USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 982 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.459) USER MOD Single : A 15 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.36) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= -0.14 (180deg=-0.925) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= -1.2 (180deg=-1.32) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -148:sc= -2.12 (180deg=-5.95!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= -0.0127 (180deg=-0.205) USER MOD Single : A 59 HIS : no HD1:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 61 GLN : amide:sc= 1.18 K(o=1.2,f=-0.071) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0926 USER MOD Single : A 69 HIS : no HD1:sc= 0.0371 K(o=0.037,f=-1) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 40:sc= 0.101 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 77 MET CE :methyl -173:sc= -1.66 (180deg=-2) USER MOD Single : A 78 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.0772 K(o=-0.077,f=-1.2!) USER MOD Single : A 89 ASN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 90 TYR OH : rot 26:sc= 1.09 USER MOD Single : A 92 CYS SG : rot -68:sc= -5.35! USER MOD Single : A 95 THR OG1 : rot -47:sc= 1.12 USER MOD Single : A 96 TYR OH : rot -128:sc= 0.237 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 100:sc= -1.43 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -1.02 X(o=-1,f=-1.4) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.0419 K(o=-0.042,f=-1.5!) USER MOD Single : A 121 SER OG : rot 33:sc= 0.361 USER MOD Single : A 124 SER OG : rot 180:sc= -0.0942 USER MOD Single : A 125 SER OG : rot 34:sc= 0.229 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.158 23.628 15.816 1.00 0.00 N ATOM 2 CA GLY A 1 14.517 22.570 14.890 1.00 0.00 C ATOM 3 C GLY A 1 15.090 21.355 15.592 1.00 0.00 C ATOM 4 O GLY A 1 16.172 21.419 16.175 1.00 0.00 O ATOM 0 H1 GLY A 1 13.771 24.436 15.287 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.442 23.277 16.484 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.003 23.931 16.342 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.635 22.275 14.321 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.246 22.950 14.174 1.00 0.00 H new ATOM 8 N SER A 2 14.361 20.244 15.538 1.00 0.00 N ATOM 9 CA SER A 2 14.800 19.010 16.178 1.00 0.00 C ATOM 10 C SER A 2 15.469 18.082 15.169 1.00 0.00 C ATOM 11 O SER A 2 14.798 17.417 14.381 1.00 0.00 O ATOM 12 CB SER A 2 13.614 18.300 16.833 1.00 0.00 C ATOM 13 OG SER A 2 12.966 19.145 17.768 1.00 0.00 O ATOM 0 H SER A 2 13.464 20.174 15.058 1.00 0.00 H new ATOM 0 HA SER A 2 15.529 19.268 16.946 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.904 17.989 16.067 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.959 17.396 17.334 1.00 0.00 H new ATOM 0 HG SER A 2 12.211 18.668 18.171 1.00 0.00 H new ATOM 19 N SER A 3 16.798 18.044 15.200 1.00 0.00 N ATOM 20 CA SER A 3 17.560 17.202 14.285 1.00 0.00 C ATOM 21 C SER A 3 17.207 15.730 14.481 1.00 0.00 C ATOM 22 O SER A 3 17.013 15.271 15.606 1.00 0.00 O ATOM 23 CB SER A 3 19.061 17.410 14.497 1.00 0.00 C ATOM 24 OG SER A 3 19.492 18.630 13.918 1.00 0.00 O ATOM 0 H SER A 3 17.369 18.586 15.849 1.00 0.00 H new ATOM 0 HA SER A 3 17.301 17.488 13.266 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.284 17.411 15.564 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.613 16.579 14.056 1.00 0.00 H new ATOM 0 HG SER A 3 20.454 18.741 14.068 1.00 0.00 H new ATOM 30 N GLY A 4 17.125 14.996 13.376 1.00 0.00 N ATOM 31 CA GLY A 4 16.795 13.584 13.446 1.00 0.00 C ATOM 32 C GLY A 4 16.591 12.967 12.077 1.00 0.00 C ATOM 33 O GLY A 4 15.668 12.178 11.876 1.00 0.00 O ATOM 0 H GLY A 4 17.281 15.353 12.434 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.593 13.053 13.965 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.889 13.455 14.038 1.00 0.00 H new ATOM 37 N SER A 5 17.453 13.329 11.132 1.00 0.00 N ATOM 38 CA SER A 5 17.359 12.811 9.772 1.00 0.00 C ATOM 39 C SER A 5 18.110 11.489 9.643 1.00 0.00 C ATOM 40 O SER A 5 19.320 11.469 9.417 1.00 0.00 O ATOM 41 CB SER A 5 17.918 13.828 8.776 1.00 0.00 C ATOM 42 OG SER A 5 17.083 14.969 8.688 1.00 0.00 O ATOM 0 H SER A 5 18.224 13.979 11.283 1.00 0.00 H new ATOM 0 HA SER A 5 16.307 12.636 9.548 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.919 14.129 9.083 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.012 13.366 7.793 1.00 0.00 H new ATOM 0 HG SER A 5 17.464 15.604 8.046 1.00 0.00 H new ATOM 48 N SER A 6 17.382 10.386 9.787 1.00 0.00 N ATOM 49 CA SER A 6 17.979 9.058 9.690 1.00 0.00 C ATOM 50 C SER A 6 17.870 8.517 8.268 1.00 0.00 C ATOM 51 O SER A 6 18.876 8.195 7.636 1.00 0.00 O ATOM 52 CB SER A 6 17.298 8.098 10.667 1.00 0.00 C ATOM 53 OG SER A 6 18.184 7.069 11.072 1.00 0.00 O ATOM 0 H SER A 6 16.379 10.385 9.971 1.00 0.00 H new ATOM 0 HA SER A 6 19.035 9.140 9.949 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.952 8.649 11.541 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.417 7.660 10.197 1.00 0.00 H new ATOM 0 HG SER A 6 17.725 6.470 11.697 1.00 0.00 H new ATOM 59 N GLY A 7 16.641 8.419 7.770 1.00 0.00 N ATOM 60 CA GLY A 7 16.422 7.916 6.427 1.00 0.00 C ATOM 61 C GLY A 7 15.215 7.004 6.339 1.00 0.00 C ATOM 62 O GLY A 7 15.028 6.128 7.184 1.00 0.00 O ATOM 0 H GLY A 7 15.793 8.679 8.273 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.289 8.756 5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.308 7.374 6.096 1.00 0.00 H new ATOM 66 N ILE A 8 14.394 7.209 5.315 1.00 0.00 N ATOM 67 CA ILE A 8 13.198 6.398 5.120 1.00 0.00 C ATOM 68 C ILE A 8 13.333 5.506 3.891 1.00 0.00 C ATOM 69 O ILE A 8 13.138 5.954 2.761 1.00 0.00 O ATOM 70 CB ILE A 8 11.942 7.276 4.968 1.00 0.00 C ATOM 71 CG1 ILE A 8 11.765 8.169 6.198 1.00 0.00 C ATOM 72 CG2 ILE A 8 10.711 6.406 4.757 1.00 0.00 C ATOM 73 CD1 ILE A 8 10.976 9.429 5.920 1.00 0.00 C ATOM 0 H ILE A 8 14.535 7.930 4.607 1.00 0.00 H new ATOM 0 HA ILE A 8 13.091 5.775 6.008 1.00 0.00 H new ATOM 0 HB ILE A 8 12.067 7.915 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.263 7.600 6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.747 8.442 6.583 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.831 7.040 4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.838 5.808 3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.581 5.745 5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 8 10.890 10.014 6.836 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.488 10.019 5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.981 9.164 5.564 1.00 0.00 H new ATOM 85 N LEU A 9 13.666 4.240 4.120 1.00 0.00 N ATOM 86 CA LEU A 9 13.825 3.282 3.031 1.00 0.00 C ATOM 87 C LEU A 9 12.732 3.462 1.984 1.00 0.00 C ATOM 88 O LEU A 9 13.013 3.568 0.790 1.00 0.00 O ATOM 89 CB LEU A 9 13.796 1.853 3.575 1.00 0.00 C ATOM 90 CG LEU A 9 15.131 1.297 4.072 1.00 0.00 C ATOM 91 CD1 LEU A 9 15.643 2.110 5.251 1.00 0.00 C ATOM 92 CD2 LEU A 9 14.989 -0.169 4.455 1.00 0.00 C ATOM 0 H LEU A 9 13.831 3.853 5.049 1.00 0.00 H new ATOM 0 HA LEU A 9 14.790 3.464 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 9 13.080 1.813 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.420 1.195 2.792 1.00 0.00 H new ATOM 0 HG LEU A 9 15.857 1.372 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.594 1.699 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 9 15.784 3.146 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.918 2.068 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.949 -0.548 4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.248 -0.268 5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.669 -0.743 3.585 1.00 0.00 H new ATOM 104 N PHE A 10 11.484 3.498 2.438 1.00 0.00 N ATOM 105 CA PHE A 10 10.347 3.666 1.541 1.00 0.00 C ATOM 106 C PHE A 10 10.447 4.984 0.778 1.00 0.00 C ATOM 107 O PHE A 10 9.799 5.969 1.133 1.00 0.00 O ATOM 108 CB PHE A 10 9.036 3.618 2.328 1.00 0.00 C ATOM 109 CG PHE A 10 7.949 2.847 1.636 1.00 0.00 C ATOM 110 CD1 PHE A 10 8.215 1.617 1.055 1.00 0.00 C ATOM 111 CD2 PHE A 10 6.660 3.351 1.565 1.00 0.00 C ATOM 112 CE1 PHE A 10 7.217 0.906 0.417 1.00 0.00 C ATOM 113 CE2 PHE A 10 5.658 2.645 0.929 1.00 0.00 C ATOM 114 CZ PHE A 10 5.936 1.420 0.354 1.00 0.00 C ATOM 0 H PHE A 10 11.234 3.413 3.423 1.00 0.00 H new ATOM 0 HA PHE A 10 10.360 2.847 0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.224 3.170 3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.691 4.637 2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.214 1.210 1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.436 4.308 2.013 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.438 -0.051 -0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.658 3.050 0.881 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.154 0.866 -0.143 1.00 0.00 H new ATOM 124 N ILE A 11 11.263 4.994 -0.270 1.00 0.00 N ATOM 125 CA ILE A 11 11.448 6.190 -1.083 1.00 0.00 C ATOM 126 C ILE A 11 10.115 6.703 -1.617 1.00 0.00 C ATOM 127 O ILE A 11 9.905 7.910 -1.733 1.00 0.00 O ATOM 128 CB ILE A 11 12.395 5.924 -2.268 1.00 0.00 C ATOM 129 CG1 ILE A 11 12.820 7.244 -2.915 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.723 5.020 -3.291 1.00 0.00 C ATOM 131 CD1 ILE A 11 14.178 7.181 -3.578 1.00 0.00 C ATOM 0 H ILE A 11 11.807 4.187 -0.576 1.00 0.00 H new ATOM 0 HA ILE A 11 11.893 6.946 -0.436 1.00 0.00 H new ATOM 0 HB ILE A 11 13.286 5.419 -1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.075 7.532 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 11 12.831 8.025 -2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.405 4.841 -4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 11 11.465 4.070 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.817 5.500 -3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.415 8.151 -4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.934 6.923 -2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.166 6.423 -4.361 1.00 0.00 H new ATOM 143 N GLU A 12 9.217 5.777 -1.939 1.00 0.00 N ATOM 144 CA GLU A 12 7.903 6.137 -2.459 1.00 0.00 C ATOM 145 C GLU A 12 6.801 5.728 -1.486 1.00 0.00 C ATOM 146 O GLU A 12 6.978 4.817 -0.677 1.00 0.00 O ATOM 147 CB GLU A 12 7.670 5.474 -3.819 1.00 0.00 C ATOM 148 CG GLU A 12 6.767 6.276 -4.740 1.00 0.00 C ATOM 149 CD GLU A 12 7.522 7.336 -5.519 1.00 0.00 C ATOM 150 OE1 GLU A 12 8.763 7.235 -5.606 1.00 0.00 O ATOM 151 OE2 GLU A 12 6.872 8.266 -6.041 1.00 0.00 O ATOM 0 H GLU A 12 9.375 4.773 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 12 7.873 7.220 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.632 5.322 -4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.232 4.488 -3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.274 5.600 -5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.984 6.753 -4.150 1.00 0.00 H new ATOM 158 N LYS A 13 5.663 6.409 -1.570 1.00 0.00 N ATOM 159 CA LYS A 13 4.531 6.118 -0.698 1.00 0.00 C ATOM 160 C LYS A 13 3.212 6.293 -1.443 1.00 0.00 C ATOM 161 O LYS A 13 3.036 7.219 -2.235 1.00 0.00 O ATOM 162 CB LYS A 13 4.560 7.029 0.531 1.00 0.00 C ATOM 163 CG LYS A 13 5.691 6.715 1.495 1.00 0.00 C ATOM 164 CD LYS A 13 6.135 7.952 2.256 1.00 0.00 C ATOM 165 CE LYS A 13 7.584 7.842 2.703 1.00 0.00 C ATOM 166 NZ LYS A 13 7.943 8.898 3.689 1.00 0.00 N ATOM 0 H LYS A 13 5.500 7.167 -2.233 1.00 0.00 H new ATOM 0 HA LYS A 13 4.611 5.080 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.650 8.065 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.610 6.944 1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.367 5.950 2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.536 6.303 0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.014 8.832 1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.495 8.094 3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.754 6.860 3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.238 7.919 1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.965 9.084 3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.422 9.771 3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.693 8.578 4.647 1.00 0.00 H new ATOM 180 N PRO A 14 2.260 5.384 -1.185 1.00 0.00 N ATOM 181 CA PRO A 14 0.939 5.418 -1.820 1.00 0.00 C ATOM 182 C PRO A 14 0.092 6.588 -1.332 1.00 0.00 C ATOM 183 O PRO A 14 -0.226 6.683 -0.146 1.00 0.00 O ATOM 184 CB PRO A 14 0.308 4.088 -1.399 1.00 0.00 C ATOM 185 CG PRO A 14 0.996 3.729 -0.127 1.00 0.00 C ATOM 186 CD PRO A 14 2.400 4.252 -0.253 1.00 0.00 C ATOM 0 HA PRO A 14 1.009 5.549 -2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.767 4.189 -1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.456 3.321 -2.159 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.489 4.174 0.730 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.994 2.650 0.027 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.798 4.571 0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.078 3.493 -0.642 1.00 0.00 H new ATOM 194 N GLN A 15 -0.272 7.475 -2.253 1.00 0.00 N ATOM 195 CA GLN A 15 -1.083 8.638 -1.914 1.00 0.00 C ATOM 196 C GLN A 15 -2.569 8.322 -2.042 1.00 0.00 C ATOM 197 O GLN A 15 -3.397 9.223 -2.171 1.00 0.00 O ATOM 198 CB GLN A 15 -0.721 9.818 -2.818 1.00 0.00 C ATOM 199 CG GLN A 15 0.634 10.432 -2.504 1.00 0.00 C ATOM 200 CD GLN A 15 0.895 10.540 -1.014 1.00 0.00 C ATOM 201 OE1 GLN A 15 0.182 11.243 -0.297 1.00 0.00 O ATOM 202 NE2 GLN A 15 1.920 9.842 -0.540 1.00 0.00 N ATOM 0 H GLN A 15 -0.018 7.410 -3.239 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.875 8.905 -0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.728 9.485 -3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.489 10.586 -2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.417 9.829 -2.963 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.692 11.424 -2.952 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.484 9.272 -1.171 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.143 9.875 0.455 1.00 0.00 H new ATOM 211 N GLY A 16 -2.900 7.034 -2.006 1.00 0.00 N ATOM 212 CA GLY A 16 -4.287 6.622 -2.120 1.00 0.00 C ATOM 213 C GLY A 16 -5.040 7.405 -3.177 1.00 0.00 C ATOM 214 O GLY A 16 -4.434 8.012 -4.059 1.00 0.00 O ATOM 0 H GLY A 16 -2.233 6.270 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.329 5.560 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.781 6.750 -1.157 1.00 0.00 H new ATOM 218 N GLY A 17 -6.367 7.390 -3.090 1.00 0.00 N ATOM 219 CA GLY A 17 -7.182 8.106 -4.054 1.00 0.00 C ATOM 220 C GLY A 17 -8.660 7.809 -3.898 1.00 0.00 C ATOM 221 O GLY A 17 -9.129 7.508 -2.799 1.00 0.00 O ATOM 0 H GLY A 17 -6.892 6.895 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.016 9.177 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.865 7.839 -5.062 1.00 0.00 H new ATOM 225 N THR A 18 -9.399 7.894 -5.000 1.00 0.00 N ATOM 226 CA THR A 18 -10.833 7.635 -4.981 1.00 0.00 C ATOM 227 C THR A 18 -11.272 6.879 -6.229 1.00 0.00 C ATOM 228 O THR A 18 -11.124 7.369 -7.349 1.00 0.00 O ATOM 229 CB THR A 18 -11.639 8.943 -4.877 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.050 9.805 -3.896 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.086 8.659 -4.506 1.00 0.00 C ATOM 0 H THR A 18 -9.027 8.140 -5.917 1.00 0.00 H new ATOM 0 HA THR A 18 -11.032 7.024 -4.101 1.00 0.00 H new ATOM 0 HB THR A 18 -11.620 9.434 -5.850 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.567 10.635 -3.837 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.635 9.598 -4.438 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.540 8.027 -5.269 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.121 8.148 -3.544 1.00 0.00 H new ATOM 239 N VAL A 19 -11.814 5.681 -6.031 1.00 0.00 N ATOM 240 CA VAL A 19 -12.277 4.858 -7.141 1.00 0.00 C ATOM 241 C VAL A 19 -13.795 4.716 -7.125 1.00 0.00 C ATOM 242 O VAL A 19 -14.403 4.550 -6.067 1.00 0.00 O ATOM 243 CB VAL A 19 -11.641 3.456 -7.103 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.039 2.723 -5.831 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.039 2.657 -8.335 1.00 0.00 C ATOM 0 H VAL A 19 -11.943 5.259 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.972 5.363 -8.058 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.557 3.568 -7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.580 1.734 -5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.699 3.289 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.124 2.620 -5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.581 1.669 -8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.124 2.553 -8.366 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.698 3.176 -9.231 1.00 0.00 H new ATOM 255 N LYS A 20 -14.402 4.782 -8.305 1.00 0.00 N ATOM 256 CA LYS A 20 -15.850 4.660 -8.429 1.00 0.00 C ATOM 257 C LYS A 20 -16.292 3.213 -8.234 1.00 0.00 C ATOM 258 O LYS A 20 -15.523 2.281 -8.471 1.00 0.00 O ATOM 259 CB LYS A 20 -16.310 5.165 -9.798 1.00 0.00 C ATOM 260 CG LYS A 20 -17.776 5.558 -9.840 1.00 0.00 C ATOM 261 CD LYS A 20 -18.046 6.796 -9.001 1.00 0.00 C ATOM 262 CE LYS A 20 -17.494 8.049 -9.663 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.417 8.578 -10.705 1.00 0.00 N ATOM 0 H LYS A 20 -13.913 4.919 -9.190 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.309 5.270 -7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.704 6.025 -10.081 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.129 4.389 -10.542 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.074 5.745 -10.872 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.386 4.731 -9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.120 6.907 -8.849 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.595 6.675 -8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.324 8.815 -8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.527 7.826 -10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.005 9.432 -11.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.560 7.857 -11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.332 8.815 -10.271 1.00 0.00 H new ATOM 277 N VAL A 21 -17.536 3.032 -7.803 1.00 0.00 N ATOM 278 CA VAL A 21 -18.081 1.698 -7.579 1.00 0.00 C ATOM 279 C VAL A 21 -18.100 0.889 -8.871 1.00 0.00 C ATOM 280 O VAL A 21 -18.745 1.271 -9.846 1.00 0.00 O ATOM 281 CB VAL A 21 -19.510 1.764 -7.007 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.128 0.376 -6.953 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.502 2.407 -5.629 1.00 0.00 C ATOM 0 H VAL A 21 -18.186 3.792 -7.602 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.430 1.207 -6.855 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.119 2.381 -7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.137 0.443 -6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.169 -0.043 -7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.522 -0.268 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.519 2.446 -5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.878 1.818 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.103 3.419 -5.702 1.00 0.00 H new ATOM 293 N GLY A 22 -17.387 -0.234 -8.870 1.00 0.00 N ATOM 294 CA GLY A 22 -17.336 -1.081 -10.047 1.00 0.00 C ATOM 295 C GLY A 22 -16.130 -0.789 -10.919 1.00 0.00 C ATOM 296 O GLY A 22 -15.760 -1.600 -11.767 1.00 0.00 O ATOM 0 H GLY A 22 -16.844 -0.572 -8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.313 -2.126 -9.738 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.246 -0.941 -10.631 1.00 0.00 H new ATOM 300 N GLU A 23 -15.518 0.372 -10.711 1.00 0.00 N ATOM 301 CA GLU A 23 -14.349 0.769 -11.487 1.00 0.00 C ATOM 302 C GLU A 23 -13.116 -0.018 -11.054 1.00 0.00 C ATOM 303 O GLU A 23 -13.203 -0.918 -10.218 1.00 0.00 O ATOM 304 CB GLU A 23 -14.091 2.269 -11.331 1.00 0.00 C ATOM 305 CG GLU A 23 -14.698 3.110 -12.441 1.00 0.00 C ATOM 306 CD GLU A 23 -14.535 2.476 -13.809 1.00 0.00 C ATOM 307 OE1 GLU A 23 -13.505 2.736 -14.465 1.00 0.00 O ATOM 308 OE2 GLU A 23 -15.437 1.718 -14.222 1.00 0.00 O ATOM 0 H GLU A 23 -15.812 1.054 -10.012 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.549 0.549 -12.536 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.494 2.601 -10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.015 2.443 -11.302 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -15.758 3.261 -12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.230 4.095 -12.443 1.00 0.00 H new ATOM 315 N ASP A 24 -11.969 0.327 -11.629 1.00 0.00 N ATOM 316 CA ASP A 24 -10.718 -0.347 -11.303 1.00 0.00 C ATOM 317 C ASP A 24 -9.614 0.667 -11.018 1.00 0.00 C ATOM 318 O ASP A 24 -9.294 1.505 -11.861 1.00 0.00 O ATOM 319 CB ASP A 24 -10.297 -1.269 -12.449 1.00 0.00 C ATOM 320 CG ASP A 24 -9.794 -0.501 -13.655 1.00 0.00 C ATOM 321 OD1 ASP A 24 -8.590 -0.170 -13.689 1.00 0.00 O ATOM 322 OD2 ASP A 24 -10.604 -0.232 -14.566 1.00 0.00 O ATOM 0 H ASP A 24 -11.880 1.069 -12.323 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.879 -0.945 -10.406 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.516 -1.944 -12.100 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.145 -1.888 -12.744 1.00 0.00 H new ATOM 327 N ILE A 25 -9.036 0.584 -9.825 1.00 0.00 N ATOM 328 CA ILE A 25 -7.968 1.494 -9.429 1.00 0.00 C ATOM 329 C ILE A 25 -6.696 0.729 -9.077 1.00 0.00 C ATOM 330 O ILE A 25 -6.748 -0.433 -8.673 1.00 0.00 O ATOM 331 CB ILE A 25 -8.383 2.358 -8.223 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.215 3.238 -7.773 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.861 1.477 -7.079 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.638 4.412 -6.917 1.00 0.00 C ATOM 0 H ILE A 25 -9.289 -0.104 -9.116 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.775 2.144 -10.283 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.206 3.005 -8.525 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.505 2.628 -7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.691 3.611 -8.653 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.151 2.102 -6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.719 0.889 -7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.057 0.807 -6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.759 4.992 -6.635 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.324 5.044 -7.480 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.136 4.047 -6.019 1.00 0.00 H new ATOM 346 N THR A 26 -5.553 1.390 -9.233 1.00 0.00 N ATOM 347 CA THR A 26 -4.267 0.773 -8.932 1.00 0.00 C ATOM 348 C THR A 26 -3.373 1.723 -8.143 1.00 0.00 C ATOM 349 O THR A 26 -3.180 2.876 -8.530 1.00 0.00 O ATOM 350 CB THR A 26 -3.534 0.346 -10.217 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.445 -0.310 -11.106 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.373 -0.583 -9.895 1.00 0.00 C ATOM 0 H THR A 26 -5.492 2.352 -9.566 1.00 0.00 H new ATOM 0 HA THR A 26 -4.474 -0.112 -8.330 1.00 0.00 H new ATOM 0 HB THR A 26 -3.139 1.241 -10.698 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.971 -0.577 -11.921 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.871 -0.871 -10.818 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.667 -0.070 -9.242 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.749 -1.475 -9.393 1.00 0.00 H new ATOM 360 N PHE A 27 -2.829 1.232 -7.034 1.00 0.00 N ATOM 361 CA PHE A 27 -1.955 2.038 -6.190 1.00 0.00 C ATOM 362 C PHE A 27 -0.488 1.735 -6.479 1.00 0.00 C ATOM 363 O PHE A 27 -0.143 0.629 -6.897 1.00 0.00 O ATOM 364 CB PHE A 27 -2.259 1.781 -4.712 1.00 0.00 C ATOM 365 CG PHE A 27 -3.706 1.969 -4.356 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.628 0.963 -4.594 1.00 0.00 C ATOM 367 CD2 PHE A 27 -4.144 3.153 -3.785 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.960 1.132 -4.268 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.475 3.328 -3.456 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.384 2.317 -3.699 1.00 0.00 C ATOM 0 H PHE A 27 -2.978 0.280 -6.699 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.142 3.088 -6.415 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.960 0.764 -4.459 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.653 2.452 -4.103 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.302 0.035 -5.040 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.438 3.948 -3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.668 0.339 -4.458 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.804 4.255 -3.009 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.425 2.453 -3.444 1.00 0.00 H new ATOM 380 N ILE A 28 0.370 2.724 -6.254 1.00 0.00 N ATOM 381 CA ILE A 28 1.800 2.563 -6.490 1.00 0.00 C ATOM 382 C ILE A 28 2.586 2.662 -5.188 1.00 0.00 C ATOM 383 O ILE A 28 2.335 3.540 -4.364 1.00 0.00 O ATOM 384 CB ILE A 28 2.330 3.618 -7.478 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.634 3.475 -8.834 1.00 0.00 C ATOM 386 CG2 ILE A 28 3.837 3.488 -7.634 1.00 0.00 C ATOM 387 CD1 ILE A 28 1.708 2.076 -9.405 1.00 0.00 C ATOM 0 H ILE A 28 0.100 3.645 -5.909 1.00 0.00 H new ATOM 0 HA ILE A 28 1.939 1.572 -6.921 1.00 0.00 H new ATOM 0 HB ILE A 28 2.110 4.609 -7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.588 3.761 -8.728 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.085 4.172 -9.540 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.196 4.241 -8.336 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.317 3.635 -6.666 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.079 2.495 -8.012 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.195 2.048 -10.366 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.752 1.794 -9.543 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.231 1.377 -8.718 1.00 0.00 H new ATOM 399 N ALA A 29 3.542 1.755 -5.009 1.00 0.00 N ATOM 400 CA ALA A 29 4.368 1.742 -3.809 1.00 0.00 C ATOM 401 C ALA A 29 5.676 0.996 -4.051 1.00 0.00 C ATOM 402 O ALA A 29 5.680 -0.216 -4.268 1.00 0.00 O ATOM 403 CB ALA A 29 3.607 1.116 -2.650 1.00 0.00 C ATOM 0 H ALA A 29 3.763 1.020 -5.681 1.00 0.00 H new ATOM 0 HA ALA A 29 4.610 2.774 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.237 1.113 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.704 1.694 -2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.334 0.092 -2.905 1.00 0.00 H new ATOM 409 N LYS A 30 6.785 1.726 -4.013 1.00 0.00 N ATOM 410 CA LYS A 30 8.100 1.134 -4.227 1.00 0.00 C ATOM 411 C LYS A 30 8.935 1.187 -2.952 1.00 0.00 C ATOM 412 O LYS A 30 8.561 1.844 -1.980 1.00 0.00 O ATOM 413 CB LYS A 30 8.831 1.860 -5.358 1.00 0.00 C ATOM 414 CG LYS A 30 8.294 1.530 -6.740 1.00 0.00 C ATOM 415 CD LYS A 30 8.441 2.706 -7.691 1.00 0.00 C ATOM 416 CE LYS A 30 7.270 3.670 -7.570 1.00 0.00 C ATOM 417 NZ LYS A 30 7.281 4.694 -8.652 1.00 0.00 N ATOM 0 H LYS A 30 6.799 2.730 -3.836 1.00 0.00 H new ATOM 0 HA LYS A 30 7.959 0.089 -4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.757 2.935 -5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.890 1.604 -5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.826 0.668 -7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.243 1.250 -6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.371 3.233 -7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.509 2.341 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.335 3.112 -7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.306 4.166 -6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.468 5.332 -8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.162 5.244 -8.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.221 4.222 -9.577 1.00 0.00 H new ATOM 431 N VAL A 31 10.068 0.492 -2.962 1.00 0.00 N ATOM 432 CA VAL A 31 10.957 0.462 -1.807 1.00 0.00 C ATOM 433 C VAL A 31 12.419 0.451 -2.239 1.00 0.00 C ATOM 434 O VAL A 31 12.786 -0.210 -3.211 1.00 0.00 O ATOM 435 CB VAL A 31 10.686 -0.769 -0.922 1.00 0.00 C ATOM 436 CG1 VAL A 31 10.925 -2.052 -1.703 1.00 0.00 C ATOM 437 CG2 VAL A 31 11.552 -0.727 0.328 1.00 0.00 C ATOM 0 H VAL A 31 10.392 -0.058 -3.758 1.00 0.00 H new ATOM 0 HA VAL A 31 10.758 1.366 -1.231 1.00 0.00 H new ATOM 0 HB VAL A 31 9.641 -0.750 -0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.728 -2.911 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.258 -2.083 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.960 -2.083 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.348 -1.604 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.604 -0.721 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.326 0.175 0.897 1.00 0.00 H new ATOM 447 N LYS A 32 13.251 1.188 -1.511 1.00 0.00 N ATOM 448 CA LYS A 32 14.675 1.263 -1.816 1.00 0.00 C ATOM 449 C LYS A 32 15.395 -0.006 -1.371 1.00 0.00 C ATOM 450 O LYS A 32 15.410 -0.339 -0.187 1.00 0.00 O ATOM 451 CB LYS A 32 15.300 2.483 -1.134 1.00 0.00 C ATOM 452 CG LYS A 32 16.653 2.871 -1.705 1.00 0.00 C ATOM 453 CD LYS A 32 16.508 3.790 -2.907 1.00 0.00 C ATOM 454 CE LYS A 32 17.646 3.595 -3.897 1.00 0.00 C ATOM 455 NZ LYS A 32 17.812 4.775 -4.790 1.00 0.00 N ATOM 0 H LYS A 32 12.963 1.742 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 32 14.785 1.362 -2.896 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.619 3.329 -1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.410 2.277 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.245 3.367 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.197 1.973 -1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.556 3.596 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.488 4.827 -2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.574 3.417 -3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.455 2.707 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.597 4.603 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.935 4.930 -5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.020 5.618 -4.217 1.00 0.00 H new ATOM 469 N ALA A 33 15.991 -0.709 -2.328 1.00 0.00 N ATOM 470 CA ALA A 33 16.716 -1.939 -2.034 1.00 0.00 C ATOM 471 C ALA A 33 18.192 -1.805 -2.390 1.00 0.00 C ATOM 472 O ALA A 33 18.572 -0.947 -3.187 1.00 0.00 O ATOM 473 CB ALA A 33 16.094 -3.109 -2.781 1.00 0.00 C ATOM 0 H ALA A 33 15.986 -0.448 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 33 16.644 -2.127 -0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.645 -4.021 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.055 -3.226 -2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.135 -2.919 -3.854 1.00 0.00 H new ATOM 479 N GLU A 34 19.020 -2.658 -1.795 1.00 0.00 N ATOM 480 CA GLU A 34 20.455 -2.633 -2.050 1.00 0.00 C ATOM 481 C GLU A 34 20.943 -3.990 -2.548 1.00 0.00 C ATOM 482 O GLU A 34 21.673 -4.074 -3.536 1.00 0.00 O ATOM 483 CB GLU A 34 21.214 -2.240 -0.780 1.00 0.00 C ATOM 484 CG GLU A 34 20.749 -0.927 -0.175 1.00 0.00 C ATOM 485 CD GLU A 34 21.467 -0.594 1.119 1.00 0.00 C ATOM 486 OE1 GLU A 34 22.591 -1.099 1.319 1.00 0.00 O ATOM 487 OE2 GLU A 34 20.905 0.170 1.930 1.00 0.00 O ATOM 0 H GLU A 34 18.721 -3.375 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 34 20.648 -1.891 -2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.101 -3.032 -0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.277 -2.168 -1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.911 -0.123 -0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.676 -0.977 0.012 1.00 0.00 H new ATOM 494 N ASP A 35 20.536 -5.049 -1.857 1.00 0.00 N ATOM 495 CA ASP A 35 20.931 -6.402 -2.229 1.00 0.00 C ATOM 496 C ASP A 35 19.937 -7.007 -3.216 1.00 0.00 C ATOM 497 O ASP A 35 18.797 -6.553 -3.322 1.00 0.00 O ATOM 498 CB ASP A 35 21.034 -7.286 -0.985 1.00 0.00 C ATOM 499 CG ASP A 35 21.601 -6.542 0.208 1.00 0.00 C ATOM 500 OD1 ASP A 35 20.891 -5.675 0.758 1.00 0.00 O ATOM 501 OD2 ASP A 35 22.755 -6.827 0.591 1.00 0.00 O ATOM 0 H ASP A 35 19.933 -4.996 -1.036 1.00 0.00 H new ATOM 0 HA ASP A 35 21.907 -6.349 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 35 20.046 -7.671 -0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 35 21.665 -8.147 -1.206 1.00 0.00 H new ATOM 506 N LEU A 36 20.377 -8.031 -3.938 1.00 0.00 N ATOM 507 CA LEU A 36 19.527 -8.697 -4.919 1.00 0.00 C ATOM 508 C LEU A 36 19.050 -10.049 -4.397 1.00 0.00 C ATOM 509 O LEU A 36 17.874 -10.395 -4.521 1.00 0.00 O ATOM 510 CB LEU A 36 20.283 -8.884 -6.235 1.00 0.00 C ATOM 511 CG LEU A 36 21.049 -7.665 -6.748 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.872 -8.028 -7.974 1.00 0.00 C ATOM 513 CD2 LEU A 36 20.090 -6.527 -7.066 1.00 0.00 C ATOM 0 H LEU A 36 21.318 -8.419 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 36 18.655 -8.067 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 36 20.988 -9.706 -6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.569 -9.188 -7.001 1.00 0.00 H new ATOM 0 HG LEU A 36 21.730 -7.332 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 36 22.410 -7.147 -8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.586 -8.810 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 36 21.211 -8.387 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.653 -5.668 -7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 36 19.384 -6.849 -7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.545 -6.248 -6.164 1.00 0.00 H new ATOM 525 N LEU A 37 19.969 -10.808 -3.810 1.00 0.00 N ATOM 526 CA LEU A 37 19.642 -12.122 -3.266 1.00 0.00 C ATOM 527 C LEU A 37 18.414 -12.048 -2.364 1.00 0.00 C ATOM 528 O LEU A 37 17.555 -12.929 -2.395 1.00 0.00 O ATOM 529 CB LEU A 37 20.831 -12.682 -2.484 1.00 0.00 C ATOM 530 CG LEU A 37 22.013 -13.175 -3.320 1.00 0.00 C ATOM 531 CD1 LEU A 37 21.602 -14.363 -4.175 1.00 0.00 C ATOM 532 CD2 LEU A 37 22.555 -12.051 -4.191 1.00 0.00 C ATOM 0 H LEU A 37 20.946 -10.537 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 37 19.418 -12.788 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 37 21.190 -11.909 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.478 -13.509 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 37 22.804 -13.497 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 37 22.455 -14.701 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.261 -15.174 -3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 37 20.794 -14.067 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 37 23.396 -12.419 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.770 -11.699 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.888 -11.228 -3.558 1.00 0.00 H new ATOM 544 N ARG A 38 18.337 -10.990 -1.564 1.00 0.00 N ATOM 545 CA ARG A 38 17.214 -10.800 -0.654 1.00 0.00 C ATOM 546 C ARG A 38 16.074 -10.057 -1.345 1.00 0.00 C ATOM 547 O ARG A 38 16.299 -9.268 -2.262 1.00 0.00 O ATOM 548 CB ARG A 38 17.662 -10.027 0.588 1.00 0.00 C ATOM 549 CG ARG A 38 18.942 -10.561 1.210 1.00 0.00 C ATOM 550 CD ARG A 38 18.700 -11.871 1.943 1.00 0.00 C ATOM 551 NE ARG A 38 19.890 -12.327 2.657 1.00 0.00 N ATOM 552 CZ ARG A 38 20.919 -12.924 2.065 1.00 0.00 C ATOM 553 NH1 ARG A 38 20.902 -13.137 0.756 1.00 0.00 N ATOM 554 NH2 ARG A 38 21.966 -13.310 2.782 1.00 0.00 N ATOM 0 H ARG A 38 19.039 -10.251 -1.527 1.00 0.00 H new ATOM 0 HA ARG A 38 16.853 -11.783 -0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.807 -8.980 0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.866 -10.059 1.332 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.691 -10.711 0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.346 -9.824 1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.880 -11.745 2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.391 -12.634 1.229 1.00 0.00 H new ATOM 0 HE ARG A 38 19.933 -12.179 3.665 1.00 0.00 H new ATOM 0 HH11 ARG A 38 20.098 -12.842 0.202 1.00 0.00 H new ATOM 0 HH12 ARG A 38 21.693 -13.595 0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 38 21.982 -13.149 3.789 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.755 -13.768 2.326 1.00 0.00 H new ATOM 568 N LYS A 39 14.850 -10.316 -0.898 1.00 0.00 N ATOM 569 CA LYS A 39 13.674 -9.673 -1.472 1.00 0.00 C ATOM 570 C LYS A 39 12.629 -9.392 -0.396 1.00 0.00 C ATOM 571 O LYS A 39 12.156 -10.295 0.294 1.00 0.00 O ATOM 572 CB LYS A 39 13.069 -10.553 -2.568 1.00 0.00 C ATOM 573 CG LYS A 39 11.725 -10.058 -3.073 1.00 0.00 C ATOM 574 CD LYS A 39 11.000 -11.129 -3.871 1.00 0.00 C ATOM 575 CE LYS A 39 11.557 -11.246 -5.281 1.00 0.00 C ATOM 576 NZ LYS A 39 10.682 -12.075 -6.156 1.00 0.00 N ATOM 0 H LYS A 39 14.646 -10.967 -0.140 1.00 0.00 H new ATOM 0 HA LYS A 39 13.986 -8.724 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.765 -10.606 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.953 -11.567 -2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.108 -9.752 -2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.872 -9.176 -3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.092 -12.088 -3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.937 -10.893 -3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.664 -10.251 -5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.554 -11.686 -5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.096 -12.131 -7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.600 -13.032 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.738 -11.642 -6.214 1.00 0.00 H new ATOM 590 N PRO A 40 12.258 -8.111 -0.251 1.00 0.00 N ATOM 591 CA PRO A 40 11.263 -7.683 0.737 1.00 0.00 C ATOM 592 C PRO A 40 9.856 -8.152 0.384 1.00 0.00 C ATOM 593 O PRO A 40 9.628 -8.717 -0.686 1.00 0.00 O ATOM 594 CB PRO A 40 11.346 -6.155 0.684 1.00 0.00 C ATOM 595 CG PRO A 40 11.858 -5.851 -0.681 1.00 0.00 C ATOM 596 CD PRO A 40 12.780 -6.983 -1.040 1.00 0.00 C ATOM 0 HA PRO A 40 11.462 -8.101 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.370 -5.699 0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.015 -5.768 1.453 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.039 -5.773 -1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.386 -4.898 -0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.758 -7.196 -2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.814 -6.756 -0.781 1.00 0.00 H new ATOM 604 N THR A 41 8.913 -7.916 1.291 1.00 0.00 N ATOM 605 CA THR A 41 7.528 -8.315 1.076 1.00 0.00 C ATOM 606 C THR A 41 6.566 -7.213 1.502 1.00 0.00 C ATOM 607 O THR A 41 6.771 -6.557 2.524 1.00 0.00 O ATOM 608 CB THR A 41 7.189 -9.604 1.849 1.00 0.00 C ATOM 609 OG1 THR A 41 8.106 -10.645 1.492 1.00 0.00 O ATOM 610 CG2 THR A 41 5.765 -10.052 1.554 1.00 0.00 C ATOM 0 H THR A 41 9.084 -7.450 2.182 1.00 0.00 H new ATOM 0 HA THR A 41 7.414 -8.500 0.008 1.00 0.00 H new ATOM 0 HB THR A 41 7.274 -9.396 2.915 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.885 -11.460 1.989 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.548 -10.964 2.110 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.068 -9.269 1.853 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.658 -10.244 0.486 1.00 0.00 H new ATOM 618 N ILE A 42 5.515 -7.013 0.713 1.00 0.00 N ATOM 619 CA ILE A 42 4.520 -5.991 1.011 1.00 0.00 C ATOM 620 C ILE A 42 3.160 -6.616 1.303 1.00 0.00 C ATOM 621 O ILE A 42 2.654 -7.422 0.522 1.00 0.00 O ATOM 622 CB ILE A 42 4.374 -4.992 -0.153 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.416 -3.863 0.233 1.00 0.00 C ATOM 624 CG2 ILE A 42 3.886 -5.705 -1.405 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.578 -2.618 -0.611 1.00 0.00 C ATOM 0 H ILE A 42 5.331 -7.546 -0.137 1.00 0.00 H new ATOM 0 HA ILE A 42 4.870 -5.458 1.895 1.00 0.00 H new ATOM 0 HB ILE A 42 5.351 -4.557 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.390 -4.221 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.574 -3.605 1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.788 -4.986 -2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.603 -6.476 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.917 -6.164 -1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.867 -1.860 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.593 -2.235 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.391 -2.861 -1.657 1.00 0.00 H new ATOM 637 N LYS A 43 2.572 -6.237 2.432 1.00 0.00 N ATOM 638 CA LYS A 43 1.268 -6.757 2.828 1.00 0.00 C ATOM 639 C LYS A 43 0.260 -5.625 3.001 1.00 0.00 C ATOM 640 O LYS A 43 0.422 -4.765 3.867 1.00 0.00 O ATOM 641 CB LYS A 43 1.387 -7.552 4.131 1.00 0.00 C ATOM 642 CG LYS A 43 0.119 -8.300 4.505 1.00 0.00 C ATOM 643 CD LYS A 43 0.105 -9.701 3.918 1.00 0.00 C ATOM 644 CE LYS A 43 0.737 -10.709 4.865 1.00 0.00 C ATOM 645 NZ LYS A 43 -0.014 -10.811 6.147 1.00 0.00 N ATOM 0 H LYS A 43 2.978 -5.571 3.090 1.00 0.00 H new ATOM 0 HA LYS A 43 0.913 -7.418 2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.206 -8.266 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.649 -6.870 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.037 -8.358 5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.750 -7.746 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.922 -9.996 3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.642 -9.705 2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.771 -11.687 4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.767 -10.419 5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.112 -11.762 6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.346 -10.102 6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.025 -10.640 5.972 1.00 0.00 H new ATOM 659 N TRP A 44 -0.778 -5.633 2.174 1.00 0.00 N ATOM 660 CA TRP A 44 -1.813 -4.607 2.237 1.00 0.00 C ATOM 661 C TRP A 44 -2.883 -4.975 3.258 1.00 0.00 C ATOM 662 O TRP A 44 -3.381 -6.101 3.271 1.00 0.00 O ATOM 663 CB TRP A 44 -2.450 -4.411 0.860 1.00 0.00 C ATOM 664 CG TRP A 44 -1.461 -4.048 -0.206 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.599 -4.893 -0.846 1.00 0.00 C ATOM 666 CD2 TRP A 44 -1.231 -2.746 -0.755 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.153 -4.194 -1.759 1.00 0.00 N ATOM 668 CE2 TRP A 44 -0.216 -2.875 -1.724 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.785 -1.484 -0.525 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.254 -1.790 -2.458 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -1.317 -0.408 -1.254 1.00 0.00 C ATOM 672 CH2 TRP A 44 -0.306 -0.566 -2.211 1.00 0.00 C ATOM 0 H TRP A 44 -0.926 -6.338 1.452 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.345 -3.673 2.550 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.964 -5.328 0.572 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.206 -3.629 0.926 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.520 -5.954 -0.661 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.870 -4.593 -2.365 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.565 -1.352 0.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.033 -1.910 -3.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.738 0.572 -1.083 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.038 0.295 -2.765 1.00 0.00 H new ATOM 683 N PHE A 45 -3.233 -4.019 4.112 1.00 0.00 N ATOM 684 CA PHE A 45 -4.245 -4.244 5.138 1.00 0.00 C ATOM 685 C PHE A 45 -5.333 -3.177 5.073 1.00 0.00 C ATOM 686 O PHE A 45 -5.077 -2.036 4.687 1.00 0.00 O ATOM 687 CB PHE A 45 -3.602 -4.248 6.527 1.00 0.00 C ATOM 688 CG PHE A 45 -2.884 -5.527 6.852 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.590 -6.648 7.260 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.505 -5.609 6.749 1.00 0.00 C ATOM 691 CE1 PHE A 45 -2.933 -7.826 7.560 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.843 -6.785 7.047 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.558 -7.895 7.454 1.00 0.00 C ATOM 0 H PHE A 45 -2.831 -3.081 4.114 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.702 -5.216 4.954 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.898 -3.418 6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.374 -4.074 7.276 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.666 -6.600 7.344 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.941 -4.744 6.432 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.495 -8.692 7.877 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.232 -6.836 6.962 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.043 -8.815 7.689 1.00 0.00 H new ATOM 703 N LYS A 46 -6.549 -3.556 5.451 1.00 0.00 N ATOM 704 CA LYS A 46 -7.678 -2.633 5.437 1.00 0.00 C ATOM 705 C LYS A 46 -8.353 -2.577 6.804 1.00 0.00 C ATOM 706 O LYS A 46 -8.471 -3.592 7.490 1.00 0.00 O ATOM 707 CB LYS A 46 -8.693 -3.053 4.372 1.00 0.00 C ATOM 708 CG LYS A 46 -9.915 -2.154 4.307 1.00 0.00 C ATOM 709 CD LYS A 46 -9.562 -0.771 3.784 1.00 0.00 C ATOM 710 CE LYS A 46 -10.694 0.218 4.018 1.00 0.00 C ATOM 711 NZ LYS A 46 -11.166 0.198 5.430 1.00 0.00 N ATOM 0 H LYS A 46 -6.778 -4.497 5.771 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.299 -1.639 5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.204 -3.058 3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.015 -4.075 4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.667 -2.607 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.357 -2.067 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.658 -0.414 4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.342 -0.829 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.357 1.223 3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.525 -0.018 3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.746 1.042 5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.736 -0.656 5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.346 0.195 6.070 1.00 0.00 H new ATOM 725 N GLY A 47 -8.795 -1.385 7.192 1.00 0.00 N ATOM 726 CA GLY A 47 -9.454 -1.221 8.475 1.00 0.00 C ATOM 727 C GLY A 47 -8.534 -1.519 9.642 1.00 0.00 C ATOM 728 O GLY A 47 -7.411 -1.017 9.701 1.00 0.00 O ATOM 0 H GLY A 47 -8.709 -0.531 6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.826 -0.200 8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.320 -1.881 8.522 1.00 0.00 H new ATOM 732 N LYS A 48 -9.010 -2.338 10.574 1.00 0.00 N ATOM 733 CA LYS A 48 -8.223 -2.703 11.746 1.00 0.00 C ATOM 734 C LYS A 48 -7.677 -4.121 11.614 1.00 0.00 C ATOM 735 O LYS A 48 -6.476 -4.349 11.759 1.00 0.00 O ATOM 736 CB LYS A 48 -9.074 -2.588 13.013 1.00 0.00 C ATOM 737 CG LYS A 48 -8.338 -2.991 14.279 1.00 0.00 C ATOM 738 CD LYS A 48 -8.836 -2.213 15.485 1.00 0.00 C ATOM 739 CE LYS A 48 -10.342 -2.344 15.650 1.00 0.00 C ATOM 740 NZ LYS A 48 -10.940 -1.128 16.267 1.00 0.00 N ATOM 0 H LYS A 48 -9.937 -2.762 10.540 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.382 -2.014 11.817 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.420 -1.560 13.116 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.960 -3.213 12.903 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.470 -4.059 14.454 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.269 -2.819 14.150 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.338 -2.575 16.384 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.571 -1.161 15.376 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.800 -2.520 14.677 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.565 -3.213 16.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.968 -1.257 16.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.522 -0.974 17.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.749 -0.303 15.663 1.00 0.00 H new ATOM 754 N TRP A 49 -8.565 -5.069 11.338 1.00 0.00 N ATOM 755 CA TRP A 49 -8.171 -6.465 11.185 1.00 0.00 C ATOM 756 C TRP A 49 -8.280 -6.905 9.730 1.00 0.00 C ATOM 757 O TRP A 49 -7.452 -7.672 9.240 1.00 0.00 O ATOM 758 CB TRP A 49 -9.039 -7.361 12.070 1.00 0.00 C ATOM 759 CG TRP A 49 -9.196 -6.843 13.467 1.00 0.00 C ATOM 760 CD1 TRP A 49 -10.056 -5.869 13.888 1.00 0.00 C ATOM 761 CD2 TRP A 49 -8.474 -7.272 14.626 1.00 0.00 C ATOM 762 NE1 TRP A 49 -9.910 -5.666 15.240 1.00 0.00 N ATOM 763 CE2 TRP A 49 -8.947 -6.515 15.716 1.00 0.00 C ATOM 764 CE3 TRP A 49 -7.474 -8.223 14.850 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -8.453 -6.680 17.007 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -6.985 -8.386 16.132 1.00 0.00 C ATOM 767 CH2 TRP A 49 -7.475 -7.618 17.198 1.00 0.00 C ATOM 0 H TRP A 49 -9.563 -4.897 11.216 1.00 0.00 H new ATOM 0 HA TRP A 49 -7.130 -6.560 11.495 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.024 -7.463 11.615 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -8.600 -8.358 12.107 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -10.748 -5.337 13.253 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -10.434 -4.992 15.798 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.091 -8.820 14.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -8.828 -6.089 17.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.212 -9.118 16.316 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -7.073 -7.770 18.189 1.00 0.00 H new ATOM 778 N MET A 50 -9.308 -6.416 9.044 1.00 0.00 N ATOM 779 CA MET A 50 -9.524 -6.759 7.643 1.00 0.00 C ATOM 780 C MET A 50 -8.210 -6.740 6.869 1.00 0.00 C ATOM 781 O MET A 50 -7.569 -5.696 6.743 1.00 0.00 O ATOM 782 CB MET A 50 -10.519 -5.788 7.005 1.00 0.00 C ATOM 783 CG MET A 50 -11.321 -6.399 5.868 1.00 0.00 C ATOM 784 SD MET A 50 -12.025 -5.155 4.768 1.00 0.00 S ATOM 785 CE MET A 50 -11.049 -5.421 3.289 1.00 0.00 C ATOM 0 H MET A 50 -10.004 -5.781 9.435 1.00 0.00 H new ATOM 0 HA MET A 50 -9.935 -7.768 7.602 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.206 -5.429 7.771 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.977 -4.919 6.631 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.679 -7.066 5.293 1.00 0.00 H new ATOM 0 HG3 MET A 50 -12.124 -7.009 6.282 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.922 -4.475 2.762 1.00 0.00 H new ATOM 0 HE2 MET A 50 -10.071 -5.817 3.564 1.00 0.00 H new ATOM 0 HE3 MET A 50 -11.559 -6.133 2.640 1.00 0.00 H new ATOM 795 N ASP A 51 -7.814 -7.898 6.355 1.00 0.00 N ATOM 796 CA ASP A 51 -6.576 -8.014 5.592 1.00 0.00 C ATOM 797 C ASP A 51 -6.868 -8.231 4.111 1.00 0.00 C ATOM 798 O ASP A 51 -7.456 -9.242 3.725 1.00 0.00 O ATOM 799 CB ASP A 51 -5.726 -9.165 6.132 1.00 0.00 C ATOM 800 CG ASP A 51 -4.525 -9.458 5.254 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.743 -8.521 4.986 1.00 0.00 O ATOM 802 OD2 ASP A 51 -4.365 -10.624 4.837 1.00 0.00 O ATOM 0 H ASP A 51 -8.332 -8.771 6.452 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.022 -7.082 5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.386 -8.921 7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.341 -10.061 6.212 1.00 0.00 H new ATOM 807 N LEU A 52 -6.455 -7.275 3.286 1.00 0.00 N ATOM 808 CA LEU A 52 -6.673 -7.361 1.846 1.00 0.00 C ATOM 809 C LEU A 52 -5.956 -8.572 1.258 1.00 0.00 C ATOM 810 O LEU A 52 -6.512 -9.292 0.429 1.00 0.00 O ATOM 811 CB LEU A 52 -6.187 -6.083 1.160 1.00 0.00 C ATOM 812 CG LEU A 52 -6.720 -4.769 1.733 1.00 0.00 C ATOM 813 CD1 LEU A 52 -6.121 -3.582 0.994 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.240 -4.733 1.660 1.00 0.00 C ATOM 0 H LEU A 52 -5.968 -6.432 3.589 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.743 -7.476 1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.098 -6.061 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.460 -6.134 0.106 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.425 -4.705 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.512 -2.656 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.036 -3.598 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.385 -3.640 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.602 -3.791 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.557 -4.820 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.652 -5.562 2.235 1.00 0.00 H new ATOM 826 N ALA A 53 -4.720 -8.790 1.693 1.00 0.00 N ATOM 827 CA ALA A 53 -3.928 -9.916 1.213 1.00 0.00 C ATOM 828 C ALA A 53 -4.775 -11.180 1.114 1.00 0.00 C ATOM 829 O ALA A 53 -4.577 -12.003 0.221 1.00 0.00 O ATOM 830 CB ALA A 53 -2.734 -10.149 2.127 1.00 0.00 C ATOM 0 H ALA A 53 -4.245 -8.202 2.377 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.565 -9.674 0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.152 -10.993 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.109 -9.256 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.085 -10.365 3.136 1.00 0.00 H new ATOM 836 N SER A 54 -5.720 -11.327 2.037 1.00 0.00 N ATOM 837 CA SER A 54 -6.595 -12.494 2.055 1.00 0.00 C ATOM 838 C SER A 54 -7.798 -12.286 1.140 1.00 0.00 C ATOM 839 O SER A 54 -8.369 -13.243 0.617 1.00 0.00 O ATOM 840 CB SER A 54 -7.069 -12.779 3.482 1.00 0.00 C ATOM 841 OG SER A 54 -8.114 -13.737 3.490 1.00 0.00 O ATOM 0 H SER A 54 -5.899 -10.653 2.782 1.00 0.00 H new ATOM 0 HA SER A 54 -6.027 -13.349 1.690 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.234 -13.142 4.080 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.415 -11.855 3.945 1.00 0.00 H new ATOM 0 HG SER A 54 -8.398 -13.903 4.413 1.00 0.00 H new ATOM 847 N LYS A 55 -8.178 -11.027 0.950 1.00 0.00 N ATOM 848 CA LYS A 55 -9.312 -10.689 0.097 1.00 0.00 C ATOM 849 C LYS A 55 -8.943 -10.824 -1.377 1.00 0.00 C ATOM 850 O LYS A 55 -9.793 -11.123 -2.214 1.00 0.00 O ATOM 851 CB LYS A 55 -9.788 -9.264 0.387 1.00 0.00 C ATOM 852 CG LYS A 55 -10.100 -9.013 1.852 1.00 0.00 C ATOM 853 CD LYS A 55 -11.417 -9.652 2.259 1.00 0.00 C ATOM 854 CE LYS A 55 -11.872 -9.169 3.628 1.00 0.00 C ATOM 855 NZ LYS A 55 -11.272 -9.976 4.727 1.00 0.00 N ATOM 0 H LYS A 55 -7.717 -10.223 1.376 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.120 -11.387 0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.021 -8.561 0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.680 -9.060 -0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.295 -9.411 2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.143 -7.940 2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.181 -9.418 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.308 -10.736 2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.597 -8.122 3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.959 -9.222 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.606 -9.616 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.555 -10.971 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.235 -9.905 4.684 1.00 0.00 H new ATOM 869 N ALA A 56 -7.669 -10.602 -1.686 1.00 0.00 N ATOM 870 CA ALA A 56 -7.188 -10.702 -3.058 1.00 0.00 C ATOM 871 C ALA A 56 -7.510 -12.067 -3.655 1.00 0.00 C ATOM 872 O ALA A 56 -6.939 -13.081 -3.255 1.00 0.00 O ATOM 873 CB ALA A 56 -5.690 -10.441 -3.112 1.00 0.00 C ATOM 0 H ALA A 56 -6.952 -10.352 -1.005 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.700 -9.945 -3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.344 -10.519 -4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.481 -9.440 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.170 -11.177 -2.498 1.00 0.00 H new ATOM 879 N GLY A 57 -8.431 -12.087 -4.614 1.00 0.00 N ATOM 880 CA GLY A 57 -8.814 -13.333 -5.250 1.00 0.00 C ATOM 881 C GLY A 57 -9.340 -13.129 -6.657 1.00 0.00 C ATOM 882 O GLY A 57 -8.761 -13.626 -7.623 1.00 0.00 O ATOM 0 H GLY A 57 -8.919 -11.261 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.953 -14.001 -5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.578 -13.825 -4.648 1.00 0.00 H new ATOM 886 N LYS A 58 -10.443 -12.397 -6.774 1.00 0.00 N ATOM 887 CA LYS A 58 -11.048 -12.128 -8.073 1.00 0.00 C ATOM 888 C LYS A 58 -11.348 -10.641 -8.236 1.00 0.00 C ATOM 889 O LYS A 58 -10.981 -10.030 -9.240 1.00 0.00 O ATOM 890 CB LYS A 58 -12.335 -12.940 -8.236 1.00 0.00 C ATOM 891 CG LYS A 58 -12.361 -14.213 -7.409 1.00 0.00 C ATOM 892 CD LYS A 58 -13.226 -15.281 -8.055 1.00 0.00 C ATOM 893 CE LYS A 58 -14.700 -15.065 -7.750 1.00 0.00 C ATOM 894 NZ LYS A 58 -15.021 -15.360 -6.326 1.00 0.00 N ATOM 0 H LYS A 58 -10.936 -11.979 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.338 -12.424 -8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.185 -12.318 -7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.461 -13.197 -9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.345 -14.590 -7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.739 -13.992 -6.411 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.072 -15.272 -9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.920 -16.264 -7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.970 -14.034 -7.977 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.302 -15.702 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.046 -15.500 -6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.522 -16.223 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.719 -14.563 -5.730 1.00 0.00 H new ATOM 908 N HIS A 59 -12.016 -10.065 -7.242 1.00 0.00 N ATOM 909 CA HIS A 59 -12.363 -8.648 -7.274 1.00 0.00 C ATOM 910 C HIS A 59 -11.135 -7.782 -7.016 1.00 0.00 C ATOM 911 O HIS A 59 -11.089 -6.617 -7.413 1.00 0.00 O ATOM 912 CB HIS A 59 -13.445 -8.342 -6.238 1.00 0.00 C ATOM 913 CG HIS A 59 -14.780 -8.931 -6.573 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.660 -8.345 -7.459 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.384 -10.062 -6.138 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.748 -9.089 -7.552 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.605 -10.137 -6.761 1.00 0.00 N ATOM 0 H HIS A 59 -12.328 -10.557 -6.405 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.747 -8.416 -8.267 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.124 -8.720 -5.267 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.548 -7.261 -6.141 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.980 -10.773 -5.432 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.608 -8.876 -8.170 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.291 -10.881 -6.634 1.00 0.00 H new ATOM 926 N LEU A 60 -10.141 -8.357 -6.347 1.00 0.00 N ATOM 927 CA LEU A 60 -8.912 -7.637 -6.035 1.00 0.00 C ATOM 928 C LEU A 60 -7.688 -8.423 -6.495 1.00 0.00 C ATOM 929 O LEU A 60 -7.684 -9.653 -6.468 1.00 0.00 O ATOM 930 CB LEU A 60 -8.823 -7.367 -4.532 1.00 0.00 C ATOM 931 CG LEU A 60 -7.454 -6.933 -4.007 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.330 -5.417 -4.029 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.227 -7.468 -2.601 1.00 0.00 C ATOM 0 H LEU A 60 -10.163 -9.320 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.932 -6.687 -6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.549 -6.594 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.123 -8.271 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.687 -7.350 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.349 -5.127 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.447 -5.057 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.105 -4.979 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.248 -7.149 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.999 -7.082 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.271 -8.557 -2.615 1.00 0.00 H new ATOM 945 N GLN A 61 -6.653 -7.703 -6.915 1.00 0.00 N ATOM 946 CA GLN A 61 -5.423 -8.334 -7.380 1.00 0.00 C ATOM 947 C GLN A 61 -4.214 -7.453 -7.086 1.00 0.00 C ATOM 948 O GLN A 61 -4.182 -6.279 -7.459 1.00 0.00 O ATOM 949 CB GLN A 61 -5.507 -8.620 -8.880 1.00 0.00 C ATOM 950 CG GLN A 61 -6.576 -9.637 -9.247 1.00 0.00 C ATOM 951 CD GLN A 61 -6.124 -11.066 -9.021 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.390 -11.632 -9.831 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.562 -11.658 -7.916 1.00 0.00 N ATOM 0 H GLN A 61 -6.641 -6.683 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.303 -9.275 -6.844 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.707 -7.688 -9.408 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.539 -8.981 -9.227 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.472 -9.446 -8.657 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.851 -9.508 -10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.169 -11.151 -7.272 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.291 -12.620 -7.711 1.00 0.00 H new ATOM 962 N LEU A 62 -3.221 -8.024 -6.414 1.00 0.00 N ATOM 963 CA LEU A 62 -2.008 -7.290 -6.068 1.00 0.00 C ATOM 964 C LEU A 62 -0.920 -7.515 -7.113 1.00 0.00 C ATOM 965 O LEU A 62 -1.011 -8.427 -7.935 1.00 0.00 O ATOM 966 CB LEU A 62 -1.504 -7.719 -4.689 1.00 0.00 C ATOM 967 CG LEU A 62 -2.556 -7.790 -3.582 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.940 -8.309 -2.292 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.191 -6.425 -3.361 1.00 0.00 C ATOM 0 H LEU A 62 -3.231 -8.994 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.250 -6.227 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.038 -8.700 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.724 -7.025 -4.377 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.336 -8.485 -3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.704 -8.353 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.534 -9.307 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.140 -7.640 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.937 -6.495 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.422 -5.708 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.669 -6.093 -4.282 1.00 0.00 H new ATOM 981 N LYS A 63 0.112 -6.678 -7.074 1.00 0.00 N ATOM 982 CA LYS A 63 1.221 -6.786 -8.014 1.00 0.00 C ATOM 983 C LYS A 63 2.551 -6.506 -7.321 1.00 0.00 C ATOM 984 O LYS A 63 2.624 -5.684 -6.409 1.00 0.00 O ATOM 985 CB LYS A 63 1.026 -5.813 -9.179 1.00 0.00 C ATOM 986 CG LYS A 63 1.452 -6.378 -10.522 1.00 0.00 C ATOM 987 CD LYS A 63 0.293 -7.053 -11.237 1.00 0.00 C ATOM 988 CE LYS A 63 0.774 -7.884 -12.417 1.00 0.00 C ATOM 989 NZ LYS A 63 -0.347 -8.262 -13.322 1.00 0.00 N ATOM 0 H LYS A 63 0.203 -5.917 -6.401 1.00 0.00 H new ATOM 0 HA LYS A 63 1.240 -7.805 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.025 -5.528 -9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.593 -4.904 -8.981 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.848 -5.577 -11.146 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.259 -7.097 -10.376 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.246 -7.691 -10.537 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.411 -6.297 -11.586 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.520 -7.321 -12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.265 -8.786 -12.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.021 -8.827 -14.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.047 -8.821 -12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.800 -7.402 -13.692 1.00 0.00 H new ATOM 1003 N GLU A 64 3.599 -7.194 -7.762 1.00 0.00 N ATOM 1004 CA GLU A 64 4.926 -7.017 -7.184 1.00 0.00 C ATOM 1005 C GLU A 64 6.012 -7.327 -8.210 1.00 0.00 C ATOM 1006 O GLU A 64 6.018 -8.395 -8.822 1.00 0.00 O ATOM 1007 CB GLU A 64 5.096 -7.916 -5.958 1.00 0.00 C ATOM 1008 CG GLU A 64 6.547 -8.190 -5.600 1.00 0.00 C ATOM 1009 CD GLU A 64 7.148 -9.315 -6.419 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.554 -10.414 -6.445 1.00 0.00 O ATOM 1011 OE2 GLU A 64 8.212 -9.097 -7.035 1.00 0.00 O ATOM 0 H GLU A 64 3.555 -7.879 -8.517 1.00 0.00 H new ATOM 0 HA GLU A 64 5.026 -5.975 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.602 -7.450 -5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.590 -8.864 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.132 -7.283 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.615 -8.440 -4.541 1.00 0.00 H new ATOM 1018 N THR A 65 6.932 -6.384 -8.393 1.00 0.00 N ATOM 1019 CA THR A 65 8.022 -6.554 -9.345 1.00 0.00 C ATOM 1020 C THR A 65 9.324 -5.981 -8.798 1.00 0.00 C ATOM 1021 O THR A 65 9.320 -5.209 -7.839 1.00 0.00 O ATOM 1022 CB THR A 65 7.703 -5.878 -10.692 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.707 -6.210 -11.657 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.625 -4.367 -10.533 1.00 0.00 C ATOM 0 H THR A 65 6.943 -5.495 -7.894 1.00 0.00 H new ATOM 0 HA THR A 65 8.138 -7.626 -9.504 1.00 0.00 H new ATOM 0 HB THR A 65 6.735 -6.242 -11.036 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.496 -5.778 -12.511 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.399 -3.911 -11.497 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.840 -4.116 -9.820 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.580 -3.990 -10.168 1.00 0.00 H new ATOM 1032 N PHE A 66 10.438 -6.363 -9.414 1.00 0.00 N ATOM 1033 CA PHE A 66 11.749 -5.887 -8.987 1.00 0.00 C ATOM 1034 C PHE A 66 12.526 -5.306 -10.165 1.00 0.00 C ATOM 1035 O PHE A 66 12.442 -5.808 -11.285 1.00 0.00 O ATOM 1036 CB PHE A 66 12.546 -7.026 -8.348 1.00 0.00 C ATOM 1037 CG PHE A 66 14.009 -6.722 -8.197 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.436 -5.696 -7.370 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.958 -7.464 -8.882 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.781 -5.414 -7.228 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.305 -7.187 -8.744 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.717 -6.160 -7.917 1.00 0.00 C ATOM 0 H PHE A 66 10.459 -7.000 -10.210 1.00 0.00 H new ATOM 0 HA PHE A 66 11.599 -5.099 -8.249 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.126 -7.247 -7.367 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.430 -7.925 -8.954 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.708 -5.109 -6.829 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.642 -8.267 -9.531 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.100 -4.612 -6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.035 -7.773 -9.282 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.769 -5.941 -7.809 1.00 0.00 H new ATOM 1052 N GLU A 67 13.281 -4.244 -9.902 1.00 0.00 N ATOM 1053 CA GLU A 67 14.072 -3.594 -10.941 1.00 0.00 C ATOM 1054 C GLU A 67 15.550 -3.571 -10.565 1.00 0.00 C ATOM 1055 O GLU A 67 16.015 -2.656 -9.885 1.00 0.00 O ATOM 1056 CB GLU A 67 13.572 -2.167 -11.175 1.00 0.00 C ATOM 1057 CG GLU A 67 12.181 -2.101 -11.784 1.00 0.00 C ATOM 1058 CD GLU A 67 11.087 -2.044 -10.736 1.00 0.00 C ATOM 1059 OE1 GLU A 67 11.342 -1.497 -9.643 1.00 0.00 O ATOM 1060 OE2 GLU A 67 9.977 -2.545 -11.009 1.00 0.00 O ATOM 0 H GLU A 67 13.362 -3.816 -8.980 1.00 0.00 H new ATOM 0 HA GLU A 67 13.958 -4.167 -11.861 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.569 -1.632 -10.225 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.272 -1.649 -11.831 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.111 -1.222 -12.425 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.025 -2.973 -12.419 1.00 0.00 H new ATOM 1067 N ARG A 68 16.284 -4.585 -11.012 1.00 0.00 N ATOM 1068 CA ARG A 68 17.710 -4.683 -10.721 1.00 0.00 C ATOM 1069 C ARG A 68 18.461 -3.474 -11.271 1.00 0.00 C ATOM 1070 O ARG A 68 19.517 -3.100 -10.759 1.00 0.00 O ATOM 1071 CB ARG A 68 18.286 -5.969 -11.316 1.00 0.00 C ATOM 1072 CG ARG A 68 17.558 -6.443 -12.563 1.00 0.00 C ATOM 1073 CD ARG A 68 16.546 -7.530 -12.238 1.00 0.00 C ATOM 1074 NE ARG A 68 16.377 -8.469 -13.344 1.00 0.00 N ATOM 1075 CZ ARG A 68 15.308 -9.242 -13.496 1.00 0.00 C ATOM 1076 NH1 ARG A 68 14.317 -9.188 -12.617 1.00 0.00 N ATOM 1077 NH2 ARG A 68 15.227 -10.071 -14.529 1.00 0.00 N ATOM 0 H ARG A 68 15.915 -5.350 -11.577 1.00 0.00 H new ATOM 0 HA ARG A 68 17.834 -4.704 -9.638 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.337 -5.808 -11.558 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.249 -6.756 -10.563 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.050 -5.600 -13.032 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.281 -6.822 -13.286 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.869 -8.072 -11.349 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.586 -7.072 -12.001 1.00 0.00 H new ATOM 0 HE ARG A 68 17.121 -8.535 -14.038 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.375 -8.552 -11.822 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.497 -9.783 -12.736 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.987 -10.115 -15.208 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.405 -10.664 -14.644 1.00 0.00 H new ATOM 1091 N HIS A 69 17.910 -2.867 -12.317 1.00 0.00 N ATOM 1092 CA HIS A 69 18.528 -1.700 -12.937 1.00 0.00 C ATOM 1093 C HIS A 69 18.782 -0.607 -11.904 1.00 0.00 C ATOM 1094 O HIS A 69 19.785 0.103 -11.971 1.00 0.00 O ATOM 1095 CB HIS A 69 17.639 -1.162 -14.059 1.00 0.00 C ATOM 1096 CG HIS A 69 17.007 -2.235 -14.890 1.00 0.00 C ATOM 1097 ND1 HIS A 69 15.758 -2.756 -14.623 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.457 -2.885 -15.989 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.469 -3.681 -15.521 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.483 -3.778 -16.361 1.00 0.00 N ATOM 0 H HIS A 69 17.037 -3.164 -12.753 1.00 0.00 H new ATOM 0 HA HIS A 69 19.486 -2.007 -13.358 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.855 -0.542 -13.624 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.234 -0.517 -14.705 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.406 -2.730 -16.481 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.558 -4.260 -15.561 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.534 -4.413 -17.157 1.00 0.00 H new ATOM 1109 N SER A 70 17.866 -0.477 -10.949 1.00 0.00 N ATOM 1110 CA SER A 70 17.989 0.533 -9.905 1.00 0.00 C ATOM 1111 C SER A 70 17.961 -0.110 -8.522 1.00 0.00 C ATOM 1112 O SER A 70 18.081 0.574 -7.505 1.00 0.00 O ATOM 1113 CB SER A 70 16.862 1.561 -10.025 1.00 0.00 C ATOM 1114 OG SER A 70 17.256 2.814 -9.491 1.00 0.00 O ATOM 0 H SER A 70 17.031 -1.058 -10.877 1.00 0.00 H new ATOM 0 HA SER A 70 18.947 1.038 -10.033 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.584 1.680 -11.072 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.978 1.200 -9.499 1.00 0.00 H new ATOM 0 HG SER A 70 16.519 3.454 -9.581 1.00 0.00 H new ATOM 1120 N ARG A 71 17.802 -1.429 -8.492 1.00 0.00 N ATOM 1121 CA ARG A 71 17.757 -2.165 -7.235 1.00 0.00 C ATOM 1122 C ARG A 71 16.565 -1.725 -6.389 1.00 0.00 C ATOM 1123 O ARG A 71 16.645 -1.678 -5.162 1.00 0.00 O ATOM 1124 CB ARG A 71 19.055 -1.960 -6.452 1.00 0.00 C ATOM 1125 CG ARG A 71 20.262 -2.629 -7.088 1.00 0.00 C ATOM 1126 CD ARG A 71 21.313 -2.987 -6.049 1.00 0.00 C ATOM 1127 NE ARG A 71 22.664 -2.954 -6.603 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.757 -2.799 -5.864 1.00 0.00 C ATOM 1129 NH1 ARG A 71 23.659 -2.665 -4.549 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.952 -2.779 -6.441 1.00 0.00 N ATOM 0 H ARG A 71 17.702 -2.010 -9.324 1.00 0.00 H new ATOM 0 HA ARG A 71 17.644 -3.224 -7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.249 -0.891 -6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.925 -2.348 -5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.945 -3.531 -7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.698 -1.963 -7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.247 -2.291 -5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.108 -3.982 -5.653 1.00 0.00 H new ATOM 0 HE ARG A 71 22.774 -3.055 -7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.742 -2.681 -4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 71 24.500 -2.546 -3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 71 25.032 -2.883 -7.453 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.791 -2.660 -5.873 1.00 0.00 H new ATOM 1144 N VAL A 72 15.461 -1.402 -7.055 1.00 0.00 N ATOM 1145 CA VAL A 72 14.253 -0.966 -6.365 1.00 0.00 C ATOM 1146 C VAL A 72 13.051 -1.808 -6.777 1.00 0.00 C ATOM 1147 O VAL A 72 12.900 -2.165 -7.946 1.00 0.00 O ATOM 1148 CB VAL A 72 13.948 0.517 -6.651 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.673 0.946 -5.941 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.120 1.391 -6.232 1.00 0.00 C ATOM 0 H VAL A 72 15.378 -1.434 -8.071 1.00 0.00 H new ATOM 0 HA VAL A 72 14.434 -1.094 -5.298 1.00 0.00 H new ATOM 0 HB VAL A 72 13.797 0.639 -7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.473 1.996 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.839 0.339 -6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.792 0.811 -4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 72 14.888 2.435 -6.441 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.303 1.266 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.010 1.098 -6.790 1.00 0.00 H new ATOM 1160 N TYR A 73 12.197 -2.124 -5.809 1.00 0.00 N ATOM 1161 CA TYR A 73 11.008 -2.927 -6.069 1.00 0.00 C ATOM 1162 C TYR A 73 9.788 -2.038 -6.287 1.00 0.00 C ATOM 1163 O TYR A 73 9.687 -0.949 -5.719 1.00 0.00 O ATOM 1164 CB TYR A 73 10.752 -3.889 -4.908 1.00 0.00 C ATOM 1165 CG TYR A 73 11.817 -4.952 -4.757 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.047 -4.655 -4.182 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.592 -6.254 -5.187 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.022 -5.623 -4.042 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.561 -7.229 -5.050 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.775 -6.908 -4.478 1.00 0.00 C ATOM 1171 OH TYR A 73 14.743 -7.876 -4.339 1.00 0.00 O ATOM 0 H TYR A 73 12.306 -1.836 -4.837 1.00 0.00 H new ATOM 0 HA TYR A 73 11.182 -3.504 -6.977 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.686 -3.318 -3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.786 -4.372 -5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.244 -3.650 -3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.643 -6.508 -5.636 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.973 -5.375 -3.594 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.370 -8.237 -5.389 1.00 0.00 H new ATOM 0 HH TYR A 73 15.189 -7.771 -3.473 1.00 0.00 H new ATOM 1181 N THR A 74 8.859 -2.510 -7.113 1.00 0.00 N ATOM 1182 CA THR A 74 7.645 -1.760 -7.407 1.00 0.00 C ATOM 1183 C THR A 74 6.401 -2.583 -7.093 1.00 0.00 C ATOM 1184 O THR A 74 6.035 -3.486 -7.847 1.00 0.00 O ATOM 1185 CB THR A 74 7.598 -1.323 -8.884 1.00 0.00 C ATOM 1186 OG1 THR A 74 8.808 -0.639 -9.230 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.405 -0.416 -9.142 1.00 0.00 C ATOM 0 H THR A 74 8.925 -3.409 -7.590 1.00 0.00 H new ATOM 0 HA THR A 74 7.660 -0.873 -6.774 1.00 0.00 H new ATOM 0 HB THR A 74 7.496 -2.215 -9.502 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.772 -0.366 -10.170 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.393 -0.120 -10.191 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.484 -0.949 -8.904 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.481 0.473 -8.516 1.00 0.00 H new ATOM 1195 N PHE A 75 5.753 -2.266 -5.977 1.00 0.00 N ATOM 1196 CA PHE A 75 4.549 -2.977 -5.563 1.00 0.00 C ATOM 1197 C PHE A 75 3.298 -2.182 -5.923 1.00 0.00 C ATOM 1198 O PHE A 75 3.237 -0.972 -5.711 1.00 0.00 O ATOM 1199 CB PHE A 75 4.582 -3.245 -4.057 1.00 0.00 C ATOM 1200 CG PHE A 75 5.924 -3.696 -3.557 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.543 -4.809 -4.103 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.567 -3.007 -2.542 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.779 -5.227 -3.645 1.00 0.00 C ATOM 1204 CE2 PHE A 75 7.803 -3.419 -2.081 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.409 -4.531 -2.632 1.00 0.00 C ATOM 0 H PHE A 75 6.042 -1.521 -5.343 1.00 0.00 H new ATOM 0 HA PHE A 75 4.518 -3.929 -6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.293 -2.337 -3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.839 -4.005 -3.815 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.054 -5.356 -4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.097 -2.138 -2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.251 -6.096 -4.079 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.295 -2.872 -1.290 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.374 -4.856 -2.271 1.00 0.00 H new ATOM 1215 N GLU A 76 2.301 -2.873 -6.469 1.00 0.00 N ATOM 1216 CA GLU A 76 1.052 -2.231 -6.859 1.00 0.00 C ATOM 1217 C GLU A 76 -0.149 -3.022 -6.348 1.00 0.00 C ATOM 1218 O GLU A 76 -0.020 -4.180 -5.953 1.00 0.00 O ATOM 1219 CB GLU A 76 0.976 -2.096 -8.382 1.00 0.00 C ATOM 1220 CG GLU A 76 2.202 -1.441 -8.996 1.00 0.00 C ATOM 1221 CD GLU A 76 2.446 -1.885 -10.425 1.00 0.00 C ATOM 1222 OE1 GLU A 76 2.560 -3.108 -10.654 1.00 0.00 O ATOM 1223 OE2 GLU A 76 2.523 -1.012 -11.314 1.00 0.00 O ATOM 0 H GLU A 76 2.335 -3.876 -6.651 1.00 0.00 H new ATOM 0 HA GLU A 76 1.029 -1.238 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.845 -3.085 -8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.093 -1.512 -8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.081 -0.358 -8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.077 -1.678 -8.391 1.00 0.00 H new ATOM 1230 N MET A 77 -1.316 -2.386 -6.358 1.00 0.00 N ATOM 1231 CA MET A 77 -2.540 -3.030 -5.896 1.00 0.00 C ATOM 1232 C MET A 77 -3.691 -2.768 -6.863 1.00 0.00 C ATOM 1233 O MET A 77 -4.315 -1.708 -6.825 1.00 0.00 O ATOM 1234 CB MET A 77 -2.909 -2.529 -4.498 1.00 0.00 C ATOM 1235 CG MET A 77 -4.197 -3.129 -3.958 1.00 0.00 C ATOM 1236 SD MET A 77 -4.328 -2.993 -2.165 1.00 0.00 S ATOM 1237 CE MET A 77 -4.638 -1.238 -1.980 1.00 0.00 C ATOM 0 H MET A 77 -1.440 -1.426 -6.681 1.00 0.00 H new ATOM 0 HA MET A 77 -2.362 -4.105 -5.854 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.094 -2.760 -3.811 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.006 -1.444 -4.524 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.048 -2.628 -4.420 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.252 -4.179 -4.244 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.619 -0.975 -0.922 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.868 -0.675 -2.508 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.615 -0.995 -2.397 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.965 -3.740 -7.727 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.039 -3.612 -8.704 1.00 0.00 C ATOM 1249 C GLN A 78 -6.378 -4.022 -8.098 1.00 0.00 C ATOM 1250 O GLN A 78 -6.623 -5.203 -7.853 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.741 -4.468 -9.936 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.127 -3.802 -11.247 1.00 0.00 C ATOM 1253 CD GLN A 78 -4.897 -4.699 -12.448 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -5.796 -4.907 -13.263 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.688 -5.236 -12.562 1.00 0.00 N ATOM 0 H GLN A 78 -3.458 -4.624 -7.770 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.101 -2.566 -9.003 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.677 -4.702 -9.957 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.274 -5.415 -9.848 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.178 -3.515 -11.209 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.550 -2.885 -11.368 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.973 -5.036 -11.863 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.474 -5.849 -13.349 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.238 -3.039 -7.858 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.552 -3.297 -7.281 1.00 0.00 C ATOM 1266 C ILE A 79 -9.635 -3.290 -8.354 1.00 0.00 C ATOM 1267 O ILE A 79 -9.908 -2.257 -8.967 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.907 -2.258 -6.201 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.820 -2.216 -5.125 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.260 -2.578 -5.583 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.330 -1.788 -3.767 1.00 0.00 C ATOM 0 H ILE A 79 -7.049 -2.056 -8.054 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.506 -4.284 -6.822 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.966 -1.275 -6.669 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.367 -3.204 -5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.033 -1.531 -5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.497 -1.835 -4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.027 -2.561 -6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.227 -3.567 -5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.505 -1.781 -3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.757 -0.788 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.096 -2.486 -3.429 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.250 -4.447 -8.575 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.306 -4.572 -9.572 1.00 0.00 C ATOM 1285 C ILE A 80 -12.684 -4.523 -8.922 1.00 0.00 C ATOM 1286 O ILE A 80 -12.911 -5.131 -7.875 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.173 -5.883 -10.370 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.708 -6.143 -10.725 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.026 -5.825 -11.628 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -9.004 -7.063 -9.752 1.00 0.00 C ATOM 0 H ILE A 80 -10.035 -5.311 -8.077 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.199 -3.728 -10.254 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.529 -6.706 -9.750 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.656 -6.576 -11.724 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.177 -5.192 -10.762 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.922 -6.758 -12.182 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.071 -5.681 -11.353 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.697 -4.994 -12.252 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.970 -7.202 -10.066 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.024 -6.622 -8.755 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.510 -8.028 -9.732 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.603 -3.797 -9.550 1.00 0.00 N ATOM 1303 CA LYS A 81 -14.961 -3.671 -9.036 1.00 0.00 C ATOM 1304 C LYS A 81 -14.954 -3.157 -7.600 1.00 0.00 C ATOM 1305 O LYS A 81 -15.611 -3.720 -6.725 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.682 -5.019 -9.102 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.755 -5.602 -10.503 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.994 -6.462 -10.686 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.870 -7.367 -11.902 1.00 0.00 C ATOM 1310 NZ LYS A 81 -18.046 -8.268 -12.045 1.00 0.00 N ATOM 0 H LYS A 81 -13.431 -3.287 -10.416 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.492 -2.951 -9.659 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.171 -5.727 -8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.694 -4.900 -8.714 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.761 -4.794 -11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.864 -6.200 -10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.152 -7.069 -9.794 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.869 -5.822 -10.795 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.769 -6.757 -12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.962 -7.965 -11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.923 -8.868 -12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.128 -8.868 -11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.909 -7.698 -12.150 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.207 -2.083 -7.364 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.118 -1.491 -6.035 1.00 0.00 C ATOM 1326 C ALA A 82 -15.504 -1.234 -5.454 1.00 0.00 C ATOM 1327 O ALA A 82 -16.254 -0.397 -5.957 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.317 -0.198 -6.086 1.00 0.00 C ATOM 0 H ALA A 82 -13.655 -1.605 -8.076 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.605 -2.198 -5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.258 0.233 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.311 -0.407 -6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.807 0.507 -6.758 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.839 -1.959 -4.393 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.135 -1.810 -3.742 1.00 0.00 C ATOM 1336 C LYS A 83 -17.074 -0.754 -2.643 1.00 0.00 C ATOM 1337 O LYS A 83 -15.993 -0.316 -2.249 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.591 -3.147 -3.154 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.343 -4.332 -4.072 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.501 -5.651 -3.335 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.768 -6.778 -4.048 1.00 0.00 C ATOM 1342 NZ LYS A 83 -17.218 -8.117 -3.576 1.00 0.00 N ATOM 0 H LYS A 83 -15.230 -2.657 -3.965 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.855 -1.486 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.073 -3.315 -2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.656 -3.090 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.040 -4.297 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.338 -4.266 -4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.117 -5.550 -2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.559 -5.899 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.934 -6.697 -5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.696 -6.676 -3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.696 -8.858 -4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.037 -8.204 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.236 -8.225 -3.757 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.240 -0.350 -2.151 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.319 0.653 -1.095 1.00 0.00 C ATOM 1358 C ASP A 84 -17.551 0.200 0.143 1.00 0.00 C ATOM 1359 O ASP A 84 -17.235 1.004 1.018 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.779 0.929 -0.733 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.283 0.021 0.371 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -19.843 0.192 1.527 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -21.117 -0.862 0.080 1.00 0.00 O ATOM 0 H ASP A 84 -19.144 -0.702 -2.467 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.865 1.572 -1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.883 1.968 -0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.401 0.799 -1.619 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.255 -1.094 0.209 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.526 -1.655 1.341 1.00 0.00 C ATOM 1370 C ASN A 85 -15.028 -1.407 1.199 1.00 0.00 C ATOM 1371 O ASN A 85 -14.270 -1.550 2.159 1.00 0.00 O ATOM 1372 CB ASN A 85 -16.798 -3.156 1.456 1.00 0.00 C ATOM 1373 CG ASN A 85 -16.516 -3.690 2.847 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -16.708 -2.991 3.842 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -16.058 -4.934 2.922 1.00 0.00 N ATOM 0 H ASN A 85 -17.509 -1.774 -0.508 1.00 0.00 H new ATOM 0 HA ASN A 85 -16.874 -1.160 2.247 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -17.838 -3.355 1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.182 -3.691 0.733 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -15.850 -5.347 3.831 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -15.914 -5.477 2.070 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.606 -1.035 -0.005 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.198 -0.768 -0.274 1.00 0.00 C ATOM 1384 C PHE A 86 -12.813 0.635 0.187 1.00 0.00 C ATOM 1385 O PHE A 86 -11.634 0.981 0.240 1.00 0.00 O ATOM 1386 CB PHE A 86 -12.903 -0.925 -1.767 1.00 0.00 C ATOM 1387 CG PHE A 86 -12.999 -2.343 -2.251 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.172 -3.065 -2.095 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -11.917 -2.956 -2.862 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.262 -4.370 -2.538 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -12.002 -4.261 -3.308 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.176 -4.969 -3.147 1.00 0.00 C ATOM 0 H PHE A 86 -15.220 -0.912 -0.810 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.604 -1.491 0.285 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.600 -0.308 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.902 -0.546 -1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -15.025 -2.602 -1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.996 -2.407 -2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.181 -4.922 -2.408 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.151 -4.727 -3.782 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.245 -5.989 -3.496 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.819 1.439 0.520 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.587 2.803 0.977 1.00 0.00 C ATOM 1404 C ALA A 87 -13.328 2.841 2.480 1.00 0.00 C ATOM 1405 O ALA A 87 -14.099 2.293 3.266 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.772 3.688 0.621 1.00 0.00 C ATOM 0 H ALA A 87 -14.802 1.168 0.481 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.699 3.184 0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.585 4.704 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.910 3.694 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.672 3.301 1.099 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.237 3.493 2.872 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.896 3.590 4.279 1.00 0.00 C ATOM 1414 C GLY A 88 -10.430 3.903 4.500 1.00 0.00 C ATOM 1415 O GLY A 88 -9.847 4.715 3.782 1.00 0.00 O ATOM 0 H GLY A 88 -11.584 3.956 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.504 4.366 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.143 2.651 4.775 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.833 3.261 5.498 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.425 3.477 5.813 1.00 0.00 C ATOM 1421 C ASN A 89 -7.599 2.235 5.495 1.00 0.00 C ATOM 1422 O ASN A 89 -7.935 1.128 5.918 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.263 3.848 7.289 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.818 4.116 7.662 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.290 3.531 8.608 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -6.170 5.005 6.919 1.00 0.00 N ATOM 0 H ASN A 89 -10.302 2.587 6.103 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.062 4.299 5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.862 4.733 7.506 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.652 3.040 7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.196 5.227 7.123 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.647 5.466 6.144 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.517 2.427 4.749 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.643 1.322 4.372 1.00 0.00 C ATOM 1435 C TYR A 90 -4.335 1.370 5.157 1.00 0.00 C ATOM 1436 O TYR A 90 -3.982 2.399 5.734 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.352 1.363 2.871 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.508 0.895 2.017 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.767 1.471 2.141 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.342 -0.122 1.085 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.826 1.046 1.363 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.395 -0.552 0.302 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.635 0.034 0.445 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.688 -0.391 -0.333 1.00 0.00 O ATOM 0 H TYR A 90 -6.224 3.337 4.393 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.155 0.390 4.610 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.092 2.383 2.588 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.481 0.742 2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.920 2.264 2.858 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.373 -0.584 0.971 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.798 1.503 1.473 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.248 -1.343 -0.419 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.333 0.339 -0.437 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.621 0.249 5.173 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.353 0.162 5.887 1.00 0.00 C ATOM 1456 C ARG A 91 -1.400 -0.802 5.186 1.00 0.00 C ATOM 1457 O ARG A 91 -1.758 -1.945 4.898 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.585 -0.292 7.329 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.419 0.008 8.257 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.559 -0.725 9.582 1.00 0.00 C ATOM 1461 NE ARG A 91 -0.512 -0.349 10.529 1.00 0.00 N ATOM 1462 CZ ARG A 91 -0.527 -0.686 11.813 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -1.530 -1.402 12.303 1.00 0.00 N ATOM 1464 NH2 ARG A 91 0.463 -0.307 12.612 1.00 0.00 N ATOM 0 H ARG A 91 -3.899 -0.611 4.700 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.900 1.153 5.894 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.480 0.196 7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.778 -1.365 7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.485 -0.283 7.776 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.363 1.081 8.438 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.535 -0.507 10.015 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.521 -1.800 9.407 1.00 0.00 H new ATOM 0 HE ARG A 91 0.274 0.203 10.185 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.293 -1.695 11.693 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.538 -1.659 13.290 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.236 0.244 12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.450 -0.567 13.598 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.187 -0.334 4.914 1.00 0.00 N ATOM 1479 CA CYS A 92 0.817 -1.154 4.246 1.00 0.00 C ATOM 1480 C CYS A 92 2.014 -1.400 5.159 1.00 0.00 C ATOM 1481 O CYS A 92 2.339 -0.570 6.007 1.00 0.00 O ATOM 1482 CB CYS A 92 1.276 -0.481 2.952 1.00 0.00 C ATOM 1483 SG CYS A 92 0.196 -0.790 1.535 1.00 0.00 S ATOM 0 H CYS A 92 0.125 0.609 5.146 1.00 0.00 H new ATOM 0 HA CYS A 92 0.364 -2.116 4.006 1.00 0.00 H new ATOM 0 HB2 CYS A 92 1.341 0.594 3.118 1.00 0.00 H new ATOM 0 HB3 CYS A 92 2.281 -0.828 2.712 1.00 0.00 H new ATOM 0 HG CYS A 92 0.277 -2.041 1.193 1.00 0.00 H new ATOM 1489 N GLU A 93 2.664 -2.545 4.978 1.00 0.00 N ATOM 1490 CA GLU A 93 3.824 -2.900 5.788 1.00 0.00 C ATOM 1491 C GLU A 93 4.856 -3.658 4.958 1.00 0.00 C ATOM 1492 O GLU A 93 4.562 -4.714 4.396 1.00 0.00 O ATOM 1493 CB GLU A 93 3.396 -3.747 6.988 1.00 0.00 C ATOM 1494 CG GLU A 93 2.599 -2.974 8.026 1.00 0.00 C ATOM 1495 CD GLU A 93 2.558 -3.674 9.370 1.00 0.00 C ATOM 1496 OE1 GLU A 93 2.146 -4.852 9.414 1.00 0.00 O ATOM 1497 OE2 GLU A 93 2.940 -3.044 10.378 1.00 0.00 O ATOM 0 H GLU A 93 2.408 -3.242 4.279 1.00 0.00 H new ATOM 0 HA GLU A 93 4.280 -1.978 6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.798 -4.587 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.284 -4.165 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.036 -1.983 8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.581 -2.831 7.664 1.00 0.00 H new ATOM 1504 N VAL A 94 6.065 -3.112 4.885 1.00 0.00 N ATOM 1505 CA VAL A 94 7.141 -3.736 4.124 1.00 0.00 C ATOM 1506 C VAL A 94 8.365 -3.977 5.000 1.00 0.00 C ATOM 1507 O VAL A 94 9.071 -3.039 5.373 1.00 0.00 O ATOM 1508 CB VAL A 94 7.550 -2.872 2.917 1.00 0.00 C ATOM 1509 CG1 VAL A 94 8.627 -3.569 2.101 1.00 0.00 C ATOM 1510 CG2 VAL A 94 6.337 -2.555 2.054 1.00 0.00 C ATOM 0 H VAL A 94 6.324 -2.239 5.344 1.00 0.00 H new ATOM 0 HA VAL A 94 6.761 -4.692 3.764 1.00 0.00 H new ATOM 0 HB VAL A 94 7.960 -1.932 3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.903 -2.943 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.504 -3.740 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.248 -4.525 1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.644 -1.944 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.896 -3.483 1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.601 -2.011 2.646 1.00 0.00 H new ATOM 1520 N THR A 95 8.614 -5.242 5.326 1.00 0.00 N ATOM 1521 CA THR A 95 9.753 -5.607 6.159 1.00 0.00 C ATOM 1522 C THR A 95 10.908 -6.129 5.313 1.00 0.00 C ATOM 1523 O THR A 95 10.839 -7.227 4.760 1.00 0.00 O ATOM 1524 CB THR A 95 9.368 -6.677 7.199 1.00 0.00 C ATOM 1525 OG1 THR A 95 8.082 -6.380 7.755 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.403 -6.747 8.311 1.00 0.00 C ATOM 0 H THR A 95 8.042 -6.031 5.025 1.00 0.00 H new ATOM 0 HA THR A 95 10.068 -4.702 6.679 1.00 0.00 H new ATOM 0 HB THR A 95 9.331 -7.644 6.697 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.043 -5.432 8.002 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.110 -7.509 9.033 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.375 -7.002 7.888 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.467 -5.780 8.810 1.00 0.00 H new ATOM 1534 N TYR A 96 11.969 -5.336 5.216 1.00 0.00 N ATOM 1535 CA TYR A 96 13.140 -5.718 4.435 1.00 0.00 C ATOM 1536 C TYR A 96 14.283 -6.158 5.346 1.00 0.00 C ATOM 1537 O TYR A 96 14.382 -5.721 6.493 1.00 0.00 O ATOM 1538 CB TYR A 96 13.594 -4.552 3.555 1.00 0.00 C ATOM 1539 CG TYR A 96 14.746 -4.899 2.639 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.814 -6.137 2.013 1.00 0.00 C ATOM 1541 CD2 TYR A 96 15.767 -3.986 2.399 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.865 -6.457 1.176 1.00 0.00 C ATOM 1543 CE2 TYR A 96 16.821 -4.298 1.562 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.866 -5.535 0.954 1.00 0.00 C ATOM 1545 OH TYR A 96 17.914 -5.850 0.119 1.00 0.00 O ATOM 0 H TYR A 96 12.043 -4.425 5.668 1.00 0.00 H new ATOM 0 HA TYR A 96 12.863 -6.559 3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.751 -4.212 2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.886 -3.718 4.193 1.00 0.00 H new ATOM 0 HD1 TYR A 96 14.032 -6.862 2.184 1.00 0.00 H new ATOM 0 HD2 TYR A 96 15.736 -3.017 2.875 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.903 -7.425 0.698 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.605 -3.577 1.385 1.00 0.00 H new ATOM 0 HH TYR A 96 18.762 -5.683 0.581 1.00 0.00 H new ATOM 1555 N LYS A 97 15.144 -7.025 4.826 1.00 0.00 N ATOM 1556 CA LYS A 97 16.282 -7.525 5.588 1.00 0.00 C ATOM 1557 C LYS A 97 16.985 -6.388 6.324 1.00 0.00 C ATOM 1558 O LYS A 97 17.257 -6.485 7.521 1.00 0.00 O ATOM 1559 CB LYS A 97 17.271 -8.235 4.662 1.00 0.00 C ATOM 1560 CG LYS A 97 16.603 -9.123 3.625 1.00 0.00 C ATOM 1561 CD LYS A 97 15.390 -9.834 4.199 1.00 0.00 C ATOM 1562 CE LYS A 97 15.040 -11.077 3.395 1.00 0.00 C ATOM 1563 NZ LYS A 97 13.944 -11.859 4.031 1.00 0.00 N ATOM 0 H LYS A 97 15.075 -7.397 3.879 1.00 0.00 H new ATOM 0 HA LYS A 97 15.909 -8.237 6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 97 17.878 -7.488 4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.949 -8.840 5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.301 -8.520 2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.319 -9.860 3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.586 -10.112 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.539 -9.154 4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.741 -10.786 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.925 -11.706 3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.735 -12.698 3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.238 -12.159 4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.092 -11.267 4.103 1.00 0.00 H new ATOM 1577 N ASP A 98 17.275 -5.312 5.601 1.00 0.00 N ATOM 1578 CA ASP A 98 17.944 -4.156 6.186 1.00 0.00 C ATOM 1579 C ASP A 98 17.084 -3.524 7.275 1.00 0.00 C ATOM 1580 O ASP A 98 17.399 -3.615 8.462 1.00 0.00 O ATOM 1581 CB ASP A 98 18.260 -3.122 5.104 1.00 0.00 C ATOM 1582 CG ASP A 98 19.486 -2.293 5.436 1.00 0.00 C ATOM 1583 OD1 ASP A 98 19.462 -1.587 6.466 1.00 0.00 O ATOM 1584 OD2 ASP A 98 20.467 -2.349 4.666 1.00 0.00 O ATOM 0 H ASP A 98 17.057 -5.216 4.609 1.00 0.00 H new ATOM 0 HA ASP A 98 18.876 -4.496 6.637 1.00 0.00 H new ATOM 0 HB2 ASP A 98 18.416 -3.631 4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 98 17.402 -2.462 4.975 1.00 0.00 H new ATOM 1589 N LYS A 99 15.995 -2.881 6.864 1.00 0.00 N ATOM 1590 CA LYS A 99 15.088 -2.233 7.804 1.00 0.00 C ATOM 1591 C LYS A 99 13.634 -2.477 7.413 1.00 0.00 C ATOM 1592 O LYS A 99 13.348 -2.945 6.311 1.00 0.00 O ATOM 1593 CB LYS A 99 15.367 -0.730 7.859 1.00 0.00 C ATOM 1594 CG LYS A 99 16.722 -0.384 8.453 1.00 0.00 C ATOM 1595 CD LYS A 99 16.734 -0.570 9.961 1.00 0.00 C ATOM 1596 CE LYS A 99 17.954 0.082 10.593 1.00 0.00 C ATOM 1597 NZ LYS A 99 17.937 -0.032 12.078 1.00 0.00 N ATOM 0 H LYS A 99 15.720 -2.795 5.886 1.00 0.00 H new ATOM 0 HA LYS A 99 15.258 -2.664 8.791 1.00 0.00 H new ATOM 0 HB2 LYS A 99 15.307 -0.321 6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.587 -0.246 8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.489 -1.013 8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.973 0.649 8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.828 -0.141 10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.725 -1.634 10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.858 -0.385 10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 99 17.991 1.134 10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.785 0.424 12.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.087 0.436 12.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.927 -1.036 12.349 1.00 0.00 H new ATOM 1611 N PHE A 100 12.720 -2.156 8.322 1.00 0.00 N ATOM 1612 CA PHE A 100 11.295 -2.340 8.071 1.00 0.00 C ATOM 1613 C PHE A 100 10.555 -1.007 8.137 1.00 0.00 C ATOM 1614 O PHE A 100 10.608 -0.304 9.146 1.00 0.00 O ATOM 1615 CB PHE A 100 10.699 -3.318 9.085 1.00 0.00 C ATOM 1616 CG PHE A 100 9.251 -3.058 9.389 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.277 -3.288 8.431 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.865 -2.584 10.632 1.00 0.00 C ATOM 1619 CE1 PHE A 100 6.943 -3.050 8.708 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.533 -2.345 10.915 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.571 -2.577 9.951 1.00 0.00 C ATOM 0 H PHE A 100 12.940 -1.767 9.239 1.00 0.00 H new ATOM 0 HA PHE A 100 11.178 -2.751 7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.805 -4.334 8.704 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.272 -3.263 10.011 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.563 -3.657 7.457 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.613 -2.399 11.389 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.193 -3.234 7.953 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.245 -1.977 11.889 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.530 -2.389 10.169 1.00 0.00 H new ATOM 1631 N ASP A 101 9.865 -0.666 7.054 1.00 0.00 N ATOM 1632 CA ASP A 101 9.113 0.582 6.988 1.00 0.00 C ATOM 1633 C ASP A 101 7.658 0.320 6.612 1.00 0.00 C ATOM 1634 O ASP A 101 7.358 -0.605 5.857 1.00 0.00 O ATOM 1635 CB ASP A 101 9.751 1.533 5.974 1.00 0.00 C ATOM 1636 CG ASP A 101 9.763 0.961 4.570 1.00 0.00 C ATOM 1637 OD1 ASP A 101 8.670 0.789 3.990 1.00 0.00 O ATOM 1638 OD2 ASP A 101 10.865 0.686 4.051 1.00 0.00 O ATOM 0 H ASP A 101 9.811 -1.236 6.210 1.00 0.00 H new ATOM 0 HA ASP A 101 9.137 1.045 7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.206 2.477 5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.773 1.755 6.281 1.00 0.00 H new ATOM 1643 N SER A 102 6.758 1.140 7.146 1.00 0.00 N ATOM 1644 CA SER A 102 5.333 0.994 6.871 1.00 0.00 C ATOM 1645 C SER A 102 4.681 2.355 6.647 1.00 0.00 C ATOM 1646 O SER A 102 5.256 3.393 6.976 1.00 0.00 O ATOM 1647 CB SER A 102 4.641 0.268 8.026 1.00 0.00 C ATOM 1648 OG SER A 102 4.961 0.867 9.270 1.00 0.00 O ATOM 0 H SER A 102 6.990 1.912 7.771 1.00 0.00 H new ATOM 0 HA SER A 102 5.222 0.403 5.962 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.561 0.287 7.877 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.943 -0.779 8.035 1.00 0.00 H new ATOM 0 HG SER A 102 4.505 0.386 9.992 1.00 0.00 H new ATOM 1654 N CYS A 103 3.477 2.342 6.086 1.00 0.00 N ATOM 1655 CA CYS A 103 2.745 3.574 5.817 1.00 0.00 C ATOM 1656 C CYS A 103 1.250 3.302 5.688 1.00 0.00 C ATOM 1657 O CYS A 103 0.830 2.157 5.518 1.00 0.00 O ATOM 1658 CB CYS A 103 3.268 4.234 4.540 1.00 0.00 C ATOM 1659 SG CYS A 103 2.747 3.409 3.017 1.00 0.00 S ATOM 0 H CYS A 103 2.987 1.491 5.809 1.00 0.00 H new ATOM 0 HA CYS A 103 2.901 4.251 6.657 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.929 5.270 4.514 1.00 0.00 H new ATOM 0 HB3 CYS A 103 4.357 4.256 4.575 1.00 0.00 H new ATOM 0 HG CYS A 103 1.744 4.052 2.496 1.00 0.00 H new ATOM 1665 N SER A 104 0.452 4.361 5.770 1.00 0.00 N ATOM 1666 CA SER A 104 -0.998 4.236 5.668 1.00 0.00 C ATOM 1667 C SER A 104 -1.578 5.343 4.793 1.00 0.00 C ATOM 1668 O SER A 104 -1.066 6.462 4.766 1.00 0.00 O ATOM 1669 CB SER A 104 -1.634 4.283 7.059 1.00 0.00 C ATOM 1670 OG SER A 104 -1.586 5.593 7.597 1.00 0.00 O ATOM 0 H SER A 104 0.784 5.316 5.907 1.00 0.00 H new ATOM 0 HA SER A 104 -1.224 3.275 5.205 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.670 3.948 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.113 3.594 7.724 1.00 0.00 H new ATOM 0 HG SER A 104 -2.000 5.597 8.485 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.652 5.021 4.079 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.303 5.987 3.201 1.00 0.00 C ATOM 1678 C PHE A 105 -4.818 5.943 3.374 1.00 0.00 C ATOM 1679 O PHE A 105 -5.335 5.231 4.235 1.00 0.00 O ATOM 1680 CB PHE A 105 -2.937 5.709 1.741 1.00 0.00 C ATOM 1681 CG PHE A 105 -3.261 4.311 1.297 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -2.367 3.276 1.518 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -4.458 4.033 0.659 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -2.662 1.988 1.111 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -4.759 2.748 0.250 1.00 0.00 C ATOM 1686 CZ PHE A 105 -3.859 1.724 0.475 1.00 0.00 C ATOM 0 H PHE A 105 -3.090 4.100 4.091 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.952 6.982 3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.465 6.416 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.871 5.888 1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.429 3.478 2.014 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.165 4.830 0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.957 1.189 1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.697 2.544 -0.245 1.00 0.00 H new ATOM 0 HZ PHE A 105 -4.091 0.719 0.154 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.524 6.709 2.550 1.00 0.00 N ATOM 1697 CA ASP A 106 -6.980 6.759 2.610 1.00 0.00 C ATOM 1698 C ASP A 106 -7.590 6.509 1.234 1.00 0.00 C ATOM 1699 O ASP A 106 -7.156 7.086 0.237 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.444 8.113 3.148 1.00 0.00 C ATOM 1701 CG ASP A 106 -6.692 9.273 2.524 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -6.770 9.434 1.288 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -6.027 10.019 3.271 1.00 0.00 O ATOM 0 H ASP A 106 -5.111 7.304 1.832 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.318 5.973 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.511 8.230 2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.310 8.136 4.229 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.597 5.644 1.188 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.267 5.316 -0.066 1.00 0.00 C ATOM 1710 C LEU A 107 -10.757 5.631 0.013 1.00 0.00 C ATOM 1711 O LEU A 107 -11.426 5.269 0.980 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.064 3.837 -0.404 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.451 3.413 -1.821 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -10.962 3.288 -1.946 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -8.909 4.404 -2.841 1.00 0.00 C ATOM 0 H LEU A 107 -8.968 5.157 2.004 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.827 5.927 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.014 3.590 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.642 3.241 0.303 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.008 2.437 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.219 2.985 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.325 2.540 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.426 4.249 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.194 4.086 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.322 5.393 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.822 4.443 -2.768 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.269 6.306 -1.011 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.681 6.669 -1.056 1.00 0.00 C ATOM 1729 C GLU A 108 -13.387 5.962 -2.210 1.00 0.00 C ATOM 1730 O GLU A 108 -12.763 5.607 -3.210 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.837 8.184 -1.200 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.935 8.914 0.129 1.00 0.00 C ATOM 1733 CD GLU A 108 -13.875 8.230 1.103 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -15.099 8.456 1.005 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -13.386 7.467 1.962 1.00 0.00 O ATOM 0 H GLU A 108 -10.728 6.612 -1.820 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.142 6.351 -0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.988 8.577 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.731 8.395 -1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.943 8.983 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.278 9.934 -0.045 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.693 5.762 -2.063 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.485 5.098 -3.092 1.00 0.00 C ATOM 1744 C VAL A 109 -16.774 5.862 -3.371 1.00 0.00 C ATOM 1745 O VAL A 109 -17.613 6.031 -2.484 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.834 3.654 -2.688 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.550 2.940 -3.824 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.579 2.897 -2.279 1.00 0.00 C ATOM 0 H VAL A 109 -15.225 6.050 -1.242 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.876 5.077 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.506 3.688 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.789 1.921 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.470 3.472 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.905 2.915 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.844 1.878 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.881 2.871 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.112 3.398 -1.431 1.00 0.00 H new ATOM 1758 N HIS A 110 -16.928 6.323 -4.608 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.117 7.069 -5.004 1.00 0.00 C ATOM 1760 C HIS A 110 -19.065 6.189 -5.813 1.00 0.00 C ATOM 1761 O HIS A 110 -18.629 5.361 -6.612 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.724 8.300 -5.821 1.00 0.00 C ATOM 1763 CG HIS A 110 -16.964 9.323 -5.033 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -16.785 10.622 -5.461 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.337 9.233 -3.837 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.079 11.286 -4.564 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -15.795 10.466 -3.568 1.00 0.00 N ATOM 0 H HIS A 110 -16.244 6.193 -5.354 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.632 7.392 -4.099 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.119 7.984 -6.671 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.625 8.761 -6.226 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.274 8.355 -3.211 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.784 12.323 -4.633 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.260 10.709 -2.734 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.364 6.375 -5.599 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.373 5.597 -6.308 1.00 0.00 C ATOM 1778 C GLU A 111 -21.270 5.815 -7.815 1.00 0.00 C ATOM 1779 O GLU A 111 -21.224 6.951 -8.287 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.774 5.974 -5.822 1.00 0.00 C ATOM 1781 CG GLU A 111 -23.051 5.564 -4.385 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.520 5.289 -4.130 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.261 6.251 -3.835 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -24.929 4.113 -4.223 1.00 0.00 O ATOM 0 H GLU A 111 -20.742 7.057 -4.941 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.195 4.542 -6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -22.904 7.052 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.513 5.507 -6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.472 4.672 -4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.711 6.353 -3.714 1.00 0.00 H new ATOM 1791 N SER A 112 -21.233 4.718 -8.565 1.00 0.00 N ATOM 1792 CA SER A 112 -21.131 4.788 -10.018 1.00 0.00 C ATOM 1793 C SER A 112 -22.491 5.077 -10.645 1.00 0.00 C ATOM 1794 O SER A 112 -23.236 4.159 -10.990 1.00 0.00 O ATOM 1795 CB SER A 112 -20.567 3.480 -10.574 1.00 0.00 C ATOM 1796 OG SER A 112 -20.491 3.518 -11.989 1.00 0.00 O ATOM 0 H SER A 112 -21.272 3.770 -8.190 1.00 0.00 H new ATOM 0 HA SER A 112 -20.454 5.604 -10.271 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.575 3.302 -10.158 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.197 2.647 -10.263 1.00 0.00 H new ATOM 0 HG SER A 112 -20.126 2.671 -12.320 1.00 0.00 H new ATOM 1802 N THR A 113 -22.809 6.359 -10.790 1.00 0.00 N ATOM 1803 CA THR A 113 -24.079 6.771 -11.374 1.00 0.00 C ATOM 1804 C THR A 113 -23.862 7.690 -12.570 1.00 0.00 C ATOM 1805 O THR A 113 -22.886 8.437 -12.622 1.00 0.00 O ATOM 1806 CB THR A 113 -24.966 7.491 -10.341 1.00 0.00 C ATOM 1807 OG1 THR A 113 -24.354 8.724 -9.945 1.00 0.00 O ATOM 1808 CG2 THR A 113 -25.192 6.616 -9.117 1.00 0.00 C ATOM 0 H THR A 113 -22.204 7.131 -10.511 1.00 0.00 H new ATOM 0 HA THR A 113 -24.584 5.863 -11.704 1.00 0.00 H new ATOM 0 HB THR A 113 -25.931 7.696 -10.804 1.00 0.00 H new ATOM 0 HG1 THR A 113 -24.925 9.177 -9.289 1.00 0.00 H new ATOM 0 HG21 THR A 113 -25.821 7.146 -8.402 1.00 0.00 H new ATOM 0 HG22 THR A 113 -25.684 5.691 -9.417 1.00 0.00 H new ATOM 0 HG23 THR A 113 -24.233 6.383 -8.654 1.00 0.00 H new ATOM 1816 N GLY A 114 -24.780 7.632 -13.530 1.00 0.00 N ATOM 1817 CA GLY A 114 -24.671 8.465 -14.713 1.00 0.00 C ATOM 1818 C GLY A 114 -25.902 9.322 -14.935 1.00 0.00 C ATOM 1819 O GLY A 114 -27.030 8.836 -14.847 1.00 0.00 O ATOM 0 H GLY A 114 -25.598 7.023 -13.509 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -23.796 9.108 -14.621 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -24.511 7.832 -15.586 1.00 0.00 H new ATOM 1823 N THR A 115 -25.686 10.602 -15.221 1.00 0.00 N ATOM 1824 CA THR A 115 -26.786 11.529 -15.452 1.00 0.00 C ATOM 1825 C THR A 115 -27.244 11.488 -16.906 1.00 0.00 C ATOM 1826 O THR A 115 -26.432 11.587 -17.827 1.00 0.00 O ATOM 1827 CB THR A 115 -26.390 12.973 -15.092 1.00 0.00 C ATOM 1828 OG1 THR A 115 -27.471 13.866 -15.383 1.00 0.00 O ATOM 1829 CG2 THR A 115 -25.150 13.402 -15.863 1.00 0.00 C ATOM 0 H THR A 115 -24.759 11.020 -15.298 1.00 0.00 H new ATOM 0 HA THR A 115 -27.605 11.213 -14.806 1.00 0.00 H new ATOM 0 HB THR A 115 -26.167 13.009 -14.026 1.00 0.00 H new ATOM 0 HG1 THR A 115 -27.211 14.782 -15.149 1.00 0.00 H new ATOM 0 HG21 THR A 115 -24.889 14.425 -15.592 1.00 0.00 H new ATOM 0 HG22 THR A 115 -24.321 12.739 -15.617 1.00 0.00 H new ATOM 0 HG23 THR A 115 -25.351 13.350 -16.933 1.00 0.00 H new ATOM 1837 N THR A 116 -28.550 11.341 -17.107 1.00 0.00 N ATOM 1838 CA THR A 116 -29.115 11.285 -18.449 1.00 0.00 C ATOM 1839 C THR A 116 -30.231 12.310 -18.618 1.00 0.00 C ATOM 1840 O THR A 116 -31.007 12.576 -17.699 1.00 0.00 O ATOM 1841 CB THR A 116 -29.668 9.884 -18.768 1.00 0.00 C ATOM 1842 OG1 THR A 116 -30.576 9.469 -17.741 1.00 0.00 O ATOM 1843 CG2 THR A 116 -28.539 8.872 -18.892 1.00 0.00 C ATOM 0 H THR A 116 -29.236 11.259 -16.357 1.00 0.00 H new ATOM 0 HA THR A 116 -28.306 11.514 -19.143 1.00 0.00 H new ATOM 0 HB THR A 116 -30.196 9.935 -19.720 1.00 0.00 H new ATOM 0 HG1 THR A 116 -30.924 8.578 -17.953 1.00 0.00 H new ATOM 0 HG21 THR A 116 -28.954 7.890 -19.118 1.00 0.00 H new ATOM 0 HG22 THR A 116 -27.866 9.174 -19.694 1.00 0.00 H new ATOM 0 HG23 THR A 116 -27.987 8.826 -17.953 1.00 0.00 H new ATOM 1851 N PRO A 117 -30.317 12.900 -19.819 1.00 0.00 N ATOM 1852 CA PRO A 117 -31.336 13.904 -20.137 1.00 0.00 C ATOM 1853 C PRO A 117 -32.735 13.304 -20.223 1.00 0.00 C ATOM 1854 O PRO A 117 -33.128 12.768 -21.259 1.00 0.00 O ATOM 1855 CB PRO A 117 -30.897 14.435 -21.504 1.00 0.00 C ATOM 1856 CG PRO A 117 -30.110 13.324 -22.107 1.00 0.00 C ATOM 1857 CD PRO A 117 -29.426 12.632 -20.960 1.00 0.00 C ATOM 0 HA PRO A 117 -31.404 14.673 -19.367 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -31.756 14.693 -22.123 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -30.294 15.338 -21.403 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -30.759 12.635 -22.648 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -29.382 13.705 -22.823 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -29.318 11.563 -21.143 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -28.425 13.029 -20.790 1.00 0.00 H new ATOM 1865 N ASN A 118 -33.483 13.397 -19.128 1.00 0.00 N ATOM 1866 CA ASN A 118 -34.839 12.862 -19.081 1.00 0.00 C ATOM 1867 C ASN A 118 -35.820 13.805 -19.769 1.00 0.00 C ATOM 1868 O ASN A 118 -35.450 14.900 -20.193 1.00 0.00 O ATOM 1869 CB ASN A 118 -35.268 12.631 -17.630 1.00 0.00 C ATOM 1870 CG ASN A 118 -34.596 11.419 -17.015 1.00 0.00 C ATOM 1871 OD1 ASN A 118 -34.162 10.509 -17.722 1.00 0.00 O ATOM 1872 ND2 ASN A 118 -34.508 11.400 -15.690 1.00 0.00 N ATOM 0 H ASN A 118 -33.173 13.838 -18.262 1.00 0.00 H new ATOM 0 HA ASN A 118 -34.846 11.910 -19.611 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -35.029 13.515 -17.038 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -36.350 12.503 -17.590 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -34.067 10.610 -15.219 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -34.881 12.176 -15.143 1.00 0.00 H new ATOM 1879 N ILE A 119 -37.072 13.373 -19.876 1.00 0.00 N ATOM 1880 CA ILE A 119 -38.107 14.180 -20.511 1.00 0.00 C ATOM 1881 C ILE A 119 -37.996 15.642 -20.095 1.00 0.00 C ATOM 1882 O ILE A 119 -38.142 15.977 -18.919 1.00 0.00 O ATOM 1883 CB ILE A 119 -39.516 13.664 -20.163 1.00 0.00 C ATOM 1884 CG1 ILE A 119 -39.692 12.226 -20.656 1.00 0.00 C ATOM 1885 CG2 ILE A 119 -40.576 14.571 -20.769 1.00 0.00 C ATOM 1886 CD1 ILE A 119 -39.221 11.185 -19.664 1.00 0.00 C ATOM 0 H ILE A 119 -37.394 12.469 -19.531 1.00 0.00 H new ATOM 0 HA ILE A 119 -37.955 14.098 -21.587 1.00 0.00 H new ATOM 0 HB ILE A 119 -39.634 13.674 -19.079 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -40.745 12.053 -20.879 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -39.144 12.101 -21.590 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -41.566 14.194 -20.515 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -40.460 15.580 -20.374 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -40.462 14.590 -21.853 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -39.376 10.190 -20.080 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -38.161 11.331 -19.459 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -39.787 11.283 -18.737 1.00 0.00 H new ATOM 1898 N ASP A 120 -37.739 16.511 -21.067 1.00 0.00 N ATOM 1899 CA ASP A 120 -37.612 17.939 -20.802 1.00 0.00 C ATOM 1900 C ASP A 120 -38.964 18.548 -20.442 1.00 0.00 C ATOM 1901 O ASP A 120 -39.976 18.258 -21.081 1.00 0.00 O ATOM 1902 CB ASP A 120 -37.025 18.654 -22.020 1.00 0.00 C ATOM 1903 CG ASP A 120 -36.370 19.973 -21.657 1.00 0.00 C ATOM 1904 OD1 ASP A 120 -35.981 20.138 -20.482 1.00 0.00 O ATOM 1905 OD2 ASP A 120 -36.248 20.840 -22.547 1.00 0.00 O ATOM 0 H ASP A 120 -37.615 16.251 -22.045 1.00 0.00 H new ATOM 0 HA ASP A 120 -36.939 18.068 -19.954 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -36.290 18.006 -22.499 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -37.816 18.833 -22.749 1.00 0.00 H new ATOM 1910 N SER A 121 -38.973 19.391 -19.415 1.00 0.00 N ATOM 1911 CA SER A 121 -40.201 20.036 -18.967 1.00 0.00 C ATOM 1912 C SER A 121 -40.925 20.698 -20.135 1.00 0.00 C ATOM 1913 O SER A 121 -40.354 21.525 -20.846 1.00 0.00 O ATOM 1914 CB SER A 121 -39.892 21.077 -17.889 1.00 0.00 C ATOM 1915 OG SER A 121 -39.043 22.095 -18.391 1.00 0.00 O ATOM 0 H SER A 121 -38.144 19.643 -18.877 1.00 0.00 H new ATOM 0 HA SER A 121 -40.851 19.269 -18.546 1.00 0.00 H new ATOM 0 HB2 SER A 121 -40.821 21.519 -17.529 1.00 0.00 H new ATOM 0 HB3 SER A 121 -39.418 20.592 -17.036 1.00 0.00 H new ATOM 0 HG SER A 121 -39.233 22.241 -19.341 1.00 0.00 H new ATOM 1921 N GLY A 122 -42.187 20.327 -20.329 1.00 0.00 N ATOM 1922 CA GLY A 122 -42.969 20.893 -21.412 1.00 0.00 C ATOM 1923 C GLY A 122 -44.029 21.859 -20.919 1.00 0.00 C ATOM 1924 O GLY A 122 -45.183 21.489 -20.703 1.00 0.00 O ATOM 0 H GLY A 122 -42.682 19.644 -19.755 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -42.304 21.410 -22.104 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -43.447 20.088 -21.970 1.00 0.00 H new ATOM 1928 N PRO A 123 -43.638 23.128 -20.731 1.00 0.00 N ATOM 1929 CA PRO A 123 -44.548 24.175 -20.257 1.00 0.00 C ATOM 1930 C PRO A 123 -45.595 24.549 -21.301 1.00 0.00 C ATOM 1931 O PRO A 123 -46.459 25.390 -21.053 1.00 0.00 O ATOM 1932 CB PRO A 123 -43.616 25.359 -19.987 1.00 0.00 C ATOM 1933 CG PRO A 123 -42.444 25.130 -20.879 1.00 0.00 C ATOM 1934 CD PRO A 123 -42.277 23.639 -20.968 1.00 0.00 C ATOM 0 HA PRO A 123 -45.118 23.856 -19.384 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -44.105 26.307 -20.211 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -43.315 25.395 -18.940 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -42.613 25.563 -21.865 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -41.548 25.600 -20.474 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -41.898 23.335 -21.944 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -41.573 23.268 -20.223 1.00 0.00 H new ATOM 1942 N SER A 124 -45.512 23.919 -22.468 1.00 0.00 N ATOM 1943 CA SER A 124 -46.451 24.188 -23.550 1.00 0.00 C ATOM 1944 C SER A 124 -47.863 24.389 -23.007 1.00 0.00 C ATOM 1945 O SER A 124 -48.465 25.447 -23.190 1.00 0.00 O ATOM 1946 CB SER A 124 -46.440 23.040 -24.561 1.00 0.00 C ATOM 1947 OG SER A 124 -46.703 21.800 -23.927 1.00 0.00 O ATOM 0 H SER A 124 -44.804 23.219 -22.688 1.00 0.00 H new ATOM 0 HA SER A 124 -46.138 25.105 -24.049 1.00 0.00 H new ATOM 0 HB2 SER A 124 -47.188 23.223 -25.333 1.00 0.00 H new ATOM 0 HB3 SER A 124 -45.471 22.999 -25.059 1.00 0.00 H new ATOM 0 HG SER A 124 -46.692 21.083 -24.594 1.00 0.00 H new ATOM 1953 N SER A 125 -48.384 23.365 -22.339 1.00 0.00 N ATOM 1954 CA SER A 125 -49.726 23.427 -21.772 1.00 0.00 C ATOM 1955 C SER A 125 -50.730 23.928 -22.806 1.00 0.00 C ATOM 1956 O SER A 125 -51.720 24.574 -22.464 1.00 0.00 O ATOM 1957 CB SER A 125 -49.743 24.339 -20.544 1.00 0.00 C ATOM 1958 OG SER A 125 -49.095 25.569 -20.814 1.00 0.00 O ATOM 0 H SER A 125 -47.898 22.483 -22.177 1.00 0.00 H new ATOM 0 HA SER A 125 -50.013 22.420 -21.471 1.00 0.00 H new ATOM 0 HB2 SER A 125 -50.773 24.526 -20.240 1.00 0.00 H new ATOM 0 HB3 SER A 125 -49.250 23.840 -19.710 1.00 0.00 H new ATOM 0 HG SER A 125 -49.249 25.822 -21.748 1.00 0.00 H new ATOM 1964 N GLY A 126 -50.466 23.626 -24.073 1.00 0.00 N ATOM 1965 CA GLY A 126 -51.355 24.054 -25.138 1.00 0.00 C ATOM 1966 C GLY A 126 -51.706 22.926 -26.088 1.00 0.00 C ATOM 1967 O GLY A 126 -52.880 22.612 -26.282 1.00 0.00 O ATOM 0 H GLY A 126 -49.653 23.093 -24.381 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -52.270 24.457 -24.704 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -50.884 24.863 -25.697 1.00 0.00 H new TER 1971 GLY A 126