USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 732 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 51 LYS NZ :NH3+ -150:sc= -0.0898 (180deg=0) USER MOD Set 1.2: A 100 GLN : amide:sc= 0.00885 K(o=-0.081,f=-4.2!) USER MOD Set 2.1: A 30 SER OG : rot 150:sc= -0.358 USER MOD Set 2.2: A 32 ASN : amide:sc= -2.74 K(o=-3.1,f=-9.8!) USER MOD Single : A 6 LYS NZ :NH3+ -125:sc=-0.00623 (180deg=-0.499) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= 0.0913 (180deg=-0.537) USER MOD Single : A 20 LYS NZ :NH3+ -124:sc= -0.832 (180deg=-3.06!) USER MOD Single : A 23 LYS NZ :NH3+ -113:sc= 0.127 (180deg=-0.0304) USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.433 (180deg=-0.767) USER MOD Single : A 25 LYS NZ :NH3+ 146:sc= -0.701 (180deg=-1.61!) USER MOD Single : A 26 TYR OH : rot -73:sc= 2.62 USER MOD Single : A 28 THR OG1 : rot 97:sc= 0.0695 USER MOD Single : A 31 SER OG : rot -108:sc= 0.846 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -3.14! C(o=-3.1!,f=-3.7!) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0907 USER MOD Single : A 42 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -6.85! K(o=-6.9!,f=-1.5) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 79:sc= -1.9 USER MOD Single : A 49 HIS : no HD1:sc= -0.129 K(o=-0.13,f=-0.93) USER MOD Single : A 53 MET CE :methyl 166:sc= -11.7! (180deg=-13.2!) USER MOD Single : A 58 THR OG1 : rot -70:sc= -2.73 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -55:sc= 1.18 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -9.1! C(o=-9.1!,f=-10!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot 65:sc= 1.12 USER MOD Single : A 122 GLN : amide:sc= -0.941 K(o=-0.94,f=-12!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 -12.616 -11.599 12.714 1.00 0.00 N ATOM 38 CA ILE A 3 -12.105 -10.308 13.152 1.00 0.00 C ATOM 39 C ILE A 3 -11.968 -9.348 11.973 1.00 0.00 C ATOM 40 O ILE A 3 -11.379 -9.694 10.949 1.00 0.00 O ATOM 41 CB ILE A 3 -10.735 -10.445 13.846 1.00 0.00 C ATOM 42 CG1 ILE A 3 -10.715 -11.671 14.762 1.00 0.00 C ATOM 43 CG2 ILE A 3 -10.414 -9.184 14.634 1.00 0.00 C ATOM 44 CD1 ILE A 3 -11.773 -11.635 15.844 1.00 0.00 C ATOM 0 HA ILE A 3 -12.825 -9.910 13.867 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.971 -10.579 13.080 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.855 -12.568 14.158 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.733 -11.750 15.228 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.444 -9.295 15.119 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.386 -8.330 13.958 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.182 -9.023 15.391 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.700 -12.535 16.455 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.622 -10.757 16.472 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.761 -11.587 15.386 1.00 0.00 H new ATOM 56 N PRO A 4 -12.512 -8.123 12.092 1.00 0.00 N ATOM 57 CA PRO A 4 -12.441 -7.125 11.021 1.00 0.00 C ATOM 58 C PRO A 4 -11.012 -6.681 10.735 1.00 0.00 C ATOM 59 O PRO A 4 -10.282 -6.276 11.639 1.00 0.00 O ATOM 60 CB PRO A 4 -13.268 -5.946 11.553 1.00 0.00 C ATOM 61 CG PRO A 4 -14.059 -6.496 12.692 1.00 0.00 C ATOM 62 CD PRO A 4 -13.238 -7.614 13.265 1.00 0.00 C ATOM 0 HA PRO A 4 -12.813 -7.526 10.078 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.623 -5.130 11.881 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -13.922 -5.544 10.779 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.249 -5.728 13.442 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -15.030 -6.859 12.354 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -12.557 -7.260 14.039 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -13.863 -8.383 13.718 1.00 0.00 H new ATOM 70 N ILE A 5 -10.626 -6.757 9.467 1.00 0.00 N ATOM 71 CA ILE A 5 -9.286 -6.358 9.049 1.00 0.00 C ATOM 72 C ILE A 5 -9.254 -4.887 8.630 1.00 0.00 C ATOM 73 O ILE A 5 -8.193 -4.263 8.607 1.00 0.00 O ATOM 74 CB ILE A 5 -8.777 -7.229 7.884 1.00 0.00 C ATOM 75 CG1 ILE A 5 -8.983 -8.711 8.199 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.310 -6.939 7.607 1.00 0.00 C ATOM 77 CD1 ILE A 5 -8.204 -9.187 9.405 1.00 0.00 C ATOM 0 H ILE A 5 -11.222 -7.091 8.709 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.631 -6.500 9.908 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.350 -6.984 6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -10.044 -8.894 8.367 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.691 -9.302 7.331 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.965 -7.562 6.782 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.190 -5.888 7.343 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.721 -7.159 8.498 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.399 -10.247 9.569 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.138 -9.036 9.233 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.513 -8.621 10.284 1.00 0.00 H new ATOM 89 N LYS A 6 -10.426 -4.339 8.317 1.00 0.00 N ATOM 90 CA LYS A 6 -10.551 -2.941 7.916 1.00 0.00 C ATOM 91 C LYS A 6 -11.989 -2.648 7.546 1.00 0.00 C ATOM 92 O LYS A 6 -12.473 -3.122 6.536 1.00 0.00 O ATOM 93 CB LYS A 6 -9.659 -2.617 6.708 1.00 0.00 C ATOM 94 CG LYS A 6 -8.738 -1.426 6.910 1.00 0.00 C ATOM 95 CD LYS A 6 -7.864 -1.582 8.145 1.00 0.00 C ATOM 96 CE LYS A 6 -7.412 -0.232 8.677 1.00 0.00 C ATOM 97 NZ LYS A 6 -6.305 -0.364 9.664 1.00 0.00 N ATOM 0 H LYS A 6 -11.310 -4.848 8.334 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.235 -2.325 8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.054 -3.493 6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.294 -2.427 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.105 -1.305 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.334 -0.518 7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.417 -2.114 8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.992 -2.190 7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.085 0.394 7.847 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.256 0.275 9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.572 0.109 10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.124 -1.371 9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.444 0.078 9.282 1.00 0.00 H new ATOM 111 N GLN A 7 -12.665 -1.862 8.351 1.00 0.00 N ATOM 112 CA GLN A 7 -14.050 -1.520 8.063 1.00 0.00 C ATOM 113 C GLN A 7 -14.258 -0.014 8.145 1.00 0.00 C ATOM 114 O GLN A 7 -14.164 0.580 9.218 1.00 0.00 O ATOM 115 CB GLN A 7 -14.992 -2.235 9.033 1.00 0.00 C ATOM 116 CG GLN A 7 -14.813 -1.808 10.481 1.00 0.00 C ATOM 117 CD GLN A 7 -15.496 -2.748 11.454 1.00 0.00 C ATOM 118 OE1 GLN A 7 -16.230 -3.651 11.053 1.00 0.00 O ATOM 119 NE2 GLN A 7 -15.257 -2.540 12.744 1.00 0.00 N ATOM 0 H GLN A 7 -12.289 -1.448 9.204 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.278 -1.848 7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -16.022 -2.046 8.732 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -14.830 -3.310 8.957 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.749 -1.761 10.713 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -15.213 -0.802 10.612 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.642 -1.779 13.033 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.689 -3.141 13.446 1.00 0.00 H new ATOM 128 N SER A 8 -14.537 0.600 7.002 1.00 0.00 N ATOM 129 CA SER A 8 -14.753 2.042 6.948 1.00 0.00 C ATOM 130 C SER A 8 -15.364 2.457 5.615 1.00 0.00 C ATOM 131 O SER A 8 -15.700 1.615 4.783 1.00 0.00 O ATOM 132 CB SER A 8 -13.432 2.783 7.167 1.00 0.00 C ATOM 133 OG SER A 8 -12.642 2.779 5.991 1.00 0.00 O ATOM 0 H SER A 8 -14.619 0.125 6.103 1.00 0.00 H new ATOM 0 HA SER A 8 -15.451 2.307 7.742 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.634 3.811 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.879 2.314 7.981 1.00 0.00 H new ATOM 0 HG SER A 8 -11.805 3.260 6.158 1.00 0.00 H new ATOM 139 N PHE A 9 -15.510 3.765 5.422 1.00 0.00 N ATOM 140 CA PHE A 9 -16.084 4.297 4.192 1.00 0.00 C ATOM 141 C PHE A 9 -15.030 4.401 3.096 1.00 0.00 C ATOM 142 O PHE A 9 -13.888 4.783 3.350 1.00 0.00 O ATOM 143 CB PHE A 9 -16.706 5.673 4.443 1.00 0.00 C ATOM 144 CG PHE A 9 -17.462 5.771 5.738 1.00 0.00 C ATOM 145 CD1 PHE A 9 -18.297 4.742 6.148 1.00 0.00 C ATOM 146 CD2 PHE A 9 -17.340 6.891 6.543 1.00 0.00 C ATOM 147 CE1 PHE A 9 -18.993 4.831 7.339 1.00 0.00 C ATOM 148 CE2 PHE A 9 -18.034 6.985 7.734 1.00 0.00 C ATOM 149 CZ PHE A 9 -18.861 5.953 8.132 1.00 0.00 C ATOM 0 H PHE A 9 -15.238 4.475 6.102 1.00 0.00 H new ATOM 0 HA PHE A 9 -16.861 3.608 3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -15.917 6.425 4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.380 5.912 3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -18.404 3.862 5.530 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -16.695 7.701 6.236 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -19.640 4.023 7.649 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -17.930 7.864 8.353 1.00 0.00 H new ATOM 0 HZ PHE A 9 -19.404 6.024 9.063 1.00 0.00 H new ATOM 159 N LEU A 10 -15.426 4.064 1.872 1.00 0.00 N ATOM 160 CA LEU A 10 -14.524 4.123 0.729 1.00 0.00 C ATOM 161 C LEU A 10 -15.198 4.816 -0.446 1.00 0.00 C ATOM 162 O LEU A 10 -16.423 4.868 -0.527 1.00 0.00 O ATOM 163 CB LEU A 10 -14.092 2.714 0.313 1.00 0.00 C ATOM 164 CG LEU A 10 -12.849 2.175 1.022 1.00 0.00 C ATOM 165 CD1 LEU A 10 -13.198 1.703 2.427 1.00 0.00 C ATOM 166 CD2 LEU A 10 -12.224 1.044 0.216 1.00 0.00 C ATOM 0 H LEU A 10 -16.369 3.746 1.647 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.643 4.694 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.920 2.029 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.907 2.711 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.121 2.982 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.301 1.323 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.599 2.538 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.944 0.910 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.341 0.672 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.946 0.235 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.937 1.414 -0.768 1.00 0.00 H new ATOM 178 N LEU A 11 -14.395 5.336 -1.364 1.00 0.00 N ATOM 179 CA LEU A 11 -14.932 6.010 -2.540 1.00 0.00 C ATOM 180 C LEU A 11 -15.040 5.029 -3.705 1.00 0.00 C ATOM 181 O LEU A 11 -14.120 4.254 -3.956 1.00 0.00 O ATOM 182 CB LEU A 11 -14.051 7.202 -2.923 1.00 0.00 C ATOM 183 CG LEU A 11 -14.748 8.565 -2.884 1.00 0.00 C ATOM 184 CD1 LEU A 11 -15.363 8.814 -1.516 1.00 0.00 C ATOM 185 CD2 LEU A 11 -13.768 9.673 -3.240 1.00 0.00 C ATOM 0 H LEU A 11 -13.376 5.305 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.929 6.382 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.193 7.231 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.663 7.039 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.550 8.563 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.853 9.788 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -16.096 8.037 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.581 8.796 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.279 10.635 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.945 9.675 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.376 9.504 -4.243 1.00 0.00 H new ATOM 197 N LYS A 12 -16.171 5.058 -4.406 1.00 0.00 N ATOM 198 CA LYS A 12 -16.389 4.157 -5.535 1.00 0.00 C ATOM 199 C LYS A 12 -16.721 4.931 -6.807 1.00 0.00 C ATOM 200 O LYS A 12 -17.706 5.666 -6.862 1.00 0.00 O ATOM 201 CB LYS A 12 -17.514 3.170 -5.218 1.00 0.00 C ATOM 202 CG LYS A 12 -17.808 2.198 -6.350 1.00 0.00 C ATOM 203 CD LYS A 12 -16.733 1.128 -6.465 1.00 0.00 C ATOM 204 CE LYS A 12 -15.868 1.333 -7.701 1.00 0.00 C ATOM 205 NZ LYS A 12 -16.669 1.283 -8.956 1.00 0.00 N ATOM 0 H LYS A 12 -16.947 5.692 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.464 3.606 -5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.249 2.605 -4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.421 3.728 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.776 1.725 -6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.879 2.745 -7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.105 1.145 -5.574 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.201 0.144 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.360 2.295 -7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.094 0.566 -7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.072 0.938 -9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.476 0.640 -8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.018 2.236 -9.183 1.00 0.00 H new ATOM 219 N ARG A 13 -15.890 4.749 -7.828 1.00 0.00 N ATOM 220 CA ARG A 13 -16.083 5.419 -9.111 1.00 0.00 C ATOM 221 C ARG A 13 -17.478 5.150 -9.668 1.00 0.00 C ATOM 222 O ARG A 13 -18.053 4.084 -9.445 1.00 0.00 O ATOM 223 CB ARG A 13 -15.027 4.949 -10.115 1.00 0.00 C ATOM 224 CG ARG A 13 -13.601 5.064 -9.599 1.00 0.00 C ATOM 225 CD ARG A 13 -12.658 4.116 -10.327 1.00 0.00 C ATOM 226 NE ARG A 13 -12.927 4.056 -11.764 1.00 0.00 N ATOM 227 CZ ARG A 13 -13.710 3.144 -12.342 1.00 0.00 C ATOM 228 NH1 ARG A 13 -14.313 2.211 -11.613 1.00 0.00 N ATOM 229 NH2 ARG A 13 -13.890 3.167 -13.655 1.00 0.00 N ATOM 0 H ARG A 13 -15.072 4.140 -7.792 1.00 0.00 H new ATOM 0 HA ARG A 13 -15.978 6.492 -8.949 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -15.226 3.910 -10.379 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -15.122 5.534 -11.030 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.252 6.089 -9.722 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.582 4.846 -8.531 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.629 4.437 -10.166 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.751 3.117 -9.901 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.488 4.756 -12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.179 2.188 -10.602 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.910 1.518 -12.064 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.430 3.881 -14.220 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.488 2.471 -14.100 1.00 0.00 H new ATOM 319 N LYS A 20 -13.596 11.087 -13.734 1.00 0.00 N ATOM 320 CA LYS A 20 -13.950 10.174 -12.652 1.00 0.00 C ATOM 321 C LYS A 20 -14.978 10.803 -11.716 1.00 0.00 C ATOM 322 O LYS A 20 -15.179 12.018 -11.717 1.00 0.00 O ATOM 323 CB LYS A 20 -12.699 9.768 -11.866 1.00 0.00 C ATOM 324 CG LYS A 20 -12.189 8.373 -12.205 1.00 0.00 C ATOM 325 CD LYS A 20 -13.231 7.308 -11.909 1.00 0.00 C ATOM 326 CE LYS A 20 -13.980 6.887 -13.164 1.00 0.00 C ATOM 327 NZ LYS A 20 -15.456 6.993 -12.995 1.00 0.00 N ATOM 0 HA LYS A 20 -14.394 9.283 -13.096 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.908 10.492 -12.061 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.919 9.816 -10.800 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.915 8.332 -13.259 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.285 8.167 -11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.746 6.438 -11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.940 7.687 -11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.665 7.511 -14.001 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.717 5.860 -13.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.896 6.072 -13.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.674 7.274 -12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.830 7.707 -13.652 1.00 0.00 H new ATOM 341 N GLU A 21 -15.624 9.962 -10.917 1.00 0.00 N ATOM 342 CA GLU A 21 -16.632 10.413 -9.969 1.00 0.00 C ATOM 343 C GLU A 21 -16.881 9.332 -8.928 1.00 0.00 C ATOM 344 O GLU A 21 -17.619 8.377 -9.169 1.00 0.00 O ATOM 345 CB GLU A 21 -17.934 10.764 -10.691 1.00 0.00 C ATOM 346 CG GLU A 21 -18.765 11.813 -9.969 1.00 0.00 C ATOM 347 CD GLU A 21 -19.773 12.485 -10.881 1.00 0.00 C ATOM 348 OE1 GLU A 21 -19.348 13.111 -11.874 1.00 0.00 O ATOM 349 OE2 GLU A 21 -20.985 12.386 -10.600 1.00 0.00 O ATOM 0 H GLU A 21 -15.464 8.955 -10.909 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.266 11.311 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.699 11.125 -11.692 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.530 9.859 -10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.289 11.346 -9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.103 12.568 -9.546 1.00 0.00 H new ATOM 356 N TRP A 22 -16.243 9.484 -7.779 1.00 0.00 N ATOM 357 CA TRP A 22 -16.364 8.519 -6.699 1.00 0.00 C ATOM 358 C TRP A 22 -17.425 8.944 -5.690 1.00 0.00 C ATOM 359 O TRP A 22 -17.566 10.128 -5.380 1.00 0.00 O ATOM 360 CB TRP A 22 -15.014 8.348 -5.998 1.00 0.00 C ATOM 361 CG TRP A 22 -13.864 8.196 -6.948 1.00 0.00 C ATOM 362 CD1 TRP A 22 -13.482 9.072 -7.925 1.00 0.00 C ATOM 363 CD2 TRP A 22 -12.943 7.100 -7.013 1.00 0.00 C ATOM 364 NE1 TRP A 22 -12.386 8.587 -8.593 1.00 0.00 N ATOM 365 CE2 TRP A 22 -12.037 7.380 -8.053 1.00 0.00 C ATOM 366 CE3 TRP A 22 -12.796 5.909 -6.295 1.00 0.00 C ATOM 367 CZ2 TRP A 22 -11.005 6.514 -8.390 1.00 0.00 C ATOM 368 CZ3 TRP A 22 -11.766 5.051 -6.634 1.00 0.00 C ATOM 369 CH2 TRP A 22 -10.889 5.359 -7.670 1.00 0.00 C ATOM 0 H TRP A 22 -15.631 10.273 -7.570 1.00 0.00 H new ATOM 0 HA TRP A 22 -16.673 7.567 -7.131 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -14.834 9.211 -5.357 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -15.058 7.473 -5.350 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -13.972 10.010 -8.140 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -11.909 9.051 -9.366 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.474 5.664 -5.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.319 6.745 -9.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.640 4.128 -6.087 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -10.096 4.667 -7.911 1.00 0.00 H new ATOM 380 N LYS A 23 -18.165 7.968 -5.177 1.00 0.00 N ATOM 381 CA LYS A 23 -19.213 8.230 -4.198 1.00 0.00 C ATOM 382 C LYS A 23 -18.892 7.545 -2.873 1.00 0.00 C ATOM 383 O LYS A 23 -18.149 6.564 -2.835 1.00 0.00 O ATOM 384 CB LYS A 23 -20.567 7.748 -4.726 1.00 0.00 C ATOM 385 CG LYS A 23 -21.453 8.871 -5.241 1.00 0.00 C ATOM 386 CD LYS A 23 -20.964 9.398 -6.581 1.00 0.00 C ATOM 387 CE LYS A 23 -22.050 10.179 -7.302 1.00 0.00 C ATOM 388 NZ LYS A 23 -22.012 9.955 -8.773 1.00 0.00 N ATOM 0 H LYS A 23 -18.058 6.984 -5.424 1.00 0.00 H new ATOM 0 HA LYS A 23 -19.264 9.306 -4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.400 7.030 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.091 7.219 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -22.477 8.511 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -21.472 9.683 -4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -20.096 10.038 -6.426 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.639 8.565 -7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -23.026 9.885 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -21.931 11.242 -7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.739 10.837 -9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.318 9.212 -8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -22.953 9.659 -9.104 1.00 0.00 H new ATOM 402 N LYS A 24 -19.453 8.068 -1.789 1.00 0.00 N ATOM 403 CA LYS A 24 -19.221 7.505 -0.465 1.00 0.00 C ATOM 404 C LYS A 24 -19.785 6.090 -0.365 1.00 0.00 C ATOM 405 O LYS A 24 -20.972 5.865 -0.602 1.00 0.00 O ATOM 406 CB LYS A 24 -19.846 8.398 0.609 1.00 0.00 C ATOM 407 CG LYS A 24 -18.825 9.187 1.413 1.00 0.00 C ATOM 408 CD LYS A 24 -18.534 8.526 2.750 1.00 0.00 C ATOM 409 CE LYS A 24 -19.482 9.017 3.832 1.00 0.00 C ATOM 410 NZ LYS A 24 -20.855 8.467 3.660 1.00 0.00 N ATOM 0 H LYS A 24 -20.071 8.880 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.144 7.456 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -20.538 9.093 0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.432 7.779 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -17.901 9.276 0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.195 10.199 1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.624 7.444 2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.505 8.735 3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -19.096 8.730 4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -19.522 10.106 3.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -21.371 8.533 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -21.359 9.012 2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -20.796 7.471 3.368 1.00 0.00 H new ATOM 424 N LYS A 25 -18.924 5.143 -0.009 1.00 0.00 N ATOM 425 CA LYS A 25 -19.326 3.747 0.130 1.00 0.00 C ATOM 426 C LYS A 25 -18.963 3.218 1.512 1.00 0.00 C ATOM 427 O LYS A 25 -18.455 3.954 2.357 1.00 0.00 O ATOM 428 CB LYS A 25 -18.661 2.888 -0.947 1.00 0.00 C ATOM 429 CG LYS A 25 -19.155 3.183 -2.355 1.00 0.00 C ATOM 430 CD LYS A 25 -19.609 1.919 -3.066 1.00 0.00 C ATOM 431 CE LYS A 25 -20.826 2.177 -3.939 1.00 0.00 C ATOM 432 NZ LYS A 25 -21.669 0.960 -4.092 1.00 0.00 N ATOM 0 H LYS A 25 -17.939 5.317 0.189 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.408 3.692 0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -17.583 3.044 -0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.839 1.836 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.981 3.892 -2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.359 3.657 -2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.795 1.533 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.845 1.151 -2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.422 2.979 -3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.502 2.519 -4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.670 1.236 -4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.395 0.455 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.532 0.337 -3.271 1.00 0.00 H new ATOM 446 N TYR A 26 -19.227 1.937 1.733 1.00 0.00 N ATOM 447 CA TYR A 26 -18.931 1.301 3.010 1.00 0.00 C ATOM 448 C TYR A 26 -18.332 -0.082 2.781 1.00 0.00 C ATOM 449 O TYR A 26 -18.993 -0.968 2.250 1.00 0.00 O ATOM 450 CB TYR A 26 -20.211 1.195 3.842 1.00 0.00 C ATOM 451 CG TYR A 26 -20.008 0.603 5.216 1.00 0.00 C ATOM 452 CD1 TYR A 26 -20.023 -0.772 5.411 1.00 0.00 C ATOM 453 CD2 TYR A 26 -19.812 1.420 6.322 1.00 0.00 C ATOM 454 CE1 TYR A 26 -19.849 -1.315 6.668 1.00 0.00 C ATOM 455 CE2 TYR A 26 -19.635 0.885 7.583 1.00 0.00 C ATOM 456 CZ TYR A 26 -19.655 -0.484 7.751 1.00 0.00 C ATOM 457 OH TYR A 26 -19.481 -1.022 9.005 1.00 0.00 O ATOM 0 H TYR A 26 -19.647 1.316 1.042 1.00 0.00 H new ATOM 0 HA TYR A 26 -18.205 1.907 3.552 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -20.646 2.189 3.947 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -20.934 0.586 3.300 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -20.173 -1.427 4.565 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -19.798 2.492 6.194 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -19.865 -2.386 6.803 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.482 1.534 8.432 1.00 0.00 H new ATOM 0 HH TYR A 26 -20.337 -1.365 9.335 1.00 0.00 H new ATOM 467 N VAL A 27 -17.073 -0.261 3.172 1.00 0.00 N ATOM 468 CA VAL A 27 -16.397 -1.542 2.984 1.00 0.00 C ATOM 469 C VAL A 27 -15.927 -2.131 4.301 1.00 0.00 C ATOM 470 O VAL A 27 -15.512 -1.407 5.206 1.00 0.00 O ATOM 471 CB VAL A 27 -15.163 -1.421 2.062 1.00 0.00 C ATOM 472 CG1 VAL A 27 -14.894 -2.741 1.359 1.00 0.00 C ATOM 473 CG2 VAL A 27 -15.345 -0.301 1.050 1.00 0.00 C ATOM 0 H VAL A 27 -16.504 0.458 3.618 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.139 -2.194 2.524 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.300 -1.176 2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.022 -2.638 0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.707 -3.517 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.760 -3.016 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.462 -0.238 0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.221 -0.505 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.482 0.645 1.575 1.00 0.00 H new ATOM 483 N THR A 28 -15.954 -3.454 4.385 1.00 0.00 N ATOM 484 CA THR A 28 -15.487 -4.142 5.573 1.00 0.00 C ATOM 485 C THR A 28 -14.683 -5.381 5.206 1.00 0.00 C ATOM 486 O THR A 28 -15.229 -6.379 4.730 1.00 0.00 O ATOM 487 CB THR A 28 -16.636 -4.541 6.497 1.00 0.00 C ATOM 488 OG1 THR A 28 -17.354 -3.399 6.931 1.00 0.00 O ATOM 489 CG2 THR A 28 -16.159 -5.289 7.730 1.00 0.00 C ATOM 0 H THR A 28 -16.294 -4.068 3.645 1.00 0.00 H new ATOM 0 HA THR A 28 -14.848 -3.438 6.106 1.00 0.00 H new ATOM 0 HB THR A 28 -17.277 -5.199 5.910 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.145 -3.276 6.366 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.016 -5.549 8.352 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.642 -6.199 7.426 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.477 -4.657 8.298 1.00 0.00 H new ATOM 497 N LEU A 29 -13.389 -5.317 5.467 1.00 0.00 N ATOM 498 CA LEU A 29 -12.499 -6.427 5.218 1.00 0.00 C ATOM 499 C LEU A 29 -12.468 -7.292 6.461 1.00 0.00 C ATOM 500 O LEU A 29 -12.047 -6.838 7.523 1.00 0.00 O ATOM 501 CB LEU A 29 -11.094 -5.926 4.891 1.00 0.00 C ATOM 502 CG LEU A 29 -10.468 -6.545 3.646 1.00 0.00 C ATOM 503 CD1 LEU A 29 -10.339 -8.049 3.813 1.00 0.00 C ATOM 504 CD2 LEU A 29 -11.293 -6.211 2.415 1.00 0.00 C ATOM 0 H LEU A 29 -12.931 -4.493 5.857 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.855 -7.003 4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.130 -4.844 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.445 -6.125 5.744 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.470 -6.126 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.891 -8.477 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.707 -8.267 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.326 -8.484 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.832 -6.660 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.303 -6.603 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.337 -5.129 2.289 1.00 0.00 H new ATOM 516 N SER A 30 -12.945 -8.520 6.338 1.00 0.00 N ATOM 517 CA SER A 30 -12.994 -9.428 7.475 1.00 0.00 C ATOM 518 C SER A 30 -11.916 -10.495 7.382 1.00 0.00 C ATOM 519 O SER A 30 -11.371 -10.755 6.310 1.00 0.00 O ATOM 520 CB SER A 30 -14.371 -10.090 7.563 1.00 0.00 C ATOM 521 OG SER A 30 -14.385 -11.109 8.546 1.00 0.00 O ATOM 0 H SER A 30 -13.303 -8.911 5.466 1.00 0.00 H new ATOM 0 HA SER A 30 -12.814 -8.841 8.376 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.124 -9.339 7.802 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.638 -10.512 6.594 1.00 0.00 H new ATOM 0 HG SER A 30 -15.285 -11.183 8.927 1.00 0.00 H new ATOM 527 N SER A 31 -11.622 -11.116 8.517 1.00 0.00 N ATOM 528 CA SER A 31 -10.615 -12.167 8.571 1.00 0.00 C ATOM 529 C SER A 31 -11.156 -13.483 8.002 1.00 0.00 C ATOM 530 O SER A 31 -10.458 -14.497 7.997 1.00 0.00 O ATOM 531 CB SER A 31 -10.141 -12.379 10.011 1.00 0.00 C ATOM 532 OG SER A 31 -11.020 -13.237 10.720 1.00 0.00 O ATOM 0 H SER A 31 -12.066 -10.910 9.412 1.00 0.00 H new ATOM 0 HA SER A 31 -9.770 -11.850 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.138 -12.805 10.007 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.077 -11.418 10.521 1.00 0.00 H new ATOM 0 HG SER A 31 -11.526 -12.716 11.378 1.00 0.00 H new ATOM 538 N ASN A 32 -12.403 -13.462 7.525 1.00 0.00 N ATOM 539 CA ASN A 32 -13.034 -14.650 6.958 1.00 0.00 C ATOM 540 C ASN A 32 -12.769 -14.759 5.464 1.00 0.00 C ATOM 541 O ASN A 32 -13.554 -15.357 4.727 1.00 0.00 O ATOM 542 CB ASN A 32 -14.541 -14.628 7.220 1.00 0.00 C ATOM 543 CG ASN A 32 -15.189 -13.340 6.752 1.00 0.00 C ATOM 544 OD1 ASN A 32 -14.656 -12.642 5.888 1.00 0.00 O ATOM 545 ND2 ASN A 32 -16.344 -13.016 7.321 1.00 0.00 N ATOM 0 H ASN A 32 -12.995 -12.631 7.522 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.598 -15.522 7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.008 -15.472 6.712 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.724 -14.757 8.287 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.825 -12.160 7.046 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.750 -13.623 8.033 1.00 0.00 H new ATOM 552 N GLY A 33 -11.664 -14.174 5.019 1.00 0.00 N ATOM 553 CA GLY A 33 -11.326 -14.214 3.611 1.00 0.00 C ATOM 554 C GLY A 33 -12.464 -13.721 2.746 1.00 0.00 C ATOM 555 O GLY A 33 -12.736 -14.279 1.683 1.00 0.00 O ATOM 0 H GLY A 33 -10.998 -13.674 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.442 -13.602 3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.070 -15.235 3.328 1.00 0.00 H new ATOM 559 N PHE A 34 -13.137 -12.675 3.211 1.00 0.00 N ATOM 560 CA PHE A 34 -14.261 -12.112 2.481 1.00 0.00 C ATOM 561 C PHE A 34 -14.241 -10.590 2.512 1.00 0.00 C ATOM 562 O PHE A 34 -14.247 -9.978 3.580 1.00 0.00 O ATOM 563 CB PHE A 34 -15.577 -12.620 3.070 1.00 0.00 C ATOM 564 CG PHE A 34 -16.453 -13.305 2.063 1.00 0.00 C ATOM 565 CD1 PHE A 34 -16.587 -12.798 0.783 1.00 0.00 C ATOM 566 CD2 PHE A 34 -17.136 -14.461 2.400 1.00 0.00 C ATOM 567 CE1 PHE A 34 -17.390 -13.430 -0.147 1.00 0.00 C ATOM 568 CE2 PHE A 34 -17.941 -15.099 1.476 1.00 0.00 C ATOM 569 CZ PHE A 34 -18.068 -14.584 0.201 1.00 0.00 C ATOM 0 H PHE A 34 -12.923 -12.202 4.089 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.176 -12.432 1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.360 -13.313 3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -16.121 -11.781 3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -16.058 -11.898 0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -17.039 -14.868 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -17.488 -13.024 -1.143 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -18.470 -15.999 1.751 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.696 -15.082 -0.523 1.00 0.00 H new ATOM 579 N LEU A 35 -14.241 -9.986 1.331 1.00 0.00 N ATOM 580 CA LEU A 35 -14.250 -8.536 1.216 1.00 0.00 C ATOM 581 C LEU A 35 -15.670 -8.061 0.922 1.00 0.00 C ATOM 582 O LEU A 35 -16.244 -8.410 -0.108 1.00 0.00 O ATOM 583 CB LEU A 35 -13.286 -8.092 0.109 1.00 0.00 C ATOM 584 CG LEU A 35 -13.559 -6.712 -0.497 1.00 0.00 C ATOM 585 CD1 LEU A 35 -13.682 -5.658 0.593 1.00 0.00 C ATOM 586 CD2 LEU A 35 -12.461 -6.338 -1.481 1.00 0.00 C ATOM 0 H LEU A 35 -14.235 -10.480 0.439 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.918 -8.091 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.273 -8.098 0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.315 -8.832 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.506 -6.756 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.876 -4.686 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.505 -5.918 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.754 -5.614 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.670 -5.355 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.502 -6.315 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.424 -7.076 -2.282 1.00 0.00 H new ATOM 598 N LEU A 36 -16.242 -7.285 1.838 1.00 0.00 N ATOM 599 CA LEU A 36 -17.606 -6.798 1.664 1.00 0.00 C ATOM 600 C LEU A 36 -17.649 -5.287 1.477 1.00 0.00 C ATOM 601 O LEU A 36 -16.818 -4.557 2.016 1.00 0.00 O ATOM 602 CB LEU A 36 -18.467 -7.193 2.866 1.00 0.00 C ATOM 603 CG LEU A 36 -18.178 -8.584 3.443 1.00 0.00 C ATOM 604 CD1 LEU A 36 -17.594 -8.473 4.843 1.00 0.00 C ATOM 605 CD2 LEU A 36 -19.444 -9.429 3.458 1.00 0.00 C ATOM 0 H LEU A 36 -15.788 -6.983 2.700 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.004 -7.260 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.325 -6.453 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.516 -7.149 2.572 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.444 -9.074 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.396 -9.471 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.663 -7.907 4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.304 -7.962 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.220 -10.413 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.200 -8.941 4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -19.820 -9.539 2.441 1.00 0.00 H new ATOM 617 N TYR A 37 -18.640 -4.828 0.719 1.00 0.00 N ATOM 618 CA TYR A 37 -18.820 -3.406 0.463 1.00 0.00 C ATOM 619 C TYR A 37 -20.262 -3.121 0.051 1.00 0.00 C ATOM 620 O TYR A 37 -20.816 -3.793 -0.821 1.00 0.00 O ATOM 621 CB TYR A 37 -17.824 -2.916 -0.602 1.00 0.00 C ATOM 622 CG TYR A 37 -18.404 -2.734 -1.991 1.00 0.00 C ATOM 623 CD1 TYR A 37 -18.766 -3.830 -2.761 1.00 0.00 C ATOM 624 CD2 TYR A 37 -18.577 -1.465 -2.532 1.00 0.00 C ATOM 625 CE1 TYR A 37 -19.287 -3.669 -4.032 1.00 0.00 C ATOM 626 CE2 TYR A 37 -19.096 -1.296 -3.802 1.00 0.00 C ATOM 627 CZ TYR A 37 -19.449 -2.401 -4.547 1.00 0.00 C ATOM 628 OH TYR A 37 -19.965 -2.237 -5.813 1.00 0.00 O ATOM 0 H TYR A 37 -19.334 -5.426 0.270 1.00 0.00 H new ATOM 0 HA TYR A 37 -18.617 -2.855 1.382 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.403 -1.966 -0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -16.999 -3.626 -0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.639 -4.825 -2.361 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.302 -0.597 -1.951 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.565 -4.532 -4.618 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -19.224 -0.304 -4.208 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.015 -1.281 -6.024 1.00 0.00 H new ATOM 638 N HIS A 38 -20.869 -2.128 0.694 1.00 0.00 N ATOM 639 CA HIS A 38 -22.248 -1.760 0.406 1.00 0.00 C ATOM 640 C HIS A 38 -22.331 -0.320 -0.096 1.00 0.00 C ATOM 641 O HIS A 38 -21.417 0.475 0.120 1.00 0.00 O ATOM 642 CB HIS A 38 -23.124 -1.918 1.654 1.00 0.00 C ATOM 643 CG HIS A 38 -22.718 -3.043 2.558 1.00 0.00 C ATOM 644 ND1 HIS A 38 -21.462 -3.150 3.121 1.00 0.00 N ATOM 645 CD2 HIS A 38 -23.417 -4.115 3.004 1.00 0.00 C ATOM 646 CE1 HIS A 38 -21.407 -4.236 3.870 1.00 0.00 C ATOM 647 NE2 HIS A 38 -22.579 -4.839 3.816 1.00 0.00 N ATOM 0 H HIS A 38 -20.425 -1.564 1.419 1.00 0.00 H new ATOM 0 HA HIS A 38 -22.614 -2.429 -0.373 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -23.100 -0.987 2.220 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -24.156 -2.074 1.341 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -24.443 -4.355 2.765 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -20.548 -4.573 4.431 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -22.823 -5.703 4.299 1.00 0.00 H new ATOM 656 N PRO A 39 -23.436 0.032 -0.774 1.00 0.00 N ATOM 657 CA PRO A 39 -23.639 1.384 -1.307 1.00 0.00 C ATOM 658 C PRO A 39 -23.402 2.465 -0.256 1.00 0.00 C ATOM 659 O PRO A 39 -22.930 3.557 -0.572 1.00 0.00 O ATOM 660 CB PRO A 39 -25.106 1.374 -1.742 1.00 0.00 C ATOM 661 CG PRO A 39 -25.403 -0.055 -2.037 1.00 0.00 C ATOM 662 CD PRO A 39 -24.573 -0.859 -1.074 1.00 0.00 C ATOM 0 HA PRO A 39 -22.941 1.614 -2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.755 1.759 -0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -25.263 2.001 -2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.464 -0.267 -1.909 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -25.151 -0.301 -3.069 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.134 -1.111 -0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.241 -1.798 -1.517 1.00 0.00 H new ATOM 670 N SER A 40 -23.734 2.155 0.995 1.00 0.00 N ATOM 671 CA SER A 40 -23.557 3.103 2.091 1.00 0.00 C ATOM 672 C SER A 40 -23.708 2.409 3.441 1.00 0.00 C ATOM 673 O SER A 40 -23.864 1.190 3.508 1.00 0.00 O ATOM 674 CB SER A 40 -24.569 4.244 1.975 1.00 0.00 C ATOM 675 OG SER A 40 -24.138 5.385 2.696 1.00 0.00 O ATOM 0 H SER A 40 -24.126 1.256 1.274 1.00 0.00 H new ATOM 0 HA SER A 40 -22.549 3.513 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 40 -24.709 4.505 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 40 -25.537 3.915 2.353 1.00 0.00 H new ATOM 0 HG SER A 40 -24.802 6.100 2.604 1.00 0.00 H new ATOM 681 N ILE A 41 -23.660 3.192 4.516 1.00 0.00 N ATOM 682 CA ILE A 41 -23.792 2.648 5.862 1.00 0.00 C ATOM 683 C ILE A 41 -25.166 2.012 6.059 1.00 0.00 C ATOM 684 O ILE A 41 -25.277 0.915 6.606 1.00 0.00 O ATOM 685 CB ILE A 41 -23.557 3.733 6.936 1.00 0.00 C ATOM 686 CG1 ILE A 41 -22.086 4.147 6.945 1.00 0.00 C ATOM 687 CG2 ILE A 41 -23.976 3.236 8.314 1.00 0.00 C ATOM 688 CD1 ILE A 41 -21.717 5.098 5.827 1.00 0.00 C ATOM 0 H ILE A 41 -23.531 4.203 4.480 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.027 1.881 5.977 1.00 0.00 H new ATOM 0 HB ILE A 41 -24.170 4.600 6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.855 4.617 7.901 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -21.465 3.254 6.871 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -23.800 4.019 9.052 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -25.035 2.980 8.302 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -23.392 2.353 8.575 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -20.658 5.348 5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -21.915 4.624 4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -22.311 6.008 5.912 1.00 0.00 H new ATOM 700 N ASN A 42 -26.211 2.696 5.598 1.00 0.00 N ATOM 701 CA ASN A 42 -27.571 2.177 5.718 1.00 0.00 C ATOM 702 C ASN A 42 -27.642 0.754 5.163 1.00 0.00 C ATOM 703 O ASN A 42 -28.453 -0.062 5.598 1.00 0.00 O ATOM 704 CB ASN A 42 -28.551 3.079 4.966 1.00 0.00 C ATOM 705 CG ASN A 42 -28.357 4.546 5.297 1.00 0.00 C ATOM 706 OD1 ASN A 42 -27.986 5.345 4.437 1.00 0.00 O ATOM 707 ND2 ASN A 42 -28.608 4.909 6.550 1.00 0.00 N ATOM 0 H ASN A 42 -26.143 3.605 5.141 1.00 0.00 H new ATOM 0 HA ASN A 42 -27.846 2.161 6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -28.426 2.932 3.893 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -29.572 2.786 5.211 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -28.495 5.883 6.831 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -28.914 4.214 7.231 1.00 0.00 H new ATOM 714 N ASP A 43 -26.779 0.462 4.199 1.00 0.00 N ATOM 715 CA ASP A 43 -26.737 -0.861 3.594 1.00 0.00 C ATOM 716 C ASP A 43 -26.036 -1.857 4.515 1.00 0.00 C ATOM 717 O ASP A 43 -26.447 -3.009 4.622 1.00 0.00 O ATOM 718 CB ASP A 43 -26.032 -0.802 2.240 1.00 0.00 C ATOM 719 CG ASP A 43 -26.691 0.178 1.290 1.00 0.00 C ATOM 720 OD1 ASP A 43 -26.718 1.386 1.607 1.00 0.00 O ATOM 721 OD2 ASP A 43 -27.180 -0.261 0.228 1.00 0.00 O ATOM 0 H ASP A 43 -26.100 1.122 3.820 1.00 0.00 H new ATOM 0 HA ASP A 43 -27.762 -1.200 3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -24.990 -0.517 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -26.030 -1.795 1.790 1.00 0.00 H new ATOM 726 N TYR A 44 -24.979 -1.403 5.183 1.00 0.00 N ATOM 727 CA TYR A 44 -24.228 -2.256 6.102 1.00 0.00 C ATOM 728 C TYR A 44 -25.055 -2.539 7.354 1.00 0.00 C ATOM 729 O TYR A 44 -25.228 -3.689 7.759 1.00 0.00 O ATOM 730 CB TYR A 44 -22.898 -1.583 6.474 1.00 0.00 C ATOM 731 CG TYR A 44 -22.517 -1.708 7.936 1.00 0.00 C ATOM 732 CD1 TYR A 44 -21.990 -2.891 8.438 1.00 0.00 C ATOM 733 CD2 TYR A 44 -22.684 -0.641 8.813 1.00 0.00 C ATOM 734 CE1 TYR A 44 -21.641 -3.009 9.770 1.00 0.00 C ATOM 735 CE2 TYR A 44 -22.337 -0.752 10.145 1.00 0.00 C ATOM 736 CZ TYR A 44 -21.816 -1.937 10.619 1.00 0.00 C ATOM 737 OH TYR A 44 -21.469 -2.051 11.946 1.00 0.00 O ATOM 0 H TYR A 44 -24.623 -0.450 5.106 1.00 0.00 H new ATOM 0 HA TYR A 44 -24.013 -3.205 5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -22.104 -2.016 5.866 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -22.956 -0.526 6.216 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -21.851 -3.733 7.776 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -23.092 0.289 8.446 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -21.233 -3.936 10.144 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -22.473 0.086 10.813 1.00 0.00 H new ATOM 0 HH TYR A 44 -21.654 -1.206 12.406 1.00 0.00 H new ATOM 747 N ILE A 45 -25.563 -1.470 7.952 1.00 0.00 N ATOM 748 CA ILE A 45 -26.378 -1.561 9.155 1.00 0.00 C ATOM 749 C ILE A 45 -27.627 -2.399 8.912 1.00 0.00 C ATOM 750 O ILE A 45 -27.845 -3.429 9.549 1.00 0.00 O ATOM 751 CB ILE A 45 -26.800 -0.142 9.614 1.00 0.00 C ATOM 752 CG1 ILE A 45 -25.658 0.529 10.377 1.00 0.00 C ATOM 753 CG2 ILE A 45 -28.070 -0.170 10.463 1.00 0.00 C ATOM 754 CD1 ILE A 45 -25.791 2.034 10.454 1.00 0.00 C ATOM 0 H ILE A 45 -25.422 -0.517 7.617 1.00 0.00 H new ATOM 0 HA ILE A 45 -25.780 -2.042 9.929 1.00 0.00 H new ATOM 0 HB ILE A 45 -27.022 0.441 8.720 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -25.618 0.123 11.388 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -24.713 0.279 9.895 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -28.330 0.845 10.763 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -28.887 -0.597 9.881 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -27.901 -0.779 11.351 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -24.948 2.446 11.009 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -25.801 2.450 9.447 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -26.720 2.292 10.962 1.00 0.00 H new ATOM 766 N HIS A 46 -28.448 -1.916 7.998 1.00 0.00 N ATOM 767 CA HIS A 46 -29.705 -2.557 7.649 1.00 0.00 C ATOM 768 C HIS A 46 -29.498 -3.828 6.824 1.00 0.00 C ATOM 769 O HIS A 46 -30.349 -4.716 6.824 1.00 0.00 O ATOM 770 CB HIS A 46 -30.587 -1.546 6.920 1.00 0.00 C ATOM 771 CG HIS A 46 -30.634 -0.224 7.633 1.00 0.00 C ATOM 772 ND1 HIS A 46 -31.743 0.235 8.310 1.00 0.00 N ATOM 773 CD2 HIS A 46 -29.676 0.722 7.813 1.00 0.00 C ATOM 774 CE1 HIS A 46 -31.459 1.398 8.872 1.00 0.00 C ATOM 775 NE2 HIS A 46 -30.216 1.712 8.583 1.00 0.00 N ATOM 0 H HIS A 46 -28.261 -1.062 7.473 1.00 0.00 H new ATOM 0 HA HIS A 46 -30.203 -2.878 8.564 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -30.210 -1.399 5.908 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -31.597 -1.945 6.829 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -28.671 0.696 7.419 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -32.136 1.991 9.469 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -29.733 2.558 8.885 1.00 0.00 H new ATOM 784 N SER A 47 -28.363 -3.912 6.128 1.00 0.00 N ATOM 785 CA SER A 47 -28.043 -5.081 5.304 1.00 0.00 C ATOM 786 C SER A 47 -28.815 -5.061 3.990 1.00 0.00 C ATOM 787 O SER A 47 -29.766 -5.821 3.803 1.00 0.00 O ATOM 788 CB SER A 47 -28.333 -6.384 6.060 1.00 0.00 C ATOM 789 OG SER A 47 -27.775 -6.357 7.363 1.00 0.00 O ATOM 0 H SER A 47 -27.649 -3.184 6.118 1.00 0.00 H new ATOM 0 HA SER A 47 -26.977 -5.036 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 47 -29.410 -6.537 6.126 1.00 0.00 H new ATOM 0 HB3 SER A 47 -27.925 -7.228 5.504 1.00 0.00 H new ATOM 0 HG SER A 47 -27.976 -7.199 7.823 1.00 0.00 H new ATOM 795 N THR A 48 -28.394 -4.192 3.077 1.00 0.00 N ATOM 796 CA THR A 48 -29.038 -4.077 1.774 1.00 0.00 C ATOM 797 C THR A 48 -28.030 -4.289 0.647 1.00 0.00 C ATOM 798 O THR A 48 -27.043 -3.563 0.539 1.00 0.00 O ATOM 799 CB THR A 48 -29.710 -2.712 1.624 1.00 0.00 C ATOM 800 OG1 THR A 48 -28.742 -1.683 1.528 1.00 0.00 O ATOM 801 CG2 THR A 48 -30.631 -2.372 2.775 1.00 0.00 C ATOM 0 H THR A 48 -27.609 -3.556 3.216 1.00 0.00 H new ATOM 0 HA THR A 48 -29.800 -4.854 1.708 1.00 0.00 H new ATOM 0 HB THR A 48 -30.303 -2.780 0.712 1.00 0.00 H new ATOM 0 HG1 THR A 48 -28.384 -1.655 0.616 1.00 0.00 H new ATOM 0 HG21 THR A 48 -31.076 -1.391 2.607 1.00 0.00 H new ATOM 0 HG22 THR A 48 -31.420 -3.121 2.844 1.00 0.00 H new ATOM 0 HG23 THR A 48 -30.062 -2.358 3.705 1.00 0.00 H new ATOM 809 N HIS A 49 -28.289 -5.297 -0.183 1.00 0.00 N ATOM 810 CA HIS A 49 -27.413 -5.629 -1.306 1.00 0.00 C ATOM 811 C HIS A 49 -26.184 -6.381 -0.819 1.00 0.00 C ATOM 812 O HIS A 49 -25.945 -7.526 -1.204 1.00 0.00 O ATOM 813 CB HIS A 49 -26.990 -4.364 -2.061 1.00 0.00 C ATOM 814 CG HIS A 49 -26.490 -4.633 -3.446 1.00 0.00 C ATOM 815 ND1 HIS A 49 -26.100 -5.884 -3.878 1.00 0.00 N ATOM 816 CD2 HIS A 49 -26.318 -3.801 -4.502 1.00 0.00 C ATOM 817 CE1 HIS A 49 -25.708 -5.810 -5.138 1.00 0.00 C ATOM 818 NE2 HIS A 49 -25.831 -4.559 -5.540 1.00 0.00 N ATOM 0 H HIS A 49 -29.105 -5.903 -0.098 1.00 0.00 H new ATOM 0 HA HIS A 49 -27.970 -6.270 -1.990 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -27.839 -3.683 -2.116 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -26.210 -3.856 -1.494 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -26.525 -2.741 -4.524 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.348 -6.633 -5.737 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -25.602 -4.211 -6.471 1.00 0.00 H new ATOM 827 N GLY A 50 -25.417 -5.725 0.037 1.00 0.00 N ATOM 828 CA GLY A 50 -24.215 -6.324 0.592 1.00 0.00 C ATOM 829 C GLY A 50 -23.374 -7.049 -0.442 1.00 0.00 C ATOM 830 O GLY A 50 -23.536 -8.251 -0.652 1.00 0.00 O ATOM 0 H GLY A 50 -25.606 -4.777 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.612 -5.546 1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -24.496 -7.025 1.378 1.00 0.00 H new ATOM 834 N LYS A 51 -22.468 -6.318 -1.082 1.00 0.00 N ATOM 835 CA LYS A 51 -21.594 -6.903 -2.092 1.00 0.00 C ATOM 836 C LYS A 51 -20.374 -7.548 -1.440 1.00 0.00 C ATOM 837 O LYS A 51 -19.696 -6.927 -0.622 1.00 0.00 O ATOM 838 CB LYS A 51 -21.152 -5.835 -3.096 1.00 0.00 C ATOM 839 CG LYS A 51 -21.805 -5.977 -4.461 1.00 0.00 C ATOM 840 CD LYS A 51 -21.198 -7.124 -5.253 1.00 0.00 C ATOM 841 CE LYS A 51 -21.861 -7.275 -6.612 1.00 0.00 C ATOM 842 NZ LYS A 51 -21.281 -8.403 -7.391 1.00 0.00 N ATOM 0 H LYS A 51 -22.320 -5.322 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.152 -7.675 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.384 -4.850 -2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.069 -5.884 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.875 -6.145 -4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.690 -5.048 -5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.130 -6.951 -5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.303 -8.052 -4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.930 -7.439 -6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.748 -6.349 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.347 -8.193 -8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.283 -8.529 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.807 -9.276 -7.182 1.00 0.00 H new ATOM 856 N GLU A 52 -20.102 -8.798 -1.802 1.00 0.00 N ATOM 857 CA GLU A 52 -18.966 -9.526 -1.246 1.00 0.00 C ATOM 858 C GLU A 52 -18.140 -10.178 -2.346 1.00 0.00 C ATOM 859 O GLU A 52 -18.679 -10.747 -3.295 1.00 0.00 O ATOM 860 CB GLU A 52 -19.447 -10.585 -0.251 1.00 0.00 C ATOM 861 CG GLU A 52 -20.683 -11.340 -0.713 1.00 0.00 C ATOM 862 CD GLU A 52 -20.388 -12.309 -1.841 1.00 0.00 C ATOM 863 OE1 GLU A 52 -19.746 -13.348 -1.578 1.00 0.00 O ATOM 864 OE2 GLU A 52 -20.797 -12.028 -2.987 1.00 0.00 O ATOM 0 H GLU A 52 -20.652 -9.328 -2.478 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.332 -8.810 -0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.641 -11.298 -0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -19.661 -10.104 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -21.106 -11.887 0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -21.439 -10.626 -1.041 1.00 0.00 H new ATOM 871 N MET A 53 -16.824 -10.085 -2.205 1.00 0.00 N ATOM 872 CA MET A 53 -15.903 -10.657 -3.173 1.00 0.00 C ATOM 873 C MET A 53 -14.972 -11.660 -2.493 1.00 0.00 C ATOM 874 O MET A 53 -14.255 -11.316 -1.552 1.00 0.00 O ATOM 875 CB MET A 53 -15.098 -9.538 -3.848 1.00 0.00 C ATOM 876 CG MET A 53 -13.690 -9.937 -4.267 1.00 0.00 C ATOM 877 SD MET A 53 -13.118 -9.064 -5.736 1.00 0.00 S ATOM 878 CE MET A 53 -14.013 -7.526 -5.570 1.00 0.00 C ATOM 0 H MET A 53 -16.370 -9.614 -1.422 1.00 0.00 H new ATOM 0 HA MET A 53 -16.472 -11.187 -3.937 1.00 0.00 H new ATOM 0 HB2 MET A 53 -15.642 -9.197 -4.728 1.00 0.00 H new ATOM 0 HB3 MET A 53 -15.034 -8.691 -3.165 1.00 0.00 H new ATOM 0 HG2 MET A 53 -13.003 -9.741 -3.444 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.663 -11.010 -4.456 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.592 -6.785 -6.250 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.063 -7.688 -5.815 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.931 -7.166 -4.544 1.00 0.00 H new ATOM 888 N ASP A 54 -14.988 -12.900 -2.975 1.00 0.00 N ATOM 889 CA ASP A 54 -14.144 -13.948 -2.411 1.00 0.00 C ATOM 890 C ASP A 54 -12.679 -13.522 -2.424 1.00 0.00 C ATOM 891 O ASP A 54 -12.165 -13.061 -3.443 1.00 0.00 O ATOM 892 CB ASP A 54 -14.318 -15.252 -3.192 1.00 0.00 C ATOM 893 CG ASP A 54 -14.386 -16.464 -2.285 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.356 -16.570 -1.506 1.00 0.00 O ATOM 895 OD2 ASP A 54 -13.468 -17.309 -2.354 1.00 0.00 O ATOM 0 H ASP A 54 -15.575 -13.203 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.450 -14.114 -1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.229 -15.196 -3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.488 -15.369 -3.888 1.00 0.00 H new ATOM 900 N LEU A 55 -12.014 -13.672 -1.285 1.00 0.00 N ATOM 901 CA LEU A 55 -10.611 -13.293 -1.166 1.00 0.00 C ATOM 902 C LEU A 55 -9.688 -14.489 -1.385 1.00 0.00 C ATOM 903 O LEU A 55 -8.567 -14.511 -0.885 1.00 0.00 O ATOM 904 CB LEU A 55 -10.343 -12.680 0.208 1.00 0.00 C ATOM 905 CG LEU A 55 -10.671 -11.191 0.331 1.00 0.00 C ATOM 906 CD1 LEU A 55 -10.849 -10.803 1.792 1.00 0.00 C ATOM 907 CD2 LEU A 55 -9.579 -10.352 -0.316 1.00 0.00 C ATOM 0 H LEU A 55 -12.423 -14.053 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.402 -12.555 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.923 -13.226 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.291 -12.826 0.455 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.608 -10.999 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.082 -9.740 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.665 -11.382 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.928 -11.009 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.827 -9.295 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.628 -10.548 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.498 -10.611 -1.372 1.00 0.00 H new ATOM 919 N LEU A 56 -10.162 -15.481 -2.131 1.00 0.00 N ATOM 920 CA LEU A 56 -9.363 -16.672 -2.404 1.00 0.00 C ATOM 921 C LEU A 56 -8.410 -16.436 -3.572 1.00 0.00 C ATOM 922 O LEU A 56 -7.191 -16.503 -3.414 1.00 0.00 O ATOM 923 CB LEU A 56 -10.272 -17.866 -2.702 1.00 0.00 C ATOM 924 CG LEU A 56 -9.788 -19.203 -2.137 1.00 0.00 C ATOM 925 CD1 LEU A 56 -10.968 -20.052 -1.689 1.00 0.00 C ATOM 926 CD2 LEU A 56 -8.957 -19.947 -3.172 1.00 0.00 C ATOM 0 H LEU A 56 -11.089 -15.485 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.770 -16.890 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.264 -17.657 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.378 -17.962 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.160 -19.004 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.604 -20.999 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.525 -19.522 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.622 -20.244 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.620 -20.896 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.563 -20.135 -4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.091 -19.344 -3.446 1.00 0.00 H new ATOM 938 N ARG A 57 -8.973 -16.158 -4.743 1.00 0.00 N ATOM 939 CA ARG A 57 -8.172 -15.911 -5.936 1.00 0.00 C ATOM 940 C ARG A 57 -8.368 -14.481 -6.428 1.00 0.00 C ATOM 941 O ARG A 57 -8.674 -14.250 -7.598 1.00 0.00 O ATOM 942 CB ARG A 57 -8.540 -16.903 -7.041 1.00 0.00 C ATOM 943 CG ARG A 57 -7.360 -17.315 -7.907 1.00 0.00 C ATOM 944 CD ARG A 57 -7.095 -16.298 -9.006 1.00 0.00 C ATOM 945 NE ARG A 57 -5.990 -15.404 -8.671 1.00 0.00 N ATOM 946 CZ ARG A 57 -4.705 -15.731 -8.797 1.00 0.00 C ATOM 947 NH1 ARG A 57 -4.360 -16.931 -9.246 1.00 0.00 N ATOM 948 NH2 ARG A 57 -3.763 -14.855 -8.473 1.00 0.00 N ATOM 0 H ARG A 57 -9.980 -16.098 -4.891 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.122 -16.048 -5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.976 -17.793 -6.588 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.308 -16.460 -7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.471 -17.421 -7.286 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.557 -18.290 -8.352 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.869 -16.820 -9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.996 -15.710 -9.181 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.216 -14.473 -8.319 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.080 -17.608 -9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.374 -17.176 -9.341 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.023 -13.931 -8.127 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.779 -15.105 -8.569 1.00 0.00 H new ATOM 962 N THR A 58 -8.192 -13.524 -5.524 1.00 0.00 N ATOM 963 CA THR A 58 -8.351 -12.116 -5.861 1.00 0.00 C ATOM 964 C THR A 58 -6.997 -11.440 -6.041 1.00 0.00 C ATOM 965 O THR A 58 -5.972 -11.949 -5.589 1.00 0.00 O ATOM 966 CB THR A 58 -9.147 -11.394 -4.771 1.00 0.00 C ATOM 967 OG1 THR A 58 -9.029 -12.074 -3.536 1.00 0.00 O ATOM 968 CG2 THR A 58 -10.622 -11.268 -5.084 1.00 0.00 C ATOM 0 H THR A 58 -7.939 -13.699 -4.551 1.00 0.00 H new ATOM 0 HA THR A 58 -8.896 -12.057 -6.803 1.00 0.00 H new ATOM 0 HB THR A 58 -8.719 -10.393 -4.718 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.517 -12.923 -3.582 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.124 -10.746 -4.269 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.751 -10.705 -6.009 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.055 -12.261 -5.200 1.00 0.00 H new ATOM 976 N THR A 59 -7.006 -10.287 -6.699 1.00 0.00 N ATOM 977 CA THR A 59 -5.783 -9.531 -6.936 1.00 0.00 C ATOM 978 C THR A 59 -5.969 -8.075 -6.525 1.00 0.00 C ATOM 979 O THR A 59 -7.090 -7.625 -6.286 1.00 0.00 O ATOM 980 CB THR A 59 -5.378 -9.613 -8.409 1.00 0.00 C ATOM 981 OG1 THR A 59 -6.098 -10.636 -9.074 1.00 0.00 O ATOM 982 CG2 THR A 59 -3.904 -9.885 -8.608 1.00 0.00 C ATOM 0 H THR A 59 -7.848 -9.855 -7.078 1.00 0.00 H new ATOM 0 HA THR A 59 -4.988 -9.968 -6.331 1.00 0.00 H new ATOM 0 HB THR A 59 -5.611 -8.634 -8.827 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.825 -10.670 -10.015 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.683 -9.931 -9.674 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.321 -9.085 -8.151 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.643 -10.835 -8.142 1.00 0.00 H new ATOM 990 N VAL A 60 -4.866 -7.342 -6.443 1.00 0.00 N ATOM 991 CA VAL A 60 -4.912 -5.937 -6.061 1.00 0.00 C ATOM 992 C VAL A 60 -4.158 -5.072 -7.065 1.00 0.00 C ATOM 993 O VAL A 60 -2.957 -5.244 -7.269 1.00 0.00 O ATOM 994 CB VAL A 60 -4.321 -5.713 -4.656 1.00 0.00 C ATOM 995 CG1 VAL A 60 -5.334 -6.088 -3.585 1.00 0.00 C ATOM 996 CG2 VAL A 60 -3.033 -6.504 -4.483 1.00 0.00 C ATOM 0 H VAL A 60 -3.929 -7.697 -6.636 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.962 -5.646 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.085 -4.654 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.899 -5.923 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.226 -5.471 -3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.604 -7.139 -3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.632 -6.332 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.238 -7.567 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.305 -6.181 -5.227 1.00 0.00 H new ATOM 1407 N PHE A 90 -4.506 8.058 -3.165 1.00 0.00 N ATOM 1408 CA PHE A 90 -4.490 6.668 -2.723 1.00 0.00 C ATOM 1409 C PHE A 90 -5.751 5.930 -3.168 1.00 0.00 C ATOM 1410 O PHE A 90 -6.823 6.104 -2.588 1.00 0.00 O ATOM 1411 CB PHE A 90 -4.353 6.603 -1.201 1.00 0.00 C ATOM 1412 CG PHE A 90 -2.980 6.960 -0.703 1.00 0.00 C ATOM 1413 CD1 PHE A 90 -2.381 8.155 -1.073 1.00 0.00 C ATOM 1414 CD2 PHE A 90 -2.289 6.102 0.136 1.00 0.00 C ATOM 1415 CE1 PHE A 90 -1.120 8.485 -0.614 1.00 0.00 C ATOM 1416 CE2 PHE A 90 -1.027 6.426 0.598 1.00 0.00 C ATOM 1417 CZ PHE A 90 -0.442 7.619 0.222 1.00 0.00 C ATOM 0 HA PHE A 90 -3.632 6.177 -3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.080 7.278 -0.750 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.602 5.596 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.906 8.835 -1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.742 5.168 0.433 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.665 9.419 -0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.500 5.747 1.252 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.544 7.875 0.581 1.00 0.00 H new ATOM 1427 N GLU A 91 -5.609 5.099 -4.197 1.00 0.00 N ATOM 1428 CA GLU A 91 -6.728 4.320 -4.724 1.00 0.00 C ATOM 1429 C GLU A 91 -6.264 2.918 -5.110 1.00 0.00 C ATOM 1430 O GLU A 91 -5.270 2.758 -5.819 1.00 0.00 O ATOM 1431 CB GLU A 91 -7.348 5.015 -5.940 1.00 0.00 C ATOM 1432 CG GLU A 91 -7.461 6.526 -5.801 1.00 0.00 C ATOM 1433 CD GLU A 91 -6.427 7.265 -6.626 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -5.290 6.763 -6.742 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -6.755 8.347 -7.159 1.00 0.00 O ATOM 0 H GLU A 91 -4.726 4.947 -4.685 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.484 4.242 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.748 4.786 -6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.341 4.602 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.458 6.842 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.348 6.800 -4.752 1.00 0.00 H new ATOM 1442 N PHE A 92 -6.984 1.903 -4.639 1.00 0.00 N ATOM 1443 CA PHE A 92 -6.634 0.518 -4.939 1.00 0.00 C ATOM 1444 C PHE A 92 -7.801 -0.216 -5.593 1.00 0.00 C ATOM 1445 O PHE A 92 -8.953 0.201 -5.478 1.00 0.00 O ATOM 1446 CB PHE A 92 -6.200 -0.212 -3.664 1.00 0.00 C ATOM 1447 CG PHE A 92 -7.295 -0.362 -2.645 1.00 0.00 C ATOM 1448 CD1 PHE A 92 -8.248 -1.359 -2.776 1.00 0.00 C ATOM 1449 CD2 PHE A 92 -7.368 0.490 -1.555 1.00 0.00 C ATOM 1450 CE1 PHE A 92 -9.253 -1.505 -1.838 1.00 0.00 C ATOM 1451 CE2 PHE A 92 -8.372 0.350 -0.614 1.00 0.00 C ATOM 1452 CZ PHE A 92 -9.315 -0.649 -0.756 1.00 0.00 C ATOM 0 H PHE A 92 -7.810 2.013 -4.051 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.801 0.528 -5.642 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.829 -1.201 -3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.369 0.329 -3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.205 -2.030 -3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.633 1.272 -1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.989 -2.287 -1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.418 1.021 0.231 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.100 -0.761 -0.022 1.00 0.00 H new ATOM 1462 N LEU A 93 -7.491 -1.308 -6.286 1.00 0.00 N ATOM 1463 CA LEU A 93 -8.511 -2.101 -6.967 1.00 0.00 C ATOM 1464 C LEU A 93 -8.533 -3.535 -6.447 1.00 0.00 C ATOM 1465 O LEU A 93 -7.507 -4.072 -6.032 1.00 0.00 O ATOM 1466 CB LEU A 93 -8.257 -2.104 -8.476 1.00 0.00 C ATOM 1467 CG LEU A 93 -8.632 -0.808 -9.201 1.00 0.00 C ATOM 1468 CD1 LEU A 93 -7.411 -0.188 -9.861 1.00 0.00 C ATOM 1469 CD2 LEU A 93 -9.720 -1.069 -10.233 1.00 0.00 C ATOM 0 H LEU A 93 -6.541 -1.665 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.480 -1.646 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.200 -2.307 -8.650 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.817 -2.926 -8.921 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.017 -0.104 -8.463 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.700 0.731 -10.370 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.662 0.038 -9.102 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.994 -0.888 -10.585 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.974 -0.137 -10.738 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.361 -1.792 -10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.606 -1.465 -9.736 1.00 0.00 H new ATOM 1481 N ILE A 94 -9.713 -4.149 -6.480 1.00 0.00 N ATOM 1482 CA ILE A 94 -9.884 -5.523 -6.019 1.00 0.00 C ATOM 1483 C ILE A 94 -10.447 -6.392 -7.139 1.00 0.00 C ATOM 1484 O ILE A 94 -11.611 -6.261 -7.505 1.00 0.00 O ATOM 1485 CB ILE A 94 -10.839 -5.583 -4.807 1.00 0.00 C ATOM 1486 CG1 ILE A 94 -10.545 -4.439 -3.832 1.00 0.00 C ATOM 1487 CG2 ILE A 94 -10.737 -6.924 -4.101 1.00 0.00 C ATOM 1488 CD1 ILE A 94 -9.175 -4.526 -3.195 1.00 0.00 C ATOM 0 H ILE A 94 -10.569 -3.713 -6.823 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.905 -5.898 -5.721 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.859 -5.470 -5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.631 -3.490 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.302 -4.437 -3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.419 -6.941 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.002 -7.722 -4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.716 -7.073 -3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.035 -3.684 -2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.091 -5.459 -2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.410 -4.497 -3.971 1.00 0.00 H new ATOM 1500 N VAL A 95 -9.623 -7.276 -7.691 1.00 0.00 N ATOM 1501 CA VAL A 95 -10.067 -8.144 -8.778 1.00 0.00 C ATOM 1502 C VAL A 95 -10.412 -9.540 -8.281 1.00 0.00 C ATOM 1503 O VAL A 95 -9.646 -10.156 -7.543 1.00 0.00 O ATOM 1504 CB VAL A 95 -8.999 -8.258 -9.886 1.00 0.00 C ATOM 1505 CG1 VAL A 95 -9.481 -9.167 -11.010 1.00 0.00 C ATOM 1506 CG2 VAL A 95 -8.639 -6.880 -10.424 1.00 0.00 C ATOM 0 H VAL A 95 -8.652 -7.411 -7.408 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.964 -7.681 -9.190 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.103 -8.702 -9.453 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.712 -9.233 -11.780 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.682 -10.162 -10.612 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.394 -8.758 -11.443 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.885 -6.980 -11.204 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.529 -6.407 -10.838 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.245 -6.265 -9.615 1.00 0.00 H new ATOM 1516 N SER A 96 -11.569 -10.036 -8.708 1.00 0.00 N ATOM 1517 CA SER A 96 -12.020 -11.367 -8.326 1.00 0.00 C ATOM 1518 C SER A 96 -11.649 -12.379 -9.403 1.00 0.00 C ATOM 1519 O SER A 96 -10.957 -12.046 -10.365 1.00 0.00 O ATOM 1520 CB SER A 96 -13.533 -11.373 -8.097 1.00 0.00 C ATOM 1521 OG SER A 96 -13.872 -12.137 -6.953 1.00 0.00 O ATOM 0 H SER A 96 -12.212 -9.534 -9.320 1.00 0.00 H new ATOM 0 HA SER A 96 -11.525 -11.646 -7.396 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.889 -10.350 -7.974 1.00 0.00 H new ATOM 0 HB3 SER A 96 -14.035 -11.782 -8.974 1.00 0.00 H new ATOM 0 HG SER A 96 -14.844 -12.124 -6.827 1.00 0.00 H new ATOM 1527 N SER A 97 -12.107 -13.614 -9.241 1.00 0.00 N ATOM 1528 CA SER A 97 -11.812 -14.663 -10.208 1.00 0.00 C ATOM 1529 C SER A 97 -12.848 -14.702 -11.328 1.00 0.00 C ATOM 1530 O SER A 97 -12.752 -15.523 -12.239 1.00 0.00 O ATOM 1531 CB SER A 97 -11.740 -16.024 -9.515 1.00 0.00 C ATOM 1532 OG SER A 97 -12.926 -16.288 -8.784 1.00 0.00 O ATOM 0 H SER A 97 -12.682 -13.913 -8.453 1.00 0.00 H new ATOM 0 HA SER A 97 -10.843 -14.436 -10.653 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.585 -16.806 -10.258 1.00 0.00 H new ATOM 0 HB3 SER A 97 -10.882 -16.049 -8.843 1.00 0.00 H new ATOM 0 HG SER A 97 -12.856 -17.165 -8.352 1.00 0.00 H new ATOM 1538 N THR A 98 -13.834 -13.811 -11.265 1.00 0.00 N ATOM 1539 CA THR A 98 -14.867 -13.757 -12.290 1.00 0.00 C ATOM 1540 C THR A 98 -14.799 -12.447 -13.063 1.00 0.00 C ATOM 1541 O THR A 98 -15.782 -12.016 -13.665 1.00 0.00 O ATOM 1542 CB THR A 98 -16.252 -13.932 -11.665 1.00 0.00 C ATOM 1543 OG1 THR A 98 -17.267 -13.728 -12.632 1.00 0.00 O ATOM 1544 CG2 THR A 98 -16.515 -12.982 -10.517 1.00 0.00 C ATOM 0 H THR A 98 -13.938 -13.122 -10.520 1.00 0.00 H new ATOM 0 HA THR A 98 -14.692 -14.575 -12.988 1.00 0.00 H new ATOM 0 HB THR A 98 -16.270 -14.952 -11.282 1.00 0.00 H new ATOM 0 HG1 THR A 98 -17.151 -12.848 -13.048 1.00 0.00 H new ATOM 0 HG21 THR A 98 -17.514 -13.159 -10.120 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.778 -13.147 -9.732 1.00 0.00 H new ATOM 0 HG23 THR A 98 -16.443 -11.954 -10.872 1.00 0.00 H new ATOM 1552 N GLY A 99 -13.627 -11.823 -13.046 1.00 0.00 N ATOM 1553 CA GLY A 99 -13.444 -10.569 -13.756 1.00 0.00 C ATOM 1554 C GLY A 99 -13.899 -9.357 -12.960 1.00 0.00 C ATOM 1555 O GLY A 99 -13.465 -8.237 -13.230 1.00 0.00 O ATOM 0 H GLY A 99 -12.800 -12.162 -12.554 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.390 -10.454 -14.010 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.996 -10.607 -14.695 1.00 0.00 H new ATOM 1559 N GLN A 100 -14.774 -9.573 -11.980 1.00 0.00 N ATOM 1560 CA GLN A 100 -15.280 -8.480 -11.153 1.00 0.00 C ATOM 1561 C GLN A 100 -14.130 -7.692 -10.537 1.00 0.00 C ATOM 1562 O GLN A 100 -13.183 -8.275 -10.006 1.00 0.00 O ATOM 1563 CB GLN A 100 -16.188 -9.026 -10.050 1.00 0.00 C ATOM 1564 CG GLN A 100 -17.350 -8.107 -9.710 1.00 0.00 C ATOM 1565 CD GLN A 100 -18.403 -8.790 -8.860 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -18.301 -8.825 -7.633 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -19.425 -9.338 -9.509 1.00 0.00 N ATOM 0 H GLN A 100 -15.146 -10.492 -11.740 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.858 -7.810 -11.790 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.580 -9.995 -10.360 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.594 -9.195 -9.152 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -16.973 -7.231 -9.181 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.808 -7.750 -10.632 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.470 -9.286 -10.527 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.165 -9.811 -8.989 1.00 0.00 H new ATOM 1576 N THR A 101 -14.210 -6.368 -10.614 1.00 0.00 N ATOM 1577 CA THR A 101 -13.163 -5.516 -10.066 1.00 0.00 C ATOM 1578 C THR A 101 -13.743 -4.372 -9.239 1.00 0.00 C ATOM 1579 O THR A 101 -14.412 -3.484 -9.767 1.00 0.00 O ATOM 1580 CB THR A 101 -12.299 -4.950 -11.193 1.00 0.00 C ATOM 1581 OG1 THR A 101 -12.074 -5.928 -12.192 1.00 0.00 O ATOM 1582 CG2 THR A 101 -10.948 -4.458 -10.720 1.00 0.00 C ATOM 0 H THR A 101 -14.984 -5.865 -11.048 1.00 0.00 H new ATOM 0 HA THR A 101 -12.549 -6.132 -9.408 1.00 0.00 H new ATOM 0 HB THR A 101 -12.859 -4.103 -11.589 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.521 -5.546 -12.905 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.385 -4.069 -11.568 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.086 -3.667 -9.983 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.398 -5.283 -10.267 1.00 0.00 H new ATOM 1590 N TRP A 102 -13.461 -4.391 -7.939 1.00 0.00 N ATOM 1591 CA TRP A 102 -13.929 -3.352 -7.034 1.00 0.00 C ATOM 1592 C TRP A 102 -12.868 -2.272 -6.882 1.00 0.00 C ATOM 1593 O TRP A 102 -11.869 -2.476 -6.191 1.00 0.00 O ATOM 1594 CB TRP A 102 -14.220 -3.923 -5.650 1.00 0.00 C ATOM 1595 CG TRP A 102 -15.317 -4.937 -5.600 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -15.977 -5.509 -6.648 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -15.875 -5.503 -4.415 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -16.915 -6.401 -6.180 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -16.872 -6.411 -4.809 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -15.622 -5.326 -3.054 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -17.619 -7.138 -3.883 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -16.366 -6.050 -2.144 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -17.347 -6.941 -2.562 1.00 0.00 C ATOM 0 H TRP A 102 -12.907 -5.120 -7.489 1.00 0.00 H new ATOM 0 HA TRP A 102 -14.842 -2.935 -7.459 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -13.308 -4.378 -5.263 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -14.475 -3.101 -4.981 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -15.791 -5.294 -7.690 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.540 -6.963 -6.758 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.860 -4.637 -2.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -18.384 -7.831 -4.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -16.182 -5.922 -1.088 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -17.908 -7.491 -1.821 1.00 0.00 H new ATOM 1614 N HIS A 103 -13.080 -1.121 -7.501 1.00 0.00 N ATOM 1615 CA HIS A 103 -12.120 -0.035 -7.385 1.00 0.00 C ATOM 1616 C HIS A 103 -12.551 0.933 -6.292 1.00 0.00 C ATOM 1617 O HIS A 103 -13.595 1.573 -6.395 1.00 0.00 O ATOM 1618 CB HIS A 103 -11.963 0.707 -8.713 1.00 0.00 C ATOM 1619 CG HIS A 103 -10.794 1.638 -8.715 1.00 0.00 C ATOM 1620 ND1 HIS A 103 -10.006 1.835 -7.603 1.00 0.00 N ATOM 1621 CD2 HIS A 103 -10.279 2.433 -9.684 1.00 0.00 C ATOM 1622 CE1 HIS A 103 -9.065 2.709 -7.879 1.00 0.00 C ATOM 1623 NE2 HIS A 103 -9.202 3.086 -9.138 1.00 0.00 N ATOM 0 H HIS A 103 -13.895 -0.916 -8.080 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.154 -0.465 -7.121 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.847 -0.018 -9.519 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.873 1.271 -8.920 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.646 2.534 -10.695 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.308 3.060 -7.193 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.604 3.754 -9.625 1.00 0.00 H new ATOM 1632 N PHE A 104 -11.747 1.037 -5.240 1.00 0.00 N ATOM 1633 CA PHE A 104 -12.066 1.928 -4.135 1.00 0.00 C ATOM 1634 C PHE A 104 -10.968 2.958 -3.906 1.00 0.00 C ATOM 1635 O PHE A 104 -9.836 2.797 -4.362 1.00 0.00 O ATOM 1636 CB PHE A 104 -12.280 1.136 -2.842 1.00 0.00 C ATOM 1637 CG PHE A 104 -13.316 0.052 -2.936 1.00 0.00 C ATOM 1638 CD1 PHE A 104 -14.495 0.251 -3.637 1.00 0.00 C ATOM 1639 CD2 PHE A 104 -13.114 -1.168 -2.307 1.00 0.00 C ATOM 1640 CE1 PHE A 104 -15.450 -0.746 -3.711 1.00 0.00 C ATOM 1641 CE2 PHE A 104 -14.066 -2.166 -2.375 1.00 0.00 C ATOM 1642 CZ PHE A 104 -15.236 -1.955 -3.078 1.00 0.00 C ATOM 0 H PHE A 104 -10.875 0.518 -5.131 1.00 0.00 H new ATOM 0 HA PHE A 104 -12.985 2.448 -4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.332 0.689 -2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.568 1.828 -2.051 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.670 1.195 -4.131 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.200 -1.339 -1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -16.363 -0.580 -4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -13.896 -3.110 -1.879 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.982 -2.734 -3.133 1.00 0.00 H new ATOM 1652 N GLU A 105 -11.319 4.007 -3.172 1.00 0.00 N ATOM 1653 CA GLU A 105 -10.382 5.070 -2.841 1.00 0.00 C ATOM 1654 C GLU A 105 -10.428 5.345 -1.342 1.00 0.00 C ATOM 1655 O GLU A 105 -11.353 5.990 -0.847 1.00 0.00 O ATOM 1656 CB GLU A 105 -10.710 6.341 -3.626 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.802 7.515 -3.294 1.00 0.00 C ATOM 1658 CD GLU A 105 -10.099 8.737 -4.139 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -10.087 8.617 -5.383 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -10.342 9.817 -3.558 1.00 0.00 O ATOM 0 H GLU A 105 -12.256 4.143 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.376 4.752 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.638 6.128 -4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.743 6.624 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.914 7.770 -2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.763 7.219 -3.441 1.00 0.00 H new ATOM 1667 N ALA A 106 -9.434 4.833 -0.625 1.00 0.00 N ATOM 1668 CA ALA A 106 -9.358 5.000 0.822 1.00 0.00 C ATOM 1669 C ALA A 106 -9.452 6.467 1.227 1.00 0.00 C ATOM 1670 O ALA A 106 -8.757 7.320 0.676 1.00 0.00 O ATOM 1671 CB ALA A 106 -8.069 4.386 1.350 1.00 0.00 C ATOM 0 H ALA A 106 -8.665 4.296 -1.025 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.210 4.483 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.021 4.515 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.048 3.323 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.215 4.880 0.887 1.00 0.00 H new ATOM 1677 N ALA A 107 -10.307 6.748 2.206 1.00 0.00 N ATOM 1678 CA ALA A 107 -10.484 8.109 2.696 1.00 0.00 C ATOM 1679 C ALA A 107 -9.226 8.585 3.413 1.00 0.00 C ATOM 1680 O ALA A 107 -8.888 9.768 3.379 1.00 0.00 O ATOM 1681 CB ALA A 107 -11.688 8.184 3.624 1.00 0.00 C ATOM 0 H ALA A 107 -10.887 6.052 2.674 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.662 8.765 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.808 9.206 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.584 7.882 3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.535 7.518 4.473 1.00 0.00 H new ATOM 1687 N SER A 108 -8.533 7.649 4.054 1.00 0.00 N ATOM 1688 CA SER A 108 -7.306 7.958 4.773 1.00 0.00 C ATOM 1689 C SER A 108 -6.107 7.322 4.079 1.00 0.00 C ATOM 1690 O SER A 108 -6.218 6.247 3.491 1.00 0.00 O ATOM 1691 CB SER A 108 -7.397 7.466 6.220 1.00 0.00 C ATOM 1692 OG SER A 108 -8.627 7.848 6.813 1.00 0.00 O ATOM 0 H SER A 108 -8.804 6.666 4.089 1.00 0.00 H new ATOM 0 HA SER A 108 -7.174 9.040 4.778 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.299 6.381 6.245 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.568 7.874 6.799 1.00 0.00 H new ATOM 0 HG SER A 108 -8.661 7.520 7.736 1.00 0.00 H new ATOM 1698 N PHE A 109 -4.963 7.992 4.145 1.00 0.00 N ATOM 1699 CA PHE A 109 -3.748 7.490 3.514 1.00 0.00 C ATOM 1700 C PHE A 109 -3.270 6.204 4.182 1.00 0.00 C ATOM 1701 O PHE A 109 -2.767 5.299 3.517 1.00 0.00 O ATOM 1702 CB PHE A 109 -2.646 8.551 3.560 1.00 0.00 C ATOM 1703 CG PHE A 109 -2.881 9.708 2.628 1.00 0.00 C ATOM 1704 CD1 PHE A 109 -3.435 9.506 1.374 1.00 0.00 C ATOM 1705 CD2 PHE A 109 -2.549 11.000 3.008 1.00 0.00 C ATOM 1706 CE1 PHE A 109 -3.651 10.567 0.516 1.00 0.00 C ATOM 1707 CE2 PHE A 109 -2.764 12.064 2.153 1.00 0.00 C ATOM 1708 CZ PHE A 109 -3.316 11.847 0.905 1.00 0.00 C ATOM 0 H PHE A 109 -4.851 8.883 4.628 1.00 0.00 H new ATOM 0 HA PHE A 109 -3.979 7.265 2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -2.560 8.928 4.579 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.693 8.083 3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.701 8.506 1.063 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -2.118 11.176 3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.082 10.394 -0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.501 13.065 2.460 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.485 12.678 0.236 1.00 0.00 H new ATOM 1718 N GLU A 110 -3.432 6.127 5.498 1.00 0.00 N ATOM 1719 CA GLU A 110 -3.017 4.947 6.249 1.00 0.00 C ATOM 1720 C GLU A 110 -3.974 3.785 6.002 1.00 0.00 C ATOM 1721 O GLU A 110 -3.554 2.636 5.852 1.00 0.00 O ATOM 1722 CB GLU A 110 -2.950 5.264 7.744 1.00 0.00 C ATOM 1723 CG GLU A 110 -1.734 4.673 8.438 1.00 0.00 C ATOM 1724 CD GLU A 110 -1.081 5.646 9.400 1.00 0.00 C ATOM 1725 OE1 GLU A 110 -1.652 5.881 10.486 1.00 0.00 O ATOM 1726 OE2 GLU A 110 0.001 6.174 9.068 1.00 0.00 O ATOM 0 H GLU A 110 -3.847 6.866 6.066 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.024 4.656 5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -2.944 6.346 7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.852 4.888 8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.031 3.775 8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.006 4.366 7.688 1.00 0.00 H new ATOM 1733 N GLU A 111 -5.264 4.094 5.963 1.00 0.00 N ATOM 1734 CA GLU A 111 -6.289 3.083 5.737 1.00 0.00 C ATOM 1735 C GLU A 111 -6.077 2.376 4.403 1.00 0.00 C ATOM 1736 O GLU A 111 -6.282 1.168 4.292 1.00 0.00 O ATOM 1737 CB GLU A 111 -7.680 3.719 5.774 1.00 0.00 C ATOM 1738 CG GLU A 111 -8.798 2.725 6.043 1.00 0.00 C ATOM 1739 CD GLU A 111 -9.408 2.891 7.421 1.00 0.00 C ATOM 1740 OE1 GLU A 111 -9.495 4.042 7.898 1.00 0.00 O ATOM 1741 OE2 GLU A 111 -9.799 1.869 8.024 1.00 0.00 O ATOM 0 H GLU A 111 -5.626 5.040 6.085 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.212 2.343 6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.697 4.490 6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.868 4.216 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.576 2.846 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.410 1.711 5.941 1.00 0.00 H new ATOM 1748 N ARG A 112 -5.665 3.133 3.391 1.00 0.00 N ATOM 1749 CA ARG A 112 -5.434 2.569 2.065 1.00 0.00 C ATOM 1750 C ARG A 112 -4.428 1.426 2.126 1.00 0.00 C ATOM 1751 O ARG A 112 -4.658 0.355 1.563 1.00 0.00 O ATOM 1752 CB ARG A 112 -4.931 3.647 1.104 1.00 0.00 C ATOM 1753 CG ARG A 112 -4.856 3.178 -0.341 1.00 0.00 C ATOM 1754 CD ARG A 112 -3.425 3.161 -0.855 1.00 0.00 C ATOM 1755 NE ARG A 112 -3.128 1.947 -1.610 1.00 0.00 N ATOM 1756 CZ ARG A 112 -1.897 1.545 -1.918 1.00 0.00 C ATOM 1757 NH1 ARG A 112 -0.845 2.261 -1.539 1.00 0.00 N ATOM 1758 NH2 ARG A 112 -1.717 0.427 -2.606 1.00 0.00 N ATOM 0 H ARG A 112 -5.485 4.134 3.463 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.384 2.179 1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -5.590 4.513 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -3.942 3.976 1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.283 2.178 -0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.460 3.834 -0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.257 4.032 -1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.737 3.242 -0.014 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.911 1.372 -1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.978 3.123 -1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.097 1.949 -1.777 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.522 -0.126 -2.900 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.773 0.120 -2.842 1.00 0.00 H new ATOM 1772 N ASP A 113 -3.315 1.657 2.811 1.00 0.00 N ATOM 1773 CA ASP A 113 -2.283 0.637 2.940 1.00 0.00 C ATOM 1774 C ASP A 113 -2.792 -0.540 3.762 1.00 0.00 C ATOM 1775 O ASP A 113 -2.422 -1.686 3.516 1.00 0.00 O ATOM 1776 CB ASP A 113 -1.024 1.224 3.581 1.00 0.00 C ATOM 1777 CG ASP A 113 -0.027 1.717 2.551 1.00 0.00 C ATOM 1778 OD1 ASP A 113 -0.441 2.443 1.624 1.00 0.00 O ATOM 1779 OD2 ASP A 113 1.169 1.377 2.673 1.00 0.00 O ATOM 0 H ASP A 113 -3.105 2.536 3.283 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.031 0.280 1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.304 2.049 4.236 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.551 0.467 4.207 1.00 0.00 H new ATOM 1784 N ALA A 114 -3.653 -0.255 4.732 1.00 0.00 N ATOM 1785 CA ALA A 114 -4.215 -1.306 5.568 1.00 0.00 C ATOM 1786 C ALA A 114 -5.134 -2.191 4.739 1.00 0.00 C ATOM 1787 O ALA A 114 -5.049 -3.417 4.794 1.00 0.00 O ATOM 1788 CB ALA A 114 -4.965 -0.709 6.748 1.00 0.00 C ATOM 0 H ALA A 114 -3.974 0.687 4.957 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.401 -1.916 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.377 -1.511 7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.281 -0.109 7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.775 -0.078 6.383 1.00 0.00 H new ATOM 1794 N TRP A 115 -6.001 -1.556 3.959 1.00 0.00 N ATOM 1795 CA TRP A 115 -6.930 -2.270 3.097 1.00 0.00 C ATOM 1796 C TRP A 115 -6.183 -3.125 2.081 1.00 0.00 C ATOM 1797 O TRP A 115 -6.472 -4.311 1.929 1.00 0.00 O ATOM 1798 CB TRP A 115 -7.833 -1.274 2.386 1.00 0.00 C ATOM 1799 CG TRP A 115 -9.002 -0.875 3.221 1.00 0.00 C ATOM 1800 CD1 TRP A 115 -9.117 0.239 3.996 1.00 0.00 C ATOM 1801 CD2 TRP A 115 -10.212 -1.606 3.387 1.00 0.00 C ATOM 1802 NE1 TRP A 115 -10.339 0.259 4.611 1.00 0.00 N ATOM 1803 CE2 TRP A 115 -11.031 -0.864 4.254 1.00 0.00 C ATOM 1804 CE3 TRP A 115 -10.686 -2.811 2.879 1.00 0.00 C ATOM 1805 CZ2 TRP A 115 -12.299 -1.295 4.619 1.00 0.00 C ATOM 1806 CZ3 TRP A 115 -11.945 -3.232 3.252 1.00 0.00 C ATOM 1807 CH2 TRP A 115 -12.734 -2.480 4.106 1.00 0.00 C ATOM 0 H TRP A 115 -6.078 -0.540 3.907 1.00 0.00 H new ATOM 0 HA TRP A 115 -7.538 -2.934 3.712 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -7.257 -0.387 2.124 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -8.188 -1.711 1.452 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -8.355 0.996 4.109 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -10.678 0.992 5.234 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -10.082 -3.403 2.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.918 -0.712 5.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.324 -4.168 2.870 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.717 -2.841 4.372 1.00 0.00 H new ATOM 1818 N VAL A 116 -5.214 -2.526 1.391 1.00 0.00 N ATOM 1819 CA VAL A 116 -4.436 -3.259 0.401 1.00 0.00 C ATOM 1820 C VAL A 116 -3.760 -4.467 1.045 1.00 0.00 C ATOM 1821 O VAL A 116 -3.625 -5.523 0.425 1.00 0.00 O ATOM 1822 CB VAL A 116 -3.383 -2.356 -0.289 1.00 0.00 C ATOM 1823 CG1 VAL A 116 -2.081 -2.303 0.499 1.00 0.00 C ATOM 1824 CG2 VAL A 116 -3.130 -2.832 -1.712 1.00 0.00 C ATOM 0 H VAL A 116 -4.953 -1.546 1.499 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.126 -3.605 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.785 -1.343 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.369 -1.660 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.274 -1.904 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.667 -3.307 0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.388 -2.188 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -2.761 -3.857 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.060 -2.792 -2.280 1.00 0.00 H new ATOM 1834 N GLN A 117 -3.357 -4.307 2.303 1.00 0.00 N ATOM 1835 CA GLN A 117 -2.715 -5.386 3.037 1.00 0.00 C ATOM 1836 C GLN A 117 -3.763 -6.353 3.573 1.00 0.00 C ATOM 1837 O GLN A 117 -3.513 -7.551 3.688 1.00 0.00 O ATOM 1838 CB GLN A 117 -1.877 -4.828 4.189 1.00 0.00 C ATOM 1839 CG GLN A 117 -1.019 -5.876 4.880 1.00 0.00 C ATOM 1840 CD GLN A 117 -0.107 -5.279 5.933 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -0.470 -5.185 7.105 1.00 0.00 O ATOM 1842 NE2 GLN A 117 1.088 -4.872 5.519 1.00 0.00 N ATOM 0 H GLN A 117 -3.465 -3.441 2.832 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.054 -5.922 2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.232 -4.036 3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.541 -4.372 4.923 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -1.665 -6.621 5.344 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.417 -6.396 4.135 1.00 0.00 H new ATOM 0 HE21 GLN A 117 1.348 -4.969 4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 117 1.746 -4.463 6.183 1.00 0.00 H new ATOM 1851 N ALA A 118 -4.942 -5.824 3.888 1.00 0.00 N ATOM 1852 CA ALA A 118 -6.031 -6.642 4.400 1.00 0.00 C ATOM 1853 C ALA A 118 -6.511 -7.614 3.336 1.00 0.00 C ATOM 1854 O ALA A 118 -6.658 -8.810 3.588 1.00 0.00 O ATOM 1855 CB ALA A 118 -7.179 -5.761 4.873 1.00 0.00 C ATOM 0 H ALA A 118 -5.165 -4.833 3.797 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.662 -7.216 5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -7.986 -6.388 5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.828 -5.101 5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.546 -5.163 4.039 1.00 0.00 H new ATOM 1861 N ILE A 119 -6.737 -7.092 2.139 1.00 0.00 N ATOM 1862 CA ILE A 119 -7.184 -7.911 1.024 1.00 0.00 C ATOM 1863 C ILE A 119 -6.099 -8.912 0.645 1.00 0.00 C ATOM 1864 O ILE A 119 -6.364 -10.105 0.510 1.00 0.00 O ATOM 1865 CB ILE A 119 -7.560 -7.041 -0.200 1.00 0.00 C ATOM 1866 CG1 ILE A 119 -8.912 -6.363 0.032 1.00 0.00 C ATOM 1867 CG2 ILE A 119 -7.601 -7.876 -1.474 1.00 0.00 C ATOM 1868 CD1 ILE A 119 -8.813 -5.034 0.748 1.00 0.00 C ATOM 0 H ILE A 119 -6.618 -6.104 1.916 1.00 0.00 H new ATOM 0 HA ILE A 119 -8.078 -8.450 1.338 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.794 -6.275 -0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -9.402 -6.211 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -9.548 -7.031 0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -7.868 -7.240 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.621 -8.320 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.344 -8.667 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.811 -4.615 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -8.353 -5.181 1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.204 -4.348 0.159 1.00 0.00 H new ATOM 1880 N GLU A 120 -4.870 -8.424 0.491 1.00 0.00 N ATOM 1881 CA GLU A 120 -3.750 -9.290 0.145 1.00 0.00 C ATOM 1882 C GLU A 120 -3.484 -10.282 1.271 1.00 0.00 C ATOM 1883 O GLU A 120 -3.073 -11.416 1.028 1.00 0.00 O ATOM 1884 CB GLU A 120 -2.496 -8.459 -0.133 1.00 0.00 C ATOM 1885 CG GLU A 120 -2.470 -7.844 -1.523 1.00 0.00 C ATOM 1886 CD GLU A 120 -2.014 -8.824 -2.585 1.00 0.00 C ATOM 1887 OE1 GLU A 120 -2.872 -9.547 -3.135 1.00 0.00 O ATOM 1888 OE2 GLU A 120 -0.798 -8.870 -2.868 1.00 0.00 O ATOM 0 H GLU A 120 -4.627 -7.439 0.600 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.007 -9.843 -0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.426 -7.663 0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.616 -9.090 -0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.466 -7.480 -1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.805 -6.980 -1.522 1.00 0.00 H new ATOM 1895 N SER A 121 -3.730 -9.850 2.506 1.00 0.00 N ATOM 1896 CA SER A 121 -3.525 -10.707 3.667 1.00 0.00 C ATOM 1897 C SER A 121 -4.511 -11.866 3.651 1.00 0.00 C ATOM 1898 O SER A 121 -4.140 -13.015 3.888 1.00 0.00 O ATOM 1899 CB SER A 121 -3.681 -9.908 4.962 1.00 0.00 C ATOM 1900 OG SER A 121 -2.496 -9.191 5.265 1.00 0.00 O ATOM 0 H SER A 121 -4.071 -8.914 2.726 1.00 0.00 H new ATOM 0 HA SER A 121 -2.511 -11.104 3.622 1.00 0.00 H new ATOM 0 HB2 SER A 121 -4.516 -9.213 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 121 -3.921 -10.583 5.783 1.00 0.00 H new ATOM 0 HG SER A 121 -2.336 -8.516 4.573 1.00 0.00 H new ATOM 1906 N GLN A 122 -5.768 -11.555 3.362 1.00 0.00 N ATOM 1907 CA GLN A 122 -6.809 -12.572 3.306 1.00 0.00 C ATOM 1908 C GLN A 122 -6.540 -13.547 2.166 1.00 0.00 C ATOM 1909 O GLN A 122 -6.810 -14.743 2.279 1.00 0.00 O ATOM 1910 CB GLN A 122 -8.180 -11.919 3.124 1.00 0.00 C ATOM 1911 CG GLN A 122 -8.687 -11.205 4.368 1.00 0.00 C ATOM 1912 CD GLN A 122 -8.640 -12.081 5.605 1.00 0.00 C ATOM 1913 OE1 GLN A 122 -9.387 -13.053 5.721 1.00 0.00 O ATOM 1914 NE2 GLN A 122 -7.759 -11.739 6.538 1.00 0.00 N ATOM 0 H GLN A 122 -6.091 -10.608 3.163 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.803 -13.123 4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.126 -11.205 2.302 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.901 -12.683 2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -8.088 -10.310 4.538 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.712 -10.875 4.200 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.160 -10.925 6.400 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.682 -12.290 7.393 1.00 0.00 H new ATOM 1923 N ILE A 123 -6.003 -13.027 1.068 1.00 0.00 N ATOM 1924 CA ILE A 123 -5.692 -13.849 -0.092 1.00 0.00 C ATOM 1925 C ILE A 123 -4.482 -14.734 0.176 1.00 0.00 C ATOM 1926 O ILE A 123 -4.415 -15.869 -0.295 1.00 0.00 O ATOM 1927 CB ILE A 123 -5.426 -12.983 -1.340 1.00 0.00 C ATOM 1928 CG1 ILE A 123 -6.618 -12.064 -1.612 1.00 0.00 C ATOM 1929 CG2 ILE A 123 -5.149 -13.862 -2.549 1.00 0.00 C ATOM 1930 CD1 ILE A 123 -6.245 -10.785 -2.330 1.00 0.00 C ATOM 0 H ILE A 123 -5.774 -12.039 0.958 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.562 -14.478 -0.281 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.546 -12.367 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -7.354 -12.604 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -7.096 -11.813 -0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.964 -13.234 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.274 -14.482 -2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -6.011 -14.501 -2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -7.140 -10.183 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.532 -10.223 -1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -5.794 -11.026 -3.293 1.00 0.00 H new ATOM 1942 N LEU A 124 -3.531 -14.212 0.941 1.00 0.00 N ATOM 1943 CA LEU A 124 -2.328 -14.962 1.277 1.00 0.00 C ATOM 1944 C LEU A 124 -2.665 -16.126 2.203 1.00 0.00 C ATOM 1945 O LEU A 124 -2.078 -17.204 2.102 1.00 0.00 O ATOM 1946 CB LEU A 124 -1.293 -14.045 1.934 1.00 0.00 C ATOM 1947 CG LEU A 124 0.084 -14.041 1.266 1.00 0.00 C ATOM 1948 CD1 LEU A 124 1.011 -13.058 1.962 1.00 0.00 C ATOM 1949 CD2 LEU A 124 0.682 -15.440 1.275 1.00 0.00 C ATOM 0 H LEU A 124 -3.570 -13.274 1.340 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.904 -15.363 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.682 -13.027 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.174 -14.344 2.975 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.035 -13.724 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.985 -13.069 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.587 -12.055 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.126 -13.344 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.661 -15.420 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.788 -15.784 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.026 -16.120 0.731 1.00 0.00 H new ATOM 1961 N ALA A 125 -3.619 -15.902 3.101 1.00 0.00 N ATOM 1962 CA ALA A 125 -4.039 -16.933 4.040 1.00 0.00 C ATOM 1963 C ALA A 125 -4.929 -17.965 3.356 1.00 0.00 C ATOM 1964 O ALA A 125 -4.950 -19.134 3.740 1.00 0.00 O ATOM 1965 CB ALA A 125 -4.766 -16.306 5.221 1.00 0.00 C ATOM 0 H ALA A 125 -4.115 -15.016 3.197 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.148 -17.444 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.074 -17.088 5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.099 -15.610 5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.645 -15.770 4.864 1.00 0.00 H new ATOM 1971 N SER A 126 -5.664 -17.523 2.340 1.00 0.00 N ATOM 1972 CA SER A 126 -6.558 -18.406 1.601 1.00 0.00 C ATOM 1973 C SER A 126 -5.792 -19.218 0.560 1.00 0.00 C ATOM 1974 O SER A 126 -6.134 -20.367 0.281 1.00 0.00 O ATOM 1975 CB SER A 126 -7.662 -17.596 0.919 1.00 0.00 C ATOM 1976 OG SER A 126 -8.809 -17.500 1.745 1.00 0.00 O ATOM 0 H SER A 126 -5.658 -16.558 2.010 1.00 0.00 H new ATOM 0 HA SER A 126 -7.009 -19.097 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.293 -16.597 0.686 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.930 -18.066 -0.027 1.00 0.00 H new ATOM 0 HG SER A 126 -9.499 -16.976 1.287 1.00 0.00 H new