USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 SER OG : rot -167:sc= 1.42 USER MOD Set 1.2: A 107 SER OG : rot 57:sc= 1.43 USER MOD Set 2.1: A 49 TYR OH : rot 7:sc= 1.29 USER MOD Set 2.2: A 81 HIS : no HD1:sc= 0.248 K(o=1.5,f=-7.6!) USER MOD Set 3.1: A 5 GLN : amide:sc= 0.286 X(o=0.56,f=0.19) USER MOD Set 3.2: A 35 THR OG1 : rot 180:sc= 0.271 USER MOD Single : A 4 MET CE :methyl 149:sc= -0.239 (180deg=-0.647) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 17 ASN : amide:sc= -0.0447 K(o=-0.045,f=-1.6!) USER MOD Single : A 23 MET CE :methyl -112:sc= -0.873 (180deg=-1.95) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.374 K(o=-0.37,f=-1.2) USER MOD Single : A 36 GLN : amide:sc= 0.811 K(o=0.81,f=-0.16) USER MOD Single : A 41 MET CE :methyl 154:sc= -0.24 (180deg=-0.996) USER MOD Single : A 47 THR OG1 : rot -73:sc= 1.42 USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0.553 (180deg=0.538) USER MOD Single : A 55 GLN : amide:sc= 0.681 K(o=0.68,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -167:sc= 1.34 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 165:sc= 0.876 USER MOD Single : A 68 SER OG : rot -174:sc= 1.17 USER MOD Single : A 70 GLN : amide:sc= 0.193 X(o=0.19,f=-0.15) USER MOD Single : A 72 MET CE :methyl -164:sc= -0.0198 (180deg=-0.312) USER MOD Single : A 74 THR OG1 : rot -150:sc=-0.00771 USER MOD Single : A 77 ASN : amide:sc= -0.445 K(o=-0.45,f=-3.5!) USER MOD Single : A 83 HIS : no HD1:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.184 K(o=-0.18,f=-10!) USER MOD Single : A 89 HIS : no HD1:sc= -0.131 K(o=-0.13,f=-0.73) USER MOD Single : A 91 CYS SG : rot -52:sc= -0.287 USER MOD Single : A 93 SER OG : rot 114:sc= 1.25 USER MOD Single : A 96 THR OG1 : rot -14:sc= 0.743 USER MOD Single : A 100 SER OG : rot 180:sc= 0.047 USER MOD Single : A 106 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.58) USER MOD Single : A 109 CYS SG : rot 126:sc= -0.705 USER MOD Single : A 111 SER OG : rot 75:sc= 1.18 USER MOD Single : A 114 SER OG : rot 67:sc= 1.25 USER MOD Single : A 115 MET CE :methyl 156:sc= -0.195 (180deg=-1.25) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -11:sc= 0.979 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 2.249 -6.092 -18.948 1.00 0.00 N ATOM 42 CA MET A 4 1.900 -5.914 -17.554 1.00 0.00 C ATOM 43 C MET A 4 1.791 -4.440 -17.260 1.00 0.00 C ATOM 44 O MET A 4 0.799 -3.995 -16.687 1.00 0.00 O ATOM 45 CB MET A 4 2.953 -6.512 -16.638 1.00 0.00 C ATOM 46 CG MET A 4 2.599 -6.347 -15.175 1.00 0.00 C ATOM 47 SD MET A 4 3.020 -4.732 -14.478 1.00 0.00 S ATOM 48 CE MET A 4 4.807 -4.723 -14.425 1.00 0.00 C ATOM 0 HA MET A 4 0.952 -6.421 -17.373 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.070 -7.572 -16.865 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.914 -6.037 -16.833 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.529 -6.514 -15.052 1.00 0.00 H new ATOM 0 HG3 MET A 4 3.110 -7.120 -14.601 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.170 -3.704 -14.557 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.144 -5.106 -13.462 1.00 0.00 H new ATOM 0 HE3 MET A 4 5.198 -5.354 -15.223 1.00 0.00 H new ATOM 58 N GLN A 5 2.837 -3.713 -17.653 1.00 0.00 N ATOM 59 CA GLN A 5 2.940 -2.281 -17.459 1.00 0.00 C ATOM 60 C GLN A 5 1.866 -1.554 -18.235 1.00 0.00 C ATOM 61 O GLN A 5 1.386 -0.527 -17.767 1.00 0.00 O ATOM 62 CB GLN A 5 4.322 -1.766 -17.879 1.00 0.00 C ATOM 63 CG GLN A 5 5.445 -2.207 -16.960 1.00 0.00 C ATOM 64 CD GLN A 5 6.829 -1.734 -17.375 1.00 0.00 C ATOM 65 OE1 GLN A 5 7.277 -1.929 -18.514 1.00 0.00 O ATOM 66 NE2 GLN A 5 7.510 -1.099 -16.422 1.00 0.00 N ATOM 0 H GLN A 5 3.647 -4.118 -18.123 1.00 0.00 H new ATOM 0 HA GLN A 5 2.802 -2.083 -16.396 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.536 -2.111 -18.890 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.299 -0.677 -17.912 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.238 -1.842 -15.954 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.448 -3.296 -16.909 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.094 -0.965 -15.501 1.00 0.00 H new ATOM 0 HE22 GLN A 5 8.448 -0.747 -16.614 1.00 0.00 H new ATOM 75 N LYS A 6 1.515 -2.047 -19.420 1.00 0.00 N ATOM 76 CA LYS A 6 0.458 -1.440 -20.215 1.00 0.00 C ATOM 77 C LYS A 6 -0.910 -1.577 -19.542 1.00 0.00 C ATOM 78 O LYS A 6 -1.673 -0.609 -19.494 1.00 0.00 O ATOM 79 CB LYS A 6 0.441 -2.088 -21.599 1.00 0.00 C ATOM 80 CG LYS A 6 1.644 -1.740 -22.469 1.00 0.00 C ATOM 81 CD LYS A 6 1.577 -2.456 -23.810 1.00 0.00 C ATOM 82 CE LYS A 6 2.783 -2.143 -24.684 1.00 0.00 C ATOM 83 NZ LYS A 6 2.720 -2.868 -25.986 1.00 0.00 N ATOM 0 H LYS A 6 1.949 -2.865 -19.848 1.00 0.00 H new ATOM 0 HA LYS A 6 0.663 -0.373 -20.307 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.394 -3.170 -21.480 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.468 -1.785 -22.118 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.680 -0.663 -22.630 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.563 -2.016 -21.952 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.519 -3.532 -23.644 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.666 -2.164 -24.332 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.832 -1.070 -24.867 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.696 -2.419 -24.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.557 -2.631 -26.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.698 -3.893 -25.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.861 -2.586 -26.499 1.00 0.00 H new ATOM 97 N ARG A 7 -1.209 -2.772 -19.021 1.00 0.00 N ATOM 98 CA ARG A 7 -2.467 -3.020 -18.321 1.00 0.00 C ATOM 99 C ARG A 7 -2.533 -2.211 -17.040 1.00 0.00 C ATOM 100 O ARG A 7 -3.569 -1.626 -16.716 1.00 0.00 O ATOM 101 CB ARG A 7 -2.609 -4.495 -17.974 1.00 0.00 C ATOM 102 CG ARG A 7 -2.849 -5.427 -19.147 1.00 0.00 C ATOM 103 CD ARG A 7 -3.251 -6.791 -18.716 1.00 0.00 C ATOM 104 NE ARG A 7 -2.231 -7.429 -17.894 1.00 0.00 N ATOM 105 CZ ARG A 7 -1.161 -8.094 -18.373 1.00 0.00 C ATOM 106 NH1 ARG A 7 -0.974 -8.172 -19.674 1.00 0.00 N ATOM 107 NH2 ARG A 7 -0.297 -8.655 -17.543 1.00 0.00 N ATOM 0 H ARG A 7 -0.592 -3.583 -19.073 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.278 -2.722 -18.986 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.705 -4.816 -17.457 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.434 -4.606 -17.271 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.625 -5.008 -19.787 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.942 -5.492 -19.747 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.184 -6.733 -18.155 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.445 -7.406 -19.595 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.334 -7.368 -16.881 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.637 -7.731 -20.312 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.167 -8.674 -20.044 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.439 -8.585 -16.535 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.511 -9.157 -17.911 1.00 0.00 H new ATOM 121 N LEU A 8 -1.406 -2.205 -16.334 1.00 0.00 N ATOM 122 CA LEU A 8 -1.209 -1.478 -15.100 1.00 0.00 C ATOM 123 C LEU A 8 -1.385 -0.001 -15.322 1.00 0.00 C ATOM 124 O LEU A 8 -2.041 0.647 -14.514 1.00 0.00 O ATOM 125 CB LEU A 8 0.172 -1.755 -14.538 1.00 0.00 C ATOM 126 CG LEU A 8 0.492 -0.988 -13.265 1.00 0.00 C ATOM 127 CD1 LEU A 8 -0.496 -1.362 -12.168 1.00 0.00 C ATOM 128 CD2 LEU A 8 1.912 -1.323 -12.884 1.00 0.00 C ATOM 0 H LEU A 8 -0.579 -2.728 -16.623 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.957 -1.815 -14.383 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.263 -2.823 -14.338 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.916 -1.508 -15.295 1.00 0.00 H new ATOM 0 HG LEU A 8 0.401 0.088 -13.415 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.259 -0.808 -11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.508 -1.115 -12.490 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.430 -2.431 -11.968 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.179 -0.790 -11.972 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.000 -2.396 -12.716 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.584 -1.026 -13.689 1.00 0.00 H new ATOM 140 N GLN A 9 -0.763 0.519 -16.378 1.00 0.00 N ATOM 141 CA GLN A 9 -0.877 1.912 -16.759 1.00 0.00 C ATOM 142 C GLN A 9 -2.328 2.285 -16.893 1.00 0.00 C ATOM 143 O GLN A 9 -2.721 3.290 -16.312 1.00 0.00 O ATOM 144 CB GLN A 9 -0.164 2.200 -18.079 1.00 0.00 C ATOM 145 CG GLN A 9 -0.253 3.650 -18.518 1.00 0.00 C ATOM 146 CD GLN A 9 0.442 3.897 -19.842 1.00 0.00 C ATOM 147 OE1 GLN A 9 0.457 3.039 -20.730 1.00 0.00 O ATOM 148 NE2 GLN A 9 1.029 5.079 -19.985 1.00 0.00 N ATOM 0 H GLN A 9 -0.161 -0.026 -16.995 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.403 2.506 -15.978 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.886 1.923 -17.982 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.590 1.567 -18.857 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.301 3.938 -18.602 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.192 4.286 -17.753 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.994 5.761 -19.227 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.515 5.305 -20.853 1.00 0.00 H new ATOM 157 N LYS A 10 -3.107 1.497 -17.633 1.00 0.00 N ATOM 158 CA LYS A 10 -4.526 1.785 -17.798 1.00 0.00 C ATOM 159 C LYS A 10 -5.263 1.814 -16.460 1.00 0.00 C ATOM 160 O LYS A 10 -6.120 2.677 -16.254 1.00 0.00 O ATOM 161 CB LYS A 10 -5.147 0.745 -18.722 1.00 0.00 C ATOM 162 CG LYS A 10 -4.706 0.869 -20.172 1.00 0.00 C ATOM 163 CD LYS A 10 -5.327 -0.223 -21.028 1.00 0.00 C ATOM 164 CE LYS A 10 -4.871 -0.117 -22.476 1.00 0.00 C ATOM 165 NZ LYS A 10 -5.449 -1.201 -23.317 1.00 0.00 N ATOM 0 H LYS A 10 -2.781 0.663 -18.122 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.622 2.777 -18.239 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.890 -0.250 -18.358 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.232 0.832 -18.674 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.992 1.847 -20.560 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.619 0.808 -20.231 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.054 -1.200 -20.629 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.414 -0.152 -20.981 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.164 0.852 -22.880 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.783 -0.164 -22.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.116 -1.096 -24.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.149 -2.125 -22.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.487 -1.140 -23.296 1.00 0.00 H new ATOM 179 N GLU A 11 -4.936 0.872 -15.570 1.00 0.00 N ATOM 180 CA GLU A 11 -5.501 0.836 -14.224 1.00 0.00 C ATOM 181 C GLU A 11 -5.173 2.126 -13.475 1.00 0.00 C ATOM 182 O GLU A 11 -6.042 2.734 -12.845 1.00 0.00 O ATOM 183 CB GLU A 11 -4.979 -0.381 -13.446 1.00 0.00 C ATOM 184 CG GLU A 11 -5.562 -0.512 -12.048 1.00 0.00 C ATOM 185 CD GLU A 11 -5.108 -1.723 -11.275 1.00 0.00 C ATOM 186 OE1 GLU A 11 -4.307 -2.504 -11.742 1.00 0.00 O ATOM 187 OE2 GLU A 11 -5.602 -1.859 -10.180 1.00 0.00 O ATOM 0 H GLU A 11 -4.276 0.119 -15.764 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.584 0.748 -14.310 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.206 -1.286 -14.010 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.894 -0.315 -13.372 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.303 0.381 -11.479 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.649 -0.537 -12.126 1.00 0.00 H new ATOM 194 N LEU A 12 -3.908 2.522 -13.540 1.00 0.00 N ATOM 195 CA LEU A 12 -3.443 3.718 -12.871 1.00 0.00 C ATOM 196 C LEU A 12 -4.001 4.985 -13.511 1.00 0.00 C ATOM 197 O LEU A 12 -4.204 5.956 -12.789 1.00 0.00 O ATOM 198 CB LEU A 12 -1.912 3.725 -12.862 1.00 0.00 C ATOM 199 CG LEU A 12 -1.295 2.617 -11.992 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.224 2.644 -12.114 1.00 0.00 C ATOM 201 CD2 LEU A 12 -1.758 2.813 -10.568 1.00 0.00 C ATOM 0 H LEU A 12 -3.184 2.023 -14.056 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.810 3.708 -11.845 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.551 3.616 -13.885 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.564 4.693 -12.503 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.622 1.633 -12.329 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.653 1.856 -11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.508 2.483 -13.154 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.599 3.612 -11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.330 2.035 -9.936 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.433 3.790 -10.211 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.846 2.755 -10.528 1.00 0.00 H new ATOM 213 N LEU A 13 -4.247 4.991 -14.826 1.00 0.00 N ATOM 214 CA LEU A 13 -4.858 6.130 -15.505 1.00 0.00 C ATOM 215 C LEU A 13 -6.277 6.313 -14.999 1.00 0.00 C ATOM 216 O LEU A 13 -6.730 7.449 -14.838 1.00 0.00 O ATOM 217 CB LEU A 13 -4.870 5.937 -17.029 1.00 0.00 C ATOM 218 CG LEU A 13 -3.520 6.008 -17.759 1.00 0.00 C ATOM 219 CD1 LEU A 13 -3.713 5.595 -19.211 1.00 0.00 C ATOM 220 CD2 LEU A 13 -2.985 7.425 -17.667 1.00 0.00 C ATOM 0 H LEU A 13 -4.028 4.209 -15.443 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.265 7.018 -15.286 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.318 4.967 -17.243 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.526 6.693 -17.460 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.801 5.330 -17.299 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.758 5.644 -19.733 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.097 4.576 -19.251 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.423 6.269 -19.690 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.026 7.486 -18.182 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.692 8.112 -18.133 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.852 7.696 -16.620 1.00 0.00 H new ATOM 232 N ALA A 14 -6.973 5.198 -14.756 1.00 0.00 N ATOM 233 CA ALA A 14 -8.300 5.263 -14.166 1.00 0.00 C ATOM 234 C ALA A 14 -8.186 5.899 -12.786 1.00 0.00 C ATOM 235 O ALA A 14 -9.050 6.692 -12.411 1.00 0.00 O ATOM 236 CB ALA A 14 -8.933 3.884 -14.083 1.00 0.00 C ATOM 0 H ALA A 14 -6.640 4.255 -14.958 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.949 5.871 -14.796 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.925 3.965 -13.638 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.018 3.462 -15.084 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.311 3.234 -13.467 1.00 0.00 H new ATOM 242 N LEU A 15 -7.136 5.549 -12.036 1.00 0.00 N ATOM 243 CA LEU A 15 -6.929 6.176 -10.741 1.00 0.00 C ATOM 244 C LEU A 15 -6.413 7.608 -10.851 1.00 0.00 C ATOM 245 O LEU A 15 -6.521 8.368 -9.895 1.00 0.00 O ATOM 246 CB LEU A 15 -5.970 5.368 -9.878 1.00 0.00 C ATOM 247 CG LEU A 15 -6.489 3.996 -9.468 1.00 0.00 C ATOM 248 CD1 LEU A 15 -5.428 3.300 -8.637 1.00 0.00 C ATOM 249 CD2 LEU A 15 -7.800 4.165 -8.723 1.00 0.00 C ATOM 0 H LEU A 15 -6.438 4.854 -12.299 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.911 6.204 -10.270 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.033 5.240 -10.421 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.742 5.940 -8.978 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.688 3.370 -10.338 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.788 2.316 -8.337 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.518 3.189 -9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.214 3.894 -7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.178 3.187 -8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.638 4.776 -7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.527 4.653 -9.372 1.00 0.00 H new ATOM 261 N GLN A 16 -5.805 8.006 -11.963 1.00 0.00 N ATOM 262 CA GLN A 16 -5.470 9.417 -12.090 1.00 0.00 C ATOM 263 C GLN A 16 -6.778 10.194 -12.199 1.00 0.00 C ATOM 264 O GLN A 16 -6.901 11.293 -11.655 1.00 0.00 O ATOM 265 CB GLN A 16 -4.576 9.707 -13.299 1.00 0.00 C ATOM 266 CG GLN A 16 -3.158 9.178 -13.183 1.00 0.00 C ATOM 267 CD GLN A 16 -2.325 9.489 -14.410 1.00 0.00 C ATOM 268 OE1 GLN A 16 -2.819 10.063 -15.385 1.00 0.00 O ATOM 269 NE2 GLN A 16 -1.051 9.115 -14.369 1.00 0.00 N ATOM 0 H GLN A 16 -5.546 7.409 -12.749 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.899 9.723 -11.213 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.038 9.276 -14.187 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.535 10.785 -13.453 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.682 9.612 -12.304 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.187 8.099 -13.030 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.684 8.643 -13.542 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.439 9.300 -15.164 1.00 0.00 H new ATOM 278 N ASN A 17 -7.746 9.630 -12.922 1.00 0.00 N ATOM 279 CA ASN A 17 -9.062 10.244 -13.022 1.00 0.00 C ATOM 280 C ASN A 17 -9.851 10.162 -11.709 1.00 0.00 C ATOM 281 O ASN A 17 -10.616 11.074 -11.392 1.00 0.00 O ATOM 282 CB ASN A 17 -9.832 9.605 -14.158 1.00 0.00 C ATOM 283 CG ASN A 17 -9.303 10.035 -15.497 1.00 0.00 C ATOM 284 OD1 ASN A 17 -8.671 11.091 -15.619 1.00 0.00 O ATOM 285 ND2 ASN A 17 -9.550 9.240 -16.507 1.00 0.00 N ATOM 0 H ASN A 17 -7.642 8.758 -13.441 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.921 11.305 -13.228 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.772 8.520 -14.074 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.886 9.873 -14.080 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.217 9.482 -17.440 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.075 8.378 -16.361 1.00 0.00 H new ATOM 292 N ASP A 18 -9.677 9.078 -10.954 1.00 0.00 N ATOM 293 CA ASP A 18 -10.331 8.909 -9.660 1.00 0.00 C ATOM 294 C ASP A 18 -9.476 8.023 -8.746 1.00 0.00 C ATOM 295 O ASP A 18 -9.694 6.812 -8.719 1.00 0.00 O ATOM 296 CB ASP A 18 -11.711 8.279 -9.852 1.00 0.00 C ATOM 297 CG ASP A 18 -12.523 8.189 -8.566 1.00 0.00 C ATOM 298 OD1 ASP A 18 -12.011 8.548 -7.533 1.00 0.00 O ATOM 299 OD2 ASP A 18 -13.649 7.756 -8.630 1.00 0.00 O ATOM 0 H ASP A 18 -9.080 8.295 -11.222 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.446 9.888 -9.194 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.269 8.862 -10.584 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.590 7.278 -10.267 1.00 0.00 H new ATOM 304 N PRO A 19 -8.531 8.597 -7.988 1.00 0.00 N ATOM 305 CA PRO A 19 -7.596 7.906 -7.118 1.00 0.00 C ATOM 306 C PRO A 19 -8.212 7.343 -5.848 1.00 0.00 C ATOM 307 O PRO A 19 -9.337 7.708 -5.502 1.00 0.00 O ATOM 308 CB PRO A 19 -6.595 9.031 -6.817 1.00 0.00 C ATOM 309 CG PRO A 19 -7.404 10.293 -6.911 1.00 0.00 C ATOM 310 CD PRO A 19 -8.425 10.062 -8.005 1.00 0.00 C ATOM 0 HA PRO A 19 -7.173 7.013 -7.579 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.155 8.915 -5.827 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.773 9.033 -7.533 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.894 10.513 -5.962 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.768 11.146 -7.147 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.377 10.546 -7.789 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.087 10.439 -8.970 1.00 0.00 H new ATOM 318 N PRO A 20 -7.507 6.450 -5.145 1.00 0.00 N ATOM 319 CA PRO A 20 -7.964 5.860 -3.914 1.00 0.00 C ATOM 320 C PRO A 20 -8.281 6.997 -2.937 1.00 0.00 C ATOM 321 O PRO A 20 -7.460 7.907 -2.823 1.00 0.00 O ATOM 322 CB PRO A 20 -6.735 5.038 -3.500 1.00 0.00 C ATOM 323 CG PRO A 20 -6.005 4.765 -4.789 1.00 0.00 C ATOM 324 CD PRO A 20 -6.180 6.022 -5.610 1.00 0.00 C ATOM 0 HA PRO A 20 -8.866 5.250 -3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.108 5.589 -2.799 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.027 4.111 -3.006 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.951 4.555 -4.609 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.420 3.897 -5.302 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.408 6.764 -5.406 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.158 5.826 -6.682 1.00 0.00 H new ATOM 332 N PRO A 21 -9.437 7.000 -2.269 1.00 0.00 N ATOM 333 CA PRO A 21 -9.824 8.007 -1.298 1.00 0.00 C ATOM 334 C PRO A 21 -8.769 8.300 -0.238 1.00 0.00 C ATOM 335 O PRO A 21 -8.464 7.448 0.596 1.00 0.00 O ATOM 336 CB PRO A 21 -11.071 7.339 -0.704 1.00 0.00 C ATOM 337 CG PRO A 21 -11.619 6.504 -1.832 1.00 0.00 C ATOM 338 CD PRO A 21 -10.419 5.951 -2.564 1.00 0.00 C ATOM 0 HA PRO A 21 -9.978 8.994 -1.734 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.819 6.724 0.160 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.797 8.079 -0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.248 5.700 -1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.238 7.106 -2.497 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.113 4.975 -2.186 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.599 5.837 -3.633 1.00 0.00 H new ATOM 346 N GLY A 22 -8.273 9.538 -0.238 1.00 0.00 N ATOM 347 CA GLY A 22 -7.228 9.979 0.686 1.00 0.00 C ATOM 348 C GLY A 22 -5.812 9.823 0.115 1.00 0.00 C ATOM 349 O GLY A 22 -4.823 10.049 0.818 1.00 0.00 O ATOM 0 H GLY A 22 -8.586 10.265 -0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.396 11.025 0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.305 9.408 1.611 1.00 0.00 H new ATOM 353 N MET A 23 -5.703 9.429 -1.158 1.00 0.00 N ATOM 354 CA MET A 23 -4.395 9.234 -1.779 1.00 0.00 C ATOM 355 C MET A 23 -4.123 10.075 -3.032 1.00 0.00 C ATOM 356 O MET A 23 -4.981 10.225 -3.903 1.00 0.00 O ATOM 357 CB MET A 23 -4.216 7.767 -2.163 1.00 0.00 C ATOM 358 CG MET A 23 -4.166 6.786 -0.998 1.00 0.00 C ATOM 359 SD MET A 23 -5.809 6.480 -0.333 1.00 0.00 S ATOM 360 CE MET A 23 -5.650 5.138 0.826 1.00 0.00 C ATOM 0 H MET A 23 -6.497 9.241 -1.770 1.00 0.00 H new ATOM 0 HA MET A 23 -3.686 9.563 -1.019 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.035 7.480 -2.823 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.295 7.670 -2.737 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.724 5.846 -1.329 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.521 7.182 -0.213 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.162 4.258 0.436 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.595 4.908 0.974 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.096 5.425 1.778 1.00 0.00 H new ATOM 370 N THR A 24 -2.904 10.619 -3.093 1.00 0.00 N ATOM 371 CA THR A 24 -2.394 11.425 -4.202 1.00 0.00 C ATOM 372 C THR A 24 -1.364 10.564 -4.918 1.00 0.00 C ATOM 373 O THR A 24 -0.452 10.009 -4.305 1.00 0.00 O ATOM 374 CB THR A 24 -1.767 12.756 -3.738 1.00 0.00 C ATOM 375 OG1 THR A 24 -2.758 13.558 -3.079 1.00 0.00 O ATOM 376 CG2 THR A 24 -1.214 13.516 -4.934 1.00 0.00 C ATOM 0 H THR A 24 -2.222 10.505 -2.343 1.00 0.00 H new ATOM 0 HA THR A 24 -3.215 11.709 -4.860 1.00 0.00 H new ATOM 0 HB THR A 24 -0.955 12.539 -3.043 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.354 14.401 -2.785 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.773 14.454 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.451 12.913 -5.427 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.021 13.726 -5.636 1.00 0.00 H new ATOM 384 N LEU A 25 -1.490 10.444 -6.232 1.00 0.00 N ATOM 385 CA LEU A 25 -0.607 9.509 -6.914 1.00 0.00 C ATOM 386 C LEU A 25 0.468 10.115 -7.815 1.00 0.00 C ATOM 387 O LEU A 25 0.247 11.144 -8.456 1.00 0.00 O ATOM 388 CB LEU A 25 -1.489 8.606 -7.771 1.00 0.00 C ATOM 389 CG LEU A 25 -2.644 7.919 -7.030 1.00 0.00 C ATOM 390 CD1 LEU A 25 -3.400 7.072 -8.039 1.00 0.00 C ATOM 391 CD2 LEU A 25 -2.119 7.129 -5.846 1.00 0.00 C ATOM 0 H LEU A 25 -2.154 10.949 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.053 8.995 -6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.904 9.199 -8.586 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.862 7.838 -8.224 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.337 8.646 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.230 6.569 -7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.786 7.711 -8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.728 6.328 -8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.951 6.648 -5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.421 6.369 -6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.607 7.802 -5.158 1.00 0.00 H new ATOM 403 N ASN A 26 1.636 9.472 -7.855 1.00 0.00 N ATOM 404 CA ASN A 26 2.710 9.880 -8.757 1.00 0.00 C ATOM 405 C ASN A 26 3.604 8.667 -9.024 1.00 0.00 C ATOM 406 O ASN A 26 3.322 7.586 -8.514 1.00 0.00 O ATOM 407 CB ASN A 26 3.461 11.083 -8.201 1.00 0.00 C ATOM 408 CG ASN A 26 4.148 10.874 -6.882 1.00 0.00 C ATOM 409 OD1 ASN A 26 5.238 10.294 -6.842 1.00 0.00 O ATOM 410 ND2 ASN A 26 3.543 11.330 -5.815 1.00 0.00 N ATOM 0 H ASN A 26 1.861 8.666 -7.272 1.00 0.00 H new ATOM 0 HA ASN A 26 2.306 10.214 -9.713 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.208 11.391 -8.933 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.758 11.909 -8.096 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.971 11.213 -4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.643 11.802 -5.902 1.00 0.00 H new ATOM 542 N THR A 35 8.605 -0.007 -13.092 1.00 0.00 N ATOM 543 CA THR A 35 7.463 0.626 -12.445 1.00 0.00 C ATOM 544 C THR A 35 7.770 0.938 -10.984 1.00 0.00 C ATOM 545 O THR A 35 8.215 0.068 -10.232 1.00 0.00 O ATOM 546 CB THR A 35 6.202 -0.251 -12.505 1.00 0.00 C ATOM 547 OG1 THR A 35 5.848 -0.532 -13.868 1.00 0.00 O ATOM 548 CG2 THR A 35 5.059 0.487 -11.824 1.00 0.00 C ATOM 0 HA THR A 35 7.273 1.549 -12.993 1.00 0.00 H new ATOM 0 HB THR A 35 6.397 -1.195 -11.997 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.044 -1.093 -13.888 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.158 -0.125 -11.860 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.322 0.685 -10.785 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.877 1.431 -12.339 1.00 0.00 H new ATOM 556 N GLN A 36 7.516 2.188 -10.609 1.00 0.00 N ATOM 557 CA GLN A 36 7.720 2.731 -9.269 1.00 0.00 C ATOM 558 C GLN A 36 6.500 3.558 -8.894 1.00 0.00 C ATOM 559 O GLN A 36 6.525 4.788 -8.961 1.00 0.00 O ATOM 560 CB GLN A 36 8.980 3.600 -9.211 1.00 0.00 C ATOM 561 CG GLN A 36 10.296 2.885 -9.466 1.00 0.00 C ATOM 562 CD GLN A 36 10.721 2.002 -8.310 1.00 0.00 C ATOM 563 OE1 GLN A 36 11.464 2.443 -7.429 1.00 0.00 O ATOM 564 NE2 GLN A 36 10.240 0.766 -8.282 1.00 0.00 N ATOM 0 H GLN A 36 7.146 2.881 -11.259 1.00 0.00 H new ATOM 0 HA GLN A 36 7.853 1.909 -8.565 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.878 4.402 -9.942 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.029 4.069 -8.228 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.205 2.277 -10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.074 3.624 -9.657 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.628 0.440 -9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.482 0.142 -7.512 1.00 0.00 H new ATOM 573 N TRP A 37 5.415 2.894 -8.500 1.00 0.00 N ATOM 574 CA TRP A 37 4.203 3.650 -8.214 1.00 0.00 C ATOM 575 C TRP A 37 4.288 4.228 -6.811 1.00 0.00 C ATOM 576 O TRP A 37 4.535 3.522 -5.837 1.00 0.00 O ATOM 577 CB TRP A 37 2.964 2.773 -8.403 1.00 0.00 C ATOM 578 CG TRP A 37 1.651 3.468 -8.178 1.00 0.00 C ATOM 579 CD1 TRP A 37 1.277 4.693 -8.648 1.00 0.00 C ATOM 580 CD2 TRP A 37 0.519 2.969 -7.425 1.00 0.00 C ATOM 581 NE1 TRP A 37 -0.002 4.984 -8.241 1.00 0.00 N ATOM 582 CE2 TRP A 37 -0.480 3.939 -7.491 1.00 0.00 C ATOM 583 CE3 TRP A 37 0.274 1.796 -6.710 1.00 0.00 C ATOM 584 CZ2 TRP A 37 -1.711 3.764 -6.874 1.00 0.00 C ATOM 585 CZ3 TRP A 37 -0.945 1.633 -6.075 1.00 0.00 C ATOM 586 CH2 TRP A 37 -1.917 2.591 -6.159 1.00 0.00 C ATOM 0 H TRP A 37 5.350 1.884 -8.376 1.00 0.00 H new ATOM 0 HA TRP A 37 4.112 4.479 -8.916 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.975 2.369 -9.415 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.030 1.925 -7.721 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.896 5.340 -9.252 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.514 5.839 -8.461 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.027 1.024 -6.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.483 4.515 -6.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.131 0.735 -5.504 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.862 2.433 -5.660 1.00 0.00 H new ATOM 597 N ILE A 38 4.104 5.535 -6.702 1.00 0.00 N ATOM 598 CA ILE A 38 4.197 6.190 -5.407 1.00 0.00 C ATOM 599 C ILE A 38 2.873 6.754 -4.918 1.00 0.00 C ATOM 600 O ILE A 38 2.170 7.512 -5.593 1.00 0.00 O ATOM 601 CB ILE A 38 5.245 7.302 -5.443 1.00 0.00 C ATOM 602 CG1 ILE A 38 6.613 6.697 -5.763 1.00 0.00 C ATOM 603 CG2 ILE A 38 5.265 8.040 -4.112 1.00 0.00 C ATOM 604 CD1 ILE A 38 7.668 7.735 -6.041 1.00 0.00 C ATOM 0 H ILE A 38 3.892 6.156 -7.483 1.00 0.00 H new ATOM 0 HA ILE A 38 4.495 5.416 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 38 4.994 8.023 -6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.934 6.077 -4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.520 6.041 -6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.014 8.831 -4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.284 8.477 -3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.511 7.341 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.615 7.242 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.367 8.340 -6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.787 8.376 -5.167 1.00 0.00 H new ATOM 616 N VAL A 39 2.527 6.364 -3.700 1.00 0.00 N ATOM 617 CA VAL A 39 1.277 6.814 -3.126 1.00 0.00 C ATOM 618 C VAL A 39 1.441 7.687 -1.902 1.00 0.00 C ATOM 619 O VAL A 39 1.990 7.254 -0.888 1.00 0.00 O ATOM 620 CB VAL A 39 0.435 5.597 -2.744 1.00 0.00 C ATOM 621 CG1 VAL A 39 -0.872 6.045 -2.123 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.221 4.763 -3.991 1.00 0.00 C ATOM 0 H VAL A 39 3.083 5.750 -3.105 1.00 0.00 H new ATOM 0 HA VAL A 39 0.792 7.424 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 39 0.945 4.987 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.465 5.171 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.667 6.634 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.425 6.653 -2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.378 3.887 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.298 5.358 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.186 4.443 -4.385 1.00 0.00 H new ATOM 632 N ASP A 40 0.975 8.927 -2.004 1.00 0.00 N ATOM 633 CA ASP A 40 0.994 9.823 -0.865 1.00 0.00 C ATOM 634 C ASP A 40 -0.356 9.640 -0.189 1.00 0.00 C ATOM 635 O ASP A 40 -1.399 9.774 -0.821 1.00 0.00 O ATOM 636 CB ASP A 40 1.277 11.271 -1.264 1.00 0.00 C ATOM 637 CG ASP A 40 2.727 11.510 -1.700 1.00 0.00 C ATOM 638 OD1 ASP A 40 3.532 10.624 -1.540 1.00 0.00 O ATOM 639 OD2 ASP A 40 3.036 12.602 -2.122 1.00 0.00 O ATOM 0 H ASP A 40 0.584 9.327 -2.857 1.00 0.00 H new ATOM 0 HA ASP A 40 1.808 9.585 -0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.609 11.553 -2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.046 11.924 -0.422 1.00 0.00 H new ATOM 644 N MET A 41 -0.358 9.368 1.105 1.00 0.00 N ATOM 645 CA MET A 41 -1.602 9.063 1.798 1.00 0.00 C ATOM 646 C MET A 41 -1.828 9.814 3.099 1.00 0.00 C ATOM 647 O MET A 41 -0.923 9.971 3.913 1.00 0.00 O ATOM 648 CB MET A 41 -1.620 7.557 2.040 1.00 0.00 C ATOM 649 CG MET A 41 -2.817 7.001 2.782 1.00 0.00 C ATOM 650 SD MET A 41 -2.695 5.207 2.930 1.00 0.00 S ATOM 651 CE MET A 41 -1.327 5.092 4.068 1.00 0.00 C ATOM 0 H MET A 41 0.476 9.351 1.692 1.00 0.00 H new ATOM 0 HA MET A 41 -2.421 9.398 1.161 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.556 7.057 1.074 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.721 7.291 2.597 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.878 7.450 3.773 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.734 7.266 2.255 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.393 4.156 4.623 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.389 5.120 3.513 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.362 5.930 4.764 1.00 0.00 H new ATOM 661 N GLU A 42 -3.035 10.338 3.285 1.00 0.00 N ATOM 662 CA GLU A 42 -3.342 11.024 4.538 1.00 0.00 C ATOM 663 C GLU A 42 -3.970 10.064 5.542 1.00 0.00 C ATOM 664 O GLU A 42 -4.898 9.331 5.194 1.00 0.00 O ATOM 665 CB GLU A 42 -4.276 12.210 4.311 1.00 0.00 C ATOM 666 CG GLU A 42 -4.570 12.997 5.582 1.00 0.00 C ATOM 667 CD GLU A 42 -5.469 14.178 5.352 1.00 0.00 C ATOM 668 OE1 GLU A 42 -5.865 14.389 4.230 1.00 0.00 O ATOM 669 OE2 GLU A 42 -5.758 14.876 6.296 1.00 0.00 O ATOM 0 H GLU A 42 -3.797 10.305 2.608 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.400 11.397 4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.831 12.878 3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.214 11.849 3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.032 12.334 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.630 13.342 6.013 1.00 0.00 H new ATOM 676 N GLY A 43 -3.456 10.048 6.771 1.00 0.00 N ATOM 677 CA GLY A 43 -4.026 9.187 7.800 1.00 0.00 C ATOM 678 C GLY A 43 -5.481 9.538 8.101 1.00 0.00 C ATOM 679 O GLY A 43 -5.857 10.710 8.194 1.00 0.00 O ATOM 0 H GLY A 43 -2.661 10.611 7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.963 8.148 7.478 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.436 9.274 8.713 1.00 0.00 H new ATOM 683 N ALA A 44 -6.267 8.488 8.331 1.00 0.00 N ATOM 684 CA ALA A 44 -7.710 8.551 8.538 1.00 0.00 C ATOM 685 C ALA A 44 -8.136 9.363 9.771 1.00 0.00 C ATOM 686 O ALA A 44 -7.531 9.232 10.841 1.00 0.00 O ATOM 687 CB ALA A 44 -8.255 7.136 8.666 1.00 0.00 C ATOM 0 H ALA A 44 -5.902 7.537 8.380 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.121 9.068 7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.333 7.174 8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.039 6.579 7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.784 6.640 9.515 1.00 0.00 H new ATOM 693 N PRO A 45 -9.202 10.164 9.648 1.00 0.00 N ATOM 694 CA PRO A 45 -9.688 11.019 10.696 1.00 0.00 C ATOM 695 C PRO A 45 -10.290 10.249 11.843 1.00 0.00 C ATOM 696 O PRO A 45 -11.023 9.278 11.650 1.00 0.00 O ATOM 697 CB PRO A 45 -10.734 11.853 9.948 1.00 0.00 C ATOM 698 CG PRO A 45 -11.168 10.991 8.793 1.00 0.00 C ATOM 699 CD PRO A 45 -9.949 10.197 8.385 1.00 0.00 C ATOM 0 HA PRO A 45 -8.907 11.609 11.175 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.576 12.101 10.594 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.312 12.796 9.600 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.984 10.330 9.084 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.531 11.601 7.966 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.206 9.198 8.032 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.388 10.683 7.587 1.00 0.00 H new ATOM 707 N GLY A 46 -9.971 10.708 13.046 1.00 0.00 N ATOM 708 CA GLY A 46 -10.438 10.071 14.262 1.00 0.00 C ATOM 709 C GLY A 46 -9.491 8.967 14.722 1.00 0.00 C ATOM 710 O GLY A 46 -9.712 8.380 15.783 1.00 0.00 O ATOM 0 H GLY A 46 -9.384 11.528 13.202 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.535 10.818 15.050 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.431 9.653 14.095 1.00 0.00 H new ATOM 714 N THR A 47 -8.442 8.668 13.947 1.00 0.00 N ATOM 715 CA THR A 47 -7.526 7.612 14.341 1.00 0.00 C ATOM 716 C THR A 47 -6.244 8.212 14.859 1.00 0.00 C ATOM 717 O THR A 47 -6.011 9.418 14.772 1.00 0.00 O ATOM 718 CB THR A 47 -7.130 6.698 13.174 1.00 0.00 C ATOM 719 OG1 THR A 47 -6.271 7.421 12.283 1.00 0.00 O ATOM 720 CG2 THR A 47 -8.389 6.286 12.431 1.00 0.00 C ATOM 0 H THR A 47 -8.216 9.133 13.068 1.00 0.00 H new ATOM 0 HA THR A 47 -8.052 7.030 15.098 1.00 0.00 H new ATOM 0 HB THR A 47 -6.611 5.815 13.547 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.799 8.074 11.778 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.123 5.635 11.598 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.054 5.753 13.110 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.894 7.174 12.051 1.00 0.00 H new ATOM 728 N LEU A 48 -5.372 7.334 15.333 1.00 0.00 N ATOM 729 CA LEU A 48 -4.069 7.715 15.852 1.00 0.00 C ATOM 730 C LEU A 48 -3.138 8.257 14.774 1.00 0.00 C ATOM 731 O LEU A 48 -2.099 8.835 15.098 1.00 0.00 O ATOM 732 CB LEU A 48 -3.397 6.502 16.500 1.00 0.00 C ATOM 733 CG LEU A 48 -4.078 5.959 17.759 1.00 0.00 C ATOM 734 CD1 LEU A 48 -3.368 4.685 18.195 1.00 0.00 C ATOM 735 CD2 LEU A 48 -4.032 7.019 18.849 1.00 0.00 C ATOM 0 H LEU A 48 -5.551 6.330 15.368 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.243 8.508 16.579 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.346 5.701 15.763 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.371 6.770 16.751 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.123 5.721 17.559 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.846 4.291 19.092 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.426 3.945 17.397 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.322 4.906 18.409 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.516 6.637 19.748 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.994 7.266 19.072 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.553 7.914 18.509 1.00 0.00 H new ATOM 747 N TYR A 49 -3.493 8.075 13.501 1.00 0.00 N ATOM 748 CA TYR A 49 -2.658 8.531 12.416 1.00 0.00 C ATOM 749 C TYR A 49 -3.271 9.724 11.687 1.00 0.00 C ATOM 750 O TYR A 49 -2.720 10.132 10.665 1.00 0.00 O ATOM 751 CB TYR A 49 -2.456 7.352 11.470 1.00 0.00 C ATOM 752 CG TYR A 49 -1.796 6.198 12.198 1.00 0.00 C ATOM 753 CD1 TYR A 49 -0.426 6.157 12.404 1.00 0.00 C ATOM 754 CD2 TYR A 49 -2.591 5.172 12.684 1.00 0.00 C ATOM 755 CE1 TYR A 49 0.147 5.103 13.090 1.00 0.00 C ATOM 756 CE2 TYR A 49 -2.021 4.120 13.374 1.00 0.00 C ATOM 757 CZ TYR A 49 -0.647 4.088 13.579 1.00 0.00 C ATOM 758 OH TYR A 49 -0.089 3.037 14.275 1.00 0.00 O ATOM 0 H TYR A 49 -4.354 7.614 13.208 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.701 8.878 12.806 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.417 7.033 11.065 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.840 7.657 10.625 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.198 6.954 12.026 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.659 5.195 12.523 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.216 5.075 13.243 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.643 3.323 13.754 1.00 0.00 H new ATOM 0 HH TYR A 49 0.862 3.216 14.431 1.00 0.00 H new ATOM 768 N GLU A 50 -4.368 10.293 12.210 1.00 0.00 N ATOM 769 CA GLU A 50 -5.043 11.392 11.523 1.00 0.00 C ATOM 770 C GLU A 50 -4.186 12.560 11.087 1.00 0.00 C ATOM 771 O GLU A 50 -3.546 13.230 11.902 1.00 0.00 O ATOM 772 CB GLU A 50 -6.146 11.974 12.406 1.00 0.00 C ATOM 773 CG GLU A 50 -6.840 13.169 11.759 1.00 0.00 C ATOM 774 CD GLU A 50 -7.995 13.719 12.552 1.00 0.00 C ATOM 775 OE1 GLU A 50 -8.427 13.070 13.475 1.00 0.00 O ATOM 776 OE2 GLU A 50 -8.452 14.790 12.229 1.00 0.00 O ATOM 0 H GLU A 50 -4.797 10.013 13.092 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.409 10.913 10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.884 11.200 12.618 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.720 12.279 13.362 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.107 13.962 11.609 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.199 12.875 10.773 1.00 0.00 H new ATOM 783 N GLY A 51 -4.205 12.808 9.778 1.00 0.00 N ATOM 784 CA GLY A 51 -3.485 13.928 9.189 1.00 0.00 C ATOM 785 C GLY A 51 -2.025 13.626 8.858 1.00 0.00 C ATOM 786 O GLY A 51 -1.344 14.464 8.265 1.00 0.00 O ATOM 0 H GLY A 51 -4.717 12.240 9.103 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.997 14.236 8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.523 14.773 9.877 1.00 0.00 H new ATOM 790 N GLU A 52 -1.532 12.450 9.241 1.00 0.00 N ATOM 791 CA GLU A 52 -0.147 12.090 8.987 1.00 0.00 C ATOM 792 C GLU A 52 0.075 11.768 7.529 1.00 0.00 C ATOM 793 O GLU A 52 -0.748 11.113 6.893 1.00 0.00 O ATOM 794 CB GLU A 52 0.271 10.907 9.860 1.00 0.00 C ATOM 795 CG GLU A 52 1.727 10.489 9.709 1.00 0.00 C ATOM 796 CD GLU A 52 2.107 9.408 10.678 1.00 0.00 C ATOM 797 OE1 GLU A 52 1.276 9.054 11.477 1.00 0.00 O ATOM 798 OE2 GLU A 52 3.221 8.941 10.633 1.00 0.00 O ATOM 0 H GLU A 52 -2.073 11.735 9.727 1.00 0.00 H new ATOM 0 HA GLU A 52 0.472 12.950 9.243 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.086 11.160 10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.364 10.054 9.621 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.900 10.140 8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.370 11.355 9.862 1.00 0.00 H new ATOM 805 N LYS A 53 1.161 12.287 6.970 1.00 0.00 N ATOM 806 CA LYS A 53 1.450 11.983 5.580 1.00 0.00 C ATOM 807 C LYS A 53 2.291 10.724 5.464 1.00 0.00 C ATOM 808 O LYS A 53 3.371 10.622 6.048 1.00 0.00 O ATOM 809 CB LYS A 53 2.171 13.125 4.873 1.00 0.00 C ATOM 810 CG LYS A 53 2.348 12.803 3.397 1.00 0.00 C ATOM 811 CD LYS A 53 3.008 13.903 2.585 1.00 0.00 C ATOM 812 CE LYS A 53 3.044 13.424 1.146 1.00 0.00 C ATOM 813 NZ LYS A 53 3.650 14.370 0.171 1.00 0.00 N ATOM 0 H LYS A 53 1.831 12.897 7.438 1.00 0.00 H new ATOM 0 HA LYS A 53 0.486 11.832 5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.602 14.048 4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.144 13.292 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.944 11.895 3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.370 12.588 2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.448 14.834 2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.015 14.103 2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.597 12.486 1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.024 13.206 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.551 13.988 -0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.165 15.288 0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.659 14.496 0.391 1.00 0.00 H new ATOM 827 N PHE A 54 1.780 9.773 4.700 1.00 0.00 N ATOM 828 CA PHE A 54 2.448 8.518 4.440 1.00 0.00 C ATOM 829 C PHE A 54 2.888 8.502 2.989 1.00 0.00 C ATOM 830 O PHE A 54 2.278 9.139 2.135 1.00 0.00 O ATOM 831 CB PHE A 54 1.463 7.378 4.663 1.00 0.00 C ATOM 832 CG PHE A 54 0.997 7.225 6.079 1.00 0.00 C ATOM 833 CD1 PHE A 54 -0.099 7.936 6.546 1.00 0.00 C ATOM 834 CD2 PHE A 54 1.646 6.364 6.944 1.00 0.00 C ATOM 835 CE1 PHE A 54 -0.525 7.799 7.850 1.00 0.00 C ATOM 836 CE2 PHE A 54 1.220 6.225 8.247 1.00 0.00 C ATOM 837 CZ PHE A 54 0.141 6.944 8.696 1.00 0.00 C ATOM 0 H PHE A 54 0.875 9.857 4.238 1.00 0.00 H new ATOM 0 HA PHE A 54 3.307 8.403 5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.595 7.535 4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.929 6.445 4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.625 8.605 5.880 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.495 5.795 6.595 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.377 8.360 8.205 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.735 5.550 8.915 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.187 6.838 9.720 1.00 0.00 H new ATOM 847 N GLN A 55 3.950 7.776 2.700 1.00 0.00 N ATOM 848 CA GLN A 55 4.410 7.647 1.333 1.00 0.00 C ATOM 849 C GLN A 55 4.880 6.229 1.123 1.00 0.00 C ATOM 850 O GLN A 55 5.775 5.780 1.832 1.00 0.00 O ATOM 851 CB GLN A 55 5.528 8.631 1.011 1.00 0.00 C ATOM 852 CG GLN A 55 5.964 8.559 -0.440 1.00 0.00 C ATOM 853 CD GLN A 55 6.975 9.625 -0.807 1.00 0.00 C ATOM 854 OE1 GLN A 55 8.172 9.532 -0.519 1.00 0.00 O ATOM 855 NE2 GLN A 55 6.471 10.671 -1.452 1.00 0.00 N ATOM 0 H GLN A 55 4.507 7.270 3.389 1.00 0.00 H new ATOM 0 HA GLN A 55 3.585 7.880 0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.193 9.643 1.237 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.384 8.427 1.655 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.393 7.576 -0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.089 8.659 -1.082 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.475 10.705 -1.669 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.080 11.440 -1.730 1.00 0.00 H new ATOM 864 N LEU A 56 4.248 5.524 0.190 1.00 0.00 N ATOM 865 CA LEU A 56 4.654 4.147 -0.052 1.00 0.00 C ATOM 866 C LEU A 56 4.964 3.862 -1.517 1.00 0.00 C ATOM 867 O LEU A 56 4.388 4.444 -2.437 1.00 0.00 O ATOM 868 CB LEU A 56 3.563 3.179 0.433 1.00 0.00 C ATOM 869 CG LEU A 56 3.291 3.142 1.948 1.00 0.00 C ATOM 870 CD1 LEU A 56 2.154 4.100 2.294 1.00 0.00 C ATOM 871 CD2 LEU A 56 2.964 1.716 2.355 1.00 0.00 C ATOM 0 H LEU A 56 3.482 5.867 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 56 5.575 3.996 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.632 3.435 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.834 2.173 0.112 1.00 0.00 H new ATOM 0 HG LEU A 56 4.174 3.466 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.966 4.069 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.431 5.113 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.252 3.802 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.770 1.679 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.081 1.377 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.807 1.067 2.117 1.00 0.00 H new ATOM 883 N LEU A 57 5.904 2.945 -1.717 1.00 0.00 N ATOM 884 CA LEU A 57 6.344 2.505 -3.031 1.00 0.00 C ATOM 885 C LEU A 57 5.769 1.145 -3.385 1.00 0.00 C ATOM 886 O LEU A 57 5.814 0.195 -2.599 1.00 0.00 O ATOM 887 CB LEU A 57 7.868 2.425 -3.106 1.00 0.00 C ATOM 888 CG LEU A 57 8.417 1.909 -4.443 1.00 0.00 C ATOM 889 CD1 LEU A 57 8.087 2.917 -5.533 1.00 0.00 C ATOM 890 CD2 LEU A 57 9.918 1.707 -4.328 1.00 0.00 C ATOM 0 H LEU A 57 6.391 2.478 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 57 5.981 3.245 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.280 3.416 -2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.224 1.775 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 57 7.960 0.953 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.473 2.560 -6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.006 3.038 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.545 3.876 -5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.310 1.340 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.395 2.655 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.128 0.980 -3.544 1.00 0.00 H new ATOM 902 N PHE A 58 5.176 1.072 -4.571 1.00 0.00 N ATOM 903 CA PHE A 58 4.605 -0.169 -5.045 1.00 0.00 C ATOM 904 C PHE A 58 5.373 -0.710 -6.245 1.00 0.00 C ATOM 905 O PHE A 58 5.570 -0.037 -7.265 1.00 0.00 O ATOM 906 CB PHE A 58 3.146 0.090 -5.349 1.00 0.00 C ATOM 907 CG PHE A 58 2.384 0.448 -4.107 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.414 1.748 -3.631 1.00 0.00 C ATOM 909 CD2 PHE A 58 1.640 -0.487 -3.411 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.736 2.098 -2.484 1.00 0.00 C ATOM 911 CE2 PHE A 58 0.955 -0.125 -2.266 1.00 0.00 C ATOM 912 CZ PHE A 58 1.002 1.166 -1.796 1.00 0.00 C ATOM 0 H PHE A 58 5.082 1.858 -5.215 1.00 0.00 H new ATOM 0 HA PHE A 58 4.681 -0.946 -4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.062 0.898 -6.075 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.705 -0.796 -5.806 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.977 2.498 -4.167 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.594 -1.507 -3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.783 3.115 -2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.376 -0.865 -1.734 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.469 1.442 -0.898 1.00 0.00 H new ATOM 922 N LYS A 59 5.807 -1.960 -6.105 1.00 0.00 N ATOM 923 CA LYS A 59 6.580 -2.605 -7.155 1.00 0.00 C ATOM 924 C LYS A 59 5.766 -3.688 -7.837 1.00 0.00 C ATOM 925 O LYS A 59 5.075 -4.482 -7.202 1.00 0.00 O ATOM 926 CB LYS A 59 7.867 -3.196 -6.586 1.00 0.00 C ATOM 927 CG LYS A 59 8.848 -2.183 -6.009 1.00 0.00 C ATOM 928 CD LYS A 59 10.093 -2.891 -5.494 1.00 0.00 C ATOM 929 CE LYS A 59 11.105 -1.925 -4.895 1.00 0.00 C ATOM 930 NZ LYS A 59 12.309 -2.642 -4.386 1.00 0.00 N ATOM 0 H LYS A 59 5.637 -2.539 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 59 6.838 -1.849 -7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.605 -3.910 -5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.370 -3.756 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.124 -1.457 -6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.375 -1.628 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.805 -3.624 -4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.559 -3.440 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.405 -1.197 -5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.641 -1.368 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.978 -1.955 -3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.024 -3.319 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.765 -3.153 -5.168 1.00 0.00 H new ATOM 944 N PHE A 60 5.872 -3.753 -9.153 1.00 0.00 N ATOM 945 CA PHE A 60 5.103 -4.736 -9.896 1.00 0.00 C ATOM 946 C PHE A 60 6.009 -5.664 -10.688 1.00 0.00 C ATOM 947 O PHE A 60 6.969 -5.211 -11.314 1.00 0.00 O ATOM 948 CB PHE A 60 4.180 -3.963 -10.833 1.00 0.00 C ATOM 949 CG PHE A 60 3.172 -3.131 -10.093 1.00 0.00 C ATOM 950 CD1 PHE A 60 3.488 -1.871 -9.603 1.00 0.00 C ATOM 951 CD2 PHE A 60 1.892 -3.604 -9.899 1.00 0.00 C ATOM 952 CE1 PHE A 60 2.552 -1.110 -8.929 1.00 0.00 C ATOM 953 CE2 PHE A 60 0.952 -2.848 -9.232 1.00 0.00 C ATOM 954 CZ PHE A 60 1.279 -1.599 -8.742 1.00 0.00 C ATOM 0 H PHE A 60 6.470 -3.151 -9.719 1.00 0.00 H new ATOM 0 HA PHE A 60 4.532 -5.364 -9.212 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.778 -3.317 -11.475 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.659 -4.665 -11.484 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.483 -1.479 -9.751 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.622 -4.580 -10.275 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.819 -0.134 -8.550 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.047 -3.235 -9.092 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.542 -1.011 -8.216 1.00 0.00 H new ATOM 964 N SER A 61 5.707 -6.960 -10.656 1.00 0.00 N ATOM 965 CA SER A 61 6.491 -7.914 -11.426 1.00 0.00 C ATOM 966 C SER A 61 5.782 -8.053 -12.743 1.00 0.00 C ATOM 967 O SER A 61 4.612 -7.686 -12.846 1.00 0.00 O ATOM 968 CB SER A 61 6.554 -9.295 -10.824 1.00 0.00 C ATOM 969 OG SER A 61 5.315 -9.921 -11.005 1.00 0.00 O ATOM 0 H SER A 61 4.942 -7.365 -10.117 1.00 0.00 H new ATOM 0 HA SER A 61 7.514 -7.541 -11.481 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.344 -9.878 -11.297 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.795 -9.234 -9.763 1.00 0.00 H new ATOM 0 HG SER A 61 5.271 -10.727 -10.449 1.00 0.00 H new ATOM 975 N SER A 62 6.439 -8.678 -13.710 1.00 0.00 N ATOM 976 CA SER A 62 5.869 -8.857 -15.037 1.00 0.00 C ATOM 977 C SER A 62 4.664 -9.798 -15.074 1.00 0.00 C ATOM 978 O SER A 62 3.981 -9.858 -16.097 1.00 0.00 O ATOM 979 CB SER A 62 6.929 -9.377 -15.987 1.00 0.00 C ATOM 980 OG SER A 62 7.318 -10.679 -15.646 1.00 0.00 O ATOM 0 H SER A 62 7.373 -9.072 -13.598 1.00 0.00 H new ATOM 0 HA SER A 62 5.512 -7.874 -15.344 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.545 -9.364 -17.007 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.797 -8.717 -15.965 1.00 0.00 H new ATOM 0 HG SER A 62 8.001 -10.992 -16.275 1.00 0.00 H new ATOM 986 N ARG A 63 4.391 -10.545 -13.998 1.00 0.00 N ATOM 987 CA ARG A 63 3.231 -11.417 -14.035 1.00 0.00 C ATOM 988 C ARG A 63 1.970 -10.762 -13.474 1.00 0.00 C ATOM 989 O ARG A 63 0.918 -11.391 -13.568 1.00 0.00 O ATOM 990 CB ARG A 63 3.459 -12.723 -13.285 1.00 0.00 C ATOM 991 CG ARG A 63 4.441 -13.712 -13.896 1.00 0.00 C ATOM 992 CD ARG A 63 4.328 -15.045 -13.235 1.00 0.00 C ATOM 993 NE ARG A 63 4.750 -15.039 -11.845 1.00 0.00 N ATOM 994 CZ ARG A 63 5.989 -15.299 -11.392 1.00 0.00 C ATOM 995 NH1 ARG A 63 6.966 -15.620 -12.210 1.00 0.00 N ATOM 996 NH2 ARG A 63 6.180 -15.219 -10.090 1.00 0.00 N ATOM 0 H ARG A 63 4.933 -10.561 -13.134 1.00 0.00 H new ATOM 0 HA ARG A 63 3.083 -11.623 -15.095 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.805 -12.480 -12.280 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.497 -13.224 -13.178 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.246 -13.812 -14.964 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.458 -13.334 -13.791 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.293 -15.383 -13.291 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.930 -15.768 -13.786 1.00 0.00 H new ATOM 0 HE ARG A 63 4.040 -14.817 -11.147 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.793 -15.676 -13.214 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.897 -15.813 -11.841 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.405 -14.969 -9.475 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.102 -15.407 -9.697 1.00 0.00 H new ATOM 1010 N TYR A 64 2.058 -9.544 -12.917 1.00 0.00 N ATOM 1011 CA TYR A 64 0.890 -8.834 -12.385 1.00 0.00 C ATOM 1012 C TYR A 64 -0.225 -8.794 -13.446 1.00 0.00 C ATOM 1013 O TYR A 64 0.042 -8.483 -14.611 1.00 0.00 O ATOM 1014 CB TYR A 64 1.284 -7.411 -11.935 1.00 0.00 C ATOM 1015 CG TYR A 64 0.122 -6.585 -11.429 1.00 0.00 C ATOM 1016 CD1 TYR A 64 -0.304 -6.675 -10.109 1.00 0.00 C ATOM 1017 CD2 TYR A 64 -0.540 -5.754 -12.322 1.00 0.00 C ATOM 1018 CE1 TYR A 64 -1.399 -5.944 -9.694 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -1.633 -5.023 -11.904 1.00 0.00 C ATOM 1020 CZ TYR A 64 -2.065 -5.122 -10.599 1.00 0.00 C ATOM 1021 OH TYR A 64 -3.165 -4.414 -10.174 1.00 0.00 O ATOM 0 H TYR A 64 2.934 -9.029 -12.824 1.00 0.00 H new ATOM 0 HA TYR A 64 0.514 -9.367 -11.512 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.035 -7.484 -11.148 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.749 -6.891 -12.773 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.219 -7.313 -9.412 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.200 -5.680 -13.344 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.738 -6.010 -8.671 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.149 -4.375 -12.597 1.00 0.00 H new ATOM 0 HH TYR A 64 -3.373 -3.711 -10.825 1.00 0.00 H new ATOM 1031 N PRO A 65 -1.480 -9.070 -13.066 1.00 0.00 N ATOM 1032 CA PRO A 65 -2.007 -9.352 -11.742 1.00 0.00 C ATOM 1033 C PRO A 65 -2.042 -10.780 -11.241 1.00 0.00 C ATOM 1034 O PRO A 65 -2.883 -11.108 -10.410 1.00 0.00 O ATOM 1035 CB PRO A 65 -3.423 -8.798 -11.918 1.00 0.00 C ATOM 1036 CG PRO A 65 -3.763 -9.095 -13.350 1.00 0.00 C ATOM 1037 CD PRO A 65 -2.475 -8.882 -14.122 1.00 0.00 C ATOM 0 HA PRO A 65 -1.361 -8.925 -10.975 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.125 -9.277 -11.235 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.459 -7.728 -11.714 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.125 -10.117 -13.464 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.552 -8.435 -13.712 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.357 -9.601 -14.932 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.421 -7.888 -14.567 1.00 0.00 H new ATOM 1045 N PHE A 66 -1.188 -11.647 -11.759 1.00 0.00 N ATOM 1046 CA PHE A 66 -1.065 -12.981 -11.195 1.00 0.00 C ATOM 1047 C PHE A 66 -0.348 -12.801 -9.861 1.00 0.00 C ATOM 1048 O PHE A 66 -0.795 -13.282 -8.819 1.00 0.00 O ATOM 1049 CB PHE A 66 -0.277 -13.904 -12.118 1.00 0.00 C ATOM 1050 CG PHE A 66 -0.063 -15.285 -11.581 1.00 0.00 C ATOM 1051 CD1 PHE A 66 -1.075 -16.232 -11.605 1.00 0.00 C ATOM 1052 CD2 PHE A 66 1.167 -15.635 -11.048 1.00 0.00 C ATOM 1053 CE1 PHE A 66 -0.858 -17.503 -11.104 1.00 0.00 C ATOM 1054 CE2 PHE A 66 1.388 -16.902 -10.549 1.00 0.00 C ATOM 1055 CZ PHE A 66 0.372 -17.837 -10.577 1.00 0.00 C ATOM 0 H PHE A 66 -0.579 -11.457 -12.555 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.042 -13.447 -11.066 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.800 -13.976 -13.072 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.694 -13.452 -12.320 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.040 -15.976 -12.018 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.964 -14.906 -11.023 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.652 -18.234 -11.126 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.352 -17.162 -10.138 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.541 -18.830 -10.186 1.00 0.00 H new ATOM 1065 N ASP A 67 0.802 -12.130 -9.927 1.00 0.00 N ATOM 1066 CA ASP A 67 1.591 -11.794 -8.750 1.00 0.00 C ATOM 1067 C ASP A 67 1.063 -10.575 -8.011 1.00 0.00 C ATOM 1068 O ASP A 67 0.542 -9.642 -8.624 1.00 0.00 O ATOM 1069 CB ASP A 67 3.047 -11.495 -9.099 1.00 0.00 C ATOM 1070 CG ASP A 67 3.913 -12.667 -9.531 1.00 0.00 C ATOM 1071 OD1 ASP A 67 3.583 -13.816 -9.356 1.00 0.00 O ATOM 1072 OD2 ASP A 67 4.963 -12.382 -10.058 1.00 0.00 O ATOM 0 H ASP A 67 1.211 -11.805 -10.803 1.00 0.00 H new ATOM 0 HA ASP A 67 1.517 -12.677 -8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.057 -10.755 -9.899 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.514 -11.032 -8.230 1.00 0.00 H new ATOM 1077 N SER A 68 1.215 -10.598 -6.692 1.00 0.00 N ATOM 1078 CA SER A 68 0.852 -9.481 -5.835 1.00 0.00 C ATOM 1079 C SER A 68 1.892 -8.371 -5.949 1.00 0.00 C ATOM 1080 O SER A 68 3.082 -8.682 -6.050 1.00 0.00 O ATOM 1081 CB SER A 68 0.778 -9.905 -4.381 1.00 0.00 C ATOM 1082 OG SER A 68 0.533 -8.793 -3.562 1.00 0.00 O ATOM 0 H SER A 68 1.596 -11.398 -6.186 1.00 0.00 H new ATOM 0 HA SER A 68 -0.126 -9.126 -6.161 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.013 -10.643 -4.250 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.712 -10.383 -4.087 1.00 0.00 H new ATOM 0 HG SER A 68 0.575 -9.064 -2.621 1.00 0.00 H new ATOM 1088 N PRO A 69 1.498 -7.095 -5.943 1.00 0.00 N ATOM 1089 CA PRO A 69 2.423 -5.993 -5.968 1.00 0.00 C ATOM 1090 C PRO A 69 3.130 -5.916 -4.626 1.00 0.00 C ATOM 1091 O PRO A 69 2.556 -6.268 -3.595 1.00 0.00 O ATOM 1092 CB PRO A 69 1.490 -4.816 -6.248 1.00 0.00 C ATOM 1093 CG PRO A 69 0.142 -5.257 -5.738 1.00 0.00 C ATOM 1094 CD PRO A 69 0.074 -6.750 -6.002 1.00 0.00 C ATOM 0 HA PRO A 69 3.228 -6.049 -6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.829 -3.914 -5.739 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.453 -4.586 -7.313 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.036 -5.042 -4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.663 -4.731 -6.252 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.512 -7.278 -5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.369 -6.980 -6.971 1.00 0.00 H new ATOM 1102 N GLN A 70 4.362 -5.432 -4.625 1.00 0.00 N ATOM 1103 CA GLN A 70 5.106 -5.413 -3.381 1.00 0.00 C ATOM 1104 C GLN A 70 4.932 -4.053 -2.755 1.00 0.00 C ATOM 1105 O GLN A 70 4.946 -3.034 -3.442 1.00 0.00 O ATOM 1106 CB GLN A 70 6.564 -5.756 -3.645 1.00 0.00 C ATOM 1107 CG GLN A 70 6.688 -7.106 -4.330 1.00 0.00 C ATOM 1108 CD GLN A 70 6.203 -8.241 -3.449 1.00 0.00 C ATOM 1109 OE1 GLN A 70 6.777 -8.477 -2.382 1.00 0.00 O ATOM 1110 NE2 GLN A 70 5.149 -8.941 -3.861 1.00 0.00 N ATOM 0 H GLN A 70 4.851 -5.061 -5.439 1.00 0.00 H new ATOM 0 HA GLN A 70 4.733 -6.163 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.016 -4.985 -4.268 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.115 -5.769 -2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.113 -7.096 -5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.729 -7.279 -4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.702 -8.715 -4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.788 -9.704 -3.288 1.00 0.00 H new ATOM 1119 N VAL A 71 4.813 -4.036 -1.435 1.00 0.00 N ATOM 1120 CA VAL A 71 4.534 -2.788 -0.745 1.00 0.00 C ATOM 1121 C VAL A 71 5.617 -2.390 0.247 1.00 0.00 C ATOM 1122 O VAL A 71 5.968 -3.178 1.128 1.00 0.00 O ATOM 1123 CB VAL A 71 3.213 -2.911 0.032 1.00 0.00 C ATOM 1124 CG1 VAL A 71 2.953 -1.591 0.727 1.00 0.00 C ATOM 1125 CG2 VAL A 71 2.083 -3.337 -0.895 1.00 0.00 C ATOM 0 H VAL A 71 4.903 -4.854 -0.832 1.00 0.00 H new ATOM 0 HA VAL A 71 4.484 -2.021 -1.518 1.00 0.00 H new ATOM 0 HB VAL A 71 3.276 -3.690 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.020 -1.652 1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.773 -1.373 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.879 -0.797 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.157 -3.418 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.960 -2.595 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.322 -4.303 -1.340 1.00 0.00 H new ATOM 1135 N MET A 72 6.147 -1.177 0.115 1.00 0.00 N ATOM 1136 CA MET A 72 7.136 -0.738 1.087 1.00 0.00 C ATOM 1137 C MET A 72 7.133 0.766 1.307 1.00 0.00 C ATOM 1138 O MET A 72 7.210 1.548 0.362 1.00 0.00 O ATOM 1139 CB MET A 72 8.520 -1.196 0.646 1.00 0.00 C ATOM 1140 CG MET A 72 9.637 -0.820 1.604 1.00 0.00 C ATOM 1141 SD MET A 72 11.245 -1.433 1.073 1.00 0.00 S ATOM 1142 CE MET A 72 11.031 -3.171 1.449 1.00 0.00 C ATOM 0 H MET A 72 5.920 -0.509 -0.621 1.00 0.00 H new ATOM 0 HA MET A 72 6.870 -1.192 2.041 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.510 -2.279 0.525 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.737 -0.768 -0.333 1.00 0.00 H new ATOM 0 HG2 MET A 72 9.679 0.265 1.698 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.410 -1.217 2.594 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.003 -3.664 1.457 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.563 -3.277 2.428 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.397 -3.632 0.692 1.00 0.00 H new ATOM 1152 N PHE A 73 7.055 1.156 2.575 1.00 0.00 N ATOM 1153 CA PHE A 73 7.040 2.560 2.962 1.00 0.00 C ATOM 1154 C PHE A 73 8.343 3.241 2.559 1.00 0.00 C ATOM 1155 O PHE A 73 9.429 2.728 2.834 1.00 0.00 O ATOM 1156 CB PHE A 73 6.901 2.713 4.479 1.00 0.00 C ATOM 1157 CG PHE A 73 6.717 4.143 4.908 1.00 0.00 C ATOM 1158 CD1 PHE A 73 5.441 4.677 5.001 1.00 0.00 C ATOM 1159 CD2 PHE A 73 7.797 4.967 5.187 1.00 0.00 C ATOM 1160 CE1 PHE A 73 5.260 5.991 5.376 1.00 0.00 C ATOM 1161 CE2 PHE A 73 7.618 6.284 5.557 1.00 0.00 C ATOM 1162 CZ PHE A 73 6.342 6.798 5.652 1.00 0.00 C ATOM 0 H PHE A 73 7.001 0.508 3.361 1.00 0.00 H new ATOM 0 HA PHE A 73 6.190 3.018 2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.051 2.124 4.822 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.788 2.305 4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.583 4.060 4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.799 4.570 5.113 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.260 6.392 5.454 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.472 6.909 5.771 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.192 7.828 5.941 1.00 0.00 H new ATOM 1172 N THR A 74 8.228 4.397 1.914 1.00 0.00 N ATOM 1173 CA THR A 74 9.384 5.177 1.488 1.00 0.00 C ATOM 1174 C THR A 74 9.512 6.485 2.260 1.00 0.00 C ATOM 1175 O THR A 74 8.600 7.310 2.281 1.00 0.00 O ATOM 1176 CB THR A 74 9.315 5.497 -0.018 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.325 4.275 -0.764 1.00 0.00 O ATOM 1178 CG2 THR A 74 10.491 6.364 -0.441 1.00 0.00 C ATOM 0 H THR A 74 7.332 4.819 1.672 1.00 0.00 H new ATOM 0 HA THR A 74 10.259 4.561 1.695 1.00 0.00 H new ATOM 0 HB THR A 74 8.394 6.045 -0.217 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.747 4.427 -1.635 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.421 6.577 -1.508 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.473 7.300 0.118 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.423 5.838 -0.237 1.00 0.00 H new ATOM 1186 N GLY A 75 10.669 6.688 2.879 1.00 0.00 N ATOM 1187 CA GLY A 75 10.901 7.915 3.631 1.00 0.00 C ATOM 1188 C GLY A 75 11.898 7.735 4.767 1.00 0.00 C ATOM 1189 O GLY A 75 12.230 6.614 5.155 1.00 0.00 O ATOM 0 H GLY A 75 11.449 6.031 2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.266 8.687 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.954 8.270 4.038 1.00 0.00 H new ATOM 1193 N GLU A 76 12.367 8.866 5.290 1.00 0.00 N ATOM 1194 CA GLU A 76 13.333 8.941 6.387 1.00 0.00 C ATOM 1195 C GLU A 76 12.801 8.563 7.773 1.00 0.00 C ATOM 1196 O GLU A 76 13.584 8.427 8.714 1.00 0.00 O ATOM 1197 CB GLU A 76 13.898 10.361 6.460 1.00 0.00 C ATOM 1198 CG GLU A 76 12.897 11.422 6.901 1.00 0.00 C ATOM 1199 CD GLU A 76 12.066 11.956 5.767 1.00 0.00 C ATOM 1200 OE1 GLU A 76 12.000 11.311 4.748 1.00 0.00 O ATOM 1201 OE2 GLU A 76 11.498 13.011 5.919 1.00 0.00 O ATOM 0 H GLU A 76 12.077 9.784 4.953 1.00 0.00 H new ATOM 0 HA GLU A 76 14.089 8.194 6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.741 10.367 7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.287 10.634 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.238 10.998 7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.434 12.247 7.370 1.00 0.00 H new ATOM 1208 N ASN A 77 11.489 8.403 7.911 1.00 0.00 N ATOM 1209 CA ASN A 77 10.898 8.076 9.200 1.00 0.00 C ATOM 1210 C ASN A 77 9.655 7.216 9.028 1.00 0.00 C ATOM 1211 O ASN A 77 8.582 7.721 8.702 1.00 0.00 O ATOM 1212 CB ASN A 77 10.581 9.351 9.959 1.00 0.00 C ATOM 1213 CG ASN A 77 10.078 9.111 11.355 1.00 0.00 C ATOM 1214 OD1 ASN A 77 9.788 7.975 11.747 1.00 0.00 O ATOM 1215 ND2 ASN A 77 9.969 10.168 12.119 1.00 0.00 N ATOM 0 H ASN A 77 10.818 8.494 7.148 1.00 0.00 H new ATOM 0 HA ASN A 77 11.617 7.496 9.779 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.478 9.968 10.006 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.833 9.918 9.405 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.634 10.072 13.078 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.219 11.088 11.756 1.00 0.00 H new ATOM 1222 N ILE A 78 9.825 5.915 9.249 1.00 0.00 N ATOM 1223 CA ILE A 78 8.750 4.939 9.131 1.00 0.00 C ATOM 1224 C ILE A 78 7.837 4.951 10.368 1.00 0.00 C ATOM 1225 O ILE A 78 8.342 4.810 11.482 1.00 0.00 O ATOM 1226 CB ILE A 78 9.329 3.531 8.939 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.118 3.484 7.635 1.00 0.00 C ATOM 1228 CG2 ILE A 78 8.211 2.505 8.906 1.00 0.00 C ATOM 1229 CD1 ILE A 78 10.933 2.235 7.476 1.00 0.00 C ATOM 0 H ILE A 78 10.721 5.507 9.517 1.00 0.00 H new ATOM 0 HA ILE A 78 8.153 5.213 8.261 1.00 0.00 H new ATOM 0 HB ILE A 78 9.991 3.297 9.773 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.426 3.566 6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.780 4.349 7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.634 1.510 8.769 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.659 2.538 9.845 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.536 2.729 8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.468 2.268 6.527 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.649 2.161 8.294 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.275 1.367 7.491 1.00 0.00 H new ATOM 1241 N PRO A 79 6.519 5.129 10.207 1.00 0.00 N ATOM 1242 CA PRO A 79 5.518 5.142 11.261 1.00 0.00 C ATOM 1243 C PRO A 79 5.438 3.898 12.137 1.00 0.00 C ATOM 1244 O PRO A 79 5.624 2.773 11.670 1.00 0.00 O ATOM 1245 CB PRO A 79 4.234 5.307 10.437 1.00 0.00 C ATOM 1246 CG PRO A 79 4.672 5.998 9.180 1.00 0.00 C ATOM 1247 CD PRO A 79 6.036 5.469 8.870 1.00 0.00 C ATOM 0 HA PRO A 79 5.734 5.914 12.000 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.777 4.342 10.219 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.492 5.897 10.975 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.980 5.795 8.362 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.695 7.079 9.317 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.001 4.601 8.212 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.665 6.214 8.382 1.00 0.00 H new ATOM 1255 N VAL A 80 5.133 4.123 13.413 1.00 0.00 N ATOM 1256 CA VAL A 80 4.983 3.048 14.386 1.00 0.00 C ATOM 1257 C VAL A 80 3.591 2.437 14.300 1.00 0.00 C ATOM 1258 O VAL A 80 2.586 3.141 14.424 1.00 0.00 O ATOM 1259 CB VAL A 80 5.237 3.558 15.816 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.993 2.433 16.812 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.667 4.067 15.919 1.00 0.00 C ATOM 0 H VAL A 80 4.983 5.055 13.799 1.00 0.00 H new ATOM 0 HA VAL A 80 5.723 2.283 14.151 1.00 0.00 H new ATOM 0 HB VAL A 80 4.554 4.376 16.046 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.174 2.797 17.823 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.962 2.090 16.728 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.669 1.605 16.598 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.852 4.430 16.930 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.359 3.256 15.692 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.816 4.881 15.209 1.00 0.00 H new ATOM 1271 N HIS A 81 3.566 1.127 14.090 1.00 0.00 N ATOM 1272 CA HIS A 81 2.346 0.345 13.947 1.00 0.00 C ATOM 1273 C HIS A 81 2.673 -1.145 14.102 1.00 0.00 C ATOM 1274 O HIS A 81 3.724 -1.566 13.622 1.00 0.00 O ATOM 1275 CB HIS A 81 1.731 0.598 12.570 1.00 0.00 C ATOM 1276 CG HIS A 81 0.391 -0.019 12.334 1.00 0.00 C ATOM 1277 ND1 HIS A 81 0.228 -1.370 12.123 1.00 0.00 N ATOM 1278 CD2 HIS A 81 -0.844 0.522 12.258 1.00 0.00 C ATOM 1279 CE1 HIS A 81 -1.053 -1.626 11.935 1.00 0.00 C ATOM 1280 NE2 HIS A 81 -1.723 -0.495 12.002 1.00 0.00 N ATOM 0 H HIS A 81 4.414 0.566 14.013 1.00 0.00 H new ATOM 0 HA HIS A 81 1.633 0.641 14.717 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.645 1.675 12.423 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.420 0.227 11.811 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.092 1.566 12.377 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.481 -2.601 11.756 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -2.731 -0.393 11.883 1.00 0.00 H new ATOM 1288 N PRO A 82 1.833 -1.970 14.746 1.00 0.00 N ATOM 1289 CA PRO A 82 2.044 -3.405 14.885 1.00 0.00 C ATOM 1290 C PRO A 82 2.335 -4.175 13.592 1.00 0.00 C ATOM 1291 O PRO A 82 3.024 -5.196 13.628 1.00 0.00 O ATOM 1292 CB PRO A 82 0.708 -3.817 15.511 1.00 0.00 C ATOM 1293 CG PRO A 82 0.281 -2.615 16.308 1.00 0.00 C ATOM 1294 CD PRO A 82 0.714 -1.406 15.516 1.00 0.00 C ATOM 0 HA PRO A 82 2.941 -3.636 15.460 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.028 -4.069 14.747 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.821 -4.695 16.147 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.798 -2.613 16.461 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.743 -2.619 17.295 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.080 -1.026 14.873 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.027 -0.582 16.157 1.00 0.00 H new ATOM 1302 N HIS A 83 1.807 -3.711 12.461 1.00 0.00 N ATOM 1303 CA HIS A 83 2.034 -4.348 11.173 1.00 0.00 C ATOM 1304 C HIS A 83 3.038 -3.608 10.295 1.00 0.00 C ATOM 1305 O HIS A 83 3.136 -3.878 9.100 1.00 0.00 O ATOM 1306 CB HIS A 83 0.722 -4.465 10.399 1.00 0.00 C ATOM 1307 CG HIS A 83 -0.289 -5.373 11.019 1.00 0.00 C ATOM 1308 ND1 HIS A 83 -1.637 -5.280 10.741 1.00 0.00 N ATOM 1309 CD2 HIS A 83 -0.154 -6.401 11.887 1.00 0.00 C ATOM 1310 CE1 HIS A 83 -2.287 -6.211 11.415 1.00 0.00 C ATOM 1311 NE2 HIS A 83 -1.410 -6.905 12.115 1.00 0.00 N ATOM 0 H HIS A 83 1.211 -2.884 12.416 1.00 0.00 H new ATOM 0 HA HIS A 83 2.448 -5.330 11.401 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.285 -3.471 10.299 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.940 -4.820 9.392 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.769 -6.758 12.320 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.354 -6.376 11.396 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.630 -7.690 12.728 1.00 0.00 H new ATOM 1319 N VAL A 84 3.797 -2.664 10.838 1.00 0.00 N ATOM 1320 CA VAL A 84 4.769 -1.996 9.981 1.00 0.00 C ATOM 1321 C VAL A 84 6.184 -2.251 10.480 1.00 0.00 C ATOM 1322 O VAL A 84 6.523 -1.982 11.633 1.00 0.00 O ATOM 1323 CB VAL A 84 4.483 -0.487 9.881 1.00 0.00 C ATOM 1324 CG1 VAL A 84 5.544 0.179 9.019 1.00 0.00 C ATOM 1325 CG2 VAL A 84 3.113 -0.275 9.250 1.00 0.00 C ATOM 0 H VAL A 84 3.766 -2.356 11.810 1.00 0.00 H new ATOM 0 HA VAL A 84 4.678 -2.414 8.978 1.00 0.00 H new ATOM 0 HB VAL A 84 4.500 -0.048 10.879 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.339 1.247 8.950 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.526 0.026 9.467 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.529 -0.258 8.021 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.907 0.793 9.178 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.099 -0.716 8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.351 -0.750 9.867 1.00 0.00 H new ATOM 1335 N TYR A 85 7.007 -2.777 9.583 1.00 0.00 N ATOM 1336 CA TYR A 85 8.392 -3.101 9.878 1.00 0.00 C ATOM 1337 C TYR A 85 9.342 -1.947 9.640 1.00 0.00 C ATOM 1338 O TYR A 85 9.042 -1.013 8.898 1.00 0.00 O ATOM 1339 CB TYR A 85 8.857 -4.281 9.033 1.00 0.00 C ATOM 1340 CG TYR A 85 8.298 -5.635 9.407 1.00 0.00 C ATOM 1341 CD1 TYR A 85 8.988 -6.402 10.334 1.00 0.00 C ATOM 1342 CD2 TYR A 85 7.136 -6.129 8.836 1.00 0.00 C ATOM 1343 CE1 TYR A 85 8.524 -7.653 10.690 1.00 0.00 C ATOM 1344 CE2 TYR A 85 6.675 -7.381 9.187 1.00 0.00 C ATOM 1345 CZ TYR A 85 7.370 -8.143 10.117 1.00 0.00 C ATOM 1346 OH TYR A 85 6.905 -9.390 10.464 1.00 0.00 O ATOM 0 H TYR A 85 6.729 -2.991 8.625 1.00 0.00 H new ATOM 0 HA TYR A 85 8.416 -3.346 10.940 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.599 -4.080 7.993 1.00 0.00 H new ATOM 0 HB3 TYR A 85 9.944 -4.333 9.087 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.894 -6.019 10.780 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.592 -5.535 8.117 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.063 -8.245 11.415 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.773 -7.769 8.738 1.00 0.00 H new ATOM 0 HH TYR A 85 6.081 -9.581 9.969 1.00 0.00 H new ATOM 1356 N SER A 86 10.512 -2.042 10.272 1.00 0.00 N ATOM 1357 CA SER A 86 11.578 -1.047 10.172 1.00 0.00 C ATOM 1358 C SER A 86 12.180 -0.957 8.771 1.00 0.00 C ATOM 1359 O SER A 86 12.907 -0.011 8.470 1.00 0.00 O ATOM 1360 CB SER A 86 12.679 -1.370 11.161 1.00 0.00 C ATOM 1361 OG SER A 86 13.335 -2.557 10.806 1.00 0.00 O ATOM 0 H SER A 86 10.749 -2.827 10.879 1.00 0.00 H new ATOM 0 HA SER A 86 11.125 -0.082 10.398 1.00 0.00 H new ATOM 0 HB2 SER A 86 13.396 -0.549 11.195 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.258 -1.467 12.162 1.00 0.00 H new ATOM 0 HG SER A 86 14.043 -2.746 11.456 1.00 0.00 H new ATOM 1367 N ASN A 87 11.934 -1.963 7.934 1.00 0.00 N ATOM 1368 CA ASN A 87 12.356 -1.924 6.545 1.00 0.00 C ATOM 1369 C ASN A 87 11.231 -1.456 5.616 1.00 0.00 C ATOM 1370 O ASN A 87 11.381 -1.530 4.398 1.00 0.00 O ATOM 1371 CB ASN A 87 12.857 -3.289 6.123 1.00 0.00 C ATOM 1372 CG ASN A 87 11.771 -4.326 6.129 1.00 0.00 C ATOM 1373 OD1 ASN A 87 10.589 -4.021 6.329 1.00 0.00 O ATOM 1374 ND2 ASN A 87 12.153 -5.559 5.915 1.00 0.00 N ATOM 0 H ASN A 87 11.442 -2.816 8.200 1.00 0.00 H new ATOM 0 HA ASN A 87 13.165 -1.198 6.462 1.00 0.00 H new ATOM 0 HB2 ASN A 87 13.286 -3.222 5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.658 -3.602 6.793 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.465 -6.312 5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.139 -5.767 5.754 1.00 0.00 H new ATOM 1381 N GLY A 88 10.112 -0.982 6.173 1.00 0.00 N ATOM 1382 CA GLY A 88 8.986 -0.476 5.398 1.00 0.00 C ATOM 1383 C GLY A 88 7.916 -1.515 5.045 1.00 0.00 C ATOM 1384 O GLY A 88 6.904 -1.160 4.439 1.00 0.00 O ATOM 0 H GLY A 88 9.966 -0.940 7.182 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.514 0.332 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.368 -0.043 4.473 1.00 0.00 H new ATOM 1388 N HIS A 89 8.133 -2.786 5.382 1.00 0.00 N ATOM 1389 CA HIS A 89 7.177 -3.843 5.056 1.00 0.00 C ATOM 1390 C HIS A 89 5.833 -3.762 5.782 1.00 0.00 C ATOM 1391 O HIS A 89 5.746 -3.490 6.980 1.00 0.00 O ATOM 1392 CB HIS A 89 7.829 -5.204 5.322 1.00 0.00 C ATOM 1393 CG HIS A 89 7.021 -6.397 4.919 1.00 0.00 C ATOM 1394 ND1 HIS A 89 5.971 -6.878 5.674 1.00 0.00 N ATOM 1395 CD2 HIS A 89 7.110 -7.207 3.840 1.00 0.00 C ATOM 1396 CE1 HIS A 89 5.451 -7.935 5.075 1.00 0.00 C ATOM 1397 NE2 HIS A 89 6.124 -8.155 3.961 1.00 0.00 N ATOM 0 H HIS A 89 8.962 -3.108 5.881 1.00 0.00 H new ATOM 0 HA HIS A 89 6.934 -3.707 4.002 1.00 0.00 H new ATOM 0 HB2 HIS A 89 8.783 -5.239 4.796 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.049 -5.279 6.387 1.00 0.00 H new ATOM 0 HD2 HIS A 89 7.823 -7.124 3.033 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.617 -8.519 5.436 1.00 0.00 H new ATOM 0 HE2 HIS A 89 5.941 -8.908 3.297 1.00 0.00 H new ATOM 1405 N ILE A 90 4.766 -3.987 5.014 1.00 0.00 N ATOM 1406 CA ILE A 90 3.391 -3.980 5.515 1.00 0.00 C ATOM 1407 C ILE A 90 2.883 -5.401 5.776 1.00 0.00 C ATOM 1408 O ILE A 90 2.591 -6.151 4.841 1.00 0.00 O ATOM 1409 CB ILE A 90 2.467 -3.268 4.510 1.00 0.00 C ATOM 1410 CG1 ILE A 90 3.005 -1.865 4.207 1.00 0.00 C ATOM 1411 CG2 ILE A 90 1.056 -3.206 5.051 1.00 0.00 C ATOM 1412 CD1 ILE A 90 3.152 -0.975 5.415 1.00 0.00 C ATOM 0 H ILE A 90 4.833 -4.181 4.015 1.00 0.00 H new ATOM 0 HA ILE A 90 3.382 -3.440 6.462 1.00 0.00 H new ATOM 0 HB ILE A 90 2.446 -3.834 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.976 -1.960 3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.338 -1.380 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.412 -2.700 4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.687 -4.217 5.220 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.051 -2.656 5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.538 -0.004 5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.180 -0.845 5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.844 -1.433 6.122 1.00 0.00 H new ATOM 1424 N CYS A 91 2.708 -5.759 7.049 1.00 0.00 N ATOM 1425 CA CYS A 91 2.337 -7.113 7.462 1.00 0.00 C ATOM 1426 C CYS A 91 0.861 -7.473 7.365 1.00 0.00 C ATOM 1427 O CYS A 91 0.192 -7.682 8.378 1.00 0.00 O ATOM 1428 CB CYS A 91 2.764 -7.344 8.909 1.00 0.00 C ATOM 1429 SG CYS A 91 2.453 -9.015 9.525 1.00 0.00 S ATOM 0 H CYS A 91 2.821 -5.111 7.829 1.00 0.00 H new ATOM 0 HA CYS A 91 2.855 -7.752 6.747 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.829 -7.130 8.999 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.241 -6.632 9.547 1.00 0.00 H new ATOM 0 HG CYS A 91 1.211 -9.332 9.311 1.00 0.00 H new ATOM 1435 N LEU A 92 0.364 -7.538 6.139 1.00 0.00 N ATOM 1436 CA LEU A 92 -1.011 -7.941 5.885 1.00 0.00 C ATOM 1437 C LEU A 92 -1.002 -9.228 5.070 1.00 0.00 C ATOM 1438 O LEU A 92 -0.393 -9.278 4.001 1.00 0.00 O ATOM 1439 CB LEU A 92 -1.764 -6.826 5.159 1.00 0.00 C ATOM 1440 CG LEU A 92 -1.900 -5.501 5.911 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -2.552 -4.462 5.002 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -2.738 -5.749 7.154 1.00 0.00 C ATOM 0 H LEU A 92 0.897 -7.315 5.299 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.528 -8.123 6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.260 -6.632 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.764 -7.188 4.919 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.923 -5.118 6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.648 -3.518 5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.934 -4.314 4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.540 -4.811 4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.850 -4.818 7.709 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.721 -6.118 6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.245 -6.489 7.784 1.00 0.00 H new ATOM 1454 N SER A 93 -1.711 -10.261 5.543 1.00 0.00 N ATOM 1455 CA SER A 93 -1.692 -11.554 4.850 1.00 0.00 C ATOM 1456 C SER A 93 -2.370 -11.467 3.492 1.00 0.00 C ATOM 1457 O SER A 93 -1.986 -12.189 2.572 1.00 0.00 O ATOM 1458 CB SER A 93 -2.352 -12.624 5.710 1.00 0.00 C ATOM 1459 OG SER A 93 -3.742 -12.470 5.821 1.00 0.00 O ATOM 0 H SER A 93 -2.291 -10.230 6.381 1.00 0.00 H new ATOM 0 HA SER A 93 -0.651 -11.829 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.135 -13.605 5.287 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.911 -12.602 6.706 1.00 0.00 H new ATOM 0 HG SER A 93 -4.191 -13.225 5.386 1.00 0.00 H new ATOM 1465 N ILE A 94 -3.303 -10.521 3.359 1.00 0.00 N ATOM 1466 CA ILE A 94 -4.029 -10.179 2.138 1.00 0.00 C ATOM 1467 C ILE A 94 -3.168 -9.563 1.049 1.00 0.00 C ATOM 1468 O ILE A 94 -3.658 -9.350 -0.059 1.00 0.00 O ATOM 1469 CB ILE A 94 -5.187 -9.238 2.481 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -4.617 -7.945 3.050 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -6.112 -9.913 3.481 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -5.631 -6.850 3.244 1.00 0.00 C ATOM 0 H ILE A 94 -3.587 -9.941 4.148 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.397 -11.120 1.728 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.765 -9.006 1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.146 -8.161 4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.833 -7.584 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.936 -9.242 3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.508 -10.832 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.556 -10.150 4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.139 -5.967 3.652 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.086 -6.601 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.403 -7.188 3.935 1.00 0.00 H new ATOM 1484 N LEU A 95 -1.916 -9.229 1.354 1.00 0.00 N ATOM 1485 CA LEU A 95 -1.009 -8.723 0.347 1.00 0.00 C ATOM 1486 C LEU A 95 -0.064 -9.840 -0.098 1.00 0.00 C ATOM 1487 O LEU A 95 0.684 -9.684 -1.064 1.00 0.00 O ATOM 1488 CB LEU A 95 -0.220 -7.533 0.901 1.00 0.00 C ATOM 1489 CG LEU A 95 -1.071 -6.336 1.346 1.00 0.00 C ATOM 1490 CD1 LEU A 95 -0.153 -5.259 1.914 1.00 0.00 C ATOM 1491 CD2 LEU A 95 -1.885 -5.834 0.168 1.00 0.00 C ATOM 0 H LEU A 95 -1.515 -9.302 2.289 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.579 -8.381 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.372 -7.874 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.482 -7.196 0.138 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.771 -6.626 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.749 -4.404 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.393 -5.660 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.554 -4.942 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.491 -4.984 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.213 -5.526 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.536 -6.631 -0.190 1.00 0.00 H new ATOM 1503 N THR A 96 -0.110 -10.995 0.572 1.00 0.00 N ATOM 1504 CA THR A 96 0.772 -12.098 0.224 1.00 0.00 C ATOM 1505 C THR A 96 -0.071 -13.314 -0.127 1.00 0.00 C ATOM 1506 O THR A 96 -0.665 -13.387 -1.202 1.00 0.00 O ATOM 1507 CB THR A 96 1.734 -12.469 1.371 1.00 0.00 C ATOM 1508 OG1 THR A 96 0.977 -12.821 2.536 1.00 0.00 O ATOM 1509 CG2 THR A 96 2.631 -11.290 1.714 1.00 0.00 C ATOM 0 H THR A 96 -0.743 -11.184 1.349 1.00 0.00 H new ATOM 0 HA THR A 96 1.378 -11.780 -0.625 1.00 0.00 H new ATOM 0 HB THR A 96 2.348 -13.310 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.048 -12.530 2.423 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.304 -11.569 2.525 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.216 -11.011 0.838 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.018 -10.445 2.026 1.00 0.00 H new ATOM 1517 N GLU A 97 -0.165 -14.242 0.822 1.00 0.00 N ATOM 1518 CA GLU A 97 -0.857 -15.513 0.639 1.00 0.00 C ATOM 1519 C GLU A 97 -2.351 -15.403 0.362 1.00 0.00 C ATOM 1520 O GLU A 97 -2.910 -16.259 -0.326 1.00 0.00 O ATOM 1521 CB GLU A 97 -0.652 -16.377 1.883 1.00 0.00 C ATOM 1522 CG GLU A 97 0.777 -16.867 2.069 1.00 0.00 C ATOM 1523 CD GLU A 97 0.964 -17.688 3.314 1.00 0.00 C ATOM 1524 OE1 GLU A 97 0.043 -17.783 4.090 1.00 0.00 O ATOM 1525 OE2 GLU A 97 2.033 -18.223 3.489 1.00 0.00 O ATOM 0 H GLU A 97 0.242 -14.130 1.750 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.418 -15.959 -0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.946 -15.804 2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.316 -17.239 1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.066 -17.462 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.447 -16.008 2.104 1.00 0.00 H new ATOM 1532 N ASP A 98 -3.001 -14.368 0.884 1.00 0.00 N ATOM 1533 CA ASP A 98 -4.423 -14.186 0.663 1.00 0.00 C ATOM 1534 C ASP A 98 -4.705 -13.166 -0.445 1.00 0.00 C ATOM 1535 O ASP A 98 -5.866 -12.813 -0.661 1.00 0.00 O ATOM 1536 CB ASP A 98 -5.089 -13.751 1.970 1.00 0.00 C ATOM 1537 CG ASP A 98 -5.056 -14.784 3.079 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -5.227 -15.951 2.811 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -4.839 -14.377 4.198 1.00 0.00 O ATOM 0 H ASP A 98 -2.564 -13.648 1.460 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.840 -15.138 0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.601 -12.843 2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.128 -13.494 1.763 1.00 0.00 H new ATOM 1544 N TRP A 99 -3.673 -12.681 -1.144 1.00 0.00 N ATOM 1545 CA TRP A 99 -3.903 -11.700 -2.197 1.00 0.00 C ATOM 1546 C TRP A 99 -4.538 -12.360 -3.408 1.00 0.00 C ATOM 1547 O TRP A 99 -4.166 -13.468 -3.796 1.00 0.00 O ATOM 1548 CB TRP A 99 -2.612 -11.002 -2.620 1.00 0.00 C ATOM 1549 CG TRP A 99 -2.837 -9.879 -3.594 1.00 0.00 C ATOM 1550 CD1 TRP A 99 -3.153 -8.595 -3.267 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -2.763 -9.911 -5.041 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -3.289 -7.834 -4.398 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -3.052 -8.619 -5.493 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -2.478 -10.914 -5.974 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -3.066 -8.295 -6.838 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -2.489 -10.584 -7.319 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -2.774 -9.310 -7.741 1.00 0.00 C ATOM 0 H TRP A 99 -2.698 -12.945 -1.002 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.579 -10.948 -1.790 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -2.111 -10.611 -1.734 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -1.941 -11.734 -3.069 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.279 -8.229 -2.259 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -3.528 -6.843 -4.420 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -2.255 -11.921 -5.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -3.295 -7.294 -7.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -2.268 -11.346 -8.052 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -2.771 -9.091 -8.799 1.00 0.00 H new ATOM 1568 N SER A 100 -5.491 -11.661 -4.005 1.00 0.00 N ATOM 1569 CA SER A 100 -6.203 -12.145 -5.172 1.00 0.00 C ATOM 1570 C SER A 100 -6.072 -11.212 -6.370 1.00 0.00 C ATOM 1571 O SER A 100 -6.124 -10.000 -6.182 1.00 0.00 O ATOM 1572 CB SER A 100 -7.680 -12.295 -4.870 1.00 0.00 C ATOM 1573 OG SER A 100 -8.396 -12.637 -6.029 1.00 0.00 O ATOM 0 H SER A 100 -5.792 -10.738 -3.690 1.00 0.00 H new ATOM 0 HA SER A 100 -5.751 -13.106 -5.419 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.824 -13.062 -4.109 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.068 -11.363 -4.460 1.00 0.00 H new ATOM 0 HG SER A 100 -9.347 -12.730 -5.811 1.00 0.00 H new ATOM 1579 N PRO A 101 -5.904 -11.739 -7.594 1.00 0.00 N ATOM 1580 CA PRO A 101 -5.874 -11.006 -8.853 1.00 0.00 C ATOM 1581 C PRO A 101 -7.078 -10.095 -9.071 1.00 0.00 C ATOM 1582 O PRO A 101 -6.999 -9.130 -9.833 1.00 0.00 O ATOM 1583 CB PRO A 101 -5.828 -12.162 -9.860 1.00 0.00 C ATOM 1584 CG PRO A 101 -5.130 -13.271 -9.124 1.00 0.00 C ATOM 1585 CD PRO A 101 -5.572 -13.165 -7.687 1.00 0.00 C ATOM 0 HA PRO A 101 -5.043 -10.304 -8.922 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.830 -12.459 -10.170 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.286 -11.881 -10.763 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.394 -14.242 -9.542 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.048 -13.172 -9.207 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.430 -13.802 -7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.782 -13.450 -6.992 1.00 0.00 H new ATOM 1593 N ALA A 102 -8.199 -10.410 -8.417 1.00 0.00 N ATOM 1594 CA ALA A 102 -9.417 -9.618 -8.480 1.00 0.00 C ATOM 1595 C ALA A 102 -9.287 -8.301 -7.708 1.00 0.00 C ATOM 1596 O ALA A 102 -10.112 -7.404 -7.887 1.00 0.00 O ATOM 1597 CB ALA A 102 -10.581 -10.422 -7.924 1.00 0.00 C ATOM 0 H ALA A 102 -8.281 -11.235 -7.822 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.597 -9.373 -9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.492 -9.825 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.710 -11.330 -8.513 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.377 -10.688 -6.887 1.00 0.00 H new ATOM 1603 N LEU A 103 -8.276 -8.176 -6.847 1.00 0.00 N ATOM 1604 CA LEU A 103 -8.077 -6.959 -6.081 1.00 0.00 C ATOM 1605 C LEU A 103 -7.336 -5.941 -6.928 1.00 0.00 C ATOM 1606 O LEU A 103 -6.459 -6.298 -7.716 1.00 0.00 O ATOM 1607 CB LEU A 103 -7.267 -7.247 -4.813 1.00 0.00 C ATOM 1608 CG LEU A 103 -7.908 -8.231 -3.831 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -6.948 -8.474 -2.675 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -9.235 -7.665 -3.352 1.00 0.00 C ATOM 0 H LEU A 103 -7.586 -8.906 -6.667 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.052 -6.565 -5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.292 -7.636 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.091 -6.305 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.105 -9.187 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.397 -9.174 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.016 -8.891 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.742 -7.531 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.696 -8.362 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.065 -6.710 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.897 -7.517 -4.205 1.00 0.00 H new ATOM 1622 N SER A 104 -7.692 -4.674 -6.756 1.00 0.00 N ATOM 1623 CA SER A 104 -7.072 -3.583 -7.493 1.00 0.00 C ATOM 1624 C SER A 104 -5.915 -2.978 -6.715 1.00 0.00 C ATOM 1625 O SER A 104 -5.733 -3.279 -5.536 1.00 0.00 O ATOM 1626 CB SER A 104 -8.117 -2.532 -7.799 1.00 0.00 C ATOM 1627 OG SER A 104 -8.572 -1.905 -6.631 1.00 0.00 O ATOM 0 H SER A 104 -8.417 -4.376 -6.103 1.00 0.00 H new ATOM 0 HA SER A 104 -6.666 -3.975 -8.426 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.698 -1.786 -8.474 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.958 -2.993 -8.317 1.00 0.00 H new ATOM 0 HG SER A 104 -9.380 -1.387 -6.831 1.00 0.00 H new ATOM 1633 N VAL A 105 -5.122 -2.124 -7.357 1.00 0.00 N ATOM 1634 CA VAL A 105 -4.044 -1.487 -6.605 1.00 0.00 C ATOM 1635 C VAL A 105 -4.658 -0.454 -5.654 1.00 0.00 C ATOM 1636 O VAL A 105 -4.061 -0.119 -4.630 1.00 0.00 O ATOM 1637 CB VAL A 105 -3.011 -0.838 -7.539 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -2.437 -1.882 -8.462 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -3.632 0.290 -8.332 1.00 0.00 C ATOM 0 H VAL A 105 -5.195 -1.867 -8.341 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.510 -2.243 -6.030 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.208 -0.416 -6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.705 -1.420 -9.124 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.953 -2.662 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.238 -2.321 -9.057 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.880 0.733 -8.985 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.453 -0.098 -8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.011 1.050 -7.648 1.00 0.00 H new ATOM 1649 N GLN A 106 -5.843 0.046 -6.019 1.00 0.00 N ATOM 1650 CA GLN A 106 -6.662 0.925 -5.202 1.00 0.00 C ATOM 1651 C GLN A 106 -7.028 0.172 -3.934 1.00 0.00 C ATOM 1652 O GLN A 106 -6.895 0.721 -2.841 1.00 0.00 O ATOM 1653 CB GLN A 106 -7.914 1.364 -5.972 1.00 0.00 C ATOM 1654 CG GLN A 106 -8.870 2.306 -5.255 1.00 0.00 C ATOM 1655 CD GLN A 106 -10.068 2.664 -6.119 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -10.585 1.809 -6.844 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -10.519 3.913 -6.062 1.00 0.00 N ATOM 0 H GLN A 106 -6.266 -0.162 -6.924 1.00 0.00 H new ATOM 0 HA GLN A 106 -6.113 1.831 -4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.592 1.846 -6.895 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.469 0.469 -6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.215 1.840 -4.332 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.340 3.216 -4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.065 4.592 -5.450 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.319 4.193 -6.630 1.00 0.00 H new ATOM 1666 N SER A 107 -7.484 -1.078 -4.115 1.00 0.00 N ATOM 1667 CA SER A 107 -7.876 -1.987 -3.039 1.00 0.00 C ATOM 1668 C SER A 107 -6.718 -2.151 -2.063 1.00 0.00 C ATOM 1669 O SER A 107 -6.942 -2.161 -0.852 1.00 0.00 O ATOM 1670 CB SER A 107 -8.224 -3.382 -3.558 1.00 0.00 C ATOM 1671 OG SER A 107 -9.311 -3.395 -4.448 1.00 0.00 O ATOM 0 H SER A 107 -7.591 -1.490 -5.042 1.00 0.00 H new ATOM 0 HA SER A 107 -8.754 -1.550 -2.562 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.351 -3.803 -4.057 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.451 -4.030 -2.711 1.00 0.00 H new ATOM 0 HG SER A 107 -9.126 -2.793 -5.199 1.00 0.00 H new ATOM 1677 N VAL A 108 -5.502 -2.308 -2.602 1.00 0.00 N ATOM 1678 CA VAL A 108 -4.289 -2.432 -1.797 1.00 0.00 C ATOM 1679 C VAL A 108 -4.020 -1.194 -0.956 1.00 0.00 C ATOM 1680 O VAL A 108 -3.737 -1.322 0.235 1.00 0.00 O ATOM 1681 CB VAL A 108 -3.061 -2.708 -2.689 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -1.795 -2.611 -1.856 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -3.181 -4.094 -3.309 1.00 0.00 C ATOM 0 H VAL A 108 -5.336 -2.352 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.456 -3.273 -1.124 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.015 -1.968 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.928 -2.806 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.716 -1.611 -1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.831 -3.346 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.313 -4.287 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.230 -4.843 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.086 -4.145 -3.914 1.00 0.00 H new ATOM 1693 N CYS A 109 -4.108 -0.008 -1.554 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.884 1.209 -0.781 1.00 0.00 C ATOM 1695 C CYS A 109 -4.947 1.408 0.288 1.00 0.00 C ATOM 1696 O CYS A 109 -4.636 1.878 1.385 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.862 2.424 -1.698 1.00 0.00 C ATOM 1698 SG CYS A 109 -2.402 2.480 -2.745 1.00 0.00 S ATOM 0 H CYS A 109 -4.326 0.135 -2.540 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.919 1.100 -0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -4.753 2.416 -2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -3.905 3.330 -1.094 1.00 0.00 H new ATOM 0 HG CYS A 109 -2.764 2.595 -3.988 1.00 0.00 H new ATOM 1704 N LEU A 110 -6.189 1.058 -0.039 1.00 0.00 N ATOM 1705 CA LEU A 110 -7.281 1.152 0.908 1.00 0.00 C ATOM 1706 C LEU A 110 -7.131 0.114 2.014 1.00 0.00 C ATOM 1707 O LEU A 110 -7.559 0.357 3.142 1.00 0.00 O ATOM 1708 CB LEU A 110 -8.609 1.014 0.166 1.00 0.00 C ATOM 1709 CG LEU A 110 -8.915 2.219 -0.736 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -10.160 1.947 -1.569 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -9.094 3.437 0.159 1.00 0.00 C ATOM 0 H LEU A 110 -6.458 0.706 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.261 2.129 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.589 0.108 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.414 0.895 0.891 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.097 2.400 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.368 2.808 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.996 1.067 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -11.009 1.771 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.313 4.311 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.919 3.263 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.178 3.611 0.724 1.00 0.00 H new ATOM 1723 N SER A 111 -6.549 -1.042 1.696 1.00 0.00 N ATOM 1724 CA SER A 111 -6.270 -2.063 2.692 1.00 0.00 C ATOM 1725 C SER A 111 -5.244 -1.544 3.693 1.00 0.00 C ATOM 1726 O SER A 111 -5.361 -1.816 4.888 1.00 0.00 O ATOM 1727 CB SER A 111 -5.757 -3.324 2.028 1.00 0.00 C ATOM 1728 OG SER A 111 -6.743 -3.907 1.220 1.00 0.00 O ATOM 0 H SER A 111 -6.262 -1.291 0.749 1.00 0.00 H new ATOM 0 HA SER A 111 -7.194 -2.300 3.219 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.880 -3.090 1.425 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.439 -4.036 2.790 1.00 0.00 H new ATOM 0 HG SER A 111 -6.838 -3.388 0.394 1.00 0.00 H new ATOM 1734 N ILE A 112 -4.242 -0.821 3.197 1.00 0.00 N ATOM 1735 CA ILE A 112 -3.208 -0.221 4.030 1.00 0.00 C ATOM 1736 C ILE A 112 -3.776 0.870 4.938 1.00 0.00 C ATOM 1737 O ILE A 112 -3.434 0.913 6.120 1.00 0.00 O ATOM 1738 CB ILE A 112 -2.081 0.326 3.145 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -1.387 -0.853 2.462 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -1.086 1.102 3.996 1.00 0.00 C ATOM 1741 CD1 ILE A 112 -0.476 -0.439 1.337 1.00 0.00 C ATOM 0 H ILE A 112 -4.126 -0.635 2.201 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.801 -0.994 4.682 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.488 1.001 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.809 -1.404 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.143 -1.536 2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.288 1.488 3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.595 1.933 4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.661 0.442 4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.016 -1.324 0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.053 0.087 0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.302 0.220 1.722 1.00 0.00 H new ATOM 1753 N ILE A 113 -4.602 1.779 4.410 1.00 0.00 N ATOM 1754 CA ILE A 113 -5.180 2.767 5.321 1.00 0.00 C ATOM 1755 C ILE A 113 -6.164 2.104 6.289 1.00 0.00 C ATOM 1756 O ILE A 113 -6.323 2.599 7.404 1.00 0.00 O ATOM 1757 CB ILE A 113 -5.873 3.931 4.576 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -6.124 5.096 5.539 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -7.202 3.516 3.981 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -4.870 5.727 6.086 1.00 0.00 C ATOM 0 H ILE A 113 -4.871 1.852 3.429 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.349 3.191 5.885 1.00 0.00 H new ATOM 0 HB ILE A 113 -5.205 4.231 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -6.706 5.860 5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -6.731 4.740 6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.652 4.366 3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.045 2.704 3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -7.867 3.179 4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.136 6.542 6.758 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.295 4.979 6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.270 6.116 5.263 1.00 0.00 H new ATOM 1772 N SER A 114 -6.817 1.005 5.881 1.00 0.00 N ATOM 1773 CA SER A 114 -7.714 0.260 6.755 1.00 0.00 C ATOM 1774 C SER A 114 -6.910 -0.360 7.888 1.00 0.00 C ATOM 1775 O SER A 114 -7.377 -0.416 9.021 1.00 0.00 O ATOM 1776 CB SER A 114 -8.456 -0.825 5.994 1.00 0.00 C ATOM 1777 OG SER A 114 -9.321 -0.279 5.037 1.00 0.00 O ATOM 0 H SER A 114 -6.734 0.616 4.942 1.00 0.00 H new ATOM 0 HA SER A 114 -8.455 0.950 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 114 -7.738 -1.483 5.504 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.025 -1.438 6.693 1.00 0.00 H new ATOM 0 HG SER A 114 -8.797 0.154 4.331 1.00 0.00 H new ATOM 1783 N MET A 115 -5.714 -0.850 7.575 1.00 0.00 N ATOM 1784 CA MET A 115 -4.768 -1.363 8.558 1.00 0.00 C ATOM 1785 C MET A 115 -4.428 -0.313 9.610 1.00 0.00 C ATOM 1786 O MET A 115 -4.439 -0.590 10.811 1.00 0.00 O ATOM 1787 CB MET A 115 -3.493 -1.810 7.867 1.00 0.00 C ATOM 1788 CG MET A 115 -2.428 -2.291 8.815 1.00 0.00 C ATOM 1789 SD MET A 115 -0.854 -2.536 7.992 1.00 0.00 S ATOM 1790 CE MET A 115 -0.441 -0.810 7.750 1.00 0.00 C ATOM 0 H MET A 115 -5.371 -0.902 6.616 1.00 0.00 H new ATOM 0 HA MET A 115 -5.238 -2.210 9.057 1.00 0.00 H new ATOM 0 HB2 MET A 115 -3.731 -2.610 7.166 1.00 0.00 H new ATOM 0 HB3 MET A 115 -3.098 -0.980 7.281 1.00 0.00 H new ATOM 0 HG2 MET A 115 -2.307 -1.567 9.621 1.00 0.00 H new ATOM 0 HG3 MET A 115 -2.747 -3.227 9.273 1.00 0.00 H new ATOM 0 HE1 MET A 115 0.640 -0.705 7.653 1.00 0.00 H new ATOM 0 HE2 MET A 115 -0.924 -0.444 6.844 1.00 0.00 H new ATOM 0 HE3 MET A 115 -0.787 -0.230 8.605 1.00 0.00 H new ATOM 1800 N LEU A 116 -4.074 0.881 9.142 1.00 0.00 N ATOM 1801 CA LEU A 116 -3.762 2.011 10.009 1.00 0.00 C ATOM 1802 C LEU A 116 -4.953 2.474 10.854 1.00 0.00 C ATOM 1803 O LEU A 116 -4.784 2.844 12.016 1.00 0.00 O ATOM 1804 CB LEU A 116 -3.272 3.165 9.124 1.00 0.00 C ATOM 1805 CG LEU A 116 -1.902 2.965 8.464 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -1.678 4.048 7.435 1.00 0.00 C ATOM 1807 CD2 LEU A 116 -0.817 3.058 9.522 1.00 0.00 C ATOM 0 H LEU A 116 -3.996 1.092 8.147 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.996 1.693 10.716 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.010 3.336 8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.234 4.071 9.729 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.869 1.987 7.984 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.705 3.907 6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.459 3.996 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.709 5.023 7.921 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.158 2.916 9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.854 4.039 9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.975 2.286 10.275 1.00 0.00 H new ATOM 1819 N SER A 117 -6.153 2.446 10.280 1.00 0.00 N ATOM 1820 CA SER A 117 -7.373 2.870 10.958 1.00 0.00 C ATOM 1821 C SER A 117 -8.009 1.860 11.912 1.00 0.00 C ATOM 1822 O SER A 117 -8.295 2.183 13.066 1.00 0.00 O ATOM 1823 CB SER A 117 -8.405 3.244 9.909 1.00 0.00 C ATOM 1824 OG SER A 117 -9.614 3.633 10.502 1.00 0.00 O ATOM 0 H SER A 117 -6.306 2.126 9.324 1.00 0.00 H new ATOM 0 HA SER A 117 -7.066 3.705 11.587 1.00 0.00 H new ATOM 0 HB2 SER A 117 -8.022 4.057 9.292 1.00 0.00 H new ATOM 0 HB3 SER A 117 -8.578 2.396 9.247 1.00 0.00 H new ATOM 0 HG SER A 117 -10.260 3.870 9.804 1.00 0.00 H new ATOM 1830 N SER A 118 -8.233 0.647 11.424 1.00 0.00 N ATOM 1831 CA SER A 118 -8.894 -0.434 12.146 1.00 0.00 C ATOM 1832 C SER A 118 -7.964 -1.603 12.448 1.00 0.00 C ATOM 1833 O SER A 118 -8.363 -2.756 12.274 1.00 0.00 O ATOM 1834 CB SER A 118 -10.062 -0.955 11.333 1.00 0.00 C ATOM 1835 OG SER A 118 -9.626 -1.450 10.096 1.00 0.00 O ATOM 0 H SER A 118 -7.950 0.379 10.482 1.00 0.00 H new ATOM 0 HA SER A 118 -9.227 -0.013 13.095 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.573 -1.744 11.886 1.00 0.00 H new ATOM 0 HB3 SER A 118 -10.786 -0.156 11.175 1.00 0.00 H new ATOM 0 HG SER A 118 -8.689 -1.199 9.955 1.00 0.00 H new