 C LEU B 65 -2.157 2.521 4.256 1.00 0.00 C ATOM 1383 O LEU B 65 -0.967 2.431 3.985 1.00 0.00 O ATOM 1384 CB LEU B 65 -2.947 3.197 2.013 1.00 0.00 C ATOM 1385 CG LEU B 65 -3.943 2.148 1.525 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.209 2.797 1.037 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.312 1.292 0.449 1.00 0.00 C ATOM 0 H LEU B 65 -1.445 4.859 3.739 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.070 3.492 3.798 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.104 4.115 1.446 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -1.939 2.851 1.786 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.209 1.502 2.362 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -5.903 2.029 0.695 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.665 3.362 1.850 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -4.978 3.471 0.212 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.031 0.547 0.108 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.016 1.922 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.433 0.789 0.853 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.709 1.772 5.198 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.871 0.857 5.965 1.00 0.00 C ATOM 1401 C GLN B 66 -2.392 -0.562 5.954 1.00 0.00 C ATOM 1402 O GLN B 66 -3.597 -0.808 5.861 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.687 1.336 7.411 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.743 0.837 8.378 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.263 0.831 9.816 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.660 -0.135 10.268 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.547 1.901 10.542 1.00 0.00 N ATOM 0 H GLN B 66 -3.698 1.775 5.446 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.901 0.856 5.468 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.707 1.015 7.765 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.688 2.426 7.422 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.630 1.466 8.298 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -3.042 -0.172 8.095 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -3.051 2.682 10.123 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -2.261 1.944 11.520 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.458 -1.487 6.060 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.769 -2.897 6.071 1.00 0.00 C ATOM 1418 C LEU B 67 -1.343 -3.524 7.387 1.00 0.00 C ATOM 1419 O LEU B 67 -0.182 -3.433 7.786 1.00 0.00 O ATOM 1420 CB LEU B 67 -1.063 -3.596 4.912 1.00 0.00 C ATOM 1421 CG LEU B 67 -1.261 -2.934 3.554 1.00 0.00 C ATOM 1422 CD1 LEU B 67 -0.247 -3.456 2.552 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.678 -3.161 3.051 1.00 0.00 C ATOM 0 H LEU B 67 -0.463 -1.279 6.141 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.847 -3.016 5.959 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.005 -3.639 5.128 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.419 -4.625 4.855 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.106 -1.861 3.669 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -0.405 -2.971 1.589 1.00 0.00 H new ATOM 0 HD12 LEU B 67 0.760 -3.239 2.907 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -0.368 -4.534 2.440 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -2.801 -2.681 2.080 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.862 -4.231 2.953 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.388 -2.734 3.759 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.298 -4.129 8.064 1.00 0.00 N ATOM 1436 CA VAL B 68 -2.041 -4.814 9.319 1.00 0.00 C ATOM 1437 C VAL B 68 -1.723 -6.255 8.989 1.00 0.00 C ATOM 1438 O VAL B 68 -2.615 -7.032 8.666 1.00 0.00 O ATOM 1439 CB VAL B 68 -3.250 -4.752 10.276 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.867 -5.257 11.659 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.806 -3.337 10.353 1.00 0.00 C ATOM 0 H VAL B 68 -3.272 -4.161 7.763 1.00 0.00 H new ATOM 0 HA VAL B 68 -1.211 -4.326 9.830 1.00 0.00 H new ATOM 0 HB VAL B 68 -4.031 -5.402 9.880 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.733 -5.205 12.318 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.527 -6.290 11.588 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -2.066 -4.638 12.063 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.657 -3.317 11.033 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -3.033 -2.662 10.720 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -4.126 -3.017 9.361 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.455 -6.605 9.042 1.00 0.00 N ATOM 1452 CA LEU B 69 -0.036 -7.945 8.689 1.00 0.00 C ATOM 1453 C LEU B 69 -0.438 -8.969 9.742 1.00 0.00 C ATOM 1454 O LEU B 69 -0.871 -8.623 10.847 1.00 0.00 O ATOM 1455 CB LEU B 69 1.465 -7.997 8.432 1.00 0.00 C ATOM 1456 CG LEU B 69 2.036 -6.812 7.647 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.504 -7.036 7.332 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.251 -6.572 6.367 1.00 0.00 C ATOM 0 H LEU B 69 0.302 -5.982 9.325 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.555 -8.208 7.767 1.00 0.00 H new ATOM 0 HB2 LEU B 69 1.979 -8.058 9.391 1.00 0.00 H new ATOM 0 HB3 LEU B 69 1.693 -8.915 7.889 1.00 0.00 H new ATOM 0 HG LEU B 69 1.945 -5.924 8.272 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.891 -6.183 6.774 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.063 -7.145 8.261 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.614 -7.941 6.734 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.679 -5.725 5.831 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.299 -7.461 5.738 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.211 -6.358 6.613 1.00 0.00 H new ATOM 1470 N HIS B 70 -0.314 -10.234 9.374 1.00 0.00 N ATOM 1471 CA HIS B 70 -0.671 -11.343 10.254 1.00 0.00 C ATOM 1472 C HIS B 70 0.154 -11.363 11.531 1.00 0.00 C ATOM 1473 O HIS B 70 -0.397 -11.560 12.616 1.00 0.00 O ATOM 1474 CB HIS B 70 -0.534 -12.676 9.521 1.00 0.00 C ATOM 1475 CG HIS B 70 -1.643 -12.913 8.552 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -2.071 -12.141 7.530 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -2.478 -14.003 8.575 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -3.162 -12.738 6.925 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -3.366 -13.850 7.585 1.00 0.00 N flip ATOM 0 H HIS B 70 0.035 -10.524 8.461 1.00 0.00 H new ATOM 0 HA HIS B 70 -1.712 -11.193 10.542 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.418 -12.699 8.991 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.513 -13.487 10.249 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -2.428 -14.832 9.265 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.727 -12.365 6.084 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -4.108 -14.516 7.372 1.00 0.00 H new ATOM 1487 N ALA B 71 1.454 -11.131 11.410 1.00 0.00 N ATOM 1488 CA ALA B 71 2.343 -11.150 12.568 1.00 0.00 C ATOM 1489 C ALA B 71 2.035 -10.002 13.524 1.00 0.00 C ATOM 1490 O ALA B 71 2.187 -10.133 14.736 1.00 0.00 O ATOM 1491 CB ALA B 71 3.795 -11.103 12.120 1.00 0.00 C ATOM 0 H ALA B 71 1.918 -10.928 10.524 1.00 0.00 H new ATOM 0 HA ALA B 71 2.174 -12.082 13.107 1.00 0.00 H new ATOM 0 HB1 ALA B 71 4.446 -11.118 12.994 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.010 -11.968 11.492 1.00 0.00 H new ATOM 0 HB3 ALA B 71 3.971 -10.190 11.552 1.00 0.00 H new ATOM 1497 N GLY B 72 1.577 -8.888 12.973 1.00 0.00 N ATOM 1498 CA GLY B 72 1.251 -7.736 13.793 1.00 0.00 C ATOM 1499 C GLY B 72 1.883 -6.474 13.257 1.00 0.00 C ATOM 1500 O GLY B 72 1.587 -5.374 13.721 1.00 0.00 O ATOM 0 H GLY B 72 1.425 -8.759 11.973 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.169 -7.612 13.834 1.00 0.00 H new ATOM 0 HA3 GLY B 72 1.591 -7.908 14.814 1.00 0.00 H new ATOM 1504 N ASP B 73 2.753 -6.648 12.277 1.00 0.00 N ATOM 1505 CA ASP B 73 3.449 -5.541 11.640 1.00 0.00 C ATOM 1506 C ASP B 73 2.462 -4.683 10.861 1.00 0.00 C ATOM 1507 O ASP B 73 1.467 -5.187 10.335 1.00 0.00 O ATOM 1508 CB ASP B 73 4.542 -6.057 10.691 1.00 0.00 C ATOM 1509 CG ASP B 73 4.757 -7.562 10.778 1.00 0.00 C ATOM 1510 OD1 ASP B 73 3.791 -8.327 10.533 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.887 -7.981 11.098 1.00 0.00 O ATOM 0 H ASP B 73 2.998 -7.563 11.899 1.00 0.00 H new ATOM 0 HA ASP B 73 3.918 -4.940 12.419 1.00 0.00 H new ATOM 0 HB2 ASP B 73 4.278 -5.794 9.667 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.480 -5.550 10.919 1.00 0.00 H new ATOM 1516 N THR B 74 2.726 -3.391 10.796 1.00 0.00 N ATOM 1517 CA THR B 74 1.852 -2.475 10.087 1.00 0.00 C ATOM 1518 C THR B 74 2.650 -1.569 9.154 1.00 0.00 C ATOM 1519 O THR B 74 3.732 -1.093 9.504 1.00 0.00 O ATOM 1520 CB THR B 74 1.046 -1.613 11.080 1.00 0.00 C ATOM 1521 OG1 THR B 74 1.918 -1.078 12.087 1.00 0.00 O ATOM 1522 CG2 THR B 74 -0.054 -2.428 11.745 1.00 0.00 C ATOM 0 H THR B 74 3.540 -2.952 11.226 1.00 0.00 H new ATOM 0 HA THR B 74 1.162 -3.072 9.491 1.00 0.00 H new ATOM 0 HB THR B 74 0.586 -0.798 10.521 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.399 -0.531 12.712 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.606 -1.795 12.440 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.734 -2.811 10.984 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.389 -3.263 12.288 1.00 0.00 H new ATOM 1530 N THR B 75 2.128 -1.356 7.958 1.00 0.00 N ATOM 1531 CA THR B 75 2.784 -0.502 6.979 1.00 0.00 C ATOM 1532 C THR B 75 1.857 0.638 6.556 1.00 0.00 C ATOM 1533 O THR B 75 0.974 0.438 5.725 1.00 0.00 O ATOM 1534 CB THR B 75 3.183 -1.317 5.733 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.515 -2.658 6.116 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.371 -0.681 5.025 1.00 0.00 C ATOM 0 H THR B 75 1.249 -1.764 7.640 1.00 0.00 H new ATOM 0 HA THR B 75 3.679 -0.087 7.442 1.00 0.00 H new ATOM 0 HB THR B 75 2.336 -1.330 5.047 1.00 0.00 H new ATOM 0 HG1 THR B 75 3.766 -3.173 5.321 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.633 -1.275 4.149 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.110 0.330 4.713 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.222 -0.642 5.705 1.00 0.00 H new ATOM 1544 N ASN B 76 2.043 1.828 7.134 1.00 0.00 N ATOM 1545 CA ASN B 76 1.205 2.974 6.791 1.00 0.00 C ATOM 1546 C ASN B 76 1.866 3.771 5.669 1.00 0.00 C ATOM 1547 O ASN B 76 2.909 4.395 5.865 1.00 0.00 O ATOM 1548 CB ASN B 76 0.921 3.905 8.002 1.00 0.00 C ATOM 1549 CG ASN B 76 0.895 3.220 9.370 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.661 2.297 9.646 1.00 0.00 O ATOM 1551 ND2 ASN B 76 0.025 3.700 10.253 1.00 0.00 N ATOM 0 H ASN B 76 2.759 2.020 7.834 1.00 0.00 H new ATOM 0 HA ASN B 76 0.242 2.581 6.465 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.680 4.687 8.022 1.00 0.00 H new ATOM 0 HB3 ASN B 76 -0.039 4.396 7.843 1.00 0.00 H new ATOM 0 HD21 ASN B 76 -0.021 3.302 11.191 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.596 4.466 9.992 1.00 0.00 H new ATOM 1558 N PHE B 77 1.252 3.729 4.496 1.00 0.00 N ATOM 1559 CA PHE B 77 1.760 4.423 3.317 1.00 0.00 C ATOM 1560 C PHE B 77 1.221 5.847 3.241 1.00 0.00 C ATOM 1561 O PHE B 77 0.020 6.053 3.091 1.00 0.00 O ATOM 1562 CB PHE B 77 1.387 3.651 2.050 1.00 0.00 C ATOM 1563 CG PHE B 77 2.300 2.493 1.771 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.661 2.696 1.617 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.803 1.205 1.658 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.509 1.641 1.358 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.649 0.142 1.397 1.00 0.00 C ATOM 1568 CZ PHE B 77 4.003 0.361 1.246 1.00 0.00 C ATOM 0 H PHE B 77 0.387 3.213 4.332 1.00 0.00 H new ATOM 0 HA PHE B 77 2.846 4.476 3.398 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.365 3.285 2.144 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.405 4.332 1.199 1.00 0.00 H new ATOM 0 HD1 PHE B 77 4.063 3.695 1.701 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.744 1.029 1.775 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.569 1.815 1.243 1.00 0.00 H new ATOM 0 HE2 PHE B 77 2.250 -0.858 1.312 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.666 -0.467 1.041 1.00 0.00 H new ATOM 1578 N HIS B 78 2.118 6.812 3.342 1.00 0.00 N ATOM 1579 CA HIS B 78 1.765 8.227 3.304 1.00 0.00 C ATOM 1580 C HIS B 78 1.762 8.759 1.867 1.00 0.00 C ATOM 1581 O HIS B 78 2.804 8.860 1.222 1.00 0.00 O ATOM 1582 CB HIS B 78 2.756 8.993 4.213 1.00 0.00 C ATOM 1583 CG HIS B 78 2.867 10.483 4.006 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.893 11.246 4.532 1.00 0.00 N ATOM 1585 CD2 HIS B 78 2.087 11.347 3.305 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.712 12.511 4.135 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.631 12.627 3.388 1.00 0.00 N ATOM 0 H HIS B 78 3.117 6.639 3.453 1.00 0.00 H new ATOM 0 HA HIS B 78 0.752 8.374 3.677 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.470 8.816 5.250 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.746 8.558 4.076 1.00 0.00 H new ATOM 0 HD2 HIS B 78 1.188 11.083 2.768 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.366 13.331 4.393 1.00 0.00 H new ATOM 0 HE2 HIS B 78 2.268 13.478 2.959 1.00 0.00 H new ATOM 1595 N PHE B 79 0.576 9.093 1.375 1.00 0.00 N ATOM 1596 CA PHE B 79 0.428 9.651 0.034 1.00 0.00 C ATOM 1597 C PHE B 79 0.631 11.158 0.118 1.00 0.00 C ATOM 1598 O PHE B 79 -0.282 11.891 0.496 1.00 0.00 O ATOM 1599 CB PHE B 79 -0.960 9.358 -0.554 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.228 7.914 -0.880 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -1.260 6.948 0.114 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -1.473 7.532 -2.187 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.528 5.628 -0.194 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -1.748 6.215 -2.497 1.00 0.00 C ATOM 1605 CZ PHE B 79 -1.775 5.262 -1.503 1.00 0.00 C ATOM 0 H PHE B 79 -0.301 8.987 1.885 1.00 0.00 H new ATOM 0 HA PHE B 79 1.168 9.190 -0.620 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.716 9.700 0.153 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -1.083 9.948 -1.462 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -1.074 7.230 1.140 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -1.449 8.272 -2.973 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -1.544 4.883 0.588 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -1.942 5.932 -3.521 1.00 0.00 H new ATOM 0 HZ PHE B 79 -1.989 4.232 -1.746 1.00 0.00 H new ATOM 1615 N SER B 80 1.819 11.623 -0.229 1.00 0.00 N ATOM 1616 CA SER B 80 2.119 13.044 -0.142 1.00 0.00 C ATOM 1617 C SER B 80 1.771 13.789 -1.429 1.00 0.00 C ATOM 1618 O SER B 80 2.393 14.802 -1.759 1.00 0.00 O ATOM 1619 CB SER B 80 3.594 13.254 0.214 1.00 0.00 C ATOM 1620 OG SER B 80 4.453 12.715 -0.778 1.00 0.00 O ATOM 0 H SER B 80 2.586 11.044 -0.571 1.00 0.00 H new ATOM 0 HA SER B 80 1.495 13.459 0.649 1.00 0.00 H new ATOM 0 HB2 SER B 80 3.793 14.320 0.328 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.807 12.785 1.175 1.00 0.00 H new ATOM 0 HG SER B 80 4.369 11.739 -0.788 1.00 0.00 H new ATOM 1626 N ASN B 81 0.766 13.315 -2.153 1.00 0.00 N ATOM 1627 CA ASN B 81 0.369 13.973 -3.374 1.00 0.00 C ATOM 1628 C ASN B 81 -0.955 14.664 -3.114 1.00 0.00 C ATOM 1629 O ASN B 81 -2.001 14.073 -3.260 1.00 0.00 O ATOM 1630 CB ASN B 81 0.266 12.967 -4.526 1.00 0.00 C ATOM 1631 CG ASN B 81 0.583 13.584 -5.884 1.00 0.00 C ATOM 1632 OD1 ASN B 81 0.168 14.825 -6.101 1.00 0.00 O flip ATOM 1633 ND2 ASN B 81 1.211 12.947 -6.732 1.00 0.00 N flip ATOM 0 H ASN B 81 0.221 12.487 -1.914 1.00 0.00 H new ATOM 0 HA ASN B 81 1.115 14.709 -3.673 1.00 0.00 H new ATOM 0 HB2 ASN B 81 0.950 12.139 -4.340 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.741 12.550 -4.548 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.515 11.994 -6.532 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.426 13.373 -7.634 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.873 15.924 -2.729 1.00 0.00 N ATOM 1641 CA GLU B 82 -2.036 16.748 -2.382 1.00 0.00 C ATOM 1642 C GLU B 82 -3.254 16.507 -3.281 1.00 0.00 C ATOM 1643 O GLU B 82 -4.313 16.086 -2.810 1.00 0.00 O ATOM 1644 CB GLU B 82 -1.662 18.242 -2.451 1.00 0.00 C ATOM 1645 CG GLU B 82 -0.264 18.544 -3.005 1.00 0.00 C ATOM 1646 CD GLU B 82 0.000 17.938 -4.376 1.00 0.00 C ATOM 1647 OE1 GLU B 82 -0.854 18.077 -5.273 1.00 0.00 O ATOM 1648 OE2 GLU B 82 1.051 17.274 -4.535 1.00 0.00 O ATOM 0 H GLU B 82 0.014 16.420 -2.644 1.00 0.00 H new ATOM 0 HA GLU B 82 -2.317 16.456 -1.370 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -2.398 18.755 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -1.737 18.665 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.133 19.624 -3.065 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.482 18.171 -2.304 1.00 0.00 H new ATOM 1655 N SER B 83 -3.094 16.754 -4.564 1.00 0.00 N ATOM 1656 CA SER B 83 -4.185 16.616 -5.517 1.00 0.00 C ATOM 1657 C SER B 83 -4.629 15.166 -5.774 1.00 0.00 C ATOM 1658 O SER B 83 -5.750 14.948 -6.235 1.00 0.00 O ATOM 1659 CB SER B 83 -3.773 17.271 -6.835 1.00 0.00 C ATOM 1660 OG SER B 83 -3.196 18.547 -6.607 1.00 0.00 O ATOM 0 H SER B 83 -2.212 17.054 -4.978 1.00 0.00 H new ATOM 0 HA SER B 83 -5.049 17.112 -5.074 1.00 0.00 H new ATOM 0 HB2 SER B 83 -3.059 16.632 -7.356 1.00 0.00 H new ATOM 0 HB3 SER B 83 -4.643 17.371 -7.484 1.00 0.00 H new ATOM 0 HG SER B 83 -2.293 18.437 -6.243 1.00 0.00 H new ATOM 1666 N THR B 84 -3.797 14.171 -5.470 1.00 0.00 N ATOM 1667 CA THR B 84 -4.169 12.785 -5.766 1.00 0.00 C ATOM 1668 C THR B 84 -3.973 11.811 -4.597 1.00 0.00 C ATOM 1669 O THR B 84 -4.032 10.607 -4.796 1.00 0.00 O ATOM 1670 CB THR B 84 -3.343 12.262 -6.957 1.00 0.00 C ATOM 1671 OG1 THR B 84 -1.959 12.237 -6.607 1.00 0.00 O ATOM 1672 CG2 THR B 84 -3.523 13.143 -8.177 1.00 0.00 C ATOM 0 H THR B 84 -2.884 14.290 -5.031 1.00 0.00 H new ATOM 0 HA THR B 84 -5.236 12.818 -5.988 1.00 0.00 H new ATOM 0 HB THR B 84 -3.693 11.257 -7.194 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.576 11.368 -6.849 1.00 0.00 H new ATOM 0 HG21 THR B 84 -2.928 12.749 -9.001 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.575 13.158 -8.463 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.196 14.157 -7.945 1.00 0.00 H new ATOM 1680 N ALA B 85 -3.797 12.315 -3.390 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.543 11.456 -2.231 1.00 0.00 C ATOM 1682 C ALA B 85 -4.658 10.450 -1.994 1.00 0.00 C ATOM 1683 O ALA B 85 -4.472 9.257 -2.204 1.00 0.00 O ATOM 1684 CB ALA B 85 -3.320 12.302 -0.991 1.00 0.00 C ATOM 0 H ALA B 85 -3.824 13.313 -3.179 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.641 10.884 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -3.132 11.652 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -2.461 12.955 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -4.206 12.907 -0.799 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.813 10.931 -1.566 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.959 10.052 -1.319 1.00 0.00 C ATOM 1692 C VAL B 86 -7.400 9.345 -2.597 1.00 0.00 C ATOM 1693 O VAL B 86 -7.849 8.201 -2.565 1.00 0.00 O ATOM 1694 CB VAL B 86 -8.141 10.828 -0.687 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.494 10.254 -1.088 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -8.006 10.813 0.826 1.00 0.00 C ATOM 0 H VAL B 86 -5.988 11.919 -1.381 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.637 9.293 -0.606 1.00 0.00 H new ATOM 0 HB VAL B 86 -8.099 11.851 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -10.289 10.834 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.602 10.301 -2.172 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.560 9.216 -0.761 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.838 11.359 1.271 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -8.016 9.783 1.182 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -7.067 11.286 1.112 1.00 0.00 H new ATOM 1706 N LYS B 87 -7.215 10.016 -3.719 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.598 9.468 -5.011 1.00 0.00 C ATOM 1708 C LYS B 87 -6.758 8.230 -5.330 1.00 0.00 C ATOM 1709 O LYS B 87 -7.293 7.165 -5.657 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.448 10.539 -6.099 1.00 0.00 C ATOM 1711 CG LYS B 87 -8.317 11.774 -5.861 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.611 12.817 -4.997 1.00 0.00 C ATOM 1713 CE LYS B 87 -8.557 13.461 -3.991 1.00 0.00 C ATOM 1714 NZ LYS B 87 -7.847 14.391 -3.068 1.00 0.00 N ATOM 0 H LYS B 87 -6.800 10.947 -3.763 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.644 9.163 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.403 10.845 -6.156 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.705 10.104 -7.065 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.584 12.219 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -9.247 11.474 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.783 12.347 -4.466 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -7.183 13.588 -5.637 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -9.336 14.005 -4.524 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -9.052 12.683 -3.410 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -8.512 14.741 -2.349 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -7.065 13.888 -2.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -7.468 15.194 -3.609 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.444 8.360 -5.196 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.547 7.246 -5.448 1.00 0.00 C ATOM 1730 C GLU B 88 -4.691 6.234 -4.322 1.00 0.00 C ATOM 1731 O GLU B 88 -4.563 5.031 -4.528 1.00 0.00 O ATOM 1732 CB GLU B 88 -3.101 7.739 -5.567 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.839 8.520 -6.846 1.00 0.00 C ATOM 1734 CD GLU B 88 -1.369 8.803 -7.090 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -0.689 7.972 -7.726 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -0.884 9.872 -6.673 1.00 0.00 O ATOM 0 H GLU B 88 -4.980 9.224 -4.915 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.808 6.768 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.867 8.369 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.427 6.883 -5.527 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.239 7.961 -7.692 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.381 9.465 -6.803 1.00 0.00 H new ATOM 1743 N ARG B 89 -4.992 6.748 -3.132 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.190 5.929 -1.942 1.00 0.00 C ATOM 1745 C ARG B 89 -6.292 4.905 -2.188 1.00 0.00 C ATOM 1746 O ARG B 89 -6.150 3.731 -1.849 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.560 6.832 -0.758 1.00 0.00 C ATOM 1748 CG ARG B 89 -5.248 6.254 0.614 1.00 0.00 C ATOM 1749 CD ARG B 89 -6.514 5.881 1.381 1.00 0.00 C ATOM 1750 NE ARG B 89 -7.623 6.796 1.114 1.00 0.00 N ATOM 1751 CZ ARG B 89 -8.741 6.436 0.477 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -8.941 5.167 0.140 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -9.671 7.338 0.203 1.00 0.00 N ATOM 0 H ARG B 89 -5.106 7.748 -2.967 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.267 5.396 -1.713 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -5.032 7.780 -0.865 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.626 7.053 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -4.620 5.370 0.500 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -4.676 6.980 1.191 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -6.812 4.867 1.113 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.299 5.878 2.450 1.00 0.00 H new ATOM 0 HE ARG B 89 -7.538 7.762 1.431 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -8.240 4.462 0.367 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -9.796 4.897 -0.346 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -9.535 8.311 0.478 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.523 7.060 -0.283 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.384 5.357 -2.796 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.511 4.481 -3.095 1.00 0.00 C ATOM 1769 C ASP B 90 -8.154 3.463 -4.167 1.00 0.00 C ATOM 1770 O ASP B 90 -8.533 2.302 -4.067 1.00 0.00 O ATOM 1771 CB ASP B 90 -9.742 5.287 -3.527 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.626 5.655 -2.352 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -11.016 4.741 -1.594 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -10.914 6.851 -2.161 1.00 0.00 O ATOM 0 H ASP B 90 -7.512 6.325 -3.091 1.00 0.00 H new ATOM 0 HA ASP B 90 -8.751 3.944 -2.177 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.419 6.196 -4.035 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.320 4.707 -4.247 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.380 3.888 -5.161 1.00 0.00 N ATOM 1780 CA ALA B 91 -6.989 2.998 -6.257 1.00 0.00 C ATOM 1781 C ALA B 91 -6.183 1.809 -5.735 1.00 0.00 C ATOM 1782 O ALA B 91 -6.316 0.679 -6.214 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.188 3.766 -7.298 1.00 0.00 C ATOM 0 H ALA B 91 -7.011 4.836 -5.233 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.895 2.613 -6.724 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.903 3.093 -8.107 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -6.795 4.578 -7.698 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.291 4.177 -6.836 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.377 2.077 -4.725 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.537 1.059 -4.112 1.00 0.00 C ATOM 1791 C VAL B 92 -5.398 0.191 -3.219 1.00 0.00 C ATOM 1792 O VAL B 92 -5.353 -1.035 -3.288 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.400 1.675 -3.269 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.416 0.607 -2.825 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.678 2.763 -4.042 1.00 0.00 C ATOM 0 H VAL B 92 -5.284 3.002 -4.306 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.080 0.473 -4.909 1.00 0.00 H new ATOM 0 HB VAL B 92 -3.850 2.123 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -1.624 1.065 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -2.935 -0.138 -2.222 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -1.981 0.126 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.882 3.180 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.249 2.340 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.383 3.551 -4.306 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.193 0.866 -2.397 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.119 0.225 -1.475 1.00 0.00 C ATOM 1807 C LYS B 93 -7.932 -0.832 -2.206 1.00 0.00 C ATOM 1808 O LYS B 93 -7.999 -1.989 -1.791 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.047 1.296 -0.897 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.433 0.798 -0.536 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.415 1.947 -0.410 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.769 1.595 -1.004 1.00 0.00 C ATOM 1813 NZ LYS B 93 -12.017 2.326 -2.274 1.00 0.00 N ATOM 0 H LYS B 93 -6.212 1.885 -2.353 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.568 -0.261 -0.670 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.583 1.719 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.142 2.105 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.781 0.101 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.391 0.248 0.404 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.536 2.209 0.641 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -10.014 2.826 -0.914 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.819 0.521 -1.186 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -12.554 1.834 -0.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.039 2.353 -2.465 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.654 3.297 -2.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -11.532 1.840 -3.055 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.518 -0.396 -3.310 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.336 -1.228 -4.167 1.00 0.00 C ATOM 1829 C ASP B 94 -8.609 -2.481 -4.619 1.00 0.00 C ATOM 1830 O ASP B 94 -9.052 -3.593 -4.343 1.00 0.00 O ATOM 1831 CB ASP B 94 -9.773 -0.407 -5.378 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.108 0.279 -5.168 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.149 1.309 -4.462 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.119 -0.212 -5.707 1.00 0.00 O ATOM 0 H ASP B 94 -8.434 0.566 -3.639 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.204 -1.556 -3.595 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.014 0.344 -5.596 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.837 -1.058 -6.250 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.482 -2.299 -5.291 1.00 0.00 N ATOM 1840 CA LEU B 95 -6.705 -3.429 -5.794 1.00 0.00 C ATOM 1841 C LEU B 95 -6.315 -4.388 -4.672 1.00 0.00 C ATOM 1842 O LEU B 95 -6.330 -5.606 -4.852 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.455 -2.936 -6.530 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.518 -3.013 -8.061 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -6.805 -2.394 -8.588 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.313 -2.317 -8.673 1.00 0.00 C ATOM 0 H LEU B 95 -7.084 -1.384 -5.502 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.336 -3.976 -6.495 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.270 -1.901 -6.243 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.600 -3.519 -6.189 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.505 -4.065 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.823 -2.462 -9.676 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.661 -2.929 -8.177 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -6.854 -1.347 -8.289 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.370 -2.379 -9.760 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.304 -1.270 -8.369 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.399 -2.802 -8.329 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.008 -3.839 -3.508 1.00 0.00 N ATOM 1859 CA LEU B 96 -5.599 -4.652 -2.373 1.00 0.00 C ATOM 1860 C LEU B 96 -6.745 -5.491 -1.821 1.00 0.00 C ATOM 1861 O LEU B 96 -6.628 -6.709 -1.701 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.027 -3.777 -1.274 1.00 0.00 C ATOM 1863 CG LEU B 96 -3.810 -2.980 -1.701 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.406 -2.003 -0.616 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -2.659 -3.900 -2.045 1.00 0.00 C ATOM 0 H LEU B 96 -6.034 -2.836 -3.324 1.00 0.00 H new ATOM 0 HA LEU B 96 -4.831 -5.337 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -5.799 -3.088 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -4.759 -4.405 -0.424 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.071 -2.413 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.531 -1.440 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.229 -1.315 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.168 -2.550 0.296 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -1.797 -3.306 -2.349 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.398 -4.499 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -2.952 -4.559 -2.862 1.00 0.00 H new ATOM 1877 N GLN B 97 -7.859 -4.838 -1.508 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.016 -5.527 -0.940 1.00 0.00 C ATOM 1879 C GLN B 97 -9.637 -6.500 -1.930 1.00 0.00 C ATOM 1880 O GLN B 97 -10.315 -7.446 -1.536 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.059 -4.521 -0.454 1.00 0.00 C ATOM 1882 CG GLN B 97 -10.572 -3.582 -1.529 1.00 0.00 C ATOM 1883 CD GLN B 97 -11.372 -2.427 -0.951 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -11.083 -2.066 0.294 1.00 0.00 O flip ATOM 1885 NE2 GLN B 97 -12.246 -1.872 -1.613 1.00 0.00 N flip ATOM 0 H GLN B 97 -7.987 -3.834 -1.637 1.00 0.00 H new ATOM 0 HA GLN B 97 -8.662 -6.106 -0.087 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -10.903 -5.066 -0.032 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -9.627 -3.929 0.353 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -9.729 -3.189 -2.097 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.196 -4.139 -2.228 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -12.437 -2.180 -2.566 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -12.781 -1.103 -1.209 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.413 -6.262 -3.211 1.00 0.00 N ATOM 1895 CA GLN B 98 -9.940 -7.139 -4.245 1.00 0.00 C ATOM 1896 C GLN B 98 -9.128 -8.430 -4.313 1.00 0.00 C ATOM 1897 O GLN B 98 -9.670 -9.507 -4.554 1.00 0.00 O ATOM 1898 CB GLN B 98 -9.923 -6.429 -5.599 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.063 -5.436 -5.781 1.00 0.00 C ATOM 1900 CD GLN B 98 -10.869 -4.531 -6.982 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -10.284 -4.930 -7.989 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.354 -3.302 -6.885 1.00 0.00 N ATOM 0 H GLN B 98 -8.871 -5.471 -3.560 1.00 0.00 H new ATOM 0 HA GLN B 98 -10.971 -7.391 -3.995 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.974 -5.905 -5.713 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -9.972 -7.175 -6.392 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.000 -5.982 -5.891 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.153 -4.825 -4.883 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.833 -3.008 -6.034 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.249 -2.649 -7.662 1.00 0.00 H new ATOM 1911 N LEU B 99 -7.826 -8.313 -4.086 1.00 0.00 N ATOM 1912 CA LEU B 99 -6.931 -9.463 -4.133 1.00 0.00 C ATOM 1913 C LEU B 99 -6.839 -10.194 -2.794 1.00 0.00 C ATOM 1914 O LEU B 99 -6.591 -11.401 -2.758 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.543 -9.017 -4.577 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.494 -8.501 -6.009 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.194 -7.763 -6.269 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.661 -9.646 -6.997 1.00 0.00 C ATOM 0 H LEU B 99 -7.365 -7.430 -3.867 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.348 -10.167 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.191 -8.234 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.853 -9.855 -4.478 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.319 -7.803 -6.147 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.180 -7.403 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.113 -6.917 -5.587 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.354 -8.439 -6.109 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.623 -9.257 -8.015 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.858 -10.369 -6.855 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.622 -10.133 -6.830 1.00 0.00 H new ATOM 1930 N LEU B 100 -7.045 -9.461 -1.702 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.961 -10.021 -0.348 1.00 0.00 C ATOM 1932 C LEU B 100 -7.688 -11.363 -0.173 1.00 0.00 C ATOM 1933 O LEU B 100 -7.076 -12.318 0.294 1.00 0.00 O ATOM 1934 CB LEU B 100 -7.465 -9.022 0.695 1.00 0.00 C ATOM 1935 CG LEU B 100 -6.394 -8.098 1.274 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -7.001 -7.167 2.306 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -5.262 -8.905 1.895 1.00 0.00 C ATOM 0 H LEU B 100 -7.274 -8.467 -1.726 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.901 -10.220 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -8.246 -8.410 0.243 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.927 -9.575 1.513 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.984 -7.500 0.460 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -6.226 -6.515 2.709 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -7.777 -6.561 1.838 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -7.437 -7.754 3.114 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -4.511 -8.227 2.301 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -5.657 -9.530 2.696 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.806 -9.537 1.133 1.00 0.00 H new ATOM 1949 N PRO B 101 -8.985 -11.482 -0.538 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.741 -12.737 -0.370 1.00 0.00 C ATOM 1951 C PRO B 101 -9.074 -13.944 -1.022 1.00 0.00 C ATOM 1952 O PRO B 101 -9.256 -15.082 -0.579 1.00 0.00 O ATOM 1953 CB PRO B 101 -11.096 -12.450 -1.034 1.00 0.00 C ATOM 1954 CG PRO B 101 -10.884 -11.218 -1.848 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.827 -10.432 -1.133 1.00 0.00 C ATOM 0 HA PRO B 101 -9.814 -13.004 0.684 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.412 -13.285 -1.660 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.875 -12.298 -0.287 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.567 -11.468 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.806 -10.644 -1.935 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.261 -9.799 -1.817 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -10.254 -9.778 -0.373 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.282 -13.696 -2.048 1.00 0.00 N ATOM 1964 CA LYS B 102 -7.604 -14.766 -2.754 1.00 0.00 C ATOM 1965 C LYS B 102 -6.398 -15.288 -1.970 1.00 0.00 C ATOM 1966 O LYS B 102 -6.107 -16.483 -1.992 1.00 0.00 O ATOM 1967 CB LYS B 102 -7.150 -14.279 -4.134 1.00 0.00 C ATOM 1968 CG LYS B 102 -6.334 -15.308 -4.896 1.00 0.00 C ATOM 1969 CD LYS B 102 -5.549 -14.681 -6.041 1.00 0.00 C ATOM 1970 CE LYS B 102 -4.362 -15.549 -6.441 1.00 0.00 C ATOM 1971 NZ LYS B 102 -3.448 -14.860 -7.391 1.00 0.00 N ATOM 0 H LYS B 102 -8.092 -12.762 -2.411 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.312 -15.587 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -8.027 -14.012 -4.724 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -6.558 -13.372 -4.015 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -5.644 -15.802 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.998 -16.077 -5.290 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.205 -14.540 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -5.196 -13.693 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -3.806 -15.833 -5.548 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -4.726 -16.470 -6.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -2.538 -15.362 -7.423 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -3.874 -14.854 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -3.292 -13.882 -7.075 1.00 0.00 H new ATOM 1985 N PHE B 103 -5.741 -14.412 -1.222 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.540 -14.794 -0.495 1.00 0.00 C ATOM 1987 C PHE B 103 -4.786 -14.967 0.990 1.00 0.00 C ATOM 1988 O PHE B 103 -4.076 -15.735 1.640 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.454 -13.750 -0.714 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.079 -13.584 -2.150 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -2.097 -14.376 -2.713 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -3.712 -12.639 -2.938 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -1.753 -14.228 -4.038 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -3.374 -12.487 -4.262 1.00 0.00 C ATOM 1995 CZ PHE B 103 -2.394 -13.282 -4.812 1.00 0.00 C ATOM 0 H PHE B 103 -6.018 -13.438 -1.103 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.222 -15.761 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.795 -12.792 -0.321 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.568 -14.031 -0.144 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -1.595 -15.117 -2.109 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.480 -12.014 -2.508 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -0.984 -14.850 -4.470 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -3.875 -11.747 -4.868 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.126 -13.165 -5.852 1.00 0.00 H new