USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HD1:sc= -0.0609 X(o=0.62,f=0.66) USER MOD Set 1.2: A 57 SER OG : rot 62:sc= 0.684 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0592 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 150:sc=-0.00484 (180deg=-0.266) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.171 K(o=-0.17,f=-2.1!) USER MOD Single : A 31 GLN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.017) USER MOD Single : A 47 ASN : amide:sc= -0.275 K(o=-0.27,f=-1.6) USER MOD Single : A 50 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.017) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 58 SER OG : rot 48:sc= 0.926 USER MOD Single : A 59 ASN : amide:sc= -5.11! C(o=-5.1!,f=-16!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -2.95! C(o=-2.9!,f=-2.8!) USER MOD Single : A 78 THR OG1 : rot 81:sc= 0.348 USER MOD Single : A 82 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.9) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -43:sc= 0.237 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.024 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0754 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.269 24.193 72.648 1.00 0.00 N ATOM 2 CA GLY A 1 -8.478 23.046 71.784 1.00 0.00 C ATOM 3 C GLY A 1 -7.371 22.879 70.763 1.00 0.00 C ATOM 4 O GLY A 1 -6.620 23.817 70.493 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.940 23.870 73.580 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.554 24.820 72.226 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.163 24.713 72.758 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.545 22.144 72.393 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.431 23.154 71.267 1.00 0.00 H new ATOM 8 N SER A 2 -7.267 21.682 70.195 1.00 0.00 N ATOM 9 CA SER A 2 -6.239 21.394 69.202 1.00 0.00 C ATOM 10 C SER A 2 -6.627 20.187 68.353 1.00 0.00 C ATOM 11 O SER A 2 -6.451 19.041 68.765 1.00 0.00 O ATOM 12 CB SER A 2 -4.895 21.138 69.887 1.00 0.00 C ATOM 13 OG SER A 2 -5.076 20.768 71.243 1.00 0.00 O ATOM 0 H SER A 2 -7.882 20.896 70.405 1.00 0.00 H new ATOM 0 HA SER A 2 -6.147 22.262 68.549 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.359 20.349 69.360 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.278 22.035 69.831 1.00 0.00 H new ATOM 0 HG SER A 2 -4.203 20.608 71.658 1.00 0.00 H new ATOM 19 N SER A 3 -7.157 20.455 67.163 1.00 0.00 N ATOM 20 CA SER A 3 -7.574 19.392 66.256 1.00 0.00 C ATOM 21 C SER A 3 -6.862 19.514 64.912 1.00 0.00 C ATOM 22 O SER A 3 -6.614 20.616 64.426 1.00 0.00 O ATOM 23 CB SER A 3 -9.089 19.436 66.048 1.00 0.00 C ATOM 24 OG SER A 3 -9.422 20.149 64.870 1.00 0.00 O ATOM 0 H SER A 3 -7.307 21.398 66.805 1.00 0.00 H new ATOM 0 HA SER A 3 -7.303 18.437 66.706 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.480 18.421 65.985 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.564 19.907 66.909 1.00 0.00 H new ATOM 0 HG SER A 3 -10.396 20.161 64.759 1.00 0.00 H new ATOM 30 N GLY A 4 -6.534 18.371 64.317 1.00 0.00 N ATOM 31 CA GLY A 4 -5.853 18.370 63.036 1.00 0.00 C ATOM 32 C GLY A 4 -6.725 17.838 61.916 1.00 0.00 C ATOM 33 O GLY A 4 -7.514 16.915 62.120 1.00 0.00 O ATOM 0 H GLY A 4 -6.728 17.446 64.700 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.537 19.385 62.795 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.950 17.764 63.109 1.00 0.00 H new ATOM 37 N SER A 5 -6.584 18.421 60.730 1.00 0.00 N ATOM 38 CA SER A 5 -7.370 18.003 59.575 1.00 0.00 C ATOM 39 C SER A 5 -6.825 18.626 58.293 1.00 0.00 C ATOM 40 O SER A 5 -6.802 19.848 58.145 1.00 0.00 O ATOM 41 CB SER A 5 -8.837 18.393 59.761 1.00 0.00 C ATOM 42 OG SER A 5 -9.671 17.689 58.857 1.00 0.00 O ATOM 0 H SER A 5 -5.933 19.184 60.544 1.00 0.00 H new ATOM 0 HA SER A 5 -7.298 16.919 59.491 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.146 18.182 60.785 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.953 19.466 59.608 1.00 0.00 H new ATOM 0 HG SER A 5 -10.604 17.955 58.998 1.00 0.00 H new ATOM 48 N SER A 6 -6.387 17.777 57.369 1.00 0.00 N ATOM 49 CA SER A 6 -5.838 18.243 56.101 1.00 0.00 C ATOM 50 C SER A 6 -6.312 17.363 54.948 1.00 0.00 C ATOM 51 O SER A 6 -6.589 16.178 55.129 1.00 0.00 O ATOM 52 CB SER A 6 -4.309 18.251 56.155 1.00 0.00 C ATOM 53 OG SER A 6 -3.818 17.132 56.874 1.00 0.00 O ATOM 0 H SER A 6 -6.402 16.763 57.475 1.00 0.00 H new ATOM 0 HA SER A 6 -6.194 19.259 55.931 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.906 18.242 55.142 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.963 19.171 56.627 1.00 0.00 H new ATOM 0 HG SER A 6 -2.839 17.159 56.893 1.00 0.00 H new ATOM 59 N GLY A 7 -6.404 17.954 53.760 1.00 0.00 N ATOM 60 CA GLY A 7 -6.845 17.211 52.594 1.00 0.00 C ATOM 61 C GLY A 7 -6.351 17.820 51.298 1.00 0.00 C ATOM 62 O GLY A 7 -7.095 17.905 50.320 1.00 0.00 O ATOM 0 H GLY A 7 -6.181 18.934 53.585 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.491 16.183 52.667 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.934 17.173 52.582 1.00 0.00 H new ATOM 66 N ILE A 8 -5.092 18.247 51.288 1.00 0.00 N ATOM 67 CA ILE A 8 -4.500 18.852 50.102 1.00 0.00 C ATOM 68 C ILE A 8 -3.852 17.797 49.212 1.00 0.00 C ATOM 69 O ILE A 8 -2.646 17.562 49.286 1.00 0.00 O ATOM 70 CB ILE A 8 -3.445 19.910 50.476 1.00 0.00 C ATOM 71 CG1 ILE A 8 -4.071 20.999 51.350 1.00 0.00 C ATOM 72 CG2 ILE A 8 -2.834 20.516 49.221 1.00 0.00 C ATOM 73 CD1 ILE A 8 -3.053 21.845 52.082 1.00 0.00 C ATOM 0 H ILE A 8 -4.463 18.185 52.088 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.310 19.336 49.557 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.651 19.425 51.045 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.687 21.646 50.725 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.735 20.533 52.078 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.090 21.262 49.502 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.357 19.732 48.633 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.616 20.989 48.628 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.568 22.596 52.682 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.453 21.210 52.733 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.404 22.340 51.359 1.00 0.00 H new ATOM 85 N LYS A 9 -4.661 17.165 48.369 1.00 0.00 N ATOM 86 CA LYS A 9 -4.168 16.136 47.460 1.00 0.00 C ATOM 87 C LYS A 9 -3.789 16.738 46.111 1.00 0.00 C ATOM 88 O LYS A 9 -4.441 17.665 45.630 1.00 0.00 O ATOM 89 CB LYS A 9 -5.227 15.048 47.267 1.00 0.00 C ATOM 90 CG LYS A 9 -6.405 15.490 46.416 1.00 0.00 C ATOM 91 CD LYS A 9 -7.663 14.711 46.758 1.00 0.00 C ATOM 92 CE LYS A 9 -8.459 15.393 47.861 1.00 0.00 C ATOM 93 NZ LYS A 9 -9.093 14.407 48.779 1.00 0.00 N ATOM 0 H LYS A 9 -5.662 17.347 48.296 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.276 15.692 47.902 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.762 14.178 46.804 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.593 14.732 48.244 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.584 16.555 46.565 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.166 15.352 45.362 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.284 14.612 45.868 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.394 13.703 47.073 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.801 16.049 48.431 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.230 16.023 47.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.626 14.912 49.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.740 13.797 48.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.356 13.823 49.223 1.00 0.00 H new ATOM 107 N GLU A 10 -2.734 16.204 45.505 1.00 0.00 N ATOM 108 CA GLU A 10 -2.270 16.689 44.210 1.00 0.00 C ATOM 109 C GLU A 10 -1.385 15.651 43.525 1.00 0.00 C ATOM 110 O GLU A 10 -0.603 14.959 44.177 1.00 0.00 O ATOM 111 CB GLU A 10 -1.500 18.000 44.378 1.00 0.00 C ATOM 112 CG GLU A 10 -1.173 18.686 43.062 1.00 0.00 C ATOM 113 CD GLU A 10 -0.031 19.676 43.189 1.00 0.00 C ATOM 114 OE1 GLU A 10 -0.181 20.663 43.939 1.00 0.00 O ATOM 115 OE2 GLU A 10 1.013 19.463 42.538 1.00 0.00 O ATOM 0 H GLU A 10 -2.184 15.436 45.889 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.144 16.867 43.583 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.086 18.679 44.996 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.572 17.801 44.915 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.915 17.932 42.318 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.059 19.204 42.696 1.00 0.00 H new ATOM 122 N VAL A 11 -1.516 15.548 42.207 1.00 0.00 N ATOM 123 CA VAL A 11 -0.729 14.596 41.432 1.00 0.00 C ATOM 124 C VAL A 11 -0.012 15.286 40.277 1.00 0.00 C ATOM 125 O VAL A 11 -0.569 16.171 39.628 1.00 0.00 O ATOM 126 CB VAL A 11 -1.610 13.464 40.872 1.00 0.00 C ATOM 127 CG1 VAL A 11 -2.726 14.033 40.008 1.00 0.00 C ATOM 128 CG2 VAL A 11 -0.767 12.474 40.083 1.00 0.00 C ATOM 0 H VAL A 11 -2.160 16.112 41.653 1.00 0.00 H new ATOM 0 HA VAL A 11 0.010 14.170 42.111 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.065 12.934 41.709 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.338 13.218 39.621 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.346 14.700 40.607 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.294 14.589 39.176 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.406 11.681 39.695 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.283 12.989 39.253 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.008 12.042 40.735 1.00 0.00 H new ATOM 138 N ASN A 12 1.227 14.876 40.027 1.00 0.00 N ATOM 139 CA ASN A 12 2.021 15.455 38.949 1.00 0.00 C ATOM 140 C ASN A 12 2.824 14.378 38.226 1.00 0.00 C ATOM 141 O ASN A 12 3.699 13.744 38.814 1.00 0.00 O ATOM 142 CB ASN A 12 2.964 16.525 39.502 1.00 0.00 C ATOM 143 CG ASN A 12 3.625 17.335 38.403 1.00 0.00 C ATOM 144 OD1 ASN A 12 2.982 18.158 37.750 1.00 0.00 O ATOM 145 ND2 ASN A 12 4.916 17.105 38.194 1.00 0.00 N ATOM 0 H ASN A 12 1.703 14.145 40.556 1.00 0.00 H new ATOM 0 HA ASN A 12 1.338 15.915 38.234 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.406 17.194 40.158 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.732 16.049 40.111 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.415 17.620 37.468 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.409 16.414 38.759 1.00 0.00 H new ATOM 152 N GLN A 13 2.519 14.178 36.948 1.00 0.00 N ATOM 153 CA GLN A 13 3.213 13.178 36.145 1.00 0.00 C ATOM 154 C GLN A 13 3.785 13.801 34.876 1.00 0.00 C ATOM 155 O GLN A 13 3.450 14.931 34.521 1.00 0.00 O ATOM 156 CB GLN A 13 2.262 12.036 35.783 1.00 0.00 C ATOM 157 CG GLN A 13 1.028 12.489 35.020 1.00 0.00 C ATOM 158 CD GLN A 13 -0.047 11.422 34.962 1.00 0.00 C ATOM 159 OE1 GLN A 13 -1.005 11.447 35.735 1.00 0.00 O ATOM 160 NE2 GLN A 13 0.106 10.477 34.042 1.00 0.00 N ATOM 0 H GLN A 13 1.796 14.695 36.447 1.00 0.00 H new ATOM 0 HA GLN A 13 4.038 12.781 36.737 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.801 11.302 35.183 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.949 11.532 36.697 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.622 13.383 35.492 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.314 12.766 34.005 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.916 10.495 33.422 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.586 9.733 33.955 1.00 0.00 H new ATOM 169 N ALA A 14 4.650 13.056 34.195 1.00 0.00 N ATOM 170 CA ALA A 14 5.268 13.534 32.965 1.00 0.00 C ATOM 171 C ALA A 14 6.000 14.852 33.194 1.00 0.00 C ATOM 172 O ALA A 14 5.409 15.928 33.091 1.00 0.00 O ATOM 173 CB ALA A 14 4.218 13.694 31.875 1.00 0.00 C ATOM 0 H ALA A 14 4.938 12.119 34.475 1.00 0.00 H new ATOM 0 HA ALA A 14 6.000 12.793 32.644 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.693 14.052 30.962 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.742 12.732 31.684 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.465 14.413 32.198 1.00 0.00 H new ATOM 179 N LEU A 15 7.288 14.761 33.506 1.00 0.00 N ATOM 180 CA LEU A 15 8.101 15.948 33.750 1.00 0.00 C ATOM 181 C LEU A 15 9.378 15.914 32.916 1.00 0.00 C ATOM 182 O LEU A 15 10.455 15.599 33.422 1.00 0.00 O ATOM 183 CB LEU A 15 8.452 16.052 35.236 1.00 0.00 C ATOM 184 CG LEU A 15 8.835 14.745 35.929 1.00 0.00 C ATOM 185 CD1 LEU A 15 9.863 15.000 37.020 1.00 0.00 C ATOM 186 CD2 LEU A 15 7.602 14.064 36.504 1.00 0.00 C ATOM 0 H LEU A 15 7.792 13.879 33.596 1.00 0.00 H new ATOM 0 HA LEU A 15 7.521 16.823 33.457 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.279 16.753 35.345 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.599 16.482 35.761 1.00 0.00 H new ATOM 0 HG LEU A 15 9.279 14.081 35.188 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.123 14.058 37.502 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.757 15.442 36.581 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.446 15.683 37.760 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.894 13.135 36.994 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.128 14.723 37.231 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.899 13.845 35.700 1.00 0.00 H new ATOM 198 N LYS A 16 9.250 16.244 31.635 1.00 0.00 N ATOM 199 CA LYS A 16 10.393 16.256 30.730 1.00 0.00 C ATOM 200 C LYS A 16 10.575 17.633 30.101 1.00 0.00 C ATOM 201 O LYS A 16 9.653 18.448 30.090 1.00 0.00 O ATOM 202 CB LYS A 16 10.213 15.203 29.635 1.00 0.00 C ATOM 203 CG LYS A 16 9.952 13.806 30.171 1.00 0.00 C ATOM 204 CD LYS A 16 9.575 12.843 29.057 1.00 0.00 C ATOM 205 CE LYS A 16 8.540 11.830 29.523 1.00 0.00 C ATOM 206 NZ LYS A 16 8.980 10.430 29.265 1.00 0.00 N ATOM 0 H LYS A 16 8.366 16.507 31.200 1.00 0.00 H new ATOM 0 HA LYS A 16 11.286 16.020 31.309 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.383 15.497 28.993 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.107 15.183 29.012 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.841 13.440 30.684 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.150 13.842 30.909 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.182 13.403 28.208 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.466 12.321 28.709 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.356 11.962 30.589 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.595 12.014 29.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.248 9.769 29.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.131 10.296 28.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.868 10.246 29.774 1.00 0.00 H new ATOM 220 N GLY A 17 11.770 17.886 29.576 1.00 0.00 N ATOM 221 CA GLY A 17 12.050 19.166 28.951 1.00 0.00 C ATOM 222 C GLY A 17 12.815 19.021 27.651 1.00 0.00 C ATOM 223 O GLY A 17 13.888 19.601 27.485 1.00 0.00 O ATOM 0 H GLY A 17 12.549 17.228 29.572 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.112 19.687 28.761 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.624 19.785 29.640 1.00 0.00 H new ATOM 227 N HIS A 18 12.262 18.243 26.725 1.00 0.00 N ATOM 228 CA HIS A 18 12.900 18.023 25.432 1.00 0.00 C ATOM 229 C HIS A 18 11.856 17.855 24.332 1.00 0.00 C ATOM 230 O HIS A 18 10.765 17.339 24.573 1.00 0.00 O ATOM 231 CB HIS A 18 13.801 16.789 25.488 1.00 0.00 C ATOM 232 CG HIS A 18 15.231 17.076 25.148 1.00 0.00 C ATOM 233 ND1 HIS A 18 16.206 17.277 26.103 1.00 0.00 N ATOM 234 CD2 HIS A 18 15.851 17.192 23.950 1.00 0.00 C ATOM 235 CE1 HIS A 18 17.362 17.507 25.507 1.00 0.00 C ATOM 236 NE2 HIS A 18 17.174 17.461 24.201 1.00 0.00 N ATOM 0 H HIS A 18 11.374 17.755 26.846 1.00 0.00 H new ATOM 0 HA HIS A 18 13.508 18.898 25.201 1.00 0.00 H new ATOM 0 HB2 HIS A 18 13.753 16.359 26.489 1.00 0.00 H new ATOM 0 HB3 HIS A 18 13.416 16.037 24.799 1.00 0.00 H new ATOM 0 HD2 HIS A 18 15.391 17.092 22.978 1.00 0.00 H new ATOM 0 HE1 HIS A 18 18.301 17.700 26.004 1.00 0.00 H new ATOM 0 HE2 HIS A 18 17.895 17.602 23.493 1.00 0.00 H new ATOM 244 N ALA A 19 12.197 18.296 23.126 1.00 0.00 N ATOM 245 CA ALA A 19 11.290 18.194 21.990 1.00 0.00 C ATOM 246 C ALA A 19 11.736 17.098 21.027 1.00 0.00 C ATOM 247 O ALA A 19 12.686 17.278 20.265 1.00 0.00 O ATOM 248 CB ALA A 19 11.197 19.529 21.266 1.00 0.00 C ATOM 0 H ALA A 19 13.096 18.728 22.910 1.00 0.00 H new ATOM 0 HA ALA A 19 10.303 17.929 22.369 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.516 19.437 20.420 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.823 20.290 21.952 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.185 19.818 20.907 1.00 0.00 H new ATOM 254 N TRP A 20 11.047 15.964 21.069 1.00 0.00 N ATOM 255 CA TRP A 20 11.373 14.839 20.200 1.00 0.00 C ATOM 256 C TRP A 20 10.109 14.126 19.733 1.00 0.00 C ATOM 257 O TRP A 20 9.327 13.631 20.546 1.00 0.00 O ATOM 258 CB TRP A 20 12.289 13.854 20.929 1.00 0.00 C ATOM 259 CG TRP A 20 11.734 13.386 22.240 1.00 0.00 C ATOM 260 CD1 TRP A 20 11.748 14.066 23.425 1.00 0.00 C ATOM 261 CD2 TRP A 20 11.086 12.137 22.500 1.00 0.00 C ATOM 262 NE1 TRP A 20 11.146 13.313 24.405 1.00 0.00 N ATOM 263 CE2 TRP A 20 10.731 12.126 23.863 1.00 0.00 C ATOM 264 CE3 TRP A 20 10.768 11.027 21.713 1.00 0.00 C ATOM 265 CZ2 TRP A 20 10.077 11.048 24.453 1.00 0.00 C ATOM 266 CZ3 TRP A 20 10.119 9.957 22.300 1.00 0.00 C ATOM 267 CH2 TRP A 20 9.778 9.974 23.659 1.00 0.00 C ATOM 0 H TRP A 20 10.259 15.799 21.695 1.00 0.00 H new ATOM 0 HA TRP A 20 11.892 15.228 19.324 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.465 12.990 20.288 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.256 14.327 21.100 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.170 15.050 23.570 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.028 13.593 25.379 1.00 0.00 H new ATOM 0 HE3 TRP A 20 11.025 11.005 20.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 9.815 11.059 25.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 9.871 9.093 21.701 1.00 0.00 H new ATOM 0 HH2 TRP A 20 9.269 9.123 24.088 1.00 0.00 H new ATOM 278 N LEU A 21 9.913 14.077 18.420 1.00 0.00 N ATOM 279 CA LEU A 21 8.742 13.424 17.845 1.00 0.00 C ATOM 280 C LEU A 21 7.456 14.076 18.342 1.00 0.00 C ATOM 281 O LEU A 21 6.898 13.675 19.363 1.00 0.00 O ATOM 282 CB LEU A 21 8.741 11.935 18.196 1.00 0.00 C ATOM 283 CG LEU A 21 9.185 10.983 17.084 1.00 0.00 C ATOM 284 CD1 LEU A 21 10.593 10.474 17.349 1.00 0.00 C ATOM 285 CD2 LEU A 21 8.211 9.822 16.956 1.00 0.00 C ATOM 0 H LEU A 21 10.550 14.482 17.733 1.00 0.00 H new ATOM 0 HA LEU A 21 8.789 13.536 16.762 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.392 11.785 19.057 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.734 11.656 18.505 1.00 0.00 H new ATOM 0 HG LEU A 21 9.190 11.532 16.142 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.892 9.798 16.548 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.283 11.317 17.389 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.614 9.942 18.300 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.543 9.155 16.160 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.173 9.273 17.897 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.218 10.204 16.719 1.00 0.00 H new ATOM 297 N LYS A 22 6.989 15.083 17.611 1.00 0.00 N ATOM 298 CA LYS A 22 5.766 15.789 17.974 1.00 0.00 C ATOM 299 C LYS A 22 4.550 15.146 17.316 1.00 0.00 C ATOM 300 O LYS A 22 3.414 15.369 17.737 1.00 0.00 O ATOM 301 CB LYS A 22 5.862 17.261 17.564 1.00 0.00 C ATOM 302 CG LYS A 22 5.658 18.228 18.718 1.00 0.00 C ATOM 303 CD LYS A 22 6.983 18.735 19.262 1.00 0.00 C ATOM 304 CE LYS A 22 6.814 19.379 20.629 1.00 0.00 C ATOM 305 NZ LYS A 22 7.735 18.787 21.639 1.00 0.00 N ATOM 0 H LYS A 22 7.439 15.428 16.763 1.00 0.00 H new ATOM 0 HA LYS A 22 5.647 15.726 19.056 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.840 17.442 17.118 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.117 17.465 16.794 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.054 19.072 18.384 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.102 17.733 19.514 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.689 17.907 19.333 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.410 19.459 18.568 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.000 20.450 20.551 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.783 19.258 20.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.978 19.505 22.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.269 17.982 22.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.602 18.460 21.168 1.00 0.00 H new ATOM 319 N ASP A 23 4.795 14.346 16.284 1.00 0.00 N ATOM 320 CA ASP A 23 3.720 13.668 15.570 1.00 0.00 C ATOM 321 C ASP A 23 2.681 14.669 15.074 1.00 0.00 C ATOM 322 O ASP A 23 1.535 14.663 15.524 1.00 0.00 O ATOM 323 CB ASP A 23 3.055 12.629 16.473 1.00 0.00 C ATOM 324 CG ASP A 23 3.799 11.308 16.483 1.00 0.00 C ATOM 325 OD1 ASP A 23 4.546 11.041 15.518 1.00 0.00 O ATOM 326 OD2 ASP A 23 3.636 10.543 17.455 1.00 0.00 O ATOM 0 H ASP A 23 5.729 14.151 15.923 1.00 0.00 H new ATOM 0 HA ASP A 23 4.153 13.163 14.706 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.999 13.018 17.490 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.031 12.463 16.138 1.00 0.00 H new ATOM 331 N ASP A 24 3.090 15.528 14.146 1.00 0.00 N ATOM 332 CA ASP A 24 2.194 16.535 13.589 1.00 0.00 C ATOM 333 C ASP A 24 1.052 15.880 12.819 1.00 0.00 C ATOM 334 O ASP A 24 -0.107 15.958 13.224 1.00 0.00 O ATOM 335 CB ASP A 24 2.967 17.483 12.671 1.00 0.00 C ATOM 336 CG ASP A 24 3.964 18.338 13.430 1.00 0.00 C ATOM 337 OD1 ASP A 24 4.978 17.786 13.907 1.00 0.00 O ATOM 338 OD2 ASP A 24 3.731 19.559 13.545 1.00 0.00 O ATOM 0 H ASP A 24 4.036 15.547 13.764 1.00 0.00 H new ATOM 0 HA ASP A 24 1.770 17.106 14.415 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.493 16.902 11.913 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.264 18.129 12.146 1.00 0.00 H new ATOM 343 N GLU A 25 1.388 15.236 11.705 1.00 0.00 N ATOM 344 CA GLU A 25 0.390 14.570 10.877 1.00 0.00 C ATOM 345 C GLU A 25 0.771 13.113 10.632 1.00 0.00 C ATOM 346 O GLU A 25 0.134 12.198 11.153 1.00 0.00 O ATOM 347 CB GLU A 25 0.233 15.300 9.542 1.00 0.00 C ATOM 348 CG GLU A 25 -0.449 16.652 9.663 1.00 0.00 C ATOM 349 CD GLU A 25 -0.120 17.577 8.508 1.00 0.00 C ATOM 350 OE1 GLU A 25 0.600 17.143 7.585 1.00 0.00 O ATOM 351 OE2 GLU A 25 -0.582 18.737 8.528 1.00 0.00 O ATOM 0 H GLU A 25 2.343 15.162 11.356 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.561 14.594 11.409 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.218 15.438 9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.341 14.673 8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.528 16.507 9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.148 17.124 10.598 1.00 0.00 H new ATOM 358 N ALA A 26 1.813 12.906 9.834 1.00 0.00 N ATOM 359 CA ALA A 26 2.281 11.562 9.520 1.00 0.00 C ATOM 360 C ALA A 26 3.635 11.601 8.821 1.00 0.00 C ATOM 361 O ALA A 26 3.748 12.067 7.687 1.00 0.00 O ATOM 362 CB ALA A 26 1.259 10.836 8.657 1.00 0.00 C ATOM 0 H ALA A 26 2.350 13.653 9.393 1.00 0.00 H new ATOM 0 HA ALA A 26 2.402 11.018 10.457 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.621 9.833 8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.313 10.767 9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.110 11.387 7.728 1.00 0.00 H new ATOM 368 N THR A 27 4.663 11.109 9.505 1.00 0.00 N ATOM 369 CA THR A 27 6.011 11.089 8.951 1.00 0.00 C ATOM 370 C THR A 27 6.485 9.660 8.710 1.00 0.00 C ATOM 371 O THR A 27 7.338 9.414 7.856 1.00 0.00 O ATOM 372 CB THR A 27 7.012 11.800 9.881 1.00 0.00 C ATOM 373 OG1 THR A 27 6.350 12.840 10.609 1.00 0.00 O ATOM 374 CG2 THR A 27 8.168 12.386 9.085 1.00 0.00 C ATOM 0 H THR A 27 4.588 10.719 10.444 1.00 0.00 H new ATOM 0 HA THR A 27 5.970 11.621 8.000 1.00 0.00 H new ATOM 0 HB THR A 27 7.410 11.065 10.580 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.993 13.286 11.199 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.862 12.883 9.763 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.687 11.587 8.556 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.784 13.109 8.365 1.00 0.00 H new ATOM 382 N HIS A 28 5.927 8.720 9.466 1.00 0.00 N ATOM 383 CA HIS A 28 6.293 7.315 9.333 1.00 0.00 C ATOM 384 C HIS A 28 5.091 6.479 8.903 1.00 0.00 C ATOM 385 O HIS A 28 3.990 7.002 8.723 1.00 0.00 O ATOM 386 CB HIS A 28 6.851 6.784 10.654 1.00 0.00 C ATOM 387 CG HIS A 28 8.170 7.384 11.031 1.00 0.00 C ATOM 388 ND1 HIS A 28 8.340 8.728 11.288 1.00 0.00 N ATOM 389 CD2 HIS A 28 9.387 6.815 11.195 1.00 0.00 C ATOM 390 CE1 HIS A 28 9.604 8.960 11.593 1.00 0.00 C ATOM 391 NE2 HIS A 28 10.261 7.815 11.544 1.00 0.00 N ATOM 0 H HIS A 28 5.220 8.906 10.177 1.00 0.00 H new ATOM 0 HA HIS A 28 7.062 7.237 8.565 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.131 6.981 11.448 1.00 0.00 H new ATOM 0 HB3 HIS A 28 6.960 5.702 10.584 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.626 5.769 11.074 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.028 9.922 11.840 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.256 7.693 11.734 1.00 0.00 H new ATOM 399 N CYS A 29 5.309 5.179 8.738 1.00 0.00 N ATOM 400 CA CYS A 29 4.245 4.270 8.328 1.00 0.00 C ATOM 401 C CYS A 29 3.450 3.782 9.536 1.00 0.00 C ATOM 402 O CYS A 29 3.979 3.690 10.643 1.00 0.00 O ATOM 403 CB CYS A 29 4.830 3.076 7.572 1.00 0.00 C ATOM 404 SG CYS A 29 3.581 2.030 6.755 1.00 0.00 S ATOM 0 H CYS A 29 6.214 4.731 8.882 1.00 0.00 H new ATOM 0 HA CYS A 29 3.570 4.815 7.668 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.529 3.442 6.821 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.402 2.463 8.269 1.00 0.00 H new ATOM 409 N ARG A 30 2.177 3.472 9.313 1.00 0.00 N ATOM 410 CA ARG A 30 1.309 2.994 10.382 1.00 0.00 C ATOM 411 C ARG A 30 1.242 1.470 10.389 1.00 0.00 C ATOM 412 O ARG A 30 0.197 0.887 10.674 1.00 0.00 O ATOM 413 CB ARG A 30 -0.097 3.576 10.225 1.00 0.00 C ATOM 414 CG ARG A 30 -0.750 3.954 11.545 1.00 0.00 C ATOM 415 CD ARG A 30 -1.606 2.820 12.087 1.00 0.00 C ATOM 416 NE ARG A 30 -2.411 3.241 13.231 1.00 0.00 N ATOM 417 CZ ARG A 30 -2.996 2.394 14.069 1.00 0.00 C ATOM 418 NH1 ARG A 30 -2.866 1.086 13.894 1.00 0.00 N ATOM 419 NH2 ARG A 30 -3.713 2.854 15.087 1.00 0.00 N ATOM 0 H ARG A 30 1.724 3.543 8.402 1.00 0.00 H new ATOM 0 HA ARG A 30 1.729 3.326 11.332 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.047 4.459 9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.727 2.849 9.713 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.020 4.210 12.273 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.366 4.842 11.406 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.262 2.452 11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.964 1.990 12.381 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.530 4.241 13.395 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.315 0.728 13.114 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.317 0.438 14.540 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.815 3.859 15.226 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.162 2.202 15.730 1.00 0.00 H new ATOM 433 N GLN A 31 2.364 0.832 10.071 1.00 0.00 N ATOM 434 CA GLN A 31 2.432 -0.624 10.039 1.00 0.00 C ATOM 435 C GLN A 31 3.879 -1.103 10.079 1.00 0.00 C ATOM 436 O GLN A 31 4.204 -2.074 10.763 1.00 0.00 O ATOM 437 CB GLN A 31 1.739 -1.161 8.785 1.00 0.00 C ATOM 438 CG GLN A 31 1.858 -2.667 8.622 1.00 0.00 C ATOM 439 CD GLN A 31 0.673 -3.270 7.893 1.00 0.00 C ATOM 440 OE1 GLN A 31 -0.429 -3.351 8.435 1.00 0.00 O ATOM 441 NE2 GLN A 31 0.895 -3.698 6.655 1.00 0.00 N ATOM 0 H GLN A 31 3.238 1.301 9.832 1.00 0.00 H new ATOM 0 HA GLN A 31 1.918 -1.005 10.921 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.684 -0.890 8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.165 -0.674 7.908 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.772 -2.898 8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.949 -3.129 9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.825 -3.611 6.244 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.136 -4.113 6.115 1.00 0.00 H new ATOM 450 N CYS A 32 4.745 -0.417 9.341 1.00 0.00 N ATOM 451 CA CYS A 32 6.158 -0.772 9.291 1.00 0.00 C ATOM 452 C CYS A 32 6.963 0.058 10.286 1.00 0.00 C ATOM 453 O CYS A 32 8.018 -0.368 10.754 1.00 0.00 O ATOM 454 CB CYS A 32 6.707 -0.566 7.877 1.00 0.00 C ATOM 455 SG CYS A 32 5.686 -1.316 6.567 1.00 0.00 S ATOM 0 H CYS A 32 4.493 0.389 8.769 1.00 0.00 H new ATOM 0 HA CYS A 32 6.253 -1.824 9.561 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.797 0.503 7.686 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.712 -0.985 7.824 1.00 0.00 H new ATOM 460 N GLU A 33 6.457 1.246 10.605 1.00 0.00 N ATOM 461 CA GLU A 33 7.129 2.135 11.544 1.00 0.00 C ATOM 462 C GLU A 33 8.490 2.567 11.005 1.00 0.00 C ATOM 463 O GLU A 33 9.477 2.607 11.740 1.00 0.00 O ATOM 464 CB GLU A 33 7.300 1.446 12.900 1.00 0.00 C ATOM 465 CG GLU A 33 7.267 2.405 14.078 1.00 0.00 C ATOM 466 CD GLU A 33 7.189 1.688 15.412 1.00 0.00 C ATOM 467 OE1 GLU A 33 6.859 0.483 15.418 1.00 0.00 O ATOM 468 OE2 GLU A 33 7.457 2.331 16.448 1.00 0.00 O ATOM 0 H GLU A 33 5.584 1.614 10.227 1.00 0.00 H new ATOM 0 HA GLU A 33 6.510 3.023 11.671 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.511 0.705 13.024 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.247 0.907 12.907 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.159 3.030 14.058 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.409 3.070 13.976 1.00 0.00 H new ATOM 475 N LYS A 34 8.535 2.888 9.717 1.00 0.00 N ATOM 476 CA LYS A 34 9.773 3.318 9.078 1.00 0.00 C ATOM 477 C LYS A 34 9.613 4.703 8.458 1.00 0.00 C ATOM 478 O LYS A 34 8.546 5.045 7.950 1.00 0.00 O ATOM 479 CB LYS A 34 10.192 2.312 8.003 1.00 0.00 C ATOM 480 CG LYS A 34 10.700 0.996 8.567 1.00 0.00 C ATOM 481 CD LYS A 34 11.915 0.495 7.805 1.00 0.00 C ATOM 482 CE LYS A 34 11.516 -0.181 6.502 1.00 0.00 C ATOM 483 NZ LYS A 34 11.788 0.684 5.322 1.00 0.00 N ATOM 0 H LYS A 34 7.728 2.859 9.094 1.00 0.00 H new ATOM 0 HA LYS A 34 10.549 3.369 9.842 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.341 2.114 7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.971 2.757 7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.956 1.125 9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.907 0.249 8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.583 1.330 7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.471 -0.208 8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.061 -1.119 6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.455 -0.431 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.502 0.187 4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.248 1.569 5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.804 0.901 5.278 1.00 0.00 H new ATOM 497 N GLU A 35 10.681 5.493 8.502 1.00 0.00 N ATOM 498 CA GLU A 35 10.658 6.839 7.943 1.00 0.00 C ATOM 499 C GLU A 35 10.406 6.800 6.439 1.00 0.00 C ATOM 500 O GLU A 35 11.006 6.003 5.718 1.00 0.00 O ATOM 501 CB GLU A 35 11.978 7.558 8.232 1.00 0.00 C ATOM 502 CG GLU A 35 11.981 9.017 7.809 1.00 0.00 C ATOM 503 CD GLU A 35 13.234 9.749 8.249 1.00 0.00 C ATOM 504 OE1 GLU A 35 14.183 9.078 8.706 1.00 0.00 O ATOM 505 OE2 GLU A 35 13.267 10.992 8.136 1.00 0.00 O ATOM 0 H GLU A 35 11.572 5.224 8.919 1.00 0.00 H new ATOM 0 HA GLU A 35 9.843 7.387 8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.189 7.497 9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.786 7.038 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.891 9.077 6.724 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.107 9.515 8.229 1.00 0.00 H new ATOM 512 N PHE A 36 9.512 7.666 5.972 1.00 0.00 N ATOM 513 CA PHE A 36 9.178 7.730 4.554 1.00 0.00 C ATOM 514 C PHE A 36 10.346 8.287 3.745 1.00 0.00 C ATOM 515 O PHE A 36 10.921 9.318 4.093 1.00 0.00 O ATOM 516 CB PHE A 36 7.936 8.597 4.340 1.00 0.00 C ATOM 517 CG PHE A 36 6.652 7.902 4.691 1.00 0.00 C ATOM 518 CD1 PHE A 36 6.363 6.649 4.175 1.00 0.00 C ATOM 519 CD2 PHE A 36 5.733 8.501 5.538 1.00 0.00 C ATOM 520 CE1 PHE A 36 5.182 6.006 4.496 1.00 0.00 C ATOM 521 CE2 PHE A 36 4.551 7.863 5.864 1.00 0.00 C ATOM 522 CZ PHE A 36 4.275 6.615 5.341 1.00 0.00 C ATOM 0 H PHE A 36 9.006 8.333 6.555 1.00 0.00 H new ATOM 0 HA PHE A 36 8.970 6.717 4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.026 9.502 4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.897 8.910 3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.069 6.169 3.514 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.943 9.478 5.948 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.969 5.029 4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.844 8.340 6.527 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.351 6.116 5.592 1.00 0.00 H new ATOM 532 N SER A 37 10.692 7.595 2.664 1.00 0.00 N ATOM 533 CA SER A 37 11.793 8.017 1.807 1.00 0.00 C ATOM 534 C SER A 37 11.315 8.236 0.375 1.00 0.00 C ATOM 535 O SER A 37 10.127 8.101 0.078 1.00 0.00 O ATOM 536 CB SER A 37 12.912 6.974 1.828 1.00 0.00 C ATOM 537 OG SER A 37 14.101 7.512 2.380 1.00 0.00 O ATOM 0 H SER A 37 10.226 6.740 2.361 1.00 0.00 H new ATOM 0 HA SER A 37 12.178 8.962 2.192 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.596 6.109 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.105 6.622 0.814 1.00 0.00 H new ATOM 0 HG SER A 37 14.800 6.825 2.384 1.00 0.00 H new ATOM 543 N ILE A 38 12.248 8.575 -0.509 1.00 0.00 N ATOM 544 CA ILE A 38 11.922 8.812 -1.910 1.00 0.00 C ATOM 545 C ILE A 38 11.369 7.552 -2.566 1.00 0.00 C ATOM 546 O ILE A 38 10.504 7.623 -3.439 1.00 0.00 O ATOM 547 CB ILE A 38 13.154 9.292 -2.700 1.00 0.00 C ATOM 548 CG1 ILE A 38 13.730 10.561 -2.070 1.00 0.00 C ATOM 549 CG2 ILE A 38 12.786 9.537 -4.156 1.00 0.00 C ATOM 550 CD1 ILE A 38 15.112 10.372 -1.485 1.00 0.00 C ATOM 0 H ILE A 38 13.235 8.692 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 38 11.161 9.592 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 38 13.916 8.514 -2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.768 11.346 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.056 10.905 -1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.667 9.876 -4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.418 8.611 -4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.009 10.300 -4.212 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.457 11.313 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 38 15.077 9.610 -0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 38 15.800 10.057 -2.270 1.00 0.00 H new ATOM 562 N SER A 39 11.874 6.399 -2.139 1.00 0.00 N ATOM 563 CA SER A 39 11.432 5.122 -2.687 1.00 0.00 C ATOM 564 C SER A 39 10.094 4.705 -2.084 1.00 0.00 C ATOM 565 O SER A 39 9.319 3.979 -2.706 1.00 0.00 O ATOM 566 CB SER A 39 12.481 4.040 -2.425 1.00 0.00 C ATOM 567 OG SER A 39 12.417 3.019 -3.406 1.00 0.00 O ATOM 0 H SER A 39 12.589 6.323 -1.416 1.00 0.00 H new ATOM 0 HA SER A 39 11.304 5.242 -3.763 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.476 4.486 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.324 3.609 -1.436 1.00 0.00 H new ATOM 0 HG SER A 39 13.098 2.341 -3.217 1.00 0.00 H new ATOM 573 N ARG A 40 9.830 5.171 -0.867 1.00 0.00 N ATOM 574 CA ARG A 40 8.587 4.846 -0.178 1.00 0.00 C ATOM 575 C ARG A 40 7.649 6.050 -0.153 1.00 0.00 C ATOM 576 O ARG A 40 7.533 6.738 0.861 1.00 0.00 O ATOM 577 CB ARG A 40 8.878 4.383 1.251 1.00 0.00 C ATOM 578 CG ARG A 40 8.927 2.871 1.403 1.00 0.00 C ATOM 579 CD ARG A 40 10.215 2.296 0.835 1.00 0.00 C ATOM 580 NE ARG A 40 10.221 0.836 0.862 1.00 0.00 N ATOM 581 CZ ARG A 40 11.297 0.101 0.609 1.00 0.00 C ATOM 582 NH1 ARG A 40 12.449 0.686 0.312 1.00 0.00 N ATOM 583 NH2 ARG A 40 11.223 -1.224 0.652 1.00 0.00 N ATOM 0 H ARG A 40 10.460 5.774 -0.339 1.00 0.00 H new ATOM 0 HA ARG A 40 8.099 4.038 -0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.831 4.803 1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.112 4.782 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.843 2.607 2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.073 2.425 0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.344 2.640 -0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.063 2.673 1.407 1.00 0.00 H new ATOM 0 HE ARG A 40 9.351 0.355 1.088 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.510 1.704 0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.274 0.119 0.118 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.339 -1.678 0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.051 -1.788 0.457 1.00 0.00 H new ATOM 597 N ARG A 41 6.983 6.297 -1.276 1.00 0.00 N ATOM 598 CA ARG A 41 6.057 7.418 -1.384 1.00 0.00 C ATOM 599 C ARG A 41 4.834 7.200 -0.497 1.00 0.00 C ATOM 600 O ARG A 41 4.509 6.068 -0.137 1.00 0.00 O ATOM 601 CB ARG A 41 5.619 7.607 -2.837 1.00 0.00 C ATOM 602 CG ARG A 41 6.777 7.811 -3.800 1.00 0.00 C ATOM 603 CD ARG A 41 6.444 8.851 -4.859 1.00 0.00 C ATOM 604 NE ARG A 41 5.228 8.514 -5.594 1.00 0.00 N ATOM 605 CZ ARG A 41 4.770 9.221 -6.621 1.00 0.00 C ATOM 606 NH1 ARG A 41 5.425 10.298 -7.033 1.00 0.00 N ATOM 607 NH2 ARG A 41 3.656 8.850 -7.239 1.00 0.00 N ATOM 0 H ARG A 41 7.067 5.736 -2.124 1.00 0.00 H new ATOM 0 HA ARG A 41 6.573 8.317 -1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.045 6.735 -3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.951 8.466 -2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.662 8.125 -3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.022 6.865 -4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.323 9.825 -4.385 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.277 8.937 -5.557 1.00 0.00 H new ATOM 0 HE ARG A 41 4.701 7.690 -5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.282 10.585 -6.561 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.071 10.839 -7.822 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.151 8.021 -6.925 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.305 9.394 -8.028 1.00 0.00 H new ATOM 621 N LYS A 42 4.161 8.291 -0.148 1.00 0.00 N ATOM 622 CA LYS A 42 2.974 8.220 0.695 1.00 0.00 C ATOM 623 C LYS A 42 1.756 7.788 -0.115 1.00 0.00 C ATOM 624 O LYS A 42 1.559 8.234 -1.245 1.00 0.00 O ATOM 625 CB LYS A 42 2.708 9.578 1.350 1.00 0.00 C ATOM 626 CG LYS A 42 3.632 9.882 2.517 1.00 0.00 C ATOM 627 CD LYS A 42 2.924 10.683 3.596 1.00 0.00 C ATOM 628 CE LYS A 42 3.899 11.548 4.378 1.00 0.00 C ATOM 629 NZ LYS A 42 4.276 12.778 3.627 1.00 0.00 N ATOM 0 H LYS A 42 4.418 9.235 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 42 3.154 7.477 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.815 10.361 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.675 9.608 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.004 8.949 2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.499 10.438 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.161 11.314 3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.411 10.004 4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.452 11.828 5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.796 10.971 4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.942 13.341 4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.726 12.512 2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.424 13.342 3.434 1.00 0.00 H new ATOM 643 N HIS A 43 0.940 6.917 0.471 1.00 0.00 N ATOM 644 CA HIS A 43 -0.261 6.425 -0.196 1.00 0.00 C ATOM 645 C HIS A 43 -1.468 6.501 0.734 1.00 0.00 C ATOM 646 O HIS A 43 -1.481 5.889 1.803 1.00 0.00 O ATOM 647 CB HIS A 43 -0.055 4.985 -0.667 1.00 0.00 C ATOM 648 CG HIS A 43 0.794 4.873 -1.896 1.00 0.00 C ATOM 649 ND1 HIS A 43 0.384 5.312 -3.137 1.00 0.00 N ATOM 650 CD2 HIS A 43 2.039 4.369 -2.069 1.00 0.00 C ATOM 651 CE1 HIS A 43 1.338 5.081 -4.021 1.00 0.00 C ATOM 652 NE2 HIS A 43 2.353 4.510 -3.398 1.00 0.00 N ATOM 0 H HIS A 43 1.088 6.537 1.406 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.451 7.059 -1.062 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.406 4.411 0.137 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.027 4.533 -0.864 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.667 3.937 -1.304 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.295 5.319 -5.074 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.229 4.221 -3.834 1.00 0.00 H new ATOM 660 N HIS A 44 -2.481 7.256 0.320 1.00 0.00 N ATOM 661 CA HIS A 44 -3.693 7.412 1.116 1.00 0.00 C ATOM 662 C HIS A 44 -4.736 6.368 0.729 1.00 0.00 C ATOM 663 O HIS A 44 -5.016 6.164 -0.453 1.00 0.00 O ATOM 664 CB HIS A 44 -4.270 8.816 0.936 1.00 0.00 C ATOM 665 CG HIS A 44 -3.325 9.908 1.336 1.00 0.00 C ATOM 666 ND1 HIS A 44 -3.616 11.247 1.186 1.00 0.00 N ATOM 667 CD2 HIS A 44 -2.089 9.851 1.884 1.00 0.00 C ATOM 668 CE1 HIS A 44 -2.598 11.968 1.623 1.00 0.00 C ATOM 669 NE2 HIS A 44 -1.659 11.145 2.053 1.00 0.00 N ATOM 0 H HIS A 44 -2.486 7.769 -0.562 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.430 7.267 2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.550 8.954 -0.108 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.183 8.903 1.525 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.543 8.956 2.141 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -2.543 13.047 1.628 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.760 11.425 2.447 1.00 0.00 H new ATOM 677 N CYS A 45 -5.307 5.708 1.731 1.00 0.00 N ATOM 678 CA CYS A 45 -6.317 4.684 1.496 1.00 0.00 C ATOM 679 C CYS A 45 -7.655 5.316 1.122 1.00 0.00 C ATOM 680 O CYS A 45 -8.030 6.361 1.654 1.00 0.00 O ATOM 681 CB CYS A 45 -6.484 3.807 2.739 1.00 0.00 C ATOM 682 SG CYS A 45 -7.347 2.233 2.428 1.00 0.00 S ATOM 0 H CYS A 45 -5.087 5.865 2.715 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.983 4.063 0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.499 3.593 3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.034 4.368 3.495 1.00 0.00 H new ATOM 687 N ARG A 46 -8.370 4.674 0.204 1.00 0.00 N ATOM 688 CA ARG A 46 -9.666 5.172 -0.241 1.00 0.00 C ATOM 689 C ARG A 46 -10.803 4.437 0.462 1.00 0.00 C ATOM 690 O ARG A 46 -11.941 4.444 -0.003 1.00 0.00 O ATOM 691 CB ARG A 46 -9.803 5.016 -1.757 1.00 0.00 C ATOM 692 CG ARG A 46 -9.145 6.135 -2.547 1.00 0.00 C ATOM 693 CD ARG A 46 -7.693 5.814 -2.864 1.00 0.00 C ATOM 694 NE ARG A 46 -6.984 6.968 -3.411 1.00 0.00 N ATOM 695 CZ ARG A 46 -7.171 7.430 -4.642 1.00 0.00 C ATOM 696 NH1 ARG A 46 -8.041 6.839 -5.450 1.00 0.00 N ATOM 697 NH2 ARG A 46 -6.488 8.485 -5.068 1.00 0.00 N ATOM 0 H ARG A 46 -8.074 3.808 -0.246 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.728 6.230 0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.364 4.064 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.861 4.974 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.694 6.298 -3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.198 7.063 -1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.190 5.476 -1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.651 4.991 -3.578 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.308 7.445 -2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.568 6.028 -5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.183 7.196 -6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.818 8.942 -4.450 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.633 8.838 -6.014 1.00 0.00 H new ATOM 711 N ASN A 47 -10.485 3.802 1.585 1.00 0.00 N ATOM 712 CA ASN A 47 -11.479 3.060 2.352 1.00 0.00 C ATOM 713 C ASN A 47 -11.474 3.496 3.814 1.00 0.00 C ATOM 714 O ASN A 47 -12.439 4.087 4.300 1.00 0.00 O ATOM 715 CB ASN A 47 -11.210 1.557 2.256 1.00 0.00 C ATOM 716 CG ASN A 47 -12.319 0.730 2.879 1.00 0.00 C ATOM 717 OD1 ASN A 47 -13.390 1.247 3.196 1.00 0.00 O ATOM 718 ND2 ASN A 47 -12.065 -0.561 3.058 1.00 0.00 N ATOM 0 H ASN A 47 -9.547 3.786 1.984 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.461 3.274 1.930 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.096 1.277 1.209 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.267 1.327 2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.772 -1.167 3.473 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.163 -0.947 2.780 1.00 0.00 H new ATOM 725 N CYS A 48 -10.382 3.200 4.511 1.00 0.00 N ATOM 726 CA CYS A 48 -10.250 3.561 5.917 1.00 0.00 C ATOM 727 C CYS A 48 -9.712 4.981 6.066 1.00 0.00 C ATOM 728 O CYS A 48 -9.962 5.649 7.068 1.00 0.00 O ATOM 729 CB CYS A 48 -9.326 2.575 6.634 1.00 0.00 C ATOM 730 SG CYS A 48 -7.617 2.564 6.002 1.00 0.00 S ATOM 0 H CYS A 48 -9.575 2.711 4.124 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.240 3.517 6.372 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.308 2.818 7.697 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.742 1.572 6.543 1.00 0.00 H new ATOM 735 N GLY A 49 -8.970 5.435 5.060 1.00 0.00 N ATOM 736 CA GLY A 49 -8.408 6.772 5.099 1.00 0.00 C ATOM 737 C GLY A 49 -7.266 6.893 6.089 1.00 0.00 C ATOM 738 O GLY A 49 -7.406 7.530 7.134 1.00 0.00 O ATOM 0 H GLY A 49 -8.749 4.901 4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.053 7.042 4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.190 7.484 5.363 1.00 0.00 H new ATOM 742 N HIS A 50 -6.134 6.279 5.762 1.00 0.00 N ATOM 743 CA HIS A 50 -4.963 6.320 6.632 1.00 0.00 C ATOM 744 C HIS A 50 -3.685 6.477 5.814 1.00 0.00 C ATOM 745 O HIS A 50 -3.722 6.498 4.584 1.00 0.00 O ATOM 746 CB HIS A 50 -4.888 5.050 7.480 1.00 0.00 C ATOM 747 CG HIS A 50 -5.745 5.097 8.707 1.00 0.00 C ATOM 748 ND1 HIS A 50 -5.229 5.194 9.982 1.00 0.00 N ATOM 749 CD2 HIS A 50 -7.091 5.062 8.848 1.00 0.00 C ATOM 750 CE1 HIS A 50 -6.221 5.215 10.855 1.00 0.00 C ATOM 751 NE2 HIS A 50 -7.361 5.136 10.193 1.00 0.00 N ATOM 0 H HIS A 50 -6.002 5.747 4.902 1.00 0.00 H new ATOM 0 HA HIS A 50 -5.059 7.183 7.291 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.188 4.198 6.870 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.853 4.882 7.776 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -7.817 4.989 8.052 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -6.117 5.285 11.928 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.291 5.131 10.612 1.00 0.00 H new ATOM 759 N ILE A 51 -2.556 6.589 6.507 1.00 0.00 N ATOM 760 CA ILE A 51 -1.267 6.744 5.845 1.00 0.00 C ATOM 761 C ILE A 51 -0.475 5.441 5.871 1.00 0.00 C ATOM 762 O ILE A 51 -0.314 4.821 6.923 1.00 0.00 O ATOM 763 CB ILE A 51 -0.427 7.855 6.501 1.00 0.00 C ATOM 764 CG1 ILE A 51 -1.201 9.175 6.506 1.00 0.00 C ATOM 765 CG2 ILE A 51 0.900 8.016 5.775 1.00 0.00 C ATOM 766 CD1 ILE A 51 -1.525 9.690 5.121 1.00 0.00 C ATOM 0 H ILE A 51 -2.508 6.575 7.526 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.475 7.020 4.811 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.222 7.572 7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.129 9.041 7.061 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.618 9.927 7.037 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.482 8.805 6.251 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.455 7.079 5.819 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.715 8.279 4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.074 10.628 5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.600 9.857 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.135 8.957 4.594 1.00 0.00 H new ATOM 778 N PHE A 52 0.020 5.032 4.708 1.00 0.00 N ATOM 779 CA PHE A 52 0.796 3.802 4.597 1.00 0.00 C ATOM 780 C PHE A 52 1.871 3.933 3.522 1.00 0.00 C ATOM 781 O PHE A 52 1.891 4.902 2.762 1.00 0.00 O ATOM 782 CB PHE A 52 -0.122 2.621 4.275 1.00 0.00 C ATOM 783 CG PHE A 52 -0.999 2.213 5.424 1.00 0.00 C ATOM 784 CD1 PHE A 52 -0.476 1.505 6.494 1.00 0.00 C ATOM 785 CD2 PHE A 52 -2.346 2.538 5.434 1.00 0.00 C ATOM 786 CE1 PHE A 52 -1.280 1.128 7.553 1.00 0.00 C ATOM 787 CE2 PHE A 52 -3.155 2.164 6.490 1.00 0.00 C ATOM 788 CZ PHE A 52 -2.622 1.457 7.551 1.00 0.00 C ATOM 0 H PHE A 52 -0.102 5.534 3.829 1.00 0.00 H new ATOM 0 HA PHE A 52 1.284 3.622 5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.750 2.881 3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.487 1.769 3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.572 1.245 6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.768 3.090 4.607 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.860 0.577 8.381 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.203 2.424 6.486 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.253 1.162 8.377 1.00 0.00 H new ATOM 798 N CYS A 53 2.764 2.951 3.464 1.00 0.00 N ATOM 799 CA CYS A 53 3.844 2.955 2.484 1.00 0.00 C ATOM 800 C CYS A 53 3.466 2.131 1.256 1.00 0.00 C ATOM 801 O CYS A 53 2.451 1.437 1.250 1.00 0.00 O ATOM 802 CB CYS A 53 5.128 2.403 3.107 1.00 0.00 C ATOM 803 SG CYS A 53 5.055 0.629 3.513 1.00 0.00 S ATOM 0 H CYS A 53 2.761 2.142 4.085 1.00 0.00 H new ATOM 0 HA CYS A 53 4.014 3.985 2.171 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.956 2.573 2.418 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.349 2.964 4.015 1.00 0.00 H new ATOM 808 N ASN A 54 4.293 2.213 0.219 1.00 0.00 N ATOM 809 CA ASN A 54 4.046 1.476 -1.015 1.00 0.00 C ATOM 810 C ASN A 54 3.871 -0.013 -0.733 1.00 0.00 C ATOM 811 O ASN A 54 2.906 -0.633 -1.183 1.00 0.00 O ATOM 812 CB ASN A 54 5.198 1.688 -2.000 1.00 0.00 C ATOM 813 CG ASN A 54 4.887 1.143 -3.380 1.00 0.00 C ATOM 814 OD1 ASN A 54 3.822 1.407 -3.939 1.00 0.00 O ATOM 815 ND2 ASN A 54 5.818 0.376 -3.937 1.00 0.00 N ATOM 0 H ASN A 54 5.139 2.782 0.208 1.00 0.00 H new ATOM 0 HA ASN A 54 3.125 1.855 -1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.418 2.753 -2.074 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.095 1.204 -1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.665 -0.020 -4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.686 0.183 -3.437 1.00 0.00 H new ATOM 822 N THR A 55 4.811 -0.583 0.015 1.00 0.00 N ATOM 823 CA THR A 55 4.761 -1.999 0.357 1.00 0.00 C ATOM 824 C THR A 55 3.461 -2.347 1.072 1.00 0.00 C ATOM 825 O THR A 55 3.008 -3.491 1.036 1.00 0.00 O ATOM 826 CB THR A 55 5.950 -2.403 1.250 1.00 0.00 C ATOM 827 OG1 THR A 55 7.131 -1.705 0.839 1.00 0.00 O ATOM 828 CG2 THR A 55 6.192 -3.903 1.182 1.00 0.00 C ATOM 0 H THR A 55 5.616 -0.085 0.395 1.00 0.00 H new ATOM 0 HA THR A 55 4.815 -2.553 -0.580 1.00 0.00 H new ATOM 0 HB THR A 55 5.710 -2.136 2.279 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.882 -1.966 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.036 -4.165 1.820 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.302 -4.431 1.523 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.412 -4.190 0.154 1.00 0.00 H new ATOM 836 N CYS A 56 2.865 -1.353 1.722 1.00 0.00 N ATOM 837 CA CYS A 56 1.615 -1.553 2.446 1.00 0.00 C ATOM 838 C CYS A 56 0.415 -1.357 1.525 1.00 0.00 C ATOM 839 O CYS A 56 -0.607 -2.027 1.669 1.00 0.00 O ATOM 840 CB CYS A 56 1.527 -0.587 3.630 1.00 0.00 C ATOM 841 SG CYS A 56 2.372 -1.174 5.133 1.00 0.00 S ATOM 0 H CYS A 56 3.228 -0.400 1.762 1.00 0.00 H new ATOM 0 HA CYS A 56 1.600 -2.577 2.819 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.955 0.371 3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.477 -0.409 3.862 1.00 0.00 H new ATOM 846 N SER A 57 0.547 -0.433 0.578 1.00 0.00 N ATOM 847 CA SER A 57 -0.527 -0.146 -0.365 1.00 0.00 C ATOM 848 C SER A 57 -0.311 -0.891 -1.678 1.00 0.00 C ATOM 849 O SER A 57 -0.383 -0.303 -2.757 1.00 0.00 O ATOM 850 CB SER A 57 -0.615 1.359 -0.627 1.00 0.00 C ATOM 851 OG SER A 57 0.471 1.802 -1.423 1.00 0.00 O ATOM 0 H SER A 57 1.387 0.129 0.444 1.00 0.00 H new ATOM 0 HA SER A 57 -1.464 -0.486 0.075 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.555 1.590 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.618 1.897 0.321 1.00 0.00 H new ATOM 0 HG SER A 57 0.445 1.350 -2.292 1.00 0.00 H new ATOM 857 N SER A 58 -0.046 -2.190 -1.578 1.00 0.00 N ATOM 858 CA SER A 58 0.184 -3.016 -2.757 1.00 0.00 C ATOM 859 C SER A 58 -1.009 -3.929 -3.022 1.00 0.00 C ATOM 860 O SER A 58 -0.853 -5.043 -3.521 1.00 0.00 O ATOM 861 CB SER A 58 1.452 -3.854 -2.578 1.00 0.00 C ATOM 862 OG SER A 58 2.607 -3.033 -2.557 1.00 0.00 O ATOM 0 H SER A 58 0.015 -2.693 -0.693 1.00 0.00 H new ATOM 0 HA SER A 58 0.311 -2.355 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.389 -4.422 -1.650 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.531 -4.578 -3.389 1.00 0.00 H new ATOM 0 HG SER A 58 2.462 -2.281 -1.946 1.00 0.00 H new ATOM 868 N ASN A 59 -2.201 -3.448 -2.684 1.00 0.00 N ATOM 869 CA ASN A 59 -3.422 -4.220 -2.885 1.00 0.00 C ATOM 870 C ASN A 59 -4.537 -3.339 -3.439 1.00 0.00 C ATOM 871 O ASN A 59 -4.581 -2.138 -3.175 1.00 0.00 O ATOM 872 CB ASN A 59 -3.868 -4.860 -1.569 1.00 0.00 C ATOM 873 CG ASN A 59 -3.593 -3.970 -0.372 1.00 0.00 C ATOM 874 OD1 ASN A 59 -4.465 -3.225 0.075 1.00 0.00 O ATOM 875 ND2 ASN A 59 -2.376 -4.045 0.153 1.00 0.00 N ATOM 0 H ASN A 59 -2.347 -2.527 -2.270 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.210 -5.006 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.935 -5.080 -1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.352 -5.811 -1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.132 -3.471 0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.685 -4.677 -0.251 1.00 0.00 H new ATOM 882 N GLU A 60 -5.436 -3.945 -4.208 1.00 0.00 N ATOM 883 CA GLU A 60 -6.552 -3.216 -4.799 1.00 0.00 C ATOM 884 C GLU A 60 -7.848 -4.011 -4.676 1.00 0.00 C ATOM 885 O GLU A 60 -7.857 -5.233 -4.830 1.00 0.00 O ATOM 886 CB GLU A 60 -6.266 -2.908 -6.270 1.00 0.00 C ATOM 887 CG GLU A 60 -5.060 -2.008 -6.481 1.00 0.00 C ATOM 888 CD GLU A 60 -4.552 -2.039 -7.910 1.00 0.00 C ATOM 889 OE1 GLU A 60 -4.828 -3.031 -8.617 1.00 0.00 O ATOM 890 OE2 GLU A 60 -3.877 -1.072 -8.320 1.00 0.00 O ATOM 0 H GLU A 60 -5.413 -4.939 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.669 -2.279 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.107 -3.845 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.143 -2.434 -6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.324 -0.984 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.260 -2.315 -5.808 1.00 0.00 H new ATOM 897 N LEU A 61 -8.942 -3.309 -4.399 1.00 0.00 N ATOM 898 CA LEU A 61 -10.245 -3.948 -4.255 1.00 0.00 C ATOM 899 C LEU A 61 -11.359 -3.033 -4.753 1.00 0.00 C ATOM 900 O LEU A 61 -11.281 -1.813 -4.614 1.00 0.00 O ATOM 901 CB LEU A 61 -10.493 -4.323 -2.792 1.00 0.00 C ATOM 902 CG LEU A 61 -11.374 -5.549 -2.554 1.00 0.00 C ATOM 903 CD1 LEU A 61 -10.702 -6.803 -3.090 1.00 0.00 C ATOM 904 CD2 LEU A 61 -11.686 -5.702 -1.072 1.00 0.00 C ATOM 0 H LEU A 61 -8.952 -2.297 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 61 -10.246 -4.854 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.529 -4.495 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.950 -3.469 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.312 -5.407 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.345 -7.665 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.530 -6.694 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.748 -6.950 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.314 -6.580 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.757 -5.821 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.211 -4.815 -0.717 1.00 0.00 H new ATOM 916 N ALA A 62 -12.395 -3.631 -5.332 1.00 0.00 N ATOM 917 CA ALA A 62 -13.526 -2.870 -5.847 1.00 0.00 C ATOM 918 C ALA A 62 -14.516 -2.538 -4.735 1.00 0.00 C ATOM 919 O ALA A 62 -15.275 -3.399 -4.288 1.00 0.00 O ATOM 920 CB ALA A 62 -14.219 -3.641 -6.960 1.00 0.00 C ATOM 0 H ALA A 62 -12.474 -4.640 -5.456 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.146 -1.932 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.062 -3.060 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.514 -3.822 -7.771 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.579 -4.594 -6.573 1.00 0.00 H new ATOM 926 N LEU A 63 -14.503 -1.286 -4.292 1.00 0.00 N ATOM 927 CA LEU A 63 -15.400 -0.840 -3.231 1.00 0.00 C ATOM 928 C LEU A 63 -16.703 -0.299 -3.811 1.00 0.00 C ATOM 929 O LEU A 63 -16.779 0.086 -4.978 1.00 0.00 O ATOM 930 CB LEU A 63 -14.721 0.236 -2.381 1.00 0.00 C ATOM 931 CG LEU A 63 -13.791 -0.269 -1.278 1.00 0.00 C ATOM 932 CD1 LEU A 63 -13.058 0.893 -0.625 1.00 0.00 C ATOM 933 CD2 LEU A 63 -14.574 -1.059 -0.239 1.00 0.00 C ATOM 0 H LEU A 63 -13.881 -0.561 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.633 -1.699 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.148 0.886 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.495 0.851 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.052 -0.932 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.401 0.515 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.465 1.417 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.782 1.581 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.895 -1.410 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -15.336 -0.419 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -15.052 -1.914 -0.717 1.00 0.00 H new ATOM 945 N PRO A 64 -17.753 -0.267 -2.978 1.00 0.00 N ATOM 946 CA PRO A 64 -19.072 0.228 -3.385 1.00 0.00 C ATOM 947 C PRO A 64 -19.081 1.736 -3.612 1.00 0.00 C ATOM 948 O PRO A 64 -19.998 2.275 -4.230 1.00 0.00 O ATOM 949 CB PRO A 64 -19.970 -0.140 -2.201 1.00 0.00 C ATOM 950 CG PRO A 64 -19.047 -0.213 -1.034 1.00 0.00 C ATOM 951 CD PRO A 64 -17.735 -0.710 -1.574 1.00 0.00 C ATOM 0 HA PRO A 64 -19.394 -0.204 -4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -20.747 0.609 -2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -20.474 -1.092 -2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -18.931 0.765 -0.566 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.435 -0.887 -0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -16.891 -0.287 -1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.653 -1.794 -1.496 1.00 0.00 H new ATOM 959 N SER A 65 -18.053 2.411 -3.107 1.00 0.00 N ATOM 960 CA SER A 65 -17.945 3.858 -3.252 1.00 0.00 C ATOM 961 C SER A 65 -17.480 4.230 -4.657 1.00 0.00 C ATOM 962 O SER A 65 -18.095 5.061 -5.326 1.00 0.00 O ATOM 963 CB SER A 65 -16.973 4.424 -2.215 1.00 0.00 C ATOM 964 OG SER A 65 -17.577 5.463 -1.463 1.00 0.00 O ATOM 0 H SER A 65 -17.284 1.979 -2.594 1.00 0.00 H new ATOM 0 HA SER A 65 -18.932 4.290 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.647 3.628 -1.545 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.083 4.804 -2.716 1.00 0.00 H new ATOM 0 HG SER A 65 -16.936 5.807 -0.806 1.00 0.00 H new ATOM 970 N TYR A 66 -16.391 3.610 -5.097 1.00 0.00 N ATOM 971 CA TYR A 66 -15.841 3.877 -6.420 1.00 0.00 C ATOM 972 C TYR A 66 -16.270 2.802 -7.415 1.00 0.00 C ATOM 973 O TYR A 66 -16.561 1.663 -7.050 1.00 0.00 O ATOM 974 CB TYR A 66 -14.315 3.949 -6.357 1.00 0.00 C ATOM 975 CG TYR A 66 -13.797 5.032 -5.437 1.00 0.00 C ATOM 976 CD1 TYR A 66 -13.619 6.332 -5.894 1.00 0.00 C ATOM 977 CD2 TYR A 66 -13.486 4.755 -4.112 1.00 0.00 C ATOM 978 CE1 TYR A 66 -13.146 7.325 -5.058 1.00 0.00 C ATOM 979 CE2 TYR A 66 -13.013 5.742 -3.268 1.00 0.00 C ATOM 980 CZ TYR A 66 -12.845 7.025 -3.746 1.00 0.00 C ATOM 981 OH TYR A 66 -12.374 8.010 -2.909 1.00 0.00 O ATOM 0 H TYR A 66 -15.871 2.919 -4.556 1.00 0.00 H new ATOM 0 HA TYR A 66 -16.229 4.837 -6.759 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.928 2.986 -6.025 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.926 4.120 -7.361 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -13.855 6.570 -6.921 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.616 3.751 -3.735 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -13.013 8.330 -5.430 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.776 5.510 -2.240 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.212 7.633 -2.019 1.00 0.00 H new ATOM 991 N PRO A 67 -16.310 3.172 -8.704 1.00 0.00 N ATOM 992 CA PRO A 67 -16.700 2.256 -9.779 1.00 0.00 C ATOM 993 C PRO A 67 -15.658 1.169 -10.021 1.00 0.00 C ATOM 994 O PRO A 67 -15.998 0.006 -10.238 1.00 0.00 O ATOM 995 CB PRO A 67 -16.814 3.170 -11.001 1.00 0.00 C ATOM 996 CG PRO A 67 -15.913 4.318 -10.700 1.00 0.00 C ATOM 997 CD PRO A 67 -15.976 4.514 -9.210 1.00 0.00 C ATOM 0 HA PRO A 67 -17.620 1.720 -9.544 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -16.508 2.654 -11.911 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -17.841 3.502 -11.153 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -14.893 4.109 -11.023 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.236 5.216 -11.226 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.026 4.869 -8.811 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.733 5.248 -8.933 1.00 0.00 H new ATOM 1005 N LYS A 68 -14.388 1.556 -9.983 1.00 0.00 N ATOM 1006 CA LYS A 68 -13.294 0.615 -10.196 1.00 0.00 C ATOM 1007 C LYS A 68 -12.475 0.434 -8.923 1.00 0.00 C ATOM 1008 O LYS A 68 -12.471 1.285 -8.033 1.00 0.00 O ATOM 1009 CB LYS A 68 -12.391 1.100 -11.332 1.00 0.00 C ATOM 1010 CG LYS A 68 -12.115 2.594 -11.294 1.00 0.00 C ATOM 1011 CD LYS A 68 -10.725 2.918 -11.815 1.00 0.00 C ATOM 1012 CE LYS A 68 -10.088 4.056 -11.032 1.00 0.00 C ATOM 1013 NZ LYS A 68 -8.757 4.432 -11.584 1.00 0.00 N ATOM 0 H LYS A 68 -14.090 2.515 -9.807 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.725 -0.348 -10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.444 0.563 -11.287 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.855 0.849 -12.286 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.860 3.118 -11.893 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.215 2.957 -10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.094 2.031 -11.748 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.784 3.189 -12.869 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.747 4.924 -11.051 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.978 3.762 -9.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.356 5.211 -11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.120 3.611 -11.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.865 4.737 -12.572 1.00 0.00 H new ATOM 1027 N PRO A 69 -11.763 -0.699 -8.832 1.00 0.00 N ATOM 1028 CA PRO A 69 -10.925 -1.016 -7.671 1.00 0.00 C ATOM 1029 C PRO A 69 -9.694 -0.120 -7.583 1.00 0.00 C ATOM 1030 O PRO A 69 -8.870 -0.088 -8.497 1.00 0.00 O ATOM 1031 CB PRO A 69 -10.511 -2.469 -7.919 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.592 -2.639 -9.397 1.00 0.00 C ATOM 1033 CD PRO A 69 -11.720 -1.757 -9.854 1.00 0.00 C ATOM 0 HA PRO A 69 -11.456 -0.864 -6.731 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.502 -2.661 -7.553 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.175 -3.163 -7.404 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.655 -2.353 -9.875 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.779 -3.680 -9.660 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.533 -1.349 -10.847 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.662 -2.304 -9.906 1.00 0.00 H new ATOM 1041 N VAL A 70 -9.575 0.608 -6.476 1.00 0.00 N ATOM 1042 CA VAL A 70 -8.444 1.504 -6.268 1.00 0.00 C ATOM 1043 C VAL A 70 -7.406 0.872 -5.348 1.00 0.00 C ATOM 1044 O VAL A 70 -7.560 -0.269 -4.911 1.00 0.00 O ATOM 1045 CB VAL A 70 -8.896 2.848 -5.668 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -9.679 3.654 -6.693 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -9.724 2.619 -4.412 1.00 0.00 C ATOM 0 H VAL A 70 -10.248 0.594 -5.710 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.997 1.684 -7.246 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.010 3.419 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.990 4.601 -6.251 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.049 3.849 -7.561 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.560 3.091 -7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.035 3.579 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.606 2.028 -4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.125 2.085 -3.674 1.00 0.00 H new ATOM 1057 N ARG A 71 -6.348 1.622 -5.057 1.00 0.00 N ATOM 1058 CA ARG A 71 -5.282 1.136 -4.188 1.00 0.00 C ATOM 1059 C ARG A 71 -5.675 1.269 -2.720 1.00 0.00 C ATOM 1060 O ARG A 71 -6.002 2.359 -2.250 1.00 0.00 O ATOM 1061 CB ARG A 71 -3.987 1.906 -4.453 1.00 0.00 C ATOM 1062 CG ARG A 71 -2.731 1.109 -4.144 1.00 0.00 C ATOM 1063 CD ARG A 71 -1.492 1.779 -4.718 1.00 0.00 C ATOM 1064 NE ARG A 71 -0.645 0.835 -5.443 1.00 0.00 N ATOM 1065 CZ ARG A 71 0.360 1.203 -6.229 1.00 0.00 C ATOM 1066 NH1 ARG A 71 0.644 2.488 -6.390 1.00 0.00 N ATOM 1067 NH2 ARG A 71 1.085 0.285 -6.855 1.00 0.00 N ATOM 0 H ARG A 71 -6.206 2.568 -5.410 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.120 0.081 -4.409 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.964 2.213 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.986 2.816 -3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.622 1.003 -3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.826 0.104 -4.555 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.793 2.584 -5.388 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.919 2.234 -3.910 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.836 -0.162 -5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.090 3.197 -5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.417 2.768 -6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.871 -0.705 -6.733 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.857 0.569 -7.459 1.00 0.00 H new ATOM 1081 N VAL A 72 -5.640 0.152 -2.000 1.00 0.00 N ATOM 1082 CA VAL A 72 -5.991 0.143 -0.584 1.00 0.00 C ATOM 1083 C VAL A 72 -4.835 -0.371 0.266 1.00 0.00 C ATOM 1084 O VAL A 72 -3.778 -0.730 -0.255 1.00 0.00 O ATOM 1085 CB VAL A 72 -7.234 -0.726 -0.320 1.00 0.00 C ATOM 1086 CG1 VAL A 72 -8.486 -0.042 -0.848 1.00 0.00 C ATOM 1087 CG2 VAL A 72 -7.065 -2.102 -0.945 1.00 0.00 C ATOM 0 H VAL A 72 -5.372 -0.758 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.212 1.174 -0.306 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.345 -0.853 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.354 -0.671 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.614 0.918 -0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.388 0.117 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.953 -2.703 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.928 -1.998 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.192 -2.593 -0.514 1.00 0.00 H new ATOM 1097 N CYS A 73 -5.042 -0.406 1.578 1.00 0.00 N ATOM 1098 CA CYS A 73 -4.017 -0.877 2.502 1.00 0.00 C ATOM 1099 C CYS A 73 -4.278 -2.323 2.912 1.00 0.00 C ATOM 1100 O CYS A 73 -5.411 -2.802 2.849 1.00 0.00 O ATOM 1101 CB CYS A 73 -3.971 0.017 3.743 1.00 0.00 C ATOM 1102 SG CYS A 73 -5.394 -0.190 4.862 1.00 0.00 S ATOM 0 H CYS A 73 -5.911 -0.114 2.026 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.054 -0.831 1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.055 -0.193 4.295 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.920 1.059 3.426 1.00 0.00 H new ATOM 1107 N ASP A 74 -3.224 -3.012 3.333 1.00 0.00 N ATOM 1108 CA ASP A 74 -3.338 -4.403 3.755 1.00 0.00 C ATOM 1109 C ASP A 74 -4.408 -4.558 4.832 1.00 0.00 C ATOM 1110 O ASP A 74 -5.131 -5.554 4.864 1.00 0.00 O ATOM 1111 CB ASP A 74 -1.994 -4.912 4.278 1.00 0.00 C ATOM 1112 CG ASP A 74 -1.467 -6.086 3.475 1.00 0.00 C ATOM 1113 OD1 ASP A 74 -2.188 -7.099 3.364 1.00 0.00 O ATOM 1114 OD2 ASP A 74 -0.334 -5.991 2.958 1.00 0.00 O ATOM 0 H ASP A 74 -2.280 -2.630 3.391 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.630 -4.997 2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.266 -4.101 4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.102 -5.208 5.321 1.00 0.00 H new ATOM 1119 N SER A 75 -4.501 -3.567 5.713 1.00 0.00 N ATOM 1120 CA SER A 75 -5.479 -3.595 6.794 1.00 0.00 C ATOM 1121 C SER A 75 -6.899 -3.665 6.241 1.00 0.00 C ATOM 1122 O SER A 75 -7.811 -4.165 6.900 1.00 0.00 O ATOM 1123 CB SER A 75 -5.326 -2.359 7.682 1.00 0.00 C ATOM 1124 OG SER A 75 -5.128 -2.724 9.036 1.00 0.00 O ATOM 0 H SER A 75 -3.911 -2.735 5.699 1.00 0.00 H new ATOM 0 HA SER A 75 -5.296 -4.488 7.392 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.482 -1.762 7.336 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.215 -1.734 7.597 1.00 0.00 H new ATOM 0 HG SER A 75 -5.031 -1.916 9.582 1.00 0.00 H new ATOM 1130 N CYS A 76 -7.079 -3.160 5.025 1.00 0.00 N ATOM 1131 CA CYS A 76 -8.387 -3.164 4.381 1.00 0.00 C ATOM 1132 C CYS A 76 -8.544 -4.382 3.476 1.00 0.00 C ATOM 1133 O CYS A 76 -9.553 -5.087 3.535 1.00 0.00 O ATOM 1134 CB CYS A 76 -8.581 -1.882 3.567 1.00 0.00 C ATOM 1135 SG CYS A 76 -9.033 -0.428 4.568 1.00 0.00 S ATOM 0 H CYS A 76 -6.335 -2.743 4.466 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.148 -3.212 5.160 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.660 -1.665 3.025 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.357 -2.052 2.821 1.00 0.00 H new ATOM 1140 N HIS A 77 -7.541 -4.624 2.639 1.00 0.00 N ATOM 1141 CA HIS A 77 -7.567 -5.758 1.722 1.00 0.00 C ATOM 1142 C HIS A 77 -7.866 -7.055 2.469 1.00 0.00 C ATOM 1143 O HIS A 77 -8.770 -7.804 2.097 1.00 0.00 O ATOM 1144 CB HIS A 77 -6.232 -5.877 0.985 1.00 0.00 C ATOM 1145 CG HIS A 77 -6.263 -6.844 -0.158 1.00 0.00 C ATOM 1146 ND1 HIS A 77 -5.408 -7.922 -0.255 1.00 0.00 N ATOM 1147 CD2 HIS A 77 -7.052 -6.892 -1.256 1.00 0.00 C ATOM 1148 CE1 HIS A 77 -5.670 -8.590 -1.364 1.00 0.00 C ATOM 1149 NE2 HIS A 77 -6.664 -7.986 -1.990 1.00 0.00 N ATOM 0 H HIS A 77 -6.700 -4.050 2.576 1.00 0.00 H new ATOM 0 HA HIS A 77 -8.361 -5.586 0.995 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.944 -4.894 0.611 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.463 -6.187 1.692 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.841 -6.199 -1.508 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.158 -9.479 -1.702 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.076 -8.284 -2.874 1.00 0.00 H new ATOM 1157 N THR A 78 -7.100 -7.314 3.524 1.00 0.00 N ATOM 1158 CA THR A 78 -7.281 -8.520 4.322 1.00 0.00 C ATOM 1159 C THR A 78 -8.623 -8.505 5.044 1.00 0.00 C ATOM 1160 O THR A 78 -9.364 -9.489 5.019 1.00 0.00 O ATOM 1161 CB THR A 78 -6.154 -8.681 5.360 1.00 0.00 C ATOM 1162 OG1 THR A 78 -4.879 -8.525 4.728 1.00 0.00 O ATOM 1163 CG2 THR A 78 -6.229 -10.044 6.033 1.00 0.00 C ATOM 0 H THR A 78 -6.348 -6.704 3.846 1.00 0.00 H new ATOM 0 HA THR A 78 -7.252 -9.363 3.632 1.00 0.00 H new ATOM 0 HB THR A 78 -6.278 -7.910 6.121 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.677 -7.571 4.630 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.424 -10.135 6.762 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.189 -10.148 6.539 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.128 -10.827 5.281 1.00 0.00 H new ATOM 1171 N LEU A 79 -8.932 -7.384 5.686 1.00 0.00 N ATOM 1172 CA LEU A 79 -10.187 -7.241 6.415 1.00 0.00 C ATOM 1173 C LEU A 79 -11.378 -7.572 5.521 1.00 0.00 C ATOM 1174 O LEU A 79 -12.171 -8.462 5.830 1.00 0.00 O ATOM 1175 CB LEU A 79 -10.324 -5.818 6.959 1.00 0.00 C ATOM 1176 CG LEU A 79 -11.695 -5.445 7.526 1.00 0.00 C ATOM 1177 CD1 LEU A 79 -12.043 -6.335 8.709 1.00 0.00 C ATOM 1178 CD2 LEU A 79 -11.723 -3.979 7.933 1.00 0.00 C ATOM 0 H LEU A 79 -8.331 -6.561 5.717 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.176 -7.943 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -9.579 -5.676 7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.082 -5.119 6.158 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.443 -5.600 6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.021 -6.055 9.099 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -12.065 -7.376 8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.292 -6.212 9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -12.706 -3.731 8.334 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.964 -3.798 8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.519 -3.356 7.062 1.00 0.00 H new ATOM 1190 N LEU A 80 -11.494 -6.853 4.410 1.00 0.00 N ATOM 1191 CA LEU A 80 -12.587 -7.072 3.468 1.00 0.00 C ATOM 1192 C LEU A 80 -12.628 -8.527 3.011 1.00 0.00 C ATOM 1193 O LEU A 80 -13.686 -9.158 3.006 1.00 0.00 O ATOM 1194 CB LEU A 80 -12.435 -6.149 2.258 1.00 0.00 C ATOM 1195 CG LEU A 80 -12.436 -4.649 2.553 1.00 0.00 C ATOM 1196 CD1 LEU A 80 -11.478 -3.921 1.623 1.00 0.00 C ATOM 1197 CD2 LEU A 80 -13.842 -4.081 2.425 1.00 0.00 C ATOM 0 H LEU A 80 -10.845 -6.114 4.139 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.524 -6.844 3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.503 -6.398 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.245 -6.362 1.560 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.098 -4.500 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.492 -2.855 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.469 -4.308 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.785 -4.078 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.823 -3.012 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.209 -4.242 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.502 -4.581 3.133 1.00 0.00 H new ATOM 1209 N LEU A 81 -11.470 -9.054 2.629 1.00 0.00 N ATOM 1210 CA LEU A 81 -11.373 -10.436 2.172 1.00 0.00 C ATOM 1211 C LEU A 81 -11.846 -11.402 3.253 1.00 0.00 C ATOM 1212 O LEU A 81 -12.449 -12.433 2.957 1.00 0.00 O ATOM 1213 CB LEU A 81 -9.932 -10.763 1.775 1.00 0.00 C ATOM 1214 CG LEU A 81 -9.473 -10.231 0.417 1.00 0.00 C ATOM 1215 CD1 LEU A 81 -7.966 -10.024 0.406 1.00 0.00 C ATOM 1216 CD2 LEU A 81 -9.891 -11.180 -0.697 1.00 0.00 C ATOM 0 H LEU A 81 -10.586 -8.546 2.627 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.018 -10.550 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.266 -10.367 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.812 -11.846 1.778 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.953 -9.267 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.658 -9.645 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.692 -9.305 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.467 -10.973 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.556 -10.785 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.440 -12.158 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.977 -11.277 -0.704 1.00 0.00 H new ATOM 1228 N GLN A 82 -11.569 -11.059 4.507 1.00 0.00 N ATOM 1229 CA GLN A 82 -11.968 -11.896 5.633 1.00 0.00 C ATOM 1230 C GLN A 82 -13.143 -11.276 6.383 1.00 0.00 C ATOM 1231 O GLN A 82 -13.291 -11.466 7.590 1.00 0.00 O ATOM 1232 CB GLN A 82 -10.790 -12.100 6.587 1.00 0.00 C ATOM 1233 CG GLN A 82 -10.458 -10.870 7.416 1.00 0.00 C ATOM 1234 CD GLN A 82 -10.694 -11.084 8.898 1.00 0.00 C ATOM 1235 OE1 GLN A 82 -10.428 -12.161 9.431 1.00 0.00 O ATOM 1236 NE2 GLN A 82 -11.196 -10.056 9.572 1.00 0.00 N ATOM 0 H GLN A 82 -11.071 -10.208 4.769 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.281 -12.864 5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -11.016 -12.929 7.257 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.911 -12.387 6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.415 -10.598 7.254 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.063 -10.031 7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.402 -9.181 9.089 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.376 -10.141 10.572 1.00 0.00 H new ATOM 1245 N ARG A 83 -13.975 -10.535 5.659 1.00 0.00 N ATOM 1246 CA ARG A 83 -15.136 -9.886 6.256 1.00 0.00 C ATOM 1247 C ARG A 83 -16.317 -10.849 6.334 1.00 0.00 C ATOM 1248 O ARG A 83 -17.029 -11.053 5.350 1.00 0.00 O ATOM 1249 CB ARG A 83 -15.526 -8.647 5.448 1.00 0.00 C ATOM 1250 CG ARG A 83 -16.586 -7.790 6.121 1.00 0.00 C ATOM 1251 CD ARG A 83 -16.198 -6.319 6.116 1.00 0.00 C ATOM 1252 NE ARG A 83 -17.332 -5.454 6.431 1.00 0.00 N ATOM 1253 CZ ARG A 83 -17.232 -4.137 6.579 1.00 0.00 C ATOM 1254 NH1 ARG A 83 -16.057 -3.538 6.442 1.00 0.00 N ATOM 1255 NH2 ARG A 83 -18.309 -3.417 6.865 1.00 0.00 N ATOM 0 H ARG A 83 -13.867 -10.369 4.658 1.00 0.00 H new ATOM 0 HA ARG A 83 -14.870 -9.582 7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.636 -8.041 5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -15.892 -8.961 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -17.539 -7.918 5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.729 -8.126 7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.402 -6.151 6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.799 -6.052 5.137 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.250 -5.884 6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.227 -4.088 6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.984 -2.527 6.556 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -19.215 -3.874 6.971 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.231 -2.406 6.978 1.00 0.00 H new ATOM 1269 N CYS A 84 -16.519 -11.436 7.508 1.00 0.00 N ATOM 1270 CA CYS A 84 -17.613 -12.379 7.713 1.00 0.00 C ATOM 1271 C CYS A 84 -18.599 -11.849 8.748 1.00 0.00 C ATOM 1272 O CYS A 84 -18.520 -12.190 9.928 1.00 0.00 O ATOM 1273 CB CYS A 84 -17.067 -13.736 8.159 1.00 0.00 C ATOM 1274 SG CYS A 84 -16.448 -14.763 6.806 1.00 0.00 S ATOM 0 H CYS A 84 -15.940 -11.276 8.332 1.00 0.00 H new ATOM 0 HA CYS A 84 -18.138 -12.501 6.766 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -16.262 -13.574 8.876 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -17.855 -14.279 8.682 1.00 0.00 H new ATOM 0 HG CYS A 84 -16.006 -15.889 7.283 1.00 0.00 H new ATOM 1280 N SER A 85 -19.528 -11.011 8.298 1.00 0.00 N ATOM 1281 CA SER A 85 -20.528 -10.429 9.187 1.00 0.00 C ATOM 1282 C SER A 85 -21.653 -9.780 8.387 1.00 0.00 C ATOM 1283 O SER A 85 -22.282 -8.825 8.843 1.00 0.00 O ATOM 1284 CB SER A 85 -19.880 -9.395 10.110 1.00 0.00 C ATOM 1285 OG SER A 85 -20.731 -9.078 11.197 1.00 0.00 O ATOM 0 H SER A 85 -19.609 -10.720 7.324 1.00 0.00 H new ATOM 0 HA SER A 85 -20.952 -11.230 9.792 1.00 0.00 H new ATOM 0 HB2 SER A 85 -18.933 -9.782 10.486 1.00 0.00 H new ATOM 0 HB3 SER A 85 -19.653 -8.490 9.546 1.00 0.00 H new ATOM 0 HG SER A 85 -21.648 -8.964 10.872 1.00 0.00 H new ATOM 1291 N SER A 86 -21.900 -10.305 7.191 1.00 0.00 N ATOM 1292 CA SER A 86 -22.947 -9.775 6.325 1.00 0.00 C ATOM 1293 C SER A 86 -24.047 -10.809 6.107 1.00 0.00 C ATOM 1294 O SER A 86 -23.939 -11.675 5.237 1.00 0.00 O ATOM 1295 CB SER A 86 -22.357 -9.349 4.979 1.00 0.00 C ATOM 1296 OG SER A 86 -21.330 -10.235 4.569 1.00 0.00 O ATOM 0 H SER A 86 -21.390 -11.097 6.800 1.00 0.00 H new ATOM 0 HA SER A 86 -23.383 -8.904 6.814 1.00 0.00 H new ATOM 0 HB2 SER A 86 -23.144 -9.325 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 86 -21.959 -8.337 5.057 1.00 0.00 H new ATOM 0 HG SER A 86 -20.971 -9.942 3.706 1.00 0.00 H new ATOM 1302 N THR A 87 -25.107 -10.714 6.904 1.00 0.00 N ATOM 1303 CA THR A 87 -26.227 -11.641 6.800 1.00 0.00 C ATOM 1304 C THR A 87 -27.550 -10.938 7.084 1.00 0.00 C ATOM 1305 O THR A 87 -28.519 -11.096 6.342 1.00 0.00 O ATOM 1306 CB THR A 87 -26.068 -12.825 7.772 1.00 0.00 C ATOM 1307 OG1 THR A 87 -24.686 -13.011 8.096 1.00 0.00 O ATOM 1308 CG2 THR A 87 -26.629 -14.102 7.166 1.00 0.00 C ATOM 0 H THR A 87 -25.213 -10.004 7.629 1.00 0.00 H new ATOM 0 HA THR A 87 -26.232 -12.019 5.778 1.00 0.00 H new ATOM 0 HB THR A 87 -26.626 -12.598 8.680 1.00 0.00 H new ATOM 0 HG1 THR A 87 -24.594 -13.765 8.716 1.00 0.00 H new ATOM 0 HG21 THR A 87 -26.505 -14.924 7.871 1.00 0.00 H new ATOM 0 HG22 THR A 87 -27.688 -13.967 6.949 1.00 0.00 H new ATOM 0 HG23 THR A 87 -26.096 -14.332 6.243 1.00 0.00 H new ATOM 1316 N ALA A 88 -27.583 -10.162 8.162 1.00 0.00 N ATOM 1317 CA ALA A 88 -28.786 -9.433 8.542 1.00 0.00 C ATOM 1318 C ALA A 88 -29.121 -8.354 7.518 1.00 0.00 C ATOM 1319 O ALA A 88 -30.196 -8.366 6.918 1.00 0.00 O ATOM 1320 CB ALA A 88 -28.617 -8.818 9.923 1.00 0.00 C ATOM 0 H ALA A 88 -26.790 -10.022 8.788 1.00 0.00 H new ATOM 0 HA ALA A 88 -29.615 -10.140 8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -29.523 -8.277 10.194 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -28.434 -9.607 10.653 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -27.772 -8.129 9.914 1.00 0.00 H new ATOM 1326 N SER A 89 -28.194 -7.422 7.323 1.00 0.00 N ATOM 1327 CA SER A 89 -28.393 -6.333 6.374 1.00 0.00 C ATOM 1328 C SER A 89 -28.142 -6.804 4.945 1.00 0.00 C ATOM 1329 O SER A 89 -28.401 -7.967 4.639 1.00 0.00 O ATOM 1330 CB SER A 89 -27.466 -5.162 6.707 1.00 0.00 C ATOM 1331 OG SER A 89 -26.766 -5.394 7.917 1.00 0.00 O ATOM 0 H SER A 89 -27.298 -7.399 7.809 1.00 0.00 H new ATOM 0 HA SER A 89 -29.428 -6.001 6.452 1.00 0.00 H new ATOM 0 HB2 SER A 89 -26.755 -5.015 5.894 1.00 0.00 H new ATOM 0 HB3 SER A 89 -28.049 -4.245 6.791 1.00 0.00 H new ATOM 0 HG SER A 89 -26.179 -4.632 8.107 1.00 0.00 H new TER 1337 SER A 89 HETATM 1338 ZN ZN A 201 4.237 0.253 5.578 1.00 0.00 ZN HETATM 1339 ZN ZN A 401 -7.268 0.994 4.445 1.00 0.00 ZN