USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 566 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 CYS SG : rot -117:sc= 1.53 USER MOD Set 1.2: A 64 TYR OH : rot 30:sc= -0.0822 USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= -0.0327 USER MOD Set 2.2: A 31 GLN : amide:sc= 0.639 K(o=0.61,f=-5.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 104:sc= 1.31 USER MOD Single : A 22 ASN : amide:sc= 0.6 K(o=0.6,f=-1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 1.13 (180deg=1.13) USER MOD Single : A 37 SER OG : rot -46:sc= 1.26 USER MOD Single : A 44 SER OG : rot -113:sc= 0.317 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.059) USER MOD Single : A 67 GLN : amide:sc= 1.02 K(o=1,f=-9.1!) USER MOD Single : A 69 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 72 SER OG : rot 61:sc= 1.35 USER MOD Single : A 74 MET CE :methyl 160:sc= -0.0833 (180deg=-0.526) USER MOD Single : A 76 ASN : amide:sc= -0.0718 K(o=-0.072,f=-1.6!) USER MOD Single : A 78 ASN : amide:sc= -0.686 K(o=-0.69,f=-4.3!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 1.42 K(o=1.4,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 160 N ASP A 12 -1.795 -3.799 -10.051 1.00 0.00 N ATOM 161 CA ASP A 12 -2.582 -4.395 -8.978 1.00 0.00 C ATOM 162 C ASP A 12 -2.571 -5.915 -9.066 1.00 0.00 C ATOM 163 O ASP A 12 -2.502 -6.605 -8.048 1.00 0.00 O ATOM 164 CB ASP A 12 -4.025 -3.885 -9.024 1.00 0.00 C ATOM 165 CG ASP A 12 -4.160 -2.444 -8.551 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.267 -1.971 -7.890 1.00 0.00 O ATOM 167 OD2 ASP A 12 -5.156 -1.832 -8.854 1.00 0.00 O ATOM 0 HA ASP A 12 -2.128 -4.100 -8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.400 -3.964 -10.044 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.651 -4.526 -8.404 1.00 0.00 H new ATOM 172 N ARG A 13 -2.640 -6.433 -10.288 1.00 0.00 N ATOM 173 CA ARG A 13 -2.601 -7.873 -10.513 1.00 0.00 C ATOM 174 C ARG A 13 -1.236 -8.449 -10.160 1.00 0.00 C ATOM 175 O ARG A 13 -1.139 -9.536 -9.589 1.00 0.00 O ATOM 176 CB ARG A 13 -2.925 -8.197 -11.964 1.00 0.00 C ATOM 177 CG ARG A 13 -4.376 -7.973 -12.361 1.00 0.00 C ATOM 178 CD ARG A 13 -4.659 -8.494 -13.723 1.00 0.00 C ATOM 179 NE ARG A 13 -4.606 -9.946 -13.770 1.00 0.00 N ATOM 180 CZ ARG A 13 -4.584 -10.675 -14.903 1.00 0.00 C ATOM 181 NH1 ARG A 13 -4.611 -10.074 -16.072 1.00 0.00 N ATOM 182 NH2 ARG A 13 -4.536 -11.994 -14.840 1.00 0.00 N ATOM 0 H ARG A 13 -2.723 -5.876 -11.138 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.351 -8.326 -9.865 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.289 -7.589 -12.608 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.668 -9.239 -12.155 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.030 -8.463 -11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.603 -6.908 -12.324 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.645 -8.156 -14.043 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.936 -8.081 -14.427 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.584 -10.448 -12.883 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.649 -9.056 -16.121 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.594 -10.626 -16.930 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.516 -12.461 -13.933 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.519 -12.545 -15.698 1.00 0.00 H new ATOM 196 N SER A 14 -0.183 -7.715 -10.502 1.00 0.00 N ATOM 197 CA SER A 14 1.177 -8.128 -10.177 1.00 0.00 C ATOM 198 C SER A 14 1.455 -7.982 -8.686 1.00 0.00 C ATOM 199 O SER A 14 2.333 -8.651 -8.140 1.00 0.00 O ATOM 200 CB SER A 14 2.175 -7.306 -10.969 1.00 0.00 C ATOM 201 OG SER A 14 2.212 -5.982 -10.510 1.00 0.00 O ATOM 0 H SER A 14 -0.245 -6.830 -11.005 1.00 0.00 H new ATOM 0 HA SER A 14 1.282 -9.180 -10.443 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.166 -7.752 -10.885 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.907 -7.321 -12.025 1.00 0.00 H new ATOM 0 HG SER A 14 2.864 -5.472 -11.035 1.00 0.00 H new ATOM 207 N LEU A 15 0.701 -7.105 -8.031 1.00 0.00 N ATOM 208 CA LEU A 15 0.800 -6.938 -6.586 1.00 0.00 C ATOM 209 C LEU A 15 0.184 -8.122 -5.852 1.00 0.00 C ATOM 210 O LEU A 15 0.744 -8.619 -4.875 1.00 0.00 O ATOM 211 CB LEU A 15 0.103 -5.642 -6.154 1.00 0.00 C ATOM 212 CG LEU A 15 0.166 -5.321 -4.655 1.00 0.00 C ATOM 213 CD1 LEU A 15 1.621 -5.201 -4.221 1.00 0.00 C ATOM 214 CD2 LEU A 15 -0.595 -4.033 -4.379 1.00 0.00 C ATOM 0 H LEU A 15 0.014 -6.498 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 15 1.857 -6.885 -6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.547 -4.812 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.944 -5.698 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.298 -6.124 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.665 -4.973 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.137 -6.142 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.104 -4.402 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.550 -3.805 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.145 -3.217 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.635 -4.153 -4.681 1.00 0.00 H new ATOM 226 N ARG A 16 -0.973 -8.571 -6.328 1.00 0.00 N ATOM 227 CA ARG A 16 -1.672 -9.693 -5.713 1.00 0.00 C ATOM 228 C ARG A 16 -1.165 -11.022 -6.257 1.00 0.00 C ATOM 229 O ARG A 16 -1.675 -12.084 -5.900 1.00 0.00 O ATOM 230 CB ARG A 16 -3.170 -9.587 -5.954 1.00 0.00 C ATOM 231 CG ARG A 16 -3.606 -9.834 -7.390 1.00 0.00 C ATOM 232 CD ARG A 16 -5.044 -9.520 -7.589 1.00 0.00 C ATOM 233 NE ARG A 16 -5.508 -9.915 -8.909 1.00 0.00 N ATOM 234 CZ ARG A 16 -6.756 -9.714 -9.373 1.00 0.00 C ATOM 235 NH1 ARG A 16 -7.653 -9.123 -8.615 1.00 0.00 N ATOM 236 NH2 ARG A 16 -7.080 -10.111 -10.592 1.00 0.00 N ATOM 0 H ARG A 16 -1.447 -8.174 -7.139 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.475 -9.655 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.679 -10.301 -5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.502 -8.593 -5.655 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.004 -9.224 -8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.421 -10.876 -7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.635 -10.030 -6.829 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.204 -8.450 -7.453 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.841 -10.377 -9.527 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.404 -8.816 -7.675 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.598 -8.971 -8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.385 -10.569 -11.181 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.025 -9.959 -10.944 1.00 0.00 H new ATOM 250 N SER A 17 -0.159 -10.957 -7.122 1.00 0.00 N ATOM 251 CA SER A 17 0.509 -12.156 -7.613 1.00 0.00 C ATOM 252 C SER A 17 1.852 -12.360 -6.923 1.00 0.00 C ATOM 253 O SER A 17 2.490 -11.400 -6.490 1.00 0.00 O ATOM 254 CB SER A 17 0.709 -12.066 -9.113 1.00 0.00 C ATOM 255 OG SER A 17 -0.520 -12.064 -9.784 1.00 0.00 O ATOM 0 H SER A 17 0.212 -10.085 -7.498 1.00 0.00 H new ATOM 0 HA SER A 17 -0.126 -13.012 -7.384 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.261 -11.158 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.312 -12.907 -9.454 1.00 0.00 H new ATOM 0 HG SER A 17 -0.726 -11.155 -10.087 1.00 0.00 H new ATOM 261 N VAL A 18 2.276 -13.615 -6.823 1.00 0.00 N ATOM 262 CA VAL A 18 3.576 -13.941 -6.250 1.00 0.00 C ATOM 263 C VAL A 18 4.391 -14.816 -7.195 1.00 0.00 C ATOM 264 O VAL A 18 3.841 -15.458 -8.090 1.00 0.00 O ATOM 265 CB VAL A 18 3.400 -14.669 -4.905 1.00 0.00 C ATOM 266 CG1 VAL A 18 2.623 -13.801 -3.927 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.694 -15.999 -5.124 1.00 0.00 C ATOM 0 H VAL A 18 1.737 -14.424 -7.132 1.00 0.00 H new ATOM 0 HA VAL A 18 4.112 -13.005 -6.091 1.00 0.00 H new ATOM 0 HB VAL A 18 4.383 -14.863 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.508 -14.331 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.164 -12.870 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.639 -13.579 -4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.573 -16.508 -4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.714 -15.822 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.288 -16.621 -5.794 1.00 0.00 H new ATOM 277 N PHE A 19 5.703 -14.838 -6.990 1.00 0.00 N ATOM 278 CA PHE A 19 6.577 -15.750 -7.717 1.00 0.00 C ATOM 279 C PHE A 19 7.025 -16.907 -6.832 1.00 0.00 C ATOM 280 O PHE A 19 7.576 -16.697 -5.751 1.00 0.00 O ATOM 281 CB PHE A 19 7.803 -15.006 -8.250 1.00 0.00 C ATOM 282 CG PHE A 19 8.746 -15.874 -9.033 1.00 0.00 C ATOM 283 CD1 PHE A 19 8.295 -16.610 -10.118 1.00 0.00 C ATOM 284 CD2 PHE A 19 10.086 -15.957 -8.685 1.00 0.00 C ATOM 285 CE1 PHE A 19 9.163 -17.409 -10.839 1.00 0.00 C ATOM 286 CE2 PHE A 19 10.955 -16.754 -9.404 1.00 0.00 C ATOM 287 CZ PHE A 19 10.492 -17.481 -10.483 1.00 0.00 C ATOM 0 H PHE A 19 6.185 -14.233 -6.325 1.00 0.00 H new ATOM 0 HA PHE A 19 6.009 -16.154 -8.555 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.470 -14.184 -8.883 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.342 -14.565 -7.411 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.255 -16.559 -10.403 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.454 -15.392 -7.842 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.799 -17.977 -11.682 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.996 -16.809 -9.123 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.170 -18.105 -11.047 1.00 0.00 H new ATOM 297 N VAL A 20 6.785 -18.128 -7.296 1.00 0.00 N ATOM 298 CA VAL A 20 7.052 -19.318 -6.497 1.00 0.00 C ATOM 299 C VAL A 20 8.174 -20.150 -7.106 1.00 0.00 C ATOM 300 O VAL A 20 8.120 -20.517 -8.279 1.00 0.00 O ATOM 301 CB VAL A 20 5.781 -20.181 -6.382 1.00 0.00 C ATOM 302 CG1 VAL A 20 6.048 -21.409 -5.525 1.00 0.00 C ATOM 303 CG2 VAL A 20 4.645 -19.354 -5.801 1.00 0.00 C ATOM 0 H VAL A 20 6.405 -18.320 -8.223 1.00 0.00 H new ATOM 0 HA VAL A 20 7.361 -18.988 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 20 5.492 -20.520 -7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.140 -22.008 -5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.840 -22.004 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.355 -21.096 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.749 -19.970 -5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.926 -18.994 -4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.444 -18.503 -6.452 1.00 0.00 H new ATOM 313 N GLY A 21 9.189 -20.443 -6.301 1.00 0.00 N ATOM 314 CA GLY A 21 10.283 -21.306 -6.731 1.00 0.00 C ATOM 315 C GLY A 21 10.301 -22.608 -5.942 1.00 0.00 C ATOM 316 O GLY A 21 9.491 -22.808 -5.037 1.00 0.00 O ATOM 0 H GLY A 21 9.277 -20.095 -5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.181 -21.524 -7.794 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.232 -20.786 -6.601 1.00 0.00 H new ATOM 320 N ASN A 22 11.230 -23.492 -6.289 1.00 0.00 N ATOM 321 CA ASN A 22 11.353 -24.780 -5.616 1.00 0.00 C ATOM 322 C ASN A 22 10.052 -25.568 -5.696 1.00 0.00 C ATOM 323 O ASN A 22 9.639 -26.203 -4.725 1.00 0.00 O ATOM 324 CB ASN A 22 11.774 -24.589 -4.171 1.00 0.00 C ATOM 325 CG ASN A 22 13.122 -23.935 -4.044 1.00 0.00 C ATOM 326 OD1 ASN A 22 13.929 -23.960 -4.980 1.00 0.00 O ATOM 327 ND2 ASN A 22 13.381 -23.349 -2.903 1.00 0.00 N ATOM 0 H ASN A 22 11.910 -23.340 -7.034 1.00 0.00 H new ATOM 0 HA ASN A 22 12.125 -25.354 -6.128 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.029 -23.981 -3.657 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.795 -25.558 -3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.279 -22.888 -2.759 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.684 -23.353 -2.158 1.00 0.00 H new ATOM 334 N ILE A 23 9.409 -25.524 -6.857 1.00 0.00 N ATOM 335 CA ILE A 23 8.165 -26.254 -7.073 1.00 0.00 C ATOM 336 C ILE A 23 8.436 -27.693 -7.491 1.00 0.00 C ATOM 337 O ILE A 23 9.181 -27.945 -8.438 1.00 0.00 O ATOM 338 CB ILE A 23 7.301 -25.562 -8.143 1.00 0.00 C ATOM 339 CG1 ILE A 23 6.879 -24.169 -7.670 1.00 0.00 C ATOM 340 CG2 ILE A 23 6.081 -26.409 -8.471 1.00 0.00 C ATOM 341 CD1 ILE A 23 6.213 -23.336 -8.741 1.00 0.00 C ATOM 0 H ILE A 23 9.729 -24.990 -7.665 1.00 0.00 H new ATOM 0 HA ILE A 23 7.624 -26.260 -6.127 1.00 0.00 H new ATOM 0 HB ILE A 23 7.895 -25.451 -9.050 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.196 -24.273 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.758 -23.638 -7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.481 -25.905 -9.229 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.403 -27.379 -8.849 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.483 -26.550 -7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.943 -22.363 -8.330 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.901 -23.199 -9.576 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.314 -23.844 -9.091 1.00 0.00 H new ATOM 353 N PRO A 24 7.827 -28.635 -6.778 1.00 0.00 N ATOM 354 CA PRO A 24 7.898 -30.043 -7.150 1.00 0.00 C ATOM 355 C PRO A 24 7.509 -30.248 -8.609 1.00 0.00 C ATOM 356 O PRO A 24 6.388 -29.939 -9.011 1.00 0.00 O ATOM 357 CB PRO A 24 6.894 -30.702 -6.200 1.00 0.00 C ATOM 358 CG PRO A 24 6.881 -29.810 -5.006 1.00 0.00 C ATOM 359 CD PRO A 24 6.990 -28.420 -5.575 1.00 0.00 C ATOM 0 HA PRO A 24 8.901 -30.462 -7.064 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.905 -30.775 -6.653 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.200 -31.715 -5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.964 -29.932 -4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.712 -30.031 -4.336 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.014 -28.007 -5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.457 -27.729 -4.873 1.00 0.00 H new ATOM 367 N TYR A 25 8.443 -30.770 -9.397 1.00 0.00 N ATOM 368 CA TYR A 25 8.226 -30.947 -10.828 1.00 0.00 C ATOM 369 C TYR A 25 7.190 -32.031 -11.098 1.00 0.00 C ATOM 370 O TYR A 25 6.642 -32.120 -12.197 1.00 0.00 O ATOM 371 CB TYR A 25 9.542 -31.285 -11.531 1.00 0.00 C ATOM 372 CG TYR A 25 9.918 -32.748 -11.454 1.00 0.00 C ATOM 373 CD1 TYR A 25 9.454 -33.635 -12.415 1.00 0.00 C ATOM 374 CD2 TYR A 25 10.727 -33.203 -10.424 1.00 0.00 C ATOM 375 CE1 TYR A 25 9.797 -34.971 -12.344 1.00 0.00 C ATOM 376 CE2 TYR A 25 11.070 -34.539 -10.353 1.00 0.00 C ATOM 377 CZ TYR A 25 10.608 -35.421 -11.309 1.00 0.00 C ATOM 378 OH TYR A 25 10.950 -36.752 -11.239 1.00 0.00 O ATOM 0 H TYR A 25 9.358 -31.078 -9.068 1.00 0.00 H new ATOM 0 HA TYR A 25 7.845 -30.007 -11.227 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.469 -30.993 -12.579 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.342 -30.690 -11.090 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.825 -33.281 -13.218 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.089 -32.512 -9.677 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.436 -35.664 -13.090 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.699 -34.893 -9.550 1.00 0.00 H new ATOM 0 HH TYR A 25 11.522 -36.902 -10.457 1.00 0.00 H new ATOM 388 N GLU A 26 6.925 -32.854 -10.089 1.00 0.00 N ATOM 389 CA GLU A 26 5.957 -33.937 -10.217 1.00 0.00 C ATOM 390 C GLU A 26 4.534 -33.431 -10.016 1.00 0.00 C ATOM 391 O GLU A 26 3.568 -34.126 -10.329 1.00 0.00 O ATOM 392 CB GLU A 26 6.262 -35.047 -9.209 1.00 0.00 C ATOM 393 CG GLU A 26 7.585 -35.762 -9.442 1.00 0.00 C ATOM 394 CD GLU A 26 7.869 -36.818 -8.411 1.00 0.00 C ATOM 395 OE1 GLU A 26 7.092 -36.953 -7.497 1.00 0.00 O ATOM 396 OE2 GLU A 26 8.865 -37.490 -8.537 1.00 0.00 O ATOM 0 H GLU A 26 7.368 -32.791 -9.172 1.00 0.00 H new ATOM 0 HA GLU A 26 6.038 -34.339 -11.227 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.266 -34.619 -8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.456 -35.780 -9.240 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.575 -36.220 -10.431 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.393 -35.031 -9.438 1.00 0.00 H new ATOM 403 N ALA A 27 4.412 -32.217 -9.490 1.00 0.00 N ATOM 404 CA ALA A 27 3.107 -31.624 -9.224 1.00 0.00 C ATOM 405 C ALA A 27 2.595 -30.852 -10.434 1.00 0.00 C ATOM 406 O ALA A 27 3.350 -30.133 -11.087 1.00 0.00 O ATOM 407 CB ALA A 27 3.176 -30.714 -8.007 1.00 0.00 C ATOM 0 H ALA A 27 5.203 -31.624 -9.239 1.00 0.00 H new ATOM 0 HA ALA A 27 2.406 -32.433 -9.019 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.194 -30.279 -7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.487 -31.293 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.897 -29.917 -8.189 1.00 0.00 H new ATOM 413 N THR A 28 1.309 -31.006 -10.727 1.00 0.00 N ATOM 414 CA THR A 28 0.681 -30.283 -11.826 1.00 0.00 C ATOM 415 C THR A 28 0.173 -28.921 -11.370 1.00 0.00 C ATOM 416 O THR A 28 0.128 -28.633 -10.174 1.00 0.00 O ATOM 417 CB THR A 28 -0.480 -31.092 -12.432 1.00 0.00 C ATOM 418 OG1 THR A 28 -1.538 -31.208 -11.470 1.00 0.00 O ATOM 419 CG2 THR A 28 -0.010 -32.482 -12.832 1.00 0.00 C ATOM 0 H THR A 28 0.680 -31.626 -10.218 1.00 0.00 H new ATOM 0 HA THR A 28 1.443 -30.135 -12.591 1.00 0.00 H new ATOM 0 HB THR A 28 -0.841 -30.572 -13.319 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.277 -31.722 -11.857 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.844 -33.039 -13.258 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.786 -32.398 -13.572 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.365 -33.006 -11.953 1.00 0.00 H new ATOM 427 N GLU A 29 -0.210 -28.086 -12.330 1.00 0.00 N ATOM 428 CA GLU A 29 -0.715 -26.752 -12.029 1.00 0.00 C ATOM 429 C GLU A 29 -1.964 -26.820 -11.160 1.00 0.00 C ATOM 430 O GLU A 29 -2.145 -26.008 -10.252 1.00 0.00 O ATOM 431 CB GLU A 29 -1.022 -25.994 -13.322 1.00 0.00 C ATOM 432 CG GLU A 29 0.210 -25.546 -14.096 1.00 0.00 C ATOM 433 CD GLU A 29 -0.129 -24.876 -15.399 1.00 0.00 C ATOM 434 OE1 GLU A 29 -1.131 -25.220 -15.979 1.00 0.00 O ATOM 435 OE2 GLU A 29 0.614 -24.018 -15.814 1.00 0.00 O ATOM 0 H GLU A 29 -0.180 -28.310 -13.325 1.00 0.00 H new ATOM 0 HA GLU A 29 0.059 -26.219 -11.477 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.629 -26.630 -13.966 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.623 -25.117 -13.081 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.790 -24.859 -13.480 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.844 -26.411 -14.292 1.00 0.00 H new ATOM 442 N GLU A 30 -2.824 -27.792 -11.443 1.00 0.00 N ATOM 443 CA GLU A 30 -4.063 -27.961 -10.694 1.00 0.00 C ATOM 444 C GLU A 30 -3.786 -28.417 -9.267 1.00 0.00 C ATOM 445 O GLU A 30 -4.434 -27.964 -8.323 1.00 0.00 O ATOM 446 CB GLU A 30 -4.976 -28.970 -11.394 1.00 0.00 C ATOM 447 CG GLU A 30 -5.531 -28.496 -12.729 1.00 0.00 C ATOM 448 CD GLU A 30 -6.385 -27.265 -12.604 1.00 0.00 C ATOM 449 OE1 GLU A 30 -7.223 -27.233 -11.736 1.00 0.00 O ATOM 450 OE2 GLU A 30 -6.199 -26.356 -13.378 1.00 0.00 O ATOM 0 H GLU A 30 -2.685 -28.476 -12.187 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.563 -26.993 -10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.421 -29.894 -11.553 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.809 -29.208 -10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.704 -28.291 -13.408 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.120 -29.297 -13.177 1.00 0.00 H new ATOM 457 N GLN A 31 -2.820 -29.317 -9.116 1.00 0.00 N ATOM 458 CA GLN A 31 -2.423 -29.801 -7.799 1.00 0.00 C ATOM 459 C GLN A 31 -1.789 -28.690 -6.971 1.00 0.00 C ATOM 460 O GLN A 31 -2.018 -28.593 -5.766 1.00 0.00 O ATOM 461 CB GLN A 31 -1.449 -30.975 -7.930 1.00 0.00 C ATOM 462 CG GLN A 31 -2.083 -32.253 -8.452 1.00 0.00 C ATOM 463 CD GLN A 31 -1.063 -33.353 -8.680 1.00 0.00 C ATOM 464 OE1 GLN A 31 0.023 -33.111 -9.213 1.00 0.00 O ATOM 465 NE2 GLN A 31 -1.408 -34.571 -8.276 1.00 0.00 N ATOM 0 H GLN A 31 -2.297 -29.726 -9.890 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.323 -30.140 -7.285 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.637 -30.686 -8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.005 -31.175 -6.955 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.834 -32.599 -7.742 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.602 -32.042 -9.387 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.317 -34.725 -7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.764 -35.352 -8.402 1.00 0.00 H new ATOM 474 N LEU A 32 -0.991 -27.853 -7.626 1.00 0.00 N ATOM 475 CA LEU A 32 -0.308 -26.758 -6.948 1.00 0.00 C ATOM 476 C LEU A 32 -1.296 -25.692 -6.490 1.00 0.00 C ATOM 477 O LEU A 32 -1.153 -25.126 -5.406 1.00 0.00 O ATOM 478 CB LEU A 32 0.737 -26.129 -7.878 1.00 0.00 C ATOM 479 CG LEU A 32 1.957 -27.003 -8.195 1.00 0.00 C ATOM 480 CD1 LEU A 32 2.742 -26.383 -9.343 1.00 0.00 C ATOM 481 CD2 LEU A 32 2.823 -27.136 -6.950 1.00 0.00 C ATOM 0 H LEU A 32 -0.802 -27.913 -8.626 1.00 0.00 H new ATOM 0 HA LEU A 32 0.189 -27.167 -6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.249 -25.864 -8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.086 -25.200 -7.427 1.00 0.00 H new ATOM 0 HG LEU A 32 1.633 -27.999 -8.498 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.609 -27.004 -9.568 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.105 -26.316 -10.225 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.075 -25.385 -9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.690 -27.757 -7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.157 -26.148 -6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.243 -27.598 -6.151 1.00 0.00 H new ATOM 493 N LYS A 33 -2.297 -25.424 -7.321 1.00 0.00 N ATOM 494 CA LYS A 33 -3.364 -24.498 -6.961 1.00 0.00 C ATOM 495 C LYS A 33 -4.165 -25.015 -5.773 1.00 0.00 C ATOM 496 O LYS A 33 -4.567 -24.244 -4.901 1.00 0.00 O ATOM 497 CB LYS A 33 -4.290 -24.258 -8.155 1.00 0.00 C ATOM 498 CG LYS A 33 -3.704 -23.357 -9.234 1.00 0.00 C ATOM 499 CD LYS A 33 -4.752 -22.984 -10.271 1.00 0.00 C ATOM 500 CE LYS A 33 -5.112 -24.173 -11.150 1.00 0.00 C ATOM 501 NZ LYS A 33 -6.060 -23.798 -12.233 1.00 0.00 N ATOM 0 H LYS A 33 -2.392 -25.835 -8.250 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.903 -23.553 -6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.545 -25.220 -8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.220 -23.817 -7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.303 -22.452 -8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.871 -23.864 -9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.647 -22.616 -9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.378 -22.170 -10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.205 -24.587 -11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.555 -24.957 -10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.266 -24.633 -12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.943 -23.443 -11.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.635 -23.056 -12.825 1.00 0.00 H new ATOM 515 N ASP A 34 -4.393 -26.323 -5.744 1.00 0.00 N ATOM 516 CA ASP A 34 -5.045 -26.962 -4.607 1.00 0.00 C ATOM 517 C ASP A 34 -4.236 -26.773 -3.330 1.00 0.00 C ATOM 518 O ASP A 34 -4.794 -26.522 -2.262 1.00 0.00 O ATOM 519 CB ASP A 34 -5.246 -28.456 -4.874 1.00 0.00 C ATOM 520 CG ASP A 34 -6.348 -28.733 -5.888 1.00 0.00 C ATOM 521 OD1 ASP A 34 -7.114 -27.840 -6.163 1.00 0.00 O ATOM 522 OD2 ASP A 34 -6.413 -29.835 -6.379 1.00 0.00 O ATOM 0 H ASP A 34 -4.136 -26.962 -6.496 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.017 -26.487 -4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.311 -28.885 -5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.486 -28.958 -3.937 1.00 0.00 H new ATOM 527 N ILE A 35 -2.918 -26.896 -3.447 1.00 0.00 N ATOM 528 CA ILE A 35 -2.019 -26.589 -2.341 1.00 0.00 C ATOM 529 C ILE A 35 -2.129 -25.126 -1.932 1.00 0.00 C ATOM 530 O ILE A 35 -2.187 -24.806 -0.745 1.00 0.00 O ATOM 531 CB ILE A 35 -0.560 -26.910 -2.714 1.00 0.00 C ATOM 532 CG1 ILE A 35 -0.363 -28.422 -2.844 1.00 0.00 C ATOM 533 CG2 ILE A 35 0.393 -26.332 -1.679 1.00 0.00 C ATOM 534 CD1 ILE A 35 0.953 -28.814 -3.477 1.00 0.00 C ATOM 0 H ILE A 35 -2.449 -27.206 -4.298 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.317 -27.212 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.339 -26.451 -3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.428 -28.874 -1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.178 -28.835 -3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.420 -26.568 -1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.269 -25.250 -1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.174 -26.763 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.020 -29.900 -3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.014 -28.393 -4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.776 -28.432 -2.873 1.00 0.00 H new ATOM 546 N PHE A 36 -2.157 -24.240 -2.922 1.00 0.00 N ATOM 547 CA PHE A 36 -2.120 -22.805 -2.667 1.00 0.00 C ATOM 548 C PHE A 36 -3.444 -22.312 -2.098 1.00 0.00 C ATOM 549 O PHE A 36 -3.502 -21.267 -1.449 1.00 0.00 O ATOM 550 CB PHE A 36 -1.797 -22.042 -3.953 1.00 0.00 C ATOM 551 CG PHE A 36 -0.430 -22.335 -4.504 1.00 0.00 C ATOM 552 CD1 PHE A 36 0.538 -22.934 -3.713 1.00 0.00 C ATOM 553 CD2 PHE A 36 -0.110 -22.011 -5.814 1.00 0.00 C ATOM 554 CE1 PHE A 36 1.796 -23.203 -4.219 1.00 0.00 C ATOM 555 CE2 PHE A 36 1.145 -22.280 -6.323 1.00 0.00 C ATOM 556 CZ PHE A 36 2.100 -22.877 -5.523 1.00 0.00 C ATOM 0 H PHE A 36 -2.205 -24.491 -3.909 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.337 -22.620 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.544 -22.288 -4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.879 -20.972 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.307 -23.193 -2.690 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.852 -21.542 -6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.541 -23.669 -3.592 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.380 -22.024 -7.346 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.083 -23.088 -5.919 1.00 0.00 H new ATOM 566 N SER A 37 -4.507 -23.071 -2.344 1.00 0.00 N ATOM 567 CA SER A 37 -5.824 -22.741 -1.812 1.00 0.00 C ATOM 568 C SER A 37 -5.841 -22.829 -0.291 1.00 0.00 C ATOM 569 O SER A 37 -6.727 -22.278 0.362 1.00 0.00 O ATOM 570 CB SER A 37 -6.870 -23.672 -2.393 1.00 0.00 C ATOM 571 OG SER A 37 -6.784 -24.946 -1.817 1.00 0.00 O ATOM 0 H SER A 37 -4.482 -23.920 -2.909 1.00 0.00 H new ATOM 0 HA SER A 37 -6.055 -21.715 -2.098 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.864 -23.259 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.736 -23.747 -3.472 1.00 0.00 H new ATOM 0 HG SER A 37 -5.847 -25.232 -1.794 1.00 0.00 H new ATOM 577 N GLU A 38 -4.857 -23.525 0.267 1.00 0.00 N ATOM 578 CA GLU A 38 -4.661 -23.552 1.712 1.00 0.00 C ATOM 579 C GLU A 38 -4.554 -22.143 2.279 1.00 0.00 C ATOM 580 O GLU A 38 -5.059 -21.861 3.366 1.00 0.00 O ATOM 581 CB GLU A 38 -3.405 -24.351 2.065 1.00 0.00 C ATOM 582 CG GLU A 38 -3.121 -24.449 3.557 1.00 0.00 C ATOM 583 CD GLU A 38 -1.908 -25.281 3.869 1.00 0.00 C ATOM 584 OE1 GLU A 38 -1.480 -26.017 3.012 1.00 0.00 O ATOM 585 OE2 GLU A 38 -1.408 -25.179 4.964 1.00 0.00 O ATOM 0 H GLU A 38 -4.182 -24.079 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.530 -24.036 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.504 -25.358 1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.547 -23.892 1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.981 -23.447 3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.988 -24.878 4.059 1.00 0.00 H new ATOM 592 N VAL A 39 -3.894 -21.260 1.537 1.00 0.00 N ATOM 593 CA VAL A 39 -3.717 -19.878 1.967 1.00 0.00 C ATOM 594 C VAL A 39 -4.981 -19.062 1.732 1.00 0.00 C ATOM 595 O VAL A 39 -5.464 -18.374 2.631 1.00 0.00 O ATOM 596 CB VAL A 39 -2.542 -19.229 1.210 1.00 0.00 C ATOM 597 CG1 VAL A 39 -2.444 -17.749 1.548 1.00 0.00 C ATOM 598 CG2 VAL A 39 -1.246 -19.948 1.553 1.00 0.00 C ATOM 0 H VAL A 39 -3.472 -21.477 0.634 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.502 -19.888 3.036 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.718 -19.319 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.609 -17.306 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.369 -17.248 1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.284 -17.630 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.419 -19.484 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.065 -19.879 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.324 -20.996 1.265 1.00 0.00 H new ATOM 608 N GLY A 40 -5.513 -19.142 0.517 1.00 0.00 N ATOM 609 CA GLY A 40 -6.706 -18.387 0.152 1.00 0.00 C ATOM 610 C GLY A 40 -7.081 -18.621 -1.306 1.00 0.00 C ATOM 611 O GLY A 40 -6.465 -19.436 -1.993 1.00 0.00 O ATOM 0 H GLY A 40 -5.136 -19.723 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.536 -18.680 0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.532 -17.324 0.320 1.00 0.00 H new ATOM 615 N PRO A 41 -8.096 -17.901 -1.773 1.00 0.00 N ATOM 616 CA PRO A 41 -8.597 -18.076 -3.131 1.00 0.00 C ATOM 617 C PRO A 41 -7.506 -17.811 -4.160 1.00 0.00 C ATOM 618 O PRO A 41 -6.804 -16.802 -4.089 1.00 0.00 O ATOM 619 CB PRO A 41 -9.720 -17.037 -3.220 1.00 0.00 C ATOM 620 CG PRO A 41 -10.179 -16.874 -1.811 1.00 0.00 C ATOM 621 CD PRO A 41 -8.918 -16.964 -0.994 1.00 0.00 C ATOM 0 HA PRO A 41 -8.938 -19.090 -3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.359 -16.095 -3.633 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.529 -17.379 -3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.680 -15.917 -1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.890 -17.652 -1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.434 -15.993 -0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.113 -17.336 0.012 1.00 0.00 H new ATOM 629 N VAL A 42 -7.366 -18.724 -5.115 1.00 0.00 N ATOM 630 CA VAL A 42 -6.391 -18.568 -6.188 1.00 0.00 C ATOM 631 C VAL A 42 -7.067 -18.176 -7.495 1.00 0.00 C ATOM 632 O VAL A 42 -7.922 -18.901 -8.004 1.00 0.00 O ATOM 633 CB VAL A 42 -5.606 -19.878 -6.391 1.00 0.00 C ATOM 634 CG1 VAL A 42 -4.603 -19.727 -7.525 1.00 0.00 C ATOM 635 CG2 VAL A 42 -4.906 -20.268 -5.099 1.00 0.00 C ATOM 0 H VAL A 42 -7.916 -19.581 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.705 -17.772 -5.899 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.304 -20.671 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.057 -20.662 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.130 -19.484 -8.447 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.902 -18.927 -7.286 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.353 -21.195 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.215 -19.477 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.647 -20.412 -4.313 1.00 0.00 H new ATOM 645 N VAL A 43 -6.679 -17.025 -8.034 1.00 0.00 N ATOM 646 CA VAL A 43 -7.262 -16.525 -9.274 1.00 0.00 C ATOM 647 C VAL A 43 -6.697 -17.260 -10.483 1.00 0.00 C ATOM 648 O VAL A 43 -7.445 -17.726 -11.343 1.00 0.00 O ATOM 649 CB VAL A 43 -6.990 -15.016 -9.421 1.00 0.00 C ATOM 650 CG1 VAL A 43 -7.439 -14.525 -10.789 1.00 0.00 C ATOM 651 CG2 VAL A 43 -7.701 -14.252 -8.314 1.00 0.00 C ATOM 0 H VAL A 43 -5.963 -16.420 -7.631 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.337 -16.700 -9.230 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.918 -14.839 -9.334 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.239 -13.457 -10.876 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.892 -15.060 -11.565 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.507 -14.705 -10.908 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.504 -13.185 -8.424 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.774 -14.432 -8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.334 -14.591 -7.345 1.00 0.00 H new ATOM 661 N SER A 44 -5.374 -17.360 -10.544 1.00 0.00 N ATOM 662 CA SER A 44 -4.705 -18.005 -11.667 1.00 0.00 C ATOM 663 C SER A 44 -3.336 -18.536 -11.262 1.00 0.00 C ATOM 664 O SER A 44 -2.807 -18.177 -10.210 1.00 0.00 O ATOM 665 CB SER A 44 -4.558 -17.029 -12.818 1.00 0.00 C ATOM 666 OG SER A 44 -3.593 -16.055 -12.530 1.00 0.00 O ATOM 0 H SER A 44 -4.743 -17.002 -9.827 1.00 0.00 H new ATOM 0 HA SER A 44 -5.319 -18.848 -11.984 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.277 -17.568 -13.723 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.516 -16.549 -13.017 1.00 0.00 H new ATOM 0 HG SER A 44 -4.027 -15.181 -12.441 1.00 0.00 H new ATOM 672 N PHE A 45 -2.767 -19.394 -12.102 1.00 0.00 N ATOM 673 CA PHE A 45 -1.425 -19.915 -11.873 1.00 0.00 C ATOM 674 C PHE A 45 -0.791 -20.396 -13.172 1.00 0.00 C ATOM 675 O PHE A 45 -1.456 -21.004 -14.011 1.00 0.00 O ATOM 676 CB PHE A 45 -1.464 -21.064 -10.863 1.00 0.00 C ATOM 677 CG PHE A 45 -0.140 -21.747 -10.671 1.00 0.00 C ATOM 678 CD1 PHE A 45 0.893 -21.113 -9.998 1.00 0.00 C ATOM 679 CD2 PHE A 45 0.075 -23.025 -11.164 1.00 0.00 C ATOM 680 CE1 PHE A 45 2.112 -21.741 -9.821 1.00 0.00 C ATOM 681 CE2 PHE A 45 1.292 -23.656 -10.988 1.00 0.00 C ATOM 682 CZ PHE A 45 2.311 -23.012 -10.316 1.00 0.00 C ATOM 0 H PHE A 45 -3.215 -19.744 -12.949 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.818 -19.103 -11.472 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.807 -20.680 -9.902 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.198 -21.800 -11.192 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.744 -20.117 -9.608 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.718 -23.534 -11.692 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.908 -21.236 -9.295 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.445 -24.652 -11.376 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.263 -23.503 -10.178 1.00 0.00 H new ATOM 692 N ARG A 46 0.498 -20.120 -13.332 1.00 0.00 N ATOM 693 CA ARG A 46 1.239 -20.573 -14.504 1.00 0.00 C ATOM 694 C ARG A 46 2.558 -21.222 -14.105 1.00 0.00 C ATOM 695 O ARG A 46 3.410 -20.588 -13.484 1.00 0.00 O ATOM 696 CB ARG A 46 1.514 -19.410 -15.446 1.00 0.00 C ATOM 697 CG ARG A 46 2.230 -19.785 -16.733 1.00 0.00 C ATOM 698 CD ARG A 46 2.307 -18.637 -17.673 1.00 0.00 C ATOM 699 NE ARG A 46 3.173 -17.582 -17.172 1.00 0.00 N ATOM 700 CZ ARG A 46 4.495 -17.497 -17.415 1.00 0.00 C ATOM 701 NH1 ARG A 46 5.088 -18.410 -18.153 1.00 0.00 N ATOM 702 NH2 ARG A 46 5.197 -16.497 -16.912 1.00 0.00 N ATOM 0 H ARG A 46 1.053 -19.584 -12.664 1.00 0.00 H new ATOM 0 HA ARG A 46 0.624 -21.314 -15.014 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.566 -18.935 -15.700 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.112 -18.667 -14.918 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.236 -20.134 -16.501 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.708 -20.613 -17.212 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.677 -18.983 -18.638 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.307 -18.237 -17.840 1.00 0.00 H new ATOM 0 HE ARG A 46 2.749 -16.855 -16.596 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.547 -19.182 -18.541 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.089 -18.346 -18.337 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.738 -15.789 -16.339 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.198 -16.433 -17.096 1.00 0.00 H new ATOM 716 N LEU A 47 2.719 -22.491 -14.466 1.00 0.00 N ATOM 717 CA LEU A 47 3.928 -23.234 -14.132 1.00 0.00 C ATOM 718 C LEU A 47 4.906 -23.250 -15.299 1.00 0.00 C ATOM 719 O LEU A 47 4.568 -23.689 -16.399 1.00 0.00 O ATOM 720 CB LEU A 47 3.573 -24.673 -13.735 1.00 0.00 C ATOM 721 CG LEU A 47 4.758 -25.571 -13.359 1.00 0.00 C ATOM 722 CD1 LEU A 47 5.446 -25.013 -12.121 1.00 0.00 C ATOM 723 CD2 LEU A 47 4.263 -26.989 -13.117 1.00 0.00 C ATOM 0 H LEU A 47 2.027 -23.026 -14.990 1.00 0.00 H new ATOM 0 HA LEU A 47 4.406 -22.733 -13.290 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.885 -24.638 -12.890 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.038 -25.137 -14.563 1.00 0.00 H new ATOM 0 HG LEU A 47 5.482 -25.593 -14.174 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.288 -25.651 -11.854 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.806 -24.005 -12.328 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.737 -24.982 -11.293 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.105 -27.628 -12.850 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.537 -26.987 -12.304 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.792 -27.370 -14.023 1.00 0.00 H new ATOM 735 N VAL A 48 6.120 -22.769 -15.054 1.00 0.00 N ATOM 736 CA VAL A 48 7.145 -22.711 -16.089 1.00 0.00 C ATOM 737 C VAL A 48 7.870 -24.045 -16.222 1.00 0.00 C ATOM 738 O VAL A 48 8.261 -24.651 -15.224 1.00 0.00 O ATOM 739 CB VAL A 48 8.167 -21.604 -15.769 1.00 0.00 C ATOM 740 CG1 VAL A 48 9.279 -21.589 -16.808 1.00 0.00 C ATOM 741 CG2 VAL A 48 7.467 -20.255 -15.708 1.00 0.00 C ATOM 0 H VAL A 48 6.418 -22.413 -14.146 1.00 0.00 H new ATOM 0 HA VAL A 48 6.649 -22.488 -17.034 1.00 0.00 H new ATOM 0 HB VAL A 48 8.616 -21.808 -14.797 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.992 -20.801 -16.566 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.789 -22.552 -16.809 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.853 -21.403 -17.794 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.196 -19.477 -15.481 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.998 -20.044 -16.669 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.704 -20.276 -14.930 1.00 0.00 H new ATOM 878 N LYS A 57 10.410 -26.458 -14.501 1.00 0.00 N ATOM 879 CA LYS A 57 11.689 -25.933 -14.036 1.00 0.00 C ATOM 880 C LYS A 57 11.685 -25.728 -12.527 1.00 0.00 C ATOM 881 O LYS A 57 12.736 -25.551 -11.912 1.00 0.00 O ATOM 882 CB LYS A 57 12.018 -24.618 -14.745 1.00 0.00 C ATOM 883 CG LYS A 57 12.307 -24.761 -16.233 1.00 0.00 C ATOM 884 CD LYS A 57 12.706 -23.428 -16.849 1.00 0.00 C ATOM 885 CE LYS A 57 12.980 -23.566 -18.339 1.00 0.00 C ATOM 886 NZ LYS A 57 13.370 -22.268 -18.956 1.00 0.00 N ATOM 0 HA LYS A 57 12.458 -26.667 -14.277 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.183 -23.930 -14.614 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.883 -24.165 -14.261 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.106 -25.487 -16.382 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.425 -25.149 -16.741 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.911 -22.699 -16.689 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.595 -23.045 -16.348 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.775 -24.295 -18.496 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.091 -23.952 -18.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.548 -22.406 -19.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.602 -21.579 -18.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.233 -21.912 -18.499 1.00 0.00 H new ATOM 900 N GLY A 58 10.496 -25.753 -11.935 1.00 0.00 N ATOM 901 CA GLY A 58 10.352 -25.560 -10.497 1.00 0.00 C ATOM 902 C GLY A 58 9.988 -24.117 -10.169 1.00 0.00 C ATOM 903 O GLY A 58 10.053 -23.698 -9.013 1.00 0.00 O ATOM 0 H GLY A 58 9.617 -25.905 -12.430 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.582 -26.229 -10.113 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.283 -25.826 -9.997 1.00 0.00 H new ATOM 907 N TYR A 59 9.604 -23.362 -11.193 1.00 0.00 N ATOM 908 CA TYR A 59 9.244 -21.960 -11.017 1.00 0.00 C ATOM 909 C TYR A 59 7.925 -21.640 -11.710 1.00 0.00 C ATOM 910 O TYR A 59 7.568 -22.268 -12.707 1.00 0.00 O ATOM 911 CB TYR A 59 10.355 -21.051 -11.546 1.00 0.00 C ATOM 912 CG TYR A 59 11.695 -21.274 -10.880 1.00 0.00 C ATOM 913 CD1 TYR A 59 12.634 -22.107 -11.471 1.00 0.00 C ATOM 914 CD2 TYR A 59 11.985 -20.645 -9.678 1.00 0.00 C ATOM 915 CE1 TYR A 59 13.857 -22.310 -10.862 1.00 0.00 C ATOM 916 CE2 TYR A 59 13.208 -20.849 -9.069 1.00 0.00 C ATOM 917 CZ TYR A 59 14.142 -21.677 -9.657 1.00 0.00 C ATOM 918 OH TYR A 59 15.360 -21.880 -9.051 1.00 0.00 O ATOM 0 H TYR A 59 9.534 -23.698 -12.154 1.00 0.00 H new ATOM 0 HA TYR A 59 9.119 -21.778 -9.950 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.462 -21.210 -12.619 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.059 -20.011 -11.406 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.409 -22.597 -12.407 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.255 -19.996 -9.218 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.589 -22.958 -11.320 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.433 -20.360 -8.133 1.00 0.00 H new ATOM 0 HH TYR A 59 15.401 -21.365 -8.218 1.00 0.00 H new ATOM 928 N GLY A 60 7.205 -20.659 -11.176 1.00 0.00 N ATOM 929 CA GLY A 60 5.960 -20.205 -11.783 1.00 0.00 C ATOM 930 C GLY A 60 5.357 -19.045 -11.002 1.00 0.00 C ATOM 931 O GLY A 60 5.888 -18.637 -9.969 1.00 0.00 O ATOM 0 H GLY A 60 7.463 -20.163 -10.323 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.145 -19.897 -12.812 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.249 -21.030 -11.821 1.00 0.00 H new ATOM 935 N PHE A 61 4.245 -18.516 -11.501 1.00 0.00 N ATOM 936 CA PHE A 61 3.594 -17.371 -10.877 1.00 0.00 C ATOM 937 C PHE A 61 2.174 -17.713 -10.443 1.00 0.00 C ATOM 938 O PHE A 61 1.465 -18.447 -11.131 1.00 0.00 O ATOM 939 CB PHE A 61 3.566 -16.182 -11.839 1.00 0.00 C ATOM 940 CG PHE A 61 4.927 -15.642 -12.176 1.00 0.00 C ATOM 941 CD1 PHE A 61 5.683 -16.211 -13.190 1.00 0.00 C ATOM 942 CD2 PHE A 61 5.455 -14.566 -11.478 1.00 0.00 C ATOM 943 CE1 PHE A 61 6.936 -15.716 -13.500 1.00 0.00 C ATOM 944 CE2 PHE A 61 6.706 -14.068 -11.787 1.00 0.00 C ATOM 945 CZ PHE A 61 7.447 -14.644 -12.799 1.00 0.00 C ATOM 0 H PHE A 61 3.775 -18.863 -12.337 1.00 0.00 H new ATOM 0 HA PHE A 61 4.171 -17.104 -9.992 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.067 -16.483 -12.760 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.968 -15.384 -11.399 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.288 -17.050 -13.744 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.881 -14.112 -10.683 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.515 -16.169 -14.291 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.104 -13.228 -11.237 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.425 -14.256 -13.041 1.00 0.00 H new ATOM 955 N CYS A 62 1.765 -17.175 -9.299 1.00 0.00 N ATOM 956 CA CYS A 62 0.446 -17.461 -8.747 1.00 0.00 C ATOM 957 C CYS A 62 -0.295 -16.176 -8.398 1.00 0.00 C ATOM 958 O CYS A 62 0.219 -15.332 -7.663 1.00 0.00 O ATOM 959 CB CYS A 62 0.563 -18.331 -7.496 1.00 0.00 C ATOM 960 SG CYS A 62 -1.026 -18.786 -6.761 1.00 0.00 S ATOM 0 H CYS A 62 2.328 -16.538 -8.736 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.118 -17.997 -9.510 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.108 -19.241 -7.749 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.157 -17.800 -6.752 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.108 -18.288 -5.563 1.00 0.00 H new ATOM 966 N GLU A 63 -1.504 -16.033 -8.930 1.00 0.00 N ATOM 967 CA GLU A 63 -2.311 -14.843 -8.689 1.00 0.00 C ATOM 968 C GLU A 63 -3.409 -15.119 -7.669 1.00 0.00 C ATOM 969 O GLU A 63 -4.207 -16.041 -7.837 1.00 0.00 O ATOM 970 CB GLU A 63 -2.930 -14.344 -9.996 1.00 0.00 C ATOM 971 CG GLU A 63 -3.710 -13.043 -9.867 1.00 0.00 C ATOM 972 CD GLU A 63 -4.245 -12.549 -11.182 1.00 0.00 C ATOM 973 OE1 GLU A 63 -4.273 -13.314 -12.116 1.00 0.00 O ATOM 974 OE2 GLU A 63 -4.627 -11.404 -11.252 1.00 0.00 O ATOM 0 H GLU A 63 -1.947 -16.727 -9.532 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.654 -14.072 -8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.136 -14.206 -10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.595 -15.115 -10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.539 -13.190 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.064 -12.279 -9.433 1.00 0.00 H new ATOM 981 N TYR A 64 -3.443 -14.316 -6.612 1.00 0.00 N ATOM 982 CA TYR A 64 -4.434 -14.482 -5.556 1.00 0.00 C ATOM 983 C TYR A 64 -5.504 -13.399 -5.628 1.00 0.00 C ATOM 984 O TYR A 64 -5.352 -12.411 -6.346 1.00 0.00 O ATOM 985 CB TYR A 64 -3.760 -14.469 -4.182 1.00 0.00 C ATOM 986 CG TYR A 64 -2.888 -15.678 -3.919 1.00 0.00 C ATOM 987 CD1 TYR A 64 -1.527 -15.622 -4.182 1.00 0.00 C ATOM 988 CD2 TYR A 64 -3.450 -16.842 -3.416 1.00 0.00 C ATOM 989 CE1 TYR A 64 -0.732 -16.726 -3.942 1.00 0.00 C ATOM 990 CE2 TYR A 64 -2.655 -17.945 -3.176 1.00 0.00 C ATOM 991 CZ TYR A 64 -1.301 -17.889 -3.437 1.00 0.00 C ATOM 992 OH TYR A 64 -0.509 -18.989 -3.198 1.00 0.00 O ATOM 0 H TYR A 64 -2.795 -13.543 -6.464 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.919 -15.447 -5.702 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.153 -13.568 -4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.528 -14.412 -3.411 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.089 -14.716 -4.574 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.510 -16.886 -3.212 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.328 -16.685 -4.146 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.093 -18.851 -2.784 1.00 0.00 H new ATOM 0 HH TYR A 64 0.397 -18.696 -2.967 1.00 0.00 H new ATOM 1002 N GLN A 65 -6.585 -13.592 -4.881 1.00 0.00 N ATOM 1003 CA GLN A 65 -7.727 -12.687 -4.938 1.00 0.00 C ATOM 1004 C GLN A 65 -7.316 -11.261 -4.595 1.00 0.00 C ATOM 1005 O GLN A 65 -7.807 -10.303 -5.194 1.00 0.00 O ATOM 1006 CB GLN A 65 -8.830 -13.156 -3.985 1.00 0.00 C ATOM 1007 CG GLN A 65 -10.102 -12.327 -4.049 1.00 0.00 C ATOM 1008 CD GLN A 65 -10.794 -12.431 -5.395 1.00 0.00 C ATOM 1009 OE1 GLN A 65 -11.063 -13.530 -5.887 1.00 0.00 O ATOM 1010 NE2 GLN A 65 -11.086 -11.285 -6.000 1.00 0.00 N ATOM 0 H GLN A 65 -6.695 -14.368 -4.228 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.110 -12.698 -5.958 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.074 -14.194 -4.212 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.447 -13.135 -2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.786 -12.655 -3.266 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.862 -11.283 -3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.845 -10.398 -5.557 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.551 -11.292 -6.908 1.00 0.00 H new ATOM 1019 N ASP A 66 -6.414 -11.125 -3.630 1.00 0.00 N ATOM 1020 CA ASP A 66 -5.944 -9.814 -3.199 1.00 0.00 C ATOM 1021 C ASP A 66 -4.508 -9.883 -2.695 1.00 0.00 C ATOM 1022 O ASP A 66 -3.925 -10.963 -2.595 1.00 0.00 O ATOM 1023 CB ASP A 66 -6.850 -9.254 -2.099 1.00 0.00 C ATOM 1024 CG ASP A 66 -6.921 -10.155 -0.874 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.065 -10.995 -0.727 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -7.831 -9.995 -0.096 1.00 0.00 O ATOM 0 H ASP A 66 -5.993 -11.908 -3.130 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.977 -9.150 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.485 -8.271 -1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.854 -9.113 -2.499 1.00 0.00 H new ATOM 1031 N GLN A 67 -3.941 -8.723 -2.380 1.00 0.00 N ATOM 1032 CA GLN A 67 -2.537 -8.635 -1.997 1.00 0.00 C ATOM 1033 C GLN A 67 -2.325 -9.119 -0.568 1.00 0.00 C ATOM 1034 O GLN A 67 -1.209 -9.458 -0.176 1.00 0.00 O ATOM 1035 CB GLN A 67 -2.030 -7.198 -2.142 1.00 0.00 C ATOM 1036 CG GLN A 67 -2.608 -6.228 -1.126 1.00 0.00 C ATOM 1037 CD GLN A 67 -3.950 -5.668 -1.559 1.00 0.00 C ATOM 1038 OE1 GLN A 67 -4.717 -6.331 -2.262 1.00 0.00 O ATOM 1039 NE2 GLN A 67 -4.241 -4.442 -1.141 1.00 0.00 N ATOM 0 H GLN A 67 -4.433 -7.830 -2.383 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.969 -9.281 -2.666 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.944 -7.197 -2.051 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.267 -6.841 -3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.721 -6.735 -0.168 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.908 -5.407 -0.972 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.577 -3.930 -0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.129 -4.012 -1.400 1.00 0.00 H new ATOM 1048 N GLU A 68 -3.404 -9.149 0.207 1.00 0.00 N ATOM 1049 CA GLU A 68 -3.358 -9.679 1.565 1.00 0.00 C ATOM 1050 C GLU A 68 -3.169 -11.190 1.560 1.00 0.00 C ATOM 1051 O GLU A 68 -2.399 -11.732 2.353 1.00 0.00 O ATOM 1052 CB GLU A 68 -4.637 -9.317 2.323 1.00 0.00 C ATOM 1053 CG GLU A 68 -4.680 -9.818 3.759 1.00 0.00 C ATOM 1054 CD GLU A 68 -3.604 -9.216 4.621 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -3.139 -8.150 4.299 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -3.248 -9.825 5.602 1.00 0.00 O ATOM 0 H GLU A 68 -4.322 -8.812 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.504 -9.228 2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.749 -8.233 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.492 -9.724 1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.655 -9.588 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.577 -10.903 3.763 1.00 0.00 H new ATOM 1063 N THR A 69 -3.877 -11.867 0.662 1.00 0.00 N ATOM 1064 CA THR A 69 -3.701 -13.302 0.471 1.00 0.00 C ATOM 1065 C THR A 69 -2.342 -13.613 -0.143 1.00 0.00 C ATOM 1066 O THR A 69 -1.701 -14.602 0.214 1.00 0.00 O ATOM 1067 CB THR A 69 -4.816 -13.883 -0.417 1.00 0.00 C ATOM 1068 OG1 THR A 69 -6.094 -13.592 0.163 1.00 0.00 O ATOM 1069 CG2 THR A 69 -4.657 -15.390 -0.555 1.00 0.00 C ATOM 0 H THR A 69 -4.579 -11.444 0.054 1.00 0.00 H new ATOM 0 HA THR A 69 -3.756 -13.768 1.455 1.00 0.00 H new ATOM 0 HB THR A 69 -4.746 -13.428 -1.405 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.340 -12.664 -0.036 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.454 -15.784 -1.186 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.691 -15.614 -1.008 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.712 -15.853 0.430 1.00 0.00 H new ATOM 1077 N ALA A 70 -1.908 -12.764 -1.069 1.00 0.00 N ATOM 1078 CA ALA A 70 -0.604 -12.922 -1.701 1.00 0.00 C ATOM 1079 C ALA A 70 0.520 -12.828 -0.677 1.00 0.00 C ATOM 1080 O ALA A 70 1.439 -13.646 -0.674 1.00 0.00 O ATOM 1081 CB ALA A 70 -0.415 -11.877 -2.791 1.00 0.00 C ATOM 0 H ALA A 70 -2.441 -11.959 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.566 -13.914 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.563 -12.007 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.192 -11.994 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.480 -10.880 -2.355 1.00 0.00 H new ATOM 1087 N LEU A 71 0.440 -11.826 0.191 1.00 0.00 N ATOM 1088 CA LEU A 71 1.432 -11.643 1.244 1.00 0.00 C ATOM 1089 C LEU A 71 1.340 -12.749 2.287 1.00 0.00 C ATOM 1090 O LEU A 71 2.349 -13.166 2.855 1.00 0.00 O ATOM 1091 CB LEU A 71 1.244 -10.278 1.918 1.00 0.00 C ATOM 1092 CG LEU A 71 1.612 -9.058 1.064 1.00 0.00 C ATOM 1093 CD1 LEU A 71 1.211 -7.785 1.798 1.00 0.00 C ATOM 1094 CD2 LEU A 71 3.105 -9.074 0.772 1.00 0.00 C ATOM 0 H LEU A 71 -0.303 -11.127 0.186 1.00 0.00 H new ATOM 0 HA LEU A 71 2.419 -11.687 0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.202 -10.184 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.845 -10.257 2.827 1.00 0.00 H new ATOM 0 HG LEU A 71 1.076 -9.092 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.472 -6.918 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.136 -7.792 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.738 -7.733 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.366 -8.207 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.660 -9.041 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.360 -9.985 0.231 1.00 0.00 H new ATOM 1106 N SER A 72 0.123 -13.221 2.534 1.00 0.00 N ATOM 1107 CA SER A 72 -0.089 -14.380 3.393 1.00 0.00 C ATOM 1108 C SER A 72 0.568 -15.625 2.811 1.00 0.00 C ATOM 1109 O SER A 72 1.170 -16.417 3.535 1.00 0.00 O ATOM 1110 CB SER A 72 -1.574 -14.624 3.584 1.00 0.00 C ATOM 1111 OG SER A 72 -2.168 -13.572 4.294 1.00 0.00 O ATOM 0 H SER A 72 -0.732 -12.818 2.151 1.00 0.00 H new ATOM 0 HA SER A 72 0.371 -14.171 4.359 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.057 -14.730 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.726 -15.561 4.120 1.00 0.00 H new ATOM 0 HG SER A 72 -2.068 -12.738 3.789 1.00 0.00 H new ATOM 1117 N ALA A 73 0.449 -15.792 1.498 1.00 0.00 N ATOM 1118 CA ALA A 73 1.106 -16.892 0.802 1.00 0.00 C ATOM 1119 C ALA A 73 2.620 -16.803 0.937 1.00 0.00 C ATOM 1120 O ALA A 73 3.293 -17.808 1.163 1.00 0.00 O ATOM 1121 CB ALA A 73 0.705 -16.905 -0.665 1.00 0.00 C ATOM 0 H ALA A 73 -0.097 -15.178 0.894 1.00 0.00 H new ATOM 0 HA ALA A 73 0.781 -17.824 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.204 -17.732 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.375 -17.028 -0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.999 -15.964 -1.131 1.00 0.00 H new ATOM 1127 N MET A 74 3.151 -15.593 0.796 1.00 0.00 N ATOM 1128 CA MET A 74 4.568 -15.345 1.037 1.00 0.00 C ATOM 1129 C MET A 74 4.986 -15.834 2.417 1.00 0.00 C ATOM 1130 O MET A 74 6.043 -16.446 2.576 1.00 0.00 O ATOM 1131 CB MET A 74 4.877 -13.858 0.882 1.00 0.00 C ATOM 1132 CG MET A 74 6.313 -13.475 1.214 1.00 0.00 C ATOM 1133 SD MET A 74 6.571 -11.690 1.229 1.00 0.00 S ATOM 1134 CE MET A 74 5.640 -11.226 2.686 1.00 0.00 C ATOM 0 H MET A 74 2.621 -14.768 0.516 1.00 0.00 H new ATOM 0 HA MET A 74 5.140 -15.904 0.297 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.663 -13.560 -0.144 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.205 -13.291 1.526 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.578 -13.885 2.189 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.984 -13.929 0.485 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.975 -10.250 3.037 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.579 -11.178 2.440 1.00 0.00 H new ATOM 0 HE3 MET A 74 5.798 -11.967 3.470 1.00 0.00 H new ATOM 1144 N ARG A 75 4.151 -15.561 3.414 1.00 0.00 N ATOM 1145 CA ARG A 75 4.484 -15.870 4.799 1.00 0.00 C ATOM 1146 C ARG A 75 4.187 -17.328 5.125 1.00 0.00 C ATOM 1147 O ARG A 75 4.815 -17.918 6.004 1.00 0.00 O ATOM 1148 CB ARG A 75 3.706 -14.972 5.750 1.00 0.00 C ATOM 1149 CG ARG A 75 4.080 -13.500 5.689 1.00 0.00 C ATOM 1150 CD ARG A 75 3.223 -12.678 6.582 1.00 0.00 C ATOM 1151 NE ARG A 75 1.843 -12.643 6.127 1.00 0.00 N ATOM 1152 CZ ARG A 75 0.841 -12.012 6.769 1.00 0.00 C ATOM 1153 NH1 ARG A 75 1.082 -11.369 7.890 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -0.383 -12.039 6.273 1.00 0.00 N ATOM 0 H ARG A 75 3.237 -15.126 3.288 1.00 0.00 H new ATOM 0 HA ARG A 75 5.552 -15.693 4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.643 -15.071 5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.857 -15.329 6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.125 -13.378 5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.985 -13.143 4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.261 -13.081 7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.616 -11.662 6.628 1.00 0.00 H new ATOM 0 HE ARG A 75 1.617 -13.131 5.260 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.027 -11.348 8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.324 -10.891 8.377 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.570 -12.538 5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.141 -11.561 6.760 1.00 0.00 H new ATOM 1168 N ASN A 76 3.225 -17.905 4.412 1.00 0.00 N ATOM 1169 CA ASN A 76 2.725 -19.236 4.735 1.00 0.00 C ATOM 1170 C ASN A 76 3.446 -20.307 3.927 1.00 0.00 C ATOM 1171 O ASN A 76 3.971 -21.270 4.484 1.00 0.00 O ATOM 1172 CB ASN A 76 1.226 -19.312 4.507 1.00 0.00 C ATOM 1173 CG ASN A 76 0.444 -18.563 5.549 1.00 0.00 C ATOM 1174 OD1 ASN A 76 0.958 -18.265 6.634 1.00 0.00 O ATOM 1175 ND2 ASN A 76 -0.789 -18.251 5.242 1.00 0.00 N ATOM 0 H ASN A 76 2.776 -17.471 3.606 1.00 0.00 H new ATOM 0 HA ASN A 76 2.925 -19.423 5.790 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.991 -18.908 3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.915 -20.357 4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.368 -17.741 5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.172 -18.517 4.335 1.00 0.00 H new ATOM 1182 N LEU A 77 3.467 -20.132 2.610 1.00 0.00 N ATOM 1183 CA LEU A 77 3.956 -21.168 1.708 1.00 0.00 C ATOM 1184 C LEU A 77 5.478 -21.238 1.722 1.00 0.00 C ATOM 1185 O LEU A 77 6.062 -22.304 1.529 1.00 0.00 O ATOM 1186 CB LEU A 77 3.464 -20.903 0.279 1.00 0.00 C ATOM 1187 CG LEU A 77 1.954 -21.057 0.056 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.603 -20.629 -1.362 1.00 0.00 C ATOM 1189 CD2 LEU A 77 1.549 -22.502 0.307 1.00 0.00 C ATOM 0 H LEU A 77 3.151 -19.282 2.143 1.00 0.00 H new ATOM 0 HA LEU A 77 3.564 -22.124 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.753 -19.891 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.984 -21.583 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 77 1.408 -20.420 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.530 -20.739 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.887 -19.587 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.140 -21.255 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.476 -22.612 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.086 -23.155 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.794 -22.776 1.333 1.00 0.00 H new ATOM 1201 N ASN A 78 6.115 -20.095 1.952 1.00 0.00 N ATOM 1202 CA ASN A 78 7.570 -20.010 1.922 1.00 0.00 C ATOM 1203 C ASN A 78 8.193 -20.816 3.054 1.00 0.00 C ATOM 1204 O ASN A 78 8.068 -20.458 4.226 1.00 0.00 O ATOM 1205 CB ASN A 78 8.022 -18.562 1.985 1.00 0.00 C ATOM 1206 CG ASN A 78 9.508 -18.413 1.816 1.00 0.00 C ATOM 1207 OD1 ASN A 78 10.292 -19.162 2.411 1.00 0.00 O ATOM 1208 ND2 ASN A 78 9.912 -17.460 1.015 1.00 0.00 N ATOM 0 H ASN A 78 5.646 -19.214 2.161 1.00 0.00 H new ATOM 0 HA ASN A 78 7.911 -20.439 0.980 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.513 -17.992 1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.724 -18.133 2.942 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.909 -17.312 0.861 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.229 -16.866 0.545 1.00 0.00 H new ATOM 1215 N GLY A 79 8.865 -21.906 2.699 1.00 0.00 N ATOM 1216 CA GLY A 79 9.507 -22.766 3.685 1.00 0.00 C ATOM 1217 C GLY A 79 8.771 -24.092 3.823 1.00 0.00 C ATOM 1218 O GLY A 79 9.247 -25.011 4.489 1.00 0.00 O ATOM 0 H GLY A 79 8.979 -22.215 1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.541 -22.950 3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.534 -22.260 4.650 1.00 0.00 H new ATOM 1222 N ARG A 80 7.606 -24.185 3.190 1.00 0.00 N ATOM 1223 CA ARG A 80 6.805 -25.402 3.234 1.00 0.00 C ATOM 1224 C ARG A 80 7.382 -26.476 2.322 1.00 0.00 C ATOM 1225 O ARG A 80 7.475 -26.289 1.109 1.00 0.00 O ATOM 1226 CB ARG A 80 5.368 -25.112 2.825 1.00 0.00 C ATOM 1227 CG ARG A 80 4.612 -24.182 3.761 1.00 0.00 C ATOM 1228 CD ARG A 80 4.320 -24.833 5.064 1.00 0.00 C ATOM 1229 NE ARG A 80 3.373 -25.927 4.924 1.00 0.00 N ATOM 1230 CZ ARG A 80 2.034 -25.785 4.929 1.00 0.00 C ATOM 1231 NH1 ARG A 80 1.500 -24.591 5.067 1.00 0.00 N ATOM 1232 NH2 ARG A 80 1.256 -26.845 4.795 1.00 0.00 N ATOM 0 H ARG A 80 7.196 -23.431 2.640 1.00 0.00 H new ATOM 0 HA ARG A 80 6.823 -25.768 4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.371 -24.675 1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.827 -26.056 2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.199 -23.279 3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.678 -23.873 3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.247 -25.209 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.920 -24.093 5.758 1.00 0.00 H new ATOM 0 HE ARG A 80 3.749 -26.869 4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.100 -23.773 5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.486 -24.483 5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.670 -27.771 4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.242 -26.737 4.799 1.00 0.00 H new ATOM 1246 N GLU A 81 7.770 -27.601 2.913 1.00 0.00 N ATOM 1247 CA GLU A 81 8.450 -28.659 2.175 1.00 0.00 C ATOM 1248 C GLU A 81 7.451 -29.626 1.552 1.00 0.00 C ATOM 1249 O GLU A 81 6.638 -30.230 2.252 1.00 0.00 O ATOM 1250 CB GLU A 81 9.406 -29.421 3.095 1.00 0.00 C ATOM 1251 CG GLU A 81 10.182 -30.537 2.410 1.00 0.00 C ATOM 1252 CD GLU A 81 11.083 -31.287 3.352 1.00 0.00 C ATOM 1253 OE1 GLU A 81 11.230 -30.858 4.471 1.00 0.00 O ATOM 1254 OE2 GLU A 81 11.624 -32.290 2.952 1.00 0.00 O ATOM 0 H GLU A 81 7.625 -27.804 3.902 1.00 0.00 H new ATOM 0 HA GLU A 81 9.021 -28.191 1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.115 -28.715 3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.835 -29.846 3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.479 -31.235 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.780 -30.114 1.603 1.00 0.00 H new ATOM 1261 N PHE A 82 7.518 -29.768 0.233 1.00 0.00 N ATOM 1262 CA PHE A 82 6.696 -30.743 -0.475 1.00 0.00 C ATOM 1263 C PHE A 82 7.558 -31.739 -1.239 1.00 0.00 C ATOM 1264 O PHE A 82 8.059 -31.438 -2.323 1.00 0.00 O ATOM 1265 CB PHE A 82 5.744 -30.037 -1.442 1.00 0.00 C ATOM 1266 CG PHE A 82 4.718 -29.176 -0.762 1.00 0.00 C ATOM 1267 CD1 PHE A 82 4.980 -27.840 -0.494 1.00 0.00 C ATOM 1268 CD2 PHE A 82 3.489 -29.698 -0.390 1.00 0.00 C ATOM 1269 CE1 PHE A 82 4.037 -27.047 0.132 1.00 0.00 C ATOM 1270 CE2 PHE A 82 2.544 -28.908 0.235 1.00 0.00 C ATOM 1271 CZ PHE A 82 2.819 -27.580 0.496 1.00 0.00 C ATOM 0 H PHE A 82 8.133 -29.220 -0.368 1.00 0.00 H new ATOM 0 HA PHE A 82 6.115 -31.288 0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.327 -29.420 -2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.233 -30.787 -2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.931 -27.415 -0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.268 -30.736 -0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.255 -26.009 0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.591 -29.328 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.081 -26.960 0.984 1.00 0.00 H new ATOM 1281 N SER A 83 7.728 -32.927 -0.669 1.00 0.00 N ATOM 1282 CA SER A 83 8.539 -33.967 -1.291 1.00 0.00 C ATOM 1283 C SER A 83 9.988 -33.520 -1.439 1.00 0.00 C ATOM 1284 O SER A 83 10.617 -33.756 -2.470 1.00 0.00 O ATOM 1285 CB SER A 83 7.971 -34.330 -2.649 1.00 0.00 C ATOM 1286 OG SER A 83 6.658 -34.806 -2.533 1.00 0.00 O ATOM 0 H SER A 83 7.314 -33.194 0.224 1.00 0.00 H new ATOM 0 HA SER A 83 8.516 -34.844 -0.644 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.989 -33.456 -3.300 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.597 -35.089 -3.118 1.00 0.00 H new ATOM 0 HG SER A 83 6.312 -35.032 -3.422 1.00 0.00 H new ATOM 1292 N GLY A 84 10.511 -32.873 -0.403 1.00 0.00 N ATOM 1293 CA GLY A 84 11.903 -32.440 -0.395 1.00 0.00 C ATOM 1294 C GLY A 84 12.080 -31.137 -1.163 1.00 0.00 C ATOM 1295 O GLY A 84 13.172 -30.830 -1.640 1.00 0.00 O ATOM 0 H GLY A 84 9.991 -32.637 0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.239 -32.307 0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.530 -33.214 -0.838 1.00 0.00 H new ATOM 1299 N ARG A 85 10.999 -30.374 -1.279 1.00 0.00 N ATOM 1300 CA ARG A 85 11.030 -29.106 -1.998 1.00 0.00 C ATOM 1301 C ARG A 85 10.384 -27.994 -1.182 1.00 0.00 C ATOM 1302 O ARG A 85 9.182 -27.751 -1.288 1.00 0.00 O ATOM 1303 CB ARG A 85 10.315 -29.230 -3.335 1.00 0.00 C ATOM 1304 CG ARG A 85 10.967 -30.185 -4.323 1.00 0.00 C ATOM 1305 CD ARG A 85 12.260 -29.656 -4.826 1.00 0.00 C ATOM 1306 NE ARG A 85 12.864 -30.543 -5.807 1.00 0.00 N ATOM 1307 CZ ARG A 85 13.685 -31.569 -5.509 1.00 0.00 C ATOM 1308 NH1 ARG A 85 13.989 -31.824 -4.256 1.00 0.00 N ATOM 1309 NH2 ARG A 85 14.184 -32.319 -6.476 1.00 0.00 N ATOM 0 H ARG A 85 10.089 -30.612 -0.884 1.00 0.00 H new ATOM 0 HA ARG A 85 12.076 -28.853 -2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.292 -29.560 -3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.256 -28.242 -3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.131 -31.150 -3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.293 -30.357 -5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.101 -28.675 -5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.946 -29.518 -3.990 1.00 0.00 H new ATOM 0 HE ARG A 85 12.651 -30.377 -6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.603 -31.245 -3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.610 -32.601 -4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.948 -32.121 -7.448 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.805 -33.096 -6.250 1.00 0.00 H new ATOM 1323 N ALA A 86 11.189 -27.320 -0.367 1.00 0.00 N ATOM 1324 CA ALA A 86 10.725 -26.156 0.378 1.00 0.00 C ATOM 1325 C ALA A 86 10.457 -24.978 -0.551 1.00 0.00 C ATOM 1326 O ALA A 86 11.366 -24.477 -1.212 1.00 0.00 O ATOM 1327 CB ALA A 86 11.742 -25.769 1.442 1.00 0.00 C ATOM 0 H ALA A 86 12.167 -27.561 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 86 9.787 -26.421 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.382 -24.898 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.880 -26.601 2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.693 -25.530 0.966 1.00 0.00 H new ATOM 1333 N LEU A 87 9.203 -24.541 -0.597 1.00 0.00 N ATOM 1334 CA LEU A 87 8.784 -23.515 -1.544 1.00 0.00 C ATOM 1335 C LEU A 87 9.447 -22.179 -1.237 1.00 0.00 C ATOM 1336 O LEU A 87 9.620 -21.812 -0.074 1.00 0.00 O ATOM 1337 CB LEU A 87 7.258 -23.355 -1.510 1.00 0.00 C ATOM 1338 CG LEU A 87 6.452 -24.559 -2.014 1.00 0.00 C ATOM 1339 CD1 LEU A 87 4.965 -24.283 -1.840 1.00 0.00 C ATOM 1340 CD2 LEU A 87 6.792 -24.824 -3.473 1.00 0.00 C ATOM 0 H LEU A 87 8.459 -24.882 0.011 1.00 0.00 H new ATOM 0 HA LEU A 87 9.094 -23.832 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.956 -23.142 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.989 -22.485 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 87 6.707 -25.447 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.392 -25.138 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.747 -24.116 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.690 -23.397 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.219 -25.680 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.544 -23.946 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.857 -25.036 -3.566 1.00 0.00 H new ATOM 1352 N ARG A 88 9.818 -21.453 -2.287 1.00 0.00 N ATOM 1353 CA ARG A 88 10.319 -20.092 -2.139 1.00 0.00 C ATOM 1354 C ARG A 88 9.346 -19.080 -2.730 1.00 0.00 C ATOM 1355 O ARG A 88 9.318 -18.867 -3.942 1.00 0.00 O ATOM 1356 CB ARG A 88 11.674 -19.944 -2.815 1.00 0.00 C ATOM 1357 CG ARG A 88 12.326 -18.580 -2.649 1.00 0.00 C ATOM 1358 CD ARG A 88 13.675 -18.537 -3.270 1.00 0.00 C ATOM 1359 NE ARG A 88 14.314 -17.243 -3.089 1.00 0.00 N ATOM 1360 CZ ARG A 88 15.032 -16.890 -2.005 1.00 0.00 C ATOM 1361 NH1 ARG A 88 15.193 -17.742 -1.017 1.00 0.00 N ATOM 1362 NH2 ARG A 88 15.574 -15.687 -1.936 1.00 0.00 N ATOM 0 H ARG A 88 9.781 -21.786 -3.251 1.00 0.00 H new ATOM 0 HA ARG A 88 10.424 -19.896 -1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.347 -20.703 -2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 88 11.557 -20.148 -3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 88 11.693 -17.816 -3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.406 -18.341 -1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.301 -19.315 -2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.592 -18.755 -4.335 1.00 0.00 H new ATOM 0 HE ARG A 88 14.211 -16.555 -3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.774 -18.671 -1.071 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.737 -17.475 -0.196 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.449 -15.026 -2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 88 16.118 -15.419 -1.116 1.00 0.00 H new ATOM 1376 N VAL A 89 8.550 -18.458 -1.867 1.00 0.00 N ATOM 1377 CA VAL A 89 7.454 -17.606 -2.313 1.00 0.00 C ATOM 1378 C VAL A 89 7.689 -16.154 -1.917 1.00 0.00 C ATOM 1379 O VAL A 89 8.007 -15.858 -0.765 1.00 0.00 O ATOM 1380 CB VAL A 89 6.122 -18.091 -1.710 1.00 0.00 C ATOM 1381 CG1 VAL A 89 4.972 -17.216 -2.187 1.00 0.00 C ATOM 1382 CG2 VAL A 89 5.883 -19.546 -2.083 1.00 0.00 C ATOM 0 H VAL A 89 8.644 -18.528 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 89 7.407 -17.667 -3.400 1.00 0.00 H new ATOM 0 HB VAL A 89 6.177 -18.015 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.039 -17.573 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.146 -16.185 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.906 -17.262 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.939 -19.882 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.842 -19.641 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.697 -20.159 -1.696 1.00 0.00 H new ATOM 1392 N ASP A 90 7.531 -15.251 -2.878 1.00 0.00 N ATOM 1393 CA ASP A 90 7.622 -13.821 -2.609 1.00 0.00 C ATOM 1394 C ASP A 90 6.815 -13.017 -3.620 1.00 0.00 C ATOM 1395 O ASP A 90 6.538 -13.489 -4.723 1.00 0.00 O ATOM 1396 CB ASP A 90 9.082 -13.362 -2.632 1.00 0.00 C ATOM 1397 CG ASP A 90 9.307 -12.063 -1.871 1.00 0.00 C ATOM 1398 OD1 ASP A 90 8.344 -11.482 -1.428 1.00 0.00 O ATOM 1399 OD2 ASP A 90 10.439 -11.664 -1.739 1.00 0.00 O ATOM 0 H ASP A 90 7.339 -15.485 -3.852 1.00 0.00 H new ATOM 0 HA ASP A 90 7.206 -13.645 -1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.710 -14.142 -2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.400 -13.231 -3.666 1.00 0.00 H new ATOM 1404 N ASN A 91 6.440 -11.801 -3.239 1.00 0.00 N ATOM 1405 CA ASN A 91 5.563 -10.976 -4.061 1.00 0.00 C ATOM 1406 C ASN A 91 6.219 -10.633 -5.392 1.00 0.00 C ATOM 1407 O ASN A 91 7.369 -10.194 -5.434 1.00 0.00 O ATOM 1408 CB ASN A 91 5.168 -9.713 -3.319 1.00 0.00 C ATOM 1409 CG ASN A 91 4.019 -8.995 -3.971 1.00 0.00 C ATOM 1410 OD1 ASN A 91 4.080 -8.645 -5.155 1.00 0.00 O ATOM 1411 ND2 ASN A 91 2.970 -8.770 -3.221 1.00 0.00 N ATOM 0 H ASN A 91 6.730 -11.364 -2.364 1.00 0.00 H new ATOM 0 HA ASN A 91 4.661 -11.551 -4.270 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.898 -9.968 -2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.027 -9.044 -3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.159 -8.288 -3.609 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.963 -9.077 -2.248 1.00 0.00 H new ATOM 1418 N ALA A 92 5.482 -10.835 -6.479 1.00 0.00 N ATOM 1419 CA ALA A 92 6.025 -10.647 -7.819 1.00 0.00 C ATOM 1420 C ALA A 92 6.380 -9.188 -8.070 1.00 0.00 C ATOM 1421 O ALA A 92 7.201 -8.878 -8.933 1.00 0.00 O ATOM 1422 CB ALA A 92 5.034 -11.138 -8.865 1.00 0.00 C ATOM 0 H ALA A 92 4.506 -11.129 -6.458 1.00 0.00 H new ATOM 0 HA ALA A 92 6.940 -11.234 -7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.453 -10.991 -9.860 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.835 -12.198 -8.708 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.104 -10.577 -8.777 1.00 0.00 H new ATOM 1428 N ALA A 93 5.756 -8.293 -7.311 1.00 0.00 N ATOM 1429 CA ALA A 93 5.974 -6.861 -7.477 1.00 0.00 C ATOM 1430 C ALA A 93 7.266 -6.419 -6.801 1.00 0.00 C ATOM 1431 O ALA A 93 7.752 -5.312 -7.034 1.00 0.00 O ATOM 1432 CB ALA A 93 4.793 -6.077 -6.924 1.00 0.00 C ATOM 0 H ALA A 93 5.094 -8.535 -6.574 1.00 0.00 H new ATOM 0 HA ALA A 93 6.064 -6.656 -8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.971 -5.010 -7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.886 -6.362 -7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 93 4.675 -6.297 -5.863 1.00 0.00 H new