USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 825 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 1 MET N :NH3+ 180:sc= -0.0344 (180deg=0) USER MOD Set 1.2: A 33 ASN : amide:sc= -0.323 X(o=-0.36,f=0.06) USER MOD Set 2.1: A 10 MET CE :methyl 155:sc= -0.627 (180deg=-1.84) USER MOD Set 2.2: A 24 TYR OH : rot 16:sc= 1.25 USER MOD Set 3.1: A 17 ASN : amide:sc= 1.05 K(o=2.4,f=-1.4) USER MOD Set 3.2: A 18 SER OG : rot -90:sc= 1.32 USER MOD Set 4.1: A 1 MET CE :methyl 156:sc= -0.716 (180deg=-2.06) USER MOD Set 4.2: A 4 MET CE :methyl 141:sc= -1.1 (180deg=-5.41!) USER MOD Single : A 3 ASN : amide:sc= -0.0313 X(o=-0.031,f=-0.031) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 45:sc= 0.265 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 135:sc= 1.06 USER MOD Single : A 22 CYS SG : rot -170:sc= 0.137 USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -0.0427 (180deg=-0.376) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -120:sc= 0.738 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0433) USER MOD Single : A 43 ASN : amide:sc= 0.835 K(o=0.83,f=-1) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -142:sc= 0.519 (180deg=-0.0143) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 61 CYS SG : rot 24:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.14) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.0153 USER MOD Single : A 68 ASN : amide:sc= 0.452 K(o=0.45,f=-1.8!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -120:sc= 0.156 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -97:sc= 1.28 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-6.4e-05) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 2.36 K(o=2.4,f=-7.5!) USER MOD Single : A 91 SER OG : rot -85:sc= 1.24 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -155:sc= 1.27 (180deg=0.112) USER MOD ----------------------------------------------------------------- ATOM 25 N MET A 1 16.214 -1.891 5.741 1.00 0.00 N ATOM 26 CA MET A 1 14.847 -2.266 6.078 1.00 0.00 C ATOM 27 C MET A 1 14.665 -3.741 5.789 1.00 0.00 C ATOM 28 O MET A 1 15.159 -4.208 4.767 1.00 0.00 O ATOM 29 CB MET A 1 13.830 -1.446 5.277 1.00 0.00 C ATOM 30 CG MET A 1 12.394 -1.852 5.638 1.00 0.00 C ATOM 31 SD MET A 1 12.052 -1.766 7.424 1.00 0.00 S ATOM 32 CE MET A 1 10.542 -2.747 7.589 1.00 0.00 C ATOM 0 H1 MET A 1 16.354 -0.879 5.935 1.00 0.00 H new ATOM 0 H2 MET A 1 16.878 -2.448 6.315 1.00 0.00 H new ATOM 0 H3 MET A 1 16.387 -2.078 4.733 1.00 0.00 H new ATOM 0 HA MET A 1 14.674 -2.063 7.135 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.974 -0.384 5.478 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.997 -1.594 4.210 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.696 -1.203 5.109 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.212 -2.868 5.288 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.465 -3.127 8.608 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.676 -2.122 7.368 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.573 -3.583 6.891 1.00 0.00 H new ATOM 42 N ILE A 2 13.934 -4.446 6.652 1.00 0.00 N ATOM 43 CA ILE A 2 13.756 -5.886 6.574 1.00 0.00 C ATOM 44 C ILE A 2 12.289 -6.208 6.851 1.00 0.00 C ATOM 45 O ILE A 2 11.722 -5.678 7.812 1.00 0.00 O ATOM 46 CB ILE A 2 14.675 -6.600 7.595 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.133 -6.098 7.547 1.00 0.00 C ATOM 48 CG2 ILE A 2 14.612 -8.116 7.347 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.039 -6.751 8.593 1.00 0.00 C ATOM 0 H ILE A 2 13.442 -4.020 7.437 1.00 0.00 H new ATOM 0 HA ILE A 2 14.028 -6.241 5.580 1.00 0.00 H new ATOM 0 HB ILE A 2 14.310 -6.366 8.595 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.542 -6.288 6.555 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.142 -5.018 7.694 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.256 -8.629 8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.586 -8.462 7.470 1.00 0.00 H new ATOM 0 HG23 ILE A 2 14.949 -8.333 6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.049 -6.351 8.501 1.00 0.00 H new ATOM 0 HD12 ILE A 2 16.654 -6.539 9.591 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.060 -7.829 8.434 1.00 0.00 H new ATOM 61 N ASN A 3 11.725 -7.146 6.084 1.00 0.00 N ATOM 62 CA ASN A 3 10.432 -7.795 6.308 1.00 0.00 C ATOM 63 C ASN A 3 9.234 -6.851 6.100 1.00 0.00 C ATOM 64 O ASN A 3 8.126 -7.162 6.540 1.00 0.00 O ATOM 65 CB ASN A 3 10.422 -8.531 7.669 1.00 0.00 C ATOM 66 CG ASN A 3 9.399 -9.660 7.733 1.00 0.00 C ATOM 67 OD1 ASN A 3 8.433 -9.625 8.500 1.00 0.00 O ATOM 68 ND2 ASN A 3 9.607 -10.733 6.991 1.00 0.00 N ATOM 0 H ASN A 3 12.186 -7.492 5.242 1.00 0.00 H new ATOM 0 HA ASN A 3 10.303 -8.553 5.536 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.415 -8.937 7.862 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.211 -7.813 8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.971 -11.528 7.054 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.404 -10.767 6.355 1.00 0.00 H new ATOM 75 N MET A 4 9.420 -5.709 5.420 1.00 0.00 N ATOM 76 CA MET A 4 8.346 -4.764 5.110 1.00 0.00 C ATOM 77 C MET A 4 7.285 -5.475 4.258 1.00 0.00 C ATOM 78 O MET A 4 7.610 -6.372 3.472 1.00 0.00 O ATOM 79 CB MET A 4 8.943 -3.563 4.348 1.00 0.00 C ATOM 80 CG MET A 4 8.059 -2.338 4.138 1.00 0.00 C ATOM 81 SD MET A 4 7.752 -1.277 5.571 1.00 0.00 S ATOM 82 CE MET A 4 9.053 0.007 5.447 1.00 0.00 C ATOM 0 H MET A 4 10.332 -5.416 5.068 1.00 0.00 H new ATOM 0 HA MET A 4 7.876 -4.403 6.025 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.838 -3.242 4.880 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.264 -3.915 3.368 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.511 -1.727 3.357 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.096 -2.679 3.759 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.638 0.974 5.730 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.877 -0.244 6.115 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.420 0.056 4.422 1.00 0.00 H new ATOM 92 N LYS A 5 6.032 -5.029 4.350 1.00 0.00 N ATOM 93 CA LYS A 5 4.946 -5.349 3.428 1.00 0.00 C ATOM 94 C LYS A 5 4.195 -4.049 3.188 1.00 0.00 C ATOM 95 O LYS A 5 3.819 -3.424 4.180 1.00 0.00 O ATOM 96 CB LYS A 5 3.977 -6.368 4.032 1.00 0.00 C ATOM 97 CG LYS A 5 4.422 -7.824 3.884 1.00 0.00 C ATOM 98 CD LYS A 5 3.271 -8.738 4.337 1.00 0.00 C ATOM 99 CE LYS A 5 3.752 -10.028 4.995 1.00 0.00 C ATOM 100 NZ LYS A 5 4.331 -11.009 4.060 1.00 0.00 N ATOM 0 H LYS A 5 5.735 -4.408 5.103 1.00 0.00 H new ATOM 0 HA LYS A 5 5.350 -5.780 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.848 -6.146 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.002 -6.249 3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.687 -8.035 2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.312 -8.010 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.638 -8.194 5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.652 -8.986 3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.498 -9.780 5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.913 -10.491 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.632 -11.854 4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.617 -11.277 3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.153 -10.589 3.581 1.00 0.00 H new ATOM 114 N VAL A 6 3.942 -3.647 1.945 1.00 0.00 N ATOM 115 CA VAL A 6 3.095 -2.497 1.648 1.00 0.00 C ATOM 116 C VAL A 6 2.174 -2.855 0.495 1.00 0.00 C ATOM 117 O VAL A 6 2.666 -3.340 -0.516 1.00 0.00 O ATOM 118 CB VAL A 6 3.956 -1.253 1.368 1.00 0.00 C ATOM 119 CG1 VAL A 6 3.171 -0.096 0.748 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.594 -0.732 2.652 1.00 0.00 C ATOM 0 H VAL A 6 4.318 -4.109 1.117 1.00 0.00 H new ATOM 0 HA VAL A 6 2.473 -2.246 2.507 1.00 0.00 H new ATOM 0 HB VAL A 6 4.710 -1.587 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.840 0.747 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.741 -0.416 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.372 0.206 1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.198 0.147 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.813 -0.464 3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.228 -1.507 3.084 1.00 0.00 H new ATOM 130 N ALA A 7 0.868 -2.613 0.648 1.00 0.00 N ATOM 131 CA ALA A 7 -0.191 -3.072 -0.245 1.00 0.00 C ATOM 132 C ALA A 7 -0.670 -1.941 -1.168 1.00 0.00 C ATOM 133 O ALA A 7 -1.649 -1.262 -0.868 1.00 0.00 O ATOM 134 CB ALA A 7 -1.339 -3.625 0.616 1.00 0.00 C ATOM 0 H ALA A 7 0.509 -2.068 1.432 1.00 0.00 H new ATOM 0 HA ALA A 7 0.188 -3.860 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.143 -3.975 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.973 -4.455 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.715 -2.838 1.270 1.00 0.00 H new ATOM 140 N ILE A 8 0.014 -1.699 -2.288 1.00 0.00 N ATOM 141 CA ILE A 8 -0.175 -0.486 -3.097 1.00 0.00 C ATOM 142 C ILE A 8 -1.363 -0.667 -4.047 1.00 0.00 C ATOM 143 O ILE A 8 -1.410 -1.661 -4.776 1.00 0.00 O ATOM 144 CB ILE A 8 1.136 -0.114 -3.835 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.258 -0.047 -2.780 1.00 0.00 C ATOM 146 CG2 ILE A 8 0.966 1.212 -4.608 1.00 0.00 C ATOM 147 CD1 ILE A 8 3.562 0.573 -3.236 1.00 0.00 C ATOM 0 H ILE A 8 0.716 -2.337 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.413 0.354 -2.445 1.00 0.00 H new ATOM 0 HB ILE A 8 1.394 -0.864 -4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.890 0.517 -1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.462 -1.059 -2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.897 1.457 -5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.166 1.106 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.715 2.011 -3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.276 0.566 -2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.966 -0.001 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.385 1.600 -3.554 1.00 0.00 H new ATOM 159 N SER A 9 -2.290 0.301 -4.064 1.00 0.00 N ATOM 160 CA SER A 9 -3.470 0.301 -4.925 1.00 0.00 C ATOM 161 C SER A 9 -3.108 0.546 -6.400 1.00 0.00 C ATOM 162 O SER A 9 -3.001 1.706 -6.810 1.00 0.00 O ATOM 163 CB SER A 9 -4.437 1.371 -4.373 1.00 0.00 C ATOM 164 OG SER A 9 -3.813 2.635 -4.234 1.00 0.00 O ATOM 0 H SER A 9 -2.234 1.123 -3.463 1.00 0.00 H new ATOM 0 HA SER A 9 -3.949 -0.678 -4.911 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.294 1.462 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.819 1.048 -3.405 1.00 0.00 H new ATOM 0 HG SER A 9 -3.289 2.832 -5.039 1.00 0.00 H new ATOM 170 N MET A 10 -2.928 -0.507 -7.196 1.00 0.00 N ATOM 171 CA MET A 10 -2.538 -0.426 -8.603 1.00 0.00 C ATOM 172 C MET A 10 -3.745 -0.592 -9.525 1.00 0.00 C ATOM 173 O MET A 10 -4.780 -1.121 -9.115 1.00 0.00 O ATOM 174 CB MET A 10 -1.496 -1.500 -8.937 1.00 0.00 C ATOM 175 CG MET A 10 -0.204 -1.357 -8.119 1.00 0.00 C ATOM 176 SD MET A 10 1.359 -1.864 -8.908 1.00 0.00 S ATOM 177 CE MET A 10 1.301 -0.971 -10.487 1.00 0.00 C ATOM 0 H MET A 10 -3.053 -1.466 -6.871 1.00 0.00 H new ATOM 0 HA MET A 10 -2.107 0.562 -8.764 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.927 -2.485 -8.757 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.255 -1.447 -9.999 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.107 -0.312 -7.825 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.321 -1.937 -7.203 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.315 -0.819 -10.856 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.734 -1.553 -11.213 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.819 -0.004 -10.341 1.00 0.00 H new ATOM 187 N ASP A 11 -3.608 -0.161 -10.782 1.00 0.00 N ATOM 188 CA ASP A 11 -4.594 -0.419 -11.838 1.00 0.00 C ATOM 189 C ASP A 11 -4.072 -1.523 -12.751 1.00 0.00 C ATOM 190 O ASP A 11 -4.637 -2.611 -12.822 1.00 0.00 O ATOM 191 CB ASP A 11 -4.908 0.858 -12.626 1.00 0.00 C ATOM 192 CG ASP A 11 -6.384 0.932 -12.993 1.00 0.00 C ATOM 193 OD1 ASP A 11 -6.773 0.400 -14.054 1.00 0.00 O ATOM 194 OD2 ASP A 11 -7.158 1.504 -12.199 1.00 0.00 O ATOM 0 H ASP A 11 -2.804 0.381 -11.099 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.529 -0.748 -11.384 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.634 1.731 -12.033 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.304 0.886 -13.533 1.00 0.00 H new ATOM 199 N VAL A 12 -2.958 -1.278 -13.435 1.00 0.00 N ATOM 200 CA VAL A 12 -2.344 -2.223 -14.343 1.00 0.00 C ATOM 201 C VAL A 12 -0.851 -2.033 -14.146 1.00 0.00 C ATOM 202 O VAL A 12 -0.162 -2.949 -13.698 1.00 0.00 O ATOM 203 CB VAL A 12 -2.815 -1.969 -15.794 1.00 0.00 C ATOM 204 CG1 VAL A 12 -2.158 -2.965 -16.747 1.00 0.00 C ATOM 205 CG2 VAL A 12 -4.342 -2.074 -15.943 1.00 0.00 C ATOM 0 H VAL A 12 -2.451 -0.395 -13.367 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.624 -3.258 -14.144 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.518 -0.951 -16.044 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.499 -2.774 -17.765 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.075 -2.853 -16.700 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.431 -3.980 -16.457 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.620 -1.887 -16.980 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.668 -3.073 -15.654 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.822 -1.336 -15.300 1.00 0.00 H new ATOM 215 N ASP A 13 -0.374 -0.815 -14.407 1.00 0.00 N ATOM 216 CA ASP A 13 1.043 -0.548 -14.635 1.00 0.00 C ATOM 217 C ASP A 13 1.564 0.624 -13.791 1.00 0.00 C ATOM 218 O ASP A 13 2.729 1.022 -13.862 1.00 0.00 O ATOM 219 CB ASP A 13 1.218 -0.302 -16.139 1.00 0.00 C ATOM 220 CG ASP A 13 2.611 -0.636 -16.658 1.00 0.00 C ATOM 221 OD1 ASP A 13 3.025 -1.816 -16.561 1.00 0.00 O ATOM 222 OD2 ASP A 13 3.209 0.218 -17.342 1.00 0.00 O ATOM 0 H ASP A 13 -0.963 0.015 -14.466 1.00 0.00 H new ATOM 0 HA ASP A 13 1.640 -1.403 -14.318 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.485 -0.898 -16.683 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.001 0.744 -16.354 1.00 0.00 H new ATOM 227 N LYS A 14 0.667 1.219 -13.000 1.00 0.00 N ATOM 228 CA LYS A 14 0.870 2.392 -12.159 1.00 0.00 C ATOM 229 C LYS A 14 -0.266 2.466 -11.136 1.00 0.00 C ATOM 230 O LYS A 14 -1.138 1.585 -11.122 1.00 0.00 O ATOM 231 CB LYS A 14 1.013 3.656 -13.030 1.00 0.00 C ATOM 232 CG LYS A 14 -0.114 3.874 -14.056 1.00 0.00 C ATOM 233 CD LYS A 14 0.347 4.729 -15.246 1.00 0.00 C ATOM 234 CE LYS A 14 1.283 3.894 -16.146 1.00 0.00 C ATOM 235 NZ LYS A 14 1.747 4.634 -17.333 1.00 0.00 N ATOM 0 H LYS A 14 -0.287 0.865 -12.929 1.00 0.00 H new ATOM 0 HA LYS A 14 1.802 2.317 -11.599 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.060 4.526 -12.375 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.963 3.606 -13.562 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.466 2.908 -14.419 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.960 4.358 -13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.516 5.071 -15.818 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.866 5.619 -14.889 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.147 3.572 -15.564 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.761 2.992 -16.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.371 4.025 -17.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.928 4.919 -17.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.270 5.481 -17.032 1.00 0.00 H new ATOM 249 N ILE A 15 -0.230 3.463 -10.250 1.00 0.00 N ATOM 250 CA ILE A 15 -1.246 3.646 -9.216 1.00 0.00 C ATOM 251 C ILE A 15 -2.594 3.893 -9.903 1.00 0.00 C ATOM 252 O ILE A 15 -2.646 4.511 -10.973 1.00 0.00 O ATOM 253 CB ILE A 15 -0.793 4.774 -8.254 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.518 4.348 -7.535 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.865 5.150 -7.213 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.189 5.441 -6.687 1.00 0.00 C ATOM 0 H ILE A 15 0.507 4.167 -10.231 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.372 2.759 -8.595 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.623 5.663 -8.861 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.299 3.496 -6.892 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.230 4.006 -8.286 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.486 5.945 -6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.764 5.495 -7.724 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.105 4.277 -6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.094 5.042 -6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.447 6.288 -7.323 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.502 5.769 -5.907 1.00 0.00 H new ATOM 268 N SER A 16 -3.678 3.403 -9.300 1.00 0.00 N ATOM 269 CA SER A 16 -5.035 3.620 -9.792 1.00 0.00 C ATOM 270 C SER A 16 -5.465 5.076 -9.513 1.00 0.00 C ATOM 271 O SER A 16 -5.242 5.982 -10.316 1.00 0.00 O ATOM 272 CB SER A 16 -5.955 2.519 -9.184 1.00 0.00 C ATOM 273 OG SER A 16 -7.281 2.936 -8.927 1.00 0.00 O ATOM 0 H SER A 16 -3.636 2.840 -8.450 1.00 0.00 H new ATOM 0 HA SER A 16 -5.107 3.515 -10.875 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.981 1.669 -9.866 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.512 2.167 -8.252 1.00 0.00 H new ATOM 0 HG SER A 16 -7.907 2.255 -9.251 1.00 0.00 H new ATOM 279 N ASN A 17 -6.008 5.330 -8.328 1.00 0.00 N ATOM 280 CA ASN A 17 -6.899 6.448 -8.062 1.00 0.00 C ATOM 281 C ASN A 17 -7.394 6.346 -6.627 1.00 0.00 C ATOM 282 O ASN A 17 -7.427 7.365 -5.937 1.00 0.00 O ATOM 283 CB ASN A 17 -8.113 6.437 -9.022 1.00 0.00 C ATOM 284 CG ASN A 17 -9.313 7.168 -8.434 1.00 0.00 C ATOM 285 OD1 ASN A 17 -10.128 6.548 -7.763 1.00 0.00 O ATOM 286 ND2 ASN A 17 -9.427 8.473 -8.605 1.00 0.00 N ATOM 0 H ASN A 17 -5.835 4.749 -7.507 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.351 7.377 -8.216 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.832 6.903 -9.967 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.390 5.406 -9.244 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.202 8.978 -8.175 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.740 8.976 -9.167 1.00 0.00 H new ATOM 293 N SER A 18 -7.802 5.168 -6.159 1.00 0.00 N ATOM 294 CA SER A 18 -8.197 4.963 -4.767 1.00 0.00 C ATOM 295 C SER A 18 -8.103 3.477 -4.407 1.00 0.00 C ATOM 296 O SER A 18 -7.912 2.624 -5.281 1.00 0.00 O ATOM 297 CB SER A 18 -9.616 5.525 -4.551 1.00 0.00 C ATOM 298 OG SER A 18 -10.521 5.078 -5.545 1.00 0.00 O ATOM 0 H SER A 18 -7.868 4.328 -6.734 1.00 0.00 H new ATOM 0 HA SER A 18 -7.519 5.499 -4.102 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.979 5.224 -3.568 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.579 6.614 -4.558 1.00 0.00 H new ATOM 0 HG SER A 18 -10.520 5.708 -6.296 1.00 0.00 H new ATOM 304 N PHE A 19 -8.221 3.168 -3.116 1.00 0.00 N ATOM 305 CA PHE A 19 -8.172 1.812 -2.594 1.00 0.00 C ATOM 306 C PHE A 19 -9.381 0.997 -3.077 1.00 0.00 C ATOM 307 O PHE A 19 -9.245 -0.197 -3.338 1.00 0.00 O ATOM 308 CB PHE A 19 -8.086 1.905 -1.067 1.00 0.00 C ATOM 309 CG PHE A 19 -7.855 0.588 -0.360 1.00 0.00 C ATOM 310 CD1 PHE A 19 -8.948 -0.193 0.054 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.546 0.151 -0.089 1.00 0.00 C ATOM 312 CE1 PHE A 19 -8.739 -1.403 0.737 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.336 -1.077 0.560 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.430 -1.855 0.979 1.00 0.00 C ATOM 0 H PHE A 19 -8.356 3.873 -2.391 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.295 1.281 -2.965 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.278 2.588 -0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.010 2.345 -0.692 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.954 0.139 -0.154 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.702 0.759 -0.380 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.583 -1.985 1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.329 -1.425 0.738 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.265 -2.795 1.484 1.00 0.00 H new ATOM 324 N GLU A 20 -10.551 1.625 -3.239 1.00 0.00 N ATOM 325 CA GLU A 20 -11.777 0.950 -3.675 1.00 0.00 C ATOM 326 C GLU A 20 -11.984 0.992 -5.194 1.00 0.00 C ATOM 327 O GLU A 20 -12.993 0.488 -5.686 1.00 0.00 O ATOM 328 CB GLU A 20 -12.987 1.473 -2.882 1.00 0.00 C ATOM 329 CG GLU A 20 -13.061 0.806 -1.503 1.00 0.00 C ATOM 330 CD GLU A 20 -13.715 -0.575 -1.437 1.00 0.00 C ATOM 331 OE1 GLU A 20 -14.142 -1.140 -2.463 1.00 0.00 O ATOM 332 OE2 GLU A 20 -13.787 -1.100 -0.302 1.00 0.00 O ATOM 0 H GLU A 20 -10.674 2.623 -3.070 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.668 -0.110 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.912 2.554 -2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.904 1.276 -3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.047 0.720 -1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.605 1.472 -0.833 1.00 0.00 H new ATOM 339 N ASP A 21 -11.035 1.537 -5.956 1.00 0.00 N ATOM 340 CA ASP A 21 -11.097 1.580 -7.421 1.00 0.00 C ATOM 341 C ASP A 21 -9.791 1.089 -8.047 1.00 0.00 C ATOM 342 O ASP A 21 -9.461 1.381 -9.204 1.00 0.00 O ATOM 343 CB ASP A 21 -11.477 2.992 -7.867 1.00 0.00 C ATOM 344 CG ASP A 21 -12.361 3.014 -9.110 1.00 0.00 C ATOM 345 OD1 ASP A 21 -12.376 2.060 -9.925 1.00 0.00 O ATOM 346 OD2 ASP A 21 -13.085 4.024 -9.245 1.00 0.00 O ATOM 0 H ASP A 21 -10.193 1.966 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.869 0.897 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.996 3.496 -7.052 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.568 3.560 -8.066 1.00 0.00 H new ATOM 351 N CYS A 22 -8.993 0.377 -7.250 1.00 0.00 N ATOM 352 CA CYS A 22 -7.842 -0.358 -7.723 1.00 0.00 C ATOM 353 C CYS A 22 -8.265 -1.728 -8.244 1.00 0.00 C ATOM 354 O CYS A 22 -9.390 -2.193 -8.039 1.00 0.00 O ATOM 355 CB CYS A 22 -6.800 -0.450 -6.607 1.00 0.00 C ATOM 356 SG CYS A 22 -7.251 -1.651 -5.331 1.00 0.00 S ATOM 0 H CYS A 22 -9.139 0.300 -6.243 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.383 0.168 -8.560 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.837 -0.726 -7.036 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.676 0.531 -6.149 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.445 -1.531 -4.318 1.00 0.00 H new ATOM 362 N LYS A 23 -7.331 -2.371 -8.931 1.00 0.00 N ATOM 363 CA LYS A 23 -7.514 -3.652 -9.604 1.00 0.00 C ATOM 364 C LYS A 23 -6.752 -4.723 -8.860 1.00 0.00 C ATOM 365 O LYS A 23 -7.173 -5.880 -8.859 1.00 0.00 O ATOM 366 CB LYS A 23 -6.952 -3.532 -11.019 1.00 0.00 C ATOM 367 CG LYS A 23 -7.901 -2.881 -12.029 1.00 0.00 C ATOM 368 CD LYS A 23 -8.512 -1.532 -11.632 1.00 0.00 C ATOM 369 CE LYS A 23 -9.470 -1.020 -12.699 1.00 0.00 C ATOM 370 NZ LYS A 23 -10.646 -1.907 -12.784 1.00 0.00 N ATOM 0 H LYS A 23 -6.387 -2.001 -9.040 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.572 -3.915 -9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.030 -2.953 -10.981 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.689 -4.527 -11.377 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.360 -2.747 -12.966 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.715 -3.578 -12.228 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.042 -1.635 -10.685 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.717 -0.803 -11.475 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.786 -0.005 -12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.965 -0.978 -13.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.420 -1.412 -13.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.396 -2.765 -13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.952 -2.170 -11.826 1.00 0.00 H new ATOM 384 N TYR A 24 -5.636 -4.357 -8.235 1.00 0.00 N ATOM 385 CA TYR A 24 -4.922 -5.231 -7.343 1.00 0.00 C ATOM 386 C TYR A 24 -4.117 -4.410 -6.349 1.00 0.00 C ATOM 387 O TYR A 24 -3.801 -3.238 -6.573 1.00 0.00 O ATOM 388 CB TYR A 24 -4.018 -6.179 -8.142 1.00 0.00 C ATOM 389 CG TYR A 24 -2.920 -5.535 -8.962 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.148 -5.204 -10.311 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.638 -5.372 -8.406 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.094 -4.726 -11.112 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.585 -4.905 -9.202 1.00 0.00 C ATOM 394 CZ TYR A 24 -0.798 -4.590 -10.563 1.00 0.00 C ATOM 395 OH TYR A 24 0.251 -4.165 -11.321 1.00 0.00 O ATOM 0 H TYR A 24 -5.209 -3.437 -8.342 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.635 -5.838 -6.785 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.557 -6.879 -7.445 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.646 -6.764 -8.813 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.136 -5.317 -10.733 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.466 -5.607 -7.366 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.275 -4.464 -12.144 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.398 -4.785 -8.772 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.086 -3.752 -12.143 1.00 0.00 H new ATOM 405 N PHE A 25 -3.747 -5.079 -5.265 1.00 0.00 N ATOM 406 CA PHE A 25 -2.826 -4.608 -4.261 1.00 0.00 C ATOM 407 C PHE A 25 -1.492 -5.262 -4.560 1.00 0.00 C ATOM 408 O PHE A 25 -1.360 -6.488 -4.492 1.00 0.00 O ATOM 409 CB PHE A 25 -3.349 -4.942 -2.866 1.00 0.00 C ATOM 410 CG PHE A 25 -4.709 -4.329 -2.639 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.807 -2.944 -2.428 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.873 -5.109 -2.779 1.00 0.00 C ATOM 413 CE1 PHE A 25 -6.074 -2.349 -2.325 1.00 0.00 C ATOM 414 CE2 PHE A 25 -7.139 -4.508 -2.668 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.239 -3.131 -2.418 1.00 0.00 C ATOM 0 H PHE A 25 -4.104 -6.012 -5.060 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.714 -3.524 -4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.409 -6.024 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.650 -4.575 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.914 -2.342 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.793 -6.169 -2.972 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.155 -1.283 -2.173 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.033 -5.105 -2.775 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.209 -2.672 -2.297 1.00 0.00 H new ATOM 425 N LEU A 26 -0.519 -4.462 -4.981 1.00 0.00 N ATOM 426 CA LEU A 26 0.852 -4.934 -5.112 1.00 0.00 C ATOM 427 C LEU A 26 1.415 -4.992 -3.689 1.00 0.00 C ATOM 428 O LEU A 26 1.599 -3.929 -3.100 1.00 0.00 O ATOM 429 CB LEU A 26 1.634 -3.982 -6.036 1.00 0.00 C ATOM 430 CG LEU A 26 3.012 -4.449 -6.538 1.00 0.00 C ATOM 431 CD1 LEU A 26 3.959 -4.778 -5.394 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.969 -5.648 -7.497 1.00 0.00 C ATOM 0 H LEU A 26 -0.655 -3.484 -5.237 1.00 0.00 H new ATOM 0 HA LEU A 26 0.924 -5.921 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.012 -3.773 -6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.771 -3.038 -5.508 1.00 0.00 H new ATOM 0 HG LEU A 26 3.384 -3.592 -7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.918 -5.103 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.106 -3.891 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.532 -5.576 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.983 -5.908 -7.800 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.510 -6.500 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.383 -5.388 -8.378 1.00 0.00 H new ATOM 444 N ILE A 27 1.644 -6.177 -3.105 1.00 0.00 N ATOM 445 CA ILE A 27 2.399 -6.287 -1.859 1.00 0.00 C ATOM 446 C ILE A 27 3.874 -6.136 -2.221 1.00 0.00 C ATOM 447 O ILE A 27 4.492 -7.080 -2.721 1.00 0.00 O ATOM 448 CB ILE A 27 2.123 -7.581 -1.058 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.624 -7.881 -0.872 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.852 -7.542 0.301 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.216 -6.713 -0.347 1.00 0.00 C ATOM 0 H ILE A 27 1.316 -7.068 -3.478 1.00 0.00 H new ATOM 0 HA ILE A 27 2.076 -5.499 -1.178 1.00 0.00 H new ATOM 0 HB ILE A 27 2.520 -8.403 -1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.213 -8.202 -1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.521 -8.720 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.646 -8.460 0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.926 -7.451 0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.500 -6.687 0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.256 -7.027 -0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.161 -6.403 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.152 -5.877 -1.043 1.00 0.00 H new ATOM 463 N VAL A 28 4.430 -4.948 -2.015 1.00 0.00 N ATOM 464 CA VAL A 28 5.864 -4.712 -2.025 1.00 0.00 C ATOM 465 C VAL A 28 6.435 -5.440 -0.809 1.00 0.00 C ATOM 466 O VAL A 28 5.893 -5.293 0.288 1.00 0.00 O ATOM 467 CB VAL A 28 6.158 -3.198 -1.951 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.648 -2.916 -2.171 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.385 -2.380 -2.991 1.00 0.00 C ATOM 0 H VAL A 28 3.883 -4.106 -1.833 1.00 0.00 H new ATOM 0 HA VAL A 28 6.320 -5.081 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 28 5.840 -2.897 -0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.827 -1.842 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.232 -3.423 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.946 -3.282 -3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.637 -1.325 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.653 -2.718 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.314 -2.514 -2.837 1.00 0.00 H new ATOM 479 N ARG A 29 7.527 -6.193 -0.975 1.00 0.00 N ATOM 480 CA ARG A 29 8.324 -6.696 0.138 1.00 0.00 C ATOM 481 C ARG A 29 9.696 -6.055 0.036 1.00 0.00 C ATOM 482 O ARG A 29 10.407 -6.282 -0.948 1.00 0.00 O ATOM 483 CB ARG A 29 8.425 -8.224 0.131 1.00 0.00 C ATOM 484 CG ARG A 29 7.051 -8.911 0.238 1.00 0.00 C ATOM 485 CD ARG A 29 7.147 -10.330 0.813 1.00 0.00 C ATOM 486 NE ARG A 29 8.240 -11.110 0.211 1.00 0.00 N ATOM 487 CZ ARG A 29 8.738 -12.264 0.663 1.00 0.00 C ATOM 488 NH1 ARG A 29 8.195 -12.868 1.715 1.00 0.00 N ATOM 489 NH2 ARG A 29 9.787 -12.785 0.041 1.00 0.00 N ATOM 0 H ARG A 29 7.881 -6.469 -1.891 1.00 0.00 H new ATOM 0 HA ARG A 29 7.845 -6.435 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.918 -8.547 -0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.053 -8.546 0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.396 -8.310 0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.591 -8.953 -0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.297 -10.272 1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.202 -10.849 0.650 1.00 0.00 H new ATOM 0 HE ARG A 29 8.660 -10.731 -0.638 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.391 -12.451 2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.582 -13.749 2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.194 -12.305 -0.762 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.187 -13.665 0.366 1.00 0.00 H new ATOM 503 N ILE A 30 10.041 -5.222 1.013 1.00 0.00 N ATOM 504 CA ILE A 30 11.351 -4.604 1.124 1.00 0.00 C ATOM 505 C ILE A 30 12.033 -5.312 2.275 1.00 0.00 C ATOM 506 O ILE A 30 11.564 -5.256 3.416 1.00 0.00 O ATOM 507 CB ILE A 30 11.258 -3.076 1.310 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.739 -2.385 0.031 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.610 -2.462 1.692 1.00 0.00 C ATOM 510 CD1 ILE A 30 9.708 -1.313 0.392 1.00 0.00 C ATOM 0 H ILE A 30 9.403 -4.955 1.763 1.00 0.00 H new ATOM 0 HA ILE A 30 11.933 -4.715 0.209 1.00 0.00 H new ATOM 0 HB ILE A 30 10.553 -2.910 2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.570 -1.933 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.290 -3.123 -0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.499 -1.384 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.956 -2.899 2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.337 -2.666 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.349 -0.832 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.870 -1.775 0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.170 -0.567 1.038 1.00 0.00 H new ATOM 522 N ASP A 31 13.111 -6.013 1.939 1.00 0.00 N ATOM 523 CA ASP A 31 13.680 -7.038 2.815 1.00 0.00 C ATOM 524 C ASP A 31 15.166 -6.816 3.067 1.00 0.00 C ATOM 525 O ASP A 31 15.726 -7.434 3.971 1.00 0.00 O ATOM 526 CB ASP A 31 13.429 -8.450 2.263 1.00 0.00 C ATOM 527 CG ASP A 31 11.952 -8.867 2.226 1.00 0.00 C ATOM 528 OD1 ASP A 31 11.118 -8.330 2.991 1.00 0.00 O ATOM 529 OD2 ASP A 31 11.619 -9.794 1.443 1.00 0.00 O ATOM 0 H ASP A 31 13.613 -5.890 1.060 1.00 0.00 H new ATOM 0 HA ASP A 31 13.168 -6.950 3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.835 -8.509 1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.981 -9.167 2.871 1.00 0.00 H new ATOM 534 N ASP A 32 15.784 -5.904 2.313 1.00 0.00 N ATOM 535 CA ASP A 32 17.115 -5.373 2.593 1.00 0.00 C ATOM 536 C ASP A 32 17.238 -3.996 1.942 1.00 0.00 C ATOM 537 O ASP A 32 18.064 -3.755 1.061 1.00 0.00 O ATOM 538 CB ASP A 32 18.191 -6.353 2.117 1.00 0.00 C ATOM 539 CG ASP A 32 19.595 -5.964 2.564 1.00 0.00 C ATOM 540 OD1 ASP A 32 19.747 -5.140 3.493 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.553 -6.547 2.008 1.00 0.00 O ATOM 0 H ASP A 32 15.362 -5.507 1.473 1.00 0.00 H new ATOM 0 HA ASP A 32 17.263 -5.254 3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.959 -7.349 2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.166 -6.410 1.029 1.00 0.00 H new ATOM 546 N ASN A 33 16.313 -3.113 2.332 1.00 0.00 N ATOM 547 CA ASN A 33 16.066 -1.747 1.840 1.00 0.00 C ATOM 548 C ASN A 33 15.681 -1.617 0.366 1.00 0.00 C ATOM 549 O ASN A 33 15.162 -0.578 -0.024 1.00 0.00 O ATOM 550 CB ASN A 33 17.207 -0.800 2.232 1.00 0.00 C ATOM 551 CG ASN A 33 16.774 0.610 2.601 1.00 0.00 C ATOM 552 OD1 ASN A 33 17.222 1.582 2.013 1.00 0.00 O ATOM 553 ND2 ASN A 33 15.993 0.742 3.667 1.00 0.00 N ATOM 0 H ASN A 33 15.653 -3.357 3.071 1.00 0.00 H new ATOM 0 HA ASN A 33 15.157 -1.437 2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.743 -1.232 3.077 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.912 -0.742 1.403 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.754 1.672 4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 33 15.632 -0.086 4.140 1.00 0.00 H new ATOM 560 N GLU A 34 15.787 -2.688 -0.417 1.00 0.00 N ATOM 561 CA GLU A 34 15.282 -2.764 -1.781 1.00 0.00 C ATOM 562 C GLU A 34 14.049 -3.664 -1.843 1.00 0.00 C ATOM 563 O GLU A 34 13.860 -4.536 -0.985 1.00 0.00 O ATOM 564 CB GLU A 34 16.364 -3.362 -2.681 1.00 0.00 C ATOM 565 CG GLU A 34 17.465 -2.361 -3.049 1.00 0.00 C ATOM 566 CD GLU A 34 17.903 -2.589 -4.490 1.00 0.00 C ATOM 567 OE1 GLU A 34 18.685 -3.527 -4.764 1.00 0.00 O ATOM 568 OE2 GLU A 34 17.325 -1.941 -5.385 1.00 0.00 O ATOM 0 H GLU A 34 16.239 -3.549 -0.110 1.00 0.00 H new ATOM 0 HA GLU A 34 15.015 -1.761 -2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 34 16.814 -4.218 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.902 -3.736 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.099 -1.342 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.315 -2.477 -2.377 1.00 0.00 H new ATOM 575 N VAL A 35 13.244 -3.486 -2.896 1.00 0.00 N ATOM 576 CA VAL A 35 12.131 -4.355 -3.262 1.00 0.00 C ATOM 577 C VAL A 35 12.659 -5.742 -3.670 1.00 0.00 C ATOM 578 O VAL A 35 13.000 -6.003 -4.827 1.00 0.00 O ATOM 579 CB VAL A 35 11.222 -3.646 -4.294 1.00 0.00 C ATOM 580 CG1 VAL A 35 11.906 -3.201 -5.598 1.00 0.00 C ATOM 581 CG2 VAL A 35 10.003 -4.510 -4.633 1.00 0.00 C ATOM 0 H VAL A 35 13.358 -2.702 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 35 11.481 -4.547 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 35 10.925 -2.726 -3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.175 -2.717 -6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.708 -2.499 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.321 -4.071 -6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.379 -3.990 -5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.335 -5.459 -5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.426 -4.696 -3.727 1.00 0.00 H new ATOM 591 N LYS A 36 12.759 -6.638 -2.691 1.00 0.00 N ATOM 592 CA LYS A 36 13.290 -7.994 -2.824 1.00 0.00 C ATOM 593 C LYS A 36 12.240 -8.986 -3.306 1.00 0.00 C ATOM 594 O LYS A 36 12.593 -10.069 -3.779 1.00 0.00 O ATOM 595 CB LYS A 36 13.822 -8.440 -1.454 1.00 0.00 C ATOM 596 CG LYS A 36 15.351 -8.457 -1.370 1.00 0.00 C ATOM 597 CD LYS A 36 16.030 -7.104 -1.618 1.00 0.00 C ATOM 598 CE LYS A 36 17.534 -7.223 -1.367 1.00 0.00 C ATOM 599 NZ LYS A 36 18.269 -7.892 -2.459 1.00 0.00 N ATOM 0 H LYS A 36 12.458 -6.430 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 36 14.083 -7.978 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.431 -7.772 -0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.442 -9.438 -1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 36 15.641 -8.817 -0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 36 15.732 -9.176 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.848 -6.778 -2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.602 -6.347 -0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.949 -6.226 -1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.696 -7.775 -0.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.280 -7.937 -2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.900 -8.856 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.145 -7.355 -3.341 1.00 0.00 H new ATOM 613 N SER A 37 10.954 -8.689 -3.153 1.00 0.00 N ATOM 614 CA SER A 37 9.898 -9.443 -3.807 1.00 0.00 C ATOM 615 C SER A 37 8.729 -8.500 -4.046 1.00 0.00 C ATOM 616 O SER A 37 8.587 -7.492 -3.348 1.00 0.00 O ATOM 617 CB SER A 37 9.444 -10.641 -2.962 1.00 0.00 C ATOM 618 OG SER A 37 10.519 -11.292 -2.307 1.00 0.00 O ATOM 0 H SER A 37 10.618 -7.920 -2.573 1.00 0.00 H new ATOM 0 HA SER A 37 10.275 -9.843 -4.748 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.723 -10.302 -2.218 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.928 -11.357 -3.602 1.00 0.00 H new ATOM 0 HG SER A 37 10.564 -12.226 -2.601 1.00 0.00 H new ATOM 624 N THR A 38 7.833 -8.887 -4.942 1.00 0.00 N ATOM 625 CA THR A 38 6.501 -8.324 -5.021 1.00 0.00 C ATOM 626 C THR A 38 5.492 -9.465 -5.108 1.00 0.00 C ATOM 627 O THR A 38 5.824 -10.601 -5.475 1.00 0.00 O ATOM 628 CB THR A 38 6.404 -7.315 -6.180 1.00 0.00 C ATOM 629 OG1 THR A 38 6.887 -7.855 -7.395 1.00 0.00 O ATOM 630 CG2 THR A 38 7.225 -6.061 -5.882 1.00 0.00 C ATOM 0 H THR A 38 8.016 -9.608 -5.640 1.00 0.00 H new ATOM 0 HA THR A 38 6.269 -7.752 -4.123 1.00 0.00 H new ATOM 0 HB THR A 38 5.346 -7.072 -6.280 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.807 -7.185 -8.106 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.140 -5.364 -6.716 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.851 -5.588 -4.974 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.271 -6.335 -5.743 1.00 0.00 H new ATOM 638 N LYS A 39 4.249 -9.168 -4.753 1.00 0.00 N ATOM 639 CA LYS A 39 3.082 -10.016 -4.924 1.00 0.00 C ATOM 640 C LYS A 39 1.985 -9.139 -5.469 1.00 0.00 C ATOM 641 O LYS A 39 1.989 -7.941 -5.222 1.00 0.00 O ATOM 642 CB LYS A 39 2.606 -10.557 -3.565 1.00 0.00 C ATOM 643 CG LYS A 39 2.926 -11.994 -3.192 1.00 0.00 C ATOM 644 CD LYS A 39 4.379 -12.217 -2.740 1.00 0.00 C ATOM 645 CE LYS A 39 5.182 -13.141 -3.665 1.00 0.00 C ATOM 646 NZ LYS A 39 4.648 -14.520 -3.718 1.00 0.00 N ATOM 0 H LYS A 39 4.018 -8.277 -4.313 1.00 0.00 H new ATOM 0 HA LYS A 39 3.323 -10.852 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.025 -9.915 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.523 -10.440 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.256 -12.308 -2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.721 -12.635 -4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.883 -11.252 -2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.376 -12.638 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.188 -12.722 -4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.218 -13.172 -3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.337 -15.141 -4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.476 -14.863 -2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.755 -14.526 -4.252 1.00 0.00 H new ATOM 660 N VAL A 40 1.010 -9.747 -6.114 1.00 0.00 N ATOM 661 CA VAL A 40 -0.204 -9.112 -6.587 1.00 0.00 C ATOM 662 C VAL A 40 -1.323 -9.806 -5.819 1.00 0.00 C ATOM 663 O VAL A 40 -1.258 -11.018 -5.595 1.00 0.00 O ATOM 664 CB VAL A 40 -0.263 -9.308 -8.113 1.00 0.00 C ATOM 665 CG1 VAL A 40 -1.625 -9.004 -8.741 1.00 0.00 C ATOM 666 CG2 VAL A 40 0.817 -8.420 -8.753 1.00 0.00 C ATOM 0 H VAL A 40 1.044 -10.743 -6.333 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.273 -8.037 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.088 -10.366 -8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.574 -9.169 -9.817 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.380 -9.661 -8.309 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.892 -7.966 -8.545 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.794 -8.542 -9.836 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.626 -7.377 -8.502 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.797 -8.711 -8.376 1.00 0.00 H new ATOM 676 N ILE A 41 -2.333 -9.053 -5.399 1.00 0.00 N ATOM 677 CA ILE A 41 -3.557 -9.545 -4.790 1.00 0.00 C ATOM 678 C ILE A 41 -4.668 -8.838 -5.557 1.00 0.00 C ATOM 679 O ILE A 41 -4.898 -7.652 -5.324 1.00 0.00 O ATOM 680 CB ILE A 41 -3.567 -9.224 -3.277 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.383 -9.876 -2.532 1.00 0.00 C ATOM 682 CG2 ILE A 41 -4.899 -9.650 -2.649 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.392 -9.585 -1.025 1.00 0.00 C ATOM 0 H ILE A 41 -2.317 -8.036 -5.479 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.672 -10.627 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.454 -8.145 -3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.411 -10.954 -2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.448 -9.516 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.890 -9.417 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.716 -9.114 -3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.039 -10.722 -2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.536 -10.070 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.334 -8.509 -0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.312 -9.970 -0.586 1.00 0.00 H new ATOM 695 N PHE A 42 -5.304 -9.516 -6.514 1.00 0.00 N ATOM 696 CA PHE A 42 -6.399 -8.930 -7.278 1.00 0.00 C ATOM 697 C PHE A 42 -7.514 -8.514 -6.325 1.00 0.00 C ATOM 698 O PHE A 42 -7.842 -9.243 -5.381 1.00 0.00 O ATOM 699 CB PHE A 42 -6.910 -9.904 -8.345 1.00 0.00 C ATOM 700 CG PHE A 42 -5.848 -10.270 -9.360 1.00 0.00 C ATOM 701 CD1 PHE A 42 -5.359 -9.285 -10.237 1.00 0.00 C ATOM 702 CD2 PHE A 42 -5.319 -11.574 -9.405 1.00 0.00 C ATOM 703 CE1 PHE A 42 -4.320 -9.592 -11.131 1.00 0.00 C ATOM 704 CE2 PHE A 42 -4.295 -11.885 -10.319 1.00 0.00 C ATOM 705 CZ PHE A 42 -3.782 -10.889 -11.169 1.00 0.00 C ATOM 0 H PHE A 42 -5.076 -10.475 -6.777 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.036 -8.046 -7.802 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.271 -10.811 -7.860 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.761 -9.458 -8.860 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.783 -8.292 -10.223 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.699 -12.335 -8.739 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.934 -8.829 -11.791 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.903 -12.890 -10.368 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.976 -11.121 -11.850 1.00 0.00 H new ATOM 715 N ASN A 43 -8.070 -7.333 -6.578 1.00 0.00 N ATOM 716 CA ASN A 43 -9.173 -6.749 -5.839 1.00 0.00 C ATOM 717 C ASN A 43 -10.451 -7.495 -6.227 1.00 0.00 C ATOM 718 O ASN A 43 -11.132 -7.119 -7.181 1.00 0.00 O ATOM 719 CB ASN A 43 -9.253 -5.243 -6.135 1.00 0.00 C ATOM 720 CG ASN A 43 -10.417 -4.592 -5.403 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.896 -5.103 -4.392 1.00 0.00 O ATOM 722 ND2 ASN A 43 -10.857 -3.445 -5.880 1.00 0.00 N ATOM 0 H ASN A 43 -7.746 -6.735 -7.338 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.030 -6.850 -4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.321 -4.763 -5.838 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.364 -5.087 -7.208 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.617 -2.954 -5.408 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.438 -3.048 -6.721 1.00 0.00 H new ATOM 729 N ASP A 44 -10.702 -8.613 -5.545 1.00 0.00 N ATOM 730 CA ASP A 44 -11.731 -9.604 -5.883 1.00 0.00 C ATOM 731 C ASP A 44 -12.456 -10.061 -4.621 1.00 0.00 C ATOM 732 O ASP A 44 -12.766 -11.241 -4.491 1.00 0.00 O ATOM 733 CB ASP A 44 -11.078 -10.808 -6.581 1.00 0.00 C ATOM 734 CG ASP A 44 -12.109 -11.711 -7.264 1.00 0.00 C ATOM 735 OD1 ASP A 44 -12.759 -11.222 -8.220 1.00 0.00 O ATOM 736 OD2 ASP A 44 -12.248 -12.907 -6.925 1.00 0.00 O ATOM 0 H ASP A 44 -10.175 -8.865 -4.709 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.457 -9.149 -6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.362 -10.452 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.517 -11.389 -5.849 1.00 0.00 H new ATOM 741 N GLU A 45 -12.628 -9.158 -3.643 1.00 0.00 N ATOM 742 CA GLU A 45 -13.147 -9.428 -2.297 1.00 0.00 C ATOM 743 C GLU A 45 -12.158 -10.315 -1.525 1.00 0.00 C ATOM 744 O GLU A 45 -11.457 -9.836 -0.635 1.00 0.00 O ATOM 745 CB GLU A 45 -14.572 -10.007 -2.390 1.00 0.00 C ATOM 746 CG GLU A 45 -15.218 -10.387 -1.047 1.00 0.00 C ATOM 747 CD GLU A 45 -15.785 -9.218 -0.250 1.00 0.00 C ATOM 748 OE1 GLU A 45 -16.420 -8.323 -0.854 1.00 0.00 O ATOM 749 OE2 GLU A 45 -15.669 -9.237 0.997 1.00 0.00 O ATOM 0 H GLU A 45 -12.397 -8.174 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.234 -8.504 -1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.211 -9.277 -2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.545 -10.893 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.020 -11.101 -1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.474 -10.897 -0.435 1.00 0.00 H new ATOM 756 N SER A 46 -12.031 -11.583 -1.917 1.00 0.00 N ATOM 757 CA SER A 46 -11.129 -12.585 -1.372 1.00 0.00 C ATOM 758 C SER A 46 -9.686 -12.084 -1.351 1.00 0.00 C ATOM 759 O SER A 46 -8.935 -12.464 -0.463 1.00 0.00 O ATOM 760 CB SER A 46 -11.255 -13.848 -2.243 1.00 0.00 C ATOM 761 OG SER A 46 -10.570 -14.979 -1.725 1.00 0.00 O ATOM 0 H SER A 46 -12.598 -11.958 -2.677 1.00 0.00 H new ATOM 0 HA SER A 46 -11.399 -12.804 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.311 -14.096 -2.355 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.872 -13.629 -3.240 1.00 0.00 H new ATOM 0 HG SER A 46 -10.695 -15.742 -2.328 1.00 0.00 H new ATOM 767 N GLY A 47 -9.295 -11.200 -2.271 1.00 0.00 N ATOM 768 CA GLY A 47 -7.993 -10.564 -2.212 1.00 0.00 C ATOM 769 C GLY A 47 -7.791 -9.838 -0.886 1.00 0.00 C ATOM 770 O GLY A 47 -6.872 -10.146 -0.128 1.00 0.00 O ATOM 0 H GLY A 47 -9.868 -10.913 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.213 -11.314 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.894 -9.857 -3.035 1.00 0.00 H new ATOM 774 N LYS A 48 -8.680 -8.889 -0.579 1.00 0.00 N ATOM 775 CA LYS A 48 -8.601 -8.067 0.630 1.00 0.00 C ATOM 776 C LYS A 48 -8.595 -8.932 1.880 1.00 0.00 C ATOM 777 O LYS A 48 -7.903 -8.569 2.827 1.00 0.00 O ATOM 778 CB LYS A 48 -9.758 -7.052 0.673 1.00 0.00 C ATOM 779 CG LYS A 48 -9.520 -5.926 -0.343 1.00 0.00 C ATOM 780 CD LYS A 48 -10.807 -5.283 -0.866 1.00 0.00 C ATOM 781 CE LYS A 48 -11.614 -4.500 0.178 1.00 0.00 C ATOM 782 NZ LYS A 48 -12.621 -3.648 -0.487 1.00 0.00 N ATOM 0 H LYS A 48 -9.482 -8.668 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.662 -7.515 0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.700 -7.555 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.846 -6.633 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.903 -5.156 0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.955 -6.324 -1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.552 -4.610 -1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.442 -6.065 -1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.107 -5.192 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.945 -3.883 0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.696 -2.741 0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.333 -3.474 -1.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.544 -4.128 -0.475 1.00 0.00 H new ATOM 796 N LYS A 49 -9.270 -10.091 1.881 1.00 0.00 N ATOM 797 CA LYS A 49 -9.356 -10.942 3.067 1.00 0.00 C ATOM 798 C LYS A 49 -7.929 -11.284 3.523 1.00 0.00 C ATOM 799 O LYS A 49 -7.647 -11.282 4.717 1.00 0.00 O ATOM 800 CB LYS A 49 -10.233 -12.179 2.791 1.00 0.00 C ATOM 801 CG LYS A 49 -9.459 -13.445 2.445 1.00 0.00 C ATOM 802 CD LYS A 49 -10.278 -14.584 1.842 1.00 0.00 C ATOM 803 CE LYS A 49 -11.556 -14.890 2.624 1.00 0.00 C ATOM 804 NZ LYS A 49 -12.299 -16.005 2.010 1.00 0.00 N ATOM 0 H LYS A 49 -9.765 -10.458 1.068 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.850 -10.419 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.848 -12.374 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.913 -11.950 1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.666 -13.183 1.744 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.976 -13.811 3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.541 -14.329 0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.662 -15.482 1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.304 -15.140 3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.188 -14.002 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.162 -16.192 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.558 -15.754 1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.702 -16.857 2.002 1.00 0.00 H new ATOM 818 N SER A 50 -7.036 -11.551 2.566 1.00 0.00 N ATOM 819 CA SER A 50 -5.696 -12.031 2.818 1.00 0.00 C ATOM 820 C SER A 50 -4.837 -10.931 3.425 1.00 0.00 C ATOM 821 O SER A 50 -3.934 -11.217 4.208 1.00 0.00 O ATOM 822 CB SER A 50 -5.094 -12.518 1.491 1.00 0.00 C ATOM 823 OG SER A 50 -4.364 -13.706 1.702 1.00 0.00 O ATOM 0 H SER A 50 -7.241 -11.433 1.574 1.00 0.00 H new ATOM 0 HA SER A 50 -5.729 -12.854 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.887 -12.693 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.443 -11.750 1.074 1.00 0.00 H new ATOM 0 HG SER A 50 -3.984 -14.012 0.852 1.00 0.00 H new ATOM 829 N ILE A 51 -5.116 -9.678 3.077 1.00 0.00 N ATOM 830 CA ILE A 51 -4.353 -8.520 3.503 1.00 0.00 C ATOM 831 C ILE A 51 -4.576 -8.323 5.008 1.00 0.00 C ATOM 832 O ILE A 51 -3.625 -8.142 5.768 1.00 0.00 O ATOM 833 CB ILE A 51 -4.797 -7.295 2.671 1.00 0.00 C ATOM 834 CG1 ILE A 51 -4.652 -7.559 1.156 1.00 0.00 C ATOM 835 CG2 ILE A 51 -3.956 -6.081 3.046 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.077 -6.387 0.267 1.00 0.00 C ATOM 0 H ILE A 51 -5.903 -9.439 2.473 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.284 -8.657 3.337 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.848 -7.107 2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.612 -7.805 0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.247 -8.433 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.274 -5.222 2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.086 -5.862 4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.905 -6.290 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.943 -6.657 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.126 -6.153 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.465 -5.515 0.498 1.00 0.00 H new ATOM 848 N VAL A 52 -5.819 -8.462 5.478 1.00 0.00 N ATOM 849 CA VAL A 52 -6.148 -8.401 6.904 1.00 0.00 C ATOM 850 C VAL A 52 -5.451 -9.527 7.686 1.00 0.00 C ATOM 851 O VAL A 52 -5.415 -9.488 8.918 1.00 0.00 O ATOM 852 CB VAL A 52 -7.679 -8.449 7.114 1.00 0.00 C ATOM 853 CG1 VAL A 52 -8.087 -7.935 8.505 1.00 0.00 C ATOM 854 CG2 VAL A 52 -8.432 -7.580 6.105 1.00 0.00 C ATOM 0 H VAL A 52 -6.628 -8.621 4.877 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.779 -7.452 7.292 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.941 -9.500 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.171 -7.987 8.609 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.619 -8.552 9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.760 -6.902 8.621 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.503 -7.648 6.294 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.110 -6.543 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.220 -7.929 5.094 1.00 0.00 H new ATOM 864 N LYS A 53 -4.889 -10.541 7.020 1.00 0.00 N ATOM 865 CA LYS A 53 -4.164 -11.615 7.679 1.00 0.00 C ATOM 866 C LYS A 53 -2.652 -11.521 7.450 1.00 0.00 C ATOM 867 O LYS A 53 -1.926 -12.294 8.073 1.00 0.00 O ATOM 868 CB LYS A 53 -4.703 -12.983 7.221 1.00 0.00 C ATOM 869 CG LYS A 53 -5.972 -13.458 7.953 1.00 0.00 C ATOM 870 CD LYS A 53 -7.278 -12.886 7.391 1.00 0.00 C ATOM 871 CE LYS A 53 -8.492 -13.248 8.257 1.00 0.00 C ATOM 872 NZ LYS A 53 -8.875 -14.671 8.159 1.00 0.00 N ATOM 0 H LYS A 53 -4.928 -10.634 6.005 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.329 -11.510 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.914 -12.935 6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.921 -13.730 7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.017 -14.546 7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.893 -13.185 9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.196 -11.801 7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.431 -13.262 6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.272 -13.009 9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.339 -12.629 7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.700 -14.851 8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.114 -14.899 7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.081 -15.266 8.469 1.00 0.00 H new ATOM 886 N GLU A 54 -2.149 -10.631 6.588 1.00 0.00 N ATOM 887 CA GLU A 54 -0.745 -10.633 6.190 1.00 0.00 C ATOM 888 C GLU A 54 0.143 -9.749 7.061 1.00 0.00 C ATOM 889 O GLU A 54 1.363 -9.910 7.032 1.00 0.00 O ATOM 890 CB GLU A 54 -0.626 -10.288 4.704 1.00 0.00 C ATOM 891 CG GLU A 54 -0.612 -8.815 4.293 1.00 0.00 C ATOM 892 CD GLU A 54 -0.312 -8.691 2.802 1.00 0.00 C ATOM 893 OE1 GLU A 54 -0.955 -9.425 2.012 1.00 0.00 O ATOM 894 OE2 GLU A 54 0.593 -7.894 2.479 1.00 0.00 O ATOM 0 H GLU A 54 -2.703 -9.895 6.151 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.366 -11.643 6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.291 -10.744 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.456 -10.768 4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.575 -8.357 4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.139 -8.275 4.869 1.00 0.00 H new ATOM 901 N ASN A 55 -0.456 -8.858 7.855 1.00 0.00 N ATOM 902 CA ASN A 55 0.239 -7.841 8.642 1.00 0.00 C ATOM 903 C ASN A 55 1.079 -6.950 7.720 1.00 0.00 C ATOM 904 O ASN A 55 2.297 -6.830 7.873 1.00 0.00 O ATOM 905 CB ASN A 55 1.048 -8.444 9.810 1.00 0.00 C ATOM 906 CG ASN A 55 0.285 -9.494 10.602 1.00 0.00 C ATOM 907 OD1 ASN A 55 -0.821 -9.237 11.075 1.00 0.00 O ATOM 908 ND2 ASN A 55 0.833 -10.690 10.746 1.00 0.00 N ATOM 0 H ASN A 55 -1.469 -8.825 7.970 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.508 -7.209 9.122 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.961 -8.891 9.416 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.351 -7.642 10.483 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.337 -11.420 11.257 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.751 -10.882 10.346 1.00 0.00 H new ATOM 915 N VAL A 56 0.416 -6.295 6.763 1.00 0.00 N ATOM 916 CA VAL A 56 0.960 -5.131 6.059 1.00 0.00 C ATOM 917 C VAL A 56 1.526 -4.163 7.096 1.00 0.00 C ATOM 918 O VAL A 56 0.952 -3.969 8.166 1.00 0.00 O ATOM 919 CB VAL A 56 -0.122 -4.411 5.227 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.508 -3.656 4.057 1.00 0.00 C ATOM 921 CG2 VAL A 56 -1.218 -5.301 4.646 1.00 0.00 C ATOM 0 H VAL A 56 -0.519 -6.559 6.453 1.00 0.00 H new ATOM 0 HA VAL A 56 1.736 -5.469 5.373 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.594 -3.748 5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.273 -3.156 3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.210 -2.914 4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.037 -4.359 3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.922 -4.690 4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.771 -6.044 3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.744 -5.806 5.456 1.00 0.00 H new ATOM 931 N ASN A 57 2.665 -3.569 6.777 1.00 0.00 N ATOM 932 CA ASN A 57 3.253 -2.492 7.549 1.00 0.00 C ATOM 933 C ASN A 57 2.435 -1.228 7.318 1.00 0.00 C ATOM 934 O ASN A 57 1.997 -0.577 8.266 1.00 0.00 O ATOM 935 CB ASN A 57 4.714 -2.329 7.123 1.00 0.00 C ATOM 936 CG ASN A 57 5.615 -2.463 8.332 1.00 0.00 C ATOM 937 OD1 ASN A 57 5.702 -3.539 8.915 1.00 0.00 O ATOM 938 ND2 ASN A 57 6.277 -1.403 8.724 1.00 0.00 N ATOM 0 H ASN A 57 3.215 -3.829 5.958 1.00 0.00 H new ATOM 0 HA ASN A 57 3.240 -2.707 8.618 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.972 -3.083 6.379 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.860 -1.356 6.654 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.889 -1.456 9.538 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.181 -0.524 8.215 1.00 0.00 H new ATOM 945 N ALA A 58 2.199 -0.892 6.048 1.00 0.00 N ATOM 946 CA ALA A 58 1.568 0.357 5.668 1.00 0.00 C ATOM 947 C ALA A 58 0.919 0.234 4.283 1.00 0.00 C ATOM 948 O ALA A 58 1.231 -0.687 3.533 1.00 0.00 O ATOM 949 CB ALA A 58 2.657 1.433 5.695 1.00 0.00 C ATOM 0 H ALA A 58 2.444 -1.487 5.257 1.00 0.00 H new ATOM 0 HA ALA A 58 0.767 0.621 6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.226 2.394 5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.075 1.502 6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.446 1.170 4.991 1.00 0.00 H new ATOM 955 N ILE A 59 0.026 1.149 3.916 1.00 0.00 N ATOM 956 CA ILE A 59 -0.581 1.241 2.591 1.00 0.00 C ATOM 957 C ILE A 59 -0.098 2.547 1.946 1.00 0.00 C ATOM 958 O ILE A 59 0.143 3.533 2.650 1.00 0.00 O ATOM 959 CB ILE A 59 -2.125 1.176 2.712 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.589 -0.090 3.472 1.00 0.00 C ATOM 961 CG2 ILE A 59 -2.768 1.202 1.314 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.043 -0.010 3.944 1.00 0.00 C ATOM 0 H ILE A 59 -0.306 1.872 4.555 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.283 0.405 1.958 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.445 2.049 3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.471 -0.959 2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.942 -0.246 4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.853 1.156 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.489 2.123 0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.419 0.346 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.306 -0.928 4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.161 0.840 4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.699 0.116 3.082 1.00 0.00 H new ATOM 974 N ILE A 60 -0.005 2.568 0.614 1.00 0.00 N ATOM 975 CA ILE A 60 0.172 3.758 -0.209 1.00 0.00 C ATOM 976 C ILE A 60 -1.044 3.795 -1.134 1.00 0.00 C ATOM 977 O ILE A 60 -1.271 2.842 -1.886 1.00 0.00 O ATOM 978 CB ILE A 60 1.502 3.712 -1.001 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.686 3.518 -0.037 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.670 5.002 -1.823 1.00 0.00 C ATOM 981 CD1 ILE A 60 4.073 3.454 -0.685 1.00 0.00 C ATOM 0 H ILE A 60 -0.054 1.714 0.058 1.00 0.00 H new ATOM 0 HA ILE A 60 0.236 4.661 0.398 1.00 0.00 H new ATOM 0 HB ILE A 60 1.480 2.867 -1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.680 4.336 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.526 2.597 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.608 4.961 -2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.840 5.098 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.682 5.862 -1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.829 3.316 0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.110 2.618 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.267 4.383 -1.221 1.00 0.00 H new ATOM 993 N CYS A 61 -1.811 4.881 -1.082 1.00 0.00 N ATOM 994 CA CYS A 61 -2.857 5.189 -2.042 1.00 0.00 C ATOM 995 C CYS A 61 -2.892 6.698 -2.257 1.00 0.00 C ATOM 996 O CYS A 61 -2.338 7.459 -1.465 1.00 0.00 O ATOM 997 CB CYS A 61 -4.219 4.683 -1.536 1.00 0.00 C ATOM 998 SG CYS A 61 -4.596 5.325 0.127 1.00 0.00 S ATOM 0 H CYS A 61 -1.717 5.586 -0.351 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.647 4.689 -2.988 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.002 4.987 -2.231 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.218 3.593 -1.515 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.933 6.425 0.328 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.630 7.154 -3.269 1.00 0.00 N ATOM 1005 CA LYS A 62 -4.145 8.519 -3.246 1.00 0.00 C ATOM 1006 C LYS A 62 -5.258 8.608 -2.209 1.00 0.00 C ATOM 1007 O LYS A 62 -5.159 9.407 -1.291 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.687 8.947 -4.615 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.636 9.032 -5.724 1.00 0.00 C ATOM 1010 CD LYS A 62 -4.289 9.560 -7.009 1.00 0.00 C ATOM 1011 CE LYS A 62 -3.474 9.305 -8.284 1.00 0.00 C ATOM 1012 NZ LYS A 62 -2.310 10.200 -8.429 1.00 0.00 N ATOM 0 H LYS A 62 -3.879 6.612 -4.096 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.325 9.190 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.460 8.242 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.166 9.921 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.823 9.691 -5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.200 8.049 -5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.270 9.097 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.452 10.633 -6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.129 8.271 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.124 9.424 -9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.916 10.105 -9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.607 11.184 -8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.585 9.943 -7.729 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.307 7.792 -2.332 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.525 8.001 -1.558 1.00 0.00 C ATOM 1028 C ASN A 63 -8.096 6.680 -1.092 1.00 0.00 C ATOM 1029 O ASN A 63 -7.787 5.623 -1.653 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.575 8.777 -2.370 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.246 10.262 -2.428 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -8.360 10.965 -1.428 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -7.837 10.753 -3.582 1.00 0.00 N ATOM 0 H ASN A 63 -6.335 6.986 -2.957 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.263 8.597 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.625 8.374 -3.382 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.559 8.638 -1.922 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.605 11.743 -3.662 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.753 10.143 -4.395 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.943 6.762 -0.076 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.478 5.655 0.681 1.00 0.00 C ATOM 1042 C ILE A 64 -10.841 6.110 1.220 1.00 0.00 C ATOM 1043 O ILE A 64 -10.964 7.163 1.834 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.442 5.245 1.759 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -8.991 4.084 2.612 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -7.940 6.423 2.621 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -8.043 3.631 3.722 1.00 0.00 C ATOM 0 H ILE A 64 -9.292 7.661 0.257 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.648 4.754 0.092 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.555 4.897 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.938 4.389 3.058 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.204 3.236 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.219 6.058 3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.463 7.165 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.783 6.879 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.499 2.812 4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.104 3.293 3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.849 4.464 4.397 1.00 0.00 H new ATOM 1059 N SER A 65 -11.875 5.316 0.960 1.00 0.00 N ATOM 1060 CA SER A 65 -13.211 5.449 1.527 1.00 0.00 C ATOM 1061 C SER A 65 -13.137 5.473 3.055 1.00 0.00 C ATOM 1062 O SER A 65 -12.369 4.698 3.637 1.00 0.00 O ATOM 1063 CB SER A 65 -14.043 4.232 1.101 1.00 0.00 C ATOM 1064 OG SER A 65 -13.827 3.896 -0.264 1.00 0.00 O ATOM 0 H SER A 65 -11.800 4.526 0.319 1.00 0.00 H new ATOM 0 HA SER A 65 -13.662 6.376 1.173 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.788 3.379 1.730 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.101 4.441 1.261 1.00 0.00 H new ATOM 0 HG SER A 65 -14.639 3.489 -0.633 1.00 0.00 H new ATOM 1070 N GLU A 66 -13.996 6.274 3.682 1.00 0.00 N ATOM 1071 CA GLU A 66 -14.093 6.472 5.123 1.00 0.00 C ATOM 1072 C GLU A 66 -14.122 5.137 5.871 1.00 0.00 C ATOM 1073 O GLU A 66 -13.361 4.937 6.821 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.365 7.300 5.403 1.00 0.00 C ATOM 1075 CG GLU A 66 -15.538 7.782 6.847 1.00 0.00 C ATOM 1076 CD GLU A 66 -14.564 8.881 7.270 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -13.495 9.069 6.648 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -14.836 9.510 8.316 1.00 0.00 O ATOM 0 H GLU A 66 -14.679 6.831 3.169 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.214 7.006 5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.362 8.170 4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.234 6.700 5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.557 8.148 6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.419 6.931 7.517 1.00 0.00 H new ATOM 1085 N GLU A 67 -14.982 4.210 5.430 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.201 2.958 6.141 1.00 0.00 C ATOM 1087 C GLU A 67 -13.918 2.129 6.181 1.00 0.00 C ATOM 1088 O GLU A 67 -13.575 1.554 7.217 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.344 2.141 5.508 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.141 1.487 6.655 1.00 0.00 C ATOM 1091 CD GLU A 67 -18.094 0.371 6.218 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -19.078 0.657 5.500 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -17.916 -0.790 6.664 1.00 0.00 O ATOM 0 H GLU A 67 -15.536 4.311 4.580 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.491 3.207 7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.990 2.785 4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.945 1.380 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.438 1.081 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.717 2.259 7.165 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.197 2.083 5.055 1.00 0.00 N ATOM 1101 CA ASN A 68 -11.943 1.346 4.954 1.00 0.00 C ATOM 1102 C ASN A 68 -10.872 2.003 5.791 1.00 0.00 C ATOM 1103 O ASN A 68 -10.162 1.279 6.481 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.429 1.228 3.512 1.00 0.00 C ATOM 1105 CG ASN A 68 -11.964 -0.003 2.803 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -12.267 -1.022 3.419 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.063 0.071 1.495 1.00 0.00 N ATOM 0 H ASN A 68 -13.470 2.556 4.193 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.157 0.342 5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.716 2.119 2.953 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.340 1.194 3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.399 -0.732 0.963 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.804 0.931 1.012 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.748 3.333 5.760 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.757 4.030 6.566 1.00 0.00 C ATOM 1116 C TYR A 69 -9.925 3.601 8.017 1.00 0.00 C ATOM 1117 O TYR A 69 -9.023 3.008 8.609 1.00 0.00 O ATOM 1118 CB TYR A 69 -9.861 5.549 6.372 1.00 0.00 C ATOM 1119 CG TYR A 69 -8.767 6.284 7.124 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -8.909 6.532 8.500 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -7.577 6.653 6.471 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -7.851 7.084 9.237 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -6.518 7.226 7.195 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.643 7.434 8.587 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.592 7.949 9.278 1.00 0.00 O ATOM 0 H TYR A 69 -11.325 3.944 5.183 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.750 3.762 6.246 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.796 5.786 5.310 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.836 5.895 6.717 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.840 6.296 8.994 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.477 6.495 5.407 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.958 7.242 10.300 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.607 7.508 6.687 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.851 8.126 8.662 1.00 0.00 H new ATOM 1135 N LYS A 70 -11.115 3.805 8.568 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.444 3.523 9.961 1.00 0.00 C ATOM 1137 C LYS A 70 -11.356 2.033 10.325 1.00 0.00 C ATOM 1138 O LYS A 70 -11.370 1.709 11.510 1.00 0.00 O ATOM 1139 CB LYS A 70 -12.862 4.050 10.207 1.00 0.00 C ATOM 1140 CG LYS A 70 -12.902 5.581 10.182 1.00 0.00 C ATOM 1141 CD LYS A 70 -14.331 6.062 10.414 1.00 0.00 C ATOM 1142 CE LYS A 70 -14.334 7.578 10.571 1.00 0.00 C ATOM 1143 NZ LYS A 70 -15.687 8.110 10.812 1.00 0.00 N ATOM 0 H LYS A 70 -11.903 4.183 8.042 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.710 4.017 10.598 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.536 3.655 9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.223 3.691 11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.243 5.984 10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.536 5.948 9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.965 5.771 9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.745 5.592 11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.683 7.857 11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.920 8.035 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.938 8.776 10.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.371 7.327 10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.708 8.603 11.727 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.284 1.134 9.340 1.00 0.00 N ATOM 1158 CA LYS A 71 -11.110 -0.299 9.517 1.00 0.00 C ATOM 1159 C LYS A 71 -9.620 -0.645 9.507 1.00 0.00 C ATOM 1160 O LYS A 71 -9.112 -1.213 10.473 1.00 0.00 O ATOM 1161 CB LYS A 71 -11.915 -0.985 8.400 1.00 0.00 C ATOM 1162 CG LYS A 71 -12.072 -2.499 8.538 1.00 0.00 C ATOM 1163 CD LYS A 71 -13.177 -2.976 7.580 1.00 0.00 C ATOM 1164 CE LYS A 71 -13.664 -4.369 7.989 1.00 0.00 C ATOM 1165 NZ LYS A 71 -14.762 -4.862 7.132 1.00 0.00 N ATOM 0 H LYS A 71 -11.349 1.402 8.358 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.483 -0.652 10.479 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.908 -0.536 8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.433 -0.773 7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.131 -2.998 8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.326 -2.759 9.566 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.010 -2.273 7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.798 -3.000 6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.830 -5.069 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.001 -4.342 9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.054 -5.808 7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.570 -4.211 7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.436 -4.915 6.146 1.00 0.00 H new ATOM 1179 N PHE A 72 -8.913 -0.309 8.425 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.524 -0.721 8.201 1.00 0.00 C ATOM 1181 C PHE A 72 -6.544 0.018 9.114 1.00 0.00 C ATOM 1182 O PHE A 72 -5.505 -0.545 9.468 1.00 0.00 O ATOM 1183 CB PHE A 72 -7.134 -0.535 6.723 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.582 -1.675 5.822 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -8.874 -1.687 5.265 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -6.703 -2.738 5.539 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -9.281 -2.753 4.445 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -7.120 -3.820 4.743 1.00 0.00 C ATOM 1189 CZ PHE A 72 -8.413 -3.830 4.195 1.00 0.00 C ATOM 0 H PHE A 72 -9.293 0.263 7.671 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.460 -1.780 8.452 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.566 0.396 6.357 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.051 -0.433 6.653 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -9.555 -0.874 5.468 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.699 -2.722 5.937 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.267 -2.745 4.004 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.446 -4.643 4.553 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.738 -4.660 3.585 1.00 0.00 H new ATOM 1199 N SER A 73 -6.879 1.237 9.546 1.00 0.00 N ATOM 1200 CA SER A 73 -6.024 2.067 10.397 1.00 0.00 C ATOM 1201 C SER A 73 -5.693 1.435 11.757 1.00 0.00 C ATOM 1202 O SER A 73 -4.802 1.918 12.461 1.00 0.00 O ATOM 1203 CB SER A 73 -6.650 3.458 10.581 1.00 0.00 C ATOM 1204 OG SER A 73 -8.009 3.374 10.964 1.00 0.00 O ATOM 0 H SER A 73 -7.766 1.681 9.310 1.00 0.00 H new ATOM 0 HA SER A 73 -5.071 2.157 9.876 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.092 4.011 11.337 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.568 4.020 9.650 1.00 0.00 H new ATOM 0 HG SER A 73 -8.579 3.472 10.173 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.375 0.351 12.142 1.00 0.00 N ATOM 1211 CA LYS A 74 -6.186 -0.292 13.434 1.00 0.00 C ATOM 1212 C LYS A 74 -4.742 -0.745 13.650 1.00 0.00 C ATOM 1213 O LYS A 74 -4.220 -0.548 14.747 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.217 -1.425 13.595 1.00 0.00 C ATOM 1215 CG LYS A 74 -7.258 -1.953 15.039 1.00 0.00 C ATOM 1216 CD LYS A 74 -8.600 -2.572 15.459 1.00 0.00 C ATOM 1217 CE LYS A 74 -8.848 -4.002 14.957 1.00 0.00 C ATOM 1218 NZ LYS A 74 -9.457 -4.084 13.613 1.00 0.00 N ATOM 0 H LYS A 74 -7.077 -0.103 11.557 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.365 0.436 14.225 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.205 -1.062 13.312 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.971 -2.241 12.916 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.475 -2.701 15.160 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.023 -1.133 15.718 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.657 -2.572 16.548 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.405 -1.933 15.097 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.899 -4.539 14.945 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.496 -4.515 15.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.590 -5.082 13.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.379 -3.602 13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.832 -3.625 12.920 1.00 0.00 H new ATOM 1232 N LYS A 75 -4.076 -1.337 12.655 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.718 -1.893 12.821 1.00 0.00 C ATOM 1234 C LYS A 75 -1.864 -1.685 11.570 1.00 0.00 C ATOM 1235 O LYS A 75 -0.853 -2.363 11.399 1.00 0.00 O ATOM 1236 CB LYS A 75 -2.817 -3.384 13.214 1.00 0.00 C ATOM 1237 CG LYS A 75 -1.954 -3.817 14.425 1.00 0.00 C ATOM 1238 CD LYS A 75 -0.547 -4.389 14.153 1.00 0.00 C ATOM 1239 CE LYS A 75 0.571 -3.339 14.062 1.00 0.00 C ATOM 1240 NZ LYS A 75 1.916 -3.962 14.040 1.00 0.00 N ATOM 0 H LYS A 75 -4.455 -1.447 11.714 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.213 -1.356 13.624 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.860 -3.615 13.433 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.531 -3.988 12.353 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.841 -2.952 15.079 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.516 -4.567 14.982 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.298 -5.096 14.945 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.574 -4.952 13.220 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.434 -2.740 13.162 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.500 -2.659 14.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.642 -3.219 13.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.058 -4.513 14.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.994 -4.591 13.216 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.310 -0.832 10.651 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.643 -0.533 9.392 1.00 0.00 C ATOM 1256 C ILE A 76 -1.715 0.985 9.220 1.00 0.00 C ATOM 1257 O ILE A 76 -2.737 1.607 9.529 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.312 -1.284 8.214 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.488 -2.801 8.463 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.468 -1.069 6.947 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.402 -3.483 7.445 1.00 0.00 C ATOM 0 H ILE A 76 -3.179 -0.312 10.770 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.606 -0.868 9.401 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.315 -0.873 8.101 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.510 -3.281 8.440 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.894 -2.952 9.463 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.929 -1.593 6.110 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.413 -0.004 6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.463 -1.457 7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.480 -4.544 7.680 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.392 -3.029 7.483 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.986 -3.363 6.445 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.639 1.587 8.725 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.518 3.030 8.558 1.00 0.00 C ATOM 1275 C GLU A 77 -0.771 3.378 7.094 1.00 0.00 C ATOM 1276 O GLU A 77 -0.606 2.529 6.222 1.00 0.00 O ATOM 1277 CB GLU A 77 0.858 3.453 9.081 1.00 0.00 C ATOM 1278 CG GLU A 77 0.860 3.196 10.599 1.00 0.00 C ATOM 1279 CD GLU A 77 2.218 3.320 11.270 1.00 0.00 C ATOM 1280 OE1 GLU A 77 2.802 4.425 11.291 1.00 0.00 O ATOM 1281 OE2 GLU A 77 2.638 2.336 11.922 1.00 0.00 O ATOM 0 H GLU A 77 0.190 1.075 8.423 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.260 3.585 9.133 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.648 2.883 8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.045 4.505 8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.173 3.897 11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.471 2.195 10.783 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.243 4.589 6.802 1.00 0.00 N ATOM 1289 CA ILE A 78 -1.897 4.893 5.531 1.00 0.00 C ATOM 1290 C ILE A 78 -1.260 6.173 4.998 1.00 0.00 C ATOM 1291 O ILE A 78 -1.369 7.236 5.616 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.438 4.954 5.714 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -3.975 3.638 6.335 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -4.115 5.218 4.355 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.475 3.593 6.622 1.00 0.00 C ATOM 0 H ILE A 78 -1.183 5.384 7.438 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.749 4.111 4.786 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.674 5.770 6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.730 2.816 5.662 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.442 3.456 7.268 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.196 5.260 4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.762 6.167 3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.866 4.414 3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.734 2.626 7.054 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.735 4.385 7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.028 3.735 5.693 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.546 6.050 3.877 1.00 0.00 N ATOM 1308 CA TYR A 79 0.319 7.084 3.333 1.00 0.00 C ATOM 1309 C TYR A 79 -0.178 7.546 1.967 1.00 0.00 C ATOM 1310 O TYR A 79 -0.804 6.784 1.222 1.00 0.00 O ATOM 1311 CB TYR A 79 1.753 6.556 3.268 1.00 0.00 C ATOM 1312 CG TYR A 79 2.424 6.405 4.622 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.244 5.260 5.429 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.247 7.447 5.076 1.00 0.00 C ATOM 1315 CE1 TYR A 79 2.941 5.137 6.646 1.00 0.00 C ATOM 1316 CE2 TYR A 79 3.917 7.345 6.303 1.00 0.00 C ATOM 1317 CZ TYR A 79 3.784 6.181 7.086 1.00 0.00 C ATOM 1318 OH TYR A 79 4.446 6.104 8.272 1.00 0.00 O ATOM 0 H TYR A 79 -0.558 5.202 3.311 1.00 0.00 H new ATOM 0 HA TYR A 79 0.300 7.957 3.986 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.749 5.588 2.767 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.349 7.231 2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.571 4.477 5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.365 8.336 4.474 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.831 4.244 7.243 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.536 8.160 6.649 1.00 0.00 H new ATOM 0 HH TYR A 79 4.978 6.917 8.403 1.00 0.00 H new ATOM 1328 N HIS A 80 0.116 8.807 1.660 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.444 9.554 0.554 1.00 0.00 C ATOM 1330 C HIS A 80 0.528 9.555 -0.617 1.00 0.00 C ATOM 1331 O HIS A 80 1.669 10.002 -0.480 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.741 10.983 1.017 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.746 11.689 0.142 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.643 12.965 -0.365 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.964 11.198 -0.239 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -2.795 13.246 -0.998 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.635 12.202 -0.942 1.00 0.00 N ATOM 0 H HIS A 80 0.782 9.354 2.205 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.372 9.088 0.223 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.114 10.957 2.041 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.187 11.555 1.030 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.341 10.207 -0.033 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.014 14.185 -1.485 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.575 12.151 -1.334 1.00 0.00 H new ATOM 1345 N ALA A 81 0.079 9.022 -1.749 1.00 0.00 N ATOM 1346 CA ALA A 81 0.894 8.871 -2.939 1.00 0.00 C ATOM 1347 C ALA A 81 1.233 10.226 -3.571 1.00 0.00 C ATOM 1348 O ALA A 81 0.351 11.071 -3.760 1.00 0.00 O ATOM 1349 CB ALA A 81 0.158 7.986 -3.950 1.00 0.00 C ATOM 0 H ALA A 81 -0.875 8.680 -1.862 1.00 0.00 H new ATOM 0 HA ALA A 81 1.834 8.401 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.769 7.871 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.027 7.007 -3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.792 8.450 -4.216 1.00 0.00 H new ATOM 1355 N GLU A 82 2.475 10.372 -4.022 1.00 0.00 N ATOM 1356 CA GLU A 82 3.005 11.486 -4.795 1.00 0.00 C ATOM 1357 C GLU A 82 3.108 11.077 -6.265 1.00 0.00 C ATOM 1358 O GLU A 82 4.041 10.376 -6.664 1.00 0.00 O ATOM 1359 CB GLU A 82 4.381 11.898 -4.238 1.00 0.00 C ATOM 1360 CG GLU A 82 4.256 12.988 -3.168 1.00 0.00 C ATOM 1361 CD GLU A 82 3.874 14.356 -3.748 1.00 0.00 C ATOM 1362 OE1 GLU A 82 3.436 14.457 -4.915 1.00 0.00 O ATOM 1363 OE2 GLU A 82 4.020 15.384 -3.046 1.00 0.00 O ATOM 0 H GLU A 82 3.187 9.664 -3.843 1.00 0.00 H new ATOM 0 HA GLU A 82 2.337 12.344 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.877 11.026 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.010 12.258 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.506 12.687 -2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.203 13.077 -2.635 1.00 0.00 H new ATOM 1370 N GLY A 83 2.131 11.471 -7.079 1.00 0.00 N ATOM 1371 CA GLY A 83 2.081 11.119 -8.490 1.00 0.00 C ATOM 1372 C GLY A 83 1.512 9.716 -8.682 1.00 0.00 C ATOM 1373 O GLY A 83 1.108 9.050 -7.726 1.00 0.00 O ATOM 0 H GLY A 83 1.348 12.048 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.467 11.841 -9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.082 11.171 -8.918 1.00 0.00 H new ATOM 1377 N ASP A 84 1.436 9.279 -9.935 1.00 0.00 N ATOM 1378 CA ASP A 84 0.979 7.933 -10.302 1.00 0.00 C ATOM 1379 C ASP A 84 2.132 6.938 -10.240 1.00 0.00 C ATOM 1380 O ASP A 84 1.919 5.725 -10.326 1.00 0.00 O ATOM 1381 CB ASP A 84 0.361 7.947 -11.713 1.00 0.00 C ATOM 1382 CG ASP A 84 -1.042 8.551 -11.771 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -1.467 9.264 -10.834 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -1.749 8.311 -12.774 1.00 0.00 O ATOM 0 H ASP A 84 1.692 9.853 -10.738 1.00 0.00 H new ATOM 0 HA ASP A 84 0.217 7.621 -9.587 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.015 8.509 -12.380 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.322 6.926 -12.091 1.00 0.00 H new ATOM 1389 N ASP A 85 3.350 7.458 -10.100 1.00 0.00 N ATOM 1390 CA ASP A 85 4.573 6.706 -10.254 1.00 0.00 C ATOM 1391 C ASP A 85 4.812 5.822 -9.042 1.00 0.00 C ATOM 1392 O ASP A 85 5.252 6.284 -7.984 1.00 0.00 O ATOM 1393 CB ASP A 85 5.769 7.626 -10.486 1.00 0.00 C ATOM 1394 CG ASP A 85 6.744 6.995 -11.459 1.00 0.00 C ATOM 1395 OD1 ASP A 85 6.973 5.769 -11.363 1.00 0.00 O ATOM 1396 OD2 ASP A 85 7.243 7.779 -12.303 1.00 0.00 O ATOM 0 H ASP A 85 3.507 8.439 -9.871 1.00 0.00 H new ATOM 0 HA ASP A 85 4.463 6.073 -11.134 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.427 8.585 -10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.270 7.827 -9.539 1.00 0.00 H new ATOM 1401 N VAL A 86 4.523 4.537 -9.193 1.00 0.00 N ATOM 1402 CA VAL A 86 4.859 3.525 -8.208 1.00 0.00 C ATOM 1403 C VAL A 86 6.321 3.683 -7.788 1.00 0.00 C ATOM 1404 O VAL A 86 6.602 3.635 -6.592 1.00 0.00 O ATOM 1405 CB VAL A 86 4.570 2.121 -8.780 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.122 0.983 -7.906 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.061 1.919 -8.966 1.00 0.00 C ATOM 0 H VAL A 86 4.043 4.166 -10.013 1.00 0.00 H new ATOM 0 HA VAL A 86 4.242 3.650 -7.318 1.00 0.00 H new ATOM 0 HB VAL A 86 5.084 2.077 -9.740 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.884 0.023 -8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.204 1.085 -7.817 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.670 1.033 -6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.874 0.924 -9.370 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.559 2.020 -8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.676 2.669 -9.657 1.00 0.00 H new ATOM 1417 N ASP A 87 7.242 3.901 -8.726 1.00 0.00 N ATOM 1418 CA ASP A 87 8.667 3.864 -8.431 1.00 0.00 C ATOM 1419 C ASP A 87 9.054 5.048 -7.542 1.00 0.00 C ATOM 1420 O ASP A 87 9.750 4.877 -6.533 1.00 0.00 O ATOM 1421 CB ASP A 87 9.497 3.806 -9.721 1.00 0.00 C ATOM 1422 CG ASP A 87 9.443 2.408 -10.337 1.00 0.00 C ATOM 1423 OD1 ASP A 87 10.279 1.551 -9.967 1.00 0.00 O ATOM 1424 OD2 ASP A 87 8.556 2.146 -11.179 1.00 0.00 O ATOM 0 H ASP A 87 7.021 4.106 -9.701 1.00 0.00 H new ATOM 0 HA ASP A 87 8.889 2.952 -7.877 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.120 4.538 -10.435 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.531 4.074 -9.506 1.00 0.00 H new ATOM 1429 N LYS A 88 8.527 6.245 -7.846 1.00 0.00 N ATOM 1430 CA LYS A 88 8.707 7.431 -7.005 1.00 0.00 C ATOM 1431 C LYS A 88 8.199 7.160 -5.593 1.00 0.00 C ATOM 1432 O LYS A 88 8.810 7.571 -4.613 1.00 0.00 O ATOM 1433 CB LYS A 88 7.979 8.634 -7.651 1.00 0.00 C ATOM 1434 CG LYS A 88 8.218 10.028 -7.039 1.00 0.00 C ATOM 1435 CD LYS A 88 9.690 10.256 -6.691 1.00 0.00 C ATOM 1436 CE LYS A 88 10.171 11.713 -6.656 1.00 0.00 C ATOM 1437 NZ LYS A 88 10.297 12.286 -8.011 1.00 0.00 N ATOM 0 H LYS A 88 7.966 6.414 -8.681 1.00 0.00 H new ATOM 0 HA LYS A 88 9.768 7.671 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.266 8.675 -8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.908 8.434 -7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.889 10.794 -7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.612 10.138 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.882 9.810 -5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.299 9.714 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.472 12.312 -6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.135 11.765 -6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.624 13.271 -7.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.983 11.731 -8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.372 12.261 -8.486 1.00 0.00 H new ATOM 1451 N ASN A 89 7.079 6.460 -5.477 1.00 0.00 N ATOM 1452 CA ASN A 89 6.411 6.266 -4.200 1.00 0.00 C ATOM 1453 C ASN A 89 7.065 5.178 -3.360 1.00 0.00 C ATOM 1454 O ASN A 89 7.089 5.300 -2.139 1.00 0.00 O ATOM 1455 CB ASN A 89 4.943 5.960 -4.473 1.00 0.00 C ATOM 1456 CG ASN A 89 4.223 7.272 -4.673 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.862 7.932 -3.712 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.096 7.718 -5.906 1.00 0.00 N ATOM 0 H ASN A 89 6.610 6.012 -6.264 1.00 0.00 H new ATOM 0 HA ASN A 89 6.497 7.179 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.843 5.331 -5.358 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.507 5.409 -3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.687 8.637 -6.076 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.407 7.145 -6.690 1.00 0.00 H new ATOM 1465 N ILE A 90 7.623 4.138 -3.982 1.00 0.00 N ATOM 1466 CA ILE A 90 8.357 3.088 -3.283 1.00 0.00 C ATOM 1467 C ILE A 90 9.579 3.740 -2.631 1.00 0.00 C ATOM 1468 O ILE A 90 9.815 3.537 -1.440 1.00 0.00 O ATOM 1469 CB ILE A 90 8.728 1.943 -4.264 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.483 1.107 -4.650 1.00 0.00 C ATOM 1471 CG2 ILE A 90 9.813 1.007 -3.689 1.00 0.00 C ATOM 1472 CD1 ILE A 90 7.744 0.019 -5.699 1.00 0.00 C ATOM 0 H ILE A 90 7.577 4.002 -4.992 1.00 0.00 H new ATOM 0 HA ILE A 90 7.750 2.625 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 90 9.130 2.425 -5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.084 0.638 -3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.713 1.780 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.038 0.223 -4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.717 1.581 -3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.452 0.556 -2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.817 -0.515 -5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.112 0.479 -6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.489 -0.681 -5.320 1.00 0.00 H new ATOM 1484 N SER A 91 10.341 4.507 -3.412 1.00 0.00 N ATOM 1485 CA SER A 91 11.564 5.151 -2.964 1.00 0.00 C ATOM 1486 C SER A 91 11.289 6.154 -1.840 1.00 0.00 C ATOM 1487 O SER A 91 11.962 6.107 -0.805 1.00 0.00 O ATOM 1488 CB SER A 91 12.294 5.759 -4.168 1.00 0.00 C ATOM 1489 OG SER A 91 11.436 6.409 -5.093 1.00 0.00 O ATOM 0 H SER A 91 10.117 4.698 -4.389 1.00 0.00 H new ATOM 0 HA SER A 91 12.230 4.408 -2.525 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.033 6.475 -3.809 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.839 4.970 -4.686 1.00 0.00 H new ATOM 0 HG SER A 91 11.071 5.750 -5.720 1.00 0.00 H new ATOM 1495 N LEU A 92 10.265 7.008 -2.001 1.00 0.00 N ATOM 1496 CA LEU A 92 9.899 7.997 -0.989 1.00 0.00 C ATOM 1497 C LEU A 92 9.483 7.299 0.302 1.00 0.00 C ATOM 1498 O LEU A 92 9.816 7.763 1.393 1.00 0.00 O ATOM 1499 CB LEU A 92 8.744 8.883 -1.487 1.00 0.00 C ATOM 1500 CG LEU A 92 9.148 9.939 -2.530 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.894 10.545 -3.171 1.00 0.00 C ATOM 1502 CD2 LEU A 92 9.994 11.060 -1.920 1.00 0.00 C ATOM 0 H LEU A 92 9.675 7.028 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 92 10.769 8.625 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.973 8.244 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.297 9.389 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 92 9.752 9.434 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.187 11.292 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.319 9.759 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.283 11.016 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.255 11.781 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.425 11.559 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.905 10.638 -1.495 1.00 0.00 H new ATOM 1514 N PHE A 93 8.754 6.187 0.190 1.00 0.00 N ATOM 1515 CA PHE A 93 8.298 5.430 1.338 1.00 0.00 C ATOM 1516 C PHE A 93 9.475 4.896 2.155 1.00 0.00 C ATOM 1517 O PHE A 93 9.489 5.099 3.365 1.00 0.00 O ATOM 1518 CB PHE A 93 7.375 4.300 0.885 1.00 0.00 C ATOM 1519 CG PHE A 93 7.035 3.347 2.007 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.283 3.794 3.111 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.540 2.034 1.980 1.00 0.00 C ATOM 1522 CE1 PHE A 93 6.003 2.912 4.166 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.240 1.147 3.022 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.463 1.587 4.111 1.00 0.00 C ATOM 0 H PHE A 93 8.467 5.792 -0.706 1.00 0.00 H new ATOM 0 HA PHE A 93 7.733 6.096 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.456 4.725 0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.852 3.748 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.923 4.812 3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.159 1.710 1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.434 3.252 5.019 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.603 0.130 2.990 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.220 0.901 4.909 1.00 0.00 H new ATOM 1534 N ILE A 94 10.439 4.195 1.548 1.00 0.00 N ATOM 1535 CA ILE A 94 11.633 3.658 2.211 1.00 0.00 C ATOM 1536 C ILE A 94 12.341 4.747 3.041 1.00 0.00 C ATOM 1537 O ILE A 94 12.768 4.471 4.165 1.00 0.00 O ATOM 1538 CB ILE A 94 12.560 2.996 1.156 1.00 0.00 C ATOM 1539 CG1 ILE A 94 11.881 1.758 0.522 1.00 0.00 C ATOM 1540 CG2 ILE A 94 13.915 2.561 1.755 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.427 1.418 -0.870 1.00 0.00 C ATOM 0 H ILE A 94 10.409 3.979 0.552 1.00 0.00 H new ATOM 0 HA ILE A 94 11.342 2.884 2.921 1.00 0.00 H new ATOM 0 HB ILE A 94 12.743 3.754 0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.019 0.899 1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.808 1.936 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.527 2.104 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.431 3.432 2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.745 1.839 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 94 11.910 0.541 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.265 2.262 -1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.495 1.209 -0.801 1.00 0.00 H new ATOM 1553 N GLU A 95 12.447 5.977 2.535 1.00 0.00 N ATOM 1554 CA GLU A 95 13.054 7.108 3.249 1.00 0.00 C ATOM 1555 C GLU A 95 12.097 7.773 4.249 1.00 0.00 C ATOM 1556 O GLU A 95 12.491 8.689 4.979 1.00 0.00 O ATOM 1557 CB GLU A 95 13.575 8.116 2.219 1.00 0.00 C ATOM 1558 CG GLU A 95 14.926 7.652 1.654 1.00 0.00 C ATOM 1559 CD GLU A 95 16.119 8.108 2.508 1.00 0.00 C ATOM 1560 OE1 GLU A 95 16.298 7.633 3.656 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.928 8.932 2.019 1.00 0.00 O ATOM 0 H GLU A 95 12.109 6.222 1.604 1.00 0.00 H new ATOM 0 HA GLU A 95 13.880 6.728 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.853 8.225 1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.685 9.096 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.931 6.564 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.042 8.037 0.641 1.00 0.00 H new ATOM 1568 N GLY A 96 10.847 7.313 4.320 1.00 0.00 N ATOM 1569 CA GLY A 96 9.859 7.741 5.286 1.00 0.00 C ATOM 1570 C GLY A 96 9.310 9.127 4.939 1.00 0.00 C ATOM 1571 O GLY A 96 8.750 9.785 5.814 1.00 0.00 O ATOM 0 H GLY A 96 10.491 6.605 3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.042 7.021 5.318 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.304 7.762 6.281 1.00 0.00 H new ATOM 1575 N GLU A 97 9.539 9.608 3.713 1.00 0.00 N ATOM 1576 CA GLU A 97 9.211 10.932 3.236 1.00 0.00 C ATOM 1577 C GLU A 97 7.712 11.128 2.997 1.00 0.00 C ATOM 1578 O GLU A 97 7.227 12.260 3.048 1.00 0.00 O ATOM 1579 CB GLU A 97 9.969 11.074 1.910 1.00 0.00 C ATOM 1580 CG GLU A 97 10.674 12.407 1.755 1.00 0.00 C ATOM 1581 CD GLU A 97 9.726 13.570 1.439 1.00 0.00 C ATOM 1582 OE1 GLU A 97 9.248 13.679 0.289 1.00 0.00 O ATOM 1583 OE2 GLU A 97 9.489 14.411 2.335 1.00 0.00 O ATOM 0 H GLU A 97 9.986 9.040 2.993 1.00 0.00 H new ATOM 0 HA GLU A 97 9.489 11.680 3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.704 10.273 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.269 10.944 1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.216 12.631 2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.415 12.326 0.959 1.00 0.00 H new ATOM 1590 N LEU A 98 6.978 10.048 2.695 1.00 0.00 N ATOM 1591 CA LEU A 98 5.566 10.181 2.327 1.00 0.00 C ATOM 1592 C LEU A 98 4.773 10.700 3.522 1.00 0.00 C ATOM 1593 O LEU A 98 4.972 10.273 4.667 1.00 0.00 O ATOM 1594 CB LEU A 98 4.950 8.874 1.796 1.00 0.00 C ATOM 1595 CG LEU A 98 5.461 8.393 0.422 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.689 7.130 0.027 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.280 9.439 -0.686 1.00 0.00 C ATOM 0 H LEU A 98 7.332 9.091 2.698 1.00 0.00 H new ATOM 0 HA LEU A 98 5.514 10.895 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.135 8.086 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.870 9.004 1.734 1.00 0.00 H new ATOM 0 HG LEU A 98 6.530 8.203 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.040 6.778 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.853 6.355 0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.625 7.358 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.658 9.041 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.222 9.677 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.831 10.343 -0.427 1.00 0.00 H new ATOM 1609 N SER A 99 3.838 11.607 3.245 1.00 0.00 N ATOM 1610 CA SER A 99 2.923 12.112 4.242 1.00 0.00 C ATOM 1611 C SER A 99 1.859 11.059 4.517 1.00 0.00 C ATOM 1612 O SER A 99 1.414 10.346 3.616 1.00 0.00 O ATOM 1613 CB SER A 99 2.337 13.437 3.765 1.00 0.00 C ATOM 1614 OG SER A 99 3.214 14.472 4.165 1.00 0.00 O ATOM 0 H SER A 99 3.701 12.008 2.317 1.00 0.00 H new ATOM 0 HA SER A 99 3.437 12.310 5.182 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.220 13.434 2.681 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.346 13.591 4.192 1.00 0.00 H new ATOM 0 HG SER A 99 2.858 15.335 3.867 1.00 0.00 H new ATOM 1620 N LYS A 100 1.449 10.953 5.778 1.00 0.00 N ATOM 1621 CA LYS A 100 0.329 10.113 6.176 1.00 0.00 C ATOM 1622 C LYS A 100 -0.960 10.829 5.801 1.00 0.00 C ATOM 1623 O LYS A 100 -1.008 12.063 5.790 1.00 0.00 O ATOM 1624 CB LYS A 100 0.391 9.815 7.681 1.00 0.00 C ATOM 1625 CG LYS A 100 1.681 9.046 7.996 1.00 0.00 C ATOM 1626 CD LYS A 100 1.910 8.763 9.480 1.00 0.00 C ATOM 1627 CE LYS A 100 1.431 7.354 9.832 1.00 0.00 C ATOM 1628 NZ LYS A 100 1.876 6.985 11.183 1.00 0.00 N ATOM 0 H LYS A 100 1.887 11.450 6.553 1.00 0.00 H new ATOM 0 HA LYS A 100 0.371 9.154 5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.361 10.745 8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.477 9.229 7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.663 8.098 7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.529 9.614 7.613 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.969 8.864 9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.377 9.497 10.084 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.343 7.308 9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.819 6.639 9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.933 5.949 11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.813 7.398 11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.197 7.346 11.883 1.00 0.00 H new ATOM 1642 N ILE A 101 -2.004 10.057 5.534 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.364 10.564 5.445 1.00 0.00 C ATOM 1644 C ILE A 101 -3.846 10.736 6.898 1.00 0.00 C ATOM 1645 O ILE A 101 -3.389 10.018 7.796 1.00 0.00 O ATOM 1646 CB ILE A 101 -4.217 9.594 4.578 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.540 9.399 3.194 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.659 10.111 4.423 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.329 8.606 2.147 1.00 0.00 C ATOM 0 H ILE A 101 -1.929 9.053 5.372 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.447 11.528 4.944 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.272 8.629 5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.321 10.384 2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.584 8.899 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.232 9.413 3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.122 10.198 5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.645 11.088 3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.749 8.541 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.526 7.602 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.274 9.110 1.945 1.00 0.00 H new