USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=24 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 7 GLN : amide:sc= -1.41 K(o=-1.8,f=-3.2!) USER MOD Set 1.2: A 26 TYR OH : rot -98:sc= -0.339 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -149:sc= -0.0121 (180deg=-0.873!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0035) USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 1.09 (180deg=1.05) USER MOD Single : A 28 THR OG1 : rot 180:sc= -2.26 USER MOD Single : A 30 SER OG : rot -3:sc= 0.417 USER MOD Single : A 31 SER OG : rot -112:sc= 0.822 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0.077) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -3.33 X(o=-3.3,f=-3.6!) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 42 ASN : amide:sc= -2.13 X(o=-2.1,f=-2.1!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -1.88 F(o=-7.5!,f=-1.9) USER MOD Single : A 47 SER OG : rot 180:sc= -0.214 USER MOD Single : A 48 THR OG1 : rot -170:sc= 0.203 USER MOD Single : A 49 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.023) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 149:sc= -10.8! (180deg=-13!) USER MOD Single : A 58 THR OG1 : rot -69:sc= -3.8! USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0837 USER MOD Single : A 96 SER OG : rot -76:sc= -0.074 USER MOD Single : A 97 SER OG : rot -4:sc= 0.878 USER MOD Single : A 98 THR OG1 : rot -58:sc= 1.08 USER MOD Single : A 100 GLN : amide:sc= -0.0499 K(o=-0.05,f=-1.3) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -5.94! C(o=-5.9!,f=-7.1!) 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 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -8.12! C(o=-8.1!,f=-17!) USER MOD Single : A 126 SER OG : rot 88:sc= 0.603 USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 -12.379 -11.871 12.531 1.00 0.00 N ATOM 38 CA ILE A 3 -12.200 -10.500 12.988 1.00 0.00 C ATOM 39 C ILE A 3 -12.016 -9.552 11.806 1.00 0.00 C ATOM 40 O ILE A 3 -11.291 -9.862 10.862 1.00 0.00 O ATOM 41 CB ILE A 3 -10.983 -10.372 13.925 1.00 0.00 C ATOM 42 CG1 ILE A 3 -10.957 -11.522 14.935 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.001 -9.032 14.644 1.00 0.00 C ATOM 44 CD1 ILE A 3 -9.628 -11.673 15.643 1.00 0.00 C ATOM 0 HA ILE A 3 -13.101 -10.228 13.538 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.078 -10.426 13.320 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -11.739 -11.361 15.677 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.193 -12.453 14.420 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.134 -8.960 15.301 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.969 -8.226 13.911 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.913 -8.949 15.236 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.682 -12.506 16.344 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.845 -11.865 14.910 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.399 -10.756 16.187 1.00 0.00 H new ATOM 56 N PRO A 4 -12.671 -8.379 11.838 1.00 0.00 N ATOM 57 CA PRO A 4 -12.565 -7.392 10.759 1.00 0.00 C ATOM 58 C PRO A 4 -11.139 -6.900 10.567 1.00 0.00 C ATOM 59 O PRO A 4 -10.470 -6.503 11.520 1.00 0.00 O ATOM 60 CB PRO A 4 -13.476 -6.244 11.214 1.00 0.00 C ATOM 61 CG PRO A 4 -13.639 -6.437 12.683 1.00 0.00 C ATOM 62 CD PRO A 4 -13.557 -7.918 12.919 1.00 0.00 C ATOM 0 HA PRO A 4 -12.854 -7.815 9.797 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -13.030 -5.275 10.991 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -14.438 -6.278 10.703 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.860 -5.911 13.234 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -14.595 -6.040 13.025 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.146 -8.147 13.902 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.538 -8.390 12.865 1.00 0.00 H new ATOM 70 N ILE A 5 -10.688 -6.925 9.320 1.00 0.00 N ATOM 71 CA ILE A 5 -9.342 -6.478 8.979 1.00 0.00 C ATOM 72 C ILE A 5 -9.341 -4.995 8.620 1.00 0.00 C ATOM 73 O ILE A 5 -8.310 -4.328 8.705 1.00 0.00 O ATOM 74 CB ILE A 5 -8.759 -7.291 7.807 1.00 0.00 C ATOM 75 CG1 ILE A 5 -8.816 -8.788 8.117 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.327 -6.859 7.518 1.00 0.00 C ATOM 77 CD1 ILE A 5 -8.094 -9.167 9.392 1.00 0.00 C ATOM 0 H ILE A 5 -11.236 -7.251 8.524 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.716 -6.637 9.857 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.361 -7.099 6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.859 -9.096 8.194 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.381 -9.341 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.931 -7.444 6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.312 -5.801 7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.712 -7.023 8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.175 -10.242 9.550 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.043 -8.890 9.311 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.544 -8.642 10.235 1.00 0.00 H new ATOM 89 N LYS A 6 -10.508 -4.486 8.236 1.00 0.00 N ATOM 90 CA LYS A 6 -10.664 -3.078 7.881 1.00 0.00 C ATOM 91 C LYS A 6 -12.101 -2.814 7.489 1.00 0.00 C ATOM 92 O LYS A 6 -12.555 -3.266 6.453 1.00 0.00 O ATOM 93 CB LYS A 6 -9.750 -2.686 6.707 1.00 0.00 C ATOM 94 CG LYS A 6 -8.841 -1.501 6.985 1.00 0.00 C ATOM 95 CD LYS A 6 -8.024 -1.685 8.257 1.00 0.00 C ATOM 96 CE LYS A 6 -7.538 -0.354 8.807 1.00 0.00 C ATOM 97 NZ LYS A 6 -7.941 -0.161 10.228 1.00 0.00 N ATOM 0 H LYS A 6 -11.366 -5.032 8.162 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.386 -2.481 8.750 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.135 -3.545 6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.371 -2.456 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.167 -1.357 6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.443 -0.596 7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.629 -2.191 9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.169 -2.328 8.051 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.452 -0.303 8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.941 0.458 8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.591 0.758 10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.978 -0.185 10.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.536 -0.922 10.810 1.00 0.00 H new ATOM 111 N GLN A 7 -12.813 -2.078 8.311 1.00 0.00 N ATOM 112 CA GLN A 7 -14.203 -1.764 8.016 1.00 0.00 C ATOM 113 C GLN A 7 -14.446 -0.263 8.103 1.00 0.00 C ATOM 114 O GLN A 7 -14.410 0.322 9.185 1.00 0.00 O ATOM 115 CB GLN A 7 -15.134 -2.507 8.977 1.00 0.00 C ATOM 116 CG GLN A 7 -16.605 -2.186 8.773 1.00 0.00 C ATOM 117 CD GLN A 7 -17.148 -1.242 9.829 1.00 0.00 C ATOM 118 OE1 GLN A 7 -17.289 -0.043 9.591 1.00 0.00 O ATOM 119 NE2 GLN A 7 -17.456 -1.781 11.003 1.00 0.00 N ATOM 0 H GLN A 7 -12.461 -1.685 9.184 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.418 -2.090 6.998 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -14.985 -3.580 8.856 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -14.856 -2.260 10.002 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -16.743 -1.741 7.788 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -17.181 -3.112 8.788 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -17.323 -2.781 11.156 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -17.826 -1.195 11.752 1.00 0.00 H new ATOM 128 N SER A 8 -14.691 0.357 6.954 1.00 0.00 N ATOM 129 CA SER A 8 -14.937 1.792 6.901 1.00 0.00 C ATOM 130 C SER A 8 -15.522 2.194 5.551 1.00 0.00 C ATOM 131 O SER A 8 -15.812 1.342 4.711 1.00 0.00 O ATOM 132 CB SER A 8 -13.641 2.563 7.161 1.00 0.00 C ATOM 133 OG SER A 8 -13.847 3.605 8.100 1.00 0.00 O ATOM 0 H SER A 8 -14.724 -0.111 6.048 1.00 0.00 H new ATOM 0 HA SER A 8 -15.660 2.041 7.678 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.876 1.881 7.532 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.269 2.981 6.226 1.00 0.00 H new ATOM 0 HG SER A 8 -13.004 4.081 8.250 1.00 0.00 H new ATOM 139 N PHE A 9 -15.696 3.496 5.351 1.00 0.00 N ATOM 140 CA PHE A 9 -16.249 4.008 4.103 1.00 0.00 C ATOM 141 C PHE A 9 -15.161 4.163 3.048 1.00 0.00 C ATOM 142 O PHE A 9 -14.017 4.495 3.364 1.00 0.00 O ATOM 143 CB PHE A 9 -16.943 5.352 4.339 1.00 0.00 C ATOM 144 CG PHE A 9 -17.741 5.407 5.612 1.00 0.00 C ATOM 145 CD1 PHE A 9 -18.475 4.309 6.033 1.00 0.00 C ATOM 146 CD2 PHE A 9 -17.755 6.554 6.385 1.00 0.00 C ATOM 147 CE1 PHE A 9 -19.208 4.357 7.204 1.00 0.00 C ATOM 148 CE2 PHE A 9 -18.485 6.609 7.557 1.00 0.00 C ATOM 149 CZ PHE A 9 -19.213 5.508 7.967 1.00 0.00 C ATOM 0 H PHE A 9 -15.462 4.215 6.036 1.00 0.00 H new ATOM 0 HA PHE A 9 -16.982 3.288 3.739 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -16.191 6.140 4.358 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.603 5.562 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -18.474 3.406 5.440 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -17.188 7.417 6.069 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -19.776 3.495 7.522 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -18.487 7.511 8.152 1.00 0.00 H new ATOM 0 HZ PHE A 9 -19.785 5.548 8.882 1.00 0.00 H new ATOM 159 N LEU A 10 -15.524 3.922 1.794 1.00 0.00 N ATOM 160 CA LEU A 10 -14.582 4.035 0.688 1.00 0.00 C ATOM 161 C LEU A 10 -15.225 4.734 -0.501 1.00 0.00 C ATOM 162 O LEU A 10 -16.441 4.685 -0.677 1.00 0.00 O ATOM 163 CB LEU A 10 -14.092 2.650 0.264 1.00 0.00 C ATOM 164 CG LEU A 10 -12.859 2.141 1.010 1.00 0.00 C ATOM 165 CD1 LEU A 10 -13.240 1.640 2.396 1.00 0.00 C ATOM 166 CD2 LEU A 10 -12.171 1.041 0.213 1.00 0.00 C ATOM 0 H LEU A 10 -16.466 3.646 1.518 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.733 4.629 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.903 1.936 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.869 2.672 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.161 2.970 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.349 1.282 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.687 2.454 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.958 0.825 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.295 0.690 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.863 0.212 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.862 1.433 -0.756 1.00 0.00 H new ATOM 178 N LEU A 11 -14.401 5.372 -1.321 1.00 0.00 N ATOM 179 CA LEU A 11 -14.902 6.067 -2.502 1.00 0.00 C ATOM 180 C LEU A 11 -14.980 5.107 -3.687 1.00 0.00 C ATOM 181 O LEU A 11 -14.078 4.298 -3.896 1.00 0.00 O ATOM 182 CB LEU A 11 -14.010 7.264 -2.838 1.00 0.00 C ATOM 183 CG LEU A 11 -14.709 8.627 -2.793 1.00 0.00 C ATOM 184 CD1 LEU A 11 -15.389 8.833 -1.450 1.00 0.00 C ATOM 185 CD2 LEU A 11 -13.715 9.745 -3.069 1.00 0.00 C ATOM 0 H LEU A 11 -13.390 5.424 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.905 6.437 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.172 7.280 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.594 7.119 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.473 8.649 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.880 9.806 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -16.131 8.050 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.644 8.791 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.229 10.706 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.928 9.726 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.275 9.605 -4.057 1.00 0.00 H new ATOM 197 N LYS A 12 -16.066 5.190 -4.452 1.00 0.00 N ATOM 198 CA LYS A 12 -16.255 4.313 -5.605 1.00 0.00 C ATOM 199 C LYS A 12 -16.617 5.108 -6.857 1.00 0.00 C ATOM 200 O LYS A 12 -17.597 5.853 -6.870 1.00 0.00 O ATOM 201 CB LYS A 12 -17.346 3.281 -5.311 1.00 0.00 C ATOM 202 CG LYS A 12 -17.636 2.344 -6.475 1.00 0.00 C ATOM 203 CD LYS A 12 -16.564 1.275 -6.616 1.00 0.00 C ATOM 204 CE LYS A 12 -15.740 1.472 -7.879 1.00 0.00 C ATOM 205 NZ LYS A 12 -16.597 1.572 -9.093 1.00 0.00 N ATOM 0 H LYS A 12 -16.826 5.853 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.312 3.800 -5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.049 2.689 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.264 3.803 -5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.606 1.869 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.700 2.920 -7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.908 1.299 -5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.031 0.290 -6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.140 2.377 -7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.046 0.639 -7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.084 1.189 -9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.471 1.028 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.835 2.569 -9.269 1.00 0.00 H new ATOM 219 N ARG A 13 -15.823 4.934 -7.911 1.00 0.00 N ATOM 220 CA ARG A 13 -16.057 5.624 -9.177 1.00 0.00 C ATOM 221 C ARG A 13 -17.474 5.370 -9.685 1.00 0.00 C ATOM 222 O ARG A 13 -18.045 4.304 -9.457 1.00 0.00 O ATOM 223 CB ARG A 13 -15.039 5.165 -10.225 1.00 0.00 C ATOM 224 CG ARG A 13 -13.838 6.085 -10.353 1.00 0.00 C ATOM 225 CD ARG A 13 -12.742 5.457 -11.200 1.00 0.00 C ATOM 226 NE ARG A 13 -13.257 4.943 -12.467 1.00 0.00 N ATOM 227 CZ ARG A 13 -12.596 4.089 -13.243 1.00 0.00 C ATOM 228 NH1 ARG A 13 -11.395 3.649 -12.888 1.00 0.00 N ATOM 229 NH2 ARG A 13 -13.138 3.669 -14.379 1.00 0.00 N ATOM 0 H ARG A 13 -15.009 4.319 -7.913 1.00 0.00 H new ATOM 0 HA ARG A 13 -15.939 6.694 -9.006 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -14.693 4.164 -9.968 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -15.535 5.092 -11.193 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -14.148 7.030 -10.800 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.447 6.314 -9.362 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.967 6.198 -11.397 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.273 4.646 -10.643 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.177 5.258 -12.774 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.973 3.966 -12.015 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.894 2.994 -13.488 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.061 4.001 -14.657 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.631 3.014 -14.974 1.00 0.00 H new ATOM 319 N LYS A 20 -13.773 10.799 -14.012 1.00 0.00 N ATOM 320 CA LYS A 20 -13.837 10.126 -12.720 1.00 0.00 C ATOM 321 C LYS A 20 -14.855 10.791 -11.803 1.00 0.00 C ATOM 322 O LYS A 20 -15.155 11.978 -11.938 1.00 0.00 O ATOM 323 CB LYS A 20 -12.459 10.109 -12.061 1.00 0.00 C ATOM 324 CG LYS A 20 -11.876 8.711 -11.929 1.00 0.00 C ATOM 325 CD LYS A 20 -10.493 8.739 -11.308 1.00 0.00 C ATOM 326 CE LYS A 20 -9.449 8.142 -12.238 1.00 0.00 C ATOM 327 NZ LYS A 20 -8.183 7.822 -11.523 1.00 0.00 N ATOM 0 HA LYS A 20 -14.158 9.099 -12.891 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.777 10.727 -12.645 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.531 10.561 -11.072 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.537 8.097 -11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.825 8.243 -12.912 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.222 9.767 -11.068 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.504 8.185 -10.369 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.846 7.236 -12.695 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.241 8.842 -13.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.498 7.417 -12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.789 8.691 -11.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.376 7.134 -10.767 1.00 0.00 H new ATOM 341 N GLU A 21 -15.382 10.011 -10.866 1.00 0.00 N ATOM 342 CA GLU A 21 -16.368 10.501 -9.914 1.00 0.00 C ATOM 343 C GLU A 21 -16.634 9.442 -8.856 1.00 0.00 C ATOM 344 O GLU A 21 -17.355 8.474 -9.096 1.00 0.00 O ATOM 345 CB GLU A 21 -17.668 10.874 -10.630 1.00 0.00 C ATOM 346 CG GLU A 21 -18.546 11.827 -9.839 1.00 0.00 C ATOM 347 CD GLU A 21 -19.641 12.449 -10.684 1.00 0.00 C ATOM 348 OE1 GLU A 21 -20.379 11.692 -11.350 1.00 0.00 O ATOM 349 OE2 GLU A 21 -19.761 13.693 -10.680 1.00 0.00 O ATOM 0 H GLU A 21 -15.139 9.028 -10.746 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.975 11.396 -9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.426 11.329 -11.591 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.231 9.965 -10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.997 11.291 -9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.927 12.617 -9.414 1.00 0.00 H new ATOM 356 N TRP A 22 -16.029 9.622 -7.692 1.00 0.00 N ATOM 357 CA TRP A 22 -16.177 8.674 -6.599 1.00 0.00 C ATOM 358 C TRP A 22 -17.230 9.140 -5.599 1.00 0.00 C ATOM 359 O TRP A 22 -17.358 10.333 -5.322 1.00 0.00 O ATOM 360 CB TRP A 22 -14.835 8.477 -5.889 1.00 0.00 C ATOM 361 CG TRP A 22 -13.676 8.311 -6.827 1.00 0.00 C ATOM 362 CD1 TRP A 22 -13.264 9.194 -7.785 1.00 0.00 C ATOM 363 CD2 TRP A 22 -12.778 7.197 -6.895 1.00 0.00 C ATOM 364 NE1 TRP A 22 -12.169 8.696 -8.446 1.00 0.00 N ATOM 365 CE2 TRP A 22 -11.851 7.473 -7.918 1.00 0.00 C ATOM 366 CE3 TRP A 22 -12.664 5.993 -6.192 1.00 0.00 C ATOM 367 CZ2 TRP A 22 -10.830 6.591 -8.254 1.00 0.00 C ATOM 368 CZ3 TRP A 22 -11.647 5.119 -6.529 1.00 0.00 C ATOM 369 CH2 TRP A 22 -10.747 5.423 -7.548 1.00 0.00 C ATOM 0 H TRP A 22 -15.429 10.419 -7.480 1.00 0.00 H new ATOM 0 HA TRP A 22 -16.507 7.724 -7.021 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -14.647 9.333 -5.241 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -14.899 7.599 -5.246 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -13.732 10.145 -7.992 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -11.673 9.161 -9.206 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.358 5.751 -5.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.129 6.820 -9.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.549 4.186 -5.994 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -9.964 4.718 -7.786 1.00 0.00 H new ATOM 380 N LYS A 23 -17.977 8.184 -5.054 1.00 0.00 N ATOM 381 CA LYS A 23 -19.015 8.485 -4.078 1.00 0.00 C ATOM 382 C LYS A 23 -18.753 7.740 -2.773 1.00 0.00 C ATOM 383 O LYS A 23 -18.032 6.744 -2.754 1.00 0.00 O ATOM 384 CB LYS A 23 -20.391 8.103 -4.630 1.00 0.00 C ATOM 385 CG LYS A 23 -21.146 9.272 -5.241 1.00 0.00 C ATOM 386 CD LYS A 23 -22.651 9.075 -5.143 1.00 0.00 C ATOM 387 CE LYS A 23 -23.353 10.347 -4.689 1.00 0.00 C ATOM 388 NZ LYS A 23 -23.694 10.305 -3.240 1.00 0.00 N ATOM 0 H LYS A 23 -17.881 7.193 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 23 -18.999 9.557 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.268 7.326 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -20.990 7.674 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -20.865 10.194 -4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -20.860 9.385 -6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -23.043 8.769 -6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.868 8.269 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.712 11.206 -4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -24.263 10.488 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -24.171 11.189 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -24.326 9.500 -3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -22.823 10.196 -2.681 1.00 0.00 H new ATOM 402 N LYS A 24 -19.336 8.230 -1.685 1.00 0.00 N ATOM 403 CA LYS A 24 -19.155 7.605 -0.381 1.00 0.00 C ATOM 404 C LYS A 24 -19.717 6.186 -0.377 1.00 0.00 C ATOM 405 O LYS A 24 -20.888 5.970 -0.689 1.00 0.00 O ATOM 406 CB LYS A 24 -19.830 8.442 0.707 1.00 0.00 C ATOM 407 CG LYS A 24 -18.885 9.404 1.408 1.00 0.00 C ATOM 408 CD LYS A 24 -17.937 8.672 2.346 1.00 0.00 C ATOM 409 CE LYS A 24 -16.538 8.574 1.760 1.00 0.00 C ATOM 410 NZ LYS A 24 -15.487 8.758 2.798 1.00 0.00 N ATOM 0 H LYS A 24 -19.936 9.055 -1.680 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.086 7.552 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -20.648 9.009 0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.270 7.774 1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.309 9.956 0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.463 10.137 1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.896 9.193 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -18.320 7.671 2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.411 7.602 1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.416 9.328 0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.549 8.617 2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.549 9.720 3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.628 8.066 3.561 1.00 0.00 H new ATOM 424 N LYS A 25 -18.871 5.223 -0.026 1.00 0.00 N ATOM 425 CA LYS A 25 -19.277 3.823 0.015 1.00 0.00 C ATOM 426 C LYS A 25 -18.962 3.201 1.371 1.00 0.00 C ATOM 427 O LYS A 25 -18.534 3.888 2.298 1.00 0.00 O ATOM 428 CB LYS A 25 -18.577 3.033 -1.094 1.00 0.00 C ATOM 429 CG LYS A 25 -19.471 1.993 -1.753 1.00 0.00 C ATOM 430 CD LYS A 25 -19.473 2.135 -3.267 1.00 0.00 C ATOM 431 CE LYS A 25 -20.800 1.698 -3.866 1.00 0.00 C ATOM 432 NZ LYS A 25 -21.125 0.283 -3.534 1.00 0.00 N ATOM 0 H LYS A 25 -17.899 5.387 0.235 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.355 3.782 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -18.219 3.728 -1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -17.700 2.536 -0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.130 0.994 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.489 2.096 -1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -19.275 3.172 -3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.667 1.536 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.595 2.348 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.765 1.817 -4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.021 0.016 -3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -20.364 -0.338 -3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.218 0.181 -2.503 1.00 0.00 H new ATOM 446 N TYR A 26 -19.180 1.896 1.474 1.00 0.00 N ATOM 447 CA TYR A 26 -18.926 1.165 2.710 1.00 0.00 C ATOM 448 C TYR A 26 -18.249 -0.167 2.405 1.00 0.00 C ATOM 449 O TYR A 26 -18.715 -0.924 1.556 1.00 0.00 O ATOM 450 CB TYR A 26 -20.246 0.932 3.450 1.00 0.00 C ATOM 451 CG TYR A 26 -20.087 0.539 4.902 1.00 0.00 C ATOM 452 CD1 TYR A 26 -19.383 -0.601 5.268 1.00 0.00 C ATOM 453 CD2 TYR A 26 -20.654 1.310 5.906 1.00 0.00 C ATOM 454 CE1 TYR A 26 -19.248 -0.958 6.598 1.00 0.00 C ATOM 455 CE2 TYR A 26 -20.525 0.961 7.236 1.00 0.00 C ATOM 456 CZ TYR A 26 -19.820 -0.174 7.577 1.00 0.00 C ATOM 457 OH TYR A 26 -19.688 -0.527 8.900 1.00 0.00 O ATOM 0 H TYR A 26 -19.534 1.319 0.711 1.00 0.00 H new ATOM 0 HA TYR A 26 -18.262 1.753 3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -20.844 1.841 3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -20.805 0.151 2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -18.934 -1.218 4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -21.207 2.200 5.643 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -18.697 -1.847 6.868 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -20.974 1.573 8.004 1.00 0.00 H new ATOM 0 HH TYR A 26 -20.496 -0.997 9.195 1.00 0.00 H new ATOM 467 N VAL A 27 -17.143 -0.447 3.092 1.00 0.00 N ATOM 468 CA VAL A 27 -16.409 -1.693 2.875 1.00 0.00 C ATOM 469 C VAL A 27 -15.959 -2.313 4.185 1.00 0.00 C ATOM 470 O VAL A 27 -15.595 -1.609 5.128 1.00 0.00 O ATOM 471 CB VAL A 27 -15.155 -1.490 1.998 1.00 0.00 C ATOM 472 CG1 VAL A 27 -14.806 -2.776 1.265 1.00 0.00 C ATOM 473 CG2 VAL A 27 -15.354 -0.349 1.012 1.00 0.00 C ATOM 0 H VAL A 27 -16.737 0.167 3.799 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.108 -2.355 2.364 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.324 -1.226 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.920 -2.616 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.608 -3.566 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.640 -3.070 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.455 -0.229 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.200 -0.573 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.550 0.574 1.558 1.00 0.00 H new ATOM 483 N THR A 28 -15.946 -3.639 4.222 1.00 0.00 N ATOM 484 CA THR A 28 -15.494 -4.361 5.398 1.00 0.00 C ATOM 485 C THR A 28 -14.645 -5.559 5.001 1.00 0.00 C ATOM 486 O THR A 28 -15.152 -6.548 4.468 1.00 0.00 O ATOM 487 CB THR A 28 -16.660 -4.830 6.264 1.00 0.00 C ATOM 488 OG1 THR A 28 -17.455 -3.732 6.678 1.00 0.00 O ATOM 489 CG2 THR A 28 -16.198 -5.569 7.509 1.00 0.00 C ATOM 0 H THR A 28 -16.244 -4.234 3.449 1.00 0.00 H new ATOM 0 HA THR A 28 -14.893 -3.666 5.984 1.00 0.00 H new ATOM 0 HB THR A 28 -17.240 -5.511 5.642 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.197 -4.055 7.230 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.066 -5.881 8.090 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.621 -6.447 7.218 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.575 -4.910 8.113 1.00 0.00 H new ATOM 497 N LEU A 29 -13.360 -5.475 5.296 1.00 0.00 N ATOM 498 CA LEU A 29 -12.439 -6.551 5.013 1.00 0.00 C ATOM 499 C LEU A 29 -12.408 -7.481 6.210 1.00 0.00 C ATOM 500 O LEU A 29 -12.020 -7.075 7.306 1.00 0.00 O ATOM 501 CB LEU A 29 -11.042 -6.006 4.729 1.00 0.00 C ATOM 502 CG LEU A 29 -10.405 -6.534 3.447 1.00 0.00 C ATOM 503 CD1 LEU A 29 -10.280 -8.047 3.508 1.00 0.00 C ATOM 504 CD2 LEU A 29 -11.222 -6.115 2.236 1.00 0.00 C ATOM 0 H LEU A 29 -12.931 -4.661 5.736 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.770 -7.093 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.095 -4.919 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.393 -6.250 5.570 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.407 -6.106 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.824 -8.412 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.657 -8.327 4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.269 -8.489 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.754 -6.500 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.232 -6.517 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.268 -5.027 2.187 1.00 0.00 H new ATOM 516 N SER A 30 -12.852 -8.714 6.004 1.00 0.00 N ATOM 517 CA SER A 30 -12.909 -9.696 7.078 1.00 0.00 C ATOM 518 C SER A 30 -11.736 -10.664 7.018 1.00 0.00 C ATOM 519 O SER A 30 -11.133 -10.865 5.963 1.00 0.00 O ATOM 520 CB SER A 30 -14.223 -10.476 7.003 1.00 0.00 C ATOM 521 OG SER A 30 -14.417 -11.022 5.709 1.00 0.00 O ATOM 0 H SER A 30 -13.178 -9.058 5.101 1.00 0.00 H new ATOM 0 HA SER A 30 -12.853 -9.156 8.023 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.217 -11.277 7.742 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.055 -9.818 7.252 1.00 0.00 H new ATOM 0 HG SER A 30 -13.689 -10.734 5.120 1.00 0.00 H new ATOM 527 N SER A 31 -11.432 -11.273 8.158 1.00 0.00 N ATOM 528 CA SER A 31 -10.345 -12.240 8.243 1.00 0.00 C ATOM 529 C SER A 31 -10.770 -13.591 7.661 1.00 0.00 C ATOM 530 O SER A 31 -9.979 -14.533 7.618 1.00 0.00 O ATOM 531 CB SER A 31 -9.901 -12.417 9.697 1.00 0.00 C ATOM 532 OG SER A 31 -10.764 -13.301 10.392 1.00 0.00 O ATOM 0 H SER A 31 -11.924 -11.114 9.037 1.00 0.00 H new ATOM 0 HA SER A 31 -9.508 -11.858 7.659 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.882 -12.803 9.725 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.889 -11.448 10.197 1.00 0.00 H new ATOM 0 HG SER A 31 -11.264 -12.803 11.072 1.00 0.00 H new ATOM 538 N ASN A 32 -12.023 -13.677 7.212 1.00 0.00 N ATOM 539 CA ASN A 32 -12.556 -14.905 6.631 1.00 0.00 C ATOM 540 C ASN A 32 -12.299 -14.962 5.133 1.00 0.00 C ATOM 541 O ASN A 32 -13.042 -15.603 4.390 1.00 0.00 O ATOM 542 CB ASN A 32 -14.056 -15.018 6.911 1.00 0.00 C ATOM 543 CG ASN A 32 -14.487 -16.446 7.179 1.00 0.00 C ATOM 544 OD1 ASN A 32 -14.730 -17.218 6.253 1.00 0.00 O ATOM 545 ND2 ASN A 32 -14.586 -16.803 8.455 1.00 0.00 N ATOM 0 H ASN A 32 -12.689 -12.905 7.241 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.042 -15.746 7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.310 -14.397 7.770 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.612 -14.627 6.059 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.873 -17.751 8.699 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.374 -16.129 9.191 1.00 0.00 H new ATOM 552 N GLY A 33 -11.251 -14.276 4.691 1.00 0.00 N ATOM 553 CA GLY A 33 -10.932 -14.255 3.280 1.00 0.00 C ATOM 554 C GLY A 33 -12.095 -13.745 2.465 1.00 0.00 C ATOM 555 O GLY A 33 -12.396 -14.270 1.394 1.00 0.00 O ATOM 0 H GLY A 33 -10.620 -13.737 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.061 -13.622 3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.666 -15.259 2.950 1.00 0.00 H new ATOM 559 N PHE A 34 -12.761 -12.722 2.987 1.00 0.00 N ATOM 560 CA PHE A 34 -13.910 -12.143 2.314 1.00 0.00 C ATOM 561 C PHE A 34 -13.898 -10.626 2.387 1.00 0.00 C ATOM 562 O PHE A 34 -13.488 -10.038 3.390 1.00 0.00 O ATOM 563 CB PHE A 34 -15.201 -12.678 2.929 1.00 0.00 C ATOM 564 CG PHE A 34 -16.099 -13.323 1.923 1.00 0.00 C ATOM 565 CD1 PHE A 34 -16.723 -12.563 0.950 1.00 0.00 C ATOM 566 CD2 PHE A 34 -16.309 -14.688 1.945 1.00 0.00 C ATOM 567 CE1 PHE A 34 -17.544 -13.157 0.010 1.00 0.00 C ATOM 568 CE2 PHE A 34 -17.129 -15.291 1.012 1.00 0.00 C ATOM 569 CZ PHE A 34 -17.748 -14.524 0.042 1.00 0.00 C ATOM 0 H PHE A 34 -12.523 -12.279 3.874 1.00 0.00 H new ATOM 0 HA PHE A 34 -13.857 -12.430 1.264 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -14.955 -13.402 3.706 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -15.734 -11.859 3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -16.567 -11.495 0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -15.826 -15.290 2.700 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -18.025 -12.555 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -17.287 -16.359 1.040 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.390 -14.992 -0.690 1.00 0.00 H new ATOM 579 N LEU A 35 -14.371 -10.000 1.319 1.00 0.00 N ATOM 580 CA LEU A 35 -14.442 -8.550 1.252 1.00 0.00 C ATOM 581 C LEU A 35 -15.843 -8.123 0.829 1.00 0.00 C ATOM 582 O LEU A 35 -16.291 -8.448 -0.270 1.00 0.00 O ATOM 583 CB LEU A 35 -13.396 -8.014 0.267 1.00 0.00 C ATOM 584 CG LEU A 35 -13.686 -6.628 -0.315 1.00 0.00 C ATOM 585 CD1 LEU A 35 -14.033 -5.638 0.791 1.00 0.00 C ATOM 586 CD2 LEU A 35 -12.498 -6.133 -1.128 1.00 0.00 C ATOM 0 H LEU A 35 -14.712 -10.477 0.485 1.00 0.00 H new ATOM 0 HA LEU A 35 -14.230 -8.135 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.430 -7.982 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.302 -8.722 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.547 -6.708 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.235 -4.660 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.916 -5.986 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.196 -5.559 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.721 -5.147 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.619 -6.071 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.302 -6.827 -1.946 1.00 0.00 H new ATOM 598 N LEU A 36 -16.537 -7.407 1.707 1.00 0.00 N ATOM 599 CA LEU A 36 -17.893 -6.958 1.416 1.00 0.00 C ATOM 600 C LEU A 36 -17.995 -5.440 1.452 1.00 0.00 C ATOM 601 O LEU A 36 -17.463 -4.794 2.351 1.00 0.00 O ATOM 602 CB LEU A 36 -18.891 -7.561 2.414 1.00 0.00 C ATOM 603 CG LEU A 36 -18.361 -8.724 3.253 1.00 0.00 C ATOM 604 CD1 LEU A 36 -17.489 -8.210 4.390 1.00 0.00 C ATOM 605 CD2 LEU A 36 -19.514 -9.556 3.794 1.00 0.00 C ATOM 0 H LEU A 36 -16.185 -7.126 2.622 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.138 -7.299 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -19.226 -6.772 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.767 -7.903 1.863 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.748 -9.360 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.121 -9.052 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.644 -7.657 3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.076 -7.552 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.120 -10.380 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.153 -8.931 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.096 -9.954 2.963 1.00 0.00 H new ATOM 617 N TYR A 37 -18.696 -4.879 0.476 1.00 0.00 N ATOM 618 CA TYR A 37 -18.882 -3.437 0.411 1.00 0.00 C ATOM 619 C TYR A 37 -20.309 -3.096 -0.012 1.00 0.00 C ATOM 620 O TYR A 37 -20.863 -3.713 -0.924 1.00 0.00 O ATOM 621 CB TYR A 37 -17.852 -2.800 -0.535 1.00 0.00 C ATOM 622 CG TYR A 37 -18.299 -2.675 -1.977 1.00 0.00 C ATOM 623 CD1 TYR A 37 -18.683 -3.790 -2.709 1.00 0.00 C ATOM 624 CD2 TYR A 37 -18.325 -1.436 -2.609 1.00 0.00 C ATOM 625 CE1 TYR A 37 -19.083 -3.676 -4.028 1.00 0.00 C ATOM 626 CE2 TYR A 37 -18.722 -1.313 -3.926 1.00 0.00 C ATOM 627 CZ TYR A 37 -19.099 -2.436 -4.631 1.00 0.00 C ATOM 628 OH TYR A 37 -19.495 -2.320 -5.944 1.00 0.00 O ATOM 0 H TYR A 37 -19.144 -5.399 -0.279 1.00 0.00 H new ATOM 0 HA TYR A 37 -18.722 -3.023 1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.602 -1.807 -0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -16.937 -3.392 -0.504 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.669 -4.763 -2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.029 -0.554 -2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.381 -4.553 -4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.737 -0.343 -4.401 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.451 -1.380 -6.217 1.00 0.00 H new ATOM 638 N HIS A 38 -20.901 -2.120 0.667 1.00 0.00 N ATOM 639 CA HIS A 38 -22.264 -1.702 0.375 1.00 0.00 C ATOM 640 C HIS A 38 -22.298 -0.256 -0.114 1.00 0.00 C ATOM 641 O HIS A 38 -21.360 0.508 0.117 1.00 0.00 O ATOM 642 CB HIS A 38 -23.150 -1.847 1.616 1.00 0.00 C ATOM 643 CG HIS A 38 -22.930 -3.112 2.394 1.00 0.00 C ATOM 644 ND1 HIS A 38 -21.687 -3.530 2.831 1.00 0.00 N ATOM 645 CD2 HIS A 38 -23.810 -4.051 2.825 1.00 0.00 C ATOM 646 CE1 HIS A 38 -21.815 -4.669 3.490 1.00 0.00 C ATOM 647 NE2 HIS A 38 -23.090 -5.004 3.500 1.00 0.00 N ATOM 0 H HIS A 38 -20.456 -1.603 1.425 1.00 0.00 H new ATOM 0 HA HIS A 38 -22.648 -2.348 -0.414 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -22.974 -0.996 2.274 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -24.195 -1.802 1.308 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -24.878 -4.048 2.666 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -21.011 -5.230 3.943 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -23.479 -5.838 3.939 1.00 0.00 H new ATOM 656 N PRO A 39 -23.386 0.141 -0.797 1.00 0.00 N ATOM 657 CA PRO A 39 -23.542 1.504 -1.318 1.00 0.00 C ATOM 658 C PRO A 39 -23.223 2.571 -0.275 1.00 0.00 C ATOM 659 O PRO A 39 -22.518 3.539 -0.560 1.00 0.00 O ATOM 660 CB PRO A 39 -25.018 1.563 -1.707 1.00 0.00 C ATOM 661 CG PRO A 39 -25.380 0.154 -2.028 1.00 0.00 C ATOM 662 CD PRO A 39 -24.549 -0.709 -1.115 1.00 0.00 C ATOM 0 HA PRO A 39 -22.858 1.705 -2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.627 1.953 -0.892 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -25.176 2.218 -2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.444 -0.021 -1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -25.173 -0.073 -3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.099 -0.988 -0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.247 -1.635 -1.604 1.00 0.00 H new ATOM 670 N SER A 40 -23.748 2.392 0.934 1.00 0.00 N ATOM 671 CA SER A 40 -23.519 3.341 2.017 1.00 0.00 C ATOM 672 C SER A 40 -23.719 2.677 3.374 1.00 0.00 C ATOM 673 O SER A 40 -23.868 1.459 3.464 1.00 0.00 O ATOM 674 CB SER A 40 -24.461 4.539 1.878 1.00 0.00 C ATOM 675 OG SER A 40 -23.881 5.711 2.426 1.00 0.00 O ATOM 0 H SER A 40 -24.335 1.597 1.188 1.00 0.00 H new ATOM 0 HA SER A 40 -22.488 3.688 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 40 -24.693 4.702 0.826 1.00 0.00 H new ATOM 0 HB3 SER A 40 -25.403 4.325 2.383 1.00 0.00 H new ATOM 0 HG SER A 40 -24.502 6.462 2.323 1.00 0.00 H new ATOM 681 N ILE A 41 -23.722 3.486 4.431 1.00 0.00 N ATOM 682 CA ILE A 41 -23.906 2.972 5.783 1.00 0.00 C ATOM 683 C ILE A 41 -25.297 2.366 5.949 1.00 0.00 C ATOM 684 O ILE A 41 -25.445 1.290 6.525 1.00 0.00 O ATOM 685 CB ILE A 41 -23.678 4.074 6.840 1.00 0.00 C ATOM 686 CG1 ILE A 41 -22.202 4.478 6.859 1.00 0.00 C ATOM 687 CG2 ILE A 41 -24.116 3.603 8.222 1.00 0.00 C ATOM 688 CD1 ILE A 41 -21.824 5.446 5.760 1.00 0.00 C ATOM 0 H ILE A 41 -23.599 4.497 4.376 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.162 2.191 5.939 1.00 0.00 H new ATOM 0 HB ILE A 41 -24.283 4.941 6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.970 4.929 7.824 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -21.588 3.582 6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -23.945 4.398 8.948 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -25.177 3.352 8.202 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -23.540 2.722 8.506 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -20.764 5.687 5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -22.024 4.991 4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -22.412 6.358 5.861 1.00 0.00 H new ATOM 700 N ASN A 42 -26.313 3.049 5.429 1.00 0.00 N ATOM 701 CA ASN A 42 -27.684 2.553 5.512 1.00 0.00 C ATOM 702 C ASN A 42 -27.753 1.114 4.999 1.00 0.00 C ATOM 703 O ASN A 42 -28.614 0.331 5.400 1.00 0.00 O ATOM 704 CB ASN A 42 -28.622 3.444 4.694 1.00 0.00 C ATOM 705 CG ASN A 42 -28.258 3.473 3.225 1.00 0.00 C ATOM 706 OD1 ASN A 42 -27.618 4.413 2.749 1.00 0.00 O ATOM 707 ND2 ASN A 42 -28.661 2.441 2.493 1.00 0.00 N ATOM 0 H ASN A 42 -26.214 3.943 4.948 1.00 0.00 H new ATOM 0 HA ASN A 42 -28.000 2.575 6.555 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -29.646 3.087 4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -28.594 4.458 5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -28.443 2.406 1.497 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -29.189 1.683 2.927 1.00 0.00 H new ATOM 714 N ASP A 43 -26.833 0.768 4.108 1.00 0.00 N ATOM 715 CA ASP A 43 -26.784 -0.572 3.550 1.00 0.00 C ATOM 716 C ASP A 43 -26.179 -1.554 4.550 1.00 0.00 C ATOM 717 O ASP A 43 -26.647 -2.684 4.683 1.00 0.00 O ATOM 718 CB ASP A 43 -25.985 -0.572 2.248 1.00 0.00 C ATOM 719 CG ASP A 43 -26.506 0.448 1.255 1.00 0.00 C ATOM 720 OD1 ASP A 43 -26.250 1.654 1.453 1.00 0.00 O ATOM 721 OD2 ASP A 43 -27.169 0.039 0.278 1.00 0.00 O ATOM 0 H ASP A 43 -26.112 1.399 3.758 1.00 0.00 H new ATOM 0 HA ASP A 43 -27.803 -0.893 3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -24.938 -0.362 2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -26.024 -1.565 1.800 1.00 0.00 H new ATOM 726 N TYR A 44 -25.143 -1.111 5.259 1.00 0.00 N ATOM 727 CA TYR A 44 -24.484 -1.951 6.257 1.00 0.00 C ATOM 728 C TYR A 44 -25.382 -2.113 7.482 1.00 0.00 C ATOM 729 O TYR A 44 -25.642 -3.225 7.940 1.00 0.00 O ATOM 730 CB TYR A 44 -23.131 -1.334 6.652 1.00 0.00 C ATOM 731 CG TYR A 44 -22.828 -1.367 8.137 1.00 0.00 C ATOM 732 CD1 TYR A 44 -22.295 -2.505 8.732 1.00 0.00 C ATOM 733 CD2 TYR A 44 -23.076 -0.262 8.941 1.00 0.00 C ATOM 734 CE1 TYR A 44 -22.018 -2.539 10.085 1.00 0.00 C ATOM 735 CE2 TYR A 44 -22.800 -0.288 10.294 1.00 0.00 C ATOM 736 CZ TYR A 44 -22.272 -1.428 10.862 1.00 0.00 C ATOM 737 OH TYR A 44 -21.997 -1.458 12.211 1.00 0.00 O ATOM 0 H TYR A 44 -24.743 -0.178 5.162 1.00 0.00 H new ATOM 0 HA TYR A 44 -24.303 -2.938 5.831 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -22.338 -1.861 6.122 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -23.107 -0.298 6.313 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -22.094 -3.377 8.127 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -23.492 0.632 8.501 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -21.605 -3.431 10.532 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -22.997 0.581 10.904 1.00 0.00 H new ATOM 0 HH TYR A 44 -22.233 -0.595 12.612 1.00 0.00 H new ATOM 747 N ILE A 45 -25.854 -0.984 7.996 1.00 0.00 N ATOM 748 CA ILE A 45 -26.731 -0.963 9.159 1.00 0.00 C ATOM 749 C ILE A 45 -27.974 -1.810 8.918 1.00 0.00 C ATOM 750 O ILE A 45 -28.239 -2.778 9.629 1.00 0.00 O ATOM 751 CB ILE A 45 -27.159 0.494 9.480 1.00 0.00 C ATOM 752 CG1 ILE A 45 -26.065 1.201 10.277 1.00 0.00 C ATOM 753 CG2 ILE A 45 -28.491 0.547 10.230 1.00 0.00 C ATOM 754 CD1 ILE A 45 -26.256 2.699 10.362 1.00 0.00 C ATOM 0 H ILE A 45 -25.640 -0.060 7.620 1.00 0.00 H new ATOM 0 HA ILE A 45 -26.180 -1.378 10.003 1.00 0.00 H new ATOM 0 HB ILE A 45 -27.302 1.013 8.532 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -26.036 0.788 11.285 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -25.099 0.991 9.819 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -28.752 1.585 10.434 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -29.270 0.090 9.620 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -28.401 0.004 11.171 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -25.444 3.137 10.942 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -26.255 3.123 9.358 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -27.207 2.918 10.847 1.00 0.00 H new ATOM 766 N HIS A 46 -28.732 -1.410 7.914 1.00 0.00 N ATOM 767 CA HIS A 46 -29.967 -2.081 7.548 1.00 0.00 C ATOM 768 C HIS A 46 -29.700 -3.419 6.861 1.00 0.00 C ATOM 769 O HIS A 46 -30.533 -4.325 6.902 1.00 0.00 O ATOM 770 CB HIS A 46 -30.798 -1.139 6.680 1.00 0.00 C ATOM 771 CG HIS A 46 -30.898 0.233 7.286 1.00 0.00 C ATOM 772 ND1 HIS A 46 -29.957 1.190 7.476 1.00 0.00 N flip ATOM 773 CD2 HIS A 46 -32.057 0.735 7.839 1.00 0.00 C flip ATOM 774 CE1 HIS A 46 -30.551 2.232 8.129 1.00 0.00 C flip ATOM 775 NE2 HIS A 46 -31.815 1.935 8.339 1.00 0.00 N flip ATOM 0 H HIS A 46 -28.508 -0.607 7.326 1.00 0.00 H new ATOM 0 HA HIS A 46 -30.532 -2.320 8.449 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -30.350 -1.067 5.689 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -31.798 -1.552 6.549 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -33.011 0.229 7.860 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -30.063 3.149 8.424 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -32.496 2.531 8.810 1.00 0.00 H new ATOM 784 N SER A 47 -28.525 -3.547 6.246 1.00 0.00 N ATOM 785 CA SER A 47 -28.137 -4.786 5.572 1.00 0.00 C ATOM 786 C SER A 47 -28.882 -4.979 4.256 1.00 0.00 C ATOM 787 O SER A 47 -29.733 -5.862 4.136 1.00 0.00 O ATOM 788 CB SER A 47 -28.375 -5.988 6.488 1.00 0.00 C ATOM 789 OG SER A 47 -28.149 -5.650 7.845 1.00 0.00 O ATOM 0 H SER A 47 -27.824 -2.807 6.200 1.00 0.00 H new ATOM 0 HA SER A 47 -27.074 -4.710 5.343 1.00 0.00 H new ATOM 0 HB2 SER A 47 -29.397 -6.346 6.365 1.00 0.00 H new ATOM 0 HB3 SER A 47 -27.714 -6.805 6.199 1.00 0.00 H new ATOM 0 HG SER A 47 -28.310 -6.435 8.409 1.00 0.00 H new ATOM 795 N THR A 48 -28.537 -4.169 3.265 1.00 0.00 N ATOM 796 CA THR A 48 -29.150 -4.269 1.947 1.00 0.00 C ATOM 797 C THR A 48 -28.421 -5.328 1.123 1.00 0.00 C ATOM 798 O THR A 48 -27.851 -6.265 1.685 1.00 0.00 O ATOM 799 CB THR A 48 -29.119 -2.908 1.239 1.00 0.00 C ATOM 800 OG1 THR A 48 -27.794 -2.560 0.867 1.00 0.00 O ATOM 801 CG2 THR A 48 -29.673 -1.783 2.085 1.00 0.00 C ATOM 0 H THR A 48 -27.835 -3.434 3.348 1.00 0.00 H new ATOM 0 HA THR A 48 -30.193 -4.567 2.056 1.00 0.00 H new ATOM 0 HB THR A 48 -29.753 -3.026 0.360 1.00 0.00 H new ATOM 0 HG1 THR A 48 -27.773 -1.627 0.568 1.00 0.00 H new ATOM 0 HG21 THR A 48 -29.622 -0.849 1.526 1.00 0.00 H new ATOM 0 HG22 THR A 48 -30.711 -1.997 2.341 1.00 0.00 H new ATOM 0 HG23 THR A 48 -29.086 -1.692 2.999 1.00 0.00 H new ATOM 809 N HIS A 49 -28.436 -5.184 -0.202 1.00 0.00 N ATOM 810 CA HIS A 49 -27.766 -6.137 -1.090 1.00 0.00 C ATOM 811 C HIS A 49 -26.431 -6.593 -0.504 1.00 0.00 C ATOM 812 O HIS A 49 -26.197 -7.788 -0.316 1.00 0.00 O ATOM 813 CB HIS A 49 -27.543 -5.511 -2.467 1.00 0.00 C ATOM 814 CG HIS A 49 -27.445 -6.516 -3.572 1.00 0.00 C ATOM 815 ND1 HIS A 49 -26.738 -6.290 -4.735 1.00 0.00 N ATOM 816 CD2 HIS A 49 -27.969 -7.760 -3.688 1.00 0.00 C ATOM 817 CE1 HIS A 49 -26.833 -7.350 -5.518 1.00 0.00 C ATOM 818 NE2 HIS A 49 -27.573 -8.255 -4.906 1.00 0.00 N ATOM 0 H HIS A 49 -28.904 -4.417 -0.685 1.00 0.00 H new ATOM 0 HA HIS A 49 -28.411 -7.010 -1.192 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -28.362 -4.825 -2.682 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -26.629 -4.918 -2.444 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -28.583 -8.267 -2.959 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -26.382 -7.457 -6.493 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -27.812 -9.174 -5.278 1.00 0.00 H new ATOM 827 N GLY A 50 -25.567 -5.630 -0.210 1.00 0.00 N ATOM 828 CA GLY A 50 -24.271 -5.941 0.363 1.00 0.00 C ATOM 829 C GLY A 50 -23.440 -6.843 -0.522 1.00 0.00 C ATOM 830 O GLY A 50 -23.622 -8.061 -0.525 1.00 0.00 O ATOM 0 H GLY A 50 -25.741 -4.636 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.726 -5.014 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -24.413 -6.420 1.332 1.00 0.00 H new ATOM 834 N LYS A 51 -22.521 -6.247 -1.271 1.00 0.00 N ATOM 835 CA LYS A 51 -21.652 -7.008 -2.161 1.00 0.00 C ATOM 836 C LYS A 51 -20.572 -7.739 -1.368 1.00 0.00 C ATOM 837 O LYS A 51 -20.234 -7.342 -0.253 1.00 0.00 O ATOM 838 CB LYS A 51 -21.011 -6.082 -3.198 1.00 0.00 C ATOM 839 CG LYS A 51 -21.252 -6.519 -4.634 1.00 0.00 C ATOM 840 CD LYS A 51 -21.564 -5.335 -5.535 1.00 0.00 C ATOM 841 CE LYS A 51 -23.034 -5.299 -5.922 1.00 0.00 C ATOM 842 NZ LYS A 51 -23.489 -3.919 -6.249 1.00 0.00 N ATOM 0 H LYS A 51 -22.358 -5.240 -1.280 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.259 -7.750 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.402 -5.073 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.937 -6.035 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.371 -7.040 -5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.079 -7.228 -4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.299 -4.409 -5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.951 -5.390 -6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.199 -5.949 -6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.635 -5.695 -5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.496 -3.938 -6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.355 -3.304 -5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.933 -3.550 -7.047 1.00 0.00 H new ATOM 856 N GLU A 52 -20.035 -8.806 -1.951 1.00 0.00 N ATOM 857 CA GLU A 52 -18.992 -9.595 -1.302 1.00 0.00 C ATOM 858 C GLU A 52 -18.205 -10.396 -2.328 1.00 0.00 C ATOM 859 O GLU A 52 -18.705 -10.703 -3.410 1.00 0.00 O ATOM 860 CB GLU A 52 -19.602 -10.530 -0.256 1.00 0.00 C ATOM 861 CG GLU A 52 -20.512 -11.595 -0.847 1.00 0.00 C ATOM 862 CD GLU A 52 -21.283 -12.357 0.213 1.00 0.00 C ATOM 863 OE1 GLU A 52 -20.646 -12.863 1.160 1.00 0.00 O ATOM 864 OE2 GLU A 52 -22.523 -12.448 0.095 1.00 0.00 O ATOM 0 H GLU A 52 -20.305 -9.145 -2.874 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.308 -8.909 -0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.798 -11.017 0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -20.169 -9.937 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -21.215 -11.126 -1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.914 -12.296 -1.430 1.00 0.00 H new ATOM 871 N MET A 53 -16.965 -10.721 -1.986 1.00 0.00 N ATOM 872 CA MET A 53 -16.101 -11.474 -2.882 1.00 0.00 C ATOM 873 C MET A 53 -15.196 -12.424 -2.111 1.00 0.00 C ATOM 874 O MET A 53 -14.819 -12.152 -0.969 1.00 0.00 O ATOM 875 CB MET A 53 -15.245 -10.520 -3.703 1.00 0.00 C ATOM 876 CG MET A 53 -14.538 -9.474 -2.860 1.00 0.00 C ATOM 877 SD MET A 53 -13.478 -8.401 -3.841 1.00 0.00 S ATOM 878 CE MET A 53 -14.549 -8.098 -5.238 1.00 0.00 C ATOM 0 H MET A 53 -16.536 -10.474 -1.094 1.00 0.00 H new ATOM 0 HA MET A 53 -16.738 -12.063 -3.542 1.00 0.00 H new ATOM 0 HB2 MET A 53 -14.502 -11.094 -4.257 1.00 0.00 H new ATOM 0 HB3 MET A 53 -15.874 -10.019 -4.439 1.00 0.00 H new ATOM 0 HG2 MET A 53 -15.280 -8.869 -2.340 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.940 -9.971 -2.096 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.348 -7.106 -5.642 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.364 -8.848 -6.007 1.00 0.00 H new ATOM 0 HE3 MET A 53 -15.589 -8.155 -4.918 1.00 0.00 H new ATOM 888 N ASP A 54 -14.829 -13.525 -2.756 1.00 0.00 N ATOM 889 CA ASP A 54 -13.944 -14.506 -2.148 1.00 0.00 C ATOM 890 C ASP A 54 -12.497 -14.078 -2.340 1.00 0.00 C ATOM 891 O ASP A 54 -12.037 -13.904 -3.469 1.00 0.00 O ATOM 892 CB ASP A 54 -14.173 -15.889 -2.761 1.00 0.00 C ATOM 893 CG ASP A 54 -14.104 -16.999 -1.730 1.00 0.00 C ATOM 894 OD1 ASP A 54 -13.266 -16.903 -0.811 1.00 0.00 O ATOM 895 OD2 ASP A 54 -14.889 -17.963 -1.844 1.00 0.00 O ATOM 0 H ASP A 54 -15.132 -13.759 -3.701 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.162 -14.565 -1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.148 -15.910 -3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.426 -16.069 -3.534 1.00 0.00 H new ATOM 900 N LEU A 55 -11.783 -13.891 -1.238 1.00 0.00 N ATOM 901 CA LEU A 55 -10.390 -13.462 -1.294 1.00 0.00 C ATOM 902 C LEU A 55 -9.442 -14.647 -1.479 1.00 0.00 C ATOM 903 O LEU A 55 -8.371 -14.689 -0.875 1.00 0.00 O ATOM 904 CB LEU A 55 -10.025 -12.698 -0.021 1.00 0.00 C ATOM 905 CG LEU A 55 -10.355 -11.202 -0.037 1.00 0.00 C ATOM 906 CD1 LEU A 55 -10.805 -10.739 1.342 1.00 0.00 C ATOM 907 CD2 LEU A 55 -9.150 -10.397 -0.504 1.00 0.00 C ATOM 0 H LEU A 55 -12.144 -14.029 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.279 -12.806 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.543 -13.158 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.957 -12.816 0.160 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.173 -11.037 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.035 -9.674 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.695 -11.294 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.008 -10.917 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.401 -9.336 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.313 -10.568 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.872 -10.709 -1.511 1.00 0.00 H new ATOM 919 N LEU A 56 -9.828 -15.604 -2.317 1.00 0.00 N ATOM 920 CA LEU A 56 -8.994 -16.773 -2.571 1.00 0.00 C ATOM 921 C LEU A 56 -7.944 -16.470 -3.637 1.00 0.00 C ATOM 922 O LEU A 56 -6.742 -16.536 -3.376 1.00 0.00 O ATOM 923 CB LEU A 56 -9.858 -17.961 -3.001 1.00 0.00 C ATOM 924 CG LEU A 56 -9.737 -19.201 -2.115 1.00 0.00 C ATOM 925 CD1 LEU A 56 -10.724 -19.130 -0.961 1.00 0.00 C ATOM 926 CD2 LEU A 56 -9.961 -20.464 -2.934 1.00 0.00 C ATOM 0 H LEU A 56 -10.710 -15.593 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.478 -17.030 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.901 -17.645 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.591 -18.235 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.729 -19.233 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.624 -20.021 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.518 -18.244 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.739 -19.074 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.871 -21.337 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.958 -20.440 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.215 -20.521 -3.727 1.00 0.00 H new ATOM 938 N ARG A 57 -8.406 -16.139 -4.838 1.00 0.00 N ATOM 939 CA ARG A 57 -7.510 -15.828 -5.946 1.00 0.00 C ATOM 940 C ARG A 57 -7.718 -14.395 -6.425 1.00 0.00 C ATOM 941 O ARG A 57 -7.692 -14.120 -7.624 1.00 0.00 O ATOM 942 CB ARG A 57 -7.736 -16.803 -7.101 1.00 0.00 C ATOM 943 CG ARG A 57 -6.910 -18.077 -6.993 1.00 0.00 C ATOM 944 CD ARG A 57 -7.781 -19.320 -7.095 1.00 0.00 C ATOM 945 NE ARG A 57 -7.191 -20.330 -7.972 1.00 0.00 N ATOM 946 CZ ARG A 57 -7.723 -21.531 -8.180 1.00 0.00 C ATOM 947 NH1 ARG A 57 -8.854 -21.879 -7.578 1.00 0.00 N ATOM 948 NH2 ARG A 57 -7.122 -22.390 -8.993 1.00 0.00 N ATOM 0 H ARG A 57 -9.398 -16.079 -5.069 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.484 -15.929 -5.592 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.793 -17.067 -7.141 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.497 -16.303 -8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.159 -18.092 -7.783 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.374 -18.084 -6.044 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.927 -19.743 -6.101 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.766 -19.043 -7.472 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.321 -20.100 -8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.321 -21.223 -6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.256 -22.802 -7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.252 -22.129 -9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.529 -23.311 -9.153 1.00 0.00 H new ATOM 962 N THR A 58 -7.927 -13.485 -5.478 1.00 0.00 N ATOM 963 CA THR A 58 -8.142 -12.080 -5.804 1.00 0.00 C ATOM 964 C THR A 58 -6.819 -11.373 -6.071 1.00 0.00 C ATOM 965 O THR A 58 -5.754 -11.858 -5.689 1.00 0.00 O ATOM 966 CB THR A 58 -8.881 -11.379 -4.664 1.00 0.00 C ATOM 967 OG1 THR A 58 -8.698 -12.076 -3.447 1.00 0.00 O ATOM 968 CG2 THR A 58 -10.368 -11.249 -4.900 1.00 0.00 C ATOM 0 H THR A 58 -7.952 -13.696 -4.480 1.00 0.00 H new ATOM 0 HA THR A 58 -8.748 -12.033 -6.709 1.00 0.00 H new ATOM 0 HB THR A 58 -8.452 -10.378 -4.616 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.172 -12.933 -3.486 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.828 -10.742 -4.052 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.543 -10.670 -5.807 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.807 -12.241 -5.012 1.00 0.00 H new ATOM 976 N THR A 59 -6.898 -10.222 -6.726 1.00 0.00 N ATOM 977 CA THR A 59 -5.711 -9.437 -7.041 1.00 0.00 C ATOM 978 C THR A 59 -5.931 -7.970 -6.692 1.00 0.00 C ATOM 979 O THR A 59 -7.068 -7.511 -6.582 1.00 0.00 O ATOM 980 CB THR A 59 -5.351 -9.577 -8.524 1.00 0.00 C ATOM 981 OG1 THR A 59 -6.281 -10.413 -9.193 1.00 0.00 O ATOM 982 CG2 THR A 59 -3.971 -10.153 -8.750 1.00 0.00 C ATOM 0 H THR A 59 -7.773 -9.810 -7.050 1.00 0.00 H new ATOM 0 HA THR A 59 -4.883 -9.818 -6.443 1.00 0.00 H new ATOM 0 HB THR A 59 -5.376 -8.563 -8.924 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.033 -10.487 -10.138 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.778 -10.226 -9.820 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.226 -9.504 -8.290 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.913 -11.145 -8.302 1.00 0.00 H new ATOM 990 N VAL A 60 -4.837 -7.238 -6.523 1.00 0.00 N ATOM 991 CA VAL A 60 -4.911 -5.822 -6.190 1.00 0.00 C ATOM 992 C VAL A 60 -4.208 -4.979 -7.247 1.00 0.00 C ATOM 993 O VAL A 60 -3.030 -5.187 -7.538 1.00 0.00 O ATOM 994 CB VAL A 60 -4.284 -5.531 -4.813 1.00 0.00 C ATOM 995 CG1 VAL A 60 -5.235 -5.936 -3.698 1.00 0.00 C ATOM 996 CG2 VAL A 60 -2.948 -6.245 -4.671 1.00 0.00 C ATOM 0 H VAL A 60 -3.888 -7.602 -6.611 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.968 -5.557 -6.157 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.105 -4.459 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.776 -5.723 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.164 -5.373 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.448 -7.002 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.521 -6.027 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.098 -7.320 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.267 -5.900 -5.449 1.00 0.00 H new ATOM 1407 N PHE A 90 -4.923 8.273 -3.176 1.00 0.00 N ATOM 1408 CA PHE A 90 -4.699 6.879 -2.811 1.00 0.00 C ATOM 1409 C PHE A 90 -5.909 6.022 -3.176 1.00 0.00 C ATOM 1410 O PHE A 90 -6.967 6.122 -2.553 1.00 0.00 O ATOM 1411 CB PHE A 90 -4.401 6.769 -1.314 1.00 0.00 C ATOM 1412 CG PHE A 90 -3.048 7.305 -0.935 1.00 0.00 C ATOM 1413 CD1 PHE A 90 -2.669 8.590 -1.295 1.00 0.00 C ATOM 1414 CD2 PHE A 90 -2.154 6.523 -0.220 1.00 0.00 C ATOM 1415 CE1 PHE A 90 -1.427 9.083 -0.949 1.00 0.00 C ATOM 1416 CE2 PHE A 90 -0.908 7.014 0.129 1.00 0.00 C ATOM 1417 CZ PHE A 90 -0.546 8.295 -0.237 1.00 0.00 C ATOM 0 HA PHE A 90 -3.839 6.510 -3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.167 7.309 -0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.467 5.723 -1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.354 9.212 -1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.433 5.520 0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -1.145 10.085 -1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.220 6.396 0.687 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.426 8.680 0.034 1.00 0.00 H new ATOM 1427 N GLU A 91 -5.749 5.185 -4.199 1.00 0.00 N ATOM 1428 CA GLU A 91 -6.830 4.315 -4.659 1.00 0.00 C ATOM 1429 C GLU A 91 -6.306 2.922 -5.003 1.00 0.00 C ATOM 1430 O GLU A 91 -5.256 2.779 -5.632 1.00 0.00 O ATOM 1431 CB GLU A 91 -7.521 4.930 -5.882 1.00 0.00 C ATOM 1432 CG GLU A 91 -7.611 6.449 -5.848 1.00 0.00 C ATOM 1433 CD GLU A 91 -7.813 7.050 -7.225 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -7.144 6.594 -8.176 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -8.642 7.974 -7.354 1.00 0.00 O ATOM 0 H GLU A 91 -4.881 5.091 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.553 4.219 -3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.982 4.629 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.527 4.519 -5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.436 6.746 -5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.699 6.854 -5.409 1.00 0.00 H new ATOM 1442 N PHE A 92 -7.047 1.893 -4.589 1.00 0.00 N ATOM 1443 CA PHE A 92 -6.659 0.510 -4.858 1.00 0.00 C ATOM 1444 C PHE A 92 -7.819 -0.275 -5.470 1.00 0.00 C ATOM 1445 O PHE A 92 -8.981 -0.040 -5.143 1.00 0.00 O ATOM 1446 CB PHE A 92 -6.179 -0.174 -3.570 1.00 0.00 C ATOM 1447 CG PHE A 92 -7.244 -0.308 -2.516 1.00 0.00 C ATOM 1448 CD1 PHE A 92 -7.784 0.816 -1.910 1.00 0.00 C ATOM 1449 CD2 PHE A 92 -7.705 -1.558 -2.132 1.00 0.00 C ATOM 1450 CE1 PHE A 92 -8.764 0.695 -0.941 1.00 0.00 C ATOM 1451 CE2 PHE A 92 -8.686 -1.684 -1.164 1.00 0.00 C ATOM 1452 CZ PHE A 92 -9.216 -0.557 -0.569 1.00 0.00 C ATOM 0 H PHE A 92 -7.918 1.992 -4.067 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.839 0.525 -5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.800 -1.166 -3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.344 0.393 -3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.436 1.797 -2.198 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.294 -2.444 -2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.176 1.578 -0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.037 -2.664 -0.874 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.982 -0.653 0.186 1.00 0.00 H new ATOM 1462 N LEU A 93 -7.493 -1.204 -6.369 1.00 0.00 N ATOM 1463 CA LEU A 93 -8.508 -2.019 -7.035 1.00 0.00 C ATOM 1464 C LEU A 93 -8.528 -3.440 -6.477 1.00 0.00 C ATOM 1465 O LEU A 93 -7.505 -3.954 -6.024 1.00 0.00 O ATOM 1466 CB LEU A 93 -8.245 -2.063 -8.540 1.00 0.00 C ATOM 1467 CG LEU A 93 -8.594 -0.782 -9.301 1.00 0.00 C ATOM 1468 CD1 LEU A 93 -7.367 -0.223 -10.005 1.00 0.00 C ATOM 1469 CD2 LEU A 93 -9.710 -1.043 -10.304 1.00 0.00 C ATOM 0 H LEU A 93 -6.535 -1.410 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.479 -1.561 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.191 -2.287 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.815 -2.887 -8.968 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.943 -0.042 -8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.638 0.687 -10.540 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.597 0.004 -9.268 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.986 -0.960 -10.712 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.945 -0.121 -10.836 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.388 -1.801 -11.018 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.598 -1.394 -9.778 1.00 0.00 H new ATOM 1481 N ILE A 94 -9.701 -4.070 -6.522 1.00 0.00 N ATOM 1482 CA ILE A 94 -9.864 -5.433 -6.025 1.00 0.00 C ATOM 1483 C ILE A 94 -10.436 -6.336 -7.114 1.00 0.00 C ATOM 1484 O ILE A 94 -11.605 -6.219 -7.469 1.00 0.00 O ATOM 1485 CB ILE A 94 -10.807 -5.467 -4.805 1.00 0.00 C ATOM 1486 CG1 ILE A 94 -10.555 -4.263 -3.895 1.00 0.00 C ATOM 1487 CG2 ILE A 94 -10.639 -6.764 -4.032 1.00 0.00 C ATOM 1488 CD1 ILE A 94 -9.190 -4.272 -3.240 1.00 0.00 C ATOM 0 H ILE A 94 -10.554 -3.656 -6.899 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.879 -5.793 -5.729 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.834 -5.415 -5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.662 -3.349 -4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.321 -4.238 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.313 -6.767 -3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -10.873 -7.608 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.610 -6.849 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.083 -3.389 -2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.086 -5.168 -2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.417 -4.265 -4.009 1.00 0.00 H new ATOM 1500 N VAL A 95 -9.615 -7.236 -7.644 1.00 0.00 N ATOM 1501 CA VAL A 95 -10.066 -8.141 -8.696 1.00 0.00 C ATOM 1502 C VAL A 95 -10.431 -9.510 -8.136 1.00 0.00 C ATOM 1503 O VAL A 95 -9.610 -10.178 -7.510 1.00 0.00 O ATOM 1504 CB VAL A 95 -8.998 -8.314 -9.796 1.00 0.00 C ATOM 1505 CG1 VAL A 95 -9.487 -9.270 -10.879 1.00 0.00 C ATOM 1506 CG2 VAL A 95 -8.630 -6.966 -10.394 1.00 0.00 C ATOM 0 H VAL A 95 -8.641 -7.358 -7.366 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.954 -7.686 -9.134 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.105 -8.745 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.718 -9.377 -11.644 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.697 -10.244 -10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.396 -8.873 -11.331 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.876 -7.105 -11.168 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.517 -6.507 -10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.233 -6.318 -9.613 1.00 0.00 H new ATOM 1516 N SER A 96 -11.670 -9.924 -8.382 1.00 0.00 N ATOM 1517 CA SER A 96 -12.151 -11.219 -7.918 1.00 0.00 C ATOM 1518 C SER A 96 -11.851 -12.297 -8.952 1.00 0.00 C ATOM 1519 O SER A 96 -11.221 -12.030 -9.973 1.00 0.00 O ATOM 1520 CB SER A 96 -13.655 -11.160 -7.645 1.00 0.00 C ATOM 1521 OG SER A 96 -14.347 -10.561 -8.727 1.00 0.00 O ATOM 0 H SER A 96 -12.359 -9.380 -8.901 1.00 0.00 H new ATOM 0 HA SER A 96 -11.634 -11.468 -6.991 1.00 0.00 H new ATOM 0 HB2 SER A 96 -14.037 -12.167 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.840 -10.593 -6.733 1.00 0.00 H new ATOM 0 HG SER A 96 -14.219 -9.590 -8.699 1.00 0.00 H new ATOM 1527 N SER A 97 -12.308 -13.515 -8.682 1.00 0.00 N ATOM 1528 CA SER A 97 -12.082 -14.625 -9.600 1.00 0.00 C ATOM 1529 C SER A 97 -13.149 -14.669 -10.690 1.00 0.00 C ATOM 1530 O SER A 97 -13.093 -15.515 -11.583 1.00 0.00 O ATOM 1531 CB SER A 97 -12.056 -15.950 -8.836 1.00 0.00 C ATOM 1532 OG SER A 97 -12.041 -17.051 -9.728 1.00 0.00 O ATOM 0 H SER A 97 -12.833 -13.758 -7.842 1.00 0.00 H new ATOM 0 HA SER A 97 -11.115 -14.471 -10.079 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.176 -15.986 -8.194 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.928 -16.016 -8.186 1.00 0.00 H new ATOM 0 HG SER A 97 -12.113 -16.726 -10.650 1.00 0.00 H new ATOM 1538 N THR A 98 -14.112 -13.755 -10.623 1.00 0.00 N ATOM 1539 CA THR A 98 -15.174 -13.702 -11.621 1.00 0.00 C ATOM 1540 C THR A 98 -15.067 -12.441 -12.465 1.00 0.00 C ATOM 1541 O THR A 98 -16.038 -12.014 -13.090 1.00 0.00 O ATOM 1542 CB THR A 98 -16.546 -13.775 -10.949 1.00 0.00 C ATOM 1543 OG1 THR A 98 -17.578 -13.565 -11.895 1.00 0.00 O ATOM 1544 CG2 THR A 98 -16.725 -12.760 -9.841 1.00 0.00 C ATOM 0 H THR A 98 -14.179 -13.046 -9.893 1.00 0.00 H new ATOM 0 HA THR A 98 -15.060 -14.564 -12.279 1.00 0.00 H new ATOM 0 HB THR A 98 -16.603 -14.774 -10.516 1.00 0.00 H new ATOM 0 HG1 THR A 98 -17.457 -12.692 -12.323 1.00 0.00 H new ATOM 0 HG21 THR A 98 -17.719 -12.866 -9.407 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.973 -12.927 -9.070 1.00 0.00 H new ATOM 0 HG23 THR A 98 -16.612 -11.755 -10.247 1.00 0.00 H new ATOM 1552 N GLY A 99 -13.876 -11.856 -12.487 1.00 0.00 N ATOM 1553 CA GLY A 99 -13.652 -10.653 -13.270 1.00 0.00 C ATOM 1554 C GLY A 99 -14.142 -9.385 -12.590 1.00 0.00 C ATOM 1555 O GLY A 99 -13.740 -8.285 -12.969 1.00 0.00 O ATOM 0 H GLY A 99 -13.060 -12.193 -11.977 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.586 -10.556 -13.476 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.154 -10.757 -14.232 1.00 0.00 H new ATOM 1559 N GLN A 100 -15.009 -9.525 -11.589 1.00 0.00 N ATOM 1560 CA GLN A 100 -15.534 -8.365 -10.877 1.00 0.00 C ATOM 1561 C GLN A 100 -14.405 -7.600 -10.199 1.00 0.00 C ATOM 1562 O GLN A 100 -13.693 -8.147 -9.356 1.00 0.00 O ATOM 1563 CB GLN A 100 -16.577 -8.795 -9.844 1.00 0.00 C ATOM 1564 CG GLN A 100 -17.528 -7.679 -9.443 1.00 0.00 C ATOM 1565 CD GLN A 100 -18.759 -8.191 -8.721 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -18.912 -9.393 -8.507 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -19.646 -7.277 -8.344 1.00 0.00 N ATOM 0 H GLN A 100 -15.360 -10.423 -11.256 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.014 -7.707 -11.602 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -17.155 -9.627 -10.247 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -16.066 -9.163 -8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.002 -6.973 -8.800 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.836 -7.132 -10.334 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.478 -6.291 -8.543 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.495 -7.561 -7.856 1.00 0.00 H new ATOM 1576 N THR A 101 -14.239 -6.338 -10.578 1.00 0.00 N ATOM 1577 CA THR A 101 -13.183 -5.509 -10.009 1.00 0.00 C ATOM 1578 C THR A 101 -13.752 -4.353 -9.195 1.00 0.00 C ATOM 1579 O THR A 101 -14.404 -3.458 -9.736 1.00 0.00 O ATOM 1580 CB THR A 101 -12.282 -4.966 -11.120 1.00 0.00 C ATOM 1581 OG1 THR A 101 -11.998 -5.974 -12.073 1.00 0.00 O ATOM 1582 CG2 THR A 101 -10.963 -4.429 -10.611 1.00 0.00 C ATOM 0 H THR A 101 -14.819 -5.868 -11.273 1.00 0.00 H new ATOM 0 HA THR A 101 -12.597 -6.137 -9.338 1.00 0.00 H new ATOM 0 HB THR A 101 -12.840 -4.145 -11.570 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.422 -5.607 -12.776 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.373 -4.060 -11.450 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.148 -3.614 -9.911 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.417 -5.225 -10.105 1.00 0.00 H new ATOM 1590 N TRP A 102 -13.486 -4.368 -7.893 1.00 0.00 N ATOM 1591 CA TRP A 102 -13.950 -3.317 -7.000 1.00 0.00 C ATOM 1592 C TRP A 102 -12.882 -2.248 -6.841 1.00 0.00 C ATOM 1593 O TRP A 102 -11.893 -2.457 -6.138 1.00 0.00 O ATOM 1594 CB TRP A 102 -14.266 -3.879 -5.620 1.00 0.00 C ATOM 1595 CG TRP A 102 -15.381 -4.872 -5.587 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -16.068 -5.396 -6.642 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -15.930 -5.466 -4.414 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -17.013 -6.287 -6.189 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -16.948 -6.344 -4.821 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -15.653 -5.336 -3.053 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -17.691 -7.092 -3.905 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -16.392 -6.079 -2.156 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -17.392 -6.942 -2.584 1.00 0.00 C ATOM 0 H TRP A 102 -12.948 -5.102 -7.432 1.00 0.00 H new ATOM 0 HA TRP A 102 -14.851 -2.888 -7.439 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -13.368 -4.350 -5.221 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -14.515 -3.052 -4.955 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -15.896 -5.148 -7.679 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.657 -6.818 -6.775 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.877 -4.668 -2.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -18.472 -7.763 -4.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -16.189 -5.988 -1.099 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -17.947 -7.509 -1.851 1.00 0.00 H new ATOM 1614 N HIS A 103 -13.079 -1.100 -7.471 1.00 0.00 N ATOM 1615 CA HIS A 103 -12.113 -0.022 -7.352 1.00 0.00 C ATOM 1616 C HIS A 103 -12.544 0.952 -6.262 1.00 0.00 C ATOM 1617 O HIS A 103 -13.586 1.595 -6.368 1.00 0.00 O ATOM 1618 CB HIS A 103 -11.946 0.717 -8.680 1.00 0.00 C ATOM 1619 CG HIS A 103 -10.772 1.641 -8.675 1.00 0.00 C ATOM 1620 ND1 HIS A 103 -9.982 1.823 -7.562 1.00 0.00 N ATOM 1621 CD2 HIS A 103 -10.254 2.442 -9.638 1.00 0.00 C ATOM 1622 CE1 HIS A 103 -9.035 2.693 -7.832 1.00 0.00 C ATOM 1623 NE2 HIS A 103 -9.171 3.083 -9.086 1.00 0.00 N ATOM 0 H HIS A 103 -13.885 -0.894 -8.060 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.151 -0.458 -7.082 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.830 -0.009 -9.484 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.851 1.286 -8.892 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.622 2.555 -10.647 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.274 3.032 -7.144 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.570 3.752 -9.567 1.00 0.00 H new ATOM 1632 N PHE A 104 -11.743 1.055 -5.208 1.00 0.00 N ATOM 1633 CA PHE A 104 -12.062 1.948 -4.105 1.00 0.00 C ATOM 1634 C PHE A 104 -10.957 2.966 -3.865 1.00 0.00 C ATOM 1635 O PHE A 104 -9.828 2.808 -4.332 1.00 0.00 O ATOM 1636 CB PHE A 104 -12.298 1.156 -2.817 1.00 0.00 C ATOM 1637 CG PHE A 104 -13.347 0.084 -2.922 1.00 0.00 C ATOM 1638 CD1 PHE A 104 -14.519 0.303 -3.629 1.00 0.00 C ATOM 1639 CD2 PHE A 104 -13.164 -1.142 -2.298 1.00 0.00 C ATOM 1640 CE1 PHE A 104 -15.486 -0.681 -3.712 1.00 0.00 C ATOM 1641 CE2 PHE A 104 -14.129 -2.128 -2.380 1.00 0.00 C ATOM 1642 CZ PHE A 104 -15.291 -1.897 -3.086 1.00 0.00 C ATOM 0 H PHE A 104 -10.873 0.534 -5.096 1.00 0.00 H new ATOM 0 HA PHE A 104 -12.972 2.480 -4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.358 0.697 -2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.585 1.850 -2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.678 1.252 -4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.257 -1.328 -1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -16.395 -0.499 -4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -13.973 -3.079 -1.892 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.047 -2.665 -3.149 1.00 0.00 H new ATOM 1652 N GLU A 105 -11.295 4.001 -3.105 1.00 0.00 N ATOM 1653 CA GLU A 105 -10.351 5.051 -2.758 1.00 0.00 C ATOM 1654 C GLU A 105 -10.372 5.280 -1.251 1.00 0.00 C ATOM 1655 O GLU A 105 -11.303 5.890 -0.718 1.00 0.00 O ATOM 1656 CB GLU A 105 -10.685 6.346 -3.501 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.813 7.527 -3.099 1.00 0.00 C ATOM 1658 CD GLU A 105 -10.221 8.813 -3.788 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -10.576 8.761 -4.983 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -10.186 9.876 -3.130 1.00 0.00 O ATOM 0 H GLU A 105 -12.228 4.134 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.350 4.739 -3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.580 6.177 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.730 6.599 -3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.869 7.664 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.773 7.305 -3.339 1.00 0.00 H new ATOM 1667 N ALA A 106 -9.355 4.766 -0.569 1.00 0.00 N ATOM 1668 CA ALA A 106 -9.253 4.889 0.881 1.00 0.00 C ATOM 1669 C ALA A 106 -9.457 6.328 1.343 1.00 0.00 C ATOM 1670 O ALA A 106 -8.779 7.244 0.877 1.00 0.00 O ATOM 1671 CB ALA A 106 -7.901 4.370 1.352 1.00 0.00 C ATOM 0 H ALA A 106 -8.584 4.256 -1.001 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.047 4.287 1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.832 4.465 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.796 3.322 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.106 4.951 0.886 1.00 0.00 H new ATOM 1677 N ALA A 107 -10.390 6.517 2.273 1.00 0.00 N ATOM 1678 CA ALA A 107 -10.677 7.840 2.808 1.00 0.00 C ATOM 1679 C ALA A 107 -9.438 8.425 3.480 1.00 0.00 C ATOM 1680 O ALA A 107 -9.260 9.643 3.529 1.00 0.00 O ATOM 1681 CB ALA A 107 -11.836 7.773 3.792 1.00 0.00 C ATOM 0 H ALA A 107 -10.959 5.769 2.670 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.961 8.493 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.039 8.770 4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.723 7.395 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.577 7.106 4.614 1.00 0.00 H new ATOM 1687 N SER A 108 -8.581 7.544 3.989 1.00 0.00 N ATOM 1688 CA SER A 108 -7.353 7.959 4.650 1.00 0.00 C ATOM 1689 C SER A 108 -6.154 7.228 4.054 1.00 0.00 C ATOM 1690 O SER A 108 -6.250 6.056 3.687 1.00 0.00 O ATOM 1691 CB SER A 108 -7.438 7.686 6.154 1.00 0.00 C ATOM 1692 OG SER A 108 -6.819 8.723 6.896 1.00 0.00 O ATOM 0 H SER A 108 -8.718 6.534 3.955 1.00 0.00 H new ATOM 0 HA SER A 108 -7.224 9.030 4.494 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.483 7.595 6.452 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.957 6.735 6.382 1.00 0.00 H new ATOM 0 HG SER A 108 -6.888 8.526 7.854 1.00 0.00 H new ATOM 1698 N PHE A 109 -5.029 7.927 3.951 1.00 0.00 N ATOM 1699 CA PHE A 109 -3.816 7.343 3.389 1.00 0.00 C ATOM 1700 C PHE A 109 -3.395 6.098 4.163 1.00 0.00 C ATOM 1701 O PHE A 109 -3.065 5.071 3.570 1.00 0.00 O ATOM 1702 CB PHE A 109 -2.684 8.373 3.384 1.00 0.00 C ATOM 1703 CG PHE A 109 -2.969 9.574 2.524 1.00 0.00 C ATOM 1704 CD1 PHE A 109 -3.707 9.451 1.356 1.00 0.00 C ATOM 1705 CD2 PHE A 109 -2.496 10.827 2.883 1.00 0.00 C ATOM 1706 CE1 PHE A 109 -3.969 10.553 0.565 1.00 0.00 C ATOM 1707 CE2 PHE A 109 -2.755 11.932 2.094 1.00 0.00 C ATOM 1708 CZ PHE A 109 -3.492 11.794 0.934 1.00 0.00 C ATOM 0 H PHE A 109 -4.931 8.898 4.249 1.00 0.00 H new ATOM 0 HA PHE A 109 -4.029 7.046 2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -2.500 8.704 4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.769 7.894 3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -4.081 8.482 1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -1.919 10.941 3.789 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.546 10.443 -0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.381 12.903 2.384 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.695 12.657 0.316 1.00 0.00 H new ATOM 1718 N GLU A 110 -3.412 6.191 5.489 1.00 0.00 N ATOM 1719 CA GLU A 110 -3.034 5.064 6.333 1.00 0.00 C ATOM 1720 C GLU A 110 -3.976 3.886 6.106 1.00 0.00 C ATOM 1721 O GLU A 110 -3.546 2.731 6.050 1.00 0.00 O ATOM 1722 CB GLU A 110 -3.055 5.473 7.807 1.00 0.00 C ATOM 1723 CG GLU A 110 -1.838 6.276 8.234 1.00 0.00 C ATOM 1724 CD GLU A 110 -1.376 5.935 9.637 1.00 0.00 C ATOM 1725 OE1 GLU A 110 -1.073 4.750 9.891 1.00 0.00 O ATOM 1726 OE2 GLU A 110 -1.321 6.851 10.484 1.00 0.00 O ATOM 0 H GLU A 110 -3.682 7.031 6.000 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.022 4.759 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.953 6.060 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.122 4.576 8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -1.023 6.094 7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.072 7.339 8.181 1.00 0.00 H new ATOM 1733 N GLU A 111 -5.260 4.190 5.973 1.00 0.00 N ATOM 1734 CA GLU A 111 -6.270 3.165 5.750 1.00 0.00 C ATOM 1735 C GLU A 111 -6.071 2.485 4.399 1.00 0.00 C ATOM 1736 O GLU A 111 -6.326 1.290 4.253 1.00 0.00 O ATOM 1737 CB GLU A 111 -7.671 3.774 5.825 1.00 0.00 C ATOM 1738 CG GLU A 111 -8.706 2.848 6.443 1.00 0.00 C ATOM 1739 CD GLU A 111 -9.273 3.388 7.743 1.00 0.00 C ATOM 1740 OE1 GLU A 111 -8.691 3.099 8.808 1.00 0.00 O ATOM 1741 OE2 GLU A 111 -10.298 4.100 7.692 1.00 0.00 O ATOM 0 H GLU A 111 -5.627 5.141 6.016 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.165 2.414 6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.627 4.695 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.994 4.046 4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.519 2.693 5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.253 1.874 6.626 1.00 0.00 H new ATOM 1748 N ARG A 112 -5.614 3.250 3.412 1.00 0.00 N ATOM 1749 CA ARG A 112 -5.389 2.710 2.077 1.00 0.00 C ATOM 1750 C ARG A 112 -4.428 1.529 2.124 1.00 0.00 C ATOM 1751 O ARG A 112 -4.706 0.468 1.563 1.00 0.00 O ATOM 1752 CB ARG A 112 -4.836 3.788 1.143 1.00 0.00 C ATOM 1753 CG ARG A 112 -4.813 3.364 -0.317 1.00 0.00 C ATOM 1754 CD ARG A 112 -3.395 3.309 -0.863 1.00 0.00 C ATOM 1755 NE ARG A 112 -3.240 2.274 -1.882 1.00 0.00 N ATOM 1756 CZ ARG A 112 -2.066 1.766 -2.252 1.00 0.00 C ATOM 1757 NH1 ARG A 112 -0.943 2.194 -1.689 1.00 0.00 N ATOM 1758 NH2 ARG A 112 -2.016 0.828 -3.188 1.00 0.00 N ATOM 0 H ARG A 112 -5.393 4.241 3.511 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.349 2.366 1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -5.440 4.690 1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -3.824 4.046 1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.281 2.385 -0.419 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.404 4.063 -0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.132 4.278 -1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.699 3.120 -0.046 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.081 1.919 -2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.976 2.916 -0.969 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.047 1.801 -1.976 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.876 0.496 -3.624 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.117 0.438 -3.472 1.00 0.00 H new ATOM 1772 N ASP A 113 -3.299 1.712 2.799 1.00 0.00 N ATOM 1773 CA ASP A 113 -2.309 0.652 2.917 1.00 0.00 C ATOM 1774 C ASP A 113 -2.873 -0.513 3.717 1.00 0.00 C ATOM 1775 O ASP A 113 -2.697 -1.675 3.346 1.00 0.00 O ATOM 1776 CB ASP A 113 -1.027 1.175 3.568 1.00 0.00 C ATOM 1777 CG ASP A 113 -1.252 1.665 4.985 1.00 0.00 C ATOM 1778 OD1 ASP A 113 -1.458 0.820 5.881 1.00 0.00 O ATOM 1779 OD2 ASP A 113 -1.220 2.895 5.198 1.00 0.00 O ATOM 0 H ASP A 113 -3.048 2.581 3.270 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.064 0.301 1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.278 0.383 3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.624 1.989 2.966 1.00 0.00 H new ATOM 1784 N ALA A 114 -3.567 -0.202 4.809 1.00 0.00 N ATOM 1785 CA ALA A 114 -4.166 -1.239 5.638 1.00 0.00 C ATOM 1786 C ALA A 114 -5.091 -2.105 4.797 1.00 0.00 C ATOM 1787 O ALA A 114 -4.959 -3.327 4.771 1.00 0.00 O ATOM 1788 CB ALA A 114 -4.923 -0.623 6.806 1.00 0.00 C ATOM 0 H ALA A 114 -3.726 0.751 5.136 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.372 -1.865 6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.363 -1.415 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.236 -0.037 7.417 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.713 0.025 6.426 1.00 0.00 H new ATOM 1794 N TRP A 115 -6.012 -1.460 4.090 1.00 0.00 N ATOM 1795 CA TRP A 115 -6.942 -2.161 3.221 1.00 0.00 C ATOM 1796 C TRP A 115 -6.193 -2.999 2.199 1.00 0.00 C ATOM 1797 O TRP A 115 -6.395 -4.208 2.113 1.00 0.00 O ATOM 1798 CB TRP A 115 -7.837 -1.157 2.514 1.00 0.00 C ATOM 1799 CG TRP A 115 -9.036 -0.807 3.323 1.00 0.00 C ATOM 1800 CD1 TRP A 115 -9.196 0.281 4.122 1.00 0.00 C ATOM 1801 CD2 TRP A 115 -10.231 -1.569 3.433 1.00 0.00 C ATOM 1802 NE1 TRP A 115 -10.434 0.259 4.704 1.00 0.00 N ATOM 1803 CE2 TRP A 115 -11.090 -0.869 4.297 1.00 0.00 C ATOM 1804 CE3 TRP A 115 -10.664 -2.770 2.877 1.00 0.00 C ATOM 1805 CZ2 TRP A 115 -12.356 -1.337 4.615 1.00 0.00 C ATOM 1806 CZ3 TRP A 115 -11.924 -3.227 3.203 1.00 0.00 C ATOM 1807 CH2 TRP A 115 -12.752 -2.515 4.057 1.00 0.00 C ATOM 0 H TRP A 115 -6.132 -0.447 4.104 1.00 0.00 H new ATOM 0 HA TRP A 115 -7.554 -2.827 3.829 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -7.268 -0.252 2.301 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -8.154 -1.567 1.555 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -8.454 1.051 4.275 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -10.806 0.967 5.337 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -10.029 -3.330 2.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -13.005 -0.787 5.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.273 -4.159 2.784 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.734 -2.903 4.285 1.00 0.00 H new ATOM 1818 N VAL A 116 -5.312 -2.354 1.435 1.00 0.00 N ATOM 1819 CA VAL A 116 -4.527 -3.058 0.431 1.00 0.00 C ATOM 1820 C VAL A 116 -3.808 -4.244 1.061 1.00 0.00 C ATOM 1821 O VAL A 116 -3.688 -5.309 0.451 1.00 0.00 O ATOM 1822 CB VAL A 116 -3.504 -2.120 -0.243 1.00 0.00 C ATOM 1823 CG1 VAL A 116 -2.632 -2.883 -1.234 1.00 0.00 C ATOM 1824 CG2 VAL A 116 -4.217 -0.964 -0.930 1.00 0.00 C ATOM 0 H VAL A 116 -5.127 -1.353 1.494 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.213 -3.418 -0.336 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.852 -1.714 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.920 -2.198 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.091 -3.671 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.261 -3.326 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.482 -0.311 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.895 -1.354 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.786 -0.398 -0.193 1.00 0.00 H new ATOM 1834 N GLN A 117 -3.357 -4.064 2.300 1.00 0.00 N ATOM 1835 CA GLN A 117 -2.680 -5.129 3.020 1.00 0.00 C ATOM 1836 C GLN A 117 -3.699 -6.151 3.506 1.00 0.00 C ATOM 1837 O GLN A 117 -3.402 -7.341 3.619 1.00 0.00 O ATOM 1838 CB GLN A 117 -1.891 -4.566 4.203 1.00 0.00 C ATOM 1839 CG GLN A 117 -0.610 -5.327 4.496 1.00 0.00 C ATOM 1840 CD GLN A 117 0.570 -4.814 3.692 1.00 0.00 C ATOM 1841 OE1 GLN A 117 1.226 -3.846 4.078 1.00 0.00 O ATOM 1842 NE2 GLN A 117 0.844 -5.463 2.567 1.00 0.00 N ATOM 0 H GLN A 117 -3.450 -3.192 2.821 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.978 -5.616 2.343 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.646 -3.523 4.003 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.523 -4.580 5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -0.381 -5.251 5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.762 -6.384 4.278 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.273 -6.260 2.286 1.00 0.00 H new ATOM 0 HE22 GLN A 117 1.625 -5.164 1.983 1.00 0.00 H new ATOM 1851 N ALA A 118 -4.915 -5.678 3.779 1.00 0.00 N ATOM 1852 CA ALA A 118 -5.987 -6.545 4.237 1.00 0.00 C ATOM 1853 C ALA A 118 -6.443 -7.461 3.112 1.00 0.00 C ATOM 1854 O ALA A 118 -6.772 -8.626 3.339 1.00 0.00 O ATOM 1855 CB ALA A 118 -7.153 -5.719 4.760 1.00 0.00 C ATOM 0 H ALA A 118 -5.177 -4.696 3.689 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.610 -7.161 5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -7.947 -6.384 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.817 -5.101 5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.532 -5.079 3.963 1.00 0.00 H new ATOM 1861 N ILE A 119 -6.450 -6.930 1.893 1.00 0.00 N ATOM 1862 CA ILE A 119 -6.854 -7.710 0.732 1.00 0.00 C ATOM 1863 C ILE A 119 -5.826 -8.795 0.443 1.00 0.00 C ATOM 1864 O ILE A 119 -6.167 -9.971 0.335 1.00 0.00 O ATOM 1865 CB ILE A 119 -7.034 -6.838 -0.533 1.00 0.00 C ATOM 1866 CG1 ILE A 119 -7.593 -5.451 -0.184 1.00 0.00 C ATOM 1867 CG2 ILE A 119 -7.945 -7.539 -1.528 1.00 0.00 C ATOM 1868 CD1 ILE A 119 -8.723 -5.474 0.820 1.00 0.00 C ATOM 0 H ILE A 119 -6.182 -5.968 1.686 1.00 0.00 H new ATOM 0 HA ILE A 119 -7.819 -8.156 0.974 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.052 -6.697 -0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.785 -4.834 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.944 -4.972 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -8.064 -6.916 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -7.505 -8.495 -1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.920 -7.710 -1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.060 -4.455 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -9.551 -6.062 0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.374 -5.922 1.751 1.00 0.00 H new ATOM 1880 N GLU A 120 -4.562 -8.397 0.336 1.00 0.00 N ATOM 1881 CA GLU A 120 -3.488 -9.348 0.077 1.00 0.00 C ATOM 1882 C GLU A 120 -3.337 -10.304 1.252 1.00 0.00 C ATOM 1883 O GLU A 120 -2.996 -11.475 1.077 1.00 0.00 O ATOM 1884 CB GLU A 120 -2.170 -8.614 -0.175 1.00 0.00 C ATOM 1885 CG GLU A 120 -2.215 -7.675 -1.370 1.00 0.00 C ATOM 1886 CD GLU A 120 -1.873 -8.373 -2.673 1.00 0.00 C ATOM 1887 OE1 GLU A 120 -2.632 -9.278 -3.078 1.00 0.00 O ATOM 1888 OE2 GLU A 120 -0.846 -8.014 -3.287 1.00 0.00 O ATOM 0 H GLU A 120 -4.258 -7.427 0.424 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.743 -9.921 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.906 -8.043 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.379 -9.348 -0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.211 -7.238 -1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.517 -6.853 -1.208 1.00 0.00 H new ATOM 1895 N SER A 121 -3.605 -9.800 2.453 1.00 0.00 N ATOM 1896 CA SER A 121 -3.511 -10.610 3.659 1.00 0.00 C ATOM 1897 C SER A 121 -4.553 -11.721 3.634 1.00 0.00 C ATOM 1898 O SER A 121 -4.276 -12.857 4.017 1.00 0.00 O ATOM 1899 CB SER A 121 -3.700 -9.741 4.905 1.00 0.00 C ATOM 1900 OG SER A 121 -3.745 -10.535 6.078 1.00 0.00 O ATOM 0 H SER A 121 -3.889 -8.834 2.615 1.00 0.00 H new ATOM 0 HA SER A 121 -2.519 -11.059 3.694 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.883 -9.023 4.979 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.622 -9.167 4.815 1.00 0.00 H new ATOM 0 HG SER A 121 -3.865 -9.957 6.860 1.00 0.00 H new ATOM 1906 N GLN A 122 -5.751 -11.384 3.170 1.00 0.00 N ATOM 1907 CA GLN A 122 -6.832 -12.354 3.082 1.00 0.00 C ATOM 1908 C GLN A 122 -6.530 -13.389 2.007 1.00 0.00 C ATOM 1909 O GLN A 122 -6.906 -14.555 2.125 1.00 0.00 O ATOM 1910 CB GLN A 122 -8.158 -11.652 2.779 1.00 0.00 C ATOM 1911 CG GLN A 122 -9.009 -11.402 4.012 1.00 0.00 C ATOM 1912 CD GLN A 122 -8.290 -10.574 5.059 1.00 0.00 C ATOM 1913 OE1 GLN A 122 -8.388 -9.348 5.072 1.00 0.00 O ATOM 1914 NE2 GLN A 122 -7.561 -11.244 5.944 1.00 0.00 N ATOM 0 H GLN A 122 -5.996 -10.447 2.850 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.917 -12.861 4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -7.952 -10.700 2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.726 -12.256 2.072 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.927 -10.892 3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.301 -12.358 4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.508 -12.261 5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.054 -10.741 6.672 1.00 0.00 H new ATOM 1923 N ILE A 123 -5.839 -12.954 0.957 1.00 0.00 N ATOM 1924 CA ILE A 123 -5.478 -13.841 -0.139 1.00 0.00 C ATOM 1925 C ILE A 123 -4.375 -14.804 0.280 1.00 0.00 C ATOM 1926 O ILE A 123 -4.358 -15.963 -0.133 1.00 0.00 O ATOM 1927 CB ILE A 123 -5.020 -13.051 -1.380 1.00 0.00 C ATOM 1928 CG1 ILE A 123 -6.057 -11.994 -1.752 1.00 0.00 C ATOM 1929 CG2 ILE A 123 -4.787 -13.992 -2.548 1.00 0.00 C ATOM 1930 CD1 ILE A 123 -5.462 -10.767 -2.410 1.00 0.00 C ATOM 0 H ILE A 123 -5.519 -11.992 0.844 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.373 -14.408 -0.397 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.082 -12.549 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -6.790 -12.438 -2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.593 -11.690 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.464 -13.420 -3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.017 -14.716 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -5.713 -14.517 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -6.257 -10.059 -2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.750 -10.299 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -4.951 -11.058 -3.328 1.00 0.00 H new ATOM 1942 N LEU A 124 -3.459 -14.318 1.110 1.00 0.00 N ATOM 1943 CA LEU A 124 -2.356 -15.142 1.591 1.00 0.00 C ATOM 1944 C LEU A 124 -2.870 -16.229 2.530 1.00 0.00 C ATOM 1945 O LEU A 124 -2.393 -17.362 2.504 1.00 0.00 O ATOM 1946 CB LEU A 124 -1.317 -14.276 2.308 1.00 0.00 C ATOM 1947 CG LEU A 124 -0.120 -13.860 1.450 1.00 0.00 C ATOM 1948 CD1 LEU A 124 -0.525 -12.786 0.452 1.00 0.00 C ATOM 1949 CD2 LEU A 124 1.020 -13.370 2.329 1.00 0.00 C ATOM 0 H LEU A 124 -3.458 -13.361 1.463 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.884 -15.618 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.809 -13.377 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.950 -14.821 3.178 1.00 0.00 H new ATOM 0 HG LEU A 124 0.224 -14.732 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.339 -12.503 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.309 -13.172 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.896 -11.912 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.863 -13.078 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.687 -12.511 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.329 -14.169 3.004 1.00 0.00 H new ATOM 1961 N ALA A 125 -3.851 -15.873 3.355 1.00 0.00 N ATOM 1962 CA ALA A 125 -4.435 -16.818 4.298 1.00 0.00 C ATOM 1963 C ALA A 125 -5.381 -17.784 3.591 1.00 0.00 C ATOM 1964 O ALA A 125 -5.587 -18.909 4.046 1.00 0.00 O ATOM 1965 CB ALA A 125 -5.168 -16.073 5.404 1.00 0.00 C ATOM 0 H ALA A 125 -4.257 -14.938 3.388 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.627 -17.400 4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.600 -16.791 6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.468 -15.428 5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.963 -15.466 4.969 1.00 0.00 H new ATOM 1971 N SER A 126 -5.955 -17.336 2.478 1.00 0.00 N ATOM 1972 CA SER A 126 -6.880 -18.163 1.710 1.00 0.00 C ATOM 1973 C SER A 126 -6.127 -19.076 0.745 1.00 0.00 C ATOM 1974 O SER A 126 -6.559 -20.195 0.471 1.00 0.00 O ATOM 1975 CB SER A 126 -7.859 -17.280 0.933 1.00 0.00 C ATOM 1976 OG SER A 126 -8.792 -16.666 1.804 1.00 0.00 O ATOM 0 H SER A 126 -5.796 -16.407 2.089 1.00 0.00 H new ATOM 0 HA SER A 126 -7.436 -18.786 2.410 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.308 -16.514 0.387 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.388 -17.881 0.193 1.00 0.00 H new ATOM 0 HG SER A 126 -8.422 -15.822 2.137 1.00 0.00 H new