USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 545 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 32 HIS HD1 : A 32 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0158 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0162 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00976 USER MOD Single : A 8 ASN : amide:sc=-0.00298 X(o=-0.003,f=-0.19) USER MOD Single : A 10 GLN : amide:sc=-0.00853 K(o=-0.0085,f=-0.65) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 55:sc= 0.145 USER MOD Single : A 27 SER OG : rot 44:sc= 0.0122 USER MOD Single : A 33 SER OG : rot 180:sc= 0.00373 USER MOD Single : A 40 THR OG1 : rot 81:sc= 1.29 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -117:sc= 1.26 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0392 USER MOD Single : A 62 SER OG : rot 91:sc= 0.105 USER MOD Single : A 63 TYR OH : rot 30:sc= -0.34 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.0864 K(o=-0.086,f=-0.82) USER MOD Single : A 69 GLN : amide:sc=-0.00492 K(o=-0.0049,f=-1) USER MOD Single : A 71 ASN : amide:sc=-0.00354 K(o=-0.0035,f=-1.3) USER MOD Single : A 72 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.73) USER MOD Single : A 73 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.015) USER MOD Single : A 76 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.326 -9.900 -9.445 1.00 0.00 N ATOM 2 CA GLY A 1 24.595 -10.528 -9.763 1.00 0.00 C ATOM 3 C GLY A 1 25.121 -11.380 -8.625 1.00 0.00 C ATOM 4 O GLY A 1 24.961 -11.033 -7.455 1.00 0.00 O ATOM 0 H1 GLY A 1 23.330 -8.917 -9.785 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.555 -10.422 -9.907 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.182 -9.910 -8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.478 -11.147 -10.652 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.328 -9.758 -10.005 1.00 0.00 H new ATOM 8 N SER A 2 25.749 -12.500 -8.968 1.00 0.00 N ATOM 9 CA SER A 2 26.296 -13.408 -7.966 1.00 0.00 C ATOM 10 C SER A 2 27.820 -13.440 -8.036 1.00 0.00 C ATOM 11 O SER A 2 28.504 -13.098 -7.072 1.00 0.00 O ATOM 12 CB SER A 2 25.734 -14.817 -8.164 1.00 0.00 C ATOM 13 OG SER A 2 26.362 -15.742 -7.293 1.00 0.00 O ATOM 0 H SER A 2 25.892 -12.801 -9.932 1.00 0.00 H new ATOM 0 HA SER A 2 26.003 -13.043 -6.981 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.659 -14.813 -7.982 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.881 -15.129 -9.198 1.00 0.00 H new ATOM 0 HG SER A 2 25.985 -16.635 -7.437 1.00 0.00 H new ATOM 19 N SER A 3 28.344 -13.855 -9.185 1.00 0.00 N ATOM 20 CA SER A 3 29.787 -13.937 -9.382 1.00 0.00 C ATOM 21 C SER A 3 30.437 -12.568 -9.206 1.00 0.00 C ATOM 22 O SER A 3 29.756 -11.544 -9.168 1.00 0.00 O ATOM 23 CB SER A 3 30.103 -14.489 -10.773 1.00 0.00 C ATOM 24 OG SER A 3 31.473 -14.831 -10.886 1.00 0.00 O ATOM 0 H SER A 3 27.791 -14.140 -9.994 1.00 0.00 H new ATOM 0 HA SER A 3 30.194 -14.613 -8.630 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.488 -15.368 -10.967 1.00 0.00 H new ATOM 0 HB3 SER A 3 29.846 -13.747 -11.529 1.00 0.00 H new ATOM 0 HG SER A 3 31.649 -15.183 -11.783 1.00 0.00 H new ATOM 30 N GLY A 4 31.762 -12.559 -9.098 1.00 0.00 N ATOM 31 CA GLY A 4 32.484 -11.312 -8.927 1.00 0.00 C ATOM 32 C GLY A 4 32.055 -10.559 -7.684 1.00 0.00 C ATOM 33 O GLY A 4 31.639 -11.165 -6.696 1.00 0.00 O ATOM 0 H GLY A 4 32.348 -13.393 -9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 4 33.553 -11.519 -8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 4 32.327 -10.682 -9.802 1.00 0.00 H new ATOM 37 N SER A 5 32.158 -9.235 -7.730 1.00 0.00 N ATOM 38 CA SER A 5 31.783 -8.398 -6.596 1.00 0.00 C ATOM 39 C SER A 5 31.183 -7.078 -7.070 1.00 0.00 C ATOM 40 O SER A 5 31.607 -6.518 -8.081 1.00 0.00 O ATOM 41 CB SER A 5 32.999 -8.130 -5.708 1.00 0.00 C ATOM 42 OG SER A 5 32.664 -7.278 -4.627 1.00 0.00 O ATOM 0 H SER A 5 32.498 -8.718 -8.541 1.00 0.00 H new ATOM 0 HA SER A 5 31.030 -8.931 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 5 33.388 -9.073 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 5 33.793 -7.675 -6.301 1.00 0.00 H new ATOM 0 HG SER A 5 33.458 -7.124 -4.074 1.00 0.00 H new ATOM 48 N SER A 6 30.193 -6.586 -6.331 1.00 0.00 N ATOM 49 CA SER A 6 29.532 -5.333 -6.676 1.00 0.00 C ATOM 50 C SER A 6 29.936 -4.222 -5.713 1.00 0.00 C ATOM 51 O SER A 6 30.161 -3.083 -6.120 1.00 0.00 O ATOM 52 CB SER A 6 28.012 -5.512 -6.657 1.00 0.00 C ATOM 53 OG SER A 6 27.624 -6.470 -5.687 1.00 0.00 O ATOM 0 H SER A 6 29.832 -7.036 -5.490 1.00 0.00 H new ATOM 0 HA SER A 6 29.846 -5.050 -7.681 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.533 -4.557 -6.442 1.00 0.00 H new ATOM 0 HB3 SER A 6 27.667 -5.827 -7.642 1.00 0.00 H new ATOM 0 HG SER A 6 26.649 -6.565 -5.693 1.00 0.00 H new ATOM 59 N GLY A 7 30.027 -4.562 -4.431 1.00 0.00 N ATOM 60 CA GLY A 7 30.404 -3.583 -3.428 1.00 0.00 C ATOM 61 C GLY A 7 29.583 -3.706 -2.160 1.00 0.00 C ATOM 62 O GLY A 7 29.883 -4.527 -1.295 1.00 0.00 O ATOM 0 H GLY A 7 29.846 -5.498 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 7 31.460 -3.703 -3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 7 30.283 -2.581 -3.840 1.00 0.00 H new ATOM 66 N ASN A 8 28.543 -2.885 -2.049 1.00 0.00 N ATOM 67 CA ASN A 8 27.676 -2.904 -0.876 1.00 0.00 C ATOM 68 C ASN A 8 26.474 -1.986 -1.073 1.00 0.00 C ATOM 69 O ASN A 8 26.554 -0.984 -1.784 1.00 0.00 O ATOM 70 CB ASN A 8 28.458 -2.478 0.368 1.00 0.00 C ATOM 71 CG ASN A 8 28.828 -1.008 0.344 1.00 0.00 C ATOM 72 OD1 ASN A 8 28.046 -0.153 0.761 1.00 0.00 O ATOM 73 ND2 ASN A 8 30.025 -0.707 -0.146 1.00 0.00 N ATOM 0 H ASN A 8 28.280 -2.199 -2.757 1.00 0.00 H new ATOM 0 HA ASN A 8 27.314 -3.923 -0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 8 27.862 -2.685 1.257 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.365 -3.077 0.446 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.329 0.266 -0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 8 30.640 -1.449 -0.480 1.00 0.00 H new ATOM 80 N VAL A 9 25.359 -2.335 -0.438 1.00 0.00 N ATOM 81 CA VAL A 9 24.140 -1.542 -0.541 1.00 0.00 C ATOM 82 C VAL A 9 23.222 -1.789 0.650 1.00 0.00 C ATOM 83 O VAL A 9 23.026 -2.929 1.070 1.00 0.00 O ATOM 84 CB VAL A 9 23.374 -1.858 -1.840 1.00 0.00 C ATOM 85 CG1 VAL A 9 22.997 -3.331 -1.893 1.00 0.00 C ATOM 86 CG2 VAL A 9 22.139 -0.978 -1.956 1.00 0.00 C ATOM 0 H VAL A 9 25.275 -3.162 0.153 1.00 0.00 H new ATOM 0 HA VAL A 9 24.443 -0.495 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 9 24.025 -1.644 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 9 22.457 -3.535 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 9 23.901 -3.939 -1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 9 22.363 -3.575 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 9 21.609 -1.214 -2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 9 21.483 -1.158 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 9 22.439 0.070 -1.967 1.00 0.00 H new ATOM 96 N GLN A 10 22.661 -0.711 1.191 1.00 0.00 N ATOM 97 CA GLN A 10 21.763 -0.811 2.335 1.00 0.00 C ATOM 98 C GLN A 10 20.398 -0.214 2.009 1.00 0.00 C ATOM 99 O GLN A 10 20.100 0.919 2.386 1.00 0.00 O ATOM 100 CB GLN A 10 22.367 -0.100 3.548 1.00 0.00 C ATOM 101 CG GLN A 10 23.787 -0.541 3.866 1.00 0.00 C ATOM 102 CD GLN A 10 23.870 -2.003 4.260 1.00 0.00 C ATOM 103 OE1 GLN A 10 22.932 -2.558 4.832 1.00 0.00 O ATOM 104 NE2 GLN A 10 24.997 -2.635 3.954 1.00 0.00 N ATOM 0 H GLN A 10 22.813 0.240 0.855 1.00 0.00 H new ATOM 0 HA GLN A 10 21.631 -1.867 2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 10 22.361 0.975 3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 10 21.735 -0.282 4.417 1.00 0.00 H new ATOM 0 HG2 GLN A 10 24.421 -0.366 2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 10 24.181 0.073 4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 10 25.749 -2.136 3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 10 25.111 -3.620 4.194 1.00 0.00 H new ATOM 113 N GLU A 11 19.573 -0.985 1.307 1.00 0.00 N ATOM 114 CA GLU A 11 18.240 -0.531 0.930 1.00 0.00 C ATOM 115 C GLU A 11 17.185 -1.566 1.311 1.00 0.00 C ATOM 116 O GLU A 11 17.510 -2.703 1.650 1.00 0.00 O ATOM 117 CB GLU A 11 18.178 -0.253 -0.573 1.00 0.00 C ATOM 118 CG GLU A 11 18.776 1.087 -0.969 1.00 0.00 C ATOM 119 CD GLU A 11 18.360 1.523 -2.361 1.00 0.00 C ATOM 120 OE1 GLU A 11 17.158 1.413 -2.681 1.00 0.00 O ATOM 121 OE2 GLU A 11 19.235 1.974 -3.128 1.00 0.00 O ATOM 0 H GLU A 11 19.804 -1.926 0.988 1.00 0.00 H new ATOM 0 HA GLU A 11 18.031 0.392 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.704 -1.047 -1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.138 -0.288 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 11 18.469 1.845 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.863 1.024 -0.922 1.00 0.00 H new ATOM 128 N GLU A 12 15.919 -1.162 1.251 1.00 0.00 N ATOM 129 CA GLU A 12 14.817 -2.053 1.591 1.00 0.00 C ATOM 130 C GLU A 12 13.869 -2.222 0.407 1.00 0.00 C ATOM 131 O GLU A 12 12.917 -1.459 0.245 1.00 0.00 O ATOM 132 CB GLU A 12 14.049 -1.513 2.799 1.00 0.00 C ATOM 133 CG GLU A 12 14.946 -1.080 3.947 1.00 0.00 C ATOM 134 CD GLU A 12 14.244 -1.135 5.289 1.00 0.00 C ATOM 135 OE1 GLU A 12 13.229 -0.427 5.457 1.00 0.00 O ATOM 136 OE2 GLU A 12 14.709 -1.885 6.173 1.00 0.00 O ATOM 0 H GLU A 12 15.632 -0.224 0.970 1.00 0.00 H new ATOM 0 HA GLU A 12 15.236 -3.028 1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.442 -0.664 2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 12 13.362 -2.281 3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.827 -1.721 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.296 -0.064 3.766 1.00 0.00 H new ATOM 143 N VAL A 13 14.138 -3.229 -0.419 1.00 0.00 N ATOM 144 CA VAL A 13 13.310 -3.500 -1.588 1.00 0.00 C ATOM 145 C VAL A 13 12.749 -4.917 -1.548 1.00 0.00 C ATOM 146 O VAL A 13 12.824 -5.655 -2.532 1.00 0.00 O ATOM 147 CB VAL A 13 14.104 -3.310 -2.894 1.00 0.00 C ATOM 148 CG1 VAL A 13 14.397 -1.837 -3.133 1.00 0.00 C ATOM 149 CG2 VAL A 13 15.392 -4.119 -2.856 1.00 0.00 C ATOM 0 H VAL A 13 14.922 -3.870 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 13 12.487 -2.786 -1.565 1.00 0.00 H new ATOM 0 HB VAL A 13 13.497 -3.673 -3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 13 14.959 -1.724 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.459 -1.287 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.984 -1.443 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 13 15.941 -3.973 -3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 13 16.005 -3.788 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 13 15.154 -5.176 -2.737 1.00 0.00 H new ATOM 159 N THR A 14 12.186 -5.293 -0.404 1.00 0.00 N ATOM 160 CA THR A 14 11.613 -6.622 -0.235 1.00 0.00 C ATOM 161 C THR A 14 10.193 -6.542 0.314 1.00 0.00 C ATOM 162 O THR A 14 9.967 -6.024 1.408 1.00 0.00 O ATOM 163 CB THR A 14 12.469 -7.486 0.710 1.00 0.00 C ATOM 164 OG1 THR A 14 13.267 -6.648 1.553 1.00 0.00 O ATOM 165 CG2 THR A 14 13.369 -8.424 -0.080 1.00 0.00 C ATOM 0 H THR A 14 12.115 -4.695 0.419 1.00 0.00 H new ATOM 0 HA THR A 14 11.593 -7.086 -1.221 1.00 0.00 H new ATOM 0 HB THR A 14 11.798 -8.085 1.325 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.807 -7.205 2.152 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.964 -9.024 0.609 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.757 -9.081 -0.698 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.032 -7.840 -0.718 1.00 0.00 H new ATOM 173 N CYS A 15 9.238 -7.060 -0.452 1.00 0.00 N ATOM 174 CA CYS A 15 7.839 -7.048 -0.043 1.00 0.00 C ATOM 175 C CYS A 15 7.679 -7.613 1.366 1.00 0.00 C ATOM 176 O CYS A 15 7.832 -8.812 1.602 1.00 0.00 O ATOM 177 CB CYS A 15 6.991 -7.855 -1.027 1.00 0.00 C ATOM 178 SG CYS A 15 5.195 -7.687 -0.774 1.00 0.00 S ATOM 0 H CYS A 15 9.408 -7.493 -1.360 1.00 0.00 H new ATOM 0 HA CYS A 15 7.496 -6.013 -0.042 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.235 -7.542 -2.042 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.262 -8.908 -0.945 1.00 0.00 H new ATOM 183 N PRO A 16 7.364 -6.731 2.325 1.00 0.00 N ATOM 184 CA PRO A 16 7.176 -7.118 3.727 1.00 0.00 C ATOM 185 C PRO A 16 5.911 -7.944 3.935 1.00 0.00 C ATOM 186 O PRO A 16 5.681 -8.482 5.018 1.00 0.00 O ATOM 187 CB PRO A 16 7.063 -5.776 4.454 1.00 0.00 C ATOM 188 CG PRO A 16 6.573 -4.824 3.418 1.00 0.00 C ATOM 189 CD PRO A 16 7.167 -5.286 2.116 1.00 0.00 C ATOM 0 HA PRO A 16 7.990 -7.747 4.089 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.371 -5.838 5.294 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.026 -5.462 4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.484 -4.824 3.372 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.882 -3.804 3.648 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.500 -5.089 1.277 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.108 -4.779 1.901 1.00 0.00 H new ATOM 197 N ILE A 17 5.095 -8.041 2.891 1.00 0.00 N ATOM 198 CA ILE A 17 3.854 -8.803 2.960 1.00 0.00 C ATOM 199 C ILE A 17 4.106 -10.287 2.714 1.00 0.00 C ATOM 200 O ILE A 17 3.968 -11.110 3.620 1.00 0.00 O ATOM 201 CB ILE A 17 2.823 -8.293 1.936 1.00 0.00 C ATOM 202 CG1 ILE A 17 2.689 -6.772 2.029 1.00 0.00 C ATOM 203 CG2 ILE A 17 1.476 -8.964 2.163 1.00 0.00 C ATOM 204 CD1 ILE A 17 1.756 -6.183 0.994 1.00 0.00 C ATOM 0 H ILE A 17 5.271 -7.602 1.987 1.00 0.00 H new ATOM 0 HA ILE A 17 3.455 -8.666 3.965 1.00 0.00 H new ATOM 0 HB ILE A 17 3.170 -8.547 0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.329 -6.507 3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.675 -6.321 1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.757 -8.594 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.584 -10.043 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.121 -8.737 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.710 -5.101 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.126 -6.417 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.759 -6.606 1.120 1.00 0.00 H new ATOM 216 N CYS A 18 4.480 -10.623 1.484 1.00 0.00 N ATOM 217 CA CYS A 18 4.753 -12.007 1.118 1.00 0.00 C ATOM 218 C CYS A 18 6.166 -12.410 1.532 1.00 0.00 C ATOM 219 O CYS A 18 6.491 -13.596 1.597 1.00 0.00 O ATOM 220 CB CYS A 18 4.576 -12.203 -0.389 1.00 0.00 C ATOM 221 SG CYS A 18 5.744 -11.245 -1.406 1.00 0.00 S ATOM 0 H CYS A 18 4.601 -9.954 0.723 1.00 0.00 H new ATOM 0 HA CYS A 18 4.043 -12.643 1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.691 -13.261 -0.623 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.559 -11.924 -0.664 1.00 0.00 H new ATOM 226 N LEU A 19 7.001 -11.415 1.809 1.00 0.00 N ATOM 227 CA LEU A 19 8.380 -11.665 2.217 1.00 0.00 C ATOM 228 C LEU A 19 9.151 -12.387 1.117 1.00 0.00 C ATOM 229 O LEU A 19 9.614 -13.510 1.306 1.00 0.00 O ATOM 230 CB LEU A 19 8.410 -12.491 3.504 1.00 0.00 C ATOM 231 CG LEU A 19 7.566 -11.960 4.663 1.00 0.00 C ATOM 232 CD1 LEU A 19 7.758 -12.821 5.902 1.00 0.00 C ATOM 233 CD2 LEU A 19 7.919 -10.510 4.959 1.00 0.00 C ATOM 0 H LEU A 19 6.748 -10.428 1.759 1.00 0.00 H new ATOM 0 HA LEU A 19 8.859 -10.703 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.076 -13.502 3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.444 -12.567 3.839 1.00 0.00 H new ATOM 0 HG LEU A 19 6.516 -12.006 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.150 -12.428 6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.454 -13.845 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.808 -12.808 6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.309 -10.149 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.973 -10.440 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.729 -9.901 4.075 1.00 0.00 H new ATOM 245 N GLU A 20 9.285 -11.731 -0.032 1.00 0.00 N ATOM 246 CA GLU A 20 10.002 -12.311 -1.162 1.00 0.00 C ATOM 247 C GLU A 20 10.547 -11.220 -2.079 1.00 0.00 C ATOM 248 O GLU A 20 10.186 -10.049 -1.952 1.00 0.00 O ATOM 249 CB GLU A 20 9.083 -13.245 -1.953 1.00 0.00 C ATOM 250 CG GLU A 20 9.130 -14.688 -1.481 1.00 0.00 C ATOM 251 CD GLU A 20 10.527 -15.275 -1.537 1.00 0.00 C ATOM 252 OE1 GLU A 20 11.285 -14.916 -2.461 1.00 0.00 O ATOM 253 OE2 GLU A 20 10.861 -16.094 -0.655 1.00 0.00 O ATOM 0 H GLU A 20 8.907 -10.799 -0.205 1.00 0.00 H new ATOM 0 HA GLU A 20 10.842 -12.885 -0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.058 -12.881 -1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.360 -13.207 -3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.757 -14.744 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.462 -15.290 -2.097 1.00 0.00 H new ATOM 260 N LEU A 21 11.419 -11.612 -3.001 1.00 0.00 N ATOM 261 CA LEU A 21 12.016 -10.668 -3.940 1.00 0.00 C ATOM 262 C LEU A 21 10.940 -9.850 -4.647 1.00 0.00 C ATOM 263 O LEU A 21 9.841 -10.342 -4.908 1.00 0.00 O ATOM 264 CB LEU A 21 12.867 -11.412 -4.970 1.00 0.00 C ATOM 265 CG LEU A 21 13.727 -10.540 -5.886 1.00 0.00 C ATOM 266 CD1 LEU A 21 14.767 -9.780 -5.076 1.00 0.00 C ATOM 267 CD2 LEU A 21 14.398 -11.389 -6.955 1.00 0.00 C ATOM 0 H LEU A 21 11.729 -12.577 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 21 12.653 -9.986 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.522 -12.103 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.205 -12.014 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 21 13.079 -9.816 -6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 21 15.370 -9.165 -5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.266 -9.142 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.411 -10.488 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.006 -10.752 -7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.033 -12.137 -6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.637 -11.888 -7.555 1.00 0.00 H new ATOM 279 N LEU A 22 11.264 -8.599 -4.957 1.00 0.00 N ATOM 280 CA LEU A 22 10.326 -7.712 -5.637 1.00 0.00 C ATOM 281 C LEU A 22 10.514 -7.777 -7.150 1.00 0.00 C ATOM 282 O LEU A 22 11.623 -7.989 -7.640 1.00 0.00 O ATOM 283 CB LEU A 22 10.509 -6.274 -5.151 1.00 0.00 C ATOM 284 CG LEU A 22 9.851 -5.928 -3.814 1.00 0.00 C ATOM 285 CD1 LEU A 22 10.260 -4.535 -3.362 1.00 0.00 C ATOM 286 CD2 LEU A 22 8.337 -6.033 -3.922 1.00 0.00 C ATOM 0 H LEU A 22 12.169 -8.176 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 22 9.315 -8.043 -5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.577 -6.072 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.114 -5.601 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 22 10.192 -6.644 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.782 -4.307 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.343 -4.494 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.949 -3.804 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.886 -5.783 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.978 -5.340 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.062 -7.051 -4.199 1.00 0.00 H new ATOM 298 N THR A 23 9.422 -7.592 -7.885 1.00 0.00 N ATOM 299 CA THR A 23 9.466 -7.628 -9.342 1.00 0.00 C ATOM 300 C THR A 23 8.785 -6.404 -9.943 1.00 0.00 C ATOM 301 O THR A 23 7.649 -6.481 -10.409 1.00 0.00 O ATOM 302 CB THR A 23 8.792 -8.899 -9.892 1.00 0.00 C ATOM 303 OG1 THR A 23 7.522 -9.093 -9.260 1.00 0.00 O ATOM 304 CG2 THR A 23 9.670 -10.120 -9.664 1.00 0.00 C ATOM 0 H THR A 23 8.496 -7.416 -7.495 1.00 0.00 H new ATOM 0 HA THR A 23 10.518 -7.631 -9.627 1.00 0.00 H new ATOM 0 HB THR A 23 8.647 -8.771 -10.965 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.973 -8.289 -9.375 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.173 -11.005 -10.061 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.624 -9.982 -10.172 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.843 -10.249 -8.596 1.00 0.00 H new ATOM 312 N GLU A 24 9.488 -5.276 -9.930 1.00 0.00 N ATOM 313 CA GLU A 24 8.950 -4.035 -10.475 1.00 0.00 C ATOM 314 C GLU A 24 7.720 -3.586 -9.692 1.00 0.00 C ATOM 315 O GLU A 24 6.595 -3.599 -10.192 1.00 0.00 O ATOM 316 CB GLU A 24 8.590 -4.214 -11.952 1.00 0.00 C ATOM 317 CG GLU A 24 9.675 -4.903 -12.763 1.00 0.00 C ATOM 318 CD GLU A 24 9.550 -4.635 -14.250 1.00 0.00 C ATOM 319 OE1 GLU A 24 8.581 -3.957 -14.652 1.00 0.00 O ATOM 320 OE2 GLU A 24 10.422 -5.104 -15.012 1.00 0.00 O ATOM 0 H GLU A 24 10.431 -5.196 -9.548 1.00 0.00 H new ATOM 0 HA GLU A 24 9.718 -3.266 -10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.670 -4.793 -12.025 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.387 -3.236 -12.389 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.652 -4.565 -12.417 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.629 -5.978 -12.586 1.00 0.00 H new ATOM 327 N PRO A 25 7.937 -3.178 -8.433 1.00 0.00 N ATOM 328 CA PRO A 25 6.859 -2.717 -7.553 1.00 0.00 C ATOM 329 C PRO A 25 6.286 -1.374 -7.993 1.00 0.00 C ATOM 330 O PRO A 25 6.611 -0.871 -9.069 1.00 0.00 O ATOM 331 CB PRO A 25 7.544 -2.586 -6.191 1.00 0.00 C ATOM 332 CG PRO A 25 8.982 -2.362 -6.510 1.00 0.00 C ATOM 333 CD PRO A 25 9.252 -3.136 -7.771 1.00 0.00 C ATOM 0 HA PRO A 25 6.011 -3.402 -7.554 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.131 -1.755 -5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.407 -3.486 -5.591 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.190 -1.301 -6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.620 -2.706 -5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.999 -2.643 -8.393 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.626 -4.137 -7.556 1.00 0.00 H new ATOM 341 N LEU A 26 5.434 -0.796 -7.154 1.00 0.00 N ATOM 342 CA LEU A 26 4.816 0.491 -7.456 1.00 0.00 C ATOM 343 C LEU A 26 4.889 1.425 -6.253 1.00 0.00 C ATOM 344 O LEU A 26 4.201 1.221 -5.252 1.00 0.00 O ATOM 345 CB LEU A 26 3.358 0.293 -7.875 1.00 0.00 C ATOM 346 CG LEU A 26 3.080 -0.897 -8.794 1.00 0.00 C ATOM 347 CD1 LEU A 26 1.584 -1.156 -8.894 1.00 0.00 C ATOM 348 CD2 LEU A 26 3.675 -0.656 -10.174 1.00 0.00 C ATOM 0 H LEU A 26 5.155 -1.198 -6.259 1.00 0.00 H new ATOM 0 HA LEU A 26 5.366 0.946 -8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.754 0.180 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.018 1.200 -8.375 1.00 0.00 H new ATOM 0 HG LEU A 26 3.553 -1.781 -8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.405 -2.006 -9.552 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.185 -1.374 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.088 -0.274 -9.299 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.467 -1.513 -10.814 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.231 0.239 -10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.753 -0.521 -10.087 1.00 0.00 H new ATOM 360 N SER A 27 5.725 2.453 -6.358 1.00 0.00 N ATOM 361 CA SER A 27 5.889 3.419 -5.278 1.00 0.00 C ATOM 362 C SER A 27 4.538 3.968 -4.830 1.00 0.00 C ATOM 363 O SER A 27 3.808 4.571 -5.618 1.00 0.00 O ATOM 364 CB SER A 27 6.796 4.567 -5.725 1.00 0.00 C ATOM 365 OG SER A 27 6.497 4.966 -7.052 1.00 0.00 O ATOM 0 H SER A 27 6.299 2.638 -7.180 1.00 0.00 H new ATOM 0 HA SER A 27 6.352 2.908 -4.434 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.674 5.415 -5.051 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.839 4.257 -5.661 1.00 0.00 H new ATOM 0 HG SER A 27 5.525 5.011 -7.169 1.00 0.00 H new ATOM 371 N LEU A 28 4.211 3.754 -3.561 1.00 0.00 N ATOM 372 CA LEU A 28 2.947 4.227 -3.006 1.00 0.00 C ATOM 373 C LEU A 28 3.012 5.719 -2.697 1.00 0.00 C ATOM 374 O LEU A 28 4.016 6.377 -2.973 1.00 0.00 O ATOM 375 CB LEU A 28 2.600 3.447 -1.737 1.00 0.00 C ATOM 376 CG LEU A 28 2.270 1.966 -1.929 1.00 0.00 C ATOM 377 CD1 LEU A 28 2.211 1.254 -0.586 1.00 0.00 C ATOM 378 CD2 LEU A 28 0.955 1.806 -2.677 1.00 0.00 C ATOM 0 H LEU A 28 4.803 3.256 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 28 2.168 4.062 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.439 3.525 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.747 3.930 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 28 3.062 1.511 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.975 0.201 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.176 1.339 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.440 1.710 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.736 0.746 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.153 2.276 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.033 2.281 -3.655 1.00 0.00 H new ATOM 390 N ASP A 29 1.938 6.247 -2.121 1.00 0.00 N ATOM 391 CA ASP A 29 1.874 7.661 -1.771 1.00 0.00 C ATOM 392 C ASP A 29 2.616 7.932 -0.466 1.00 0.00 C ATOM 393 O ASP A 29 3.090 9.043 -0.228 1.00 0.00 O ATOM 394 CB ASP A 29 0.418 8.112 -1.647 1.00 0.00 C ATOM 395 CG ASP A 29 -0.175 7.790 -0.290 1.00 0.00 C ATOM 396 OD1 ASP A 29 -0.017 6.639 0.169 1.00 0.00 O ATOM 397 OD2 ASP A 29 -0.797 8.688 0.314 1.00 0.00 O ATOM 0 H ASP A 29 1.099 5.717 -1.886 1.00 0.00 H new ATOM 0 HA ASP A 29 2.356 8.229 -2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.358 9.186 -1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.176 7.630 -2.423 1.00 0.00 H new ATOM 402 N CYS A 30 2.712 6.909 0.377 1.00 0.00 N ATOM 403 CA CYS A 30 3.394 7.036 1.659 1.00 0.00 C ATOM 404 C CYS A 30 4.888 6.761 1.510 1.00 0.00 C ATOM 405 O CYS A 30 5.701 7.253 2.290 1.00 0.00 O ATOM 406 CB CYS A 30 2.787 6.073 2.682 1.00 0.00 C ATOM 407 SG CYS A 30 3.127 4.316 2.342 1.00 0.00 S ATOM 0 H CYS A 30 2.326 5.983 0.195 1.00 0.00 H new ATOM 0 HA CYS A 30 3.264 8.059 2.011 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.171 6.321 3.671 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.708 6.224 2.712 1.00 0.00 H new ATOM 412 N GLY A 31 5.240 5.970 0.501 1.00 0.00 N ATOM 413 CA GLY A 31 6.635 5.643 0.267 1.00 0.00 C ATOM 414 C GLY A 31 6.939 4.181 0.531 1.00 0.00 C ATOM 415 O GLY A 31 7.895 3.856 1.237 1.00 0.00 O ATOM 0 H GLY A 31 4.585 5.550 -0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.894 5.885 -0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.263 6.263 0.907 1.00 0.00 H new ATOM 419 N HIS A 32 6.125 3.297 -0.035 1.00 0.00 N ATOM 420 CA HIS A 32 6.312 1.861 0.143 1.00 0.00 C ATOM 421 C HIS A 32 6.149 1.123 -1.182 1.00 0.00 C ATOM 422 O HIS A 32 5.289 1.466 -1.993 1.00 0.00 O ATOM 423 CB HIS A 32 5.314 1.319 1.168 1.00 0.00 C ATOM 424 CG HIS A 32 5.715 1.576 2.588 1.00 0.00 C ATOM 425 ND1 HIS A 32 4.823 1.544 3.639 1.00 0.00 N ATOM 426 CD2 HIS A 32 6.921 1.869 3.128 1.00 0.00 C ATOM 427 CE1 HIS A 32 5.463 1.807 4.764 1.00 0.00 C ATOM 428 NE2 HIS A 32 6.738 2.008 4.482 1.00 0.00 N ATOM 0 H HIS A 32 5.329 3.549 -0.621 1.00 0.00 H new ATOM 0 HA HIS A 32 7.325 1.694 0.509 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.339 1.771 0.987 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.201 0.245 1.020 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.854 1.974 2.594 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.019 1.850 5.748 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.467 2.230 5.159 1.00 0.00 H new ATOM 436 N SER A 33 6.982 0.109 -1.395 1.00 0.00 N ATOM 437 CA SER A 33 6.934 -0.674 -2.624 1.00 0.00 C ATOM 438 C SER A 33 6.473 -2.101 -2.341 1.00 0.00 C ATOM 439 O SER A 33 6.943 -2.742 -1.399 1.00 0.00 O ATOM 440 CB SER A 33 8.308 -0.694 -3.296 1.00 0.00 C ATOM 441 OG SER A 33 9.347 -0.684 -2.332 1.00 0.00 O ATOM 0 H SER A 33 7.698 -0.189 -0.732 1.00 0.00 H new ATOM 0 HA SER A 33 6.216 -0.205 -3.296 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.397 -1.582 -3.922 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.408 0.171 -3.952 1.00 0.00 H new ATOM 0 HG SER A 33 10.215 -0.699 -2.787 1.00 0.00 H new ATOM 447 N LEU A 34 5.552 -2.592 -3.161 1.00 0.00 N ATOM 448 CA LEU A 34 5.026 -3.944 -3.001 1.00 0.00 C ATOM 449 C LEU A 34 4.871 -4.632 -4.353 1.00 0.00 C ATOM 450 O LEU A 34 5.146 -4.041 -5.398 1.00 0.00 O ATOM 451 CB LEU A 34 3.679 -3.906 -2.278 1.00 0.00 C ATOM 452 CG LEU A 34 3.548 -2.875 -1.156 1.00 0.00 C ATOM 453 CD1 LEU A 34 2.103 -2.769 -0.694 1.00 0.00 C ATOM 454 CD2 LEU A 34 4.457 -3.237 0.010 1.00 0.00 C ATOM 0 H LEU A 34 5.153 -2.075 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 34 5.736 -4.515 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.899 -3.713 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.485 -4.894 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 34 3.856 -1.904 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.030 -2.031 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.475 -2.462 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.767 -3.738 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.351 -2.492 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.180 -4.218 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.492 -3.260 -0.330 1.00 0.00 H new ATOM 466 N CYS A 35 4.428 -5.884 -4.326 1.00 0.00 N ATOM 467 CA CYS A 35 4.234 -6.654 -5.549 1.00 0.00 C ATOM 468 C CYS A 35 2.899 -6.310 -6.203 1.00 0.00 C ATOM 469 O CYS A 35 1.910 -6.050 -5.518 1.00 0.00 O ATOM 470 CB CYS A 35 4.296 -8.153 -5.249 1.00 0.00 C ATOM 471 SG CYS A 35 5.737 -8.653 -4.252 1.00 0.00 S ATOM 0 H CYS A 35 4.196 -6.388 -3.470 1.00 0.00 H new ATOM 0 HA CYS A 35 5.035 -6.396 -6.241 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.386 -8.446 -4.725 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.312 -8.701 -6.191 1.00 0.00 H new ATOM 476 N ARG A 36 2.880 -6.310 -7.532 1.00 0.00 N ATOM 477 CA ARG A 36 1.667 -5.997 -8.278 1.00 0.00 C ATOM 478 C ARG A 36 0.521 -6.915 -7.863 1.00 0.00 C ATOM 479 O ARG A 36 -0.650 -6.554 -7.980 1.00 0.00 O ATOM 480 CB ARG A 36 1.920 -6.127 -9.781 1.00 0.00 C ATOM 481 CG ARG A 36 0.794 -5.572 -10.639 1.00 0.00 C ATOM 482 CD ARG A 36 1.290 -5.175 -12.020 1.00 0.00 C ATOM 483 NE ARG A 36 1.343 -6.315 -12.931 1.00 0.00 N ATOM 484 CZ ARG A 36 0.264 -6.911 -13.426 1.00 0.00 C ATOM 485 NH1 ARG A 36 -0.945 -6.477 -13.099 1.00 0.00 N ATOM 486 NH2 ARG A 36 0.394 -7.944 -14.249 1.00 0.00 N ATOM 0 H ARG A 36 3.690 -6.523 -8.114 1.00 0.00 H new ATOM 0 HA ARG A 36 1.386 -4.969 -8.051 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.845 -5.608 -10.031 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.068 -7.179 -10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.006 -6.319 -10.735 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.353 -4.705 -10.147 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.634 -4.410 -12.435 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.282 -4.732 -11.935 1.00 0.00 H new ATOM 0 HE ARG A 36 2.259 -6.673 -13.202 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.048 -5.684 -12.466 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.772 -6.936 -13.480 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.323 -8.281 -14.502 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.435 -8.401 -14.629 1.00 0.00 H new ATOM 500 N ALA A 37 0.867 -8.103 -7.379 1.00 0.00 N ATOM 501 CA ALA A 37 -0.132 -9.072 -6.946 1.00 0.00 C ATOM 502 C ALA A 37 -0.547 -8.823 -5.499 1.00 0.00 C ATOM 503 O ALA A 37 -1.735 -8.741 -5.189 1.00 0.00 O ATOM 504 CB ALA A 37 0.400 -10.488 -7.108 1.00 0.00 C ATOM 0 H ALA A 37 1.832 -8.418 -7.277 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.014 -8.953 -7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.357 -11.201 -6.781 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.640 -10.669 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.299 -10.610 -6.504 1.00 0.00 H new ATOM 510 N CYS A 38 0.441 -8.706 -4.618 1.00 0.00 N ATOM 511 CA CYS A 38 0.179 -8.468 -3.203 1.00 0.00 C ATOM 512 C CYS A 38 -0.731 -7.258 -3.015 1.00 0.00 C ATOM 513 O CYS A 38 -1.488 -7.183 -2.046 1.00 0.00 O ATOM 514 CB CYS A 38 1.493 -8.253 -2.450 1.00 0.00 C ATOM 515 SG CYS A 38 2.556 -9.731 -2.372 1.00 0.00 S ATOM 0 H CYS A 38 1.430 -8.772 -4.859 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.325 -9.346 -2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.046 -7.446 -2.930 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.268 -7.926 -1.435 1.00 0.00 H new ATOM 520 N ILE A 39 -0.653 -6.314 -3.946 1.00 0.00 N ATOM 521 CA ILE A 39 -1.470 -5.109 -3.883 1.00 0.00 C ATOM 522 C ILE A 39 -2.878 -5.372 -4.406 1.00 0.00 C ATOM 523 O ILE A 39 -3.851 -4.787 -3.927 1.00 0.00 O ATOM 524 CB ILE A 39 -0.841 -3.959 -4.692 1.00 0.00 C ATOM 525 CG1 ILE A 39 0.562 -3.646 -4.169 1.00 0.00 C ATOM 526 CG2 ILE A 39 -1.725 -2.722 -4.628 1.00 0.00 C ATOM 527 CD1 ILE A 39 1.410 -2.862 -5.145 1.00 0.00 C ATOM 0 H ILE A 39 -0.032 -6.360 -4.754 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.523 -4.818 -2.834 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.758 -4.269 -5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.477 -3.082 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.069 -4.581 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.268 -1.918 -5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.706 -2.954 -5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.836 -2.407 -3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.391 -2.676 -4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.526 -3.433 -6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.925 -1.911 -5.366 1.00 0.00 H new ATOM 539 N THR A 40 -2.982 -6.259 -5.391 1.00 0.00 N ATOM 540 CA THR A 40 -4.271 -6.601 -5.979 1.00 0.00 C ATOM 541 C THR A 40 -4.952 -7.719 -5.198 1.00 0.00 C ATOM 542 O THR A 40 -4.288 -8.567 -4.603 1.00 0.00 O ATOM 543 CB THR A 40 -4.121 -7.034 -7.449 1.00 0.00 C ATOM 544 OG1 THR A 40 -3.296 -6.100 -8.154 1.00 0.00 O ATOM 545 CG2 THR A 40 -5.480 -7.131 -8.127 1.00 0.00 C ATOM 0 H THR A 40 -2.188 -6.754 -5.798 1.00 0.00 H new ATOM 0 HA THR A 40 -4.887 -5.703 -5.934 1.00 0.00 H new ATOM 0 HB THR A 40 -3.652 -8.018 -7.468 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.353 -6.292 -7.970 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.348 -7.438 -9.164 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.095 -7.865 -7.606 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.972 -6.159 -8.097 1.00 0.00 H new ATOM 553 N VAL A 41 -6.281 -7.715 -5.205 1.00 0.00 N ATOM 554 CA VAL A 41 -7.052 -8.731 -4.499 1.00 0.00 C ATOM 555 C VAL A 41 -7.358 -9.918 -5.405 1.00 0.00 C ATOM 556 O VAL A 41 -7.576 -9.756 -6.606 1.00 0.00 O ATOM 557 CB VAL A 41 -8.376 -8.157 -3.960 1.00 0.00 C ATOM 558 CG1 VAL A 41 -9.304 -7.788 -5.107 1.00 0.00 C ATOM 559 CG2 VAL A 41 -9.044 -9.150 -3.021 1.00 0.00 C ATOM 0 H VAL A 41 -6.846 -7.019 -5.692 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.441 -9.066 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.156 -7.250 -3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.234 -7.384 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.824 -7.039 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.520 -8.676 -5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.978 -8.728 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.252 -10.075 -3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.381 -9.359 -2.181 1.00 0.00 H new ATOM 569 N SER A 42 -7.371 -11.113 -4.822 1.00 0.00 N ATOM 570 CA SER A 42 -7.647 -12.329 -5.578 1.00 0.00 C ATOM 571 C SER A 42 -9.146 -12.502 -5.802 1.00 0.00 C ATOM 572 O SER A 42 -9.900 -12.753 -4.863 1.00 0.00 O ATOM 573 CB SER A 42 -7.085 -13.549 -4.845 1.00 0.00 C ATOM 574 OG SER A 42 -6.774 -14.591 -5.753 1.00 0.00 O ATOM 0 H SER A 42 -7.194 -11.265 -3.829 1.00 0.00 H new ATOM 0 HA SER A 42 -7.160 -12.241 -6.549 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.189 -13.265 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.811 -13.904 -4.114 1.00 0.00 H new ATOM 0 HG SER A 42 -6.415 -15.358 -5.260 1.00 0.00 H new ATOM 580 N ASN A 43 -9.571 -12.365 -7.054 1.00 0.00 N ATOM 581 CA ASN A 43 -10.980 -12.505 -7.402 1.00 0.00 C ATOM 582 C ASN A 43 -11.409 -13.969 -7.358 1.00 0.00 C ATOM 583 O ASN A 43 -11.106 -14.744 -8.265 1.00 0.00 O ATOM 584 CB ASN A 43 -11.242 -11.928 -8.795 1.00 0.00 C ATOM 585 CG ASN A 43 -11.414 -10.421 -8.773 1.00 0.00 C ATOM 586 OD1 ASN A 43 -10.529 -9.678 -9.199 1.00 0.00 O ATOM 587 ND2 ASN A 43 -12.556 -9.963 -8.274 1.00 0.00 N ATOM 0 H ASN A 43 -8.960 -12.157 -7.844 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.566 -11.951 -6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.414 -12.187 -9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.138 -12.387 -9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.728 -8.958 -8.232 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.261 -10.616 -7.932 1.00 0.00 H new ATOM 594 N LYS A 44 -12.116 -14.340 -6.296 1.00 0.00 N ATOM 595 CA LYS A 44 -12.589 -15.710 -6.132 1.00 0.00 C ATOM 596 C LYS A 44 -14.063 -15.825 -6.508 1.00 0.00 C ATOM 597 O LYS A 44 -14.721 -14.824 -6.786 1.00 0.00 O ATOM 598 CB LYS A 44 -12.382 -16.173 -4.688 1.00 0.00 C ATOM 599 CG LYS A 44 -10.968 -16.644 -4.397 1.00 0.00 C ATOM 600 CD LYS A 44 -10.929 -17.594 -3.212 1.00 0.00 C ATOM 601 CE LYS A 44 -11.348 -19.001 -3.610 1.00 0.00 C ATOM 602 NZ LYS A 44 -10.890 -20.017 -2.623 1.00 0.00 N ATOM 0 H LYS A 44 -12.374 -13.711 -5.536 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.011 -16.350 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.629 -15.353 -4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.078 -16.984 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.561 -17.142 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.331 -15.783 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.922 -17.617 -2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.589 -17.225 -2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.433 -19.045 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.938 -19.238 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.196 -20.962 -2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.852 -19.993 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.302 -19.806 -1.691 1.00 0.00 H new ATOM 616 N GLU A 45 -14.573 -17.053 -6.512 1.00 0.00 N ATOM 617 CA GLU A 45 -15.970 -17.297 -6.853 1.00 0.00 C ATOM 618 C GLU A 45 -16.788 -17.614 -5.604 1.00 0.00 C ATOM 619 O GLU A 45 -17.968 -17.277 -5.520 1.00 0.00 O ATOM 620 CB GLU A 45 -16.080 -18.449 -7.854 1.00 0.00 C ATOM 621 CG GLU A 45 -15.285 -19.681 -7.454 1.00 0.00 C ATOM 622 CD GLU A 45 -15.501 -20.846 -8.399 1.00 0.00 C ATOM 623 OE1 GLU A 45 -16.139 -20.646 -9.454 1.00 0.00 O ATOM 624 OE2 GLU A 45 -15.030 -21.960 -8.084 1.00 0.00 O ATOM 0 H GLU A 45 -14.041 -17.893 -6.283 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.370 -16.391 -7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.129 -18.724 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.736 -18.106 -8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.224 -19.432 -7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.568 -19.979 -6.445 1.00 0.00 H new ATOM 631 N ALA A 46 -16.150 -18.265 -4.637 1.00 0.00 N ATOM 632 CA ALA A 46 -16.817 -18.627 -3.392 1.00 0.00 C ATOM 633 C ALA A 46 -16.569 -17.579 -2.312 1.00 0.00 C ATOM 634 O ALA A 46 -16.424 -17.909 -1.135 1.00 0.00 O ATOM 635 CB ALA A 46 -16.348 -19.995 -2.920 1.00 0.00 C ATOM 0 H ALA A 46 -15.173 -18.552 -4.692 1.00 0.00 H new ATOM 0 HA ALA A 46 -17.889 -18.669 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -16.854 -20.252 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.582 -20.742 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.271 -19.973 -2.753 1.00 0.00 H new ATOM 641 N VAL A 47 -16.521 -16.315 -2.720 1.00 0.00 N ATOM 642 CA VAL A 47 -16.291 -15.219 -1.787 1.00 0.00 C ATOM 643 C VAL A 47 -17.391 -14.168 -1.891 1.00 0.00 C ATOM 644 O VAL A 47 -17.730 -13.715 -2.985 1.00 0.00 O ATOM 645 CB VAL A 47 -14.928 -14.546 -2.036 1.00 0.00 C ATOM 646 CG1 VAL A 47 -14.832 -14.050 -3.471 1.00 0.00 C ATOM 647 CG2 VAL A 47 -14.710 -13.406 -1.053 1.00 0.00 C ATOM 0 H VAL A 47 -16.638 -16.025 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 47 -16.298 -15.650 -0.786 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.143 -15.285 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.862 -13.577 -3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -14.941 -14.892 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.624 -13.325 -3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.742 -12.942 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -15.499 -12.664 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.732 -13.794 -0.035 1.00 0.00 H new ATOM 657 N THR A 48 -17.946 -13.784 -0.746 1.00 0.00 N ATOM 658 CA THR A 48 -19.008 -12.787 -0.708 1.00 0.00 C ATOM 659 C THR A 48 -18.582 -11.560 0.091 1.00 0.00 C ATOM 660 O THR A 48 -19.100 -11.306 1.178 1.00 0.00 O ATOM 661 CB THR A 48 -20.298 -13.363 -0.094 1.00 0.00 C ATOM 662 OG1 THR A 48 -20.481 -14.717 -0.522 1.00 0.00 O ATOM 663 CG2 THR A 48 -21.506 -12.531 -0.495 1.00 0.00 C ATOM 0 H THR A 48 -17.677 -14.149 0.168 1.00 0.00 H new ATOM 0 HA THR A 48 -19.204 -12.495 -1.740 1.00 0.00 H new ATOM 0 HB THR A 48 -20.202 -13.335 0.991 1.00 0.00 H new ATOM 0 HG1 THR A 48 -21.302 -15.077 -0.126 1.00 0.00 H new ATOM 0 HG21 THR A 48 -22.405 -12.957 -0.050 1.00 0.00 H new ATOM 0 HG22 THR A 48 -21.376 -11.508 -0.143 1.00 0.00 H new ATOM 0 HG23 THR A 48 -21.604 -12.531 -1.581 1.00 0.00 H new ATOM 671 N SER A 49 -17.636 -10.803 -0.455 1.00 0.00 N ATOM 672 CA SER A 49 -17.139 -9.604 0.209 1.00 0.00 C ATOM 673 C SER A 49 -17.579 -8.347 -0.537 1.00 0.00 C ATOM 674 O SER A 49 -18.233 -8.427 -1.577 1.00 0.00 O ATOM 675 CB SER A 49 -15.613 -9.644 0.305 1.00 0.00 C ATOM 676 OG SER A 49 -15.176 -10.802 0.996 1.00 0.00 O ATOM 0 H SER A 49 -17.198 -10.999 -1.355 1.00 0.00 H new ATOM 0 HA SER A 49 -17.559 -9.575 1.214 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.182 -9.630 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.254 -8.753 0.819 1.00 0.00 H new ATOM 0 HG SER A 49 -14.197 -10.805 1.043 1.00 0.00 H new ATOM 682 N MET A 50 -17.216 -7.189 0.003 1.00 0.00 N ATOM 683 CA MET A 50 -17.572 -5.915 -0.612 1.00 0.00 C ATOM 684 C MET A 50 -16.367 -5.293 -1.311 1.00 0.00 C ATOM 685 O MET A 50 -16.516 -4.514 -2.251 1.00 0.00 O ATOM 686 CB MET A 50 -18.118 -4.951 0.443 1.00 0.00 C ATOM 687 CG MET A 50 -19.553 -5.246 0.851 1.00 0.00 C ATOM 688 SD MET A 50 -20.410 -3.789 1.479 1.00 0.00 S ATOM 689 CE MET A 50 -21.430 -3.363 0.069 1.00 0.00 C ATOM 0 H MET A 50 -16.676 -7.106 0.864 1.00 0.00 H new ATOM 0 HA MET A 50 -18.345 -6.103 -1.357 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.481 -4.994 1.327 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.060 -3.933 0.058 1.00 0.00 H new ATOM 0 HG2 MET A 50 -20.097 -5.641 -0.007 1.00 0.00 H new ATOM 0 HG3 MET A 50 -19.557 -6.023 1.616 1.00 0.00 H new ATOM 0 HE1 MET A 50 -22.022 -2.478 0.302 1.00 0.00 H new ATOM 0 HE2 MET A 50 -20.794 -3.157 -0.792 1.00 0.00 H new ATOM 0 HE3 MET A 50 -22.096 -4.194 -0.163 1.00 0.00 H new ATOM 699 N GLY A 51 -15.172 -5.642 -0.844 1.00 0.00 N ATOM 700 CA GLY A 51 -13.959 -5.108 -1.436 1.00 0.00 C ATOM 701 C GLY A 51 -13.703 -3.669 -1.035 1.00 0.00 C ATOM 702 O GLY A 51 -13.996 -3.269 0.091 1.00 0.00 O ATOM 0 H GLY A 51 -15.022 -6.285 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.110 -5.722 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.030 -5.172 -2.522 1.00 0.00 H new ATOM 706 N GLY A 52 -13.153 -2.887 -1.959 1.00 0.00 N ATOM 707 CA GLY A 52 -12.866 -1.493 -1.676 1.00 0.00 C ATOM 708 C GLY A 52 -11.628 -0.999 -2.399 1.00 0.00 C ATOM 709 O GLY A 52 -11.625 -0.865 -3.622 1.00 0.00 O ATOM 0 H GLY A 52 -12.901 -3.194 -2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.721 -0.883 -1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.732 -1.363 -0.602 1.00 0.00 H new ATOM 713 N LYS A 53 -10.572 -0.724 -1.640 1.00 0.00 N ATOM 714 CA LYS A 53 -9.322 -0.241 -2.214 1.00 0.00 C ATOM 715 C LYS A 53 -8.122 -0.829 -1.478 1.00 0.00 C ATOM 716 O LYS A 53 -8.072 -0.822 -0.248 1.00 0.00 O ATOM 717 CB LYS A 53 -9.269 1.287 -2.158 1.00 0.00 C ATOM 718 CG LYS A 53 -9.571 1.857 -0.782 1.00 0.00 C ATOM 719 CD LYS A 53 -11.040 2.218 -0.639 1.00 0.00 C ATOM 720 CE LYS A 53 -11.516 2.059 0.796 1.00 0.00 C ATOM 721 NZ LYS A 53 -11.052 3.178 1.662 1.00 0.00 N ATOM 0 H LYS A 53 -10.557 -0.828 -0.625 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.281 -0.563 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.279 1.619 -2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.983 1.693 -2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.298 1.129 -0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.959 2.743 -0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.196 3.247 -0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.637 1.583 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.605 2.013 0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.150 1.114 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.397 3.032 2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.012 3.206 1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.422 4.078 1.294 1.00 0.00 H new ATOM 735 N SER A 54 -7.158 -1.337 -2.239 1.00 0.00 N ATOM 736 CA SER A 54 -5.959 -1.931 -1.658 1.00 0.00 C ATOM 737 C SER A 54 -5.308 -0.977 -0.662 1.00 0.00 C ATOM 738 O SER A 54 -4.785 0.071 -1.041 1.00 0.00 O ATOM 739 CB SER A 54 -4.962 -2.297 -2.759 1.00 0.00 C ATOM 740 OG SER A 54 -5.622 -2.858 -3.880 1.00 0.00 O ATOM 0 H SER A 54 -7.183 -1.349 -3.259 1.00 0.00 H new ATOM 0 HA SER A 54 -6.252 -2.837 -1.127 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.411 -1.408 -3.065 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.231 -3.007 -2.371 1.00 0.00 H new ATOM 0 HG SER A 54 -5.323 -3.783 -4.006 1.00 0.00 H new ATOM 746 N SER A 55 -5.343 -1.349 0.614 1.00 0.00 N ATOM 747 CA SER A 55 -4.759 -0.525 1.666 1.00 0.00 C ATOM 748 C SER A 55 -3.267 -0.805 1.810 1.00 0.00 C ATOM 749 O SER A 55 -2.690 -1.576 1.042 1.00 0.00 O ATOM 750 CB SER A 55 -5.469 -0.783 2.997 1.00 0.00 C ATOM 751 OG SER A 55 -5.686 -2.168 3.199 1.00 0.00 O ATOM 0 H SER A 55 -5.769 -2.215 0.944 1.00 0.00 H new ATOM 0 HA SER A 55 -4.889 0.521 1.389 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.871 -0.382 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.423 -0.256 3.012 1.00 0.00 H new ATOM 0 HG SER A 55 -6.139 -2.306 4.057 1.00 0.00 H new ATOM 757 N CYS A 56 -2.646 -0.174 2.801 1.00 0.00 N ATOM 758 CA CYS A 56 -1.220 -0.353 3.048 1.00 0.00 C ATOM 759 C CYS A 56 -0.987 -1.225 4.278 1.00 0.00 C ATOM 760 O CYS A 56 -1.007 -0.755 5.416 1.00 0.00 O ATOM 761 CB CYS A 56 -0.539 1.005 3.235 1.00 0.00 C ATOM 762 SG CYS A 56 1.245 0.998 2.867 1.00 0.00 S ATOM 0 H CYS A 56 -3.108 0.466 3.447 1.00 0.00 H new ATOM 0 HA CYS A 56 -0.786 -0.853 2.182 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.029 1.737 2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.686 1.335 4.264 1.00 0.00 H new ATOM 767 N PRO A 57 -0.759 -2.526 4.047 1.00 0.00 N ATOM 768 CA PRO A 57 -0.516 -3.491 5.123 1.00 0.00 C ATOM 769 C PRO A 57 0.832 -3.275 5.802 1.00 0.00 C ATOM 770 O PRO A 57 1.139 -3.910 6.811 1.00 0.00 O ATOM 771 CB PRO A 57 -0.541 -4.841 4.401 1.00 0.00 C ATOM 772 CG PRO A 57 -0.167 -4.526 2.994 1.00 0.00 C ATOM 773 CD PRO A 57 -0.720 -3.155 2.716 1.00 0.00 C ATOM 0 HA PRO A 57 -1.253 -3.405 5.921 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.162 -5.543 4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.528 -5.300 4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.915 -4.544 2.864 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.583 -5.262 2.306 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.085 -2.598 2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.712 -3.205 2.266 1.00 0.00 H new ATOM 781 N VAL A 58 1.635 -2.376 5.241 1.00 0.00 N ATOM 782 CA VAL A 58 2.950 -2.075 5.794 1.00 0.00 C ATOM 783 C VAL A 58 2.845 -1.112 6.970 1.00 0.00 C ATOM 784 O VAL A 58 3.467 -1.318 8.013 1.00 0.00 O ATOM 785 CB VAL A 58 3.881 -1.467 4.728 1.00 0.00 C ATOM 786 CG1 VAL A 58 5.300 -1.348 5.263 1.00 0.00 C ATOM 787 CG2 VAL A 58 3.850 -2.301 3.456 1.00 0.00 C ATOM 0 H VAL A 58 1.398 -1.844 4.404 1.00 0.00 H new ATOM 0 HA VAL A 58 3.372 -3.019 6.139 1.00 0.00 H new ATOM 0 HB VAL A 58 3.524 -0.466 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.943 -0.917 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.304 -0.706 6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.671 -2.337 5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.513 -1.857 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.181 -3.316 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.833 -2.329 3.064 1.00 0.00 H new ATOM 797 N CYS A 59 2.054 -0.059 6.797 1.00 0.00 N ATOM 798 CA CYS A 59 1.866 0.938 7.844 1.00 0.00 C ATOM 799 C CYS A 59 0.386 1.269 8.020 1.00 0.00 C ATOM 800 O CYS A 59 -0.104 1.393 9.142 1.00 0.00 O ATOM 801 CB CYS A 59 2.648 2.210 7.512 1.00 0.00 C ATOM 802 SG CYS A 59 2.395 2.818 5.813 1.00 0.00 S ATOM 0 H CYS A 59 1.532 0.126 5.940 1.00 0.00 H new ATOM 0 HA CYS A 59 2.241 0.522 8.779 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.361 2.994 8.213 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.711 2.020 7.664 1.00 0.00 H new ATOM 807 N GLY A 60 -0.320 1.412 6.903 1.00 0.00 N ATOM 808 CA GLY A 60 -1.736 1.728 6.955 1.00 0.00 C ATOM 809 C GLY A 60 -2.027 3.156 6.541 1.00 0.00 C ATOM 810 O GLY A 60 -2.131 4.045 7.386 1.00 0.00 O ATOM 0 H GLY A 60 0.063 1.315 5.963 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.281 1.046 6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.105 1.564 7.968 1.00 0.00 H new ATOM 814 N ILE A 61 -2.157 3.378 5.237 1.00 0.00 N ATOM 815 CA ILE A 61 -2.437 4.709 4.713 1.00 0.00 C ATOM 816 C ILE A 61 -3.251 4.633 3.426 1.00 0.00 C ATOM 817 O ILE A 61 -2.719 4.324 2.360 1.00 0.00 O ATOM 818 CB ILE A 61 -1.139 5.491 4.441 1.00 0.00 C ATOM 819 CG1 ILE A 61 -0.305 5.598 5.719 1.00 0.00 C ATOM 820 CG2 ILE A 61 -1.459 6.874 3.894 1.00 0.00 C ATOM 821 CD1 ILE A 61 0.988 6.362 5.534 1.00 0.00 C ATOM 0 H ILE A 61 -2.073 2.653 4.524 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.014 5.233 5.475 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.557 4.952 3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.899 6.087 6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.077 4.595 6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.531 7.415 3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.017 6.777 2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.059 7.423 4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.528 6.398 6.480 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.602 5.862 4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.767 7.377 5.203 1.00 0.00 H new ATOM 833 N SER A 62 -4.545 4.918 3.533 1.00 0.00 N ATOM 834 CA SER A 62 -5.434 4.880 2.377 1.00 0.00 C ATOM 835 C SER A 62 -4.868 5.711 1.229 1.00 0.00 C ATOM 836 O SER A 62 -4.803 6.938 1.309 1.00 0.00 O ATOM 837 CB SER A 62 -6.823 5.396 2.759 1.00 0.00 C ATOM 838 OG SER A 62 -7.096 5.160 4.129 1.00 0.00 O ATOM 0 H SER A 62 -5.001 5.178 4.408 1.00 0.00 H new ATOM 0 HA SER A 62 -5.517 3.845 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.887 6.464 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.578 4.905 2.145 1.00 0.00 H new ATOM 0 HG SER A 62 -6.808 5.933 4.658 1.00 0.00 H new ATOM 844 N TYR A 63 -4.460 5.033 0.162 1.00 0.00 N ATOM 845 CA TYR A 63 -3.898 5.707 -1.002 1.00 0.00 C ATOM 846 C TYR A 63 -4.746 5.448 -2.244 1.00 0.00 C ATOM 847 O TYR A 63 -5.296 4.361 -2.418 1.00 0.00 O ATOM 848 CB TYR A 63 -2.462 5.238 -1.245 1.00 0.00 C ATOM 849 CG TYR A 63 -2.357 3.775 -1.612 1.00 0.00 C ATOM 850 CD1 TYR A 63 -2.326 2.792 -0.630 1.00 0.00 C ATOM 851 CD2 TYR A 63 -2.289 3.375 -2.941 1.00 0.00 C ATOM 852 CE1 TYR A 63 -2.230 1.454 -0.961 1.00 0.00 C ATOM 853 CE2 TYR A 63 -2.194 2.040 -3.281 1.00 0.00 C ATOM 854 CZ TYR A 63 -2.164 1.083 -2.288 1.00 0.00 C ATOM 855 OH TYR A 63 -2.069 -0.248 -2.622 1.00 0.00 O ATOM 0 H TYR A 63 -4.508 4.017 0.079 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.895 6.779 -0.803 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.023 5.837 -2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.872 5.422 -0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.378 3.079 0.410 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.311 4.121 -3.722 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.207 0.703 -0.185 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.143 1.747 -4.319 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.519 -0.789 -1.940 1.00 0.00 H new ATOM 865 N SER A 64 -4.846 6.456 -3.104 1.00 0.00 N ATOM 866 CA SER A 64 -5.629 6.341 -4.329 1.00 0.00 C ATOM 867 C SER A 64 -4.757 5.873 -5.489 1.00 0.00 C ATOM 868 O SER A 64 -3.702 6.447 -5.760 1.00 0.00 O ATOM 869 CB SER A 64 -6.278 7.683 -4.673 1.00 0.00 C ATOM 870 OG SER A 64 -7.232 7.537 -5.711 1.00 0.00 O ATOM 0 H SER A 64 -4.395 7.362 -2.975 1.00 0.00 H new ATOM 0 HA SER A 64 -6.411 5.600 -4.163 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.760 8.095 -3.787 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.510 8.394 -4.978 1.00 0.00 H new ATOM 0 HG SER A 64 -7.634 8.408 -5.911 1.00 0.00 H new ATOM 876 N PHE A 65 -5.205 4.824 -6.173 1.00 0.00 N ATOM 877 CA PHE A 65 -4.465 4.277 -7.304 1.00 0.00 C ATOM 878 C PHE A 65 -4.854 4.982 -8.600 1.00 0.00 C ATOM 879 O PHE A 65 -4.007 5.243 -9.454 1.00 0.00 O ATOM 880 CB PHE A 65 -4.724 2.774 -7.431 1.00 0.00 C ATOM 881 CG PHE A 65 -3.677 2.050 -8.228 1.00 0.00 C ATOM 882 CD1 PHE A 65 -3.656 2.139 -9.610 1.00 0.00 C ATOM 883 CD2 PHE A 65 -2.714 1.281 -7.595 1.00 0.00 C ATOM 884 CE1 PHE A 65 -2.693 1.475 -10.347 1.00 0.00 C ATOM 885 CE2 PHE A 65 -1.749 0.615 -8.327 1.00 0.00 C ATOM 886 CZ PHE A 65 -1.739 0.711 -9.704 1.00 0.00 C ATOM 0 H PHE A 65 -6.076 4.337 -5.963 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.403 4.442 -7.125 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.777 2.337 -6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.696 2.619 -7.898 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.401 2.734 -10.118 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.717 1.201 -6.518 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.687 1.554 -11.424 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.003 0.020 -7.822 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.987 0.190 -10.277 1.00 0.00 H new ATOM 896 N GLU A 66 -6.140 5.286 -8.739 1.00 0.00 N ATOM 897 CA GLU A 66 -6.641 5.960 -9.931 1.00 0.00 C ATOM 898 C GLU A 66 -6.027 7.350 -10.070 1.00 0.00 C ATOM 899 O GLU A 66 -5.814 7.839 -11.180 1.00 0.00 O ATOM 900 CB GLU A 66 -8.167 6.068 -9.880 1.00 0.00 C ATOM 901 CG GLU A 66 -8.881 4.778 -10.249 1.00 0.00 C ATOM 902 CD GLU A 66 -8.995 3.819 -9.080 1.00 0.00 C ATOM 903 OE1 GLU A 66 -9.259 4.286 -7.952 1.00 0.00 O ATOM 904 OE2 GLU A 66 -8.820 2.601 -9.293 1.00 0.00 O ATOM 0 H GLU A 66 -6.854 5.076 -8.041 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.354 5.367 -10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.468 6.366 -8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.490 6.859 -10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.879 5.013 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.345 4.290 -11.063 1.00 0.00 H new ATOM 911 N HIS A 67 -5.744 7.981 -8.935 1.00 0.00 N ATOM 912 CA HIS A 67 -5.154 9.315 -8.928 1.00 0.00 C ATOM 913 C HIS A 67 -3.906 9.353 -8.052 1.00 0.00 C ATOM 914 O HIS A 67 -3.897 9.984 -6.994 1.00 0.00 O ATOM 915 CB HIS A 67 -6.171 10.344 -8.433 1.00 0.00 C ATOM 916 CG HIS A 67 -7.430 10.380 -9.243 1.00 0.00 C ATOM 917 ND1 HIS A 67 -8.382 9.383 -9.199 1.00 0.00 N ATOM 918 CD2 HIS A 67 -7.892 11.301 -10.121 1.00 0.00 C ATOM 919 CE1 HIS A 67 -9.375 9.688 -10.016 1.00 0.00 C ATOM 920 NE2 HIS A 67 -9.102 10.848 -10.587 1.00 0.00 N ATOM 0 H HIS A 67 -5.914 7.590 -8.008 1.00 0.00 H new ATOM 0 HA HIS A 67 -4.867 9.563 -9.950 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.423 10.124 -7.396 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.712 11.332 -8.447 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.401 12.221 -10.403 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.259 9.091 -10.188 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.694 11.329 -11.264 1.00 0.00 H new ATOM 928 N LEU A 68 -2.856 8.673 -8.497 1.00 0.00 N ATOM 929 CA LEU A 68 -1.602 8.628 -7.752 1.00 0.00 C ATOM 930 C LEU A 68 -0.804 9.913 -7.951 1.00 0.00 C ATOM 931 O LEU A 68 -0.407 10.563 -6.985 1.00 0.00 O ATOM 932 CB LEU A 68 -0.768 7.423 -8.191 1.00 0.00 C ATOM 933 CG LEU A 68 -1.141 6.082 -7.558 1.00 0.00 C ATOM 934 CD1 LEU A 68 -0.607 4.930 -8.395 1.00 0.00 C ATOM 935 CD2 LEU A 68 -0.611 6.000 -6.134 1.00 0.00 C ATOM 0 H LEU A 68 -2.847 8.145 -9.370 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.840 8.531 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.848 7.326 -9.274 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.278 7.629 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.228 6.006 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.882 3.984 -7.929 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.034 4.979 -9.396 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.479 5.000 -8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.885 5.039 -5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.475 6.097 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.042 6.805 -5.538 1.00 0.00 H new ATOM 947 N GLN A 69 -0.575 10.272 -9.210 1.00 0.00 N ATOM 948 CA GLN A 69 0.174 11.480 -9.535 1.00 0.00 C ATOM 949 C GLN A 69 0.023 11.834 -11.011 1.00 0.00 C ATOM 950 O GLN A 69 0.228 10.992 -11.885 1.00 0.00 O ATOM 951 CB GLN A 69 1.653 11.297 -9.191 1.00 0.00 C ATOM 952 CG GLN A 69 2.314 10.151 -9.940 1.00 0.00 C ATOM 953 CD GLN A 69 3.548 9.626 -9.232 1.00 0.00 C ATOM 954 OE1 GLN A 69 4.059 10.253 -8.304 1.00 0.00 O ATOM 955 NE2 GLN A 69 4.034 8.470 -9.668 1.00 0.00 N ATOM 0 H GLN A 69 -0.897 9.744 -10.021 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.231 12.299 -8.941 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.186 12.221 -9.414 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.750 11.123 -8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.597 9.339 -10.061 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.589 10.486 -10.940 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.578 7.984 -10.440 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.863 8.068 -9.231 1.00 0.00 H new ATOM 964 N ALA A 70 -0.336 13.084 -11.281 1.00 0.00 N ATOM 965 CA ALA A 70 -0.513 13.549 -12.651 1.00 0.00 C ATOM 966 C ALA A 70 0.694 14.357 -13.117 1.00 0.00 C ATOM 967 O ALA A 70 0.577 15.222 -13.984 1.00 0.00 O ATOM 968 CB ALA A 70 -1.782 14.380 -12.767 1.00 0.00 C ATOM 0 H ALA A 70 -0.510 13.793 -10.569 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.604 12.675 -13.296 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.901 14.720 -13.796 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.642 13.773 -12.484 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.714 15.243 -12.105 1.00 0.00 H new ATOM 974 N ASN A 71 1.853 14.068 -12.534 1.00 0.00 N ATOM 975 CA ASN A 71 3.082 14.769 -12.889 1.00 0.00 C ATOM 976 C ASN A 71 3.915 13.946 -13.868 1.00 0.00 C ATOM 977 O ASN A 71 4.205 14.392 -14.978 1.00 0.00 O ATOM 978 CB ASN A 71 3.902 15.071 -11.633 1.00 0.00 C ATOM 979 CG ASN A 71 3.249 16.120 -10.755 1.00 0.00 C ATOM 980 OD1 ASN A 71 2.353 16.843 -11.193 1.00 0.00 O ATOM 981 ND2 ASN A 71 3.695 16.208 -9.507 1.00 0.00 N ATOM 0 H ASN A 71 1.967 13.354 -11.814 1.00 0.00 H new ATOM 0 HA ASN A 71 2.809 15.708 -13.372 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.035 14.153 -11.060 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.895 15.412 -11.924 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.293 16.895 -8.869 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.439 15.589 -9.187 1.00 0.00 H new ATOM 988 N GLN A 72 4.294 12.743 -13.448 1.00 0.00 N ATOM 989 CA GLN A 72 5.093 11.858 -14.288 1.00 0.00 C ATOM 990 C GLN A 72 4.264 10.673 -14.773 1.00 0.00 C ATOM 991 O GLN A 72 4.460 9.542 -14.328 1.00 0.00 O ATOM 992 CB GLN A 72 6.317 11.359 -13.519 1.00 0.00 C ATOM 993 CG GLN A 72 5.986 10.801 -12.144 1.00 0.00 C ATOM 994 CD GLN A 72 6.983 9.755 -11.683 1.00 0.00 C ATOM 995 OE1 GLN A 72 7.413 8.905 -12.463 1.00 0.00 O ATOM 996 NE2 GLN A 72 7.356 9.813 -10.410 1.00 0.00 N ATOM 0 H GLN A 72 4.061 12.359 -12.532 1.00 0.00 H new ATOM 0 HA GLN A 72 5.425 12.425 -15.157 1.00 0.00 H new ATOM 0 HB2 GLN A 72 6.814 10.586 -14.105 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.025 12.180 -13.408 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.961 11.617 -11.421 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.988 10.362 -12.165 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.974 10.535 -9.799 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.025 9.136 -10.043 1.00 0.00 H new ATOM 1005 N HIS A 73 3.337 10.941 -15.687 1.00 0.00 N ATOM 1006 CA HIS A 73 2.478 9.896 -16.232 1.00 0.00 C ATOM 1007 C HIS A 73 3.302 8.846 -16.972 1.00 0.00 C ATOM 1008 O HIS A 73 3.242 7.658 -16.654 1.00 0.00 O ATOM 1009 CB HIS A 73 1.438 10.502 -17.175 1.00 0.00 C ATOM 1010 CG HIS A 73 0.406 9.520 -17.639 1.00 0.00 C ATOM 1011 ND1 HIS A 73 -0.521 8.947 -16.795 1.00 0.00 N ATOM 1012 CD2 HIS A 73 0.157 9.012 -18.869 1.00 0.00 C ATOM 1013 CE1 HIS A 73 -1.294 8.128 -17.485 1.00 0.00 C ATOM 1014 NE2 HIS A 73 -0.904 8.150 -18.746 1.00 0.00 N ATOM 0 H HIS A 73 3.162 11.872 -16.065 1.00 0.00 H new ATOM 0 HA HIS A 73 1.966 9.411 -15.401 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.939 11.329 -16.670 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.947 10.920 -18.044 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.693 9.242 -19.778 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.107 7.540 -17.085 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.323 7.614 -19.506 1.00 0.00 H new ATOM 1022 N LEU A 74 4.070 9.292 -17.960 1.00 0.00 N ATOM 1023 CA LEU A 74 4.906 8.392 -18.746 1.00 0.00 C ATOM 1024 C LEU A 74 6.154 9.108 -19.250 1.00 0.00 C ATOM 1025 O LEU A 74 6.075 9.979 -20.115 1.00 0.00 O ATOM 1026 CB LEU A 74 4.114 7.830 -19.928 1.00 0.00 C ATOM 1027 CG LEU A 74 2.993 6.850 -19.581 1.00 0.00 C ATOM 1028 CD1 LEU A 74 2.276 6.391 -20.841 1.00 0.00 C ATOM 1029 CD2 LEU A 74 3.547 5.657 -18.816 1.00 0.00 C ATOM 0 H LEU A 74 4.131 10.272 -18.236 1.00 0.00 H new ATOM 0 HA LEU A 74 5.217 7.570 -18.101 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.681 8.665 -20.479 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.811 7.330 -20.601 1.00 0.00 H new ATOM 0 HG LEU A 74 2.272 7.363 -18.944 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.482 5.694 -20.574 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.846 7.254 -21.350 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.986 5.896 -21.504 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.736 4.969 -18.577 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.288 5.144 -19.429 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.014 6.001 -17.893 1.00 0.00 H new ATOM 1041 N ALA A 75 7.306 8.733 -18.703 1.00 0.00 N ATOM 1042 CA ALA A 75 8.572 9.337 -19.100 1.00 0.00 C ATOM 1043 C ALA A 75 9.754 8.507 -18.611 1.00 0.00 C ATOM 1044 O ALA A 75 9.678 7.857 -17.570 1.00 0.00 O ATOM 1045 CB ALA A 75 8.668 10.760 -18.569 1.00 0.00 C ATOM 0 H ALA A 75 7.388 8.014 -17.984 1.00 0.00 H new ATOM 0 HA ALA A 75 8.607 9.364 -20.189 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.618 11.198 -18.873 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.848 11.355 -18.972 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.606 10.747 -17.481 1.00 0.00 H new ATOM 1051 N ASN A 76 10.845 8.533 -19.370 1.00 0.00 N ATOM 1052 CA ASN A 76 12.042 7.781 -19.014 1.00 0.00 C ATOM 1053 C ASN A 76 13.220 8.719 -18.768 1.00 0.00 C ATOM 1054 O ASN A 76 13.507 9.598 -19.581 1.00 0.00 O ATOM 1055 CB ASN A 76 12.392 6.784 -20.120 1.00 0.00 C ATOM 1056 CG ASN A 76 12.752 7.470 -21.424 1.00 0.00 C ATOM 1057 OD1 ASN A 76 11.882 7.980 -22.131 1.00 0.00 O ATOM 1058 ND2 ASN A 76 14.039 7.486 -21.749 1.00 0.00 N ATOM 0 H ASN A 76 10.924 9.067 -20.235 1.00 0.00 H new ATOM 0 HA ASN A 76 11.837 7.234 -18.094 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.228 6.164 -19.796 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.546 6.117 -20.285 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.341 7.933 -22.615 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.726 7.051 -21.133 1.00 0.00 H new ATOM 1065 N ILE A 77 13.899 8.525 -17.642 1.00 0.00 N ATOM 1066 CA ILE A 77 15.047 9.352 -17.290 1.00 0.00 C ATOM 1067 C ILE A 77 16.237 8.493 -16.877 1.00 0.00 C ATOM 1068 O ILE A 77 16.079 7.485 -16.188 1.00 0.00 O ATOM 1069 CB ILE A 77 14.709 10.326 -16.147 1.00 0.00 C ATOM 1070 CG1 ILE A 77 13.459 11.138 -16.491 1.00 0.00 C ATOM 1071 CG2 ILE A 77 15.887 11.249 -15.872 1.00 0.00 C ATOM 1072 CD1 ILE A 77 12.965 12.001 -15.351 1.00 0.00 C ATOM 0 H ILE A 77 13.674 7.802 -16.958 1.00 0.00 H new ATOM 0 HA ILE A 77 15.308 9.926 -18.179 1.00 0.00 H new ATOM 0 HB ILE A 77 14.507 9.748 -15.245 1.00 0.00 H new ATOM 0 HG12 ILE A 77 13.674 11.773 -17.350 1.00 0.00 H new ATOM 0 HG13 ILE A 77 12.664 10.456 -16.790 1.00 0.00 H new ATOM 0 HG21 ILE A 77 15.633 11.932 -15.061 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.756 10.655 -15.587 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.118 11.822 -16.770 1.00 0.00 H new ATOM 0 HD11 ILE A 77 12.077 12.548 -15.667 1.00 0.00 H new ATOM 0 HD12 ILE A 77 12.718 11.370 -14.497 1.00 0.00 H new ATOM 0 HD13 ILE A 77 13.744 12.708 -15.066 1.00 0.00 H new ATOM 1084 N VAL A 78 17.429 8.900 -17.301 1.00 0.00 N ATOM 1085 CA VAL A 78 18.648 8.170 -16.973 1.00 0.00 C ATOM 1086 C VAL A 78 19.295 8.722 -15.707 1.00 0.00 C ATOM 1087 O VAL A 78 19.843 9.824 -15.709 1.00 0.00 O ATOM 1088 CB VAL A 78 19.667 8.231 -18.126 1.00 0.00 C ATOM 1089 CG1 VAL A 78 20.934 7.475 -17.759 1.00 0.00 C ATOM 1090 CG2 VAL A 78 19.057 7.678 -19.405 1.00 0.00 C ATOM 0 H VAL A 78 17.577 9.732 -17.873 1.00 0.00 H new ATOM 0 HA VAL A 78 18.360 7.132 -16.808 1.00 0.00 H new ATOM 0 HB VAL A 78 19.933 9.274 -18.299 1.00 0.00 H new ATOM 0 HG11 VAL A 78 21.642 7.529 -18.586 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.379 7.921 -16.870 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.690 6.432 -17.558 1.00 0.00 H new ATOM 0 HG21 VAL A 78 19.791 7.729 -20.210 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.761 6.641 -19.248 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.181 8.268 -19.675 1.00 0.00 H new ATOM 1100 N GLU A 79 19.228 7.948 -14.629 1.00 0.00 N ATOM 1101 CA GLU A 79 19.808 8.361 -13.356 1.00 0.00 C ATOM 1102 C GLU A 79 21.300 8.645 -13.505 1.00 0.00 C ATOM 1103 O GLU A 79 21.898 8.354 -14.540 1.00 0.00 O ATOM 1104 CB GLU A 79 19.587 7.280 -12.296 1.00 0.00 C ATOM 1105 CG GLU A 79 19.589 7.814 -10.873 1.00 0.00 C ATOM 1106 CD GLU A 79 18.386 8.688 -10.576 1.00 0.00 C ATOM 1107 OE1 GLU A 79 17.275 8.137 -10.432 1.00 0.00 O ATOM 1108 OE2 GLU A 79 18.556 9.922 -10.487 1.00 0.00 O ATOM 0 H GLU A 79 18.779 7.033 -14.611 1.00 0.00 H new ATOM 0 HA GLU A 79 19.311 9.278 -13.039 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.636 6.784 -12.488 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.366 6.524 -12.392 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.606 6.977 -10.175 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.500 8.388 -10.706 1.00 0.00 H new TER 1115 GLU A 79 HETATM 1116 ZN ZN A 200 4.812 -9.375 -2.276 1.00 0.00 ZN HETATM 1117 ZN ZN A 400 2.969 2.383 3.611 1.00 0.00 ZN