USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 649 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 69 CYS SG : rot 166:sc= -0.504 USER MOD Set 1.2: A 72 CYS SG : rot -118:sc= -0.452 USER MOD Set 1.3: A 82 ASN : amide:sc= -7.21! C(o=-8.6!,f=-10!) USER MOD Set 1.4: A 91 HIS : no HD1:sc= -0.16 K(o=-8.6,f=-14!) USER MOD Set 1.5: A 94 CYS SG : rot 170:sc= -0.295 USER MOD Set 2.1: A 36 CYS SG : rot 151:sc= -0.676 USER MOD Set 2.2: A 39 CYS SG : rot -54:sc= -0.382 USER MOD Set 2.3: A 57 CYS SG : rot -131:sc= 0.439 USER MOD Set 2.4: A 60 CYS SG : rot 87:sc= -1.39 USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= 0.00736 USER MOD Set 3.2: A 58 ASN : amide:sc=-0.00564 K(o=0.0017,f=-4.1!) USER MOD Set 4.1: A 8 CYS SG : rot 161:sc= -0.245 USER MOD Set 4.2: A 11 CYS SG : rot -95:sc= -2 USER MOD Set 4.3: A 30 HIS : no HD1:sc= -2.98! C(o=-7.4!,f=-13!) USER MOD Set 4.4: A 33 CYS SG : rot 59:sc= -2.19 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 4:sc= 0.865 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -0.717 X(o=-0.72,f=-0.29) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -26:sc= 0.137 USER MOD Single : A 38 LYS NZ :NH3+ -163:sc=-8.44e-05 (180deg=-0.138) USER MOD Single : A 41 HIS : no HD1:sc= -2.78! K(o=-2.8!,f=-1.2) USER MOD Single : A 45 ASN : amide:sc= -0.0714 X(o=-0.071,f=-0.54) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -10:sc= 0.293 USER MOD Single : A 68 LYS NZ :NH3+ -133:sc= 0.27 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0181 K(o=-0.018,f=-1.1) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.126) USER MOD Single : A 88 THR OG1 : rot 22:sc= 0.523 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.516 17.919 -12.493 1.00 0.00 N ATOM 60 CA GLY A 7 -5.032 17.318 -11.276 1.00 0.00 C ATOM 61 C GLY A 7 -4.684 15.847 -11.164 1.00 0.00 C ATOM 62 O GLY A 7 -3.850 15.339 -11.914 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.631 17.850 -10.413 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.115 17.435 -11.247 1.00 0.00 H new ATOM 66 N CYS A 8 -5.325 15.159 -10.224 1.00 0.00 N ATOM 67 CA CYS A 8 -5.078 13.738 -10.014 1.00 0.00 C ATOM 68 C CYS A 8 -6.305 12.912 -10.389 1.00 0.00 C ATOM 69 O CYS A 8 -7.442 13.346 -10.200 1.00 0.00 O ATOM 70 CB CYS A 8 -4.700 13.475 -8.555 1.00 0.00 C ATOM 71 SG CYS A 8 -3.974 11.831 -8.260 1.00 0.00 S ATOM 0 H CYS A 8 -6.019 15.563 -9.596 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.250 13.440 -10.657 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.991 14.237 -8.232 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.590 13.584 -7.935 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.330 11.837 -7.131 1.00 0.00 H new ATOM 76 N VAL A 9 -6.067 11.718 -10.922 1.00 0.00 N ATOM 77 CA VAL A 9 -7.152 10.830 -11.323 1.00 0.00 C ATOM 78 C VAL A 9 -7.479 9.829 -10.221 1.00 0.00 C ATOM 79 O VAL A 9 -8.456 9.086 -10.314 1.00 0.00 O ATOM 80 CB VAL A 9 -6.801 10.061 -12.611 1.00 0.00 C ATOM 81 CG1 VAL A 9 -6.302 11.016 -13.684 1.00 0.00 C ATOM 82 CG2 VAL A 9 -5.766 8.983 -12.322 1.00 0.00 C ATOM 0 H VAL A 9 -5.133 11.343 -11.086 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.023 11.459 -11.509 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.704 9.576 -12.982 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.059 10.455 -14.586 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.078 11.747 -13.910 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.411 11.531 -13.326 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.530 8.449 -13.243 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.861 9.444 -11.927 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.166 8.282 -11.589 1.00 0.00 H new ATOM 92 N GLU A 10 -6.656 9.817 -9.177 1.00 0.00 N ATOM 93 CA GLU A 10 -6.859 8.907 -8.056 1.00 0.00 C ATOM 94 C GLU A 10 -7.795 9.522 -7.019 1.00 0.00 C ATOM 95 O GLU A 10 -8.822 8.938 -6.669 1.00 0.00 O ATOM 96 CB GLU A 10 -5.519 8.557 -7.405 1.00 0.00 C ATOM 97 CG GLU A 10 -5.492 7.176 -6.772 1.00 0.00 C ATOM 98 CD GLU A 10 -6.536 7.013 -5.684 1.00 0.00 C ATOM 99 OE1 GLU A 10 -7.706 6.738 -6.020 1.00 0.00 O ATOM 100 OE2 GLU A 10 -6.181 7.160 -4.496 1.00 0.00 O ATOM 0 H GLU A 10 -5.843 10.426 -9.084 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.318 7.996 -8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.732 8.618 -8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.290 9.301 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.656 6.423 -7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.503 6.992 -6.352 1.00 0.00 H new ATOM 107 N CYS A 11 -7.433 10.703 -6.530 1.00 0.00 N ATOM 108 CA CYS A 11 -8.237 11.398 -5.532 1.00 0.00 C ATOM 109 C CYS A 11 -9.010 12.552 -6.164 1.00 0.00 C ATOM 110 O CYS A 11 -9.573 13.393 -5.463 1.00 0.00 O ATOM 111 CB CYS A 11 -7.347 11.923 -4.404 1.00 0.00 C ATOM 112 SG CYS A 11 -5.877 12.831 -4.979 1.00 0.00 S ATOM 0 H CYS A 11 -6.587 11.199 -6.809 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.953 10.687 -5.119 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.938 12.578 -3.764 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.024 11.083 -3.789 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.858 12.025 -5.021 1.00 0.00 H new ATOM 117 N ARG A 12 -9.033 12.584 -7.493 1.00 0.00 N ATOM 118 CA ARG A 12 -9.735 13.634 -8.219 1.00 0.00 C ATOM 119 C ARG A 12 -9.412 15.008 -7.638 1.00 0.00 C ATOM 120 O ARG A 12 -10.223 15.931 -7.709 1.00 0.00 O ATOM 121 CB ARG A 12 -11.245 13.393 -8.175 1.00 0.00 C ATOM 122 CG ARG A 12 -11.727 12.361 -9.183 1.00 0.00 C ATOM 123 CD ARG A 12 -11.497 10.944 -8.682 1.00 0.00 C ATOM 124 NE ARG A 12 -12.238 10.670 -7.454 1.00 0.00 N ATOM 125 CZ ARG A 12 -12.526 9.446 -7.027 1.00 0.00 C ATOM 126 NH1 ARG A 12 -12.135 8.388 -7.724 1.00 0.00 N ATOM 127 NH2 ARG A 12 -13.205 9.277 -5.899 1.00 0.00 N ATOM 0 H ARG A 12 -8.573 11.895 -8.088 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.400 13.609 -9.256 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.523 13.067 -7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.760 14.336 -8.358 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.789 12.511 -9.380 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.205 12.503 -10.129 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.797 10.234 -9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.432 10.791 -8.505 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.552 11.462 -6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.612 8.513 -8.590 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.358 7.449 -7.394 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.506 10.088 -5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.425 8.336 -5.572 1.00 0.00 H new ATOM 141 N LYS A 13 -8.222 15.135 -7.061 1.00 0.00 N ATOM 142 CA LYS A 13 -7.789 16.394 -6.467 1.00 0.00 C ATOM 143 C LYS A 13 -6.681 17.035 -7.297 1.00 0.00 C ATOM 144 O LYS A 13 -5.941 16.361 -8.014 1.00 0.00 O ATOM 145 CB LYS A 13 -7.302 16.166 -5.035 1.00 0.00 C ATOM 146 CG LYS A 13 -8.427 16.005 -4.028 1.00 0.00 C ATOM 147 CD LYS A 13 -8.009 16.475 -2.644 1.00 0.00 C ATOM 148 CE LYS A 13 -6.970 15.547 -2.031 1.00 0.00 C ATOM 149 NZ LYS A 13 -6.224 16.206 -0.924 1.00 0.00 N ATOM 0 H LYS A 13 -7.539 14.380 -6.992 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.643 17.071 -6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.674 15.275 -5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.675 17.006 -4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.297 16.573 -4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.728 14.959 -3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.604 17.485 -2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.884 16.523 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.461 14.650 -1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.269 15.227 -2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.526 15.542 -0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.735 17.048 -1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.890 16.489 -0.177 1.00 0.00 H new ATOM 163 N PRO A 14 -6.561 18.367 -7.197 1.00 0.00 N ATOM 164 CA PRO A 14 -5.543 19.127 -7.930 1.00 0.00 C ATOM 165 C PRO A 14 -4.135 18.862 -7.409 1.00 0.00 C ATOM 166 O PRO A 14 -3.927 18.709 -6.205 1.00 0.00 O ATOM 167 CB PRO A 14 -5.941 20.584 -7.680 1.00 0.00 C ATOM 168 CG PRO A 14 -6.693 20.556 -6.394 1.00 0.00 C ATOM 169 CD PRO A 14 -7.408 19.234 -6.361 1.00 0.00 C ATOM 0 HA PRO A 14 -5.511 18.854 -8.985 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.064 21.228 -7.612 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.558 20.971 -8.491 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.017 20.655 -5.545 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.400 21.384 -6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.496 18.850 -5.345 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.419 19.314 -6.760 1.00 0.00 H new ATOM 177 N ILE A 15 -3.171 18.810 -8.322 1.00 0.00 N ATOM 178 CA ILE A 15 -1.783 18.565 -7.953 1.00 0.00 C ATOM 179 C ILE A 15 -0.956 19.843 -8.048 1.00 0.00 C ATOM 180 O ILE A 15 -1.187 20.682 -8.917 1.00 0.00 O ATOM 181 CB ILE A 15 -1.144 17.487 -8.848 1.00 0.00 C ATOM 182 CG1 ILE A 15 -2.000 16.218 -8.845 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.270 17.179 -8.380 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.571 15.197 -9.876 1.00 0.00 C ATOM 0 H ILE A 15 -3.326 18.934 -9.322 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.788 18.213 -6.921 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.093 17.867 -9.868 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.957 15.763 -7.855 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.040 16.490 -9.026 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.708 16.415 -9.023 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.875 18.085 -8.429 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.242 16.816 -7.353 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.222 14.324 -9.817 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.641 15.634 -10.872 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.541 14.896 -9.683 1.00 0.00 H new ATOM 196 N GLY A 16 0.012 19.983 -7.147 1.00 0.00 N ATOM 197 CA GLY A 16 0.861 21.161 -7.146 1.00 0.00 C ATOM 198 C GLY A 16 2.144 20.950 -7.925 1.00 0.00 C ATOM 199 O GLY A 16 2.446 19.834 -8.347 1.00 0.00 O ATOM 0 H GLY A 16 0.224 19.302 -6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.313 22.000 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.104 21.430 -6.118 1.00 0.00 H new ATOM 203 N ALA A 17 2.900 22.026 -8.118 1.00 0.00 N ATOM 204 CA ALA A 17 4.158 21.954 -8.851 1.00 0.00 C ATOM 205 C ALA A 17 5.253 21.318 -8.001 1.00 0.00 C ATOM 206 O ALA A 17 5.950 20.408 -8.450 1.00 0.00 O ATOM 207 CB ALA A 17 4.582 23.342 -9.310 1.00 0.00 C ATOM 0 H ALA A 17 2.663 22.958 -7.777 1.00 0.00 H new ATOM 0 HA ALA A 17 4.004 21.325 -9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.523 23.273 -9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.814 23.760 -9.961 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.713 23.988 -8.442 1.00 0.00 H new ATOM 213 N ASP A 18 5.399 21.804 -6.774 1.00 0.00 N ATOM 214 CA ASP A 18 6.410 21.282 -5.861 1.00 0.00 C ATOM 215 C ASP A 18 6.236 19.781 -5.658 1.00 0.00 C ATOM 216 O ASP A 18 7.211 19.052 -5.475 1.00 0.00 O ATOM 217 CB ASP A 18 6.333 22.004 -4.514 1.00 0.00 C ATOM 218 CG ASP A 18 6.960 23.384 -4.560 1.00 0.00 C ATOM 219 OD1 ASP A 18 6.794 24.076 -5.585 1.00 0.00 O ATOM 220 OD2 ASP A 18 7.617 23.770 -3.570 1.00 0.00 O ATOM 0 H ASP A 18 4.831 22.558 -6.388 1.00 0.00 H new ATOM 0 HA ASP A 18 7.390 21.459 -6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.290 22.092 -4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.836 21.405 -3.755 1.00 0.00 H new ATOM 225 N SER A 19 4.988 19.325 -5.690 1.00 0.00 N ATOM 226 CA SER A 19 4.685 17.910 -5.505 1.00 0.00 C ATOM 227 C SER A 19 5.057 17.108 -6.748 1.00 0.00 C ATOM 228 O SER A 19 4.563 17.374 -7.844 1.00 0.00 O ATOM 229 CB SER A 19 3.201 17.722 -5.187 1.00 0.00 C ATOM 230 OG SER A 19 2.406 17.889 -6.348 1.00 0.00 O ATOM 0 H SER A 19 4.170 19.915 -5.842 1.00 0.00 H new ATOM 0 HA SER A 19 5.278 17.543 -4.667 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.038 16.728 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.895 18.440 -4.426 1.00 0.00 H new ATOM 0 HG SER A 19 2.987 18.024 -7.126 1.00 0.00 H new ATOM 236 N LYS A 20 5.931 16.124 -6.570 1.00 0.00 N ATOM 237 CA LYS A 20 6.370 15.280 -7.675 1.00 0.00 C ATOM 238 C LYS A 20 5.216 14.435 -8.206 1.00 0.00 C ATOM 239 O LYS A 20 4.813 13.456 -7.580 1.00 0.00 O ATOM 240 CB LYS A 20 7.516 14.371 -7.226 1.00 0.00 C ATOM 241 CG LYS A 20 8.885 15.019 -7.337 1.00 0.00 C ATOM 242 CD LYS A 20 9.409 14.976 -8.762 1.00 0.00 C ATOM 243 CE LYS A 20 10.320 16.158 -9.058 1.00 0.00 C ATOM 244 NZ LYS A 20 11.267 15.865 -10.168 1.00 0.00 N ATOM 0 H LYS A 20 6.350 15.891 -5.670 1.00 0.00 H new ATOM 0 HA LYS A 20 6.722 15.929 -8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.348 14.072 -6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.504 13.461 -7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.827 16.054 -7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.585 14.508 -6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.955 14.046 -8.922 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.571 14.978 -9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.715 17.027 -9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.882 16.417 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.870 16.695 -10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.862 15.052 -9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.732 15.643 -11.032 1.00 0.00 H new ATOM 258 N GLU A 21 4.690 14.821 -9.365 1.00 0.00 N ATOM 259 CA GLU A 21 3.583 14.098 -9.979 1.00 0.00 C ATOM 260 C GLU A 21 4.093 13.099 -11.014 1.00 0.00 C ATOM 261 O GLU A 21 5.267 13.118 -11.386 1.00 0.00 O ATOM 262 CB GLU A 21 2.608 15.076 -10.636 1.00 0.00 C ATOM 263 CG GLU A 21 3.206 15.838 -11.807 1.00 0.00 C ATOM 264 CD GLU A 21 2.525 17.172 -12.044 1.00 0.00 C ATOM 265 OE1 GLU A 21 1.509 17.198 -12.770 1.00 0.00 O ATOM 266 OE2 GLU A 21 3.008 18.189 -11.505 1.00 0.00 O ATOM 0 H GLU A 21 5.013 15.630 -9.897 1.00 0.00 H new ATOM 0 HA GLU A 21 3.062 13.549 -9.195 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.732 14.526 -10.981 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.263 15.789 -9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.268 16.004 -11.624 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.129 15.230 -12.708 1.00 0.00 H new ATOM 273 N VAL A 22 3.203 12.226 -11.474 1.00 0.00 N ATOM 274 CA VAL A 22 3.562 11.219 -12.466 1.00 0.00 C ATOM 275 C VAL A 22 2.635 11.284 -13.675 1.00 0.00 C ATOM 276 O VAL A 22 1.487 10.840 -13.615 1.00 0.00 O ATOM 277 CB VAL A 22 3.511 9.800 -11.869 1.00 0.00 C ATOM 278 CG1 VAL A 22 4.073 8.786 -12.854 1.00 0.00 C ATOM 279 CG2 VAL A 22 4.266 9.750 -10.550 1.00 0.00 C ATOM 0 H VAL A 22 2.228 12.195 -11.176 1.00 0.00 H new ATOM 0 HA VAL A 22 4.582 11.435 -12.782 1.00 0.00 H new ATOM 0 HB VAL A 22 2.470 9.543 -11.675 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.029 7.789 -12.415 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.484 8.805 -13.771 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.109 9.036 -13.082 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.220 8.740 -10.142 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.307 10.027 -10.716 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.813 10.447 -9.845 1.00 0.00 H new ATOM 289 N HIS A 23 3.140 11.839 -14.772 1.00 0.00 N ATOM 290 CA HIS A 23 2.357 11.962 -15.997 1.00 0.00 C ATOM 291 C HIS A 23 2.583 10.759 -16.908 1.00 0.00 C ATOM 292 O HIS A 23 3.693 10.534 -17.392 1.00 0.00 O ATOM 293 CB HIS A 23 2.722 13.251 -16.734 1.00 0.00 C ATOM 294 CG HIS A 23 2.144 13.336 -18.112 1.00 0.00 C ATOM 295 ND1 HIS A 23 2.745 14.033 -19.139 1.00 0.00 N ATOM 296 CD2 HIS A 23 1.012 12.806 -18.632 1.00 0.00 C ATOM 297 CE1 HIS A 23 2.008 13.929 -20.230 1.00 0.00 C ATOM 298 NE2 HIS A 23 0.950 13.189 -19.950 1.00 0.00 N ATOM 0 H HIS A 23 4.088 12.211 -14.838 1.00 0.00 H new ATOM 0 HA HIS A 23 1.302 11.996 -15.724 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.376 14.104 -16.150 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.807 13.328 -16.799 1.00 0.00 H new ATOM 0 HD1 HIS A 23 3.622 14.549 -19.067 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.291 12.195 -18.108 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.232 14.373 -21.188 1.00 0.00 H new ATOM 307 N TYR A 24 1.525 9.989 -17.137 1.00 0.00 N ATOM 308 CA TYR A 24 1.609 8.808 -17.987 1.00 0.00 C ATOM 309 C TYR A 24 0.260 8.504 -18.633 1.00 0.00 C ATOM 310 O TYR A 24 -0.762 8.414 -17.952 1.00 0.00 O ATOM 311 CB TYR A 24 2.081 7.601 -17.175 1.00 0.00 C ATOM 312 CG TYR A 24 2.460 6.410 -18.025 1.00 0.00 C ATOM 313 CD1 TYR A 24 3.548 6.465 -18.888 1.00 0.00 C ATOM 314 CD2 TYR A 24 1.730 5.229 -17.966 1.00 0.00 C ATOM 315 CE1 TYR A 24 3.898 5.379 -19.667 1.00 0.00 C ATOM 316 CE2 TYR A 24 2.074 4.138 -18.740 1.00 0.00 C ATOM 317 CZ TYR A 24 3.158 4.218 -19.589 1.00 0.00 C ATOM 318 OH TYR A 24 3.502 3.133 -20.363 1.00 0.00 O ATOM 0 H TYR A 24 0.599 10.162 -16.746 1.00 0.00 H new ATOM 0 HA TYR A 24 2.332 9.012 -18.777 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.940 7.894 -16.571 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.291 7.307 -16.484 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.130 7.373 -18.951 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.879 5.163 -17.304 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.746 5.439 -20.333 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.497 3.227 -18.681 1.00 0.00 H new ATOM 0 HH TYR A 24 2.880 2.396 -20.188 1.00 0.00 H new ATOM 328 N LYS A 25 0.265 8.347 -19.952 1.00 0.00 N ATOM 329 CA LYS A 25 -0.956 8.051 -20.692 1.00 0.00 C ATOM 330 C LYS A 25 -1.979 9.169 -20.522 1.00 0.00 C ATOM 331 O LYS A 25 -3.162 8.912 -20.300 1.00 0.00 O ATOM 332 CB LYS A 25 -1.553 6.723 -20.222 1.00 0.00 C ATOM 333 CG LYS A 25 -0.578 5.559 -20.292 1.00 0.00 C ATOM 334 CD LYS A 25 -0.682 4.824 -21.617 1.00 0.00 C ATOM 335 CE LYS A 25 0.267 5.406 -22.653 1.00 0.00 C ATOM 336 NZ LYS A 25 -0.168 5.093 -24.042 1.00 0.00 N ATOM 0 H LYS A 25 1.102 8.420 -20.531 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.701 7.973 -21.749 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.901 6.834 -19.195 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.427 6.491 -20.831 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.439 5.927 -20.158 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.777 4.867 -19.474 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.456 3.768 -21.467 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.706 4.881 -21.987 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.325 6.487 -22.526 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.270 5.012 -22.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.505 5.507 -24.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.199 4.062 -24.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.114 5.491 -24.207 1.00 0.00 H new ATOM 350 N ASN A 26 -1.517 10.410 -20.630 1.00 0.00 N ATOM 351 CA ASN A 26 -2.393 11.567 -20.489 1.00 0.00 C ATOM 352 C ASN A 26 -3.060 11.581 -19.117 1.00 0.00 C ATOM 353 O ASN A 26 -4.204 12.013 -18.976 1.00 0.00 O ATOM 354 CB ASN A 26 -3.459 11.563 -21.586 1.00 0.00 C ATOM 355 CG ASN A 26 -2.868 11.343 -22.965 1.00 0.00 C ATOM 356 OD1 ASN A 26 -3.045 10.283 -23.567 1.00 0.00 O ATOM 357 ND2 ASN A 26 -2.160 12.345 -23.473 1.00 0.00 N ATOM 0 H ASN A 26 -0.541 10.640 -20.815 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.784 12.466 -20.587 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.188 10.780 -21.377 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.996 12.512 -21.571 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.737 12.254 -24.397 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.039 13.206 -22.939 1.00 0.00 H new ATOM 364 N ARG A 27 -2.336 11.105 -18.108 1.00 0.00 N ATOM 365 CA ARG A 27 -2.858 11.062 -16.748 1.00 0.00 C ATOM 366 C ARG A 27 -1.881 11.708 -15.770 1.00 0.00 C ATOM 367 O ARG A 27 -0.823 12.199 -16.166 1.00 0.00 O ATOM 368 CB ARG A 27 -3.133 9.616 -16.330 1.00 0.00 C ATOM 369 CG ARG A 27 -4.124 8.899 -17.232 1.00 0.00 C ATOM 370 CD ARG A 27 -5.557 9.120 -16.771 1.00 0.00 C ATOM 371 NE ARG A 27 -6.132 10.337 -17.337 1.00 0.00 N ATOM 372 CZ ARG A 27 -7.439 10.554 -17.438 1.00 0.00 C ATOM 373 NH1 ARG A 27 -8.301 9.641 -17.013 1.00 0.00 N ATOM 374 NH2 ARG A 27 -7.886 11.687 -17.964 1.00 0.00 N ATOM 0 H ARG A 27 -1.387 10.744 -18.208 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.792 11.623 -16.726 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.194 9.063 -16.325 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.513 9.608 -15.308 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.011 9.256 -18.256 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.904 7.832 -17.241 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.167 8.263 -17.058 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.583 9.179 -15.683 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.496 11.060 -17.673 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.962 8.769 -16.607 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.304 9.811 -17.092 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.226 12.393 -18.291 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.890 11.852 -18.041 1.00 0.00 H new ATOM 388 N PHE A 28 -2.241 11.703 -14.491 1.00 0.00 N ATOM 389 CA PHE A 28 -1.398 12.290 -13.456 1.00 0.00 C ATOM 390 C PHE A 28 -1.772 11.751 -12.079 1.00 0.00 C ATOM 391 O PHE A 28 -2.914 11.882 -11.639 1.00 0.00 O ATOM 392 CB PHE A 28 -1.522 13.815 -13.471 1.00 0.00 C ATOM 393 CG PHE A 28 -1.326 14.419 -14.833 1.00 0.00 C ATOM 394 CD1 PHE A 28 -2.357 14.420 -15.759 1.00 0.00 C ATOM 395 CD2 PHE A 28 -0.112 14.986 -15.186 1.00 0.00 C ATOM 396 CE1 PHE A 28 -2.179 14.975 -17.012 1.00 0.00 C ATOM 397 CE2 PHE A 28 0.071 15.543 -16.438 1.00 0.00 C ATOM 398 CZ PHE A 28 -0.964 15.538 -17.352 1.00 0.00 C ATOM 0 H PHE A 28 -3.112 11.299 -14.146 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.364 12.015 -13.665 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.506 14.095 -13.096 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.788 14.238 -12.786 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.309 13.982 -15.499 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.701 14.993 -14.475 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.990 14.969 -17.726 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.022 15.982 -16.701 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.824 15.973 -18.330 1.00 0.00 H new ATOM 408 N TRP A 29 -0.802 11.146 -11.403 1.00 0.00 N ATOM 409 CA TRP A 29 -1.029 10.587 -10.076 1.00 0.00 C ATOM 410 C TRP A 29 -0.104 11.230 -9.049 1.00 0.00 C ATOM 411 O TRP A 29 1.046 11.553 -9.351 1.00 0.00 O ATOM 412 CB TRP A 29 -0.817 9.072 -10.095 1.00 0.00 C ATOM 413 CG TRP A 29 -1.810 8.344 -10.949 1.00 0.00 C ATOM 414 CD1 TRP A 29 -3.014 7.837 -10.554 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.682 8.040 -12.342 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.643 7.236 -11.618 1.00 0.00 N ATOM 417 CE2 TRP A 29 -2.847 7.348 -12.727 1.00 0.00 C ATOM 418 CE3 TRP A 29 -0.698 8.288 -13.303 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -3.051 6.901 -14.029 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -0.902 7.843 -14.595 1.00 0.00 C ATOM 421 CH2 TRP A 29 -2.071 7.157 -14.949 1.00 0.00 C ATOM 0 H TRP A 29 0.149 11.030 -11.752 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.060 10.799 -9.791 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.189 8.858 -10.457 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.877 8.691 -9.075 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.414 7.899 -9.553 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.555 6.780 -11.587 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.206 8.818 -13.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.951 6.371 -14.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.147 8.027 -15.345 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.201 6.824 -15.968 1.00 0.00 H new ATOM 432 N HIS A 30 -0.610 11.412 -7.833 1.00 0.00 N ATOM 433 CA HIS A 30 0.172 12.015 -6.761 1.00 0.00 C ATOM 434 C HIS A 30 1.365 11.136 -6.397 1.00 0.00 C ATOM 435 O HIS A 30 1.387 9.944 -6.707 1.00 0.00 O ATOM 436 CB HIS A 30 -0.703 12.244 -5.528 1.00 0.00 C ATOM 437 CG HIS A 30 -1.498 13.512 -5.585 1.00 0.00 C ATOM 438 ND1 HIS A 30 -2.863 13.536 -5.780 1.00 0.00 N ATOM 439 CD2 HIS A 30 -1.114 14.804 -5.469 1.00 0.00 C ATOM 440 CE1 HIS A 30 -3.283 14.788 -5.784 1.00 0.00 C ATOM 441 NE2 HIS A 30 -2.241 15.578 -5.597 1.00 0.00 N ATOM 0 H HIS A 30 -1.559 11.150 -7.566 1.00 0.00 H new ATOM 0 HA HIS A 30 0.546 12.976 -7.115 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.386 11.402 -5.415 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -0.069 12.262 -4.641 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.108 15.161 -5.306 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.305 15.111 -5.917 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.269 16.597 -5.555 1.00 0.00 H new ATOM 449 N ASP A 31 2.353 11.730 -5.738 1.00 0.00 N ATOM 450 CA ASP A 31 3.549 11.001 -5.332 1.00 0.00 C ATOM 451 C ASP A 31 3.197 9.881 -4.358 1.00 0.00 C ATOM 452 O ASP A 31 4.045 9.062 -4.002 1.00 0.00 O ATOM 453 CB ASP A 31 4.560 11.953 -4.691 1.00 0.00 C ATOM 454 CG ASP A 31 4.322 12.134 -3.205 1.00 0.00 C ATOM 455 OD1 ASP A 31 4.763 11.266 -2.422 1.00 0.00 O ATOM 456 OD2 ASP A 31 3.695 13.145 -2.824 1.00 0.00 O ATOM 0 H ASP A 31 2.350 12.715 -5.473 1.00 0.00 H new ATOM 0 HA ASP A 31 3.995 10.557 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.568 11.570 -4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.506 12.923 -5.186 1.00 0.00 H new ATOM 461 N THR A 32 1.939 9.851 -3.927 1.00 0.00 N ATOM 462 CA THR A 32 1.475 8.834 -2.992 1.00 0.00 C ATOM 463 C THR A 32 0.351 8.002 -3.598 1.00 0.00 C ATOM 464 O THR A 32 0.023 6.925 -3.099 1.00 0.00 O ATOM 465 CB THR A 32 0.981 9.464 -1.677 1.00 0.00 C ATOM 466 OG1 THR A 32 0.586 8.437 -0.760 1.00 0.00 O ATOM 467 CG2 THR A 32 -0.190 10.401 -1.932 1.00 0.00 C ATOM 0 H THR A 32 1.223 10.520 -4.211 1.00 0.00 H new ATOM 0 HA THR A 32 2.327 8.188 -2.779 1.00 0.00 H new ATOM 0 HB THR A 32 1.800 10.040 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.318 7.638 -1.260 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.522 10.834 -0.988 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.122 11.198 -2.607 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.011 9.843 -2.384 1.00 0.00 H new ATOM 475 N CYS A 33 -0.236 8.507 -4.678 1.00 0.00 N ATOM 476 CA CYS A 33 -1.324 7.810 -5.353 1.00 0.00 C ATOM 477 C CYS A 33 -0.782 6.813 -6.374 1.00 0.00 C ATOM 478 O CYS A 33 -1.324 5.720 -6.539 1.00 0.00 O ATOM 479 CB CYS A 33 -2.248 8.814 -6.046 1.00 0.00 C ATOM 480 SG CYS A 33 -3.347 9.720 -4.910 1.00 0.00 S ATOM 0 H CYS A 33 0.024 9.396 -5.104 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.892 7.261 -4.602 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.640 9.532 -6.596 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.857 8.285 -6.779 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.632 10.368 -4.039 1.00 0.00 H new ATOM 485 N PHE A 34 0.291 7.198 -7.056 1.00 0.00 N ATOM 486 CA PHE A 34 0.908 6.340 -8.061 1.00 0.00 C ATOM 487 C PHE A 34 1.529 5.105 -7.414 1.00 0.00 C ATOM 488 O PHE A 34 2.584 5.186 -6.784 1.00 0.00 O ATOM 489 CB PHE A 34 1.974 7.113 -8.839 1.00 0.00 C ATOM 490 CG PHE A 34 2.597 6.320 -9.952 1.00 0.00 C ATOM 491 CD1 PHE A 34 1.825 5.855 -11.005 1.00 0.00 C ATOM 492 CD2 PHE A 34 3.953 6.039 -9.945 1.00 0.00 C ATOM 493 CE1 PHE A 34 2.395 5.125 -12.031 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.529 5.310 -10.969 1.00 0.00 C ATOM 495 CZ PHE A 34 3.749 4.852 -12.012 1.00 0.00 C ATOM 0 H PHE A 34 0.752 8.099 -6.931 1.00 0.00 H new ATOM 0 HA PHE A 34 0.130 6.015 -8.752 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.526 8.016 -9.254 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.756 7.432 -8.150 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.766 6.065 -11.024 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.567 6.393 -9.131 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.783 4.769 -12.846 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.588 5.099 -10.953 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.197 4.281 -12.812 1.00 0.00 H new ATOM 505 N ARG A 35 0.868 3.964 -7.574 1.00 0.00 N ATOM 506 CA ARG A 35 1.354 2.713 -7.004 1.00 0.00 C ATOM 507 C ARG A 35 0.740 1.514 -7.722 1.00 0.00 C ATOM 508 O ARG A 35 -0.136 1.669 -8.574 1.00 0.00 O ATOM 509 CB ARG A 35 1.029 2.648 -5.511 1.00 0.00 C ATOM 510 CG ARG A 35 -0.447 2.434 -5.217 1.00 0.00 C ATOM 511 CD ARG A 35 -0.706 2.320 -3.723 1.00 0.00 C ATOM 512 NE ARG A 35 -0.950 3.622 -3.109 1.00 0.00 N ATOM 513 CZ ARG A 35 -1.591 3.783 -1.956 1.00 0.00 C ATOM 514 NH1 ARG A 35 -2.050 2.728 -1.296 1.00 0.00 N ATOM 515 NH2 ARG A 35 -1.774 5.001 -1.462 1.00 0.00 N ATOM 0 H ARG A 35 -0.006 3.880 -8.094 1.00 0.00 H new ATOM 0 HA ARG A 35 2.436 2.679 -7.135 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.602 1.839 -5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.355 3.574 -5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.025 3.263 -5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.791 1.529 -5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.566 1.672 -3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.150 1.847 -3.242 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.610 4.454 -3.592 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.911 1.791 -1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.542 2.854 -0.411 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.423 5.814 -1.967 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.266 5.124 -0.577 1.00 0.00 H new ATOM 529 N CYS A 36 1.205 0.320 -7.372 1.00 0.00 N ATOM 530 CA CYS A 36 0.704 -0.906 -7.983 1.00 0.00 C ATOM 531 C CYS A 36 -0.744 -1.162 -7.577 1.00 0.00 C ATOM 532 O CYS A 36 -1.280 -0.495 -6.692 1.00 0.00 O ATOM 533 CB CYS A 36 1.577 -2.095 -7.578 1.00 0.00 C ATOM 534 SG CYS A 36 1.449 -3.526 -8.699 1.00 0.00 S ATOM 0 H CYS A 36 1.929 0.175 -6.668 1.00 0.00 H new ATOM 0 HA CYS A 36 0.744 -0.787 -9.066 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.617 -1.771 -7.536 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.300 -2.409 -6.572 1.00 0.00 H new ATOM 0 HG CYS A 36 2.571 -4.182 -8.695 1.00 0.00 H new ATOM 539 N ALA A 37 -1.373 -2.133 -8.232 1.00 0.00 N ATOM 540 CA ALA A 37 -2.758 -2.479 -7.938 1.00 0.00 C ATOM 541 C ALA A 37 -2.848 -3.823 -7.222 1.00 0.00 C ATOM 542 O ALA A 37 -3.911 -4.209 -6.736 1.00 0.00 O ATOM 543 CB ALA A 37 -3.578 -2.506 -9.220 1.00 0.00 C ATOM 0 H ALA A 37 -0.945 -2.693 -8.969 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.165 -1.716 -7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.610 -2.766 -8.986 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.549 -1.524 -9.691 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.163 -3.248 -9.902 1.00 0.00 H new ATOM 549 N LYS A 38 -1.727 -4.532 -7.162 1.00 0.00 N ATOM 550 CA LYS A 38 -1.678 -5.833 -6.505 1.00 0.00 C ATOM 551 C LYS A 38 -0.906 -5.751 -5.192 1.00 0.00 C ATOM 552 O LYS A 38 -1.381 -6.207 -4.151 1.00 0.00 O ATOM 553 CB LYS A 38 -1.029 -6.869 -7.426 1.00 0.00 C ATOM 554 CG LYS A 38 -1.574 -8.274 -7.240 1.00 0.00 C ATOM 555 CD LYS A 38 -1.354 -9.126 -8.479 1.00 0.00 C ATOM 556 CE LYS A 38 -2.503 -8.982 -9.465 1.00 0.00 C ATOM 557 NZ LYS A 38 -3.732 -9.676 -8.990 1.00 0.00 N ATOM 0 H LYS A 38 -0.839 -4.228 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.701 -6.140 -6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.177 -6.565 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.046 -6.879 -7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.089 -8.743 -6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.639 -8.225 -7.015 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.421 -8.835 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.251 -10.172 -8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.719 -7.925 -9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.206 -9.390 -10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.387 -9.806 -9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.476 -10.604 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.192 -9.103 -8.254 1.00 0.00 H new ATOM 571 N CYS A 39 0.285 -5.165 -5.247 1.00 0.00 N ATOM 572 CA CYS A 39 1.123 -5.021 -4.062 1.00 0.00 C ATOM 573 C CYS A 39 1.098 -3.585 -3.549 1.00 0.00 C ATOM 574 O CYS A 39 1.762 -3.253 -2.566 1.00 0.00 O ATOM 575 CB CYS A 39 2.561 -5.438 -4.375 1.00 0.00 C ATOM 576 SG CYS A 39 3.389 -4.382 -5.608 1.00 0.00 S ATOM 0 H CYS A 39 0.692 -4.782 -6.100 1.00 0.00 H new ATOM 0 HA CYS A 39 0.724 -5.672 -3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.141 -5.424 -3.452 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.560 -6.467 -4.735 1.00 0.00 H new ATOM 0 HG CYS A 39 2.662 -4.319 -6.684 1.00 0.00 H new ATOM 581 N LEU A 40 0.327 -2.736 -4.221 1.00 0.00 N ATOM 582 CA LEU A 40 0.214 -1.334 -3.833 1.00 0.00 C ATOM 583 C LEU A 40 1.590 -0.727 -3.578 1.00 0.00 C ATOM 584 O LEU A 40 1.801 -0.037 -2.581 1.00 0.00 O ATOM 585 CB LEU A 40 -0.655 -1.198 -2.582 1.00 0.00 C ATOM 586 CG LEU A 40 -2.161 -1.077 -2.821 1.00 0.00 C ATOM 587 CD1 LEU A 40 -2.693 -2.322 -3.514 1.00 0.00 C ATOM 588 CD2 LEU A 40 -2.892 -0.842 -1.507 1.00 0.00 C ATOM 0 H LEU A 40 -0.229 -2.994 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.256 -0.793 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.477 -2.064 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.324 -0.320 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.339 -0.220 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.766 -2.218 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.192 -2.446 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.503 -3.195 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.962 -0.758 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.707 -1.678 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.531 0.079 -1.050 1.00 0.00 H new ATOM 600 N HIS A 41 2.524 -0.987 -4.488 1.00 0.00 N ATOM 601 CA HIS A 41 3.880 -0.464 -4.363 1.00 0.00 C ATOM 602 C HIS A 41 4.086 0.737 -5.281 1.00 0.00 C ATOM 603 O HIS A 41 3.749 0.709 -6.465 1.00 0.00 O ATOM 604 CB HIS A 41 4.902 -1.553 -4.692 1.00 0.00 C ATOM 605 CG HIS A 41 6.272 -1.269 -4.160 1.00 0.00 C ATOM 606 ND1 HIS A 41 6.920 -2.098 -3.269 1.00 0.00 N ATOM 607 CD2 HIS A 41 7.120 -0.241 -4.399 1.00 0.00 C ATOM 608 CE1 HIS A 41 8.106 -1.591 -2.981 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.252 -0.464 -3.655 1.00 0.00 N ATOM 0 H HIS A 41 2.367 -1.556 -5.319 1.00 0.00 H new ATOM 0 HA HIS A 41 4.024 -0.140 -3.332 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.553 -2.502 -4.285 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.959 -1.671 -5.774 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.939 0.599 -5.054 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.832 -2.024 -2.309 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.072 0.142 -3.627 1.00 0.00 H new ATOM 618 N PRO A 42 4.650 1.819 -4.723 1.00 0.00 N ATOM 619 CA PRO A 42 4.912 3.050 -5.474 1.00 0.00 C ATOM 620 C PRO A 42 6.026 2.877 -6.501 1.00 0.00 C ATOM 621 O PRO A 42 7.153 2.519 -6.155 1.00 0.00 O ATOM 622 CB PRO A 42 5.335 4.044 -4.389 1.00 0.00 C ATOM 623 CG PRO A 42 5.874 3.196 -3.289 1.00 0.00 C ATOM 624 CD PRO A 42 5.076 1.922 -3.318 1.00 0.00 C ATOM 0 HA PRO A 42 4.043 3.369 -6.049 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.089 4.738 -4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.490 4.643 -4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.935 2.995 -3.436 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.775 3.697 -2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.677 1.064 -3.016 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.223 1.967 -2.641 1.00 0.00 H new ATOM 632 N LEU A 43 5.705 3.133 -7.764 1.00 0.00 N ATOM 633 CA LEU A 43 6.680 3.006 -8.842 1.00 0.00 C ATOM 634 C LEU A 43 7.201 4.374 -9.269 1.00 0.00 C ATOM 635 O LEU A 43 7.800 4.516 -10.335 1.00 0.00 O ATOM 636 CB LEU A 43 6.054 2.289 -10.040 1.00 0.00 C ATOM 637 CG LEU A 43 5.422 0.927 -9.752 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.175 0.213 -8.640 1.00 0.00 C ATOM 639 CD2 LEU A 43 3.954 1.087 -9.386 1.00 0.00 C ATOM 0 H LEU A 43 4.777 3.430 -8.067 1.00 0.00 H new ATOM 0 HA LEU A 43 7.520 2.418 -8.472 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.290 2.938 -10.468 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.823 2.157 -10.801 1.00 0.00 H new ATOM 0 HG LEU A 43 5.487 0.320 -10.655 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.711 -0.754 -8.449 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.212 0.065 -8.940 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.142 0.816 -7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.520 0.107 -9.184 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.867 1.712 -8.498 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.422 1.556 -10.214 1.00 0.00 H new ATOM 651 N ALA A 44 6.970 5.378 -8.430 1.00 0.00 N ATOM 652 CA ALA A 44 7.420 6.734 -8.718 1.00 0.00 C ATOM 653 C ALA A 44 8.791 6.728 -9.385 1.00 0.00 C ATOM 654 O ALA A 44 8.966 7.276 -10.472 1.00 0.00 O ATOM 655 CB ALA A 44 7.455 7.562 -7.442 1.00 0.00 C ATOM 0 H ALA A 44 6.473 5.278 -7.545 1.00 0.00 H new ATOM 0 HA ALA A 44 6.710 7.185 -9.411 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.793 8.572 -7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.456 7.604 -7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.141 7.104 -6.730 1.00 0.00 H new ATOM 661 N ASN A 45 9.762 6.104 -8.724 1.00 0.00 N ATOM 662 CA ASN A 45 11.119 6.028 -9.253 1.00 0.00 C ATOM 663 C ASN A 45 11.438 4.614 -9.731 1.00 0.00 C ATOM 664 O ASN A 45 12.533 4.348 -10.223 1.00 0.00 O ATOM 665 CB ASN A 45 12.129 6.458 -8.187 1.00 0.00 C ATOM 666 CG ASN A 45 12.424 5.353 -7.191 1.00 0.00 C ATOM 667 OD1 ASN A 45 13.255 4.480 -7.444 1.00 0.00 O ATOM 668 ND2 ASN A 45 11.744 5.386 -6.052 1.00 0.00 N ATOM 0 H ASN A 45 9.634 5.644 -7.822 1.00 0.00 H new ATOM 0 HA ASN A 45 11.189 6.705 -10.104 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.056 6.764 -8.671 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.744 7.329 -7.656 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.900 4.669 -5.344 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.065 6.128 -5.885 1.00 0.00 H new ATOM 675 N GLU A 46 10.472 3.713 -9.581 1.00 0.00 N ATOM 676 CA GLU A 46 10.651 2.327 -9.997 1.00 0.00 C ATOM 677 C GLU A 46 9.986 2.073 -11.347 1.00 0.00 C ATOM 678 O GLU A 46 9.209 2.896 -11.834 1.00 0.00 O ATOM 679 CB GLU A 46 10.074 1.377 -8.945 1.00 0.00 C ATOM 680 CG GLU A 46 10.874 0.096 -8.777 1.00 0.00 C ATOM 681 CD GLU A 46 10.008 -1.085 -8.384 1.00 0.00 C ATOM 682 OE1 GLU A 46 9.269 -0.972 -7.383 1.00 0.00 O ATOM 683 OE2 GLU A 46 10.069 -2.123 -9.076 1.00 0.00 O ATOM 0 H GLU A 46 9.559 3.918 -9.175 1.00 0.00 H new ATOM 0 HA GLU A 46 11.720 2.140 -10.098 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.028 1.895 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.050 1.123 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.390 -0.131 -9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.641 0.248 -8.018 1.00 0.00 H new ATOM 690 N THR A 47 10.295 0.928 -11.947 1.00 0.00 N ATOM 691 CA THR A 47 9.730 0.566 -13.241 1.00 0.00 C ATOM 692 C THR A 47 8.315 0.020 -13.089 1.00 0.00 C ATOM 693 O THR A 47 8.019 -0.712 -12.144 1.00 0.00 O ATOM 694 CB THR A 47 10.599 -0.483 -13.960 1.00 0.00 C ATOM 695 OG1 THR A 47 10.935 -1.542 -13.057 1.00 0.00 O ATOM 696 CG2 THR A 47 11.871 0.149 -14.504 1.00 0.00 C ATOM 0 H THR A 47 10.934 0.235 -11.557 1.00 0.00 H new ATOM 0 HA THR A 47 9.703 1.476 -13.840 1.00 0.00 H new ATOM 0 HB THR A 47 10.027 -0.886 -14.796 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.486 -2.206 -13.522 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.468 -0.611 -15.007 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.612 0.935 -15.213 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.445 0.576 -13.682 1.00 0.00 H new ATOM 704 N PHE A 48 7.443 0.380 -14.025 1.00 0.00 N ATOM 705 CA PHE A 48 6.058 -0.074 -13.995 1.00 0.00 C ATOM 706 C PHE A 48 5.628 -0.600 -15.362 1.00 0.00 C ATOM 707 O PHE A 48 6.342 -0.443 -16.352 1.00 0.00 O ATOM 708 CB PHE A 48 5.134 1.066 -13.561 1.00 0.00 C ATOM 709 CG PHE A 48 5.222 2.278 -14.444 1.00 0.00 C ATOM 710 CD1 PHE A 48 6.299 3.144 -14.349 1.00 0.00 C ATOM 711 CD2 PHE A 48 4.227 2.550 -15.369 1.00 0.00 C ATOM 712 CE1 PHE A 48 6.383 4.260 -15.161 1.00 0.00 C ATOM 713 CE2 PHE A 48 4.306 3.664 -16.184 1.00 0.00 C ATOM 714 CZ PHE A 48 5.385 4.521 -16.078 1.00 0.00 C ATOM 0 H PHE A 48 7.671 0.985 -14.814 1.00 0.00 H new ATOM 0 HA PHE A 48 5.984 -0.887 -13.273 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.105 0.706 -13.553 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.379 1.353 -12.538 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.082 2.945 -13.632 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.381 1.885 -15.454 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.229 4.927 -15.078 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.525 3.864 -16.903 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.447 5.393 -16.712 1.00 0.00 H new ATOM 724 N VAL A 49 4.456 -1.226 -15.406 1.00 0.00 N ATOM 725 CA VAL A 49 3.930 -1.775 -16.650 1.00 0.00 C ATOM 726 C VAL A 49 2.422 -1.571 -16.746 1.00 0.00 C ATOM 727 O VAL A 49 1.680 -1.906 -15.823 1.00 0.00 O ATOM 728 CB VAL A 49 4.243 -3.278 -16.777 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.790 -3.805 -18.130 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.728 -3.532 -16.567 1.00 0.00 C ATOM 0 H VAL A 49 3.853 -1.365 -14.595 1.00 0.00 H new ATOM 0 HA VAL A 49 4.419 -1.240 -17.464 1.00 0.00 H new ATOM 0 HB VAL A 49 3.693 -3.813 -16.003 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.019 -4.868 -18.202 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.715 -3.658 -18.237 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.310 -3.267 -18.923 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.931 -4.599 -16.660 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.300 -2.987 -17.318 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.018 -3.193 -15.573 1.00 0.00 H new ATOM 740 N ALA A 50 1.975 -1.020 -17.870 1.00 0.00 N ATOM 741 CA ALA A 50 0.555 -0.774 -18.088 1.00 0.00 C ATOM 742 C ALA A 50 -0.070 -1.880 -18.931 1.00 0.00 C ATOM 743 O ALA A 50 0.194 -1.987 -20.129 1.00 0.00 O ATOM 744 CB ALA A 50 0.350 0.579 -18.753 1.00 0.00 C ATOM 0 H ALA A 50 2.576 -0.736 -18.644 1.00 0.00 H new ATOM 0 HA ALA A 50 0.059 -0.768 -17.117 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.715 0.750 -18.910 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.753 1.364 -18.113 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.865 0.594 -19.713 1.00 0.00 H new ATOM 750 N LYS A 51 -0.902 -2.701 -18.299 1.00 0.00 N ATOM 751 CA LYS A 51 -1.566 -3.799 -18.990 1.00 0.00 C ATOM 752 C LYS A 51 -3.019 -3.925 -18.542 1.00 0.00 C ATOM 753 O LYS A 51 -3.371 -3.530 -17.430 1.00 0.00 O ATOM 754 CB LYS A 51 -0.826 -5.114 -18.732 1.00 0.00 C ATOM 755 CG LYS A 51 -0.888 -5.573 -17.286 1.00 0.00 C ATOM 756 CD LYS A 51 0.208 -6.578 -16.973 1.00 0.00 C ATOM 757 CE LYS A 51 -0.077 -7.930 -17.609 1.00 0.00 C ATOM 758 NZ LYS A 51 0.685 -9.025 -16.949 1.00 0.00 N ATOM 0 H LYS A 51 -1.132 -2.626 -17.308 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.551 -3.584 -20.059 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.249 -5.890 -19.369 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.218 -4.997 -19.023 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.792 -4.711 -16.625 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.862 -6.021 -17.087 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.164 -6.199 -17.334 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.299 -6.695 -15.893 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.144 -8.142 -17.548 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.181 -7.895 -18.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.463 -9.930 -17.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.704 -8.836 -17.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.420 -9.076 -15.944 1.00 0.00 H new ATOM 772 N ASP A 52 -3.856 -4.478 -19.412 1.00 0.00 N ATOM 773 CA ASP A 52 -5.270 -4.658 -19.104 1.00 0.00 C ATOM 774 C ASP A 52 -5.854 -3.398 -18.473 1.00 0.00 C ATOM 775 O ASP A 52 -6.660 -3.472 -17.547 1.00 0.00 O ATOM 776 CB ASP A 52 -5.462 -5.849 -18.164 1.00 0.00 C ATOM 777 CG ASP A 52 -5.572 -7.164 -18.911 1.00 0.00 C ATOM 778 OD1 ASP A 52 -5.027 -7.257 -20.031 1.00 0.00 O ATOM 779 OD2 ASP A 52 -6.204 -8.100 -18.377 1.00 0.00 O ATOM 0 H ASP A 52 -3.580 -4.810 -20.336 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.797 -4.853 -20.038 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.624 -5.898 -17.469 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.362 -5.697 -17.568 1.00 0.00 H new ATOM 784 N ASN A 53 -5.439 -2.241 -18.981 1.00 0.00 N ATOM 785 CA ASN A 53 -5.919 -0.964 -18.466 1.00 0.00 C ATOM 786 C ASN A 53 -5.741 -0.886 -16.953 1.00 0.00 C ATOM 787 O ASN A 53 -6.631 -0.432 -16.234 1.00 0.00 O ATOM 788 CB ASN A 53 -7.393 -0.767 -18.828 1.00 0.00 C ATOM 789 CG ASN A 53 -7.650 -0.932 -20.313 1.00 0.00 C ATOM 790 OD1 ASN A 53 -6.917 -0.398 -21.145 1.00 0.00 O ATOM 791 ND2 ASN A 53 -8.698 -1.674 -20.653 1.00 0.00 N ATOM 0 H ASN A 53 -4.772 -2.162 -19.748 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.329 -0.170 -18.925 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.999 -1.485 -18.275 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.712 0.227 -18.515 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.922 -1.820 -21.637 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.279 -2.098 -19.930 1.00 0.00 H new ATOM 798 N LYS A 54 -4.584 -1.332 -16.475 1.00 0.00 N ATOM 799 CA LYS A 54 -4.286 -1.312 -15.048 1.00 0.00 C ATOM 800 C LYS A 54 -2.796 -1.090 -14.806 1.00 0.00 C ATOM 801 O LYS A 54 -1.961 -1.471 -15.628 1.00 0.00 O ATOM 802 CB LYS A 54 -4.730 -2.622 -14.395 1.00 0.00 C ATOM 803 CG LYS A 54 -6.204 -2.651 -14.030 1.00 0.00 C ATOM 804 CD LYS A 54 -6.658 -4.050 -13.649 1.00 0.00 C ATOM 805 CE LYS A 54 -7.144 -4.828 -14.863 1.00 0.00 C ATOM 806 NZ LYS A 54 -7.405 -6.257 -14.538 1.00 0.00 N ATOM 0 H LYS A 54 -3.837 -1.712 -17.056 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.836 -0.485 -14.599 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.516 -3.447 -15.074 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.138 -2.788 -13.495 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.387 -1.969 -13.199 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.795 -2.293 -14.873 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.834 -4.586 -13.178 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.459 -3.986 -12.912 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.056 -4.370 -15.246 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.399 -4.766 -15.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.734 -6.752 -15.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.529 -6.701 -14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.135 -6.317 -13.799 1.00 0.00 H new ATOM 820 N ILE A 55 -2.470 -0.474 -13.675 1.00 0.00 N ATOM 821 CA ILE A 55 -1.081 -0.205 -13.325 1.00 0.00 C ATOM 822 C ILE A 55 -0.505 -1.322 -12.461 1.00 0.00 C ATOM 823 O ILE A 55 -1.043 -1.641 -11.400 1.00 0.00 O ATOM 824 CB ILE A 55 -0.938 1.133 -12.577 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.633 2.253 -13.353 1.00 0.00 C ATOM 826 CG2 ILE A 55 0.531 1.464 -12.360 1.00 0.00 C ATOM 827 CD1 ILE A 55 -1.031 2.507 -14.717 1.00 0.00 C ATOM 0 H ILE A 55 -3.149 -0.152 -12.985 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.525 -0.150 -14.261 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.417 1.041 -11.602 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.687 2.002 -13.471 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.588 3.172 -12.768 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.616 2.413 -11.830 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.998 0.676 -11.770 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.033 1.541 -13.324 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.574 3.314 -15.210 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.016 2.789 -14.606 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.101 1.602 -15.320 1.00 0.00 H new ATOM 839 N LEU A 56 0.592 -1.913 -12.922 1.00 0.00 N ATOM 840 CA LEU A 56 1.243 -2.994 -12.190 1.00 0.00 C ATOM 841 C LEU A 56 2.759 -2.823 -12.200 1.00 0.00 C ATOM 842 O LEU A 56 3.307 -2.101 -13.033 1.00 0.00 O ATOM 843 CB LEU A 56 0.867 -4.346 -12.798 1.00 0.00 C ATOM 844 CG LEU A 56 -0.581 -4.793 -12.597 1.00 0.00 C ATOM 845 CD1 LEU A 56 -0.899 -5.987 -13.485 1.00 0.00 C ATOM 846 CD2 LEU A 56 -0.838 -5.129 -11.136 1.00 0.00 C ATOM 0 H LEU A 56 1.049 -1.662 -13.799 1.00 0.00 H new ATOM 0 HA LEU A 56 0.899 -2.959 -11.156 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.070 -4.309 -13.868 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.523 -5.107 -12.375 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.238 -3.970 -12.880 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.934 -6.291 -13.329 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.756 -5.712 -14.530 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.235 -6.814 -13.234 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.874 -5.445 -11.012 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.173 -5.935 -10.826 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.652 -4.248 -10.522 1.00 0.00 H new ATOM 858 N CYS A 57 3.431 -3.492 -11.269 1.00 0.00 N ATOM 859 CA CYS A 57 4.883 -3.417 -11.171 1.00 0.00 C ATOM 860 C CYS A 57 5.534 -4.662 -11.765 1.00 0.00 C ATOM 861 O CYS A 57 4.955 -5.747 -11.746 1.00 0.00 O ATOM 862 CB CYS A 57 5.309 -3.252 -9.711 1.00 0.00 C ATOM 863 SG CYS A 57 5.097 -4.754 -8.701 1.00 0.00 S ATOM 0 H CYS A 57 2.992 -4.093 -10.571 1.00 0.00 H new ATOM 0 HA CYS A 57 5.216 -2.549 -11.740 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.356 -2.951 -9.681 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.732 -2.442 -9.264 1.00 0.00 H new ATOM 0 HG CYS A 57 4.478 -4.452 -7.598 1.00 0.00 H new ATOM 868 N ASN A 58 6.743 -4.497 -12.292 1.00 0.00 N ATOM 869 CA ASN A 58 7.474 -5.608 -12.892 1.00 0.00 C ATOM 870 C ASN A 58 7.366 -6.860 -12.027 1.00 0.00 C ATOM 871 O ASN A 58 7.031 -7.939 -12.517 1.00 0.00 O ATOM 872 CB ASN A 58 8.945 -5.233 -13.085 1.00 0.00 C ATOM 873 CG ASN A 58 9.127 -4.101 -14.078 1.00 0.00 C ATOM 874 OD1 ASN A 58 8.352 -3.145 -14.095 1.00 0.00 O ATOM 875 ND2 ASN A 58 10.157 -4.205 -14.911 1.00 0.00 N ATOM 0 H ASN A 58 7.237 -3.605 -12.316 1.00 0.00 H new ATOM 0 HA ASN A 58 7.030 -5.820 -13.864 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.372 -4.943 -12.125 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.498 -6.107 -13.429 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.331 -3.474 -15.601 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.774 -5.016 -14.861 1.00 0.00 H new ATOM 882 N LYS A 59 7.651 -6.709 -10.738 1.00 0.00 N ATOM 883 CA LYS A 59 7.585 -7.826 -9.804 1.00 0.00 C ATOM 884 C LYS A 59 6.312 -8.639 -10.017 1.00 0.00 C ATOM 885 O LYS A 59 6.367 -9.849 -10.239 1.00 0.00 O ATOM 886 CB LYS A 59 7.641 -7.315 -8.362 1.00 0.00 C ATOM 887 CG LYS A 59 9.054 -7.139 -7.834 1.00 0.00 C ATOM 888 CD LYS A 59 9.776 -6.004 -8.541 1.00 0.00 C ATOM 889 CE LYS A 59 11.224 -5.897 -8.087 1.00 0.00 C ATOM 890 NZ LYS A 59 11.354 -5.110 -6.830 1.00 0.00 N ATOM 0 H LYS A 59 7.930 -5.823 -10.316 1.00 0.00 H new ATOM 0 HA LYS A 59 8.443 -8.473 -9.988 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.119 -6.360 -8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.105 -8.012 -7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.021 -6.939 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.612 -8.066 -7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.742 -6.165 -9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.261 -5.064 -8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.631 -6.896 -7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.817 -5.428 -8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.355 -5.060 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.989 -4.148 -6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.809 -5.571 -6.074 1.00 0.00 H new ATOM 904 N CYS A 60 5.168 -7.967 -9.950 1.00 0.00 N ATOM 905 CA CYS A 60 3.881 -8.627 -10.136 1.00 0.00 C ATOM 906 C CYS A 60 3.760 -9.194 -11.548 1.00 0.00 C ATOM 907 O CYS A 60 3.553 -10.393 -11.732 1.00 0.00 O ATOM 908 CB CYS A 60 2.738 -7.646 -9.869 1.00 0.00 C ATOM 909 SG CYS A 60 2.438 -7.317 -8.103 1.00 0.00 S ATOM 0 H CYS A 60 5.106 -6.965 -9.768 1.00 0.00 H new ATOM 0 HA CYS A 60 3.817 -9.451 -9.425 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.958 -6.704 -10.371 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.824 -8.039 -10.315 1.00 0.00 H new ATOM 0 HG CYS A 60 3.204 -6.344 -7.707 1.00 0.00 H new ATOM 914 N THR A 61 3.892 -8.322 -12.543 1.00 0.00 N ATOM 915 CA THR A 61 3.797 -8.734 -13.938 1.00 0.00 C ATOM 916 C THR A 61 4.479 -10.078 -14.162 1.00 0.00 C ATOM 917 O THR A 61 3.906 -10.985 -14.767 1.00 0.00 O ATOM 918 CB THR A 61 4.427 -7.688 -14.877 1.00 0.00 C ATOM 919 OG1 THR A 61 5.835 -7.595 -14.632 1.00 0.00 O ATOM 920 CG2 THR A 61 3.781 -6.324 -14.679 1.00 0.00 C ATOM 0 H THR A 61 4.065 -7.326 -12.408 1.00 0.00 H new ATOM 0 HA THR A 61 2.736 -8.826 -14.169 1.00 0.00 H new ATOM 0 HB THR A 61 4.258 -8.006 -15.906 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.059 -8.092 -13.818 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.242 -5.602 -15.353 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.715 -6.392 -14.894 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.923 -6.000 -13.648 1.00 0.00 H new ATOM 1004 N PRO A 67 2.910 -23.801 -7.508 1.00 0.00 N ATOM 1005 CA PRO A 67 3.280 -24.760 -6.464 1.00 0.00 C ATOM 1006 C PRO A 67 3.571 -26.147 -7.028 1.00 0.00 C ATOM 1007 O PRO A 67 3.475 -26.371 -8.234 1.00 0.00 O ATOM 1008 CB PRO A 67 2.043 -24.799 -5.563 1.00 0.00 C ATOM 1009 CG PRO A 67 0.915 -24.399 -6.451 1.00 0.00 C ATOM 1010 CD PRO A 67 1.490 -23.418 -7.434 1.00 0.00 C ATOM 0 HA PRO A 67 4.193 -24.466 -5.946 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.886 -25.795 -5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.145 -24.115 -4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.496 -25.265 -6.964 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.107 -23.947 -5.876 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.003 -23.491 -8.406 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.368 -22.390 -7.093 1.00 0.00 H new ATOM 1018 N LYS A 68 3.928 -27.076 -6.147 1.00 0.00 N ATOM 1019 CA LYS A 68 4.232 -28.442 -6.555 1.00 0.00 C ATOM 1020 C LYS A 68 3.484 -29.449 -5.688 1.00 0.00 C ATOM 1021 O LYS A 68 3.219 -29.195 -4.512 1.00 0.00 O ATOM 1022 CB LYS A 68 5.739 -28.698 -6.469 1.00 0.00 C ATOM 1023 CG LYS A 68 6.331 -28.386 -5.106 1.00 0.00 C ATOM 1024 CD LYS A 68 7.848 -28.485 -5.121 1.00 0.00 C ATOM 1025 CE LYS A 68 8.318 -29.892 -4.786 1.00 0.00 C ATOM 1026 NZ LYS A 68 9.803 -29.994 -4.779 1.00 0.00 N ATOM 0 H LYS A 68 4.014 -26.907 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 68 3.906 -28.567 -7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.936 -29.742 -6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.245 -28.095 -7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.034 -27.383 -4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.928 -29.077 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.223 -28.200 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.267 -27.780 -4.403 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.930 -30.182 -3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.909 -30.594 -5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.096 -30.835 -5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.211 -29.143 -5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.141 -30.075 -3.799 1.00 0.00 H new ATOM 1040 N CYS A 69 3.146 -30.592 -6.274 1.00 0.00 N ATOM 1041 CA CYS A 69 2.429 -31.638 -5.555 1.00 0.00 C ATOM 1042 C CYS A 69 3.402 -32.579 -4.850 1.00 0.00 C ATOM 1043 O CYS A 69 4.606 -32.549 -5.104 1.00 0.00 O ATOM 1044 CB CYS A 69 1.542 -32.432 -6.517 1.00 0.00 C ATOM 1045 SG CYS A 69 0.279 -33.453 -5.693 1.00 0.00 S ATOM 0 H CYS A 69 3.357 -30.818 -7.246 1.00 0.00 H new ATOM 0 HA CYS A 69 1.801 -31.161 -4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.046 -31.737 -7.195 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.173 -33.077 -7.128 1.00 0.00 H new ATOM 0 HG CYS A 69 -0.596 -33.850 -6.568 1.00 0.00 H new ATOM 1050 N LYS A 70 2.871 -33.414 -3.964 1.00 0.00 N ATOM 1051 CA LYS A 70 3.690 -34.365 -3.222 1.00 0.00 C ATOM 1052 C LYS A 70 3.275 -35.800 -3.533 1.00 0.00 C ATOM 1053 O LYS A 70 4.078 -36.726 -3.427 1.00 0.00 O ATOM 1054 CB LYS A 70 3.576 -34.105 -1.718 1.00 0.00 C ATOM 1055 CG LYS A 70 4.849 -34.411 -0.949 1.00 0.00 C ATOM 1056 CD LYS A 70 5.205 -35.886 -1.023 1.00 0.00 C ATOM 1057 CE LYS A 70 6.221 -36.268 0.042 1.00 0.00 C ATOM 1058 NZ LYS A 70 6.730 -37.655 -0.150 1.00 0.00 N ATOM 0 H LYS A 70 1.876 -33.452 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 70 4.727 -34.230 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.307 -33.061 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.764 -34.709 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.670 -33.817 -1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.725 -34.118 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.303 -36.486 -0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.607 -36.115 -2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.056 -35.568 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.764 -36.182 1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.420 -37.878 0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.937 -38.326 -0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.189 -37.731 -1.080 1.00 0.00 H new ATOM 1072 N GLY A 71 2.015 -35.976 -3.920 1.00 0.00 N ATOM 1073 CA GLY A 71 1.516 -37.300 -4.243 1.00 0.00 C ATOM 1074 C GLY A 71 2.046 -37.813 -5.567 1.00 0.00 C ATOM 1075 O GLY A 71 2.288 -39.010 -5.726 1.00 0.00 O ATOM 0 H GLY A 71 1.331 -35.225 -4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.796 -37.994 -3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.427 -37.276 -4.276 1.00 0.00 H new ATOM 1079 N CYS A 72 2.227 -36.906 -6.521 1.00 0.00 N ATOM 1080 CA CYS A 72 2.729 -37.272 -7.840 1.00 0.00 C ATOM 1081 C CYS A 72 3.980 -36.470 -8.188 1.00 0.00 C ATOM 1082 O CYS A 72 4.770 -36.871 -9.042 1.00 0.00 O ATOM 1083 CB CYS A 72 1.651 -37.043 -8.901 1.00 0.00 C ATOM 1084 SG CYS A 72 1.186 -35.296 -9.123 1.00 0.00 S ATOM 0 H CYS A 72 2.033 -35.911 -6.405 1.00 0.00 H new ATOM 0 HA CYS A 72 2.991 -38.330 -7.821 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.004 -37.438 -9.854 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.762 -37.613 -8.630 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.069 -35.139 -8.822 1.00 0.00 H new ATOM 1089 N PHE A 73 4.152 -35.334 -7.519 1.00 0.00 N ATOM 1090 CA PHE A 73 5.306 -34.475 -7.757 1.00 0.00 C ATOM 1091 C PHE A 73 5.192 -33.774 -9.108 1.00 0.00 C ATOM 1092 O PHE A 73 6.116 -33.813 -9.921 1.00 0.00 O ATOM 1093 CB PHE A 73 6.598 -35.292 -7.701 1.00 0.00 C ATOM 1094 CG PHE A 73 7.799 -34.487 -7.295 1.00 0.00 C ATOM 1095 CD1 PHE A 73 7.850 -33.123 -7.537 1.00 0.00 C ATOM 1096 CD2 PHE A 73 8.878 -35.094 -6.673 1.00 0.00 C ATOM 1097 CE1 PHE A 73 8.953 -32.379 -7.164 1.00 0.00 C ATOM 1098 CE2 PHE A 73 9.984 -34.355 -6.298 1.00 0.00 C ATOM 1099 CZ PHE A 73 10.023 -32.996 -6.545 1.00 0.00 C ATOM 0 H PHE A 73 3.507 -34.988 -6.809 1.00 0.00 H new ATOM 0 HA PHE A 73 5.331 -33.717 -6.974 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.468 -36.115 -6.998 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.781 -35.735 -8.680 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.018 -32.636 -8.023 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.855 -36.156 -6.479 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.979 -31.317 -7.356 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.818 -34.840 -5.812 1.00 0.00 H new ATOM 0 HZ PHE A 73 10.888 -32.418 -6.255 1.00 0.00 H new ATOM 1109 N LYS A 74 4.052 -33.133 -9.341 1.00 0.00 N ATOM 1110 CA LYS A 74 3.815 -32.422 -10.592 1.00 0.00 C ATOM 1111 C LYS A 74 3.389 -30.982 -10.328 1.00 0.00 C ATOM 1112 O LYS A 74 2.901 -30.658 -9.245 1.00 0.00 O ATOM 1113 CB LYS A 74 2.742 -33.140 -11.415 1.00 0.00 C ATOM 1114 CG LYS A 74 3.217 -34.446 -12.027 1.00 0.00 C ATOM 1115 CD LYS A 74 4.054 -34.207 -13.272 1.00 0.00 C ATOM 1116 CE LYS A 74 4.979 -35.381 -13.555 1.00 0.00 C ATOM 1117 NZ LYS A 74 4.273 -36.488 -14.257 1.00 0.00 N ATOM 0 H LYS A 74 3.277 -33.091 -8.679 1.00 0.00 H new ATOM 0 HA LYS A 74 4.748 -32.408 -11.155 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.880 -33.339 -10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.403 -32.477 -12.211 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.804 -35.000 -11.294 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.356 -35.065 -12.280 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.398 -34.045 -14.127 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.644 -33.299 -13.146 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.819 -35.043 -14.162 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.393 -35.751 -12.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.938 -37.268 -14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.487 -36.828 -13.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.900 -36.142 -15.164 1.00 0.00 H new ATOM 1131 N ALA A 75 3.576 -30.122 -11.323 1.00 0.00 N ATOM 1132 CA ALA A 75 3.208 -28.717 -11.198 1.00 0.00 C ATOM 1133 C ALA A 75 1.700 -28.557 -11.040 1.00 0.00 C ATOM 1134 O ALA A 75 0.930 -28.931 -11.926 1.00 0.00 O ATOM 1135 CB ALA A 75 3.700 -27.933 -12.406 1.00 0.00 C ATOM 0 H ALA A 75 3.980 -30.373 -12.225 1.00 0.00 H new ATOM 0 HA ALA A 75 3.685 -28.320 -10.302 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.418 -26.885 -12.299 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.785 -28.012 -12.474 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.250 -28.339 -13.312 1.00 0.00 H new ATOM 1141 N ILE A 76 1.284 -27.999 -9.908 1.00 0.00 N ATOM 1142 CA ILE A 76 -0.132 -27.790 -9.634 1.00 0.00 C ATOM 1143 C ILE A 76 -0.589 -26.420 -10.123 1.00 0.00 C ATOM 1144 O ILE A 76 0.170 -25.451 -10.089 1.00 0.00 O ATOM 1145 CB ILE A 76 -0.440 -27.915 -8.131 1.00 0.00 C ATOM 1146 CG1 ILE A 76 0.106 -29.236 -7.584 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -1.938 -27.814 -7.887 1.00 0.00 C ATOM 1148 CD1 ILE A 76 0.128 -29.302 -6.073 1.00 0.00 C ATOM 0 H ILE A 76 1.908 -27.683 -9.166 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.675 -28.566 -10.173 1.00 0.00 H new ATOM 0 HB ILE A 76 0.050 -27.095 -7.606 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.501 -30.057 -7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.118 -29.385 -7.961 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.140 -27.904 -6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.301 -26.850 -8.245 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.449 -28.615 -8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.527 -30.266 -5.757 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.758 -28.503 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.885 -29.185 -5.689 1.00 0.00 H new ATOM 1160 N VAL A 77 -1.837 -26.345 -10.576 1.00 0.00 N ATOM 1161 CA VAL A 77 -2.397 -25.093 -11.069 1.00 0.00 C ATOM 1162 C VAL A 77 -3.657 -24.714 -10.300 1.00 0.00 C ATOM 1163 O VAL A 77 -4.473 -25.572 -9.964 1.00 0.00 O ATOM 1164 CB VAL A 77 -2.732 -25.180 -12.570 1.00 0.00 C ATOM 1165 CG1 VAL A 77 -3.086 -23.806 -13.119 1.00 0.00 C ATOM 1166 CG2 VAL A 77 -1.570 -25.788 -13.340 1.00 0.00 C ATOM 0 H VAL A 77 -2.479 -27.137 -10.611 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.638 -24.326 -10.918 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.599 -25.828 -12.694 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.320 -23.887 -14.181 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.952 -23.413 -12.586 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.240 -23.131 -12.984 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.824 -25.842 -14.399 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.683 -25.167 -13.211 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.369 -26.791 -12.963 1.00 0.00 H new ATOM 1176 N ALA A 78 -3.810 -23.423 -10.024 1.00 0.00 N ATOM 1177 CA ALA A 78 -4.973 -22.930 -9.296 1.00 0.00 C ATOM 1178 C ALA A 78 -6.257 -23.565 -9.817 1.00 0.00 C ATOM 1179 O ALA A 78 -6.929 -24.307 -9.101 1.00 0.00 O ATOM 1180 CB ALA A 78 -5.053 -21.413 -9.395 1.00 0.00 C ATOM 0 H ALA A 78 -3.143 -22.700 -10.293 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.861 -23.209 -8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.926 -21.058 -8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.152 -20.972 -8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.138 -21.121 -10.442 1.00 0.00 H new ATOM 1186 N GLY A 79 -6.593 -23.269 -11.069 1.00 0.00 N ATOM 1187 CA GLY A 79 -7.797 -23.820 -11.664 1.00 0.00 C ATOM 1188 C GLY A 79 -7.932 -25.311 -11.425 1.00 0.00 C ATOM 1189 O GLY A 79 -9.006 -25.794 -11.067 1.00 0.00 O ATOM 0 H GLY A 79 -6.053 -22.658 -11.682 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.668 -23.309 -11.254 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.790 -23.626 -12.737 1.00 0.00 H new ATOM 1193 N ASP A 80 -6.841 -26.041 -11.626 1.00 0.00 N ATOM 1194 CA ASP A 80 -6.842 -27.486 -11.431 1.00 0.00 C ATOM 1195 C ASP A 80 -7.233 -27.842 -10.000 1.00 0.00 C ATOM 1196 O ASP A 80 -6.772 -27.213 -9.047 1.00 0.00 O ATOM 1197 CB ASP A 80 -5.465 -28.067 -11.756 1.00 0.00 C ATOM 1198 CG ASP A 80 -5.245 -28.238 -13.246 1.00 0.00 C ATOM 1199 OD1 ASP A 80 -6.184 -28.687 -13.936 1.00 0.00 O ATOM 1200 OD2 ASP A 80 -4.134 -27.924 -13.722 1.00 0.00 O ATOM 0 H ASP A 80 -5.945 -25.656 -11.924 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.579 -27.918 -12.108 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.693 -27.413 -11.351 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.356 -29.033 -11.263 1.00 0.00 H new ATOM 1205 N GLN A 81 -8.086 -28.851 -9.859 1.00 0.00 N ATOM 1206 CA GLN A 81 -8.540 -29.288 -8.544 1.00 0.00 C ATOM 1207 C GLN A 81 -7.376 -29.821 -7.715 1.00 0.00 C ATOM 1208 O GLN A 81 -6.665 -30.731 -8.139 1.00 0.00 O ATOM 1209 CB GLN A 81 -9.616 -30.365 -8.684 1.00 0.00 C ATOM 1210 CG GLN A 81 -10.975 -29.818 -9.090 1.00 0.00 C ATOM 1211 CD GLN A 81 -11.724 -29.195 -7.928 1.00 0.00 C ATOM 1212 OE1 GLN A 81 -11.772 -29.757 -6.833 1.00 0.00 O ATOM 1213 NE2 GLN A 81 -12.313 -28.028 -8.160 1.00 0.00 N ATOM 0 H GLN A 81 -8.476 -29.381 -10.638 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.964 -28.426 -8.030 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.292 -31.096 -9.424 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.715 -30.894 -7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.843 -29.072 -9.874 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.575 -30.623 -9.514 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.248 -27.598 -9.083 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.831 -27.561 -7.416 1.00 0.00 H new ATOM 1222 N ASN A 82 -7.187 -29.248 -6.531 1.00 0.00 N ATOM 1223 CA ASN A 82 -6.108 -29.665 -5.643 1.00 0.00 C ATOM 1224 C ASN A 82 -6.540 -29.574 -4.182 1.00 0.00 C ATOM 1225 O ASN A 82 -7.420 -28.788 -3.831 1.00 0.00 O ATOM 1226 CB ASN A 82 -4.866 -28.802 -5.874 1.00 0.00 C ATOM 1227 CG ASN A 82 -4.764 -28.308 -7.304 1.00 0.00 C ATOM 1228 OD1 ASN A 82 -4.844 -29.092 -8.250 1.00 0.00 O ATOM 1229 ND2 ASN A 82 -4.584 -27.003 -7.468 1.00 0.00 N ATOM 0 H ASN A 82 -7.767 -28.493 -6.164 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.867 -30.704 -5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.890 -27.947 -5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.975 -29.379 -5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.506 -26.613 -8.407 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.524 -26.390 -6.655 1.00 0.00 H new ATOM 1236 N VAL A 83 -5.913 -30.383 -3.334 1.00 0.00 N ATOM 1237 CA VAL A 83 -6.231 -30.394 -1.911 1.00 0.00 C ATOM 1238 C VAL A 83 -5.075 -29.838 -1.086 1.00 0.00 C ATOM 1239 O VAL A 83 -4.047 -30.495 -0.920 1.00 0.00 O ATOM 1240 CB VAL A 83 -6.561 -31.815 -1.420 1.00 0.00 C ATOM 1241 CG1 VAL A 83 -7.048 -31.783 0.021 1.00 0.00 C ATOM 1242 CG2 VAL A 83 -7.596 -32.465 -2.327 1.00 0.00 C ATOM 0 H VAL A 83 -5.182 -31.039 -3.608 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.107 -29.760 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.651 -32.414 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.276 -32.797 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.271 -31.361 0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.946 -31.169 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.818 -33.469 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.508 -31.869 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.204 -32.523 -3.343 1.00 0.00 H new ATOM 1252 N GLU A 84 -5.252 -28.626 -0.571 1.00 0.00 N ATOM 1253 CA GLU A 84 -4.222 -27.982 0.237 1.00 0.00 C ATOM 1254 C GLU A 84 -4.379 -28.348 1.710 1.00 0.00 C ATOM 1255 O GLU A 84 -5.449 -28.175 2.294 1.00 0.00 O ATOM 1256 CB GLU A 84 -4.285 -26.463 0.068 1.00 0.00 C ATOM 1257 CG GLU A 84 -3.324 -25.709 0.972 1.00 0.00 C ATOM 1258 CD GLU A 84 -3.545 -24.210 0.937 1.00 0.00 C ATOM 1259 OE1 GLU A 84 -4.568 -23.747 1.484 1.00 0.00 O ATOM 1260 OE2 GLU A 84 -2.694 -23.499 0.363 1.00 0.00 O ATOM 0 H GLU A 84 -6.098 -28.070 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.251 -28.338 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.066 -26.212 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.301 -26.125 0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.439 -26.066 1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.300 -25.929 0.671 1.00 0.00 H new ATOM 1267 N TYR A 85 -3.305 -28.856 2.304 1.00 0.00 N ATOM 1268 CA TYR A 85 -3.323 -29.250 3.708 1.00 0.00 C ATOM 1269 C TYR A 85 -1.955 -29.041 4.350 1.00 0.00 C ATOM 1270 O TYR A 85 -0.982 -29.708 3.997 1.00 0.00 O ATOM 1271 CB TYR A 85 -3.744 -30.714 3.844 1.00 0.00 C ATOM 1272 CG TYR A 85 -3.763 -31.209 5.272 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -4.745 -30.788 6.161 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -2.800 -32.097 5.733 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -4.766 -31.237 7.467 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -2.814 -32.553 7.038 1.00 0.00 C ATOM 1277 CZ TYR A 85 -3.799 -32.120 7.900 1.00 0.00 C ATOM 1278 OH TYR A 85 -3.816 -32.570 9.201 1.00 0.00 O ATOM 0 H TYR A 85 -2.411 -29.005 1.835 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.047 -28.621 4.226 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.737 -30.839 3.412 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.062 -31.335 3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -5.505 -30.098 5.825 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.027 -32.437 5.060 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.535 -30.899 8.145 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.058 -33.244 7.380 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.068 -33.186 9.344 1.00 0.00 H new ATOM 1288 N LYS A 86 -1.888 -28.111 5.296 1.00 0.00 N ATOM 1289 CA LYS A 86 -0.642 -27.813 5.991 1.00 0.00 C ATOM 1290 C LYS A 86 0.448 -27.407 5.004 1.00 0.00 C ATOM 1291 O LYS A 86 1.532 -27.988 4.988 1.00 0.00 O ATOM 1292 CB LYS A 86 -0.183 -29.027 6.802 1.00 0.00 C ATOM 1293 CG LYS A 86 -0.791 -29.094 8.193 1.00 0.00 C ATOM 1294 CD LYS A 86 -0.240 -30.267 8.986 1.00 0.00 C ATOM 1295 CE LYS A 86 -0.856 -30.339 10.375 1.00 0.00 C ATOM 1296 NZ LYS A 86 -0.471 -29.170 11.214 1.00 0.00 N ATOM 0 H LYS A 86 -2.684 -27.550 5.599 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.824 -26.979 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.441 -29.936 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.903 -29.005 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.586 -28.165 8.726 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.874 -29.184 8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.439 -31.195 8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.843 -30.174 9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.942 -30.382 10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.538 -31.259 10.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.766 -29.336 12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.561 -29.042 11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.938 -28.314 10.852 1.00 0.00 H new ATOM 1310 N GLY A 87 0.152 -26.405 4.181 1.00 0.00 N ATOM 1311 CA GLY A 87 1.117 -25.939 3.203 1.00 0.00 C ATOM 1312 C GLY A 87 1.202 -26.847 1.993 1.00 0.00 C ATOM 1313 O GLY A 87 1.185 -26.380 0.853 1.00 0.00 O ATOM 0 H GLY A 87 -0.739 -25.908 4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.846 -24.934 2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.099 -25.870 3.671 1.00 0.00 H new ATOM 1317 N THR A 88 1.295 -28.150 2.238 1.00 0.00 N ATOM 1318 CA THR A 88 1.386 -29.126 1.160 1.00 0.00 C ATOM 1319 C THR A 88 0.007 -29.456 0.599 1.00 0.00 C ATOM 1320 O THR A 88 -0.904 -29.825 1.340 1.00 0.00 O ATOM 1321 CB THR A 88 2.059 -30.428 1.635 1.00 0.00 C ATOM 1322 OG1 THR A 88 1.478 -30.856 2.872 1.00 0.00 O ATOM 1323 CG2 THR A 88 3.556 -30.230 1.813 1.00 0.00 C ATOM 0 H THR A 88 1.309 -28.554 3.175 1.00 0.00 H new ATOM 0 HA THR A 88 1.996 -28.675 0.377 1.00 0.00 H new ATOM 0 HB THR A 88 1.898 -31.193 0.875 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.590 -30.454 2.973 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.009 -31.163 2.149 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.999 -29.933 0.863 1.00 0.00 H new ATOM 0 HG23 THR A 88 3.734 -29.452 2.555 1.00 0.00 H new ATOM 1331 N VAL A 89 -0.140 -29.321 -0.716 1.00 0.00 N ATOM 1332 CA VAL A 89 -1.408 -29.606 -1.376 1.00 0.00 C ATOM 1333 C VAL A 89 -1.288 -30.816 -2.296 1.00 0.00 C ATOM 1334 O VAL A 89 -0.376 -30.895 -3.119 1.00 0.00 O ATOM 1335 CB VAL A 89 -1.897 -28.398 -2.197 1.00 0.00 C ATOM 1336 CG1 VAL A 89 -1.346 -27.102 -1.621 1.00 0.00 C ATOM 1337 CG2 VAL A 89 -1.502 -28.551 -3.658 1.00 0.00 C ATOM 0 H VAL A 89 0.603 -29.016 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.133 -29.820 -0.591 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.985 -28.360 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.702 -26.260 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.684 -26.989 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.257 -27.127 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.856 -27.688 -4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.417 -28.616 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.950 -29.458 -4.063 1.00 0.00 H new ATOM 1347 N TRP A 90 -2.215 -31.756 -2.150 1.00 0.00 N ATOM 1348 CA TRP A 90 -2.214 -32.963 -2.969 1.00 0.00 C ATOM 1349 C TRP A 90 -3.405 -32.977 -3.921 1.00 0.00 C ATOM 1350 O TRP A 90 -4.547 -32.780 -3.504 1.00 0.00 O ATOM 1351 CB TRP A 90 -2.242 -34.207 -2.079 1.00 0.00 C ATOM 1352 CG TRP A 90 -1.249 -34.158 -0.957 1.00 0.00 C ATOM 1353 CD1 TRP A 90 -1.219 -33.259 0.071 1.00 0.00 C ATOM 1354 CD2 TRP A 90 -0.142 -35.042 -0.752 1.00 0.00 C ATOM 1355 NE1 TRP A 90 -0.160 -33.533 0.903 1.00 0.00 N ATOM 1356 CE2 TRP A 90 0.515 -34.622 0.420 1.00 0.00 C ATOM 1357 CE3 TRP A 90 0.356 -36.150 -1.444 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 1.644 -35.271 0.913 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 1.477 -36.792 -0.954 1.00 0.00 C ATOM 1360 CH2 TRP A 90 2.111 -36.352 0.216 1.00 0.00 C ATOM 0 H TRP A 90 -2.976 -31.706 -1.473 1.00 0.00 H new ATOM 0 HA TRP A 90 -1.300 -32.969 -3.562 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -3.243 -34.325 -1.664 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -2.045 -35.087 -2.691 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.923 -32.452 0.209 1.00 0.00 H new ATOM 0 HE1 TRP A 90 0.084 -33.010 1.744 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -0.127 -36.498 -2.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 2.134 -34.933 1.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 1.872 -37.648 -1.482 1.00 0.00 H new ATOM 0 HH2 TRP A 90 2.985 -36.876 0.574 1.00 0.00 H new ATOM 1371 N HIS A 91 -3.132 -33.210 -5.200 1.00 0.00 N ATOM 1372 CA HIS A 91 -4.183 -33.250 -6.211 1.00 0.00 C ATOM 1373 C HIS A 91 -5.422 -33.963 -5.679 1.00 0.00 C ATOM 1374 O HIS A 91 -5.318 -34.943 -4.940 1.00 0.00 O ATOM 1375 CB HIS A 91 -3.679 -33.951 -7.473 1.00 0.00 C ATOM 1376 CG HIS A 91 -2.752 -33.111 -8.296 1.00 0.00 C ATOM 1377 ND1 HIS A 91 -1.529 -33.560 -8.746 1.00 0.00 N ATOM 1378 CD2 HIS A 91 -2.876 -31.842 -8.751 1.00 0.00 C ATOM 1379 CE1 HIS A 91 -0.939 -32.603 -9.441 1.00 0.00 C ATOM 1380 NE2 HIS A 91 -1.737 -31.550 -9.460 1.00 0.00 N ATOM 0 H HIS A 91 -2.192 -33.374 -5.562 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.455 -32.224 -6.458 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -3.167 -34.870 -7.188 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -4.534 -34.239 -8.084 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.715 -31.182 -8.587 1.00 0.00 H new ATOM 0 HE1 HIS A 91 0.030 -32.670 -9.913 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.539 -30.664 -9.926 1.00 0.00 H new ATOM 1388 N LYS A 92 -6.594 -33.466 -6.059 1.00 0.00 N ATOM 1389 CA LYS A 92 -7.854 -34.054 -5.621 1.00 0.00 C ATOM 1390 C LYS A 92 -7.746 -35.574 -5.541 1.00 0.00 C ATOM 1391 O LYS A 92 -8.320 -36.200 -4.650 1.00 0.00 O ATOM 1392 CB LYS A 92 -8.983 -33.663 -6.576 1.00 0.00 C ATOM 1393 CG LYS A 92 -10.363 -33.727 -5.945 1.00 0.00 C ATOM 1394 CD LYS A 92 -10.550 -32.638 -4.902 1.00 0.00 C ATOM 1395 CE LYS A 92 -11.920 -32.725 -4.245 1.00 0.00 C ATOM 1396 NZ LYS A 92 -12.111 -31.663 -3.219 1.00 0.00 N ATOM 0 H LYS A 92 -6.697 -32.656 -6.670 1.00 0.00 H new ATOM 0 HA LYS A 92 -8.079 -33.670 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -8.806 -32.651 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -8.958 -34.322 -7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.123 -33.625 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -10.508 -34.703 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.774 -32.724 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.431 -31.661 -5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -12.694 -32.637 -5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.039 -33.704 -3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.056 -31.756 -2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.388 -31.762 -2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.023 -30.728 -3.666 1.00 0.00 H new ATOM 1410 N ASP A 93 -7.005 -36.160 -6.475 1.00 0.00 N ATOM 1411 CA ASP A 93 -6.819 -37.606 -6.508 1.00 0.00 C ATOM 1412 C ASP A 93 -5.716 -38.034 -5.546 1.00 0.00 C ATOM 1413 O ASP A 93 -5.948 -38.826 -4.632 1.00 0.00 O ATOM 1414 CB ASP A 93 -6.482 -38.065 -7.928 1.00 0.00 C ATOM 1415 CG ASP A 93 -7.598 -37.772 -8.912 1.00 0.00 C ATOM 1416 OD1 ASP A 93 -7.812 -36.583 -9.229 1.00 0.00 O ATOM 1417 OD2 ASP A 93 -8.256 -38.732 -9.365 1.00 0.00 O ATOM 0 H ASP A 93 -6.523 -35.656 -7.219 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.751 -38.075 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.570 -37.569 -8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.279 -39.136 -7.922 1.00 0.00 H new ATOM 1422 N CYS A 94 -4.515 -37.507 -5.758 1.00 0.00 N ATOM 1423 CA CYS A 94 -3.375 -37.835 -4.911 1.00 0.00 C ATOM 1424 C CYS A 94 -3.788 -37.899 -3.444 1.00 0.00 C ATOM 1425 O CYS A 94 -3.430 -38.835 -2.727 1.00 0.00 O ATOM 1426 CB CYS A 94 -2.262 -36.801 -5.095 1.00 0.00 C ATOM 1427 SG CYS A 94 -1.361 -36.949 -6.671 1.00 0.00 S ATOM 0 H CYS A 94 -4.306 -36.850 -6.510 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.003 -38.816 -5.208 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -2.694 -35.802 -5.028 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.553 -36.897 -4.273 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.593 -35.912 -6.831 1.00 0.00 H new ATOM 1432 N PHE A 95 -4.543 -36.899 -3.003 1.00 0.00 N ATOM 1433 CA PHE A 95 -5.005 -36.841 -1.621 1.00 0.00 C ATOM 1434 C PHE A 95 -5.845 -38.067 -1.276 1.00 0.00 C ATOM 1435 O PHE A 95 -6.377 -38.737 -2.161 1.00 0.00 O ATOM 1436 CB PHE A 95 -5.821 -35.568 -1.386 1.00 0.00 C ATOM 1437 CG PHE A 95 -5.869 -35.144 0.054 1.00 0.00 C ATOM 1438 CD1 PHE A 95 -4.709 -34.797 0.727 1.00 0.00 C ATOM 1439 CD2 PHE A 95 -7.075 -35.091 0.734 1.00 0.00 C ATOM 1440 CE1 PHE A 95 -4.751 -34.408 2.052 1.00 0.00 C ATOM 1441 CE2 PHE A 95 -7.123 -34.702 2.059 1.00 0.00 C ATOM 1442 CZ PHE A 95 -5.960 -34.359 2.719 1.00 0.00 C ATOM 0 H PHE A 95 -4.848 -36.117 -3.583 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.129 -36.828 -0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.397 -34.759 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.838 -35.727 -1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.761 -34.831 0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -7.988 -35.357 0.222 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.839 -34.142 2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.070 -34.666 2.578 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.995 -34.053 3.754 1.00 0.00 H new