USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 794 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 NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 110 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 108 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 110 ZNZN :(H bumps) USER MOD Set 1.1: A 82 GLN : amide:sc= 0.467 K(o=0.98,f=-0.13) USER MOD Set 1.2: A 84 TYR OH : rot -13:sc= 0.513 USER MOD Set 2.1: A 74 THR OG1 : rot -64:sc= 0.958 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.829 USER MOD Set 3.1: A 20 ASN : amide:sc= 0.916 K(o=2,f=-4.9) USER MOD Set 3.2: A 44 LYS NZ :NH3+ -167:sc= 1.07 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.09) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.732 K(o=0.73,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.982 K(o=0.98,f=-1.2) USER MOD Single : A 16 THR OG1 : rot 88:sc= 0.568 USER MOD Single : A 17 CYS SG : rot 61:sc= 0.272 USER MOD Single : A 22 SER OG : rot 13:sc= 0.417 USER MOD Single : A 26 ASN : amide:sc= 2.2 K(o=2.2,f=-7.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00684 USER MOD Single : A 34 SER OG : rot -47:sc= 0.104 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -151:sc=-0.00521 (180deg=-1.83) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 1 K(o=1,f=-0.15) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= 1.21 (180deg=1.05) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -170:sc= 0.108 USER MOD Single : A 62 LYS NZ :NH3+ -116:sc= 0.164 (180deg=-0.104) USER MOD Single : A 63 ASN : amide:sc= 0.135 X(o=0.14,f=-0.098) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -24:sc= 0.0534 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -160:sc= -2.48 (180deg=-4.32) USER MOD Single : A 86 MET CE :methyl -171:sc=-0.00305 (180deg=-0.212) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc=0.000196 USER MOD Single : A 107 GLN : amide:sc= 0.986 K(o=0.99,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.096 14.871 -8.590 1.00 0.00 N ATOM 2 CA CYS A 2 -0.646 15.348 -9.888 1.00 0.00 C ATOM 3 C CYS A 2 0.775 14.854 -10.251 1.00 0.00 C ATOM 4 O CYS A 2 1.381 15.310 -11.227 1.00 0.00 O ATOM 5 CB CYS A 2 -0.873 16.888 -9.971 1.00 0.00 C ATOM 6 SG CYS A 2 -0.786 17.848 -8.395 1.00 0.00 S ATOM 0 HA CYS A 2 -1.251 14.903 -10.678 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.134 17.301 -10.658 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.853 17.060 -10.416 1.00 0.00 H new ATOM 11 N GLY A 3 1.317 13.922 -9.458 1.00 0.00 N ATOM 12 CA GLY A 3 2.665 13.346 -9.562 1.00 0.00 C ATOM 13 C GLY A 3 3.735 14.326 -9.070 1.00 0.00 C ATOM 14 O GLY A 3 4.682 13.920 -8.401 1.00 0.00 O ATOM 0 H GLY A 3 0.794 13.525 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.715 12.427 -8.977 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.867 13.076 -10.598 1.00 0.00 H new ATOM 18 N ASP A 4 3.541 15.629 -9.292 1.00 0.00 N ATOM 19 CA ASP A 4 4.370 16.677 -8.691 1.00 0.00 C ATOM 20 C ASP A 4 4.164 16.696 -7.156 1.00 0.00 C ATOM 21 O ASP A 4 5.022 17.205 -6.428 1.00 0.00 O ATOM 22 CB ASP A 4 4.046 18.036 -9.322 1.00 0.00 C ATOM 23 CG ASP A 4 4.694 18.195 -10.708 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.943 18.290 -10.784 1.00 0.00 O ATOM 25 OD2 ASP A 4 3.965 18.254 -11.727 1.00 0.00 O ATOM 0 H ASP A 4 2.802 15.988 -9.896 1.00 0.00 H new ATOM 0 HA ASP A 4 5.421 16.465 -8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.965 18.146 -9.412 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.394 18.833 -8.665 1.00 0.00 H new ATOM 30 N CYS A 5 3.063 16.098 -6.668 1.00 0.00 N ATOM 31 CA CYS A 5 2.744 15.916 -5.255 1.00 0.00 C ATOM 32 C CYS A 5 3.790 15.045 -4.512 1.00 0.00 C ATOM 33 O CYS A 5 3.940 15.170 -3.294 1.00 0.00 O ATOM 34 CB CYS A 5 1.367 15.217 -5.099 1.00 0.00 C ATOM 35 SG CYS A 5 -0.095 16.204 -5.557 1.00 0.00 S ATOM 0 H CYS A 5 2.344 15.714 -7.281 1.00 0.00 H new ATOM 0 HA CYS A 5 2.737 16.915 -4.818 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.372 14.311 -5.705 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.257 14.905 -4.061 1.00 0.00 H new ATOM 40 N VAL A 6 4.494 14.139 -5.210 1.00 0.00 N ATOM 41 CA VAL A 6 5.438 13.169 -4.614 1.00 0.00 C ATOM 42 C VAL A 6 6.900 13.464 -5.005 1.00 0.00 C ATOM 43 O VAL A 6 7.191 13.816 -6.151 1.00 0.00 O ATOM 44 CB VAL A 6 5.041 11.713 -4.965 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.587 11.415 -4.572 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.191 11.297 -6.433 1.00 0.00 C ATOM 0 H VAL A 6 4.424 14.056 -6.224 1.00 0.00 H new ATOM 0 HA VAL A 6 5.372 13.282 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 6 5.763 11.136 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.343 10.385 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.464 11.556 -3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.920 12.092 -5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.882 10.258 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.565 11.934 -7.058 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.233 11.402 -6.736 1.00 0.00 H new ATOM 56 N GLU A 7 7.847 13.314 -4.072 1.00 0.00 N ATOM 57 CA GLU A 7 9.289 13.510 -4.312 1.00 0.00 C ATOM 58 C GLU A 7 9.848 12.448 -5.280 1.00 0.00 C ATOM 59 O GLU A 7 10.668 12.765 -6.146 1.00 0.00 O ATOM 60 CB GLU A 7 10.050 13.548 -2.969 1.00 0.00 C ATOM 61 CG GLU A 7 11.573 13.580 -3.121 1.00 0.00 C ATOM 62 CD GLU A 7 12.270 13.951 -1.796 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.504 15.160 -1.549 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.616 13.038 -1.008 1.00 0.00 O ATOM 0 H GLU A 7 7.633 13.048 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 7 9.437 14.473 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.732 14.426 -2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.772 12.674 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.926 12.605 -3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.847 14.301 -3.891 1.00 0.00 H new ATOM 71 N LYS A 8 9.375 11.199 -5.176 1.00 0.00 N ATOM 72 CA LYS A 8 9.693 10.066 -6.058 1.00 0.00 C ATOM 73 C LYS A 8 8.406 9.292 -6.352 1.00 0.00 C ATOM 74 O LYS A 8 7.556 9.141 -5.476 1.00 0.00 O ATOM 75 CB LYS A 8 10.718 9.128 -5.385 1.00 0.00 C ATOM 76 CG LYS A 8 12.139 9.696 -5.191 1.00 0.00 C ATOM 77 CD LYS A 8 13.105 9.478 -6.371 1.00 0.00 C ATOM 78 CE LYS A 8 12.770 10.204 -7.684 1.00 0.00 C ATOM 79 NZ LYS A 8 12.852 11.684 -7.556 1.00 0.00 N ATOM 0 H LYS A 8 8.725 10.937 -4.435 1.00 0.00 H new ATOM 0 HA LYS A 8 10.125 10.443 -6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.328 8.840 -4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.792 8.218 -5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.061 10.766 -5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.574 9.244 -4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.101 9.788 -6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.154 8.409 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.455 9.872 -8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.766 9.926 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.734 12.121 -8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.100 12.020 -6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.779 11.948 -7.165 1.00 0.00 H new ATOM 93 N GLU A 9 8.278 8.779 -7.573 1.00 0.00 N ATOM 94 CA GLU A 9 7.152 7.939 -8.000 1.00 0.00 C ATOM 95 C GLU A 9 7.386 6.493 -7.533 1.00 0.00 C ATOM 96 O GLU A 9 8.428 5.911 -7.846 1.00 0.00 O ATOM 97 CB GLU A 9 7.041 7.968 -9.537 1.00 0.00 C ATOM 98 CG GLU A 9 6.349 9.226 -10.076 1.00 0.00 C ATOM 99 CD GLU A 9 6.946 9.660 -11.429 1.00 0.00 C ATOM 100 OE1 GLU A 9 7.929 10.441 -11.440 1.00 0.00 O ATOM 101 OE2 GLU A 9 6.440 9.224 -12.492 1.00 0.00 O ATOM 0 H GLU A 9 8.965 8.936 -8.311 1.00 0.00 H new ATOM 0 HA GLU A 9 6.230 8.320 -7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.040 7.900 -9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.490 7.089 -9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.282 9.035 -10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.451 10.037 -9.355 1.00 0.00 H new ATOM 108 N TYR A 10 6.427 5.909 -6.802 1.00 0.00 N ATOM 109 CA TYR A 10 6.490 4.535 -6.268 1.00 0.00 C ATOM 110 C TYR A 10 7.847 4.198 -5.607 1.00 0.00 C ATOM 111 O TYR A 10 8.542 3.270 -6.038 1.00 0.00 O ATOM 112 CB TYR A 10 6.068 3.505 -7.335 1.00 0.00 C ATOM 113 CG TYR A 10 4.705 3.717 -7.979 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.516 4.751 -8.921 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.622 2.877 -7.639 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.254 4.971 -9.494 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.350 3.110 -8.202 1.00 0.00 C ATOM 118 CZ TYR A 10 2.163 4.150 -9.136 1.00 0.00 C ATOM 119 OH TYR A 10 0.931 4.358 -9.678 1.00 0.00 O ATOM 0 H TYR A 10 5.561 6.389 -6.557 1.00 0.00 H new ATOM 0 HA TYR A 10 5.764 4.476 -5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.821 3.501 -8.123 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.080 2.515 -6.878 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.349 5.378 -9.203 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.767 2.058 -6.950 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.117 5.769 -10.209 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.514 2.488 -7.916 1.00 0.00 H new ATOM 0 HH TYR A 10 0.300 3.699 -9.319 1.00 0.00 H new ATOM 129 N PRO A 11 8.248 4.946 -4.559 1.00 0.00 N ATOM 130 CA PRO A 11 9.519 4.735 -3.863 1.00 0.00 C ATOM 131 C PRO A 11 9.569 3.353 -3.197 1.00 0.00 C ATOM 132 O PRO A 11 8.551 2.863 -2.718 1.00 0.00 O ATOM 133 CB PRO A 11 9.575 5.855 -2.818 1.00 0.00 C ATOM 134 CG PRO A 11 8.111 6.162 -2.534 1.00 0.00 C ATOM 135 CD PRO A 11 7.503 6.029 -3.923 1.00 0.00 C ATOM 0 HA PRO A 11 10.369 4.762 -4.545 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.099 5.535 -1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.101 6.731 -3.198 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.674 5.459 -1.825 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.973 7.160 -2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.439 5.797 -3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.598 6.957 -4.486 1.00 0.00 H new ATOM 143 N ASN A 12 10.731 2.706 -3.106 1.00 0.00 N ATOM 144 CA ASN A 12 10.821 1.429 -2.389 1.00 0.00 C ATOM 145 C ASN A 12 10.875 1.695 -0.872 1.00 0.00 C ATOM 146 O ASN A 12 11.463 2.688 -0.430 1.00 0.00 O ATOM 147 CB ASN A 12 12.042 0.638 -2.881 1.00 0.00 C ATOM 148 CG ASN A 12 11.981 0.275 -4.356 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.866 0.601 -5.135 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.943 -0.399 -4.804 1.00 0.00 N ATOM 0 H ASN A 12 11.608 3.035 -3.510 1.00 0.00 H new ATOM 0 HA ASN A 12 9.938 0.823 -2.590 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.942 1.225 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.132 -0.276 -2.294 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.882 -0.645 -5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.199 -0.676 -4.163 1.00 0.00 H new ATOM 157 N ARG A 13 10.255 0.821 -0.065 1.00 0.00 N ATOM 158 CA ARG A 13 10.142 0.977 1.403 1.00 0.00 C ATOM 159 C ARG A 13 10.783 -0.152 2.213 1.00 0.00 C ATOM 160 O ARG A 13 10.299 -0.509 3.287 1.00 0.00 O ATOM 161 CB ARG A 13 8.671 1.205 1.797 1.00 0.00 C ATOM 162 CG ARG A 13 7.948 2.377 1.120 1.00 0.00 C ATOM 163 CD ARG A 13 8.675 3.733 1.133 1.00 0.00 C ATOM 164 NE ARG A 13 9.186 4.108 2.468 1.00 0.00 N ATOM 165 CZ ARG A 13 10.428 4.418 2.798 1.00 0.00 C ATOM 166 NH1 ARG A 13 11.426 4.347 1.960 1.00 0.00 N ATOM 167 NH2 ARG A 13 10.701 4.807 4.010 1.00 0.00 N ATOM 0 H ARG A 13 9.810 -0.028 -0.413 1.00 0.00 H new ATOM 0 HA ARG A 13 10.726 1.859 1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.116 0.292 1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.628 1.356 2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.754 2.104 0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.979 2.505 1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.507 3.698 0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.993 4.507 0.782 1.00 0.00 H new ATOM 0 HE ARG A 13 8.500 4.130 3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.265 4.041 1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.367 4.598 2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.957 4.872 4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.659 5.046 4.265 1.00 0.00 H new ATOM 181 N GLY A 14 11.851 -0.748 1.683 1.00 0.00 N ATOM 182 CA GLY A 14 12.573 -1.851 2.340 1.00 0.00 C ATOM 183 C GLY A 14 11.670 -3.043 2.686 1.00 0.00 C ATOM 184 O GLY A 14 11.831 -3.656 3.742 1.00 0.00 O ATOM 0 H GLY A 14 12.246 -0.482 0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.377 -2.190 1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.039 -1.479 3.253 1.00 0.00 H new ATOM 188 N ASN A 15 10.710 -3.325 1.795 1.00 0.00 N ATOM 189 CA ASN A 15 9.704 -4.397 1.832 1.00 0.00 C ATOM 190 C ASN A 15 8.426 -4.063 2.656 1.00 0.00 C ATOM 191 O ASN A 15 7.578 -4.936 2.844 1.00 0.00 O ATOM 192 CB ASN A 15 10.315 -5.761 2.238 1.00 0.00 C ATOM 193 CG ASN A 15 11.525 -6.261 1.455 1.00 0.00 C ATOM 194 OD1 ASN A 15 12.166 -5.574 0.669 1.00 0.00 O ATOM 195 ND2 ASN A 15 11.875 -7.511 1.654 1.00 0.00 N ATOM 0 H ASN A 15 10.608 -2.758 0.954 1.00 0.00 H new ATOM 0 HA ASN A 15 9.358 -4.481 0.802 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.598 -5.702 3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.532 -6.515 2.161 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.675 -7.902 1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.347 -8.091 2.307 1.00 0.00 H new ATOM 202 N THR A 16 8.244 -2.826 3.144 1.00 0.00 N ATOM 203 CA THR A 16 7.060 -2.425 3.942 1.00 0.00 C ATOM 204 C THR A 16 5.787 -2.387 3.084 1.00 0.00 C ATOM 205 O THR A 16 5.724 -1.595 2.145 1.00 0.00 O ATOM 206 CB THR A 16 7.298 -1.041 4.579 1.00 0.00 C ATOM 207 OG1 THR A 16 8.423 -1.083 5.432 1.00 0.00 O ATOM 208 CG2 THR A 16 6.126 -0.533 5.418 1.00 0.00 C ATOM 0 H THR A 16 8.912 -2.069 2.999 1.00 0.00 H new ATOM 0 HA THR A 16 6.918 -3.171 4.724 1.00 0.00 H new ATOM 0 HB THR A 16 7.440 -0.364 3.737 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.233 -0.894 4.914 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.371 0.445 5.831 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.239 -0.450 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.931 -1.232 6.231 1.00 0.00 H new ATOM 216 N CYS A 17 4.767 -3.203 3.394 1.00 0.00 N ATOM 217 CA CYS A 17 3.501 -3.275 2.654 1.00 0.00 C ATOM 218 C CYS A 17 2.312 -2.998 3.598 1.00 0.00 C ATOM 219 O CYS A 17 2.015 -3.810 4.477 1.00 0.00 O ATOM 220 CB CYS A 17 3.385 -4.656 1.989 1.00 0.00 C ATOM 221 SG CYS A 17 4.787 -4.994 0.883 1.00 0.00 S ATOM 0 H CYS A 17 4.803 -3.846 4.185 1.00 0.00 H new ATOM 0 HA CYS A 17 3.482 -2.512 1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.335 -5.427 2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.455 -4.710 1.423 1.00 0.00 H new ATOM 0 HG CYS A 17 5.892 -4.985 1.568 1.00 0.00 H new ATOM 227 N LEU A 18 1.657 -1.841 3.432 1.00 0.00 N ATOM 228 CA LEU A 18 0.562 -1.328 4.277 1.00 0.00 C ATOM 229 C LEU A 18 -0.756 -1.120 3.519 1.00 0.00 C ATOM 230 O LEU A 18 -0.782 -0.700 2.364 1.00 0.00 O ATOM 231 CB LEU A 18 1.016 0.008 4.914 1.00 0.00 C ATOM 232 CG LEU A 18 1.725 -0.078 6.279 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.801 -1.153 6.361 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.362 1.273 6.607 1.00 0.00 C ATOM 0 H LEU A 18 1.885 -1.204 2.669 1.00 0.00 H new ATOM 0 HA LEU A 18 0.357 -2.082 5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.686 0.507 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.139 0.646 5.026 1.00 0.00 H new ATOM 0 HG LEU A 18 0.953 -0.350 6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.249 -1.145 7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.355 -2.129 6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.571 -0.955 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.864 1.214 7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.088 1.530 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.588 2.040 6.647 1.00 0.00 H new ATOM 246 N GLU A 19 -1.856 -1.372 4.230 1.00 0.00 N ATOM 247 CA GLU A 19 -3.246 -1.199 3.791 1.00 0.00 C ATOM 248 C GLU A 19 -3.866 0.146 4.221 1.00 0.00 C ATOM 249 O GLU A 19 -4.991 0.453 3.826 1.00 0.00 O ATOM 250 CB GLU A 19 -4.113 -2.349 4.341 1.00 0.00 C ATOM 251 CG GLU A 19 -4.343 -2.368 5.860 1.00 0.00 C ATOM 252 CD GLU A 19 -3.145 -2.923 6.657 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.176 -2.163 6.899 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.176 -4.110 7.060 1.00 0.00 O ATOM 0 H GLU A 19 -1.799 -1.724 5.186 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.226 -1.209 2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.085 -2.309 3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.650 -3.293 4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.557 -1.355 6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.225 -2.970 6.078 1.00 0.00 H new ATOM 261 N ASN A 20 -3.158 0.932 5.042 1.00 0.00 N ATOM 262 CA ASN A 20 -3.611 2.233 5.554 1.00 0.00 C ATOM 263 C ASN A 20 -2.432 3.209 5.756 1.00 0.00 C ATOM 264 O ASN A 20 -1.320 2.785 6.089 1.00 0.00 O ATOM 265 CB ASN A 20 -4.349 2.036 6.896 1.00 0.00 C ATOM 266 CG ASN A 20 -5.783 1.545 6.760 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.611 2.134 6.078 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.148 0.489 7.449 1.00 0.00 N ATOM 0 H ASN A 20 -2.230 0.675 5.378 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.285 2.665 4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.790 1.323 7.503 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.352 2.982 7.437 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.115 0.166 7.413 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.465 -0.008 8.020 1.00 0.00 H new ATOM 275 N GLY A 21 -2.688 4.514 5.600 1.00 0.00 N ATOM 276 CA GLY A 21 -1.713 5.599 5.800 1.00 0.00 C ATOM 277 C GLY A 21 -1.546 6.541 4.595 1.00 0.00 C ATOM 278 O GLY A 21 -2.226 6.396 3.579 1.00 0.00 O ATOM 0 H GLY A 21 -3.608 4.857 5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.017 6.188 6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.744 5.160 6.038 1.00 0.00 H new ATOM 282 N SER A 22 -0.620 7.498 4.734 1.00 0.00 N ATOM 283 CA SER A 22 -0.193 8.492 3.727 1.00 0.00 C ATOM 284 C SER A 22 1.264 8.877 4.018 1.00 0.00 C ATOM 285 O SER A 22 1.564 9.389 5.100 1.00 0.00 O ATOM 286 CB SER A 22 -1.053 9.764 3.764 1.00 0.00 C ATOM 287 OG SER A 22 -2.362 9.524 3.267 1.00 0.00 O ATOM 0 H SER A 22 -0.111 7.611 5.611 1.00 0.00 H new ATOM 0 HA SER A 22 -0.304 8.044 2.740 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.114 10.133 4.788 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.575 10.544 3.171 1.00 0.00 H new ATOM 0 HG SER A 22 -2.514 8.558 3.199 1.00 0.00 H new ATOM 293 N PHE A 23 2.189 8.585 3.101 1.00 0.00 N ATOM 294 CA PHE A 23 3.635 8.784 3.292 1.00 0.00 C ATOM 295 C PHE A 23 4.129 10.240 3.209 1.00 0.00 C ATOM 296 O PHE A 23 4.712 10.682 2.218 1.00 0.00 O ATOM 297 CB PHE A 23 4.392 7.837 2.357 1.00 0.00 C ATOM 298 CG PHE A 23 5.886 7.681 2.596 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.447 7.794 3.886 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.725 7.376 1.509 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.831 7.639 4.069 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.113 7.249 1.687 1.00 0.00 C ATOM 303 CZ PHE A 23 8.671 7.418 2.966 1.00 0.00 C ATOM 0 H PHE A 23 1.954 8.197 2.188 1.00 0.00 H new ATOM 0 HA PHE A 23 3.853 8.533 4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.933 6.851 2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.247 8.183 1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.811 8.000 4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.298 7.238 0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.251 7.690 5.063 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.749 7.022 0.844 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.742 7.378 3.100 1.00 0.00 H new ATOM 313 N LEU A 24 3.897 11.000 4.279 1.00 0.00 N ATOM 314 CA LEU A 24 4.239 12.421 4.402 1.00 0.00 C ATOM 315 C LEU A 24 5.693 12.790 4.042 1.00 0.00 C ATOM 316 O LEU A 24 5.941 13.886 3.539 1.00 0.00 O ATOM 317 CB LEU A 24 3.893 12.924 5.817 1.00 0.00 C ATOM 318 CG LEU A 24 2.462 12.640 6.322 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.243 13.349 7.659 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.375 13.098 5.350 1.00 0.00 C ATOM 0 H LEU A 24 3.449 10.631 5.117 1.00 0.00 H new ATOM 0 HA LEU A 24 3.632 12.926 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.597 12.477 6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.056 14.001 5.845 1.00 0.00 H new ATOM 0 HG LEU A 24 2.379 11.558 6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.233 13.149 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.965 12.982 8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.375 14.423 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.394 12.868 5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.459 14.173 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.496 12.580 4.399 1.00 0.00 H new ATOM 332 N LEU A 25 6.652 11.884 4.265 1.00 0.00 N ATOM 333 CA LEU A 25 8.070 12.087 3.921 1.00 0.00 C ATOM 334 C LEU A 25 8.337 12.097 2.400 1.00 0.00 C ATOM 335 O LEU A 25 9.341 12.667 1.971 1.00 0.00 O ATOM 336 CB LEU A 25 8.940 11.028 4.625 1.00 0.00 C ATOM 337 CG LEU A 25 8.993 11.137 6.163 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.914 10.053 6.726 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.519 12.490 6.651 1.00 0.00 C ATOM 0 H LEU A 25 6.466 10.978 4.694 1.00 0.00 H new ATOM 0 HA LEU A 25 8.343 13.080 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.566 10.039 4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.956 11.099 4.237 1.00 0.00 H new ATOM 0 HG LEU A 25 7.967 11.020 6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.949 10.133 7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.533 9.071 6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.918 10.182 6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.532 12.504 7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.530 12.645 6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.870 13.286 6.286 1.00 0.00 H new ATOM 351 N ASN A 26 7.438 11.534 1.581 1.00 0.00 N ATOM 352 CA ASN A 26 7.521 11.575 0.115 1.00 0.00 C ATOM 353 C ASN A 26 6.580 12.655 -0.431 1.00 0.00 C ATOM 354 O ASN A 26 6.896 13.292 -1.431 1.00 0.00 O ATOM 355 CB ASN A 26 7.176 10.196 -0.463 1.00 0.00 C ATOM 356 CG ASN A 26 7.420 10.104 -1.968 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.299 10.732 -2.527 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.677 9.311 -2.692 1.00 0.00 N ATOM 0 H ASN A 26 6.620 11.030 1.924 1.00 0.00 H new ATOM 0 HA ASN A 26 8.538 11.827 -0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.771 9.436 0.044 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.130 9.972 -0.255 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.842 9.232 -3.695 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.931 8.770 -2.254 1.00 0.00 H new ATOM 365 N PHE A 27 5.441 12.894 0.229 1.00 0.00 N ATOM 366 CA PHE A 27 4.518 13.964 -0.164 1.00 0.00 C ATOM 367 C PHE A 27 5.172 15.336 0.045 1.00 0.00 C ATOM 368 O PHE A 27 5.374 15.783 1.177 1.00 0.00 O ATOM 369 CB PHE A 27 3.198 13.878 0.608 1.00 0.00 C ATOM 370 CG PHE A 27 2.158 14.920 0.204 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.692 14.996 -1.125 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.635 15.806 1.166 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.690 15.922 -1.490 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.630 16.725 0.807 1.00 0.00 C ATOM 375 CZ PHE A 27 0.147 16.769 -0.512 1.00 0.00 C ATOM 0 H PHE A 27 5.136 12.358 1.041 1.00 0.00 H new ATOM 0 HA PHE A 27 4.292 13.837 -1.223 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.773 12.885 0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.407 13.986 1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.107 14.337 -1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.005 15.781 2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.345 15.978 -2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.229 17.399 1.549 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.644 17.456 -0.773 1.00 0.00 H new ATOM 385 N THR A 28 5.485 16.029 -1.045 1.00 0.00 N ATOM 386 CA THR A 28 6.103 17.373 -1.036 1.00 0.00 C ATOM 387 C THR A 28 5.062 18.497 -1.075 1.00 0.00 C ATOM 388 O THR A 28 5.413 19.672 -1.206 1.00 0.00 O ATOM 389 CB THR A 28 7.122 17.526 -2.183 1.00 0.00 C ATOM 390 OG1 THR A 28 6.654 16.992 -3.405 1.00 0.00 O ATOM 391 CG2 THR A 28 8.407 16.779 -1.831 1.00 0.00 C ATOM 0 H THR A 28 5.317 15.674 -1.986 1.00 0.00 H new ATOM 0 HA THR A 28 6.635 17.466 -0.089 1.00 0.00 H new ATOM 0 HB THR A 28 7.289 18.596 -2.305 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.335 17.116 -4.098 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.126 16.889 -2.643 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.829 17.192 -0.915 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.185 15.722 -1.683 1.00 0.00 H new ATOM 399 N GLY A 29 3.779 18.144 -0.962 1.00 0.00 N ATOM 400 CA GLY A 29 2.649 19.062 -1.055 1.00 0.00 C ATOM 401 C GLY A 29 2.120 19.101 -2.492 1.00 0.00 C ATOM 402 O GLY A 29 2.890 18.916 -3.441 1.00 0.00 O ATOM 0 H GLY A 29 3.493 17.179 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.857 18.746 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.955 20.061 -0.745 1.00 0.00 H new ATOM 406 N CYS A 30 0.816 19.335 -2.633 1.00 0.00 N ATOM 407 CA CYS A 30 0.092 19.368 -3.896 1.00 0.00 C ATOM 408 C CYS A 30 0.695 20.310 -4.941 1.00 0.00 C ATOM 409 O CYS A 30 1.508 21.197 -4.649 1.00 0.00 O ATOM 410 CB CYS A 30 -1.387 19.723 -3.623 1.00 0.00 C ATOM 411 SG CYS A 30 -2.517 19.227 -4.992 1.00 0.00 S ATOM 0 H CYS A 30 0.211 19.514 -1.832 1.00 0.00 H new ATOM 0 HA CYS A 30 0.172 18.373 -4.333 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.707 19.236 -2.702 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.472 20.798 -3.461 1.00 0.00 H new ATOM 416 N ALA A 31 0.213 20.160 -6.164 1.00 0.00 N ATOM 417 CA ALA A 31 0.510 21.045 -7.278 1.00 0.00 C ATOM 418 C ALA A 31 -0.768 21.578 -7.958 1.00 0.00 C ATOM 419 O ALA A 31 -0.675 22.567 -8.697 1.00 0.00 O ATOM 420 CB ALA A 31 1.509 20.416 -8.249 1.00 0.00 C ATOM 0 H ALA A 31 -0.414 19.396 -6.416 1.00 0.00 H new ATOM 0 HA ALA A 31 1.006 21.927 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.705 21.108 -9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.440 20.201 -7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.095 19.490 -8.648 1.00 0.00 H new ATOM 426 N VAL A 32 -1.958 21.026 -7.672 1.00 0.00 N ATOM 427 CA VAL A 32 -3.226 21.598 -8.149 1.00 0.00 C ATOM 428 C VAL A 32 -3.529 22.881 -7.356 1.00 0.00 C ATOM 429 O VAL A 32 -4.036 23.848 -7.937 1.00 0.00 O ATOM 430 CB VAL A 32 -4.403 20.590 -8.064 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.798 21.216 -8.239 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.307 19.523 -9.164 1.00 0.00 C ATOM 0 H VAL A 32 -2.068 20.181 -7.111 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.116 21.840 -9.206 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.306 20.180 -7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.558 20.438 -8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.963 21.960 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.862 21.694 -9.217 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.146 18.833 -9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.334 20.005 -10.141 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.372 18.973 -9.057 1.00 0.00 H new ATOM 442 N CYS A 33 -3.187 22.913 -6.061 1.00 0.00 N ATOM 443 CA CYS A 33 -3.412 24.032 -5.140 1.00 0.00 C ATOM 444 C CYS A 33 -2.193 24.485 -4.295 1.00 0.00 C ATOM 445 O CYS A 33 -2.218 25.595 -3.749 1.00 0.00 O ATOM 446 CB CYS A 33 -4.555 23.638 -4.205 1.00 0.00 C ATOM 447 SG CYS A 33 -4.022 22.288 -3.101 1.00 0.00 S ATOM 0 H CYS A 33 -2.726 22.124 -5.608 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.639 24.895 -5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.866 24.500 -3.615 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.420 23.322 -4.788 1.00 0.00 H new ATOM 452 N SER A 34 -1.134 23.666 -4.195 1.00 0.00 N ATOM 453 CA SER A 34 0.117 23.934 -3.448 1.00 0.00 C ATOM 454 C SER A 34 0.082 23.670 -1.919 1.00 0.00 C ATOM 455 O SER A 34 0.974 24.142 -1.203 1.00 0.00 O ATOM 456 CB SER A 34 0.688 25.326 -3.789 1.00 0.00 C ATOM 457 OG SER A 34 2.097 25.376 -3.616 1.00 0.00 O ATOM 0 H SER A 34 -1.121 22.754 -4.652 1.00 0.00 H new ATOM 0 HA SER A 34 0.806 23.170 -3.808 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.439 25.578 -4.820 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.217 26.077 -3.155 1.00 0.00 H new ATOM 0 HG SER A 34 2.335 24.978 -2.753 1.00 0.00 H new ATOM 463 N LYS A 35 -0.900 22.932 -1.374 1.00 0.00 N ATOM 464 CA LYS A 35 -0.998 22.630 0.078 1.00 0.00 C ATOM 465 C LYS A 35 -0.170 21.403 0.501 1.00 0.00 C ATOM 466 O LYS A 35 -0.075 20.431 -0.242 1.00 0.00 O ATOM 467 CB LYS A 35 -2.470 22.387 0.444 1.00 0.00 C ATOM 468 CG LYS A 35 -3.268 23.703 0.528 1.00 0.00 C ATOM 469 CD LYS A 35 -3.816 23.908 1.945 1.00 0.00 C ATOM 470 CE LYS A 35 -4.620 25.207 2.109 1.00 0.00 C ATOM 471 NZ LYS A 35 -3.769 26.424 2.024 1.00 0.00 N ATOM 0 H LYS A 35 -1.655 22.523 -1.924 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.592 23.491 0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.926 21.733 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.525 21.868 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.628 24.542 0.254 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.090 23.683 -0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.451 23.062 2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.985 23.913 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.390 25.253 1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.132 25.193 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.361 27.271 2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.050 26.398 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.300 26.455 1.096 1.00 0.00 H new ATOM 485 N ARG A 36 0.367 21.403 1.729 1.00 0.00 N ATOM 486 CA ARG A 36 1.107 20.275 2.346 1.00 0.00 C ATOM 487 C ARG A 36 0.434 19.858 3.664 1.00 0.00 C ATOM 488 O ARG A 36 -0.359 20.624 4.204 1.00 0.00 O ATOM 489 CB ARG A 36 2.600 20.609 2.486 1.00 0.00 C ATOM 490 CG ARG A 36 3.419 19.336 2.775 1.00 0.00 C ATOM 491 CD ARG A 36 4.895 19.507 2.444 1.00 0.00 C ATOM 492 NE ARG A 36 5.603 18.220 2.608 1.00 0.00 N ATOM 493 CZ ARG A 36 6.631 17.929 3.382 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.257 18.826 4.091 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.045 16.699 3.451 1.00 0.00 N ATOM 0 H ARG A 36 0.300 22.212 2.347 1.00 0.00 H new ATOM 0 HA ARG A 36 1.064 19.405 1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.960 21.079 1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.742 21.330 3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.314 19.071 3.827 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.013 18.507 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.007 19.865 1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.337 20.260 3.096 1.00 0.00 H new ATOM 0 HE ARG A 36 5.247 17.449 2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.956 19.800 4.061 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.047 18.554 4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.576 15.972 2.911 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.839 16.461 4.046 1.00 0.00 H new ATOM 509 N ASP A 37 0.705 18.640 4.154 1.00 0.00 N ATOM 510 CA ASP A 37 0.085 18.014 5.347 1.00 0.00 C ATOM 511 C ASP A 37 -1.462 17.996 5.337 1.00 0.00 C ATOM 512 O ASP A 37 -2.139 17.947 6.367 1.00 0.00 O ATOM 513 CB ASP A 37 0.719 18.504 6.656 1.00 0.00 C ATOM 514 CG ASP A 37 0.510 19.986 7.024 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.519 20.332 7.653 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.435 20.798 6.777 1.00 0.00 O ATOM 0 H ASP A 37 1.394 18.030 3.714 1.00 0.00 H new ATOM 0 HA ASP A 37 0.330 16.954 5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.328 17.894 7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.791 18.316 6.604 1.00 0.00 H new ATOM 521 N PHE A 38 -2.004 18.013 4.123 1.00 0.00 N ATOM 522 CA PHE A 38 -3.415 18.050 3.753 1.00 0.00 C ATOM 523 C PHE A 38 -3.788 16.858 2.867 1.00 0.00 C ATOM 524 O PHE A 38 -3.591 16.878 1.653 1.00 0.00 O ATOM 525 CB PHE A 38 -3.746 19.383 3.060 1.00 0.00 C ATOM 526 CG PHE A 38 -4.197 20.510 3.976 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.438 20.916 5.091 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.415 21.161 3.703 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.870 21.991 5.890 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.844 22.243 4.491 1.00 0.00 C ATOM 531 CZ PHE A 38 -5.067 22.662 5.585 1.00 0.00 C ATOM 0 H PHE A 38 -1.409 18.000 3.295 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.011 17.976 4.663 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.864 19.716 2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.529 19.203 2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.521 20.400 5.334 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.027 20.825 2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.280 22.301 6.740 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.768 22.751 4.257 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.389 23.497 6.189 1.00 0.00 H new ATOM 541 N MET A 39 -4.367 15.828 3.480 1.00 0.00 N ATOM 542 CA MET A 39 -4.855 14.635 2.772 1.00 0.00 C ATOM 543 C MET A 39 -5.878 13.804 3.558 1.00 0.00 C ATOM 544 O MET A 39 -5.848 13.718 4.786 1.00 0.00 O ATOM 545 CB MET A 39 -3.712 13.723 2.280 1.00 0.00 C ATOM 546 CG MET A 39 -2.629 13.421 3.328 1.00 0.00 C ATOM 547 SD MET A 39 -0.959 13.997 2.912 1.00 0.00 S ATOM 548 CE MET A 39 -0.643 13.034 1.407 1.00 0.00 C ATOM 0 H MET A 39 -4.514 15.792 4.489 1.00 0.00 H new ATOM 0 HA MET A 39 -5.375 15.047 1.907 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.140 12.780 1.939 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.240 14.190 1.415 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.926 13.875 4.274 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.594 12.343 3.489 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.427 12.853 1.309 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.168 12.081 1.468 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.998 13.589 0.539 1.00 0.00 H new ATOM 558 N LEU A 40 -6.755 13.171 2.781 1.00 0.00 N ATOM 559 CA LEU A 40 -7.861 12.274 3.117 1.00 0.00 C ATOM 560 C LEU A 40 -7.725 10.966 2.317 1.00 0.00 C ATOM 561 O LEU A 40 -7.009 10.907 1.314 1.00 0.00 O ATOM 562 CB LEU A 40 -9.190 12.976 2.735 1.00 0.00 C ATOM 563 CG LEU A 40 -9.899 13.855 3.782 1.00 0.00 C ATOM 564 CD1 LEU A 40 -10.882 13.023 4.608 1.00 0.00 C ATOM 565 CD2 LEU A 40 -8.981 14.554 4.767 1.00 0.00 C ATOM 0 H LEU A 40 -6.699 13.291 1.770 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.847 12.043 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.994 13.598 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.893 12.203 2.424 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.395 14.621 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.373 13.662 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.632 12.586 3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.343 12.228 5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.576 15.147 5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.409 13.810 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.297 15.208 4.226 1.00 0.00 H new ATOM 577 N ILE A 41 -8.470 9.940 2.730 1.00 0.00 N ATOM 578 CA ILE A 41 -8.574 8.637 2.065 1.00 0.00 C ATOM 579 C ILE A 41 -10.062 8.382 1.823 1.00 0.00 C ATOM 580 O ILE A 41 -10.884 8.535 2.731 1.00 0.00 O ATOM 581 CB ILE A 41 -7.942 7.520 2.928 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.410 7.715 3.022 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.288 6.118 2.373 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.731 6.804 4.053 1.00 0.00 C ATOM 0 H ILE A 41 -9.042 9.995 3.573 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.028 8.638 1.122 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.362 7.588 3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.969 7.531 2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.200 8.754 3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.829 5.355 3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.370 5.984 2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.909 6.026 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.659 6.999 4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.143 7.003 5.042 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.908 5.761 3.790 1.00 0.00 H new ATOM 596 N THR A 42 -10.407 7.977 0.603 1.00 0.00 N ATOM 597 CA THR A 42 -11.784 7.641 0.212 1.00 0.00 C ATOM 598 C THR A 42 -11.794 6.510 -0.809 1.00 0.00 C ATOM 599 O THR A 42 -10.733 6.100 -1.292 1.00 0.00 O ATOM 600 CB THR A 42 -12.543 8.875 -0.316 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.913 8.712 -0.019 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.446 9.115 -1.826 1.00 0.00 C ATOM 0 H THR A 42 -9.733 7.870 -0.155 1.00 0.00 H new ATOM 0 HA THR A 42 -12.307 7.298 1.105 1.00 0.00 H new ATOM 0 HB THR A 42 -12.075 9.730 0.172 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.413 9.489 -0.346 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.015 10.007 -2.090 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.402 9.255 -2.106 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.852 8.255 -2.358 1.00 0.00 H new ATOM 610 N ASN A 43 -12.991 6.032 -1.169 1.00 0.00 N ATOM 611 CA ASN A 43 -13.205 5.024 -2.217 1.00 0.00 C ATOM 612 C ASN A 43 -12.438 3.694 -1.964 1.00 0.00 C ATOM 613 O ASN A 43 -12.244 2.872 -2.862 1.00 0.00 O ATOM 614 CB ASN A 43 -12.942 5.781 -3.541 1.00 0.00 C ATOM 615 CG ASN A 43 -12.985 4.957 -4.811 1.00 0.00 C ATOM 616 OD1 ASN A 43 -13.957 4.281 -5.123 1.00 0.00 O ATOM 617 ND2 ASN A 43 -11.942 5.038 -5.602 1.00 0.00 N ATOM 0 H ASN A 43 -13.858 6.342 -0.730 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.218 4.623 -2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.677 6.581 -3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.962 6.254 -3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.934 4.534 -6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.139 5.605 -5.330 1.00 0.00 H new ATOM 624 N LYS A 44 -12.013 3.486 -0.708 1.00 0.00 N ATOM 625 CA LYS A 44 -11.280 2.326 -0.194 1.00 0.00 C ATOM 626 C LYS A 44 -12.077 1.033 -0.353 1.00 0.00 C ATOM 627 O LYS A 44 -13.084 0.818 0.326 1.00 0.00 O ATOM 628 CB LYS A 44 -10.914 2.590 1.274 1.00 0.00 C ATOM 629 CG LYS A 44 -9.869 1.600 1.819 1.00 0.00 C ATOM 630 CD LYS A 44 -9.073 2.149 3.013 1.00 0.00 C ATOM 631 CE LYS A 44 -9.954 2.395 4.245 1.00 0.00 C ATOM 632 NZ LYS A 44 -9.188 3.054 5.334 1.00 0.00 N ATOM 0 H LYS A 44 -12.186 4.175 0.024 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.369 2.190 -0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.530 3.605 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.815 2.531 1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.372 0.681 2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.176 1.338 1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.281 1.446 3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.589 3.082 2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.805 3.018 3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.356 1.447 4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.733 3.009 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.279 2.566 5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.015 4.049 5.084 1.00 0.00 H new ATOM 646 N SER A 45 -11.608 0.185 -1.255 1.00 0.00 N ATOM 647 CA SER A 45 -12.183 -1.117 -1.573 1.00 0.00 C ATOM 648 C SER A 45 -11.328 -2.268 -1.045 1.00 0.00 C ATOM 649 O SER A 45 -10.115 -2.135 -0.856 1.00 0.00 O ATOM 650 CB SER A 45 -12.348 -1.240 -3.093 1.00 0.00 C ATOM 651 OG SER A 45 -13.331 -0.330 -3.565 1.00 0.00 O ATOM 0 H SER A 45 -10.779 0.393 -1.812 1.00 0.00 H new ATOM 0 HA SER A 45 -13.154 -1.185 -1.083 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.396 -1.042 -3.585 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.634 -2.259 -3.352 1.00 0.00 H new ATOM 0 HG SER A 45 -13.422 -0.421 -4.537 1.00 0.00 H new ATOM 657 N LEU A 46 -11.968 -3.419 -0.840 1.00 0.00 N ATOM 658 CA LEU A 46 -11.357 -4.659 -0.360 1.00 0.00 C ATOM 659 C LEU A 46 -11.912 -5.862 -1.133 1.00 0.00 C ATOM 660 O LEU A 46 -13.113 -5.941 -1.409 1.00 0.00 O ATOM 661 CB LEU A 46 -11.539 -4.778 1.164 1.00 0.00 C ATOM 662 CG LEU A 46 -11.115 -6.148 1.753 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.516 -5.969 3.149 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.287 -7.125 1.893 1.00 0.00 C ATOM 0 H LEU A 46 -12.969 -3.517 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.284 -4.642 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.960 -3.992 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.586 -4.599 1.408 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.388 -6.556 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.224 -6.941 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.640 -5.323 3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.257 -5.515 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.928 -8.066 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.040 -6.698 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.728 -7.307 0.913 1.00 0.00 H new ATOM 676 N LYS A 47 -11.017 -6.785 -1.494 1.00 0.00 N ATOM 677 CA LYS A 47 -11.284 -8.005 -2.259 1.00 0.00 C ATOM 678 C LYS A 47 -10.647 -9.224 -1.607 1.00 0.00 C ATOM 679 O LYS A 47 -9.580 -9.110 -1.013 1.00 0.00 O ATOM 680 CB LYS A 47 -10.770 -7.834 -3.696 1.00 0.00 C ATOM 681 CG LYS A 47 -11.819 -8.269 -4.719 1.00 0.00 C ATOM 682 CD LYS A 47 -11.302 -8.310 -6.165 1.00 0.00 C ATOM 683 CE LYS A 47 -10.414 -9.542 -6.381 1.00 0.00 C ATOM 684 NZ LYS A 47 -10.023 -9.717 -7.801 1.00 0.00 N ATOM 0 H LYS A 47 -10.032 -6.696 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.361 -8.170 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.503 -6.791 -3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.862 -8.421 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.188 -9.258 -4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.668 -7.587 -4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.143 -8.334 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.736 -7.404 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.517 -9.451 -5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.943 -10.432 -6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.826 -10.721 -7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.798 -9.398 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.171 -9.155 -7.998 1.00 0.00 H new ATOM 698 N GLU A 48 -11.278 -10.385 -1.715 1.00 0.00 N ATOM 699 CA GLU A 48 -10.719 -11.631 -1.161 1.00 0.00 C ATOM 700 C GLU A 48 -10.921 -12.823 -2.116 1.00 0.00 C ATOM 701 O GLU A 48 -12.054 -13.238 -2.374 1.00 0.00 O ATOM 702 CB GLU A 48 -11.378 -11.938 0.198 1.00 0.00 C ATOM 703 CG GLU A 48 -11.162 -10.872 1.279 1.00 0.00 C ATOM 704 CD GLU A 48 -11.810 -11.319 2.604 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.178 -12.087 3.370 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.966 -10.920 2.886 1.00 0.00 O ATOM 0 H GLU A 48 -12.179 -10.500 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.647 -11.485 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.449 -12.066 0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.993 -12.889 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.095 -10.704 1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.593 -9.924 0.957 1.00 0.00 H new ATOM 713 N GLU A 49 -9.823 -13.402 -2.617 1.00 0.00 N ATOM 714 CA GLU A 49 -9.810 -14.629 -3.433 1.00 0.00 C ATOM 715 C GLU A 49 -9.017 -15.776 -2.788 1.00 0.00 C ATOM 716 O GLU A 49 -7.807 -15.667 -2.630 1.00 0.00 O ATOM 717 CB GLU A 49 -9.282 -14.363 -4.851 1.00 0.00 C ATOM 718 CG GLU A 49 -10.215 -13.474 -5.682 1.00 0.00 C ATOM 719 CD GLU A 49 -9.757 -13.407 -7.152 1.00 0.00 C ATOM 720 OE1 GLU A 49 -9.964 -14.390 -7.905 1.00 0.00 O ATOM 721 OE2 GLU A 49 -9.219 -12.355 -7.575 1.00 0.00 O ATOM 0 H GLU A 49 -8.890 -13.021 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.851 -14.946 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.302 -13.890 -4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.143 -15.314 -5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.232 -13.863 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.237 -12.470 -5.259 1.00 0.00 H new ATOM 728 N ASP A 50 -9.643 -16.926 -2.539 1.00 0.00 N ATOM 729 CA ASP A 50 -9.012 -18.188 -2.078 1.00 0.00 C ATOM 730 C ASP A 50 -7.960 -18.118 -0.930 1.00 0.00 C ATOM 731 O ASP A 50 -7.131 -19.018 -0.771 1.00 0.00 O ATOM 732 CB ASP A 50 -8.440 -18.875 -3.336 1.00 0.00 C ATOM 733 CG ASP A 50 -8.196 -20.387 -3.163 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.092 -21.096 -2.641 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.134 -20.887 -3.608 1.00 0.00 O ATOM 0 H ASP A 50 -10.652 -17.020 -2.655 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.799 -18.759 -1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.128 -18.720 -4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.500 -18.393 -3.606 1.00 0.00 H new ATOM 740 N GLY A 51 -7.968 -17.044 -0.138 1.00 0.00 N ATOM 741 CA GLY A 51 -7.022 -16.759 0.962 1.00 0.00 C ATOM 742 C GLY A 51 -6.233 -15.459 0.755 1.00 0.00 C ATOM 743 O GLY A 51 -5.751 -14.868 1.721 1.00 0.00 O ATOM 0 H GLY A 51 -8.666 -16.308 -0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.573 -16.697 1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.323 -17.590 1.057 1.00 0.00 H new ATOM 747 N GLU A 52 -6.133 -14.984 -0.488 1.00 0.00 N ATOM 748 CA GLU A 52 -5.521 -13.705 -0.851 1.00 0.00 C ATOM 749 C GLU A 52 -6.473 -12.572 -0.451 1.00 0.00 C ATOM 750 O GLU A 52 -7.675 -12.640 -0.713 1.00 0.00 O ATOM 751 CB GLU A 52 -5.215 -13.672 -2.367 1.00 0.00 C ATOM 752 CG GLU A 52 -4.634 -12.348 -2.909 1.00 0.00 C ATOM 753 CD GLU A 52 -4.470 -12.329 -4.449 1.00 0.00 C ATOM 754 OE1 GLU A 52 -4.890 -13.279 -5.157 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.925 -11.329 -4.980 1.00 0.00 O ATOM 0 H GLU A 52 -6.487 -15.496 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.576 -13.578 -0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.513 -14.474 -2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.135 -13.891 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.285 -11.526 -2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.663 -12.170 -2.446 1.00 0.00 H new ATOM 762 N GLU A 53 -5.936 -11.511 0.142 1.00 0.00 N ATOM 763 CA GLU A 53 -6.653 -10.304 0.544 1.00 0.00 C ATOM 764 C GLU A 53 -6.080 -9.116 -0.228 1.00 0.00 C ATOM 765 O GLU A 53 -4.868 -8.913 -0.262 1.00 0.00 O ATOM 766 CB GLU A 53 -6.520 -10.062 2.058 1.00 0.00 C ATOM 767 CG GLU A 53 -7.156 -11.171 2.906 1.00 0.00 C ATOM 768 CD GLU A 53 -7.104 -10.822 4.408 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.836 -9.904 4.852 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.337 -11.471 5.163 1.00 0.00 O ATOM 0 H GLU A 53 -4.942 -11.466 0.366 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.712 -10.424 0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.464 -9.978 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.986 -9.109 2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.192 -11.318 2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.634 -12.112 2.730 1.00 0.00 H new ATOM 777 N ILE A 54 -6.938 -8.314 -0.852 1.00 0.00 N ATOM 778 CA ILE A 54 -6.546 -7.165 -1.659 1.00 0.00 C ATOM 779 C ILE A 54 -7.216 -5.910 -1.107 1.00 0.00 C ATOM 780 O ILE A 54 -8.397 -5.943 -0.766 1.00 0.00 O ATOM 781 CB ILE A 54 -6.900 -7.377 -3.149 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.328 -8.696 -3.728 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.307 -6.197 -3.928 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.275 -9.903 -3.645 1.00 0.00 C ATOM 0 H ILE A 54 -7.948 -8.449 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.464 -7.046 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.985 -7.438 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.062 -8.532 -4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.406 -8.939 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.535 -6.309 -4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.737 -5.265 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.226 -6.176 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.787 -10.778 -4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.522 -10.100 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.188 -9.688 -4.200 1.00 0.00 H new ATOM 796 N VAL A 55 -6.480 -4.803 -1.041 1.00 0.00 N ATOM 797 CA VAL A 55 -6.971 -3.498 -0.586 1.00 0.00 C ATOM 798 C VAL A 55 -6.534 -2.427 -1.580 1.00 0.00 C ATOM 799 O VAL A 55 -5.339 -2.206 -1.776 1.00 0.00 O ATOM 800 CB VAL A 55 -6.411 -3.177 0.811 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.959 -1.846 1.330 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.725 -4.284 1.825 1.00 0.00 C ATOM 0 H VAL A 55 -5.496 -4.785 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.059 -3.521 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.329 -3.106 0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.547 -1.644 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.675 -1.045 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.046 -1.900 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.311 -4.015 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.805 -4.403 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.282 -5.222 1.489 1.00 0.00 H new ATOM 812 N THR A 56 -7.492 -1.751 -2.209 1.00 0.00 N ATOM 813 CA THR A 56 -7.229 -0.661 -3.166 1.00 0.00 C ATOM 814 C THR A 56 -7.896 0.652 -2.741 1.00 0.00 C ATOM 815 O THR A 56 -9.077 0.649 -2.398 1.00 0.00 O ATOM 816 CB THR A 56 -7.557 -1.087 -4.607 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.941 -1.307 -4.796 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.848 -2.399 -4.972 1.00 0.00 C ATOM 0 H THR A 56 -8.485 -1.941 -2.073 1.00 0.00 H new ATOM 0 HA THR A 56 -6.159 -0.454 -3.152 1.00 0.00 H new ATOM 0 HB THR A 56 -7.217 -0.267 -5.240 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.106 -1.574 -5.724 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.099 -2.675 -5.996 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.770 -2.266 -4.886 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.172 -3.188 -4.294 1.00 0.00 H new ATOM 826 N TYR A 57 -7.187 1.783 -2.769 1.00 0.00 N ATOM 827 CA TYR A 57 -7.739 3.100 -2.404 1.00 0.00 C ATOM 828 C TYR A 57 -7.065 4.273 -3.135 1.00 0.00 C ATOM 829 O TYR A 57 -6.287 4.089 -4.076 1.00 0.00 O ATOM 830 CB TYR A 57 -7.724 3.282 -0.875 1.00 0.00 C ATOM 831 CG TYR A 57 -6.394 3.356 -0.140 1.00 0.00 C ATOM 832 CD1 TYR A 57 -5.791 2.174 0.331 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.835 4.603 0.205 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.663 2.241 1.170 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.707 4.676 1.043 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.128 3.493 1.549 1.00 0.00 C ATOM 837 OH TYR A 57 -3.092 3.557 2.430 1.00 0.00 O ATOM 0 H TYR A 57 -6.206 1.816 -3.047 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.775 3.116 -2.744 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.272 4.197 -0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.290 2.457 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.195 1.213 0.048 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.277 5.511 -0.178 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.204 1.331 1.526 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.285 5.637 1.299 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.953 4.487 2.705 1.00 0.00 H new ATOM 847 N ASP A 58 -7.341 5.496 -2.679 1.00 0.00 N ATOM 848 CA ASP A 58 -6.789 6.732 -3.220 1.00 0.00 C ATOM 849 C ASP A 58 -6.489 7.714 -2.079 1.00 0.00 C ATOM 850 O ASP A 58 -7.132 7.683 -1.023 1.00 0.00 O ATOM 851 CB ASP A 58 -7.864 7.446 -4.059 1.00 0.00 C ATOM 852 CG ASP A 58 -8.338 6.673 -5.286 1.00 0.00 C ATOM 853 OD1 ASP A 58 -7.693 6.797 -6.349 1.00 0.00 O ATOM 854 OD2 ASP A 58 -9.398 6.014 -5.209 1.00 0.00 O ATOM 0 H ASP A 58 -7.976 5.655 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.899 6.474 -3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.724 7.651 -3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.471 8.409 -4.384 1.00 0.00 H new ATOM 859 N HIS A 59 -5.600 8.663 -2.351 1.00 0.00 N ATOM 860 CA HIS A 59 -5.294 9.790 -1.471 1.00 0.00 C ATOM 861 C HIS A 59 -5.889 11.035 -2.138 1.00 0.00 C ATOM 862 O HIS A 59 -5.804 11.189 -3.357 1.00 0.00 O ATOM 863 CB HIS A 59 -3.786 9.942 -1.252 1.00 0.00 C ATOM 864 CG HIS A 59 -3.085 8.695 -0.762 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.701 8.418 0.534 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.556 7.706 -1.553 1.00 0.00 C ATOM 867 CE1 HIS A 59 -1.938 7.312 0.511 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.814 6.842 -0.738 1.00 0.00 N ATOM 0 H HIS A 59 -5.056 8.672 -3.214 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.723 9.634 -0.481 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.327 10.254 -2.190 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.617 10.743 -0.532 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -2.952 8.957 1.363 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.689 7.610 -2.621 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.485 6.862 1.382 1.00 0.00 H new ATOM 876 N LEU A 60 -6.502 11.919 -1.359 1.00 0.00 N ATOM 877 CA LEU A 60 -7.200 13.111 -1.841 1.00 0.00 C ATOM 878 C LEU A 60 -6.785 14.332 -1.025 1.00 0.00 C ATOM 879 O LEU A 60 -6.816 14.284 0.202 1.00 0.00 O ATOM 880 CB LEU A 60 -8.731 12.942 -1.736 1.00 0.00 C ATOM 881 CG LEU A 60 -9.399 12.033 -2.789 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.386 10.543 -2.419 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.869 12.433 -2.922 1.00 0.00 C ATOM 0 H LEU A 60 -6.529 11.826 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.928 13.250 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.963 12.546 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.188 13.930 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.828 12.165 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.873 9.968 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.356 10.205 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.920 10.397 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.353 11.798 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.367 12.312 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.936 13.474 -3.237 1.00 0.00 H new ATOM 895 N CYS A 61 -6.428 15.420 -1.700 1.00 0.00 N ATOM 896 CA CYS A 61 -6.027 16.680 -1.085 1.00 0.00 C ATOM 897 C CYS A 61 -7.133 17.225 -0.165 1.00 0.00 C ATOM 898 O CYS A 61 -8.271 17.427 -0.591 1.00 0.00 O ATOM 899 CB CYS A 61 -5.679 17.625 -2.246 1.00 0.00 C ATOM 900 SG CYS A 61 -4.725 19.079 -1.715 1.00 0.00 S ATOM 0 H CYS A 61 -6.409 15.450 -2.719 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.162 16.562 -0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.108 17.076 -2.995 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.600 17.957 -2.726 1.00 0.00 H new ATOM 905 N LYS A 62 -6.838 17.483 1.115 1.00 0.00 N ATOM 906 CA LYS A 62 -7.827 18.050 2.060 1.00 0.00 C ATOM 907 C LYS A 62 -8.292 19.462 1.629 1.00 0.00 C ATOM 908 O LYS A 62 -9.290 19.963 2.152 1.00 0.00 O ATOM 909 CB LYS A 62 -7.229 18.005 3.486 1.00 0.00 C ATOM 910 CG LYS A 62 -7.926 18.819 4.591 1.00 0.00 C ATOM 911 CD LYS A 62 -9.360 18.357 4.883 1.00 0.00 C ATOM 912 CE LYS A 62 -10.129 19.344 5.773 1.00 0.00 C ATOM 913 NZ LYS A 62 -10.433 20.617 5.064 1.00 0.00 N ATOM 0 H LYS A 62 -5.921 17.310 1.528 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.735 17.447 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.205 16.963 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.195 18.344 3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.338 18.751 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.944 19.869 4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.895 18.229 3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.332 17.382 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.059 18.883 6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.543 19.558 6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.938 21.402 5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.116 20.548 4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.458 20.791 5.087 1.00 0.00 H new ATOM 927 N ASN A 63 -7.606 20.099 0.675 1.00 0.00 N ATOM 928 CA ASN A 63 -7.927 21.432 0.181 1.00 0.00 C ATOM 929 C ASN A 63 -8.783 21.381 -1.098 1.00 0.00 C ATOM 930 O ASN A 63 -9.948 21.788 -1.062 1.00 0.00 O ATOM 931 CB ASN A 63 -6.623 22.208 -0.027 1.00 0.00 C ATOM 932 CG ASN A 63 -6.896 23.597 -0.571 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.609 24.392 0.027 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.342 23.944 -1.703 1.00 0.00 N ATOM 0 H ASN A 63 -6.793 19.688 0.217 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.535 21.952 0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.086 22.283 0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.978 21.664 -0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.504 24.875 -2.086 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.747 23.283 -2.203 1.00 0.00 H new ATOM 941 N CYS A 64 -8.233 20.880 -2.211 1.00 0.00 N ATOM 942 CA CYS A 64 -8.909 20.806 -3.507 1.00 0.00 C ATOM 943 C CYS A 64 -9.613 19.457 -3.799 1.00 0.00 C ATOM 944 O CYS A 64 -10.313 19.337 -4.811 1.00 0.00 O ATOM 945 CB CYS A 64 -7.906 21.216 -4.610 1.00 0.00 C ATOM 946 SG CYS A 64 -6.359 20.234 -4.651 1.00 0.00 S ATOM 0 H CYS A 64 -7.284 20.507 -2.233 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.741 21.510 -3.486 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.399 21.131 -5.579 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.649 22.266 -4.474 1.00 0.00 H new ATOM 951 N HIS A 65 -9.459 18.445 -2.930 1.00 0.00 N ATOM 952 CA HIS A 65 -9.999 17.070 -3.073 1.00 0.00 C ATOM 953 C HIS A 65 -9.654 16.373 -4.396 1.00 0.00 C ATOM 954 O HIS A 65 -10.258 15.364 -4.765 1.00 0.00 O ATOM 955 CB HIS A 65 -11.465 16.973 -2.630 1.00 0.00 C ATOM 956 CG HIS A 65 -11.633 17.254 -1.155 1.00 0.00 C ATOM 957 ND1 HIS A 65 -12.104 18.430 -0.598 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.302 16.406 -0.129 1.00 0.00 C ATOM 959 CE1 HIS A 65 -12.076 18.296 0.744 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.599 17.071 1.050 1.00 0.00 N ATOM 0 H HIS A 65 -8.931 18.562 -2.065 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.450 16.457 -2.358 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.064 17.680 -3.204 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.846 15.977 -2.854 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.890 15.412 -0.222 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.385 19.046 1.457 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.477 16.697 1.991 1.00 0.00 H new ATOM 969 N HIS A 66 -8.619 16.861 -5.070 1.00 0.00 N ATOM 970 CA HIS A 66 -8.009 16.223 -6.225 1.00 0.00 C ATOM 971 C HIS A 66 -7.338 14.923 -5.742 1.00 0.00 C ATOM 972 O HIS A 66 -6.821 14.870 -4.619 1.00 0.00 O ATOM 973 CB HIS A 66 -6.992 17.197 -6.812 1.00 0.00 C ATOM 974 CG HIS A 66 -5.652 16.616 -7.129 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.271 16.013 -8.307 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.528 16.846 -6.386 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.929 15.987 -8.316 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.440 16.526 -7.185 1.00 0.00 N ATOM 0 H HIS A 66 -8.168 17.741 -4.817 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.737 15.974 -6.997 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.409 17.624 -7.724 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.855 18.019 -6.109 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.890 15.655 -9.034 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.493 17.208 -5.369 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.326 15.589 -9.119 1.00 0.00 H new ATOM 986 N VAL A 67 -7.319 13.880 -6.573 1.00 0.00 N ATOM 987 CA VAL A 67 -6.657 12.615 -6.232 1.00 0.00 C ATOM 988 C VAL A 67 -5.138 12.781 -6.345 1.00 0.00 C ATOM 989 O VAL A 67 -4.579 12.781 -7.445 1.00 0.00 O ATOM 990 CB VAL A 67 -7.185 11.455 -7.094 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.437 10.156 -6.794 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.675 11.203 -6.820 1.00 0.00 C ATOM 0 H VAL A 67 -7.757 13.885 -7.494 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.892 12.357 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.032 11.744 -8.134 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.833 9.355 -7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.376 10.290 -7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.568 9.895 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.025 10.379 -7.441 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.814 10.950 -5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.245 12.102 -7.055 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.484 12.909 -5.188 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.030 13.060 -5.042 1.00 0.00 C ATOM 1004 C ILE A 68 -2.292 11.850 -5.630 1.00 0.00 C ATOM 1005 O ILE A 68 -1.295 11.991 -6.344 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.696 13.246 -3.542 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.119 14.681 -3.163 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.214 12.969 -3.198 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.987 14.992 -1.677 1.00 0.00 C ATOM 0 H ILE A 68 -4.970 12.911 -4.291 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.697 13.938 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.244 12.508 -2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.512 15.389 -3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.155 14.836 -3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.054 13.119 -2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.965 11.941 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.576 13.652 -3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.303 16.018 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.615 14.309 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.948 14.871 -1.371 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.785 10.650 -5.309 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.190 9.377 -5.698 1.00 0.00 C ATOM 1023 C ALA A 69 -3.174 8.203 -5.528 1.00 0.00 C ATOM 1024 O ALA A 69 -4.171 8.314 -4.811 1.00 0.00 O ATOM 1025 CB ALA A 69 -0.961 9.184 -4.790 1.00 0.00 C ATOM 0 H ALA A 69 -3.634 10.539 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.919 9.392 -6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.471 8.242 -5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.263 10.007 -4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.278 9.167 -3.747 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.851 7.058 -6.140 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.578 5.785 -6.005 1.00 0.00 C ATOM 1033 C ARG A 70 -2.711 4.808 -5.219 1.00 0.00 C ATOM 1034 O ARG A 70 -1.496 4.790 -5.414 1.00 0.00 O ATOM 1035 CB ARG A 70 -3.864 5.138 -7.365 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.139 5.609 -8.058 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.107 7.094 -8.447 1.00 0.00 C ATOM 1038 NE ARG A 70 -5.808 7.363 -9.721 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.109 7.429 -9.947 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -8.004 7.265 -9.019 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -7.546 7.667 -11.152 1.00 0.00 N ATOM 0 H ARG A 70 -2.048 6.987 -6.765 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.523 5.999 -5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.019 5.332 -8.025 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.922 4.058 -7.230 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.300 5.009 -8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.989 5.432 -7.399 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.565 7.684 -7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.071 7.422 -8.530 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.209 7.518 -10.532 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.715 7.075 -8.060 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.996 7.327 -9.250 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.885 7.802 -11.917 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.549 7.719 -11.330 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.361 3.971 -4.414 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.733 2.966 -3.549 1.00 0.00 C ATOM 1057 C HIS A 71 -3.318 1.574 -3.769 1.00 0.00 C ATOM 1058 O HIS A 71 -4.534 1.399 -3.863 1.00 0.00 O ATOM 1059 CB HIS A 71 -2.988 3.349 -2.083 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.073 2.677 -1.078 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.070 3.357 -0.386 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.054 1.355 -0.696 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.470 2.446 0.394 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.054 1.243 0.249 1.00 0.00 N ATOM 0 H HIS A 71 -4.378 3.971 -4.341 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.670 2.942 -3.789 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.884 4.429 -1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.020 3.104 -1.833 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.693 0.565 -1.062 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.365 2.650 1.047 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.801 0.392 0.752 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.459 0.565 -3.787 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.835 -0.838 -3.872 1.00 0.00 C ATOM 1074 C GLU A 72 -1.932 -1.645 -2.935 1.00 0.00 C ATOM 1075 O GLU A 72 -0.710 -1.506 -2.943 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.735 -1.320 -5.330 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.792 -2.848 -5.450 1.00 0.00 C ATOM 1078 CD GLU A 72 -2.961 -3.282 -6.919 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.117 -3.371 -7.399 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -1.942 -3.539 -7.603 1.00 0.00 O ATOM 0 H GLU A 72 -1.450 0.705 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.869 -0.978 -3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.548 -0.883 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.803 -0.959 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.880 -3.282 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.621 -3.232 -4.856 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.538 -2.522 -2.145 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.866 -3.471 -1.268 1.00 0.00 C ATOM 1089 C TYR A 73 -2.519 -4.826 -1.514 1.00 0.00 C ATOM 1090 O TYR A 73 -3.740 -4.953 -1.438 1.00 0.00 O ATOM 1091 CB TYR A 73 -1.975 -3.045 0.202 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.768 -4.175 1.205 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.516 -4.807 1.354 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.860 -4.630 1.965 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.351 -5.864 2.269 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.700 -5.669 2.898 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.437 -6.273 3.072 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.264 -7.241 4.014 1.00 0.00 O ATOM 0 H TYR A 73 -3.554 -2.594 -2.096 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.799 -3.516 -1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.239 -2.264 0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.958 -2.605 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.324 -4.477 0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.831 -4.177 1.831 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.604 -6.361 2.356 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.544 -6.005 3.482 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.499 -7.802 3.770 1.00 0.00 H new ATOM 1108 N THR A 74 -1.726 -5.842 -1.825 1.00 0.00 N ATOM 1109 CA THR A 74 -2.232 -7.195 -2.079 1.00 0.00 C ATOM 1110 C THR A 74 -1.436 -8.179 -1.220 1.00 0.00 C ATOM 1111 O THR A 74 -0.214 -8.082 -1.087 1.00 0.00 O ATOM 1112 CB THR A 74 -2.211 -7.574 -3.579 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.013 -8.188 -3.996 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.425 -6.390 -4.539 1.00 0.00 C ATOM 0 H THR A 74 -0.713 -5.757 -1.910 1.00 0.00 H new ATOM 0 HA THR A 74 -3.284 -7.236 -1.798 1.00 0.00 H new ATOM 0 HB THR A 74 -3.049 -8.269 -3.639 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.272 -7.553 -3.907 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.395 -6.746 -5.569 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.394 -5.932 -4.341 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.637 -5.652 -4.388 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.129 -9.118 -0.586 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.533 -10.114 0.307 1.00 0.00 C ATOM 1124 C PHE A 75 -2.018 -11.525 -0.066 1.00 0.00 C ATOM 1125 O PHE A 75 -3.219 -11.741 -0.128 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.901 -9.765 1.752 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.683 -10.919 2.700 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.374 -11.236 3.078 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.752 -11.745 3.102 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.121 -12.363 3.861 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.495 -12.887 3.882 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.174 -13.196 4.256 1.00 0.00 C ATOM 0 H PHE A 75 -3.140 -9.213 -0.678 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.448 -10.103 0.204 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.305 -8.913 2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.946 -9.458 1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.444 -10.606 2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.764 -11.502 2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.890 -12.593 4.163 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.309 -13.525 4.193 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.973 -14.076 4.848 1.00 0.00 H new ATOM 1142 N SER A 76 -1.123 -12.490 -0.279 1.00 0.00 N ATOM 1143 CA SER A 76 -1.401 -13.882 -0.697 1.00 0.00 C ATOM 1144 C SER A 76 -0.784 -14.933 0.221 1.00 0.00 C ATOM 1145 O SER A 76 0.347 -14.770 0.659 1.00 0.00 O ATOM 1146 CB SER A 76 -0.825 -14.143 -2.100 1.00 0.00 C ATOM 1147 OG SER A 76 -1.763 -13.844 -3.116 1.00 0.00 O ATOM 0 H SER A 76 -0.124 -12.321 -0.160 1.00 0.00 H new ATOM 0 HA SER A 76 -2.487 -13.974 -0.666 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.071 -13.539 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.522 -15.187 -2.180 1.00 0.00 H new ATOM 0 HG SER A 76 -1.363 -14.020 -3.993 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.470 -16.053 0.467 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.858 -17.194 1.185 1.00 0.00 C ATOM 1155 C ILE A 77 -0.763 -18.372 0.213 1.00 0.00 C ATOM 1156 O ILE A 77 -1.786 -18.838 -0.299 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.694 -17.593 2.425 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.954 -16.352 3.297 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.006 -18.737 3.200 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.414 -16.633 4.730 1.00 0.00 C ATOM 0 H ILE A 77 -2.439 -16.201 0.186 1.00 0.00 H new ATOM 0 HA ILE A 77 0.132 -16.909 1.539 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.664 -17.977 2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.039 -15.761 3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.709 -15.737 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.609 -19.003 4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.903 -19.606 2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.020 -18.411 3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.568 -15.690 5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.349 -17.193 4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.653 -17.217 5.248 1.00 0.00 H new ATOM 1172 N MET A 78 0.454 -18.877 -0.018 1.00 0.00 N ATOM 1173 CA MET A 78 0.716 -20.075 -0.829 1.00 0.00 C ATOM 1174 C MET A 78 1.413 -21.217 -0.082 1.00 0.00 C ATOM 1175 O MET A 78 2.543 -21.040 0.371 1.00 0.00 O ATOM 1176 CB MET A 78 1.229 -19.776 -2.245 1.00 0.00 C ATOM 1177 CG MET A 78 2.484 -18.929 -2.365 1.00 0.00 C ATOM 1178 SD MET A 78 2.345 -17.205 -1.833 1.00 0.00 S ATOM 1179 CE MET A 78 3.416 -17.330 -0.389 1.00 0.00 C ATOM 0 H MET A 78 1.303 -18.457 0.361 1.00 0.00 H new ATOM 0 HA MET A 78 -0.269 -20.501 -1.018 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.414 -20.727 -2.745 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.431 -19.277 -2.795 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.274 -19.404 -1.782 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.806 -18.940 -3.406 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.208 -16.504 0.291 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.230 -18.275 0.121 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.458 -17.287 -0.704 1.00 0.00 H new ATOM 1189 N ASP A 79 0.774 -22.390 -0.029 1.00 0.00 N ATOM 1190 CA ASP A 79 1.244 -23.674 0.531 1.00 0.00 C ATOM 1191 C ASP A 79 1.724 -23.662 2.001 1.00 0.00 C ATOM 1192 O ASP A 79 1.064 -24.235 2.872 1.00 0.00 O ATOM 1193 CB ASP A 79 2.323 -24.237 -0.413 1.00 0.00 C ATOM 1194 CG ASP A 79 2.686 -25.710 -0.141 1.00 0.00 C ATOM 1195 OD1 ASP A 79 1.808 -26.498 0.285 1.00 0.00 O ATOM 1196 OD2 ASP A 79 3.847 -26.101 -0.411 1.00 0.00 O ATOM 0 H ASP A 79 -0.169 -22.480 -0.409 1.00 0.00 H new ATOM 0 HA ASP A 79 0.368 -24.320 0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.976 -24.143 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.223 -23.629 -0.323 1.00 0.00 H new ATOM 1201 N GLU A 80 2.844 -22.999 2.291 1.00 0.00 N ATOM 1202 CA GLU A 80 3.450 -22.865 3.625 1.00 0.00 C ATOM 1203 C GLU A 80 3.972 -21.449 3.897 1.00 0.00 C ATOM 1204 O GLU A 80 4.607 -21.230 4.927 1.00 0.00 O ATOM 1205 CB GLU A 80 4.652 -23.813 3.809 1.00 0.00 C ATOM 1206 CG GLU A 80 4.451 -25.239 3.304 1.00 0.00 C ATOM 1207 CD GLU A 80 5.578 -26.171 3.792 1.00 0.00 C ATOM 1208 OE1 GLU A 80 6.704 -26.124 3.236 1.00 0.00 O ATOM 1209 OE2 GLU A 80 5.344 -26.971 4.731 1.00 0.00 O ATOM 0 H GLU A 80 3.382 -22.516 1.571 1.00 0.00 H new ATOM 0 HA GLU A 80 2.646 -23.112 4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.513 -23.383 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.900 -23.854 4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.489 -25.617 3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.422 -25.240 2.214 1.00 0.00 H new ATOM 1216 N PHE A 81 3.772 -20.485 2.993 1.00 0.00 N ATOM 1217 CA PHE A 81 4.348 -19.150 3.183 1.00 0.00 C ATOM 1218 C PHE A 81 3.268 -18.083 2.954 1.00 0.00 C ATOM 1219 O PHE A 81 2.165 -18.362 2.476 1.00 0.00 O ATOM 1220 CB PHE A 81 5.499 -18.914 2.180 1.00 0.00 C ATOM 1221 CG PHE A 81 6.288 -20.124 1.713 1.00 0.00 C ATOM 1222 CD1 PHE A 81 6.965 -20.981 2.598 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.263 -20.426 0.339 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.668 -22.095 2.104 1.00 0.00 C ATOM 1225 CE2 PHE A 81 6.954 -21.544 -0.157 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.669 -22.373 0.725 1.00 0.00 C ATOM 0 H PHE A 81 3.227 -20.599 2.139 1.00 0.00 H new ATOM 0 HA PHE A 81 4.733 -19.081 4.200 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.081 -18.426 1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.199 -18.211 2.632 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.945 -20.784 3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.709 -19.794 -0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.207 -22.737 2.784 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.936 -21.766 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.218 -23.222 0.345 1.00 0.00 H new ATOM 1236 N GLN A 82 3.623 -16.836 3.228 1.00 0.00 N ATOM 1237 CA GLN A 82 2.798 -15.652 3.016 1.00 0.00 C ATOM 1238 C GLN A 82 3.558 -14.666 2.141 1.00 0.00 C ATOM 1239 O GLN A 82 4.757 -14.498 2.313 1.00 0.00 O ATOM 1240 CB GLN A 82 2.457 -14.959 4.342 1.00 0.00 C ATOM 1241 CG GLN A 82 2.351 -15.818 5.594 1.00 0.00 C ATOM 1242 CD GLN A 82 1.857 -14.997 6.782 1.00 0.00 C ATOM 1243 OE1 GLN A 82 2.453 -14.011 7.193 1.00 0.00 O ATOM 1244 NE2 GLN A 82 0.740 -15.358 7.371 1.00 0.00 N ATOM 0 H GLN A 82 4.536 -16.610 3.623 1.00 0.00 H new ATOM 0 HA GLN A 82 1.871 -15.969 2.538 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.214 -14.197 4.524 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.507 -14.440 4.212 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.669 -16.648 5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.324 -16.250 5.826 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.231 -16.178 7.040 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.382 -14.819 8.159 1.00 0.00 H new ATOM 1253 N GLU A 83 2.854 -13.970 1.266 1.00 0.00 N ATOM 1254 CA GLU A 83 3.340 -12.964 0.321 1.00 0.00 C ATOM 1255 C GLU A 83 2.620 -11.646 0.549 1.00 0.00 C ATOM 1256 O GLU A 83 1.395 -11.585 0.589 1.00 0.00 O ATOM 1257 CB GLU A 83 3.117 -13.369 -1.156 1.00 0.00 C ATOM 1258 CG GLU A 83 4.279 -14.150 -1.779 1.00 0.00 C ATOM 1259 CD GLU A 83 4.093 -14.469 -3.282 1.00 0.00 C ATOM 1260 OE1 GLU A 83 3.109 -14.019 -3.920 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.974 -15.155 -3.858 1.00 0.00 O ATOM 0 H GLU A 83 1.845 -14.100 1.187 1.00 0.00 H new ATOM 0 HA GLU A 83 4.411 -12.872 0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.212 -13.973 -1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.943 -12.469 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.197 -13.577 -1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.408 -15.085 -1.234 1.00 0.00 H new ATOM 1268 N TYR A 84 3.401 -10.584 0.643 1.00 0.00 N ATOM 1269 CA TYR A 84 2.938 -9.218 0.837 1.00 0.00 C ATOM 1270 C TYR A 84 3.442 -8.357 -0.304 1.00 0.00 C ATOM 1271 O TYR A 84 4.632 -8.393 -0.609 1.00 0.00 O ATOM 1272 CB TYR A 84 3.522 -8.669 2.138 1.00 0.00 C ATOM 1273 CG TYR A 84 2.990 -9.345 3.386 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.583 -10.532 3.866 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.855 -8.816 4.026 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.056 -11.182 4.999 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.346 -9.440 5.180 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.951 -10.618 5.680 1.00 0.00 C ATOM 1279 OH TYR A 84 1.436 -11.235 6.779 1.00 0.00 O ATOM 0 H TYR A 84 4.417 -10.651 0.584 1.00 0.00 H new ATOM 0 HA TYR A 84 1.849 -9.206 0.874 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.606 -8.778 2.112 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.310 -7.601 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.445 -10.944 3.362 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.375 -7.932 3.632 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.493 -12.106 5.346 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.490 -9.018 5.686 1.00 0.00 H new ATOM 0 HH TYR A 84 1.798 -12.143 6.844 1.00 0.00 H new ATOM 1289 N THR A 85 2.565 -7.579 -0.927 1.00 0.00 N ATOM 1290 CA THR A 85 2.949 -6.654 -1.995 1.00 0.00 C ATOM 1291 C THR A 85 2.178 -5.344 -1.836 1.00 0.00 C ATOM 1292 O THR A 85 1.011 -5.313 -1.449 1.00 0.00 O ATOM 1293 CB THR A 85 2.767 -7.223 -3.423 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.488 -6.950 -3.957 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.916 -8.746 -3.522 1.00 0.00 C ATOM 0 H THR A 85 1.569 -7.569 -0.709 1.00 0.00 H new ATOM 0 HA THR A 85 4.020 -6.482 -1.887 1.00 0.00 H new ATOM 0 HB THR A 85 3.563 -6.725 -3.976 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.423 -7.328 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.773 -9.059 -4.556 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.912 -9.037 -3.189 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.168 -9.227 -2.891 1.00 0.00 H new ATOM 1303 N MET A 86 2.833 -4.234 -2.132 1.00 0.00 N ATOM 1304 CA MET A 86 2.277 -2.886 -2.106 1.00 0.00 C ATOM 1305 C MET A 86 2.783 -2.116 -3.322 1.00 0.00 C ATOM 1306 O MET A 86 3.916 -2.295 -3.769 1.00 0.00 O ATOM 1307 CB MET A 86 2.655 -2.210 -0.787 1.00 0.00 C ATOM 1308 CG MET A 86 2.214 -0.748 -0.706 1.00 0.00 C ATOM 1309 SD MET A 86 2.711 0.099 0.817 1.00 0.00 S ATOM 1310 CE MET A 86 4.409 0.559 0.365 1.00 0.00 C ATOM 0 H MET A 86 3.814 -4.246 -2.411 1.00 0.00 H new ATOM 0 HA MET A 86 1.189 -2.911 -2.160 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.206 -2.763 0.038 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.736 -2.264 -0.656 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.627 -0.209 -1.559 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.129 -0.703 -0.795 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.926 0.950 1.242 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.937 -0.319 -0.006 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.384 1.323 -0.412 1.00 0.00 H new ATOM 1320 N LEU A 87 1.913 -1.267 -3.850 1.00 0.00 N ATOM 1321 CA LEU A 87 2.138 -0.417 -5.016 1.00 0.00 C ATOM 1322 C LEU A 87 1.287 0.867 -4.906 1.00 0.00 C ATOM 1323 O LEU A 87 0.075 0.853 -5.120 1.00 0.00 O ATOM 1324 CB LEU A 87 1.747 -1.219 -6.271 1.00 0.00 C ATOM 1325 CG LEU A 87 2.122 -0.514 -7.574 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.552 -0.853 -7.965 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.200 -0.899 -8.726 1.00 0.00 C ATOM 0 H LEU A 87 0.980 -1.144 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 87 3.185 -0.121 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.235 -2.193 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.672 -1.400 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 87 2.019 0.556 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.805 -0.344 -8.895 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.231 -0.528 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.646 -1.930 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.507 -0.372 -9.629 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.259 -1.974 -8.895 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.174 -0.626 -8.478 1.00 0.00 H new ATOM 1339 N CYS A 88 1.937 1.978 -4.586 1.00 0.00 N ATOM 1340 CA CYS A 88 1.355 3.307 -4.446 1.00 0.00 C ATOM 1341 C CYS A 88 2.324 4.363 -4.998 1.00 0.00 C ATOM 1342 O CYS A 88 3.532 4.309 -4.734 1.00 0.00 O ATOM 1343 CB CYS A 88 1.079 3.573 -2.963 1.00 0.00 C ATOM 1344 SG CYS A 88 0.509 5.285 -2.697 1.00 0.00 S ATOM 0 H CYS A 88 2.941 1.976 -4.407 1.00 0.00 H new ATOM 0 HA CYS A 88 0.423 3.362 -5.008 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.325 2.875 -2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.985 3.394 -2.384 1.00 0.00 H new ATOM 1349 N LEU A 89 1.792 5.334 -5.745 1.00 0.00 N ATOM 1350 CA LEU A 89 2.552 6.457 -6.299 1.00 0.00 C ATOM 1351 C LEU A 89 3.215 7.304 -5.199 1.00 0.00 C ATOM 1352 O LEU A 89 4.322 7.806 -5.406 1.00 0.00 O ATOM 1353 CB LEU A 89 1.599 7.286 -7.188 1.00 0.00 C ATOM 1354 CG LEU A 89 2.138 8.649 -7.662 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.351 8.527 -8.565 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.107 9.429 -8.474 1.00 0.00 C ATOM 0 H LEU A 89 0.801 5.362 -5.986 1.00 0.00 H new ATOM 0 HA LEU A 89 3.377 6.082 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.344 6.693 -8.066 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.674 7.454 -6.637 1.00 0.00 H new ATOM 0 HG LEU A 89 2.393 9.163 -6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.683 9.521 -8.865 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.155 8.023 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.088 7.950 -9.451 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.534 10.382 -8.785 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.826 8.852 -9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.223 9.610 -7.862 1.00 0.00 H new ATOM 1368 N LEU A 90 2.573 7.425 -4.034 1.00 0.00 N ATOM 1369 CA LEU A 90 3.057 8.175 -2.880 1.00 0.00 C ATOM 1370 C LEU A 90 3.757 7.260 -1.877 1.00 0.00 C ATOM 1371 O LEU A 90 4.940 7.455 -1.594 1.00 0.00 O ATOM 1372 CB LEU A 90 1.850 8.851 -2.200 1.00 0.00 C ATOM 1373 CG LEU A 90 2.162 9.450 -0.813 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.260 10.505 -0.890 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.915 10.084 -0.204 1.00 0.00 C ATOM 0 H LEU A 90 1.668 6.985 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 90 3.780 8.918 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.477 9.642 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.049 8.120 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 90 2.504 8.628 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.452 10.904 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.171 10.054 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.943 11.313 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.159 10.500 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.555 10.879 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.139 9.327 -0.093 1.00 0.00 H new ATOM 1387 N CYS A 91 3.024 6.313 -1.306 1.00 0.00 N ATOM 1388 CA CYS A 91 3.498 5.454 -0.241 1.00 0.00 C ATOM 1389 C CYS A 91 4.646 4.541 -0.679 1.00 0.00 C ATOM 1390 O CYS A 91 5.605 4.372 0.076 1.00 0.00 O ATOM 1391 CB CYS A 91 2.314 4.678 0.341 1.00 0.00 C ATOM 1392 SG CYS A 91 1.070 5.820 1.010 1.00 0.00 S ATOM 0 H CYS A 91 2.061 6.120 -1.581 1.00 0.00 H new ATOM 0 HA CYS A 91 3.927 6.078 0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.865 4.055 -0.432 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.662 4.009 1.128 1.00 0.00 H new ATOM 1397 N GLY A 92 4.582 4.001 -1.900 1.00 0.00 N ATOM 1398 CA GLY A 92 5.674 3.230 -2.486 1.00 0.00 C ATOM 1399 C GLY A 92 5.339 1.869 -3.083 1.00 0.00 C ATOM 1400 O GLY A 92 4.221 1.364 -2.974 1.00 0.00 O ATOM 0 H GLY A 92 3.768 4.089 -2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.130 3.836 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.431 3.081 -1.716 1.00 0.00 H new ATOM 1404 N LYS A 93 6.360 1.248 -3.683 1.00 0.00 N ATOM 1405 CA LYS A 93 6.319 -0.110 -4.232 1.00 0.00 C ATOM 1406 C LYS A 93 7.234 -1.032 -3.432 1.00 0.00 C ATOM 1407 O LYS A 93 8.446 -0.817 -3.371 1.00 0.00 O ATOM 1408 CB LYS A 93 6.663 -0.089 -5.722 1.00 0.00 C ATOM 1409 CG LYS A 93 6.865 -1.506 -6.299 1.00 0.00 C ATOM 1410 CD LYS A 93 7.163 -1.507 -7.807 1.00 0.00 C ATOM 1411 CE LYS A 93 8.511 -0.852 -8.140 1.00 0.00 C ATOM 1412 NZ LYS A 93 8.791 -0.893 -9.601 1.00 0.00 N ATOM 0 H LYS A 93 7.270 1.694 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 93 5.308 -0.508 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.865 0.413 -6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.570 0.495 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.686 -1.992 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.970 -2.099 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.161 -2.533 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.367 -0.979 -8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.508 0.183 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.308 -1.364 -7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.709 -0.442 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.818 -1.882 -9.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.042 -0.383 -10.112 1.00 0.00 H new ATOM 1426 N ALA A 94 6.646 -2.047 -2.813 1.00 0.00 N ATOM 1427 CA ALA A 94 7.339 -3.011 -1.969 1.00 0.00 C ATOM 1428 C ALA A 94 6.793 -4.448 -2.078 1.00 0.00 C ATOM 1429 O ALA A 94 5.638 -4.656 -2.449 1.00 0.00 O ATOM 1430 CB ALA A 94 7.262 -2.489 -0.533 1.00 0.00 C ATOM 0 H ALA A 94 5.645 -2.227 -2.886 1.00 0.00 H new ATOM 0 HA ALA A 94 8.372 -3.094 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.771 -3.184 0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.742 -1.512 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.218 -2.398 -0.234 1.00 0.00 H new ATOM 1436 N GLU A 95 7.617 -5.442 -1.734 1.00 0.00 N ATOM 1437 CA GLU A 95 7.235 -6.861 -1.691 1.00 0.00 C ATOM 1438 C GLU A 95 8.057 -7.626 -0.636 1.00 0.00 C ATOM 1439 O GLU A 95 9.267 -7.423 -0.520 1.00 0.00 O ATOM 1440 CB GLU A 95 7.410 -7.475 -3.090 1.00 0.00 C ATOM 1441 CG GLU A 95 7.109 -8.977 -3.171 1.00 0.00 C ATOM 1442 CD GLU A 95 7.235 -9.478 -4.622 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.252 -9.370 -5.397 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.320 -9.981 -5.005 1.00 0.00 O ATOM 0 H GLU A 95 8.590 -5.282 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 95 6.188 -6.941 -1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.758 -6.949 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.434 -7.305 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.798 -9.527 -2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.103 -9.172 -2.799 1.00 0.00 H new ATOM 1451 N ASP A 96 7.404 -8.506 0.129 1.00 0.00 N ATOM 1452 CA ASP A 96 7.992 -9.354 1.170 1.00 0.00 C ATOM 1453 C ASP A 96 7.364 -10.756 1.190 1.00 0.00 C ATOM 1454 O ASP A 96 6.190 -10.912 0.851 1.00 0.00 O ATOM 1455 CB ASP A 96 7.794 -8.708 2.554 1.00 0.00 C ATOM 1456 CG ASP A 96 8.866 -9.171 3.554 1.00 0.00 C ATOM 1457 OD1 ASP A 96 10.075 -9.036 3.248 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.503 -9.670 4.644 1.00 0.00 O ATOM 0 H ASP A 96 6.399 -8.654 0.034 1.00 0.00 H new ATOM 0 HA ASP A 96 9.054 -9.451 0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.830 -7.623 2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.805 -8.962 2.936 1.00 0.00 H new ATOM 1463 N THR A 97 8.108 -11.770 1.640 1.00 0.00 N ATOM 1464 CA THR A 97 7.585 -13.140 1.796 1.00 0.00 C ATOM 1465 C THR A 97 8.034 -13.752 3.128 1.00 0.00 C ATOM 1466 O THR A 97 9.205 -13.642 3.499 1.00 0.00 O ATOM 1467 CB THR A 97 7.979 -14.070 0.632 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.042 -13.394 -0.610 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.972 -15.206 0.461 1.00 0.00 C ATOM 0 H THR A 97 9.087 -11.670 1.907 1.00 0.00 H new ATOM 0 HA THR A 97 6.499 -13.051 1.787 1.00 0.00 H new ATOM 0 HB THR A 97 8.965 -14.452 0.897 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.297 -14.026 -1.314 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.280 -15.843 -0.368 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.931 -15.796 1.376 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.986 -14.790 0.253 1.00 0.00 H new ATOM 1477 N ILE A 98 7.107 -14.386 3.855 1.00 0.00 N ATOM 1478 CA ILE A 98 7.322 -14.994 5.180 1.00 0.00 C ATOM 1479 C ILE A 98 6.974 -16.478 5.161 1.00 0.00 C ATOM 1480 O ILE A 98 5.858 -16.842 4.810 1.00 0.00 O ATOM 1481 CB ILE A 98 6.464 -14.302 6.270 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.431 -12.768 6.099 1.00 0.00 C ATOM 1483 CG2 ILE A 98 6.984 -14.696 7.660 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.738 -11.992 7.226 1.00 0.00 C ATOM 0 H ILE A 98 6.148 -14.496 3.527 1.00 0.00 H new ATOM 0 HA ILE A 98 8.378 -14.864 5.417 1.00 0.00 H new ATOM 0 HB ILE A 98 5.435 -14.645 6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.456 -12.408 6.011 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.929 -12.535 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.380 -14.209 8.426 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.919 -15.777 7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.023 -14.382 7.763 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.771 -10.925 7.007 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.700 -12.314 7.305 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.250 -12.185 8.169 1.00 0.00 H new ATOM 1496 N SER A 99 7.878 -17.344 5.602 1.00 0.00 N ATOM 1497 CA SER A 99 7.599 -18.780 5.737 1.00 0.00 C ATOM 1498 C SER A 99 6.898 -19.046 7.074 1.00 0.00 C ATOM 1499 O SER A 99 7.304 -18.513 8.111 1.00 0.00 O ATOM 1500 CB SER A 99 8.882 -19.602 5.576 1.00 0.00 C ATOM 1501 OG SER A 99 9.916 -19.138 6.431 1.00 0.00 O ATOM 0 H SER A 99 8.824 -17.078 5.877 1.00 0.00 H new ATOM 0 HA SER A 99 6.926 -19.096 4.940 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.673 -20.649 5.794 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.218 -19.553 4.540 1.00 0.00 H new ATOM 0 HG SER A 99 10.718 -19.687 6.302 1.00 0.00 H new ATOM 1507 N ILE A 100 5.825 -19.843 7.061 1.00 0.00 N ATOM 1508 CA ILE A 100 4.995 -20.135 8.242 1.00 0.00 C ATOM 1509 C ILE A 100 4.679 -21.636 8.404 1.00 0.00 C ATOM 1510 O ILE A 100 5.150 -22.489 7.651 1.00 0.00 O ATOM 1511 CB ILE A 100 3.736 -19.215 8.286 1.00 0.00 C ATOM 1512 CG1 ILE A 100 2.813 -19.235 7.047 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.167 -17.756 8.529 1.00 0.00 C ATOM 1514 CD1 ILE A 100 1.988 -20.514 6.874 1.00 0.00 C ATOM 0 H ILE A 100 5.500 -20.313 6.216 1.00 0.00 H new ATOM 0 HA ILE A 100 5.587 -19.891 9.124 1.00 0.00 H new ATOM 0 HB ILE A 100 3.143 -19.632 9.100 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.131 -18.386 7.107 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.424 -19.091 6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.285 -17.116 8.559 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.698 -17.687 9.478 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.823 -17.431 7.722 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.373 -20.432 5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.658 -21.369 6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.345 -20.653 7.743 1.00 0.00 H new ATOM 1526 N LEU A 101 3.899 -21.956 9.439 1.00 0.00 N ATOM 1527 CA LEU A 101 3.476 -23.293 9.855 1.00 0.00 C ATOM 1528 C LEU A 101 1.978 -23.273 10.227 1.00 0.00 C ATOM 1529 O LEU A 101 1.437 -22.187 10.464 1.00 0.00 O ATOM 1530 CB LEU A 101 4.336 -23.654 11.086 1.00 0.00 C ATOM 1531 CG LEU A 101 5.815 -23.979 10.793 1.00 0.00 C ATOM 1532 CD1 LEU A 101 6.561 -24.188 12.111 1.00 0.00 C ATOM 1533 CD2 LEU A 101 5.977 -25.248 9.953 1.00 0.00 C ATOM 0 H LEU A 101 3.520 -21.234 10.052 1.00 0.00 H new ATOM 0 HA LEU A 101 3.607 -24.026 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.298 -22.823 11.790 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.885 -24.513 11.583 1.00 0.00 H new ATOM 0 HG LEU A 101 6.222 -23.137 10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.606 -24.418 11.905 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.501 -23.280 12.711 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.109 -25.015 12.658 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.036 -25.433 9.774 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.545 -26.095 10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.465 -25.121 8.999 1.00 0.00 H new ATOM 1545 N PRO A 102 1.294 -24.432 10.336 1.00 0.00 N ATOM 1546 CA PRO A 102 -0.123 -24.489 10.731 1.00 0.00 C ATOM 1547 C PRO A 102 -0.405 -23.902 12.130 1.00 0.00 C ATOM 1548 O PRO A 102 -1.544 -23.550 12.436 1.00 0.00 O ATOM 1549 CB PRO A 102 -0.526 -25.963 10.609 1.00 0.00 C ATOM 1550 CG PRO A 102 0.794 -26.717 10.756 1.00 0.00 C ATOM 1551 CD PRO A 102 1.798 -25.778 10.091 1.00 0.00 C ATOM 0 HA PRO A 102 -0.726 -23.856 10.079 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -1.238 -26.248 11.384 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.000 -26.170 9.649 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.042 -26.898 11.802 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.762 -27.689 10.263 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.795 -25.907 10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.876 -25.980 9.023 1.00 0.00 H new ATOM 1559 N ASP A 103 0.629 -23.740 12.966 1.00 0.00 N ATOM 1560 CA ASP A 103 0.571 -23.092 14.286 1.00 0.00 C ATOM 1561 C ASP A 103 0.465 -21.544 14.197 1.00 0.00 C ATOM 1562 O ASP A 103 0.338 -20.865 15.216 1.00 0.00 O ATOM 1563 CB ASP A 103 1.823 -23.521 15.072 1.00 0.00 C ATOM 1564 CG ASP A 103 1.758 -23.154 16.566 1.00 0.00 C ATOM 1565 OD1 ASP A 103 0.818 -23.611 17.263 1.00 0.00 O ATOM 1566 OD2 ASP A 103 2.679 -22.460 17.064 1.00 0.00 O ATOM 0 H ASP A 103 1.566 -24.069 12.734 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.336 -23.412 14.799 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.953 -24.599 14.975 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.701 -23.053 14.628 1.00 0.00 H new ATOM 1571 N ASP A 104 0.511 -20.980 12.980 1.00 0.00 N ATOM 1572 CA ASP A 104 0.442 -19.545 12.653 1.00 0.00 C ATOM 1573 C ASP A 104 1.437 -18.643 13.443 1.00 0.00 C ATOM 1574 O ASP A 104 1.018 -17.683 14.102 1.00 0.00 O ATOM 1575 CB ASP A 104 -1.034 -19.099 12.716 1.00 0.00 C ATOM 1576 CG ASP A 104 -1.297 -17.711 12.109 1.00 0.00 C ATOM 1577 OD1 ASP A 104 -0.535 -17.254 11.228 1.00 0.00 O ATOM 1578 OD2 ASP A 104 -2.310 -17.072 12.480 1.00 0.00 O ATOM 0 H ASP A 104 0.604 -21.552 12.141 1.00 0.00 H new ATOM 0 HA ASP A 104 0.801 -19.405 11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.647 -19.834 12.194 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.357 -19.096 13.757 1.00 0.00 H new ATOM 1583 N PRO A 105 2.760 -18.937 13.417 1.00 0.00 N ATOM 1584 CA PRO A 105 3.778 -18.188 14.169 1.00 0.00 C ATOM 1585 C PRO A 105 4.153 -16.810 13.585 1.00 0.00 C ATOM 1586 O PRO A 105 4.635 -15.952 14.328 1.00 0.00 O ATOM 1587 CB PRO A 105 5.004 -19.110 14.180 1.00 0.00 C ATOM 1588 CG PRO A 105 4.898 -19.852 12.849 1.00 0.00 C ATOM 1589 CD PRO A 105 3.389 -20.040 12.698 1.00 0.00 C ATOM 0 HA PRO A 105 3.386 -17.945 15.157 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.933 -18.544 14.252 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.983 -19.797 15.026 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.320 -19.274 12.027 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.426 -20.805 12.872 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.100 -20.033 11.647 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.075 -21.000 13.108 1.00 0.00 H new ATOM 1597 N ARG A 106 3.953 -16.590 12.273 1.00 0.00 N ATOM 1598 CA ARG A 106 4.267 -15.347 11.520 1.00 0.00 C ATOM 1599 C ARG A 106 5.664 -14.751 11.801 1.00 0.00 C ATOM 1600 O ARG A 106 5.835 -13.532 11.832 1.00 0.00 O ATOM 1601 CB ARG A 106 3.134 -14.312 11.698 1.00 0.00 C ATOM 1602 CG ARG A 106 1.744 -14.888 11.401 1.00 0.00 C ATOM 1603 CD ARG A 106 0.667 -13.800 11.415 1.00 0.00 C ATOM 1604 NE ARG A 106 -0.671 -14.412 11.408 1.00 0.00 N ATOM 1605 CZ ARG A 106 -1.836 -13.800 11.466 1.00 0.00 C ATOM 1606 NH1 ARG A 106 -1.953 -12.504 11.377 1.00 0.00 N ATOM 1607 NH2 ARG A 106 -2.916 -14.503 11.629 1.00 0.00 N ATOM 0 H ARG A 106 3.547 -17.307 11.672 1.00 0.00 H new ATOM 0 HA ARG A 106 4.319 -15.634 10.470 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.153 -13.933 12.720 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.318 -13.463 11.039 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.753 -15.379 10.428 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.500 -15.651 12.140 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.784 -13.173 12.299 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.783 -13.151 10.547 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.700 -15.430 11.352 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.123 -11.924 11.258 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.875 -12.071 11.427 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.856 -15.518 11.711 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.824 -14.040 11.675 1.00 0.00 H new ATOM 1621 N GLN A 107 6.666 -15.614 12.015 1.00 0.00 N ATOM 1622 CA GLN A 107 8.063 -15.270 12.340 1.00 0.00 C ATOM 1623 C GLN A 107 8.184 -14.135 13.371 1.00 0.00 C ATOM 1624 O GLN A 107 8.662 -14.345 14.495 1.00 0.00 O ATOM 1625 CB GLN A 107 8.847 -14.922 11.060 1.00 0.00 C ATOM 1626 CG GLN A 107 8.941 -16.071 10.039 1.00 0.00 C ATOM 1627 CD GLN A 107 9.733 -17.289 10.524 1.00 0.00 C ATOM 1628 OE1 GLN A 107 10.603 -17.220 11.383 1.00 0.00 O ATOM 1629 NE2 GLN A 107 9.459 -18.459 9.991 1.00 0.00 N ATOM 0 H GLN A 107 6.520 -16.622 11.964 1.00 0.00 H new ATOM 0 HA GLN A 107 8.499 -16.156 12.802 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.374 -14.064 10.581 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.856 -14.616 11.338 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.932 -16.390 9.777 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.403 -15.693 9.127 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.738 -18.536 9.274 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.968 -19.289 10.294 1.00 0.00 H new TER 1638 GLN A 107 HETATM 1639 ZN ZN A 108 -1.789 17.480 -6.377 1.00 0.00 ZN HETATM 1640 ZN ZN A 109 -4.280 20.107 -3.708 1.00 0.00 ZN HETATM 1641 ZN ZN A 110 -0.419 5.311 -0.633 1.00 0.00 ZN