USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 722 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 93 THR OG1 : rot 180:sc= -0.323 USER MOD Set 1.2: A 94 SER OG : rot 45:sc= 0.0385 USER MOD Set 2.1: A 26 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Set 2.2: A 30 MET CE :methyl 153:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 TYR OH : rot -143:sc= 0.211 USER MOD Set 3.2: A 17 ASN : amide:sc= 0.207 X(o=0.42,f=0.46) USER MOD Set 4.1: A 11 ASN : amide:sc= 0.201 K(o=0.68,f=-0.19) USER MOD Set 4.2: A 12 CYS SG : rot 24:sc= 0.479 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -1.29 X(o=-1.3,f=-1.8) USER MOD Single : A 34 HIS : no HE2:sc= -3.44! K(o=-3.4!,f=-2.8) USER MOD Single : A 37 LYS NZ :NH3+ -122:sc= -0.135 (180deg=-0.36) USER MOD Single : A 40 HIS : no HD1:sc= -0.363 X(o=-0.36,f=0.07) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= -0.0639 (180deg=-0.423) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -26:sc= 0.0658 USER MOD Single : A 50 HIS : no HE2:sc= -0.855 K(o=-0.86,f=-0.23) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.17 K(o=-0.17,f=-5.3!) USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.018) USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= 1.02 (180deg=0.489) USER MOD Single : A 66 ASN : amide:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00393) USER MOD Single : A 71 SER OG : rot 67:sc= 0.0352 USER MOD Single : A 78 SER OG : rot 149:sc= 0.669 USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= 1.17 (180deg=0.904) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 90 TYR OH : rot -134:sc= 0.248 USER MOD Single : A 91 SER OG : rot -75:sc= 0.553 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 7 -2.070 -14.044 3.488 1.00 0.00 N ATOM 84 CA LYS A 7 -3.328 -13.360 3.087 1.00 0.00 C ATOM 85 C LYS A 7 -4.611 -14.094 3.567 1.00 0.00 C ATOM 86 O LYS A 7 -5.653 -14.034 2.905 1.00 0.00 O ATOM 87 CB LYS A 7 -3.303 -13.180 1.541 1.00 0.00 C ATOM 88 CG LYS A 7 -2.050 -12.422 1.026 1.00 0.00 C ATOM 89 CD LYS A 7 -2.022 -12.236 -0.509 1.00 0.00 C ATOM 90 CE LYS A 7 -3.120 -11.286 -1.026 1.00 0.00 C ATOM 91 NZ LYS A 7 -3.094 -11.159 -2.504 1.00 0.00 N ATOM 0 HA LYS A 7 -3.371 -12.389 3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.344 -14.161 1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.198 -12.639 1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.008 -11.443 1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.156 -12.965 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.047 -11.848 -0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.137 -13.208 -0.988 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.096 -11.655 -0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.990 -10.302 -0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.848 -10.511 -2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.172 -10.783 -2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.244 -12.093 -2.935 1.00 0.00 H new ATOM 105 N ILE A 8 -4.521 -14.732 4.748 1.00 0.00 N ATOM 106 CA ILE A 8 -5.630 -15.470 5.396 1.00 0.00 C ATOM 107 C ILE A 8 -6.885 -14.584 5.574 1.00 0.00 C ATOM 108 O ILE A 8 -8.006 -14.985 5.223 1.00 0.00 O ATOM 109 CB ILE A 8 -5.159 -15.985 6.812 1.00 0.00 C ATOM 110 CG1 ILE A 8 -3.892 -16.885 6.676 1.00 0.00 C ATOM 111 CG2 ILE A 8 -6.292 -16.715 7.576 1.00 0.00 C ATOM 112 CD1 ILE A 8 -3.316 -17.372 7.993 1.00 0.00 C ATOM 0 H ILE A 8 -3.659 -14.752 5.293 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.895 -16.307 4.750 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.895 -15.110 7.407 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.142 -17.750 6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.122 -16.327 6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.920 -17.051 8.544 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.129 -16.032 7.725 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.625 -17.576 6.997 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.439 -17.990 7.800 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.030 -16.516 8.604 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.065 -17.961 8.522 1.00 0.00 H new ATOM 124 N PHE A 9 -6.669 -13.368 6.107 1.00 0.00 N ATOM 125 CA PHE A 9 -7.753 -12.426 6.443 1.00 0.00 C ATOM 126 C PHE A 9 -7.837 -11.284 5.428 1.00 0.00 C ATOM 127 O PHE A 9 -8.616 -10.355 5.632 1.00 0.00 O ATOM 128 CB PHE A 9 -7.540 -11.849 7.870 1.00 0.00 C ATOM 129 CG PHE A 9 -7.487 -12.911 8.961 1.00 0.00 C ATOM 130 CD1 PHE A 9 -8.635 -13.606 9.330 1.00 0.00 C ATOM 131 CD2 PHE A 9 -6.291 -13.232 9.593 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.584 -14.581 10.304 1.00 0.00 C ATOM 133 CE2 PHE A 9 -6.244 -14.209 10.561 1.00 0.00 C ATOM 134 CZ PHE A 9 -7.391 -14.881 10.912 1.00 0.00 C ATOM 0 H PHE A 9 -5.737 -13.010 6.317 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.693 -12.977 6.412 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.612 -11.278 7.886 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.347 -11.151 8.094 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.575 -13.380 8.849 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.387 -12.708 9.321 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.483 -15.108 10.588 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.308 -14.447 11.044 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.353 -15.649 11.670 1.00 0.00 H new ATOM 144 N LYS A 10 -7.057 -11.368 4.331 1.00 0.00 N ATOM 145 CA LYS A 10 -6.948 -10.277 3.329 1.00 0.00 C ATOM 146 C LYS A 10 -8.335 -9.921 2.757 1.00 0.00 C ATOM 147 O LYS A 10 -8.741 -8.755 2.742 1.00 0.00 O ATOM 148 CB LYS A 10 -5.999 -10.698 2.173 1.00 0.00 C ATOM 149 CG LYS A 10 -5.537 -9.538 1.261 1.00 0.00 C ATOM 150 CD LYS A 10 -4.560 -8.593 1.989 1.00 0.00 C ATOM 151 CE LYS A 10 -4.155 -7.368 1.160 1.00 0.00 C ATOM 152 NZ LYS A 10 -3.248 -6.466 1.921 1.00 0.00 N ATOM 0 H LYS A 10 -6.487 -12.185 4.112 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.538 -9.399 3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.119 -11.179 2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.504 -11.445 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.055 -9.944 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.406 -8.973 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.019 -8.256 2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.663 -9.150 2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.660 -7.695 0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.048 -6.819 0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.995 -5.649 1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.729 -6.135 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.385 -6.983 2.184 1.00 0.00 H new ATOM 166 N ASN A 11 -9.062 -10.971 2.339 1.00 0.00 N ATOM 167 CA ASN A 11 -10.419 -10.855 1.760 1.00 0.00 C ATOM 168 C ASN A 11 -11.510 -10.790 2.854 1.00 0.00 C ATOM 169 O ASN A 11 -12.688 -10.609 2.545 1.00 0.00 O ATOM 170 CB ASN A 11 -10.691 -12.050 0.808 1.00 0.00 C ATOM 171 CG ASN A 11 -10.646 -13.417 1.510 1.00 0.00 C ATOM 172 OD1 ASN A 11 -11.656 -13.905 2.019 1.00 0.00 O ATOM 173 ND2 ASN A 11 -9.474 -14.046 1.537 1.00 0.00 N ATOM 0 H ASN A 11 -8.726 -11.932 2.392 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.461 -9.922 1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.669 -11.920 0.346 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.955 -12.039 0.004 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.395 -14.958 1.988 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.655 -13.617 1.107 1.00 0.00 H new ATOM 180 N CYS A 12 -11.114 -10.947 4.126 1.00 0.00 N ATOM 181 CA CYS A 12 -12.048 -10.993 5.263 1.00 0.00 C ATOM 182 C CYS A 12 -11.995 -9.692 6.091 1.00 0.00 C ATOM 183 O CYS A 12 -10.919 -9.219 6.481 1.00 0.00 O ATOM 184 CB CYS A 12 -11.732 -12.222 6.150 1.00 0.00 C ATOM 185 SG CYS A 12 -11.907 -13.805 5.296 1.00 0.00 S ATOM 0 H CYS A 12 -10.136 -11.046 4.397 1.00 0.00 H new ATOM 0 HA CYS A 12 -13.061 -11.087 4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.713 -12.134 6.526 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.394 -12.212 7.016 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.777 -13.624 4.015 1.00 0.00 H new ATOM 191 N VAL A 13 -13.173 -9.104 6.319 1.00 0.00 N ATOM 192 CA VAL A 13 -13.362 -8.004 7.273 1.00 0.00 C ATOM 193 C VAL A 13 -13.828 -8.604 8.614 1.00 0.00 C ATOM 194 O VAL A 13 -14.800 -9.377 8.631 1.00 0.00 O ATOM 195 CB VAL A 13 -14.431 -6.972 6.754 1.00 0.00 C ATOM 196 CG1 VAL A 13 -14.486 -5.724 7.664 1.00 0.00 C ATOM 197 CG2 VAL A 13 -14.172 -6.575 5.281 1.00 0.00 C ATOM 0 H VAL A 13 -14.032 -9.380 5.842 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.419 -7.470 7.394 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.404 -7.462 6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.233 -5.028 7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.754 -6.024 8.677 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.510 -5.239 7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.930 -5.861 4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.185 -6.120 5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.218 -7.463 4.651 1.00 0.00 H new ATOM 207 N ILE A 14 -13.134 -8.275 9.724 1.00 0.00 N ATOM 208 CA ILE A 14 -13.431 -8.848 11.056 1.00 0.00 C ATOM 209 C ILE A 14 -13.728 -7.737 12.100 1.00 0.00 C ATOM 210 O ILE A 14 -12.904 -6.861 12.350 1.00 0.00 O ATOM 211 CB ILE A 14 -12.269 -9.779 11.613 1.00 0.00 C ATOM 212 CG1 ILE A 14 -11.967 -11.019 10.689 1.00 0.00 C ATOM 213 CG2 ILE A 14 -12.589 -10.259 13.048 1.00 0.00 C ATOM 214 CD1 ILE A 14 -11.074 -10.741 9.494 1.00 0.00 C ATOM 0 H ILE A 14 -12.359 -7.611 9.724 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.317 -9.466 10.909 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.370 -9.163 11.624 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.502 -11.797 11.295 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.914 -11.420 10.327 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.780 -10.894 13.408 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.693 -9.396 13.706 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.520 -10.825 13.043 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.930 -11.660 8.926 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.542 -9.990 8.857 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.108 -10.373 9.840 1.00 0.00 H new ATOM 226 N TYR A 15 -14.920 -7.820 12.711 1.00 0.00 N ATOM 227 CA TYR A 15 -15.315 -7.055 13.907 1.00 0.00 C ATOM 228 C TYR A 15 -15.276 -8.008 15.102 1.00 0.00 C ATOM 229 O TYR A 15 -15.597 -9.179 14.957 1.00 0.00 O ATOM 230 CB TYR A 15 -16.738 -6.438 13.705 1.00 0.00 C ATOM 231 CG TYR A 15 -17.502 -6.052 14.994 1.00 0.00 C ATOM 232 CD1 TYR A 15 -17.040 -5.051 15.853 1.00 0.00 C ATOM 233 CD2 TYR A 15 -18.688 -6.707 15.351 1.00 0.00 C ATOM 234 CE1 TYR A 15 -17.729 -4.721 17.008 1.00 0.00 C ATOM 235 CE2 TYR A 15 -19.377 -6.376 16.502 1.00 0.00 C ATOM 236 CZ TYR A 15 -18.894 -5.387 17.330 1.00 0.00 C ATOM 237 OH TYR A 15 -19.583 -5.062 18.483 1.00 0.00 O ATOM 0 H TYR A 15 -15.659 -8.439 12.378 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.631 -6.225 14.084 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.641 -5.547 13.084 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.345 -7.151 13.147 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -16.128 -4.525 15.611 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -19.072 -7.488 14.712 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.355 -3.943 17.657 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -20.292 -6.892 16.752 1.00 0.00 H new ATOM 0 HH TYR A 15 -19.965 -5.874 18.876 1.00 0.00 H new ATOM 247 N ILE A 16 -14.857 -7.509 16.273 1.00 0.00 N ATOM 248 CA ILE A 16 -14.740 -8.320 17.499 1.00 0.00 C ATOM 249 C ILE A 16 -15.753 -7.818 18.537 1.00 0.00 C ATOM 250 O ILE A 16 -15.649 -6.682 19.021 1.00 0.00 O ATOM 251 CB ILE A 16 -13.278 -8.266 18.071 1.00 0.00 C ATOM 252 CG1 ILE A 16 -12.249 -8.707 16.974 1.00 0.00 C ATOM 253 CG2 ILE A 16 -13.145 -9.136 19.351 1.00 0.00 C ATOM 254 CD1 ILE A 16 -10.793 -8.605 17.382 1.00 0.00 C ATOM 0 H ILE A 16 -14.589 -6.533 16.400 1.00 0.00 H new ATOM 0 HA ILE A 16 -14.959 -9.361 17.260 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.056 -7.237 18.353 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.460 -9.739 16.693 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.405 -8.096 16.085 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.123 -9.080 19.725 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -13.831 -8.768 20.114 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.388 -10.172 19.114 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.160 -8.932 16.557 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.557 -7.571 17.633 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.613 -9.239 18.250 1.00 0.00 H new ATOM 266 N ASN A 17 -16.741 -8.669 18.845 1.00 0.00 N ATOM 267 CA ASN A 17 -17.824 -8.373 19.798 1.00 0.00 C ATOM 268 C ASN A 17 -17.564 -9.079 21.144 1.00 0.00 C ATOM 269 O ASN A 17 -17.412 -10.307 21.191 1.00 0.00 O ATOM 270 CB ASN A 17 -19.177 -8.849 19.201 1.00 0.00 C ATOM 271 CG ASN A 17 -20.391 -8.508 20.075 1.00 0.00 C ATOM 272 OD1 ASN A 17 -20.969 -7.426 19.967 1.00 0.00 O ATOM 273 ND2 ASN A 17 -20.791 -9.435 20.940 1.00 0.00 N ATOM 0 H ASN A 17 -16.813 -9.599 18.433 1.00 0.00 H new ATOM 0 HA ASN A 17 -17.861 -7.298 19.975 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.310 -8.397 18.218 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.139 -9.928 19.053 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -21.598 -9.260 21.538 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -20.291 -10.321 21.005 1.00 0.00 H new ATOM 280 N GLY A 18 -17.524 -8.288 22.226 1.00 0.00 N ATOM 281 CA GLY A 18 -17.437 -8.813 23.593 1.00 0.00 C ATOM 282 C GLY A 18 -16.027 -9.188 24.018 1.00 0.00 C ATOM 283 O GLY A 18 -15.048 -8.841 23.336 1.00 0.00 O ATOM 0 H GLY A 18 -17.551 -7.270 22.177 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.828 -8.067 24.284 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.077 -9.691 23.676 1.00 0.00 H new ATOM 287 N TYR A 19 -15.929 -9.876 25.168 1.00 0.00 N ATOM 288 CA TYR A 19 -14.657 -10.376 25.710 1.00 0.00 C ATOM 289 C TYR A 19 -14.337 -11.739 25.088 1.00 0.00 C ATOM 290 O TYR A 19 -15.011 -12.738 25.364 1.00 0.00 O ATOM 291 CB TYR A 19 -14.726 -10.491 27.252 1.00 0.00 C ATOM 292 CG TYR A 19 -14.847 -9.140 27.980 1.00 0.00 C ATOM 293 CD1 TYR A 19 -16.088 -8.516 28.162 1.00 0.00 C ATOM 294 CD2 TYR A 19 -13.717 -8.485 28.480 1.00 0.00 C ATOM 295 CE1 TYR A 19 -16.189 -7.302 28.821 1.00 0.00 C ATOM 296 CE2 TYR A 19 -13.819 -7.274 29.137 1.00 0.00 C ATOM 297 CZ TYR A 19 -15.051 -6.686 29.304 1.00 0.00 C ATOM 298 OH TYR A 19 -15.145 -5.479 29.966 1.00 0.00 O ATOM 0 H TYR A 19 -16.736 -10.101 25.750 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.865 -9.671 25.459 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -15.579 -11.114 27.521 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.832 -11.004 27.607 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.981 -8.990 27.782 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -12.744 -8.935 28.350 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.155 -6.838 28.957 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -12.932 -6.790 29.519 1.00 0.00 H new ATOM 0 HH TYR A 19 -14.251 -5.186 30.240 1.00 0.00 H new ATOM 308 N THR A 20 -13.307 -11.750 24.244 1.00 0.00 N ATOM 309 CA THR A 20 -12.837 -12.934 23.523 1.00 0.00 C ATOM 310 C THR A 20 -11.360 -13.174 23.867 1.00 0.00 C ATOM 311 O THR A 20 -10.640 -12.209 24.161 1.00 0.00 O ATOM 312 CB THR A 20 -13.009 -12.702 21.985 1.00 0.00 C ATOM 313 OG1 THR A 20 -12.262 -11.538 21.578 1.00 0.00 O ATOM 314 CG2 THR A 20 -14.492 -12.510 21.601 1.00 0.00 C ATOM 0 H THR A 20 -12.761 -10.914 24.036 1.00 0.00 H new ATOM 0 HA THR A 20 -13.417 -13.809 23.814 1.00 0.00 H new ATOM 0 HB THR A 20 -12.633 -13.588 21.474 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.372 -11.399 20.614 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.572 -12.352 20.526 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.058 -13.399 21.880 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.895 -11.644 22.126 1.00 0.00 H new ATOM 322 N LYS A 21 -10.907 -14.448 23.881 1.00 0.00 N ATOM 323 CA LYS A 21 -9.484 -14.778 24.129 1.00 0.00 C ATOM 324 C LYS A 21 -8.720 -15.070 22.815 1.00 0.00 C ATOM 325 O LYS A 21 -9.202 -15.834 21.978 1.00 0.00 O ATOM 326 CB LYS A 21 -9.299 -15.972 25.095 1.00 0.00 C ATOM 327 CG LYS A 21 -9.953 -15.802 26.490 1.00 0.00 C ATOM 328 CD LYS A 21 -9.525 -14.498 27.213 1.00 0.00 C ATOM 329 CE LYS A 21 -8.001 -14.360 27.396 1.00 0.00 C ATOM 330 NZ LYS A 21 -7.636 -13.070 28.030 1.00 0.00 N ATOM 0 H LYS A 21 -11.502 -15.261 23.724 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.066 -13.889 24.601 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.711 -16.865 24.625 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.232 -16.146 25.231 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.037 -15.808 26.379 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.692 -16.657 27.113 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.893 -13.642 26.647 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.004 -14.462 28.192 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.633 -15.183 28.009 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.510 -14.440 26.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.603 -13.015 28.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.965 -12.284 27.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.084 -13.004 28.966 1.00 0.00 H new ATOM 344 N PRO A 22 -7.510 -14.455 22.603 1.00 0.00 N ATOM 345 CA PRO A 22 -6.937 -13.394 23.473 1.00 0.00 C ATOM 346 C PRO A 22 -7.630 -12.034 23.216 1.00 0.00 C ATOM 347 O PRO A 22 -8.494 -11.944 22.333 1.00 0.00 O ATOM 348 CB PRO A 22 -5.454 -13.390 23.068 1.00 0.00 C ATOM 349 CG PRO A 22 -5.484 -13.737 21.612 1.00 0.00 C ATOM 350 CD PRO A 22 -6.592 -14.761 21.478 1.00 0.00 C ATOM 0 HA PRO A 22 -7.075 -13.570 24.540 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.995 -12.416 23.238 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.880 -14.118 23.642 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.683 -12.857 21.000 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.528 -14.144 21.283 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.098 -14.676 20.517 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.205 -15.778 21.545 1.00 0.00 H new ATOM 358 N GLY A 23 -7.259 -11.010 24.002 1.00 0.00 N ATOM 359 CA GLY A 23 -7.932 -9.703 23.974 1.00 0.00 C ATOM 360 C GLY A 23 -8.092 -9.099 22.580 1.00 0.00 C ATOM 361 O GLY A 23 -7.243 -9.322 21.714 1.00 0.00 O ATOM 0 H GLY A 23 -6.490 -11.065 24.670 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.919 -9.807 24.426 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.369 -9.006 24.595 1.00 0.00 H new ATOM 365 N ARG A 24 -9.184 -8.333 22.388 1.00 0.00 N ATOM 366 CA ARG A 24 -9.573 -7.755 21.081 1.00 0.00 C ATOM 367 C ARG A 24 -8.432 -6.970 20.409 1.00 0.00 C ATOM 368 O ARG A 24 -8.306 -7.008 19.188 1.00 0.00 O ATOM 369 CB ARG A 24 -10.849 -6.879 21.224 1.00 0.00 C ATOM 370 CG ARG A 24 -10.740 -5.730 22.250 1.00 0.00 C ATOM 371 CD ARG A 24 -12.010 -4.859 22.312 1.00 0.00 C ATOM 372 NE ARG A 24 -13.205 -5.631 22.706 1.00 0.00 N ATOM 373 CZ ARG A 24 -14.440 -5.119 22.843 1.00 0.00 C ATOM 374 NH1 ARG A 24 -14.658 -3.821 22.665 1.00 0.00 N ATOM 375 NH2 ARG A 24 -15.456 -5.909 23.162 1.00 0.00 N ATOM 0 H ARG A 24 -9.829 -8.094 23.142 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.797 -8.593 20.421 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.091 -6.454 20.250 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.683 -7.521 21.508 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.544 -6.149 23.237 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.887 -5.102 21.995 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.855 -4.047 23.022 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.181 -4.402 21.337 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.084 -6.627 22.888 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.884 -3.203 22.422 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.599 -3.443 22.771 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.301 -6.907 23.304 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.393 -5.519 23.266 1.00 0.00 H new ATOM 389 N LEU A 25 -7.606 -6.273 21.213 1.00 0.00 N ATOM 390 CA LEU A 25 -6.454 -5.503 20.694 1.00 0.00 C ATOM 391 C LEU A 25 -5.415 -6.437 20.027 1.00 0.00 C ATOM 392 O LEU A 25 -4.914 -6.135 18.944 1.00 0.00 O ATOM 393 CB LEU A 25 -5.836 -4.599 21.814 1.00 0.00 C ATOM 394 CG LEU A 25 -5.413 -5.278 23.180 1.00 0.00 C ATOM 395 CD1 LEU A 25 -4.001 -5.917 23.138 1.00 0.00 C ATOM 396 CD2 LEU A 25 -5.520 -4.282 24.362 1.00 0.00 C ATOM 0 H LEU A 25 -7.714 -6.226 22.226 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.807 -4.830 19.913 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.954 -4.111 21.398 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.557 -3.814 22.042 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.121 -6.091 23.337 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.775 -6.364 24.106 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.973 -6.687 22.367 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.261 -5.150 22.911 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.223 -4.780 25.285 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.864 -3.431 24.181 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.549 -3.934 24.453 1.00 0.00 H new ATOM 408 N GLN A 26 -5.169 -7.600 20.664 1.00 0.00 N ATOM 409 CA GLN A 26 -4.197 -8.610 20.184 1.00 0.00 C ATOM 410 C GLN A 26 -4.714 -9.290 18.901 1.00 0.00 C ATOM 411 O GLN A 26 -3.984 -9.387 17.911 1.00 0.00 O ATOM 412 CB GLN A 26 -3.919 -9.659 21.302 1.00 0.00 C ATOM 413 CG GLN A 26 -2.971 -10.816 20.911 1.00 0.00 C ATOM 414 CD GLN A 26 -1.577 -10.356 20.464 1.00 0.00 C ATOM 415 OE1 GLN A 26 -1.329 -10.123 19.278 1.00 0.00 O ATOM 416 NE2 GLN A 26 -0.662 -10.210 21.410 1.00 0.00 N ATOM 0 H GLN A 26 -5.639 -7.868 21.529 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.259 -8.111 19.943 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.496 -9.142 22.164 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.870 -10.085 21.621 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.865 -11.489 21.762 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.428 -11.391 20.106 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.897 -10.410 22.382 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.278 -9.897 21.167 1.00 0.00 H new ATOM 425 N LEU A 27 -5.988 -9.734 18.934 1.00 0.00 N ATOM 426 CA LEU A 27 -6.665 -10.347 17.768 1.00 0.00 C ATOM 427 C LEU A 27 -6.648 -9.399 16.549 1.00 0.00 C ATOM 428 O LEU A 27 -6.331 -9.824 15.445 1.00 0.00 O ATOM 429 CB LEU A 27 -8.126 -10.725 18.109 1.00 0.00 C ATOM 430 CG LEU A 27 -8.337 -11.966 19.021 1.00 0.00 C ATOM 431 CD1 LEU A 27 -9.822 -12.106 19.425 1.00 0.00 C ATOM 432 CD2 LEU A 27 -7.825 -13.254 18.333 1.00 0.00 C ATOM 0 H LEU A 27 -6.576 -9.679 19.766 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.114 -11.253 17.515 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.595 -9.867 18.590 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.659 -10.897 17.174 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.753 -11.819 19.930 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.945 -12.981 20.063 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.137 -11.215 19.968 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.433 -12.221 18.530 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.985 -14.107 18.993 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.368 -13.409 17.401 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.761 -13.154 18.120 1.00 0.00 H new ATOM 444 N HIS A 28 -6.988 -8.110 16.785 1.00 0.00 N ATOM 445 CA HIS A 28 -6.998 -7.060 15.734 1.00 0.00 C ATOM 446 C HIS A 28 -5.616 -6.953 15.058 1.00 0.00 C ATOM 447 O HIS A 28 -5.535 -6.899 13.839 1.00 0.00 O ATOM 448 CB HIS A 28 -7.448 -5.681 16.319 1.00 0.00 C ATOM 449 CG HIS A 28 -8.946 -5.474 16.379 1.00 0.00 C ATOM 450 ND1 HIS A 28 -9.618 -5.153 17.536 1.00 0.00 N ATOM 451 CD2 HIS A 28 -9.885 -5.486 15.402 1.00 0.00 C ATOM 452 CE1 HIS A 28 -10.899 -4.976 17.272 1.00 0.00 C ATOM 453 NE2 HIS A 28 -11.093 -5.165 15.979 1.00 0.00 N ATOM 0 H HIS A 28 -7.263 -7.767 17.706 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.725 -7.349 14.974 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.041 -5.579 17.325 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.010 -4.886 15.716 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -9.191 -5.065 18.458 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.716 -5.708 14.359 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.661 -4.719 17.993 1.00 0.00 H new ATOM 462 N GLU A 29 -4.538 -6.976 15.860 1.00 0.00 N ATOM 463 CA GLU A 29 -3.150 -6.920 15.342 1.00 0.00 C ATOM 464 C GLU A 29 -2.799 -8.193 14.537 1.00 0.00 C ATOM 465 O GLU A 29 -2.109 -8.116 13.517 1.00 0.00 O ATOM 466 CB GLU A 29 -2.156 -6.703 16.511 1.00 0.00 C ATOM 467 CG GLU A 29 -2.343 -5.360 17.235 1.00 0.00 C ATOM 468 CD GLU A 29 -1.422 -5.190 18.455 1.00 0.00 C ATOM 469 OE1 GLU A 29 -1.768 -5.695 19.548 1.00 0.00 O ATOM 470 OE2 GLU A 29 -0.344 -4.556 18.331 1.00 0.00 O ATOM 0 H GLU A 29 -4.597 -7.033 16.877 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.070 -6.075 14.658 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.271 -7.514 17.231 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.138 -6.761 16.127 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.156 -4.548 16.532 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.380 -5.271 17.557 1.00 0.00 H new ATOM 477 N MET A 30 -3.307 -9.354 14.989 1.00 0.00 N ATOM 478 CA MET A 30 -3.128 -10.649 14.284 1.00 0.00 C ATOM 479 C MET A 30 -3.812 -10.621 12.896 1.00 0.00 C ATOM 480 O MET A 30 -3.320 -11.218 11.932 1.00 0.00 O ATOM 481 CB MET A 30 -3.680 -11.819 15.138 1.00 0.00 C ATOM 482 CG MET A 30 -2.886 -12.112 16.418 1.00 0.00 C ATOM 483 SD MET A 30 -1.180 -12.617 16.071 1.00 0.00 S ATOM 484 CE MET A 30 -0.568 -13.040 17.706 1.00 0.00 C ATOM 0 H MET A 30 -3.851 -9.427 15.848 1.00 0.00 H new ATOM 0 HA MET A 30 -2.060 -10.806 14.134 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.712 -11.596 15.410 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.699 -12.720 14.525 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.878 -11.223 17.049 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.388 -12.899 16.982 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.227 -13.780 17.617 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.178 -12.145 18.191 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.381 -13.452 18.304 1.00 0.00 H new ATOM 494 N ILE A 31 -4.948 -9.920 12.830 1.00 0.00 N ATOM 495 CA ILE A 31 -5.727 -9.737 11.590 1.00 0.00 C ATOM 496 C ILE A 31 -4.992 -8.805 10.599 1.00 0.00 C ATOM 497 O ILE A 31 -4.780 -9.174 9.444 1.00 0.00 O ATOM 498 CB ILE A 31 -7.161 -9.173 11.938 1.00 0.00 C ATOM 499 CG1 ILE A 31 -7.957 -10.199 12.819 1.00 0.00 C ATOM 500 CG2 ILE A 31 -7.963 -8.787 10.668 1.00 0.00 C ATOM 501 CD1 ILE A 31 -9.138 -9.606 13.575 1.00 0.00 C ATOM 0 H ILE A 31 -5.361 -9.457 13.640 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.838 -10.706 11.103 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.021 -8.257 12.512 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.320 -11.003 12.178 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.272 -10.649 13.538 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.942 -8.405 10.958 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.422 -8.018 10.116 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.090 -9.666 10.036 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.628 -10.388 14.156 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.785 -8.823 14.246 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.849 -9.182 12.865 1.00 0.00 H new ATOM 513 N VAL A 32 -4.569 -7.625 11.084 1.00 0.00 N ATOM 514 CA VAL A 32 -3.978 -6.566 10.234 1.00 0.00 C ATOM 515 C VAL A 32 -2.615 -6.996 9.650 1.00 0.00 C ATOM 516 O VAL A 32 -2.321 -6.735 8.480 1.00 0.00 O ATOM 517 CB VAL A 32 -3.817 -5.214 11.020 1.00 0.00 C ATOM 518 CG1 VAL A 32 -3.196 -4.120 10.121 1.00 0.00 C ATOM 519 CG2 VAL A 32 -5.171 -4.737 11.596 1.00 0.00 C ATOM 0 H VAL A 32 -4.625 -7.375 12.071 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.673 -6.408 9.409 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.139 -5.397 11.854 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.096 -3.195 10.690 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.213 -4.444 9.780 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.841 -3.948 9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.028 -3.800 12.134 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.879 -4.583 10.782 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.562 -5.491 12.279 1.00 0.00 H new ATOM 529 N LEU A 33 -1.799 -7.672 10.476 1.00 0.00 N ATOM 530 CA LEU A 33 -0.476 -8.195 10.058 1.00 0.00 C ATOM 531 C LEU A 33 -0.610 -9.359 9.051 1.00 0.00 C ATOM 532 O LEU A 33 0.381 -9.779 8.462 1.00 0.00 O ATOM 533 CB LEU A 33 0.381 -8.600 11.300 1.00 0.00 C ATOM 534 CG LEU A 33 1.242 -7.468 11.962 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.309 -6.931 10.982 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.362 -6.326 12.517 1.00 0.00 C ATOM 0 H LEU A 33 -2.031 -7.874 11.449 1.00 0.00 H new ATOM 0 HA LEU A 33 0.048 -7.392 9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.289 -9.005 12.058 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.051 -9.407 11.003 1.00 0.00 H new ATOM 0 HG LEU A 33 1.763 -7.912 12.810 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.890 -6.148 11.470 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.973 -7.743 10.686 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.819 -6.522 10.098 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.997 -5.563 12.967 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.216 -5.885 11.705 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.317 -6.724 13.271 1.00 0.00 H new ATOM 548 N HIS A 34 -1.840 -9.885 8.888 1.00 0.00 N ATOM 549 CA HIS A 34 -2.195 -10.862 7.832 1.00 0.00 C ATOM 550 C HIS A 34 -2.913 -10.168 6.649 1.00 0.00 C ATOM 551 O HIS A 34 -3.601 -10.823 5.845 1.00 0.00 O ATOM 552 CB HIS A 34 -3.078 -11.975 8.455 1.00 0.00 C ATOM 553 CG HIS A 34 -2.282 -12.997 9.214 1.00 0.00 C ATOM 554 ND1 HIS A 34 -1.514 -12.697 10.320 1.00 0.00 N ATOM 555 CD2 HIS A 34 -2.070 -14.296 8.962 1.00 0.00 C ATOM 556 CE1 HIS A 34 -0.854 -13.777 10.692 1.00 0.00 C ATOM 557 NE2 HIS A 34 -1.176 -14.764 9.889 1.00 0.00 N ATOM 0 H HIS A 34 -2.626 -9.643 9.491 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.286 -11.309 7.431 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.808 -11.520 9.125 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.638 -12.473 7.664 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.464 -11.786 10.777 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.523 -14.872 8.169 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.163 -13.839 11.520 1.00 0.00 H new ATOM 566 N GLY A 35 -2.719 -8.833 6.548 1.00 0.00 N ATOM 567 CA GLY A 35 -3.321 -8.010 5.492 1.00 0.00 C ATOM 568 C GLY A 35 -4.820 -7.801 5.655 1.00 0.00 C ATOM 569 O GLY A 35 -5.476 -7.254 4.763 1.00 0.00 O ATOM 0 H GLY A 35 -2.140 -8.303 7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.828 -7.038 5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.132 -8.479 4.526 1.00 0.00 H new ATOM 573 N GLY A 36 -5.346 -8.212 6.810 1.00 0.00 N ATOM 574 CA GLY A 36 -6.778 -8.267 7.048 1.00 0.00 C ATOM 575 C GLY A 36 -7.405 -6.924 7.369 1.00 0.00 C ATOM 576 O GLY A 36 -6.717 -5.991 7.810 1.00 0.00 O ATOM 0 H GLY A 36 -4.784 -8.516 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.266 -8.682 6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.972 -8.953 7.873 1.00 0.00 H new ATOM 580 N LYS A 37 -8.731 -6.850 7.176 1.00 0.00 N ATOM 581 CA LYS A 37 -9.523 -5.650 7.462 1.00 0.00 C ATOM 582 C LYS A 37 -10.255 -5.846 8.791 1.00 0.00 C ATOM 583 O LYS A 37 -10.548 -6.985 9.189 1.00 0.00 O ATOM 584 CB LYS A 37 -10.540 -5.387 6.323 1.00 0.00 C ATOM 585 CG LYS A 37 -9.913 -5.281 4.918 1.00 0.00 C ATOM 586 CD LYS A 37 -10.969 -5.002 3.828 1.00 0.00 C ATOM 587 CE LYS A 37 -10.379 -5.001 2.411 1.00 0.00 C ATOM 588 NZ LYS A 37 -9.821 -6.327 2.033 1.00 0.00 N ATOM 0 H LYS A 37 -9.284 -7.627 6.815 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.862 -4.786 7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.277 -6.190 6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.077 -4.463 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.169 -4.484 4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.389 -6.208 4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.754 -5.756 3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.438 -4.037 4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.153 -4.718 1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.595 -4.247 2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.815 -6.224 1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.917 -6.985 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.340 -6.701 1.213 1.00 0.00 H new ATOM 602 N PHE A 38 -10.561 -4.734 9.466 1.00 0.00 N ATOM 603 CA PHE A 38 -11.155 -4.753 10.805 1.00 0.00 C ATOM 604 C PHE A 38 -12.161 -3.603 10.977 1.00 0.00 C ATOM 605 O PHE A 38 -11.975 -2.512 10.418 1.00 0.00 O ATOM 606 CB PHE A 38 -10.036 -4.679 11.886 1.00 0.00 C ATOM 607 CG PHE A 38 -9.201 -3.388 11.876 1.00 0.00 C ATOM 608 CD1 PHE A 38 -8.259 -3.148 10.876 1.00 0.00 C ATOM 609 CD2 PHE A 38 -9.362 -2.417 12.865 1.00 0.00 C ATOM 610 CE1 PHE A 38 -7.510 -1.984 10.865 1.00 0.00 C ATOM 611 CE2 PHE A 38 -8.613 -1.254 12.853 1.00 0.00 C ATOM 612 CZ PHE A 38 -7.688 -1.036 11.852 1.00 0.00 C ATOM 0 H PHE A 38 -10.404 -3.795 9.099 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.699 -5.689 10.930 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.495 -4.789 12.869 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.365 -5.528 11.751 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.112 -3.882 10.098 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.083 -2.576 13.653 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.785 -1.817 10.082 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.752 -0.515 13.628 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.105 -0.127 11.841 1.00 0.00 H new ATOM 622 N LEU A 39 -13.229 -3.869 11.754 1.00 0.00 N ATOM 623 CA LEU A 39 -14.244 -2.866 12.136 1.00 0.00 C ATOM 624 C LEU A 39 -14.479 -2.909 13.657 1.00 0.00 C ATOM 625 O LEU A 39 -14.358 -3.968 14.287 1.00 0.00 O ATOM 626 CB LEU A 39 -15.598 -3.075 11.357 1.00 0.00 C ATOM 627 CG LEU A 39 -15.885 -2.089 10.171 1.00 0.00 C ATOM 628 CD1 LEU A 39 -15.827 -0.618 10.628 1.00 0.00 C ATOM 629 CD2 LEU A 39 -14.955 -2.336 8.969 1.00 0.00 C ATOM 0 H LEU A 39 -13.414 -4.796 12.138 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.864 -1.882 11.861 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.612 -4.092 10.966 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.418 -2.997 12.071 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.902 -2.293 9.836 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.031 0.035 9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.574 -0.448 11.404 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.836 -0.399 11.024 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.192 -1.629 8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.918 -2.201 9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.095 -3.353 8.604 1.00 0.00 H new ATOM 641 N HIS A 40 -14.755 -1.733 14.240 1.00 0.00 N ATOM 642 CA HIS A 40 -15.213 -1.598 15.633 1.00 0.00 C ATOM 643 C HIS A 40 -16.694 -1.168 15.637 1.00 0.00 C ATOM 644 O HIS A 40 -17.476 -1.607 16.479 1.00 0.00 O ATOM 645 CB HIS A 40 -14.331 -0.566 16.399 1.00 0.00 C ATOM 646 CG HIS A 40 -14.443 -0.630 17.912 1.00 0.00 C ATOM 647 ND1 HIS A 40 -13.370 -0.413 18.756 1.00 0.00 N ATOM 648 CD2 HIS A 40 -15.503 -0.866 18.722 1.00 0.00 C ATOM 649 CE1 HIS A 40 -13.768 -0.522 20.011 1.00 0.00 C ATOM 650 NE2 HIS A 40 -15.062 -0.788 20.023 1.00 0.00 N ATOM 0 H HIS A 40 -14.666 -0.840 13.755 1.00 0.00 H new ATOM 0 HA HIS A 40 -15.119 -2.557 16.143 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.289 -0.721 16.119 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -14.603 0.437 16.071 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -16.513 -1.077 18.404 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.140 -0.412 20.883 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -15.637 -0.914 20.856 1.00 0.00 H new ATOM 659 N TYR A 41 -17.081 -0.357 14.644 1.00 0.00 N ATOM 660 CA TYR A 41 -18.391 0.317 14.619 1.00 0.00 C ATOM 661 C TYR A 41 -19.181 -0.170 13.403 1.00 0.00 C ATOM 662 O TYR A 41 -18.623 -0.354 12.319 1.00 0.00 O ATOM 663 CB TYR A 41 -18.205 1.860 14.599 1.00 0.00 C ATOM 664 CG TYR A 41 -17.313 2.396 13.459 1.00 0.00 C ATOM 665 CD1 TYR A 41 -15.922 2.470 13.598 1.00 0.00 C ATOM 666 CD2 TYR A 41 -17.863 2.824 12.246 1.00 0.00 C ATOM 667 CE1 TYR A 41 -15.123 2.948 12.572 1.00 0.00 C ATOM 668 CE2 TYR A 41 -17.066 3.299 11.222 1.00 0.00 C ATOM 669 CZ TYR A 41 -15.697 3.361 11.387 1.00 0.00 C ATOM 670 OH TYR A 41 -14.900 3.833 10.363 1.00 0.00 O ATOM 0 H TYR A 41 -16.497 -0.148 13.834 1.00 0.00 H new ATOM 0 HA TYR A 41 -18.952 0.070 15.520 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -19.186 2.328 14.522 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -17.777 2.171 15.552 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.463 2.149 14.522 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -18.933 2.782 12.107 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -14.052 2.997 12.700 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -17.514 3.621 10.294 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.462 4.081 9.599 1.00 0.00 H new ATOM 743 N LYS A 46 -23.716 -3.781 4.914 1.00 0.00 N ATOM 744 CA LYS A 46 -22.668 -4.812 5.109 1.00 0.00 C ATOM 745 C LYS A 46 -21.364 -4.119 5.557 1.00 0.00 C ATOM 746 O LYS A 46 -20.544 -3.709 4.725 1.00 0.00 O ATOM 747 CB LYS A 46 -22.416 -5.642 3.808 1.00 0.00 C ATOM 748 CG LYS A 46 -23.491 -6.695 3.431 1.00 0.00 C ATOM 749 CD LYS A 46 -24.886 -6.094 3.132 1.00 0.00 C ATOM 750 CE LYS A 46 -25.799 -7.076 2.384 1.00 0.00 C ATOM 751 NZ LYS A 46 -25.244 -7.420 1.043 1.00 0.00 N ATOM 0 HA LYS A 46 -23.008 -5.509 5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.315 -4.946 2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -21.460 -6.155 3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -23.151 -7.249 2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -23.583 -7.412 4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.361 -5.802 4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -24.768 -5.188 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -25.919 -7.985 2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -26.790 -6.638 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -26.004 -7.792 0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -24.839 -6.568 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -24.502 -8.141 1.149 1.00 0.00 H new ATOM 765 N THR A 47 -21.220 -3.945 6.872 1.00 0.00 N ATOM 766 CA THR A 47 -20.074 -3.240 7.471 1.00 0.00 C ATOM 767 C THR A 47 -18.885 -4.201 7.652 1.00 0.00 C ATOM 768 O THR A 47 -17.717 -3.798 7.587 1.00 0.00 O ATOM 769 CB THR A 47 -20.482 -2.631 8.852 1.00 0.00 C ATOM 770 OG1 THR A 47 -21.809 -2.092 8.761 1.00 0.00 O ATOM 771 CG2 THR A 47 -19.520 -1.513 9.295 1.00 0.00 C ATOM 0 H THR A 47 -21.893 -4.288 7.557 1.00 0.00 H new ATOM 0 HA THR A 47 -19.773 -2.435 6.801 1.00 0.00 H new ATOM 0 HB THR A 47 -20.438 -3.430 9.592 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.067 -1.711 9.626 1.00 0.00 H new ATOM 0 HG21 THR A 47 -19.841 -1.118 10.259 1.00 0.00 H new ATOM 0 HG22 THR A 47 -18.511 -1.916 9.385 1.00 0.00 H new ATOM 0 HG23 THR A 47 -19.527 -0.713 8.555 1.00 0.00 H new ATOM 779 N VAL A 48 -19.212 -5.489 7.825 1.00 0.00 N ATOM 780 CA VAL A 48 -18.250 -6.538 8.167 1.00 0.00 C ATOM 781 C VAL A 48 -18.733 -7.884 7.575 1.00 0.00 C ATOM 782 O VAL A 48 -19.887 -7.984 7.156 1.00 0.00 O ATOM 783 CB VAL A 48 -18.095 -6.601 9.736 1.00 0.00 C ATOM 784 CG1 VAL A 48 -19.393 -7.079 10.448 1.00 0.00 C ATOM 785 CG2 VAL A 48 -16.880 -7.438 10.147 1.00 0.00 C ATOM 0 H VAL A 48 -20.167 -5.833 7.729 1.00 0.00 H new ATOM 0 HA VAL A 48 -17.270 -6.321 7.742 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.920 -5.579 10.073 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.229 -7.103 11.525 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -20.207 -6.391 10.220 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.653 -8.078 10.098 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.804 -7.460 11.234 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.994 -8.455 9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.976 -6.996 9.729 1.00 0.00 H new ATOM 795 N THR A 49 -17.843 -8.899 7.467 1.00 0.00 N ATOM 796 CA THR A 49 -18.247 -10.255 7.014 1.00 0.00 C ATOM 797 C THR A 49 -18.053 -11.322 8.116 1.00 0.00 C ATOM 798 O THR A 49 -18.624 -12.412 8.026 1.00 0.00 O ATOM 799 CB THR A 49 -17.513 -10.670 5.690 1.00 0.00 C ATOM 800 OG1 THR A 49 -18.127 -11.840 5.121 1.00 0.00 O ATOM 801 CG2 THR A 49 -16.018 -10.939 5.897 1.00 0.00 C ATOM 0 H THR A 49 -16.851 -8.808 7.684 1.00 0.00 H new ATOM 0 HA THR A 49 -19.314 -10.203 6.799 1.00 0.00 H new ATOM 0 HB THR A 49 -17.607 -9.824 5.009 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.566 -12.356 5.829 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.564 -11.222 4.947 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.535 -10.038 6.276 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.890 -11.749 6.615 1.00 0.00 H new ATOM 809 N HIS A 50 -17.235 -11.013 9.143 1.00 0.00 N ATOM 810 CA HIS A 50 -16.978 -11.923 10.284 1.00 0.00 C ATOM 811 C HIS A 50 -17.069 -11.167 11.607 1.00 0.00 C ATOM 812 O HIS A 50 -16.475 -10.106 11.752 1.00 0.00 O ATOM 813 CB HIS A 50 -15.577 -12.591 10.176 1.00 0.00 C ATOM 814 CG HIS A 50 -15.484 -13.685 9.151 1.00 0.00 C ATOM 815 ND1 HIS A 50 -16.129 -14.890 9.300 1.00 0.00 N ATOM 816 CD2 HIS A 50 -14.825 -13.758 7.968 1.00 0.00 C ATOM 817 CE1 HIS A 50 -15.867 -15.658 8.266 1.00 0.00 C ATOM 818 NE2 HIS A 50 -15.079 -14.998 7.440 1.00 0.00 N ATOM 0 H HIS A 50 -16.733 -10.127 9.207 1.00 0.00 H new ATOM 0 HA HIS A 50 -17.741 -12.701 10.253 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.840 -11.824 9.937 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -15.308 -13.000 11.150 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -16.719 -15.148 10.091 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.215 -12.985 7.525 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -16.236 -16.662 8.118 1.00 0.00 H new ATOM 827 N ILE A 51 -17.810 -11.726 12.569 1.00 0.00 N ATOM 828 CA ILE A 51 -17.864 -11.214 13.943 1.00 0.00 C ATOM 829 C ILE A 51 -17.257 -12.261 14.882 1.00 0.00 C ATOM 830 O ILE A 51 -17.618 -13.429 14.823 1.00 0.00 O ATOM 831 CB ILE A 51 -19.330 -10.866 14.382 1.00 0.00 C ATOM 832 CG1 ILE A 51 -19.928 -9.746 13.465 1.00 0.00 C ATOM 833 CG2 ILE A 51 -19.395 -10.469 15.883 1.00 0.00 C ATOM 834 CD1 ILE A 51 -21.330 -9.292 13.841 1.00 0.00 C ATOM 0 H ILE A 51 -18.392 -12.550 12.416 1.00 0.00 H new ATOM 0 HA ILE A 51 -17.292 -10.288 13.993 1.00 0.00 H new ATOM 0 HB ILE A 51 -19.940 -11.761 14.262 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.263 -8.883 13.490 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -19.942 -10.108 12.437 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -20.425 -10.234 16.153 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -19.039 -11.298 16.494 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -18.767 -9.595 16.056 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -21.659 -8.516 13.150 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -22.014 -10.139 13.787 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -21.324 -8.895 14.856 1.00 0.00 H new ATOM 846 N VAL A 52 -16.326 -11.829 15.728 1.00 0.00 N ATOM 847 CA VAL A 52 -15.659 -12.683 16.715 1.00 0.00 C ATOM 848 C VAL A 52 -16.424 -12.624 18.041 1.00 0.00 C ATOM 849 O VAL A 52 -16.713 -11.537 18.545 1.00 0.00 O ATOM 850 CB VAL A 52 -14.171 -12.223 16.896 1.00 0.00 C ATOM 851 CG1 VAL A 52 -13.469 -12.929 18.067 1.00 0.00 C ATOM 852 CG2 VAL A 52 -13.389 -12.432 15.589 1.00 0.00 C ATOM 0 H VAL A 52 -16.006 -10.861 15.750 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.653 -13.716 16.368 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.191 -11.161 17.140 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.442 -12.571 18.145 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.000 -12.712 18.994 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.466 -14.005 17.894 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.357 -12.109 15.727 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.406 -13.488 15.320 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.849 -11.847 14.792 1.00 0.00 H new ATOM 862 N ALA A 53 -16.747 -13.801 18.593 1.00 0.00 N ATOM 863 CA ALA A 53 -17.529 -13.919 19.828 1.00 0.00 C ATOM 864 C ALA A 53 -17.082 -15.149 20.632 1.00 0.00 C ATOM 865 O ALA A 53 -16.679 -16.163 20.058 1.00 0.00 O ATOM 866 CB ALA A 53 -19.023 -13.999 19.488 1.00 0.00 C ATOM 0 H ALA A 53 -16.472 -14.699 18.194 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.358 -13.037 20.445 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.601 -14.087 20.408 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.324 -13.097 18.955 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.207 -14.870 18.859 1.00 0.00 H new ATOM 872 N SER A 54 -17.153 -15.037 21.965 1.00 0.00 N ATOM 873 CA SER A 54 -16.871 -16.157 22.889 1.00 0.00 C ATOM 874 C SER A 54 -18.182 -16.916 23.155 1.00 0.00 C ATOM 875 O SER A 54 -18.199 -18.141 23.333 1.00 0.00 O ATOM 876 CB SER A 54 -16.261 -15.607 24.202 1.00 0.00 C ATOM 877 OG SER A 54 -15.950 -16.645 25.123 1.00 0.00 O ATOM 0 H SER A 54 -17.407 -14.170 22.439 1.00 0.00 H new ATOM 0 HA SER A 54 -16.149 -16.845 22.449 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.357 -15.043 23.973 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.962 -14.911 24.663 1.00 0.00 H new ATOM 0 HG SER A 54 -15.566 -16.256 25.937 1.00 0.00 H new ATOM 883 N ASN A 55 -19.267 -16.135 23.184 1.00 0.00 N ATOM 884 CA ASN A 55 -20.645 -16.620 23.278 1.00 0.00 C ATOM 885 C ASN A 55 -21.523 -15.658 22.457 1.00 0.00 C ATOM 886 O ASN A 55 -21.269 -14.442 22.453 1.00 0.00 O ATOM 887 CB ASN A 55 -21.104 -16.667 24.767 1.00 0.00 C ATOM 888 CG ASN A 55 -22.429 -17.405 25.015 1.00 0.00 C ATOM 889 OD1 ASN A 55 -23.293 -17.506 24.143 1.00 0.00 O ATOM 890 ND2 ASN A 55 -22.616 -17.892 26.234 1.00 0.00 N ATOM 0 H ASN A 55 -19.207 -15.118 23.141 1.00 0.00 H new ATOM 0 HA ASN A 55 -20.729 -17.634 22.886 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -20.323 -17.146 25.357 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -21.200 -15.645 25.134 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -23.491 -18.363 26.467 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -21.885 -17.796 26.939 1.00 0.00 H new ATOM 897 N LEU A 56 -22.534 -16.191 21.755 1.00 0.00 N ATOM 898 CA LEU A 56 -23.443 -15.388 20.917 1.00 0.00 C ATOM 899 C LEU A 56 -24.855 -16.051 20.964 1.00 0.00 C ATOM 900 O LEU A 56 -25.032 -17.140 20.410 1.00 0.00 O ATOM 901 CB LEU A 56 -22.859 -15.272 19.455 1.00 0.00 C ATOM 902 CG LEU A 56 -23.054 -13.904 18.705 1.00 0.00 C ATOM 903 CD1 LEU A 56 -24.515 -13.653 18.318 1.00 0.00 C ATOM 904 CD2 LEU A 56 -22.500 -12.718 19.534 1.00 0.00 C ATOM 0 H LEU A 56 -22.746 -17.189 21.751 1.00 0.00 H new ATOM 0 HA LEU A 56 -23.536 -14.368 21.290 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.790 -15.481 19.501 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.311 -16.056 18.848 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.480 -13.976 17.781 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.596 -12.696 17.803 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -24.859 -14.450 17.659 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -25.131 -13.635 19.217 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -22.652 -11.788 18.985 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -23.023 -12.665 20.489 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -21.435 -12.865 19.712 1.00 0.00 H new ATOM 916 N PRO A 57 -25.864 -15.431 21.677 1.00 0.00 N ATOM 917 CA PRO A 57 -27.222 -16.032 21.868 1.00 0.00 C ATOM 918 C PRO A 57 -28.042 -16.103 20.560 1.00 0.00 C ATOM 919 O PRO A 57 -27.761 -15.363 19.619 1.00 0.00 O ATOM 920 CB PRO A 57 -27.885 -15.092 22.906 1.00 0.00 C ATOM 921 CG PRO A 57 -27.207 -13.776 22.706 1.00 0.00 C ATOM 922 CD PRO A 57 -25.767 -14.102 22.355 1.00 0.00 C ATOM 0 HA PRO A 57 -27.166 -17.070 22.196 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -28.960 -15.014 22.741 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -27.744 -15.461 23.922 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -27.685 -13.207 21.908 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -27.261 -13.167 23.608 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -25.333 -13.348 21.699 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -25.138 -14.150 23.244 1.00 0.00 H new ATOM 930 N LEU A 58 -29.063 -16.997 20.546 1.00 0.00 N ATOM 931 CA LEU A 58 -29.922 -17.271 19.365 1.00 0.00 C ATOM 932 C LEU A 58 -30.499 -15.983 18.746 1.00 0.00 C ATOM 933 O LEU A 58 -30.396 -15.784 17.538 1.00 0.00 O ATOM 934 CB LEU A 58 -31.086 -18.231 19.750 1.00 0.00 C ATOM 935 CG LEU A 58 -30.701 -19.731 19.967 1.00 0.00 C ATOM 936 CD1 LEU A 58 -31.876 -20.538 20.567 1.00 0.00 C ATOM 937 CD2 LEU A 58 -30.224 -20.369 18.640 1.00 0.00 C ATOM 0 H LEU A 58 -29.316 -17.554 21.362 1.00 0.00 H new ATOM 0 HA LEU A 58 -29.286 -17.743 18.616 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -31.548 -17.860 20.665 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -31.844 -18.181 18.968 1.00 0.00 H new ATOM 0 HG LEU A 58 -29.880 -19.761 20.683 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -31.572 -21.576 20.704 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -32.156 -20.112 21.530 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -32.729 -20.496 19.890 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -29.961 -21.413 18.812 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -31.024 -20.313 17.901 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -29.351 -19.831 18.271 1.00 0.00 H new ATOM 949 N LYS A 59 -31.091 -15.121 19.593 1.00 0.00 N ATOM 950 CA LYS A 59 -31.739 -13.861 19.145 1.00 0.00 C ATOM 951 C LYS A 59 -30.731 -12.940 18.425 1.00 0.00 C ATOM 952 O LYS A 59 -31.021 -12.410 17.345 1.00 0.00 O ATOM 953 CB LYS A 59 -32.431 -13.144 20.352 1.00 0.00 C ATOM 954 CG LYS A 59 -33.911 -13.558 20.590 1.00 0.00 C ATOM 955 CD LYS A 59 -34.107 -15.079 20.792 1.00 0.00 C ATOM 956 CE LYS A 59 -35.589 -15.479 20.912 1.00 0.00 C ATOM 957 NZ LYS A 59 -36.261 -14.822 22.066 1.00 0.00 N ATOM 0 H LYS A 59 -31.137 -15.271 20.601 1.00 0.00 H new ATOM 0 HA LYS A 59 -32.514 -14.109 18.419 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -31.860 -13.351 21.257 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -32.391 -12.067 20.189 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -34.289 -13.032 21.467 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -34.511 -13.233 19.740 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -33.658 -15.613 19.954 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -33.577 -15.393 21.691 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -36.110 -15.214 19.992 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -35.663 -16.561 21.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -37.242 -15.161 22.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -35.751 -15.054 22.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -36.260 -13.791 21.927 1.00 0.00 H new ATOM 971 N LYS A 60 -29.540 -12.790 19.025 1.00 0.00 N ATOM 972 CA LYS A 60 -28.428 -12.023 18.427 1.00 0.00 C ATOM 973 C LYS A 60 -27.845 -12.737 17.191 1.00 0.00 C ATOM 974 O LYS A 60 -27.288 -12.084 16.326 1.00 0.00 O ATOM 975 CB LYS A 60 -27.329 -11.755 19.489 1.00 0.00 C ATOM 976 CG LYS A 60 -27.745 -10.761 20.598 1.00 0.00 C ATOM 977 CD LYS A 60 -27.788 -9.295 20.103 1.00 0.00 C ATOM 978 CE LYS A 60 -28.419 -8.331 21.124 1.00 0.00 C ATOM 979 NZ LYS A 60 -29.890 -8.527 21.237 1.00 0.00 N ATOM 0 H LYS A 60 -29.318 -13.194 19.935 1.00 0.00 H new ATOM 0 HA LYS A 60 -28.823 -11.066 18.087 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -27.049 -12.701 19.952 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -26.441 -11.371 18.987 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -28.727 -11.040 20.980 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -27.045 -10.838 21.430 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -26.774 -8.964 19.878 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -28.352 -9.249 19.172 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -27.957 -8.482 22.100 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -28.211 -7.303 20.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -30.340 -7.629 21.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -30.269 -8.845 20.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -30.090 -9.245 21.963 1.00 0.00 H new ATOM 993 N ARG A 61 -27.972 -14.077 17.115 1.00 0.00 N ATOM 994 CA ARG A 61 -27.514 -14.862 15.939 1.00 0.00 C ATOM 995 C ARG A 61 -28.461 -14.667 14.743 1.00 0.00 C ATOM 996 O ARG A 61 -28.050 -14.838 13.602 1.00 0.00 O ATOM 997 CB ARG A 61 -27.331 -16.378 16.268 1.00 0.00 C ATOM 998 CG ARG A 61 -26.086 -16.679 17.134 1.00 0.00 C ATOM 999 CD ARG A 61 -25.669 -18.159 17.150 1.00 0.00 C ATOM 1000 NE ARG A 61 -26.512 -19.030 17.996 1.00 0.00 N ATOM 1001 CZ ARG A 61 -26.552 -20.377 17.895 1.00 0.00 C ATOM 1002 NH1 ARG A 61 -26.023 -21.000 16.845 1.00 0.00 N ATOM 1003 NH2 ARG A 61 -27.146 -21.092 18.834 1.00 0.00 N ATOM 0 H ARG A 61 -28.388 -14.644 17.854 1.00 0.00 H new ATOM 0 HA ARG A 61 -26.531 -14.478 15.666 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -28.219 -16.738 16.787 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -27.258 -16.937 15.335 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -25.251 -16.082 16.768 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -26.283 -16.358 18.157 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -25.689 -18.539 16.129 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -24.638 -18.228 17.496 1.00 0.00 H new ATOM 0 HE ARG A 61 -27.101 -18.586 18.701 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -25.579 -20.460 16.102 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -26.061 -22.017 16.783 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -27.574 -20.627 19.635 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -27.176 -22.109 18.758 1.00 0.00 H new ATOM 1017 N ILE A 62 -29.736 -14.351 15.024 1.00 0.00 N ATOM 1018 CA ILE A 62 -30.732 -14.010 13.985 1.00 0.00 C ATOM 1019 C ILE A 62 -30.479 -12.568 13.484 1.00 0.00 C ATOM 1020 O ILE A 62 -30.576 -12.279 12.280 1.00 0.00 O ATOM 1021 CB ILE A 62 -32.198 -14.159 14.545 1.00 0.00 C ATOM 1022 CG1 ILE A 62 -32.416 -15.595 15.129 1.00 0.00 C ATOM 1023 CG2 ILE A 62 -33.260 -13.846 13.461 1.00 0.00 C ATOM 1024 CD1 ILE A 62 -33.686 -15.771 15.955 1.00 0.00 C ATOM 0 H ILE A 62 -30.108 -14.324 15.973 1.00 0.00 H new ATOM 0 HA ILE A 62 -30.626 -14.701 13.149 1.00 0.00 H new ATOM 0 HB ILE A 62 -32.322 -13.430 15.346 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -32.436 -16.307 14.304 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -31.558 -15.852 15.751 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -34.258 -13.960 13.885 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -33.130 -12.823 13.109 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -33.141 -14.535 12.625 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -33.747 -16.798 16.315 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -33.664 -15.089 16.805 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -34.556 -15.552 15.336 1.00 0.00 H new ATOM 1036 N GLU A 63 -30.132 -11.680 14.432 1.00 0.00 N ATOM 1037 CA GLU A 63 -29.739 -10.282 14.148 1.00 0.00 C ATOM 1038 C GLU A 63 -28.441 -10.232 13.314 1.00 0.00 C ATOM 1039 O GLU A 63 -28.325 -9.465 12.354 1.00 0.00 O ATOM 1040 CB GLU A 63 -29.559 -9.513 15.487 1.00 0.00 C ATOM 1041 CG GLU A 63 -30.868 -9.300 16.280 1.00 0.00 C ATOM 1042 CD GLU A 63 -30.651 -8.706 17.684 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -30.201 -7.542 17.790 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -30.925 -9.394 18.694 1.00 0.00 O ATOM 0 H GLU A 63 -30.115 -11.911 15.425 1.00 0.00 H new ATOM 0 HA GLU A 63 -30.526 -9.806 13.564 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -28.853 -10.059 16.114 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -29.113 -8.541 15.277 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -31.523 -8.639 15.713 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -31.384 -10.255 16.375 1.00 0.00 H new ATOM 1051 N PHE A 64 -27.485 -11.091 13.677 1.00 0.00 N ATOM 1052 CA PHE A 64 -26.169 -11.184 13.025 1.00 0.00 C ATOM 1053 C PHE A 64 -26.109 -12.422 12.110 1.00 0.00 C ATOM 1054 O PHE A 64 -25.038 -12.950 11.862 1.00 0.00 O ATOM 1055 CB PHE A 64 -25.035 -11.226 14.094 1.00 0.00 C ATOM 1056 CG PHE A 64 -24.958 -10.001 15.017 1.00 0.00 C ATOM 1057 CD1 PHE A 64 -24.975 -8.704 14.497 1.00 0.00 C ATOM 1058 CD2 PHE A 64 -24.857 -10.147 16.404 1.00 0.00 C ATOM 1059 CE1 PHE A 64 -24.891 -7.600 15.331 1.00 0.00 C ATOM 1060 CE2 PHE A 64 -24.774 -9.043 17.236 1.00 0.00 C ATOM 1061 CZ PHE A 64 -24.795 -7.769 16.699 1.00 0.00 C ATOM 0 H PHE A 64 -27.602 -11.753 14.444 1.00 0.00 H new ATOM 0 HA PHE A 64 -26.021 -10.298 12.407 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -25.171 -12.116 14.709 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -24.079 -11.335 13.582 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -25.055 -8.560 13.430 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -24.843 -11.138 16.834 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -24.901 -6.605 14.910 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -24.693 -9.177 18.305 1.00 0.00 H new ATOM 0 HZ PHE A 64 -24.736 -6.908 17.348 1.00 0.00 H new ATOM 1071 N ALA A 65 -27.279 -12.869 11.599 1.00 0.00 N ATOM 1072 CA ALA A 65 -27.355 -13.966 10.592 1.00 0.00 C ATOM 1073 C ALA A 65 -26.786 -13.517 9.232 1.00 0.00 C ATOM 1074 O ALA A 65 -26.448 -14.345 8.382 1.00 0.00 O ATOM 1075 CB ALA A 65 -28.809 -14.442 10.436 1.00 0.00 C ATOM 0 H ALA A 65 -28.188 -12.490 11.865 1.00 0.00 H new ATOM 0 HA ALA A 65 -26.747 -14.797 10.949 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -28.852 -15.243 9.698 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -29.176 -14.811 11.394 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -29.431 -13.610 10.105 1.00 0.00 H new ATOM 1081 N ASN A 66 -26.712 -12.191 9.044 1.00 0.00 N ATOM 1082 CA ASN A 66 -26.137 -11.564 7.842 1.00 0.00 C ATOM 1083 C ASN A 66 -24.602 -11.643 7.871 1.00 0.00 C ATOM 1084 O ASN A 66 -23.953 -11.628 6.820 1.00 0.00 O ATOM 1085 CB ASN A 66 -26.590 -10.088 7.748 1.00 0.00 C ATOM 1086 CG ASN A 66 -28.114 -9.932 7.776 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -28.773 -9.970 6.735 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -28.682 -9.788 8.972 1.00 0.00 N ATOM 0 H ASN A 66 -27.053 -11.516 9.728 1.00 0.00 H new ATOM 0 HA ASN A 66 -26.494 -12.104 6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -26.157 -9.526 8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -26.201 -9.651 6.828 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -29.696 -9.705 9.048 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -28.103 -9.761 9.811 1.00 0.00 H new ATOM 1095 N TYR A 67 -24.036 -11.721 9.098 1.00 0.00 N ATOM 1096 CA TYR A 67 -22.580 -11.743 9.335 1.00 0.00 C ATOM 1097 C TYR A 67 -22.169 -13.127 9.863 1.00 0.00 C ATOM 1098 O TYR A 67 -22.923 -13.775 10.590 1.00 0.00 O ATOM 1099 CB TYR A 67 -22.190 -10.639 10.355 1.00 0.00 C ATOM 1100 CG TYR A 67 -22.669 -9.220 9.983 1.00 0.00 C ATOM 1101 CD1 TYR A 67 -22.413 -8.677 8.720 1.00 0.00 C ATOM 1102 CD2 TYR A 67 -23.362 -8.419 10.899 1.00 0.00 C ATOM 1103 CE1 TYR A 67 -22.812 -7.393 8.392 1.00 0.00 C ATOM 1104 CE2 TYR A 67 -23.767 -7.136 10.570 1.00 0.00 C ATOM 1105 CZ TYR A 67 -23.491 -6.631 9.314 1.00 0.00 C ATOM 1106 OH TYR A 67 -23.875 -5.349 8.993 1.00 0.00 O ATOM 0 H TYR A 67 -24.585 -11.771 9.956 1.00 0.00 H new ATOM 0 HA TYR A 67 -22.058 -11.548 8.398 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.600 -10.903 11.330 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -21.105 -10.626 10.459 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.893 -9.273 7.985 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -23.585 -8.809 11.881 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.591 -6.990 7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -24.297 -6.533 11.293 1.00 0.00 H new ATOM 0 HH TYR A 67 -24.345 -4.948 9.754 1.00 0.00 H new ATOM 1116 N LYS A 68 -20.974 -13.591 9.487 1.00 0.00 N ATOM 1117 CA LYS A 68 -20.490 -14.928 9.878 1.00 0.00 C ATOM 1118 C LYS A 68 -19.820 -14.849 11.258 1.00 0.00 C ATOM 1119 O LYS A 68 -18.621 -14.547 11.362 1.00 0.00 O ATOM 1120 CB LYS A 68 -19.537 -15.525 8.787 1.00 0.00 C ATOM 1121 CG LYS A 68 -20.238 -15.937 7.463 1.00 0.00 C ATOM 1122 CD LYS A 68 -20.794 -14.741 6.644 1.00 0.00 C ATOM 1123 CE LYS A 68 -21.758 -15.174 5.527 1.00 0.00 C ATOM 1124 NZ LYS A 68 -21.108 -16.079 4.543 1.00 0.00 N ATOM 0 H LYS A 68 -20.319 -13.063 8.911 1.00 0.00 H new ATOM 0 HA LYS A 68 -21.337 -15.610 9.953 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.764 -14.791 8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -19.034 -16.398 9.202 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -19.530 -16.489 6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -21.057 -16.618 7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -21.310 -14.056 7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -19.962 -14.190 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -22.619 -15.677 5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -22.135 -14.290 5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -21.790 -16.331 3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.292 -15.597 4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.787 -16.943 5.025 1.00 0.00 H new ATOM 1138 N VAL A 69 -20.631 -15.063 12.324 1.00 0.00 N ATOM 1139 CA VAL A 69 -20.116 -15.074 13.697 1.00 0.00 C ATOM 1140 C VAL A 69 -19.336 -16.390 13.919 1.00 0.00 C ATOM 1141 O VAL A 69 -19.827 -17.486 13.611 1.00 0.00 O ATOM 1142 CB VAL A 69 -21.250 -14.866 14.795 1.00 0.00 C ATOM 1143 CG1 VAL A 69 -22.000 -13.529 14.579 1.00 0.00 C ATOM 1144 CG2 VAL A 69 -22.261 -16.031 14.861 1.00 0.00 C ATOM 0 H VAL A 69 -21.635 -15.228 12.250 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.448 -14.222 13.820 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.730 -14.840 15.753 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.768 -13.415 15.344 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -21.294 -12.701 14.647 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -22.466 -13.528 13.594 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -23.005 -15.824 15.630 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -22.756 -16.138 13.896 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.736 -16.955 15.104 1.00 0.00 H new ATOM 1154 N VAL A 70 -18.090 -16.244 14.387 1.00 0.00 N ATOM 1155 CA VAL A 70 -17.135 -17.343 14.589 1.00 0.00 C ATOM 1156 C VAL A 70 -16.456 -17.175 15.960 1.00 0.00 C ATOM 1157 O VAL A 70 -16.644 -16.158 16.644 1.00 0.00 O ATOM 1158 CB VAL A 70 -16.024 -17.403 13.445 1.00 0.00 C ATOM 1159 CG1 VAL A 70 -16.646 -17.634 12.040 1.00 0.00 C ATOM 1160 CG2 VAL A 70 -15.128 -16.132 13.450 1.00 0.00 C ATOM 0 H VAL A 70 -17.707 -15.334 14.643 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.692 -18.279 14.547 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.391 -18.262 13.669 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.854 -17.668 11.292 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -17.191 -18.578 12.034 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -17.330 -16.818 11.807 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.383 -16.209 12.658 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.746 -15.250 13.283 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.625 -16.045 14.413 1.00 0.00 H new ATOM 1170 N SER A 71 -15.675 -18.185 16.347 1.00 0.00 N ATOM 1171 CA SER A 71 -14.854 -18.146 17.563 1.00 0.00 C ATOM 1172 C SER A 71 -13.556 -17.331 17.302 1.00 0.00 C ATOM 1173 O SER A 71 -13.085 -17.282 16.158 1.00 0.00 O ATOM 1174 CB SER A 71 -14.515 -19.594 17.983 1.00 0.00 C ATOM 1175 OG SER A 71 -15.699 -20.366 18.165 1.00 0.00 O ATOM 0 H SER A 71 -15.592 -19.057 15.825 1.00 0.00 H new ATOM 0 HA SER A 71 -15.404 -17.658 18.368 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.887 -20.059 17.223 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.939 -19.582 18.908 1.00 0.00 H new ATOM 0 HG SER A 71 -16.144 -20.492 17.301 1.00 0.00 H new ATOM 1181 N PRO A 72 -12.951 -16.668 18.351 1.00 0.00 N ATOM 1182 CA PRO A 72 -11.604 -16.033 18.237 1.00 0.00 C ATOM 1183 C PRO A 72 -10.521 -17.062 17.879 1.00 0.00 C ATOM 1184 O PRO A 72 -9.508 -16.722 17.273 1.00 0.00 O ATOM 1185 CB PRO A 72 -11.361 -15.436 19.652 1.00 0.00 C ATOM 1186 CG PRO A 72 -12.297 -16.192 20.547 1.00 0.00 C ATOM 1187 CD PRO A 72 -13.520 -16.457 19.708 1.00 0.00 C ATOM 0 HA PRO A 72 -11.561 -15.285 17.445 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.324 -15.564 19.964 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.570 -14.366 19.672 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.847 -17.123 20.891 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.547 -15.612 21.435 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.068 -17.332 20.057 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.214 -15.617 19.729 1.00 0.00 H new ATOM 1195 N ASP A 73 -10.799 -18.323 18.243 1.00 0.00 N ATOM 1196 CA ASP A 73 -9.950 -19.493 17.964 1.00 0.00 C ATOM 1197 C ASP A 73 -9.722 -19.698 16.456 1.00 0.00 C ATOM 1198 O ASP A 73 -8.750 -20.337 16.072 1.00 0.00 O ATOM 1199 CB ASP A 73 -10.611 -20.752 18.568 1.00 0.00 C ATOM 1200 CG ASP A 73 -10.881 -20.601 20.071 1.00 0.00 C ATOM 1201 OD1 ASP A 73 -11.980 -20.122 20.447 1.00 0.00 O ATOM 1202 OD2 ASP A 73 -9.983 -20.908 20.881 1.00 0.00 O ATOM 0 H ASP A 73 -11.647 -18.565 18.756 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.975 -19.318 18.419 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.549 -20.951 18.050 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.966 -21.614 18.401 1.00 0.00 H new ATOM 1207 N TRP A 74 -10.643 -19.162 15.614 1.00 0.00 N ATOM 1208 CA TRP A 74 -10.460 -19.139 14.147 1.00 0.00 C ATOM 1209 C TRP A 74 -9.208 -18.322 13.788 1.00 0.00 C ATOM 1210 O TRP A 74 -8.362 -18.765 13.006 1.00 0.00 O ATOM 1211 CB TRP A 74 -11.710 -18.557 13.418 1.00 0.00 C ATOM 1212 CG TRP A 74 -11.560 -18.521 11.905 1.00 0.00 C ATOM 1213 CD1 TRP A 74 -11.221 -19.569 11.093 1.00 0.00 C ATOM 1214 CD2 TRP A 74 -11.736 -17.391 11.031 1.00 0.00 C ATOM 1215 NE1 TRP A 74 -11.152 -19.157 9.795 1.00 0.00 N ATOM 1216 CE2 TRP A 74 -11.469 -17.833 9.724 1.00 0.00 C ATOM 1217 CE3 TRP A 74 -12.084 -16.050 11.229 1.00 0.00 C ATOM 1218 CZ2 TRP A 74 -11.542 -16.986 8.620 1.00 0.00 C ATOM 1219 CZ3 TRP A 74 -12.163 -15.213 10.135 1.00 0.00 C ATOM 1220 CH2 TRP A 74 -11.890 -15.684 8.842 1.00 0.00 C ATOM 0 H TRP A 74 -11.517 -18.742 15.930 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.332 -20.168 13.810 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -12.584 -19.155 13.676 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -11.897 -17.547 13.782 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.035 -20.578 11.432 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -10.902 -19.747 9.001 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -12.287 -15.676 12.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -11.331 -17.346 7.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -12.439 -14.179 10.276 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.956 -15.004 8.006 1.00 0.00 H new ATOM 1231 N ILE A 75 -9.104 -17.141 14.418 1.00 0.00 N ATOM 1232 CA ILE A 75 -8.018 -16.180 14.173 1.00 0.00 C ATOM 1233 C ILE A 75 -6.713 -16.729 14.778 1.00 0.00 C ATOM 1234 O ILE A 75 -5.687 -16.778 14.102 1.00 0.00 O ATOM 1235 CB ILE A 75 -8.333 -14.731 14.751 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -9.611 -14.087 14.094 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -7.115 -13.782 14.578 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -10.940 -14.715 14.480 1.00 0.00 C ATOM 0 H ILE A 75 -9.776 -16.824 15.117 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.914 -16.064 13.094 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.536 -14.861 15.814 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.639 -13.030 14.359 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.506 -14.141 13.010 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.359 -12.799 14.982 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.257 -14.191 15.112 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.873 -13.689 13.519 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.750 -14.194 13.970 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.944 -15.765 14.189 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.080 -14.637 15.558 1.00 0.00 H new ATOM 1250 N VAL A 76 -6.807 -17.202 16.036 1.00 0.00 N ATOM 1251 CA VAL A 76 -5.665 -17.753 16.801 1.00 0.00 C ATOM 1252 C VAL A 76 -4.976 -18.888 16.023 1.00 0.00 C ATOM 1253 O VAL A 76 -3.760 -18.864 15.807 1.00 0.00 O ATOM 1254 CB VAL A 76 -6.127 -18.305 18.206 1.00 0.00 C ATOM 1255 CG1 VAL A 76 -4.940 -18.882 19.020 1.00 0.00 C ATOM 1256 CG2 VAL A 76 -6.869 -17.219 19.013 1.00 0.00 C ATOM 0 H VAL A 76 -7.684 -17.214 16.557 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.960 -16.935 16.952 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.821 -19.124 18.016 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.302 -19.251 19.980 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.483 -19.701 18.465 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.200 -18.100 19.188 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.176 -17.627 19.976 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.206 -16.369 19.174 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.750 -16.893 18.460 1.00 0.00 H new ATOM 1266 N ASP A 77 -5.800 -19.841 15.568 1.00 0.00 N ATOM 1267 CA ASP A 77 -5.331 -21.077 14.932 1.00 0.00 C ATOM 1268 C ASP A 77 -4.741 -20.798 13.549 1.00 0.00 C ATOM 1269 O ASP A 77 -3.651 -21.253 13.255 1.00 0.00 O ATOM 1270 CB ASP A 77 -6.483 -22.104 14.832 1.00 0.00 C ATOM 1271 CG ASP A 77 -6.043 -23.483 14.306 1.00 0.00 C ATOM 1272 OD1 ASP A 77 -5.128 -24.091 14.902 1.00 0.00 O ATOM 1273 OD2 ASP A 77 -6.643 -23.986 13.337 1.00 0.00 O ATOM 0 H ASP A 77 -6.816 -19.775 15.632 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.541 -21.497 15.555 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.933 -22.228 15.817 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.257 -21.705 14.176 1.00 0.00 H new ATOM 1278 N SER A 78 -5.458 -20.015 12.728 1.00 0.00 N ATOM 1279 CA SER A 78 -5.048 -19.735 11.336 1.00 0.00 C ATOM 1280 C SER A 78 -3.702 -18.975 11.285 1.00 0.00 C ATOM 1281 O SER A 78 -2.817 -19.323 10.494 1.00 0.00 O ATOM 1282 CB SER A 78 -6.154 -18.950 10.610 1.00 0.00 C ATOM 1283 OG SER A 78 -6.414 -17.724 11.259 1.00 0.00 O ATOM 0 H SER A 78 -6.329 -19.561 13.003 1.00 0.00 H new ATOM 0 HA SER A 78 -4.900 -20.686 10.824 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.855 -18.763 9.579 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.065 -19.547 10.575 1.00 0.00 H new ATOM 0 HG SER A 78 -6.706 -17.060 10.600 1.00 0.00 H new ATOM 1289 N VAL A 79 -3.566 -17.958 12.157 1.00 0.00 N ATOM 1290 CA VAL A 79 -2.315 -17.190 12.346 1.00 0.00 C ATOM 1291 C VAL A 79 -1.161 -18.122 12.782 1.00 0.00 C ATOM 1292 O VAL A 79 -0.037 -18.025 12.277 1.00 0.00 O ATOM 1293 CB VAL A 79 -2.531 -16.035 13.408 1.00 0.00 C ATOM 1294 CG1 VAL A 79 -1.206 -15.358 13.841 1.00 0.00 C ATOM 1295 CG2 VAL A 79 -3.516 -14.978 12.865 1.00 0.00 C ATOM 0 H VAL A 79 -4.327 -17.641 12.757 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.043 -16.736 11.393 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.953 -16.504 14.296 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.418 -14.575 14.569 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.547 -16.102 14.289 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.719 -14.920 12.969 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.652 -14.192 13.608 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.116 -14.545 11.948 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.476 -15.449 12.655 1.00 0.00 H new ATOM 1305 N LYS A 80 -1.480 -19.038 13.706 1.00 0.00 N ATOM 1306 CA LYS A 80 -0.522 -20.013 14.270 1.00 0.00 C ATOM 1307 C LYS A 80 -0.088 -21.068 13.223 1.00 0.00 C ATOM 1308 O LYS A 80 1.056 -21.532 13.234 1.00 0.00 O ATOM 1309 CB LYS A 80 -1.176 -20.677 15.509 1.00 0.00 C ATOM 1310 CG LYS A 80 -0.370 -21.802 16.188 1.00 0.00 C ATOM 1311 CD LYS A 80 -1.066 -22.332 17.470 1.00 0.00 C ATOM 1312 CE LYS A 80 -2.509 -22.811 17.209 1.00 0.00 C ATOM 1313 NZ LYS A 80 -2.565 -23.896 16.201 1.00 0.00 N ATOM 0 H LYS A 80 -2.420 -19.128 14.091 1.00 0.00 H new ATOM 0 HA LYS A 80 0.389 -19.494 14.568 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.371 -19.901 16.250 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.143 -21.082 15.210 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.233 -22.624 15.485 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.623 -21.432 16.443 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.483 -23.156 17.881 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.080 -21.544 18.223 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.948 -23.162 18.143 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.113 -21.970 16.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.544 -24.012 15.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.954 -23.653 15.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.237 -24.785 16.629 1.00 0.00 H new ATOM 1327 N GLU A 81 -1.010 -21.416 12.317 1.00 0.00 N ATOM 1328 CA GLU A 81 -0.780 -22.424 11.264 1.00 0.00 C ATOM 1329 C GLU A 81 -0.247 -21.780 9.967 1.00 0.00 C ATOM 1330 O GLU A 81 0.172 -22.498 9.049 1.00 0.00 O ATOM 1331 CB GLU A 81 -2.088 -23.208 10.969 1.00 0.00 C ATOM 1332 CG GLU A 81 -2.669 -24.004 12.161 1.00 0.00 C ATOM 1333 CD GLU A 81 -1.665 -24.980 12.790 1.00 0.00 C ATOM 1334 OE1 GLU A 81 -1.396 -26.046 12.193 1.00 0.00 O ATOM 1335 OE2 GLU A 81 -1.140 -24.690 13.889 1.00 0.00 O ATOM 0 H GLU A 81 -1.944 -21.006 12.290 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.022 -23.116 11.632 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.844 -22.503 10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.899 -23.901 10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.011 -23.304 12.924 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.544 -24.561 11.825 1.00 0.00 H new ATOM 1342 N ALA A 82 -0.300 -20.424 9.901 1.00 0.00 N ATOM 1343 CA ALA A 82 0.129 -19.618 8.725 1.00 0.00 C ATOM 1344 C ALA A 82 -0.688 -19.955 7.450 1.00 0.00 C ATOM 1345 O ALA A 82 -0.260 -19.659 6.324 1.00 0.00 O ATOM 1346 CB ALA A 82 1.651 -19.751 8.486 1.00 0.00 C ATOM 0 H ALA A 82 -0.646 -19.852 10.672 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.081 -18.574 8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.937 -19.152 7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.190 -19.399 9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.901 -20.796 8.302 1.00 0.00 H new ATOM 1352 N ARG A 83 -1.900 -20.513 7.649 1.00 0.00 N ATOM 1353 CA ARG A 83 -2.789 -20.946 6.551 1.00 0.00 C ATOM 1354 C ARG A 83 -4.253 -20.643 6.923 1.00 0.00 C ATOM 1355 O ARG A 83 -4.583 -20.531 8.109 1.00 0.00 O ATOM 1356 CB ARG A 83 -2.609 -22.466 6.268 1.00 0.00 C ATOM 1357 CG ARG A 83 -3.159 -23.391 7.382 1.00 0.00 C ATOM 1358 CD ARG A 83 -2.891 -24.884 7.129 1.00 0.00 C ATOM 1359 NE ARG A 83 -1.444 -25.179 7.112 1.00 0.00 N ATOM 1360 CZ ARG A 83 -0.734 -25.705 8.127 1.00 0.00 C ATOM 1361 NH1 ARG A 83 -1.321 -26.024 9.274 1.00 0.00 N ATOM 1362 NH2 ARG A 83 0.565 -25.902 7.981 1.00 0.00 N ATOM 0 H ARG A 83 -2.290 -20.676 8.577 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.526 -20.397 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.107 -22.711 5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.548 -22.675 6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.711 -23.106 8.334 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.234 -23.234 7.476 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.375 -25.478 7.904 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.335 -25.178 6.178 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.937 -24.965 6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.322 -25.871 9.394 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.771 -26.422 10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.023 -25.656 7.103 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.110 -26.300 8.746 1.00 0.00 H new ATOM 1376 N LEU A 84 -5.119 -20.511 5.909 1.00 0.00 N ATOM 1377 CA LEU A 84 -6.563 -20.302 6.111 1.00 0.00 C ATOM 1378 C LEU A 84 -7.193 -21.642 6.516 1.00 0.00 C ATOM 1379 O LEU A 84 -7.102 -22.621 5.772 1.00 0.00 O ATOM 1380 CB LEU A 84 -7.206 -19.707 4.807 1.00 0.00 C ATOM 1381 CG LEU A 84 -8.739 -19.307 4.814 1.00 0.00 C ATOM 1382 CD1 LEU A 84 -9.686 -20.515 4.645 1.00 0.00 C ATOM 1383 CD2 LEU A 84 -9.114 -18.484 6.065 1.00 0.00 C ATOM 0 H LEU A 84 -4.842 -20.546 4.928 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.745 -19.581 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.636 -18.818 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.060 -20.434 4.008 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.879 -18.675 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.720 -20.171 4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.480 -21.009 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.527 -21.219 5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.174 -18.231 6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.911 -19.071 6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.523 -17.569 6.089 1.00 0.00 H new ATOM 1395 N LEU A 85 -7.767 -21.694 7.723 1.00 0.00 N ATOM 1396 CA LEU A 85 -8.645 -22.799 8.151 1.00 0.00 C ATOM 1397 C LEU A 85 -10.102 -22.417 7.832 1.00 0.00 C ATOM 1398 O LEU A 85 -10.443 -21.230 7.900 1.00 0.00 O ATOM 1399 CB LEU A 85 -8.477 -23.110 9.673 1.00 0.00 C ATOM 1400 CG LEU A 85 -7.209 -23.925 10.090 1.00 0.00 C ATOM 1401 CD1 LEU A 85 -7.120 -25.271 9.346 1.00 0.00 C ATOM 1402 CD2 LEU A 85 -5.910 -23.108 9.943 1.00 0.00 C ATOM 0 H LEU A 85 -7.639 -20.974 8.434 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.369 -23.704 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.466 -22.164 10.214 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.358 -23.658 10.007 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.322 -24.148 11.151 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.225 -25.805 9.665 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.001 -25.871 9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.071 -25.091 8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.060 -23.719 10.245 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.787 -22.804 8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.964 -22.222 10.576 1.00 0.00 H new ATOM 1414 N PRO A 86 -10.981 -23.396 7.437 1.00 0.00 N ATOM 1415 CA PRO A 86 -12.408 -23.107 7.158 1.00 0.00 C ATOM 1416 C PRO A 86 -13.145 -22.589 8.425 1.00 0.00 C ATOM 1417 O PRO A 86 -13.127 -23.236 9.475 1.00 0.00 O ATOM 1418 CB PRO A 86 -12.962 -24.472 6.658 1.00 0.00 C ATOM 1419 CG PRO A 86 -12.030 -25.496 7.232 1.00 0.00 C ATOM 1420 CD PRO A 86 -10.667 -24.842 7.218 1.00 0.00 C ATOM 0 HA PRO A 86 -12.550 -22.313 6.425 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -13.985 -24.633 6.999 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.978 -24.518 5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.324 -25.773 8.245 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.035 -26.410 6.638 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.022 -25.238 8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.152 -25.004 6.271 1.00 0.00 H new ATOM 1428 N TRP A 87 -13.760 -21.396 8.302 1.00 0.00 N ATOM 1429 CA TRP A 87 -14.500 -20.726 9.398 1.00 0.00 C ATOM 1430 C TRP A 87 -15.741 -21.528 9.849 1.00 0.00 C ATOM 1431 O TRP A 87 -16.243 -21.302 10.946 1.00 0.00 O ATOM 1432 CB TRP A 87 -14.873 -19.268 9.009 1.00 0.00 C ATOM 1433 CG TRP A 87 -15.548 -19.118 7.664 1.00 0.00 C ATOM 1434 CD1 TRP A 87 -16.879 -19.228 7.373 1.00 0.00 C ATOM 1435 CD2 TRP A 87 -14.896 -18.810 6.423 1.00 0.00 C ATOM 1436 NE1 TRP A 87 -17.087 -19.024 6.032 1.00 0.00 N ATOM 1437 CE2 TRP A 87 -15.883 -18.761 5.429 1.00 0.00 C ATOM 1438 CE3 TRP A 87 -13.567 -18.573 6.071 1.00 0.00 C ATOM 1439 CZ2 TRP A 87 -15.584 -18.488 4.094 1.00 0.00 C ATOM 1440 CZ3 TRP A 87 -13.264 -18.302 4.749 1.00 0.00 C ATOM 1441 CH2 TRP A 87 -14.271 -18.260 3.773 1.00 0.00 C ATOM 0 H TRP A 87 -13.759 -20.863 7.432 1.00 0.00 H new ATOM 0 HA TRP A 87 -13.830 -20.685 10.257 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -15.531 -18.860 9.776 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -13.966 -18.664 9.013 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -17.654 -19.444 8.093 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -17.990 -19.062 5.560 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -12.788 -18.601 6.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -16.358 -18.457 3.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -12.238 -18.120 4.464 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -14.006 -18.044 2.748 1.00 0.00 H new ATOM 1452 N GLN A 88 -16.226 -22.445 8.983 1.00 0.00 N ATOM 1453 CA GLN A 88 -17.340 -23.379 9.300 1.00 0.00 C ATOM 1454 C GLN A 88 -17.004 -24.276 10.516 1.00 0.00 C ATOM 1455 O GLN A 88 -17.903 -24.754 11.210 1.00 0.00 O ATOM 1456 CB GLN A 88 -17.676 -24.262 8.063 1.00 0.00 C ATOM 1457 CG GLN A 88 -16.518 -25.175 7.600 1.00 0.00 C ATOM 1458 CD GLN A 88 -16.825 -26.003 6.350 1.00 0.00 C ATOM 1459 OE1 GLN A 88 -17.621 -25.597 5.505 1.00 0.00 O ATOM 1460 NE2 GLN A 88 -16.187 -27.161 6.220 1.00 0.00 N ATOM 0 H GLN A 88 -15.857 -22.562 8.039 1.00 0.00 H new ATOM 0 HA GLN A 88 -18.211 -22.776 9.558 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -18.541 -24.883 8.298 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -17.965 -23.613 7.236 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.641 -24.558 7.405 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.258 -25.852 8.414 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -15.533 -27.467 6.941 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.351 -27.744 5.399 1.00 0.00 H new ATOM 1469 N ASN A 89 -15.694 -24.495 10.749 1.00 0.00 N ATOM 1470 CA ASN A 89 -15.183 -25.286 11.888 1.00 0.00 C ATOM 1471 C ASN A 89 -15.384 -24.504 13.214 1.00 0.00 C ATOM 1472 O ASN A 89 -15.550 -25.094 14.284 1.00 0.00 O ATOM 1473 CB ASN A 89 -13.678 -25.619 11.644 1.00 0.00 C ATOM 1474 CG ASN A 89 -13.102 -26.733 12.530 1.00 0.00 C ATOM 1475 OD1 ASN A 89 -13.528 -26.956 13.660 1.00 0.00 O ATOM 1476 ND2 ASN A 89 -12.104 -27.436 12.014 1.00 0.00 N ATOM 0 H ASN A 89 -14.956 -24.126 10.149 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.737 -26.221 11.971 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -13.551 -25.905 10.600 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.092 -24.713 11.800 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.671 -28.182 12.558 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.769 -27.231 11.073 1.00 0.00 H new ATOM 1483 N TYR A 90 -15.413 -23.161 13.112 1.00 0.00 N ATOM 1484 CA TYR A 90 -15.490 -22.243 14.277 1.00 0.00 C ATOM 1485 C TYR A 90 -16.794 -21.422 14.279 1.00 0.00 C ATOM 1486 O TYR A 90 -16.997 -20.591 15.172 1.00 0.00 O ATOM 1487 CB TYR A 90 -14.264 -21.297 14.254 1.00 0.00 C ATOM 1488 CG TYR A 90 -12.922 -22.041 14.319 1.00 0.00 C ATOM 1489 CD1 TYR A 90 -12.357 -22.396 15.545 1.00 0.00 C ATOM 1490 CD2 TYR A 90 -12.236 -22.410 13.157 1.00 0.00 C ATOM 1491 CE1 TYR A 90 -11.168 -23.087 15.612 1.00 0.00 C ATOM 1492 CE2 TYR A 90 -11.037 -23.099 13.224 1.00 0.00 C ATOM 1493 CZ TYR A 90 -10.511 -23.433 14.454 1.00 0.00 C ATOM 1494 OH TYR A 90 -9.331 -24.130 14.530 1.00 0.00 O ATOM 0 H TYR A 90 -15.384 -22.675 12.216 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.487 -22.843 15.187 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.295 -20.696 13.345 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -14.330 -20.607 15.095 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.863 -22.123 16.459 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.648 -22.153 12.192 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.752 -23.357 16.572 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.517 -23.373 12.318 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.673 -23.727 13.925 1.00 0.00 H new ATOM 1504 N SER A 91 -17.667 -21.673 13.287 1.00 0.00 N ATOM 1505 CA SER A 91 -18.890 -20.889 13.066 1.00 0.00 C ATOM 1506 C SER A 91 -19.893 -21.072 14.216 1.00 0.00 C ATOM 1507 O SER A 91 -20.454 -22.159 14.404 1.00 0.00 O ATOM 1508 CB SER A 91 -19.531 -21.288 11.717 1.00 0.00 C ATOM 1509 OG SER A 91 -19.845 -22.674 11.660 1.00 0.00 O ATOM 0 H SER A 91 -17.541 -22.429 12.614 1.00 0.00 H new ATOM 0 HA SER A 91 -18.618 -19.834 13.036 1.00 0.00 H new ATOM 0 HB2 SER A 91 -20.439 -20.705 11.562 1.00 0.00 H new ATOM 0 HB3 SER A 91 -18.849 -21.038 10.905 1.00 0.00 H new ATOM 0 HG SER A 91 -19.023 -23.191 11.528 1.00 0.00 H new ATOM 1515 N LEU A 92 -20.086 -20.001 14.999 1.00 0.00 N ATOM 1516 CA LEU A 92 -21.100 -19.963 16.054 1.00 0.00 C ATOM 1517 C LEU A 92 -22.511 -19.802 15.453 1.00 0.00 C ATOM 1518 O LEU A 92 -23.492 -20.060 16.145 1.00 0.00 O ATOM 1519 CB LEU A 92 -20.789 -18.827 17.066 1.00 0.00 C ATOM 1520 CG LEU A 92 -19.395 -18.910 17.771 1.00 0.00 C ATOM 1521 CD1 LEU A 92 -19.219 -17.762 18.788 1.00 0.00 C ATOM 1522 CD2 LEU A 92 -19.174 -20.290 18.441 1.00 0.00 C ATOM 0 H LEU A 92 -19.544 -19.141 14.917 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.074 -20.911 16.591 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -20.856 -17.872 16.544 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -21.564 -18.826 17.833 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.632 -18.797 17.001 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -18.242 -17.844 19.263 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -19.293 -16.805 18.272 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -19.998 -17.826 19.547 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.195 -20.309 18.920 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -19.948 -20.459 19.190 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.223 -21.074 17.685 1.00 0.00 H new ATOM 1534 N THR A 93 -22.575 -19.383 14.157 1.00 0.00 N ATOM 1535 CA THR A 93 -23.833 -19.205 13.386 1.00 0.00 C ATOM 1536 C THR A 93 -24.765 -20.426 13.530 1.00 0.00 C ATOM 1537 O THR A 93 -25.941 -20.295 13.905 1.00 0.00 O ATOM 1538 CB THR A 93 -23.521 -18.957 11.863 1.00 0.00 C ATOM 1539 OG1 THR A 93 -22.726 -20.038 11.342 1.00 0.00 O ATOM 1540 CG2 THR A 93 -22.771 -17.639 11.639 1.00 0.00 C ATOM 0 H THR A 93 -21.741 -19.157 13.615 1.00 0.00 H new ATOM 0 HA THR A 93 -24.342 -18.333 13.797 1.00 0.00 H new ATOM 0 HB THR A 93 -24.477 -18.902 11.342 1.00 0.00 H new ATOM 0 HG1 THR A 93 -22.537 -19.878 10.394 1.00 0.00 H new ATOM 0 HG21 THR A 93 -22.576 -17.508 10.575 1.00 0.00 H new ATOM 0 HG22 THR A 93 -23.377 -16.809 12.002 1.00 0.00 H new ATOM 0 HG23 THR A 93 -21.826 -17.662 12.181 1.00 0.00 H new ATOM 1548 N SER A 94 -24.195 -21.605 13.265 1.00 0.00 N ATOM 1549 CA SER A 94 -24.874 -22.894 13.403 1.00 0.00 C ATOM 1550 C SER A 94 -24.409 -23.576 14.719 1.00 0.00 C ATOM 1551 O SER A 94 -23.249 -24.035 14.781 1.00 0.00 O ATOM 1552 CB SER A 94 -24.589 -23.758 12.140 1.00 0.00 C ATOM 1553 OG SER A 94 -23.216 -23.708 11.769 1.00 0.00 O ATOM 1554 OXT SER A 94 -25.198 -23.621 15.693 1.00 0.00 O ATOM 0 H SER A 94 -23.231 -21.691 12.943 1.00 0.00 H new ATOM 0 HA SER A 94 -25.954 -22.765 13.470 1.00 0.00 H new ATOM 0 HB2 SER A 94 -24.877 -24.791 12.333 1.00 0.00 H new ATOM 0 HB3 SER A 94 -25.203 -23.406 11.311 1.00 0.00 H new ATOM 0 HG SER A 94 -22.657 -23.805 12.568 1.00 0.00 H new