USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 827 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD Set 1.1: A 9 TYR OH : rot -16:sc= 0.464 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.293 K(o=0.76,f=-0.36) USER MOD Set 2.1: A 55 SER OG : rot -179:sc= 0.287 USER MOD Set 2.2: A 59 LYS NZ :NH3+ -146:sc= 1.67 (180deg=1.65) USER MOD Set 3.1: A 32 SER OG : rot -140:sc= 0.475 USER MOD Set 3.2: A 99 GLN : amide:sc= 0.518 K(o=0.99,f=-0.63!) USER MOD Set 4.1: A 20 SER OG : rot -77:sc= 0.415 USER MOD Set 4.2: A 27 SER OG : rot 180:sc= 0.394 USER MOD Set 5.1: A 16 SER OG : rot 180:sc= 0.633 USER MOD Set 5.2: A 30 LYS NZ :NH3+ 168:sc= 0.708 (180deg=0) USER MOD Set 6.1: A 1 MET N :NH3+ -179:sc= 0.624 (180deg=-0.00274) USER MOD Set 6.2: A 4 SER OG : rot -130:sc= 0.57 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 1.31 (180deg=1.22) USER MOD Single : A 13 TYR OH : rot 2:sc= 1.87 USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= 2.15 (180deg=1.52) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -155:sc= -0.213 (180deg=-1.62) USER MOD Single : A 38 MET CE :methyl 156:sc= -1.22 (180deg=-2.68!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 41 SER OG : rot 180:sc= 0.682 USER MOD Single : A 43 MET CE :methyl -116:sc= -0.0097 (180deg=-0.145) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 1.75 (180deg=1.73) USER MOD Single : A 50 HIS : no HD1:sc= -0.0335 X(o=-0.034,f=-0.48) USER MOD Single : A 52 TYR OH : rot 14:sc= 0.389 USER MOD Single : A 63 SER OG : rot 180:sc= 0.263 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.263 F(o=-0.85,f=-0.26) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.04 K(o=1,f=-0.33) USER MOD Single : A 83 GLN : amide:sc=-0.00429 X(o=-0.0043,f=-0.0043) USER MOD Single : A 84 LYS NZ :NH3+ 171:sc= 1.2 (180deg=1.02) USER MOD Single : A 86 LYS NZ :NH3+ 165:sc= 1.21 (180deg=1.11) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -175:sc= 2.13 (180deg=2.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.144 1.816 18.950 1.00 0.00 N ATOM 2 CA MET A 1 1.011 1.770 19.913 1.00 0.00 C ATOM 3 C MET A 1 0.549 0.321 20.115 1.00 0.00 C ATOM 4 O MET A 1 1.081 -0.599 19.489 1.00 0.00 O ATOM 5 CB MET A 1 -0.163 2.674 19.465 1.00 0.00 C ATOM 6 CG MET A 1 0.198 4.164 19.382 1.00 0.00 C ATOM 7 SD MET A 1 0.872 4.871 20.914 1.00 0.00 S ATOM 8 CE MET A 1 1.037 6.604 20.402 1.00 0.00 C ATOM 0 H1 MET A 1 2.461 2.800 18.833 1.00 0.00 H new ATOM 0 H2 MET A 1 2.931 1.240 19.312 1.00 0.00 H new ATOM 0 H3 MET A 1 1.834 1.441 18.031 1.00 0.00 H new ATOM 0 HA MET A 1 1.364 2.161 20.867 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.514 2.340 18.489 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.992 2.549 20.162 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.926 4.303 18.583 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.694 4.724 19.101 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.441 7.190 21.227 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.711 6.668 19.547 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.059 6.996 20.123 1.00 0.00 H new ATOM 20 N ALA A 2 -0.431 0.085 20.995 1.00 0.00 N ATOM 21 CA ALA A 2 -1.032 -1.238 21.179 1.00 0.00 C ATOM 22 C ALA A 2 -1.722 -1.724 19.885 1.00 0.00 C ATOM 23 O ALA A 2 -2.538 -1.012 19.296 1.00 0.00 O ATOM 24 CB ALA A 2 -2.003 -1.188 22.365 1.00 0.00 C ATOM 0 H ALA A 2 -0.828 0.806 21.598 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.250 -1.964 21.401 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.454 -2.170 22.508 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.461 -0.903 23.267 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.785 -0.455 22.165 1.00 0.00 H new ATOM 30 N GLU A 3 -1.389 -2.943 19.451 1.00 0.00 N ATOM 31 CA GLU A 3 -1.928 -3.623 18.259 1.00 0.00 C ATOM 32 C GLU A 3 -1.816 -2.843 16.930 1.00 0.00 C ATOM 33 O GLU A 3 -2.594 -3.050 15.995 1.00 0.00 O ATOM 34 CB GLU A 3 -3.342 -4.182 18.538 1.00 0.00 C ATOM 35 CG GLU A 3 -3.470 -5.021 19.821 1.00 0.00 C ATOM 36 CD GLU A 3 -2.523 -6.237 19.828 1.00 0.00 C ATOM 37 OE1 GLU A 3 -2.907 -7.315 19.312 1.00 0.00 O ATOM 38 OE2 GLU A 3 -1.390 -6.126 20.357 1.00 0.00 O ATOM 0 H GLU A 3 -0.702 -3.515 19.943 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.262 -4.467 18.079 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.041 -3.347 18.597 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.648 -4.794 17.690 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.255 -4.392 20.685 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.499 -5.365 19.925 1.00 0.00 H new ATOM 45 N SER A 4 -0.792 -1.991 16.809 1.00 0.00 N ATOM 46 CA SER A 4 -0.458 -1.221 15.599 1.00 0.00 C ATOM 47 C SER A 4 -0.299 -2.063 14.319 1.00 0.00 C ATOM 48 O SER A 4 -0.542 -1.549 13.227 1.00 0.00 O ATOM 49 CB SER A 4 0.863 -0.491 15.850 1.00 0.00 C ATOM 50 OG SER A 4 0.659 0.649 16.674 1.00 0.00 O ATOM 0 H SER A 4 -0.147 -1.810 17.578 1.00 0.00 H new ATOM 0 HA SER A 4 -1.298 -0.549 15.423 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.573 -1.167 16.326 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.301 -0.185 14.900 1.00 0.00 H new ATOM 0 HG SER A 4 1.084 1.430 16.263 1.00 0.00 H new ATOM 56 N SER A 5 0.064 -3.346 14.440 1.00 0.00 N ATOM 57 CA SER A 5 0.269 -4.279 13.313 1.00 0.00 C ATOM 58 C SER A 5 -0.764 -5.407 13.240 1.00 0.00 C ATOM 59 O SER A 5 -0.568 -6.394 12.527 1.00 0.00 O ATOM 60 CB SER A 5 1.711 -4.807 13.290 1.00 0.00 C ATOM 61 OG SER A 5 2.652 -3.745 13.359 1.00 0.00 O ATOM 0 H SER A 5 0.229 -3.781 15.348 1.00 0.00 H new ATOM 0 HA SER A 5 0.106 -3.697 12.406 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.865 -5.487 14.128 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.875 -5.382 12.379 1.00 0.00 H new ATOM 0 HG SER A 5 3.561 -4.112 13.344 1.00 0.00 H new ATOM 67 N ASP A 6 -1.909 -5.255 13.914 1.00 0.00 N ATOM 68 CA ASP A 6 -3.040 -6.191 13.835 1.00 0.00 C ATOM 69 C ASP A 6 -3.972 -5.918 12.628 1.00 0.00 C ATOM 70 O ASP A 6 -5.200 -5.982 12.717 1.00 0.00 O ATOM 71 CB ASP A 6 -3.759 -6.261 15.192 1.00 0.00 C ATOM 72 CG ASP A 6 -4.749 -7.439 15.287 1.00 0.00 C ATOM 73 OD1 ASP A 6 -4.405 -8.562 14.843 1.00 0.00 O ATOM 74 OD2 ASP A 6 -5.861 -7.259 15.842 1.00 0.00 O ATOM 0 H ASP A 6 -2.080 -4.468 14.539 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.650 -7.188 13.631 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.018 -6.351 15.986 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.296 -5.328 15.362 1.00 0.00 H new ATOM 79 N LYS A 7 -3.360 -5.579 11.487 1.00 0.00 N ATOM 80 CA LYS A 7 -3.970 -5.351 10.173 1.00 0.00 C ATOM 81 C LYS A 7 -3.441 -6.391 9.190 1.00 0.00 C ATOM 82 O LYS A 7 -2.642 -7.259 9.551 1.00 0.00 O ATOM 83 CB LYS A 7 -3.709 -3.895 9.720 1.00 0.00 C ATOM 84 CG LYS A 7 -4.301 -2.836 10.670 1.00 0.00 C ATOM 85 CD LYS A 7 -3.274 -2.332 11.696 1.00 0.00 C ATOM 86 CE LYS A 7 -3.885 -1.407 12.758 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.293 -0.090 12.205 1.00 0.00 N ATOM 0 H LYS A 7 -2.349 -5.447 11.457 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.052 -5.472 10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.634 -3.736 9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.129 -3.753 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.671 -1.993 10.086 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.157 -3.260 11.195 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.814 -3.188 12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.479 -1.800 11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.753 -1.894 13.203 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.162 -1.252 13.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.636 0.519 12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.477 0.361 11.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.052 -0.226 11.508 1.00 0.00 H new ATOM 101 N LEU A 8 -3.872 -6.279 7.941 1.00 0.00 N ATOM 102 CA LEU A 8 -3.323 -7.013 6.800 1.00 0.00 C ATOM 103 C LEU A 8 -2.537 -6.099 5.873 1.00 0.00 C ATOM 104 O LEU A 8 -1.657 -6.589 5.172 1.00 0.00 O ATOM 105 CB LEU A 8 -4.489 -7.615 6.002 1.00 0.00 C ATOM 106 CG LEU A 8 -5.476 -8.494 6.781 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.652 -8.800 5.861 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.820 -9.789 7.253 1.00 0.00 C ATOM 0 H LEU A 8 -4.637 -5.656 7.682 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.653 -7.784 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.048 -6.797 5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.073 -8.209 5.188 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.811 -7.965 7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.373 -9.425 6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.131 -7.868 5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.294 -9.326 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.548 -10.387 7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.464 -10.352 6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.979 -9.554 7.905 1.00 0.00 H new ATOM 120 N TYR A 9 -2.839 -4.800 5.848 1.00 0.00 N ATOM 121 CA TYR A 9 -2.432 -3.918 4.758 1.00 0.00 C ATOM 122 C TYR A 9 -1.940 -2.579 5.316 1.00 0.00 C ATOM 123 O TYR A 9 -2.358 -2.144 6.390 1.00 0.00 O ATOM 124 CB TYR A 9 -3.604 -3.741 3.767 1.00 0.00 C ATOM 125 CG TYR A 9 -4.305 -5.005 3.285 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.559 -6.112 2.844 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.712 -5.080 3.284 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.197 -7.308 2.473 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.361 -6.274 2.911 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.603 -7.403 2.526 1.00 0.00 C ATOM 131 OH TYR A 9 -6.217 -8.584 2.232 1.00 0.00 O ATOM 0 H TYR A 9 -3.371 -4.333 6.582 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.600 -4.365 4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.350 -3.099 4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.230 -3.208 2.893 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.483 -6.042 2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.296 -4.218 3.571 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.610 -8.154 2.147 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.440 -6.326 2.919 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.587 -9.173 1.767 1.00 0.00 H new ATOM 141 N ARG A 10 -1.051 -1.917 4.579 1.00 0.00 N ATOM 142 CA ARG A 10 -0.466 -0.609 4.897 1.00 0.00 C ATOM 143 C ARG A 10 -0.376 0.225 3.616 1.00 0.00 C ATOM 144 O ARG A 10 -0.109 -0.330 2.554 1.00 0.00 O ATOM 145 CB ARG A 10 0.887 -0.829 5.616 1.00 0.00 C ATOM 146 CG ARG A 10 1.940 0.297 5.531 1.00 0.00 C ATOM 147 CD ARG A 10 1.563 1.595 6.266 1.00 0.00 C ATOM 148 NE ARG A 10 1.611 1.461 7.736 1.00 0.00 N ATOM 149 CZ ARG A 10 2.606 1.736 8.561 1.00 0.00 C ATOM 150 NH1 ARG A 10 3.737 2.273 8.204 1.00 0.00 N ATOM 151 NH2 ARG A 10 2.449 1.470 9.821 1.00 0.00 N ATOM 0 H ARG A 10 -0.699 -2.294 3.699 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.090 -0.038 5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.680 -1.015 6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.336 -1.738 5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.880 -0.074 5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.117 0.530 4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.241 2.391 5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.559 1.897 5.967 1.00 0.00 H new ATOM 0 HE ARG A 10 0.760 1.108 8.174 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.902 2.512 7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.458 2.455 8.902 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.575 1.060 10.151 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.199 1.671 10.482 1.00 0.00 H new ATOM 165 N VAL A 11 -0.592 1.535 3.706 1.00 0.00 N ATOM 166 CA VAL A 11 -0.374 2.525 2.635 1.00 0.00 C ATOM 167 C VAL A 11 0.230 3.805 3.216 1.00 0.00 C ATOM 168 O VAL A 11 -0.123 4.207 4.324 1.00 0.00 O ATOM 169 CB VAL A 11 -1.698 2.801 1.898 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.668 3.708 2.667 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.461 3.472 0.540 1.00 0.00 C ATOM 0 H VAL A 11 -0.940 1.963 4.564 1.00 0.00 H new ATOM 0 HA VAL A 11 0.335 2.126 1.909 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.143 1.812 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.575 3.852 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.923 3.243 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.196 4.674 2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.418 3.651 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.946 4.421 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.849 2.822 -0.085 1.00 0.00 H new ATOM 181 N GLU A 12 1.156 4.440 2.500 1.00 0.00 N ATOM 182 CA GLU A 12 1.803 5.687 2.916 1.00 0.00 C ATOM 183 C GLU A 12 2.587 6.318 1.763 1.00 0.00 C ATOM 184 O GLU A 12 2.904 5.670 0.763 1.00 0.00 O ATOM 185 CB GLU A 12 2.748 5.452 4.115 1.00 0.00 C ATOM 186 CG GLU A 12 3.851 4.418 3.864 1.00 0.00 C ATOM 187 CD GLU A 12 4.822 4.384 5.048 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.408 3.978 6.156 1.00 0.00 O ATOM 189 OE2 GLU A 12 5.996 4.791 4.870 1.00 0.00 O ATOM 0 H GLU A 12 1.485 4.097 1.597 1.00 0.00 H new ATOM 0 HA GLU A 12 1.011 6.372 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.212 6.400 4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.155 5.131 4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.409 3.432 3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.390 4.665 2.949 1.00 0.00 H new ATOM 196 N TYR A 13 2.952 7.584 1.937 1.00 0.00 N ATOM 197 CA TYR A 13 3.950 8.240 1.102 1.00 0.00 C ATOM 198 C TYR A 13 5.374 7.839 1.510 1.00 0.00 C ATOM 199 O TYR A 13 5.675 7.692 2.698 1.00 0.00 O ATOM 200 CB TYR A 13 3.747 9.753 1.172 1.00 0.00 C ATOM 201 CG TYR A 13 2.330 10.203 0.867 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.733 9.870 -0.364 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.612 10.957 1.815 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.464 10.384 -0.693 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.338 11.463 1.495 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.227 11.200 0.228 1.00 0.00 C ATOM 207 OH TYR A 13 -1.436 11.731 -0.091 1.00 0.00 O ATOM 0 H TYR A 13 2.562 8.185 2.663 1.00 0.00 H new ATOM 0 HA TYR A 13 3.821 7.915 0.070 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.020 10.100 2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.428 10.233 0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.248 9.220 -1.056 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.039 11.147 2.789 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.020 10.154 -1.650 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.207 12.052 2.218 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.702 11.427 -0.984 1.00 0.00 H new ATOM 217 N ALA A 14 6.265 7.681 0.535 1.00 0.00 N ATOM 218 CA ALA A 14 7.656 7.290 0.738 1.00 0.00 C ATOM 219 C ALA A 14 8.549 8.502 1.071 1.00 0.00 C ATOM 220 O ALA A 14 8.774 9.369 0.223 1.00 0.00 O ATOM 221 CB ALA A 14 8.115 6.550 -0.523 1.00 0.00 C ATOM 0 H ALA A 14 6.032 7.826 -0.447 1.00 0.00 H new ATOM 0 HA ALA A 14 7.742 6.629 1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.154 6.242 -0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.491 5.670 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.027 7.211 -1.385 1.00 0.00 H new ATOM 227 N LYS A 15 9.096 8.546 2.295 1.00 0.00 N ATOM 228 CA LYS A 15 9.990 9.628 2.768 1.00 0.00 C ATOM 229 C LYS A 15 11.397 9.546 2.155 1.00 0.00 C ATOM 230 O LYS A 15 12.044 10.571 1.948 1.00 0.00 O ATOM 231 CB LYS A 15 10.088 9.618 4.310 1.00 0.00 C ATOM 232 CG LYS A 15 8.911 10.279 5.055 1.00 0.00 C ATOM 233 CD LYS A 15 7.550 9.571 4.974 1.00 0.00 C ATOM 234 CE LYS A 15 7.582 8.154 5.567 1.00 0.00 C ATOM 235 NZ LYS A 15 6.261 7.492 5.436 1.00 0.00 N ATOM 0 H LYS A 15 8.931 7.825 2.997 1.00 0.00 H new ATOM 0 HA LYS A 15 9.545 10.566 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.172 8.584 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.009 10.123 4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.184 10.370 6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.790 11.291 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.804 10.165 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.235 9.517 3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.342 7.561 5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.866 8.202 6.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.381 6.461 5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.633 7.817 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.842 7.733 4.515 1.00 0.00 H new ATOM 249 N SER A 16 11.868 8.332 1.866 1.00 0.00 N ATOM 250 CA SER A 16 13.163 8.029 1.246 1.00 0.00 C ATOM 251 C SER A 16 13.170 6.611 0.654 1.00 0.00 C ATOM 252 O SER A 16 12.314 5.786 0.984 1.00 0.00 O ATOM 253 CB SER A 16 14.307 8.198 2.250 1.00 0.00 C ATOM 254 OG SER A 16 15.494 8.461 1.518 1.00 0.00 O ATOM 0 H SER A 16 11.330 7.489 2.068 1.00 0.00 H new ATOM 0 HA SER A 16 13.317 8.739 0.434 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.093 9.016 2.938 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.422 7.297 2.853 1.00 0.00 H new ATOM 0 HG SER A 16 16.243 8.575 2.139 1.00 0.00 H new ATOM 260 N GLY A 17 14.143 6.315 -0.211 1.00 0.00 N ATOM 261 CA GLY A 17 14.252 5.072 -0.993 1.00 0.00 C ATOM 262 C GLY A 17 14.724 3.830 -0.220 1.00 0.00 C ATOM 263 O GLY A 17 15.386 2.966 -0.798 1.00 0.00 O ATOM 0 H GLY A 17 14.911 6.960 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.278 4.855 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.941 5.245 -1.819 1.00 0.00 H new ATOM 267 N ARG A 18 14.442 3.751 1.088 1.00 0.00 N ATOM 268 CA ARG A 18 14.910 2.680 1.994 1.00 0.00 C ATOM 269 C ARG A 18 14.093 1.383 1.901 1.00 0.00 C ATOM 270 O ARG A 18 14.580 0.333 2.322 1.00 0.00 O ATOM 271 CB ARG A 18 14.942 3.205 3.443 1.00 0.00 C ATOM 272 CG ARG A 18 15.875 4.407 3.678 1.00 0.00 C ATOM 273 CD ARG A 18 17.348 4.094 3.375 1.00 0.00 C ATOM 274 NE ARG A 18 18.226 5.236 3.705 1.00 0.00 N ATOM 275 CZ ARG A 18 18.777 5.514 4.875 1.00 0.00 C ATOM 276 NH1 ARG A 18 18.582 4.778 5.933 1.00 0.00 N ATOM 277 NH2 ARG A 18 19.546 6.557 5.007 1.00 0.00 N ATOM 0 H ARG A 18 13.867 4.447 1.563 1.00 0.00 H new ATOM 0 HA ARG A 18 15.916 2.412 1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.930 3.487 3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.248 2.392 4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.550 5.239 3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.785 4.733 4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.659 3.219 3.945 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.458 3.843 2.320 1.00 0.00 H new ATOM 0 HE ARG A 18 18.430 5.884 2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.985 3.953 5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.026 5.028 6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.725 7.163 4.206 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.969 6.768 5.911 1.00 0.00 H new ATOM 291 N ALA A 19 12.879 1.442 1.348 1.00 0.00 N ATOM 292 CA ALA A 19 12.027 0.278 1.097 1.00 0.00 C ATOM 293 C ALA A 19 12.216 -0.281 -0.328 1.00 0.00 C ATOM 294 O ALA A 19 12.452 0.466 -1.284 1.00 0.00 O ATOM 295 CB ALA A 19 10.568 0.644 1.392 1.00 0.00 C ATOM 0 H ALA A 19 12.452 2.321 1.056 1.00 0.00 H new ATOM 0 HA ALA A 19 12.324 -0.527 1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.931 -0.221 1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.473 0.947 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.261 1.466 0.745 1.00 0.00 H new ATOM 301 N SER A 20 12.056 -1.599 -0.469 1.00 0.00 N ATOM 302 CA SER A 20 12.239 -2.334 -1.729 1.00 0.00 C ATOM 303 C SER A 20 11.025 -3.208 -2.027 1.00 0.00 C ATOM 304 O SER A 20 10.406 -3.745 -1.106 1.00 0.00 O ATOM 305 CB SER A 20 13.516 -3.183 -1.708 1.00 0.00 C ATOM 306 OG SER A 20 14.672 -2.370 -1.585 1.00 0.00 O ATOM 0 H SER A 20 11.789 -2.203 0.308 1.00 0.00 H new ATOM 0 HA SER A 20 12.342 -1.596 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.474 -3.887 -0.877 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.579 -3.773 -2.623 1.00 0.00 H new ATOM 0 HG SER A 20 14.874 -1.956 -2.450 1.00 0.00 H new ATOM 312 N CYS A 21 10.682 -3.341 -3.309 1.00 0.00 N ATOM 313 CA CYS A 21 9.461 -3.997 -3.758 1.00 0.00 C ATOM 314 C CYS A 21 9.561 -5.525 -3.628 1.00 0.00 C ATOM 315 O CYS A 21 10.311 -6.189 -4.349 1.00 0.00 O ATOM 316 CB CYS A 21 9.161 -3.523 -5.182 1.00 0.00 C ATOM 317 SG CYS A 21 7.506 -4.083 -5.734 1.00 0.00 S ATOM 0 H CYS A 21 11.257 -2.989 -4.074 1.00 0.00 H new ATOM 0 HA CYS A 21 8.622 -3.719 -3.120 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.212 -2.435 -5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.922 -3.904 -5.863 1.00 0.00 H new ATOM 322 N LYS A 22 8.773 -6.096 -2.714 1.00 0.00 N ATOM 323 CA LYS A 22 8.663 -7.544 -2.479 1.00 0.00 C ATOM 324 C LYS A 22 7.922 -8.284 -3.601 1.00 0.00 C ATOM 325 O LYS A 22 7.929 -9.517 -3.614 1.00 0.00 O ATOM 326 CB LYS A 22 7.976 -7.789 -1.119 1.00 0.00 C ATOM 327 CG LYS A 22 8.752 -7.266 0.104 1.00 0.00 C ATOM 328 CD LYS A 22 10.138 -7.888 0.307 1.00 0.00 C ATOM 329 CE LYS A 22 10.068 -9.409 0.502 1.00 0.00 C ATOM 330 NZ LYS A 22 11.411 -9.988 0.773 1.00 0.00 N ATOM 0 H LYS A 22 8.174 -5.549 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 22 9.674 -7.951 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.993 -7.319 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.815 -8.860 -0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.866 -6.186 0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.155 -7.446 0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.765 -7.662 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.615 -7.434 1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.398 -9.640 1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.645 -9.872 -0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.326 -11.017 0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.043 -9.789 -0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.804 -9.564 1.638 1.00 0.00 H new ATOM 344 N LYS A 23 7.292 -7.552 -4.532 1.00 0.00 N ATOM 345 CA LYS A 23 6.488 -8.110 -5.634 1.00 0.00 C ATOM 346 C LYS A 23 7.209 -8.089 -6.992 1.00 0.00 C ATOM 347 O LYS A 23 7.284 -9.148 -7.618 1.00 0.00 O ATOM 348 CB LYS A 23 5.098 -7.444 -5.649 1.00 0.00 C ATOM 349 CG LYS A 23 4.188 -7.915 -6.802 1.00 0.00 C ATOM 350 CD LYS A 23 3.959 -9.438 -6.858 1.00 0.00 C ATOM 351 CE LYS A 23 3.082 -9.801 -8.060 1.00 0.00 C ATOM 352 NZ LYS A 23 2.842 -11.266 -8.152 1.00 0.00 N ATOM 0 H LYS A 23 7.327 -6.533 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 23 6.343 -9.174 -5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.600 -7.646 -4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.225 -6.364 -5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.222 -7.419 -6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.624 -7.592 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.917 -9.954 -6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.483 -9.775 -5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.127 -9.281 -7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.560 -9.454 -8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.244 -11.469 -8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.751 -11.761 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.362 -11.594 -7.289 1.00 0.00 H new ATOM 366 N CYS A 24 7.757 -6.949 -7.436 1.00 0.00 N ATOM 367 CA CYS A 24 8.489 -6.850 -8.716 1.00 0.00 C ATOM 368 C CYS A 24 10.033 -6.805 -8.580 1.00 0.00 C ATOM 369 O CYS A 24 10.750 -6.745 -9.584 1.00 0.00 O ATOM 370 CB CYS A 24 7.852 -5.799 -9.651 1.00 0.00 C ATOM 371 SG CYS A 24 8.274 -4.055 -9.272 1.00 0.00 S ATOM 0 H CYS A 24 7.708 -6.069 -6.923 1.00 0.00 H new ATOM 0 HA CYS A 24 8.359 -7.801 -9.232 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.157 -6.015 -10.675 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.768 -5.910 -9.611 1.00 0.00 H new ATOM 376 N SER A 25 10.548 -6.935 -7.350 1.00 0.00 N ATOM 377 CA SER A 25 11.977 -7.082 -7.002 1.00 0.00 C ATOM 378 C SER A 25 12.881 -5.888 -7.369 1.00 0.00 C ATOM 379 O SER A 25 14.107 -6.017 -7.403 1.00 0.00 O ATOM 380 CB SER A 25 12.545 -8.424 -7.496 1.00 0.00 C ATOM 381 OG SER A 25 11.767 -9.517 -7.022 1.00 0.00 O ATOM 0 H SER A 25 9.951 -6.941 -6.523 1.00 0.00 H new ATOM 0 HA SER A 25 11.993 -7.084 -5.912 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.566 -8.434 -8.586 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.575 -8.533 -7.157 1.00 0.00 H new ATOM 0 HG SER A 25 12.148 -10.357 -7.352 1.00 0.00 H new ATOM 387 N GLU A 26 12.294 -4.713 -7.610 1.00 0.00 N ATOM 388 CA GLU A 26 12.996 -3.424 -7.732 1.00 0.00 C ATOM 389 C GLU A 26 12.952 -2.649 -6.393 1.00 0.00 C ATOM 390 O GLU A 26 12.649 -3.227 -5.347 1.00 0.00 O ATOM 391 CB GLU A 26 12.402 -2.621 -8.910 1.00 0.00 C ATOM 392 CG GLU A 26 12.451 -3.339 -10.271 1.00 0.00 C ATOM 393 CD GLU A 26 13.868 -3.782 -10.700 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.857 -3.059 -10.426 1.00 0.00 O ATOM 395 OE2 GLU A 26 14.002 -4.844 -11.357 1.00 0.00 O ATOM 0 H GLU A 26 11.285 -4.625 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 26 14.050 -3.596 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.364 -2.379 -8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.938 -1.676 -8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.805 -4.216 -10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.042 -2.677 -11.034 1.00 0.00 H new ATOM 402 N SER A 27 13.240 -1.343 -6.399 1.00 0.00 N ATOM 403 CA SER A 27 13.167 -0.472 -5.213 1.00 0.00 C ATOM 404 C SER A 27 12.208 0.704 -5.408 1.00 0.00 C ATOM 405 O SER A 27 11.853 1.062 -6.534 1.00 0.00 O ATOM 406 CB SER A 27 14.551 -0.027 -4.741 1.00 0.00 C ATOM 407 OG SER A 27 15.295 -1.144 -4.277 1.00 0.00 O ATOM 0 H SER A 27 13.536 -0.850 -7.241 1.00 0.00 H new ATOM 0 HA SER A 27 12.744 -1.076 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.083 0.459 -5.559 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.452 0.709 -3.943 1.00 0.00 H new ATOM 0 HG SER A 27 16.180 -0.847 -3.979 1.00 0.00 H new ATOM 413 N ILE A 28 11.694 1.239 -4.297 1.00 0.00 N ATOM 414 CA ILE A 28 10.539 2.144 -4.295 1.00 0.00 C ATOM 415 C ILE A 28 11.007 3.617 -4.288 1.00 0.00 C ATOM 416 O ILE A 28 11.788 3.992 -3.408 1.00 0.00 O ATOM 417 CB ILE A 28 9.597 1.809 -3.114 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.208 0.308 -3.112 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.327 2.679 -3.177 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.385 -0.120 -1.894 1.00 0.00 C ATOM 0 H ILE A 28 12.070 1.056 -3.367 1.00 0.00 H new ATOM 0 HA ILE A 28 9.964 2.001 -5.210 1.00 0.00 H new ATOM 0 HB ILE A 28 10.134 2.024 -2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.640 0.089 -4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.117 -0.292 -3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.675 2.432 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.604 3.732 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.803 2.490 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.153 -1.183 -1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.957 0.065 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.458 0.452 -1.862 1.00 0.00 H new ATOM 432 N PRO A 29 10.541 4.470 -5.225 1.00 0.00 N ATOM 433 CA PRO A 29 10.899 5.889 -5.266 1.00 0.00 C ATOM 434 C PRO A 29 10.382 6.683 -4.065 1.00 0.00 C ATOM 435 O PRO A 29 9.331 6.368 -3.502 1.00 0.00 O ATOM 436 CB PRO A 29 10.326 6.446 -6.569 1.00 0.00 C ATOM 437 CG PRO A 29 9.190 5.487 -6.900 1.00 0.00 C ATOM 438 CD PRO A 29 9.658 4.151 -6.335 1.00 0.00 C ATOM 0 HA PRO A 29 11.984 5.986 -5.221 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.965 7.467 -6.444 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.076 6.467 -7.360 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.253 5.806 -6.445 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.018 5.428 -7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.812 3.552 -6.000 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.181 3.568 -7.094 1.00 0.00 H new ATOM 446 N LYS A 30 11.098 7.755 -3.713 1.00 0.00 N ATOM 447 CA LYS A 30 10.690 8.724 -2.681 1.00 0.00 C ATOM 448 C LYS A 30 9.837 9.861 -3.258 1.00 0.00 C ATOM 449 O LYS A 30 9.837 10.103 -4.465 1.00 0.00 O ATOM 450 CB LYS A 30 11.911 9.186 -1.872 1.00 0.00 C ATOM 451 CG LYS A 30 12.892 10.082 -2.642 1.00 0.00 C ATOM 452 CD LYS A 30 14.223 10.290 -1.899 1.00 0.00 C ATOM 453 CE LYS A 30 14.066 11.167 -0.647 1.00 0.00 C ATOM 454 NZ LYS A 30 15.282 11.126 0.210 1.00 0.00 N ATOM 0 H LYS A 30 11.995 7.981 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 30 10.026 8.229 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.563 9.726 -0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.447 8.306 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.092 9.639 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.427 11.051 -2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.630 9.321 -1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.944 10.751 -2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.866 12.196 -0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.204 10.829 -0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.225 11.875 0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.345 10.200 0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.127 11.274 -0.378 1.00 0.00 H new ATOM 468 N ASP A 31 9.074 10.528 -2.391 1.00 0.00 N ATOM 469 CA ASP A 31 7.990 11.455 -2.761 1.00 0.00 C ATOM 470 C ASP A 31 6.959 10.808 -3.721 1.00 0.00 C ATOM 471 O ASP A 31 6.502 11.406 -4.697 1.00 0.00 O ATOM 472 CB ASP A 31 8.569 12.808 -3.218 1.00 0.00 C ATOM 473 CG ASP A 31 7.497 13.906 -3.332 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.767 14.149 -2.343 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.399 14.545 -4.408 1.00 0.00 O ATOM 0 H ASP A 31 9.192 10.439 -1.382 1.00 0.00 H new ATOM 0 HA ASP A 31 7.395 11.679 -1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.336 13.127 -2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.058 12.682 -4.184 1.00 0.00 H new ATOM 480 N SER A 32 6.621 9.543 -3.449 1.00 0.00 N ATOM 481 CA SER A 32 5.667 8.709 -4.194 1.00 0.00 C ATOM 482 C SER A 32 4.805 7.886 -3.223 1.00 0.00 C ATOM 483 O SER A 32 5.037 7.915 -2.013 1.00 0.00 O ATOM 484 CB SER A 32 6.429 7.795 -5.160 1.00 0.00 C ATOM 485 OG SER A 32 5.524 7.203 -6.081 1.00 0.00 O ATOM 0 H SER A 32 7.028 9.044 -2.658 1.00 0.00 H new ATOM 0 HA SER A 32 5.002 9.350 -4.772 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.185 8.368 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.954 7.019 -4.603 1.00 0.00 H new ATOM 0 HG SER A 32 5.776 6.268 -6.232 1.00 0.00 H new ATOM 491 N LEU A 33 3.810 7.155 -3.727 1.00 0.00 N ATOM 492 CA LEU A 33 2.865 6.358 -2.942 1.00 0.00 C ATOM 493 C LEU A 33 3.274 4.875 -2.941 1.00 0.00 C ATOM 494 O LEU A 33 3.618 4.317 -3.988 1.00 0.00 O ATOM 495 CB LEU A 33 1.453 6.589 -3.516 1.00 0.00 C ATOM 496 CG LEU A 33 0.317 5.933 -2.710 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.100 6.612 -1.358 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.997 6.028 -3.482 1.00 0.00 C ATOM 0 H LEU A 33 3.633 7.099 -4.730 1.00 0.00 H new ATOM 0 HA LEU A 33 2.870 6.669 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.269 7.662 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.423 6.208 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 33 0.611 4.896 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.711 6.114 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.014 6.548 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.158 7.659 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.794 5.561 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.242 7.076 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.895 5.515 -4.438 1.00 0.00 H new ATOM 510 N ARG A 34 3.207 4.225 -1.774 1.00 0.00 N ATOM 511 CA ARG A 34 3.565 2.814 -1.573 1.00 0.00 C ATOM 512 C ARG A 34 2.578 2.103 -0.654 1.00 0.00 C ATOM 513 O ARG A 34 1.894 2.732 0.152 1.00 0.00 O ATOM 514 CB ARG A 34 5.023 2.695 -1.087 1.00 0.00 C ATOM 515 CG ARG A 34 5.321 3.303 0.295 1.00 0.00 C ATOM 516 CD ARG A 34 6.786 3.051 0.680 1.00 0.00 C ATOM 517 NE ARG A 34 7.120 3.635 1.995 1.00 0.00 N ATOM 518 CZ ARG A 34 8.309 4.007 2.430 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.375 3.979 1.679 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.437 4.449 3.643 1.00 0.00 N ATOM 0 H ARG A 34 2.893 4.679 -0.916 1.00 0.00 H new ATOM 0 HA ARG A 34 3.498 2.302 -2.533 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.293 1.639 -1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.671 3.174 -1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.120 4.374 0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.660 2.865 1.043 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.976 1.978 0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.439 3.476 -0.082 1.00 0.00 H new ATOM 0 HE ARG A 34 6.342 3.766 2.641 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.310 3.660 0.712 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.274 4.276 2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.622 4.507 4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.353 4.738 3.986 1.00 0.00 H new ATOM 534 N MET A 35 2.526 0.785 -0.783 1.00 0.00 N ATOM 535 CA MET A 35 1.722 -0.132 0.020 1.00 0.00 C ATOM 536 C MET A 35 2.589 -1.254 0.592 1.00 0.00 C ATOM 537 O MET A 35 3.719 -1.482 0.160 1.00 0.00 O ATOM 538 CB MET A 35 0.529 -0.680 -0.785 1.00 0.00 C ATOM 539 CG MET A 35 -0.566 0.371 -0.991 1.00 0.00 C ATOM 540 SD MET A 35 -2.068 -0.191 -1.845 1.00 0.00 S ATOM 541 CE MET A 35 -3.045 -0.856 -0.463 1.00 0.00 C ATOM 0 H MET A 35 3.074 0.297 -1.491 1.00 0.00 H new ATOM 0 HA MET A 35 1.309 0.424 0.861 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.879 -1.031 -1.756 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.109 -1.542 -0.267 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.853 0.762 -0.015 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.142 1.202 -1.555 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.744 -1.604 -0.838 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.378 -1.316 0.266 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.600 -0.047 0.013 1.00 0.00 H new ATOM 551 N ALA A 36 2.070 -1.923 1.614 1.00 0.00 N ATOM 552 CA ALA A 36 2.706 -3.066 2.249 1.00 0.00 C ATOM 553 C ALA A 36 1.676 -4.069 2.776 1.00 0.00 C ATOM 554 O ALA A 36 0.498 -3.735 2.942 1.00 0.00 O ATOM 555 CB ALA A 36 3.632 -2.555 3.355 1.00 0.00 C ATOM 0 H ALA A 36 1.173 -1.678 2.033 1.00 0.00 H new ATOM 0 HA ALA A 36 3.297 -3.610 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.118 -3.400 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.389 -1.901 2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.049 -1.999 4.089 1.00 0.00 H new ATOM 561 N ILE A 37 2.136 -5.287 3.077 1.00 0.00 N ATOM 562 CA ILE A 37 1.318 -6.353 3.665 1.00 0.00 C ATOM 563 C ILE A 37 1.864 -6.767 5.025 1.00 0.00 C ATOM 564 O ILE A 37 3.075 -6.836 5.212 1.00 0.00 O ATOM 565 CB ILE A 37 1.180 -7.527 2.669 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.273 -7.577 2.166 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.592 -8.895 3.228 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.452 -8.545 1.000 1.00 0.00 C ATOM 0 H ILE A 37 3.104 -5.565 2.916 1.00 0.00 H new ATOM 0 HA ILE A 37 0.310 -5.982 3.850 1.00 0.00 H new ATOM 0 HB ILE A 37 1.879 -7.331 1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.928 -7.874 2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.582 -6.579 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.462 -9.657 2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.638 -8.863 3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.970 -9.139 4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.495 -8.543 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.181 -8.234 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.170 -9.550 1.315 1.00 0.00 H new ATOM 580 N MET A 38 0.977 -7.071 5.965 1.00 0.00 N ATOM 581 CA MET A 38 1.317 -7.469 7.325 1.00 0.00 C ATOM 582 C MET A 38 1.416 -8.993 7.424 1.00 0.00 C ATOM 583 O MET A 38 0.398 -9.688 7.427 1.00 0.00 O ATOM 584 CB MET A 38 0.271 -6.903 8.305 1.00 0.00 C ATOM 585 CG MET A 38 0.010 -5.387 8.249 1.00 0.00 C ATOM 586 SD MET A 38 1.057 -4.346 9.299 1.00 0.00 S ATOM 587 CE MET A 38 2.670 -4.751 8.598 1.00 0.00 C ATOM 0 H MET A 38 -0.029 -7.047 5.796 1.00 0.00 H new ATOM 0 HA MET A 38 2.291 -7.060 7.593 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.674 -7.416 8.126 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.584 -7.156 9.318 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.129 -5.058 7.217 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.030 -5.210 8.522 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.367 -3.937 8.796 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.044 -5.668 9.053 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.574 -4.893 7.522 1.00 0.00 H new ATOM 597 N VAL A 39 2.639 -9.513 7.545 1.00 0.00 N ATOM 598 CA VAL A 39 2.912 -10.957 7.705 1.00 0.00 C ATOM 599 C VAL A 39 3.638 -11.254 9.015 1.00 0.00 C ATOM 600 O VAL A 39 4.474 -10.475 9.464 1.00 0.00 O ATOM 601 CB VAL A 39 3.651 -11.524 6.477 1.00 0.00 C ATOM 602 CG1 VAL A 39 5.029 -10.894 6.262 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.799 -13.048 6.518 1.00 0.00 C ATOM 0 H VAL A 39 3.484 -8.942 7.535 1.00 0.00 H new ATOM 0 HA VAL A 39 1.954 -11.473 7.764 1.00 0.00 H new ATOM 0 HB VAL A 39 3.013 -11.258 5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.498 -11.335 5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.919 -9.820 6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.653 -11.077 7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.327 -13.386 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.363 -13.335 7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.812 -13.509 6.551 1.00 0.00 H new ATOM 613 N GLN A 40 3.321 -12.386 9.642 1.00 0.00 N ATOM 614 CA GLN A 40 4.021 -12.892 10.828 1.00 0.00 C ATOM 615 C GLN A 40 5.459 -13.316 10.476 1.00 0.00 C ATOM 616 O GLN A 40 5.678 -14.118 9.565 1.00 0.00 O ATOM 617 CB GLN A 40 3.204 -14.023 11.484 1.00 0.00 C ATOM 618 CG GLN A 40 2.681 -15.091 10.499 1.00 0.00 C ATOM 619 CD GLN A 40 1.964 -16.260 11.181 1.00 0.00 C ATOM 620 OE1 GLN A 40 1.806 -16.337 12.394 1.00 0.00 O ATOM 621 NE2 GLN A 40 1.494 -17.228 10.422 1.00 0.00 N ATOM 0 H GLN A 40 2.558 -12.990 9.337 1.00 0.00 H new ATOM 0 HA GLN A 40 4.109 -12.093 11.564 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.824 -14.513 12.235 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.355 -13.584 12.008 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.997 -14.618 9.794 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.519 -15.479 9.919 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.613 -17.186 9.410 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.011 -18.020 10.846 1.00 0.00 H new ATOM 630 N SER A 41 6.451 -12.759 11.173 1.00 0.00 N ATOM 631 CA SER A 41 7.864 -12.898 10.807 1.00 0.00 C ATOM 632 C SER A 41 8.524 -14.168 11.353 1.00 0.00 C ATOM 633 O SER A 41 8.372 -14.482 12.538 1.00 0.00 O ATOM 634 CB SER A 41 8.647 -11.668 11.250 1.00 0.00 C ATOM 635 OG SER A 41 9.998 -11.783 10.830 1.00 0.00 O ATOM 0 H SER A 41 6.298 -12.197 12.010 1.00 0.00 H new ATOM 0 HA SER A 41 7.887 -12.986 9.721 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.200 -10.769 10.827 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.601 -11.567 12.334 1.00 0.00 H new ATOM 0 HG SER A 41 10.498 -10.990 11.115 1.00 0.00 H new ATOM 641 N PRO A 42 9.338 -14.863 10.533 1.00 0.00 N ATOM 642 CA PRO A 42 10.250 -15.893 11.014 1.00 0.00 C ATOM 643 C PRO A 42 11.436 -15.350 11.839 1.00 0.00 C ATOM 644 O PRO A 42 12.091 -16.121 12.544 1.00 0.00 O ATOM 645 CB PRO A 42 10.746 -16.633 9.763 1.00 0.00 C ATOM 646 CG PRO A 42 9.710 -16.299 8.691 1.00 0.00 C ATOM 647 CD PRO A 42 9.269 -14.893 9.080 1.00 0.00 C ATOM 0 HA PRO A 42 9.721 -16.548 11.707 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.742 -16.299 9.472 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.808 -17.708 9.935 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.140 -16.326 7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.877 -17.002 8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.921 -14.139 8.639 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.258 -14.685 8.729 1.00 0.00 H new ATOM 655 N MET A 43 11.735 -14.046 11.740 1.00 0.00 N ATOM 656 CA MET A 43 12.922 -13.396 12.332 1.00 0.00 C ATOM 657 C MET A 43 12.595 -12.395 13.458 1.00 0.00 C ATOM 658 O MET A 43 13.460 -12.105 14.289 1.00 0.00 O ATOM 659 CB MET A 43 13.716 -12.689 11.224 1.00 0.00 C ATOM 660 CG MET A 43 14.373 -13.683 10.254 1.00 0.00 C ATOM 661 SD MET A 43 14.433 -13.120 8.532 1.00 0.00 S ATOM 662 CE MET A 43 12.674 -13.317 8.137 1.00 0.00 C ATOM 0 H MET A 43 11.141 -13.391 11.231 1.00 0.00 H new ATOM 0 HA MET A 43 13.511 -14.187 12.795 1.00 0.00 H new ATOM 0 HB2 MET A 43 13.051 -12.028 10.668 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.485 -12.062 11.675 1.00 0.00 H new ATOM 0 HG2 MET A 43 15.389 -13.885 10.593 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.829 -14.627 10.296 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.558 -14.075 7.362 1.00 0.00 H new ATOM 0 HE2 MET A 43 12.133 -13.627 9.031 1.00 0.00 H new ATOM 0 HE3 MET A 43 12.273 -12.368 7.780 1.00 0.00 H new ATOM 672 N PHE A 44 11.366 -11.871 13.498 1.00 0.00 N ATOM 673 CA PHE A 44 10.880 -10.880 14.467 1.00 0.00 C ATOM 674 C PHE A 44 9.676 -11.408 15.270 1.00 0.00 C ATOM 675 O PHE A 44 8.921 -12.265 14.810 1.00 0.00 O ATOM 676 CB PHE A 44 10.572 -9.564 13.730 1.00 0.00 C ATOM 677 CG PHE A 44 10.002 -8.464 14.606 1.00 0.00 C ATOM 678 CD1 PHE A 44 10.845 -7.744 15.474 1.00 0.00 C ATOM 679 CD2 PHE A 44 8.622 -8.183 14.580 1.00 0.00 C ATOM 680 CE1 PHE A 44 10.310 -6.748 16.311 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.088 -7.185 15.415 1.00 0.00 C ATOM 682 CZ PHE A 44 8.932 -6.469 16.282 1.00 0.00 C ATOM 0 H PHE A 44 10.648 -12.138 12.824 1.00 0.00 H new ATOM 0 HA PHE A 44 11.658 -10.686 15.205 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.489 -9.201 13.265 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.867 -9.771 12.925 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.904 -7.957 15.497 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.972 -8.735 13.917 1.00 0.00 H new ATOM 0 HE1 PHE A 44 10.958 -6.197 16.976 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.030 -6.969 15.390 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.522 -5.705 16.926 1.00 0.00 H new ATOM 692 N ASP A 45 9.484 -10.885 16.481 1.00 0.00 N ATOM 693 CA ASP A 45 8.483 -11.346 17.456 1.00 0.00 C ATOM 694 C ASP A 45 7.107 -10.671 17.251 1.00 0.00 C ATOM 695 O ASP A 45 6.541 -10.065 18.166 1.00 0.00 O ATOM 696 CB ASP A 45 9.061 -11.185 18.874 1.00 0.00 C ATOM 697 CG ASP A 45 8.182 -11.828 19.965 1.00 0.00 C ATOM 698 OD1 ASP A 45 7.650 -12.945 19.747 1.00 0.00 O ATOM 699 OD2 ASP A 45 8.060 -11.244 21.069 1.00 0.00 O ATOM 0 H ASP A 45 10.038 -10.101 16.827 1.00 0.00 H new ATOM 0 HA ASP A 45 8.277 -12.405 17.300 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.055 -11.632 18.907 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.181 -10.124 19.092 1.00 0.00 H new ATOM 704 N GLY A 46 6.583 -10.725 16.022 1.00 0.00 N ATOM 705 CA GLY A 46 5.343 -10.063 15.625 1.00 0.00 C ATOM 706 C GLY A 46 5.153 -9.999 14.108 1.00 0.00 C ATOM 707 O GLY A 46 5.721 -10.788 13.345 1.00 0.00 O ATOM 0 H GLY A 46 7.022 -11.243 15.261 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.499 -10.591 16.068 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.334 -9.051 16.029 1.00 0.00 H new ATOM 711 N LYS A 47 4.335 -9.036 13.679 1.00 0.00 N ATOM 712 CA LYS A 47 3.929 -8.800 12.289 1.00 0.00 C ATOM 713 C LYS A 47 4.806 -7.712 11.659 1.00 0.00 C ATOM 714 O LYS A 47 5.077 -6.693 12.298 1.00 0.00 O ATOM 715 CB LYS A 47 2.440 -8.414 12.275 1.00 0.00 C ATOM 716 CG LYS A 47 1.500 -9.506 12.836 1.00 0.00 C ATOM 717 CD LYS A 47 0.872 -10.436 11.786 1.00 0.00 C ATOM 718 CE LYS A 47 0.038 -9.728 10.707 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.092 -8.935 11.267 1.00 0.00 N ATOM 0 H LYS A 47 3.916 -8.365 14.323 1.00 0.00 H new ATOM 0 HA LYS A 47 4.063 -9.703 11.694 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.307 -7.501 12.856 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.144 -8.186 11.251 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.060 -10.114 13.547 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.699 -9.021 13.393 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.668 -10.998 11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.238 -11.160 12.297 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.686 -9.068 10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.356 -10.472 10.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.666 -8.552 10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.683 -9.547 11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.717 -8.152 11.839 1.00 0.00 H new ATOM 733 N VAL A 48 5.233 -7.916 10.413 1.00 0.00 N ATOM 734 CA VAL A 48 6.160 -7.037 9.675 1.00 0.00 C ATOM 735 C VAL A 48 5.609 -6.647 8.293 1.00 0.00 C ATOM 736 O VAL A 48 4.886 -7.447 7.691 1.00 0.00 O ATOM 737 CB VAL A 48 7.563 -7.668 9.539 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.212 -7.879 10.915 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.575 -8.997 8.771 1.00 0.00 C ATOM 0 H VAL A 48 4.937 -8.724 9.865 1.00 0.00 H new ATOM 0 HA VAL A 48 6.255 -6.126 10.265 1.00 0.00 H new ATOM 0 HB VAL A 48 8.140 -6.951 8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.199 -8.325 10.787 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.310 -6.919 11.422 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.589 -8.543 11.513 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.595 -9.377 8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.944 -9.721 9.287 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.194 -8.838 7.762 1.00 0.00 H new ATOM 749 N PRO A 49 5.918 -5.439 7.775 1.00 0.00 N ATOM 750 CA PRO A 49 5.422 -4.967 6.481 1.00 0.00 C ATOM 751 C PRO A 49 6.246 -5.488 5.291 1.00 0.00 C ATOM 752 O PRO A 49 7.473 -5.363 5.277 1.00 0.00 O ATOM 753 CB PRO A 49 5.470 -3.436 6.565 1.00 0.00 C ATOM 754 CG PRO A 49 6.643 -3.172 7.508 1.00 0.00 C ATOM 755 CD PRO A 49 6.597 -4.354 8.476 1.00 0.00 C ATOM 0 HA PRO A 49 4.415 -5.342 6.297 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.631 -2.984 5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.539 -3.025 6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.590 -3.131 6.969 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.532 -2.221 8.030 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.603 -4.653 8.771 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.063 -4.088 9.388 1.00 0.00 H new ATOM 763 N HIS A 50 5.585 -6.018 4.253 1.00 0.00 N ATOM 764 CA HIS A 50 6.213 -6.348 2.965 1.00 0.00 C ATOM 765 C HIS A 50 5.938 -5.242 1.959 1.00 0.00 C ATOM 766 O HIS A 50 4.854 -5.211 1.387 1.00 0.00 O ATOM 767 CB HIS A 50 5.726 -7.727 2.480 1.00 0.00 C ATOM 768 CG HIS A 50 6.487 -8.874 3.097 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.767 -10.094 2.476 1.00 0.00 N ATOM 770 CD2 HIS A 50 7.045 -8.876 4.341 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.479 -10.805 3.368 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.682 -10.088 4.487 1.00 0.00 N ATOM 0 H HIS A 50 4.588 -6.232 4.284 1.00 0.00 H new ATOM 0 HA HIS A 50 7.295 -6.415 3.083 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.667 -7.834 2.713 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.820 -7.778 1.395 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.997 -8.081 5.070 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.838 -11.811 3.208 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.215 -10.389 5.303 1.00 0.00 H new ATOM 780 N TRP A 51 6.895 -4.329 1.764 1.00 0.00 N ATOM 781 CA TRP A 51 6.709 -3.117 0.967 1.00 0.00 C ATOM 782 C TRP A 51 6.691 -3.407 -0.533 1.00 0.00 C ATOM 783 O TRP A 51 7.385 -4.301 -1.013 1.00 0.00 O ATOM 784 CB TRP A 51 7.843 -2.134 1.275 1.00 0.00 C ATOM 785 CG TRP A 51 7.832 -1.605 2.669 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.649 -1.979 3.679 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.912 -0.628 3.232 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.282 -1.314 4.834 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.184 -0.508 4.626 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.840 0.127 2.707 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.397 0.283 5.471 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.039 0.918 3.548 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.312 0.988 4.925 1.00 0.00 C ATOM 0 H TRP A 51 7.831 -4.414 2.161 1.00 0.00 H new ATOM 0 HA TRP A 51 5.742 -2.691 1.233 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.797 -2.629 1.094 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.781 -1.297 0.580 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.461 -2.686 3.596 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.764 -1.408 5.728 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.634 0.096 1.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 6.620 0.350 6.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.211 1.474 3.135 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.684 1.588 5.567 1.00 0.00 H new ATOM 804 N TYR A 52 5.921 -2.619 -1.276 1.00 0.00 N ATOM 805 CA TYR A 52 5.894 -2.602 -2.737 1.00 0.00 C ATOM 806 C TYR A 52 5.220 -1.317 -3.259 1.00 0.00 C ATOM 807 O TYR A 52 4.593 -0.559 -2.512 1.00 0.00 O ATOM 808 CB TYR A 52 5.256 -3.908 -3.264 1.00 0.00 C ATOM 809 CG TYR A 52 4.085 -4.456 -2.474 1.00 0.00 C ATOM 810 CD1 TYR A 52 2.929 -3.673 -2.340 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.164 -5.720 -1.846 1.00 0.00 C ATOM 812 CE1 TYR A 52 1.865 -4.141 -1.563 1.00 0.00 C ATOM 813 CE2 TYR A 52 3.082 -6.205 -1.080 1.00 0.00 C ATOM 814 CZ TYR A 52 1.928 -5.406 -0.947 1.00 0.00 C ATOM 815 OH TYR A 52 0.871 -5.858 -0.232 1.00 0.00 O ATOM 0 H TYR A 52 5.273 -1.948 -0.863 1.00 0.00 H new ATOM 0 HA TYR A 52 6.911 -2.574 -3.129 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.926 -3.737 -4.289 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.030 -4.674 -3.302 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.861 -2.715 -2.834 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.057 -6.318 -1.953 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.986 -3.527 -1.434 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.137 -7.173 -0.603 1.00 0.00 H new ATOM 0 HH TYR A 52 0.085 -5.304 -0.424 1.00 0.00 H new ATOM 825 N HIS A 53 5.381 -1.042 -4.556 1.00 0.00 N ATOM 826 CA HIS A 53 4.736 0.086 -5.252 1.00 0.00 C ATOM 827 C HIS A 53 3.200 0.067 -5.073 1.00 0.00 C ATOM 828 O HIS A 53 2.614 -0.997 -4.864 1.00 0.00 O ATOM 829 CB HIS A 53 5.104 0.046 -6.749 1.00 0.00 C ATOM 830 CG HIS A 53 6.590 0.028 -7.056 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.380 -1.061 -7.459 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.390 1.135 -7.004 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.621 -0.580 -7.631 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.658 0.734 -7.366 1.00 0.00 N ATOM 0 H HIS A 53 5.973 -1.604 -5.167 1.00 0.00 H new ATOM 0 HA HIS A 53 5.102 1.013 -4.810 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.648 -0.839 -7.194 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.660 0.913 -7.238 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.086 2.135 -6.731 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.472 -1.169 -7.940 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.482 1.333 -7.423 1.00 0.00 H new ATOM 842 N PHE A 54 2.521 1.217 -5.192 1.00 0.00 N ATOM 843 CA PHE A 54 1.052 1.281 -5.054 1.00 0.00 C ATOM 844 C PHE A 54 0.319 0.322 -6.018 1.00 0.00 C ATOM 845 O PHE A 54 -0.626 -0.355 -5.612 1.00 0.00 O ATOM 846 CB PHE A 54 0.557 2.724 -5.260 1.00 0.00 C ATOM 847 CG PHE A 54 -0.951 2.834 -5.456 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.838 2.492 -4.414 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.474 3.207 -6.711 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.226 2.483 -4.637 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.864 3.218 -6.924 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.738 2.838 -5.893 1.00 0.00 C ATOM 0 H PHE A 54 2.962 2.117 -5.383 1.00 0.00 H new ATOM 0 HA PHE A 54 0.816 0.956 -4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.847 3.324 -4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.059 3.150 -6.129 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.449 2.236 -3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.805 3.485 -7.512 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.899 2.202 -3.840 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.260 3.519 -7.883 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.804 2.819 -6.067 1.00 0.00 H new ATOM 862 N SER A 55 0.772 0.210 -7.274 1.00 0.00 N ATOM 863 CA SER A 55 0.180 -0.689 -8.276 1.00 0.00 C ATOM 864 C SER A 55 0.502 -2.163 -8.004 1.00 0.00 C ATOM 865 O SER A 55 -0.289 -3.046 -8.341 1.00 0.00 O ATOM 866 CB SER A 55 0.636 -0.286 -9.680 1.00 0.00 C ATOM 867 OG SER A 55 2.052 -0.286 -9.773 1.00 0.00 O ATOM 0 H SER A 55 1.566 0.745 -7.627 1.00 0.00 H new ATOM 0 HA SER A 55 -0.903 -0.586 -8.206 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.220 -0.976 -10.414 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.252 0.705 -9.921 1.00 0.00 H new ATOM 0 HG SER A 55 2.321 -0.012 -10.675 1.00 0.00 H new ATOM 873 N CYS A 56 1.638 -2.438 -7.359 1.00 0.00 N ATOM 874 CA CYS A 56 2.106 -3.778 -7.036 1.00 0.00 C ATOM 875 C CYS A 56 1.248 -4.494 -5.969 1.00 0.00 C ATOM 876 O CYS A 56 1.125 -5.718 -6.033 1.00 0.00 O ATOM 877 CB CYS A 56 3.596 -3.719 -6.685 1.00 0.00 C ATOM 878 SG CYS A 56 4.618 -3.359 -8.169 1.00 0.00 S ATOM 0 H CYS A 56 2.274 -1.708 -7.039 1.00 0.00 H new ATOM 0 HA CYS A 56 1.985 -4.405 -7.919 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.764 -2.951 -5.930 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.907 -4.668 -6.248 1.00 0.00 H new ATOM 883 N PHE A 57 0.584 -3.777 -5.049 1.00 0.00 N ATOM 884 CA PHE A 57 -0.433 -4.377 -4.160 1.00 0.00 C ATOM 885 C PHE A 57 -1.474 -5.167 -4.965 1.00 0.00 C ATOM 886 O PHE A 57 -1.784 -6.325 -4.686 1.00 0.00 O ATOM 887 CB PHE A 57 -1.163 -3.285 -3.355 1.00 0.00 C ATOM 888 CG PHE A 57 -2.140 -3.841 -2.326 1.00 0.00 C ATOM 889 CD1 PHE A 57 -3.399 -4.331 -2.727 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.796 -3.891 -0.961 1.00 0.00 C ATOM 891 CE1 PHE A 57 -4.272 -4.907 -1.790 1.00 0.00 C ATOM 892 CE2 PHE A 57 -2.672 -4.450 -0.021 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.909 -4.965 -0.435 1.00 0.00 C ATOM 0 H PHE A 57 0.731 -2.779 -4.898 1.00 0.00 H new ATOM 0 HA PHE A 57 0.089 -5.052 -3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.425 -2.665 -2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.703 -2.636 -4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.695 -4.263 -3.763 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.846 -3.494 -0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.223 -5.305 -2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.395 -4.484 1.022 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.581 -5.405 0.287 1.00 0.00 H new ATOM 903 N TRP A 58 -1.987 -4.544 -6.022 1.00 0.00 N ATOM 904 CA TRP A 58 -3.028 -5.104 -6.878 1.00 0.00 C ATOM 905 C TRP A 58 -2.487 -6.185 -7.838 1.00 0.00 C ATOM 906 O TRP A 58 -3.271 -6.949 -8.402 1.00 0.00 O ATOM 907 CB TRP A 58 -3.731 -3.939 -7.576 1.00 0.00 C ATOM 908 CG TRP A 58 -4.057 -2.785 -6.659 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.352 -1.635 -6.613 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.043 -2.676 -5.577 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.784 -0.847 -5.567 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.829 -1.435 -4.891 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.093 -3.493 -5.094 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.610 -1.032 -3.796 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.878 -3.097 -3.993 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.634 -1.872 -3.349 1.00 0.00 C ATOM 0 H TRP A 58 -1.684 -3.615 -6.314 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.762 -5.645 -6.281 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.098 -3.579 -8.387 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.653 -4.303 -8.029 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.561 -1.369 -7.299 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.380 0.058 -5.325 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.296 -4.437 -5.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.422 -0.088 -3.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.672 -3.739 -3.642 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.240 -1.578 -2.505 1.00 0.00 H new ATOM 927 N LYS A 59 -1.153 -6.314 -7.962 1.00 0.00 N ATOM 928 CA LYS A 59 -0.457 -7.447 -8.608 1.00 0.00 C ATOM 929 C LYS A 59 -0.285 -8.638 -7.654 1.00 0.00 C ATOM 930 O LYS A 59 -0.317 -9.781 -8.106 1.00 0.00 O ATOM 931 CB LYS A 59 0.907 -7.014 -9.172 1.00 0.00 C ATOM 932 CG LYS A 59 0.785 -5.901 -10.219 1.00 0.00 C ATOM 933 CD LYS A 59 2.157 -5.300 -10.558 1.00 0.00 C ATOM 934 CE LYS A 59 1.934 -3.850 -10.987 1.00 0.00 C ATOM 935 NZ LYS A 59 3.155 -3.025 -10.840 1.00 0.00 N ATOM 0 H LYS A 59 -0.507 -5.610 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.088 -7.773 -9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.542 -6.671 -8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.401 -7.876 -9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.326 -6.299 -11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.125 -5.118 -9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.819 -5.346 -9.693 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.636 -5.866 -11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.606 -3.828 -12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.132 -3.416 -10.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.889 -2.056 -10.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.763 -3.433 -10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.672 -3.006 -11.742 1.00 0.00 H new ATOM 949 N VAL A 60 -0.135 -8.397 -6.342 1.00 0.00 N ATOM 950 CA VAL A 60 -0.294 -9.438 -5.297 1.00 0.00 C ATOM 951 C VAL A 60 -1.753 -9.930 -5.264 1.00 0.00 C ATOM 952 O VAL A 60 -2.009 -11.113 -5.038 1.00 0.00 O ATOM 953 CB VAL A 60 0.167 -8.941 -3.903 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.028 -10.020 -2.821 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.640 -8.516 -3.895 1.00 0.00 C ATOM 0 H VAL A 60 0.100 -7.477 -5.969 1.00 0.00 H new ATOM 0 HA VAL A 60 0.353 -10.276 -5.555 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.483 -8.093 -3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.364 -9.621 -1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.016 -10.323 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.637 -10.884 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.915 -8.176 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.265 -9.364 -4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.789 -7.705 -4.608 1.00 0.00 H new ATOM 965 N GLY A 61 -2.707 -9.050 -5.591 1.00 0.00 N ATOM 966 CA GLY A 61 -4.069 -9.419 -6.003 1.00 0.00 C ATOM 967 C GLY A 61 -5.065 -9.643 -4.861 1.00 0.00 C ATOM 968 O GLY A 61 -6.121 -10.243 -5.078 1.00 0.00 O ATOM 0 H GLY A 61 -2.552 -8.042 -5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.458 -8.635 -6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.015 -10.330 -6.599 1.00 0.00 H new ATOM 972 N HIS A 62 -4.751 -9.175 -3.650 1.00 0.00 N ATOM 973 CA HIS A 62 -5.677 -9.201 -2.509 1.00 0.00 C ATOM 974 C HIS A 62 -6.833 -8.207 -2.711 1.00 0.00 C ATOM 975 O HIS A 62 -6.642 -7.113 -3.247 1.00 0.00 O ATOM 976 CB HIS A 62 -4.925 -8.900 -1.201 1.00 0.00 C ATOM 977 CG HIS A 62 -4.119 -10.050 -0.635 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.974 -10.325 0.729 1.00 0.00 N ATOM 979 CD2 HIS A 62 -3.398 -10.972 -1.341 1.00 0.00 C ATOM 980 CE1 HIS A 62 -3.155 -11.387 0.813 1.00 0.00 C ATOM 981 NE2 HIS A 62 -2.800 -11.799 -0.415 1.00 0.00 N ATOM 0 H HIS A 62 -3.843 -8.765 -3.430 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.104 -10.202 -2.442 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.254 -8.058 -1.373 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -5.649 -8.582 -0.451 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.313 -11.039 -2.416 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.829 -11.844 1.736 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -2.191 -12.590 -0.626 1.00 0.00 H new ATOM 989 N SER A 63 -8.030 -8.573 -2.250 1.00 0.00 N ATOM 990 CA SER A 63 -9.169 -7.656 -2.116 1.00 0.00 C ATOM 991 C SER A 63 -9.095 -6.854 -0.818 1.00 0.00 C ATOM 992 O SER A 63 -8.439 -7.244 0.148 1.00 0.00 O ATOM 993 CB SER A 63 -10.503 -8.404 -2.247 1.00 0.00 C ATOM 994 OG SER A 63 -10.709 -9.314 -1.175 1.00 0.00 O ATOM 0 H SER A 63 -8.241 -9.526 -1.955 1.00 0.00 H new ATOM 0 HA SER A 63 -9.114 -6.941 -2.937 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.321 -7.684 -2.274 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.524 -8.946 -3.192 1.00 0.00 H new ATOM 0 HG SER A 63 -11.569 -9.769 -1.293 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.761 -5.702 -0.811 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.920 -4.840 0.361 1.00 0.00 C ATOM 1002 C ILE A 64 -11.393 -4.419 0.414 1.00 0.00 C ATOM 1003 O ILE A 64 -11.948 -3.960 -0.588 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.957 -3.637 0.290 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.506 -4.005 -0.097 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.983 -2.901 1.639 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.536 -2.818 -0.027 1.00 0.00 C ATOM 0 H ILE A 64 -10.219 -5.330 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.662 -5.367 1.280 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.312 -2.993 -0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.151 -4.794 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.500 -4.411 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.306 -2.048 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.995 -2.552 1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.667 -3.581 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.537 -3.148 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.868 -2.036 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.513 -2.426 0.990 1.00 0.00 H new ATOM 1019 N ARG A 65 -12.041 -4.635 1.561 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.509 -4.581 1.735 1.00 0.00 C ATOM 1021 C ARG A 65 -13.961 -3.583 2.808 1.00 0.00 C ATOM 1022 O ARG A 65 -15.111 -3.145 2.787 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.092 -6.003 1.938 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.271 -6.958 2.827 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.194 -7.740 2.048 1.00 0.00 C ATOM 1026 NE ARG A 65 -10.959 -7.865 2.835 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.911 -8.628 2.602 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -9.807 -9.448 1.597 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -8.914 -8.549 3.422 1.00 0.00 N ATOM 0 H ARG A 65 -11.550 -4.860 2.426 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.927 -4.187 0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.088 -5.906 2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.213 -6.466 0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.791 -6.384 3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.946 -7.665 3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.571 -8.731 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.980 -7.232 1.108 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.907 -7.284 3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.570 -9.530 0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.963 -10.008 1.481 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.957 -7.911 4.217 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.085 -9.125 3.274 1.00 0.00 H new ATOM 1043 N HIS A 66 -13.051 -3.162 3.687 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.200 -2.012 4.587 1.00 0.00 C ATOM 1045 C HIS A 66 -11.867 -1.246 4.676 1.00 0.00 C ATOM 1046 O HIS A 66 -11.165 -1.314 5.686 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.847 -2.405 5.938 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.298 -3.571 6.741 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -12.954 -4.802 6.264 1.00 0.00 N flip ATOM 1050 CD2 HIS A 66 -13.249 -3.628 8.139 1.00 0.00 C flip ATOM 1051 CE1 HIS A 66 -12.640 -5.592 7.343 1.00 0.00 C flip ATOM 1052 NE2 HIS A 66 -12.829 -4.866 8.453 1.00 0.00 N flip ATOM 0 H HIS A 66 -12.152 -3.631 3.798 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.919 -1.306 4.172 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.811 -1.525 6.581 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.899 -2.614 5.743 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.499 -2.835 8.828 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.301 -6.617 7.304 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.676 -5.205 9.403 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.461 -0.547 3.595 1.00 0.00 N ATOM 1061 CA PRO A 67 -10.083 -0.087 3.400 1.00 0.00 C ATOM 1062 C PRO A 67 -9.566 0.892 4.454 1.00 0.00 C ATOM 1063 O PRO A 67 -8.409 0.791 4.846 1.00 0.00 O ATOM 1064 CB PRO A 67 -10.037 0.531 1.993 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.497 0.859 1.699 1.00 0.00 C ATOM 1066 CD PRO A 67 -12.243 -0.267 2.398 1.00 0.00 C ATOM 0 HA PRO A 67 -9.413 -0.940 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.412 1.424 1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.627 -0.166 1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.779 1.836 2.092 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.700 0.875 0.628 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.261 0.031 2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.318 -1.147 1.760 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.403 1.783 4.984 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.008 2.709 6.055 1.00 0.00 C ATOM 1076 C ASP A 68 -9.824 2.019 7.424 1.00 0.00 C ATOM 1077 O ASP A 68 -9.312 2.631 8.365 1.00 0.00 O ATOM 1078 CB ASP A 68 -10.955 3.917 6.089 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.433 3.523 6.191 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -12.949 3.357 7.321 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -13.076 3.390 5.121 1.00 0.00 O ATOM 0 H ASP A 68 -11.373 1.887 4.687 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.012 3.086 5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.695 4.550 6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.806 4.513 5.189 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.199 0.737 7.525 1.00 0.00 N ATOM 1087 CA VAL A 69 -9.933 -0.146 8.671 1.00 0.00 C ATOM 1088 C VAL A 69 -8.732 -1.064 8.402 1.00 0.00 C ATOM 1089 O VAL A 69 -7.860 -1.218 9.257 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.173 -1.002 9.010 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.010 -1.701 10.365 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.473 -0.186 9.045 1.00 0.00 C ATOM 0 H VAL A 69 -10.716 0.267 6.782 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.700 0.493 9.522 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.246 -1.737 8.208 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.898 -2.296 10.577 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.136 -2.352 10.336 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.880 -0.953 11.147 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.308 -0.843 9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.392 0.594 9.802 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.642 0.270 8.070 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.675 -1.677 7.214 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.698 -2.726 6.869 1.00 0.00 C ATOM 1104 C GLU A 70 -6.352 -2.184 6.383 1.00 0.00 C ATOM 1105 O GLU A 70 -5.319 -2.807 6.629 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.267 -3.644 5.771 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.553 -4.382 6.146 1.00 0.00 C ATOM 1108 CD GLU A 70 -10.023 -5.271 4.982 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.641 -4.764 4.014 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.784 -6.500 5.028 1.00 0.00 O ATOM 0 H GLU A 70 -9.315 -1.457 6.451 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.521 -3.272 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.456 -3.045 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.508 -4.380 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.383 -4.993 7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.332 -3.662 6.399 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.362 -1.036 5.704 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.177 -0.315 5.236 1.00 0.00 C ATOM 1119 C VAL A 71 -4.756 0.679 6.306 1.00 0.00 C ATOM 1120 O VAL A 71 -5.261 1.795 6.426 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.400 0.337 3.872 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.038 0.794 3.374 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.945 -0.668 2.853 1.00 0.00 C ATOM 0 H VAL A 71 -7.231 -0.564 5.455 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.362 -1.022 5.079 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.115 1.153 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.147 1.268 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.614 1.509 4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.375 -0.067 3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.092 -0.171 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.234 -1.486 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.897 -1.064 3.206 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.786 0.244 7.092 1.00 0.00 N ATOM 1134 CA ASP A 72 -3.063 1.066 8.043 1.00 0.00 C ATOM 1135 C ASP A 72 -2.290 2.194 7.328 1.00 0.00 C ATOM 1136 O ASP A 72 -1.820 2.026 6.207 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.162 0.115 8.830 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.478 0.828 9.993 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -2.194 1.222 10.942 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.242 1.007 9.928 1.00 0.00 O ATOM 0 H ASP A 72 -3.470 -0.726 7.084 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.734 1.585 8.728 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.754 -0.718 9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.408 -0.307 8.166 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.198 3.374 7.935 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.496 4.543 7.381 1.00 0.00 C ATOM 1147 C GLY A 73 -2.307 5.363 6.365 1.00 0.00 C ATOM 1148 O GLY A 73 -1.950 6.504 6.079 1.00 0.00 O ATOM 0 H GLY A 73 -2.617 3.555 8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.204 5.196 8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.578 4.204 6.902 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.457 4.854 5.907 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.437 5.563 5.065 1.00 0.00 C ATOM 1154 C PHE A 74 -4.873 6.915 5.659 1.00 0.00 C ATOM 1155 O PHE A 74 -5.133 7.866 4.924 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.647 4.629 4.923 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.811 5.174 4.121 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.856 4.982 2.728 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.867 5.843 4.771 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -7.952 5.458 1.990 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -8.958 6.328 4.029 1.00 0.00 C ATOM 1162 CZ PHE A 74 -8.996 6.138 2.639 1.00 0.00 C ATOM 0 H PHE A 74 -3.745 3.899 6.120 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.984 5.799 4.102 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.313 3.701 4.458 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.005 4.375 5.921 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.049 4.469 2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.838 5.983 5.841 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.992 5.301 0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.765 6.845 4.527 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.830 6.516 2.067 1.00 0.00 H new ATOM 1172 N SER A 75 -4.889 7.033 6.988 1.00 0.00 N ATOM 1173 CA SER A 75 -5.186 8.275 7.720 1.00 0.00 C ATOM 1174 C SER A 75 -4.177 9.410 7.463 1.00 0.00 C ATOM 1175 O SER A 75 -4.498 10.577 7.694 1.00 0.00 O ATOM 1176 CB SER A 75 -5.224 7.977 9.223 1.00 0.00 C ATOM 1177 OG SER A 75 -6.161 6.947 9.505 1.00 0.00 O ATOM 0 H SER A 75 -4.690 6.247 7.607 1.00 0.00 H new ATOM 0 HA SER A 75 -6.151 8.624 7.353 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.233 7.678 9.565 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.492 8.880 9.772 1.00 0.00 H new ATOM 0 HG SER A 75 -6.171 6.769 10.469 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.973 9.097 6.968 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.921 10.072 6.638 1.00 0.00 C ATOM 1185 C GLU A 76 -2.011 10.589 5.188 1.00 0.00 C ATOM 1186 O GLU A 76 -1.452 11.642 4.867 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.534 9.456 6.892 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.338 8.922 8.320 1.00 0.00 C ATOM 1189 CD GLU A 76 -0.483 10.025 9.388 1.00 0.00 C ATOM 1190 OE1 GLU A 76 0.379 10.936 9.449 1.00 0.00 O ATOM 1191 OE2 GLU A 76 -1.452 9.983 10.185 1.00 0.00 O ATOM 0 H GLU A 76 -2.694 8.134 6.780 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.073 10.932 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.375 8.641 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.229 10.208 6.689 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.067 8.135 8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.650 8.468 8.402 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.721 9.871 4.308 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.934 10.257 2.909 1.00 0.00 C ATOM 1200 C LEU A 77 -3.844 11.492 2.809 1.00 0.00 C ATOM 1201 O LEU A 77 -4.763 11.679 3.612 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.535 9.088 2.105 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.553 8.023 1.589 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.625 7.434 2.648 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.368 6.898 0.949 1.00 0.00 C ATOM 0 H LEU A 77 -3.171 8.989 4.554 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.963 10.510 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.277 8.591 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.067 9.503 1.249 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.896 8.523 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.971 6.693 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.021 8.229 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.219 6.958 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.694 6.128 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.036 6.464 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.956 7.299 0.123 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.619 12.314 1.781 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.520 13.410 1.398 1.00 0.00 C ATOM 1219 C ARG A 78 -5.721 12.905 0.613 1.00 0.00 C ATOM 1220 O ARG A 78 -5.736 11.774 0.121 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.744 14.518 0.660 1.00 0.00 C ATOM 1222 CG ARG A 78 -2.686 15.192 1.549 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.291 15.707 2.865 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.321 16.510 3.635 1.00 0.00 N ATOM 1225 CZ ARG A 78 -1.395 16.066 4.470 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -1.224 14.799 4.725 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -0.605 16.907 5.075 1.00 0.00 N ATOM 0 H ARG A 78 -2.797 12.238 1.182 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.925 13.854 2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.258 14.093 -0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.446 15.271 0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.889 14.481 1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.232 16.022 1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.172 16.311 2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.624 14.862 3.468 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.370 17.521 3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.817 14.103 4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.497 14.503 5.376 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.700 17.908 4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.108 16.564 5.718 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.749 13.750 0.534 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.087 13.326 0.123 1.00 0.00 C ATOM 1243 C TRP A 79 -8.094 12.676 -1.273 1.00 0.00 C ATOM 1244 O TRP A 79 -8.717 11.637 -1.462 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.080 14.499 0.261 1.00 0.00 C ATOM 1246 CG TRP A 79 -9.964 14.786 -0.916 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.233 14.349 -1.087 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -9.652 15.574 -2.106 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -11.725 14.813 -2.294 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -10.789 15.571 -2.967 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.512 16.282 -2.545 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -10.798 16.243 -4.199 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -8.508 16.958 -3.780 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -9.647 16.941 -4.607 1.00 0.00 C ATOM 0 H TRP A 79 -6.678 14.744 0.752 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.422 12.537 0.796 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.717 14.303 1.123 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.510 15.401 0.484 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.779 13.732 -0.388 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.664 14.619 -2.643 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.629 16.305 -1.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.677 16.224 -4.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.625 17.493 -4.095 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.637 17.463 -5.553 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.321 13.207 -2.224 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.228 12.687 -3.595 1.00 0.00 C ATOM 1267 C ASP A 80 -6.631 11.267 -3.674 1.00 0.00 C ATOM 1268 O ASP A 80 -6.985 10.488 -4.559 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.403 13.669 -4.439 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.370 13.275 -5.926 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -7.422 13.375 -6.604 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.285 12.902 -6.432 1.00 0.00 O ATOM 0 H ASP A 80 -6.732 14.024 -2.062 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.242 12.601 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.821 14.671 -4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.384 13.710 -4.053 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.746 10.909 -2.740 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.123 9.588 -2.646 1.00 0.00 C ATOM 1279 C ASP A 81 -6.010 8.631 -1.853 1.00 0.00 C ATOM 1280 O ASP A 81 -6.178 7.491 -2.272 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.720 9.681 -2.033 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.712 10.304 -3.006 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.463 9.696 -4.075 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.149 11.374 -2.682 1.00 0.00 O ATOM 0 H ASP A 81 -5.435 11.548 -2.009 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.014 9.191 -3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.761 10.277 -1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.382 8.685 -1.748 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.658 9.096 -0.780 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.682 8.328 -0.065 1.00 0.00 C ATOM 1291 C GLN A 82 -8.822 7.909 -1.006 1.00 0.00 C ATOM 1292 O GLN A 82 -9.173 6.731 -1.072 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.233 9.156 1.108 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.244 9.230 2.278 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.800 9.985 3.487 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.715 10.796 3.403 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.267 9.751 4.666 1.00 0.00 N ATOM 0 H GLN A 82 -6.486 10.019 -0.382 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.220 7.420 0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.462 10.164 0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.169 8.717 1.453 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.973 8.219 2.582 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.329 9.718 1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.505 9.080 4.757 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.616 10.241 5.490 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.344 8.847 -1.801 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.384 8.588 -2.801 1.00 0.00 C ATOM 1308 C GLN A 83 -9.925 7.606 -3.888 1.00 0.00 C ATOM 1309 O GLN A 83 -10.722 6.783 -4.328 1.00 0.00 O ATOM 1310 CB GLN A 83 -10.816 9.917 -3.446 1.00 0.00 C ATOM 1311 CG GLN A 83 -11.599 10.845 -2.502 1.00 0.00 C ATOM 1312 CD GLN A 83 -13.011 10.340 -2.213 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -13.929 10.484 -3.010 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -13.245 9.718 -1.075 1.00 0.00 N ATOM 0 H GLN A 83 -9.051 9.824 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.226 8.125 -2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.929 10.442 -3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.431 9.702 -4.320 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.054 10.944 -1.563 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.657 11.840 -2.944 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.491 9.589 -0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.180 9.365 -0.869 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.649 7.632 -4.294 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.074 6.788 -5.340 1.00 0.00 C ATOM 1325 C LYS A 84 -7.773 5.396 -4.802 1.00 0.00 C ATOM 1326 O LYS A 84 -8.044 4.424 -5.495 1.00 0.00 O ATOM 1327 CB LYS A 84 -6.856 7.543 -5.902 1.00 0.00 C ATOM 1328 CG LYS A 84 -5.966 6.784 -6.891 1.00 0.00 C ATOM 1329 CD LYS A 84 -4.831 6.013 -6.200 1.00 0.00 C ATOM 1330 CE LYS A 84 -3.864 6.837 -5.333 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.211 7.949 -6.073 1.00 0.00 N ATOM 0 H LYS A 84 -7.965 8.268 -3.884 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.769 6.609 -6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.215 8.447 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.237 7.860 -5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.578 6.086 -7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.539 7.490 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.277 5.241 -5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.249 5.503 -6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.409 7.247 -4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.095 6.177 -4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.694 8.555 -5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.547 7.558 -6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.935 8.513 -6.562 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.294 5.272 -3.563 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.074 3.969 -2.900 1.00 0.00 C ATOM 1347 C VAL A 85 -8.413 3.268 -2.653 1.00 0.00 C ATOM 1348 O VAL A 85 -8.559 2.099 -3.015 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.276 4.148 -1.588 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.223 2.877 -0.728 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.823 4.559 -1.863 1.00 0.00 C ATOM 0 H VAL A 85 -7.044 6.072 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.479 3.336 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.813 4.928 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.648 3.074 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.236 2.579 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.748 2.075 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.293 4.676 -0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.334 3.790 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.809 5.504 -2.406 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.425 3.978 -2.130 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.773 3.411 -1.939 1.00 0.00 C ATOM 1363 C LYS A 86 -11.448 3.083 -3.273 1.00 0.00 C ATOM 1364 O LYS A 86 -11.971 1.979 -3.421 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.642 4.317 -1.046 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.090 4.354 0.391 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.010 4.987 1.450 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.354 4.265 1.561 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.080 4.610 2.813 1.00 0.00 N ATOM 0 H LYS A 86 -9.336 4.949 -1.830 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.659 2.463 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.667 5.326 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.669 3.951 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.863 3.333 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.147 4.901 0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.510 4.970 2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.182 6.034 1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.974 4.522 0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.189 3.188 1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.073 4.310 2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.635 4.123 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.040 5.638 2.965 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.341 3.954 -4.286 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.841 3.668 -5.645 1.00 0.00 C ATOM 1385 C LYS A 87 -11.137 2.466 -6.272 1.00 0.00 C ATOM 1386 O LYS A 87 -11.805 1.624 -6.856 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.746 4.915 -6.529 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.351 4.668 -7.919 1.00 0.00 C ATOM 1389 CD LYS A 87 -12.555 6.002 -8.636 1.00 0.00 C ATOM 1390 CE LYS A 87 -13.127 5.776 -10.041 1.00 0.00 C ATOM 1391 NZ LYS A 87 -13.354 7.062 -10.752 1.00 0.00 N ATOM 0 H LYS A 87 -10.908 4.873 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.894 3.398 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.265 5.744 -6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.702 5.210 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.692 4.027 -8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.303 4.146 -7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.232 6.632 -8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.606 6.533 -8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.441 5.156 -10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.067 5.229 -9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.741 6.872 -11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.028 7.643 -10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.452 7.572 -10.843 1.00 0.00 H new ATOM 1405 N THR A 88 -9.823 2.325 -6.095 1.00 0.00 N ATOM 1406 CA THR A 88 -9.049 1.178 -6.593 1.00 0.00 C ATOM 1407 C THR A 88 -9.457 -0.135 -5.916 1.00 0.00 C ATOM 1408 O THR A 88 -9.541 -1.165 -6.586 1.00 0.00 O ATOM 1409 CB THR A 88 -7.541 1.424 -6.451 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.174 2.562 -7.199 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.722 0.286 -7.038 1.00 0.00 C ATOM 0 H THR A 88 -9.256 3.010 -5.596 1.00 0.00 H new ATOM 0 HA THR A 88 -9.280 1.077 -7.653 1.00 0.00 H new ATOM 0 HB THR A 88 -7.347 1.532 -5.384 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.499 3.369 -6.748 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.660 0.501 -6.916 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.966 -0.642 -6.521 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.952 0.182 -8.098 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.795 -0.105 -4.624 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.293 -1.264 -3.893 1.00 0.00 C ATOM 1421 C ALA A 89 -11.706 -1.653 -4.367 1.00 0.00 C ATOM 1422 O ALA A 89 -11.998 -2.839 -4.531 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.248 -0.941 -2.398 1.00 0.00 C ATOM 0 H ALA A 89 -9.728 0.737 -4.053 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.663 -2.132 -4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.617 -1.795 -1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.221 -0.725 -2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.874 -0.072 -2.194 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.559 -0.667 -4.677 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.878 -0.908 -5.280 1.00 0.00 C ATOM 1431 C GLU A 90 -13.789 -1.402 -6.737 1.00 0.00 C ATOM 1432 O GLU A 90 -14.592 -2.230 -7.173 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.750 0.358 -5.218 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.180 0.715 -3.792 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.153 1.910 -3.794 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.695 3.079 -3.770 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.389 1.689 -3.815 1.00 0.00 O ATOM 0 H GLU A 90 -12.355 0.319 -4.517 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.340 -1.701 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.198 1.195 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.637 0.213 -5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.657 -0.147 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.302 0.957 -3.193 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.788 -0.924 -7.478 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.501 -1.265 -8.870 1.00 0.00 C ATOM 1446 C ALA A 91 -11.813 -2.638 -9.049 1.00 0.00 C ATOM 1447 O ALA A 91 -11.657 -3.108 -10.180 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.649 -0.123 -9.444 1.00 0.00 C ATOM 0 H ALA A 91 -12.120 -0.252 -7.101 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.441 -1.369 -9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.410 -0.336 -10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.206 0.812 -9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.726 -0.034 -8.871 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.398 -3.288 -7.954 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.705 -4.580 -7.974 1.00 0.00 C ATOM 1456 C GLY A 92 -9.231 -4.505 -8.399 1.00 0.00 C ATOM 1457 O GLY A 92 -8.687 -5.504 -8.878 1.00 0.00 O ATOM 0 H GLY A 92 -11.538 -2.922 -7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.761 -5.024 -6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.232 -5.250 -8.653 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.581 -3.347 -8.231 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.155 -3.149 -8.462 1.00 0.00 C ATOM 1463 C GLY A 93 -6.790 -2.388 -9.739 1.00 0.00 C ATOM 1464 O GLY A 93 -7.505 -2.422 -10.744 1.00 0.00 O ATOM 0 H GLY A 93 -9.053 -2.498 -7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.738 -2.613 -7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.671 -4.125 -8.492 1.00 0.00 H new ATOM 1468 N VAL A 94 -5.633 -1.723 -9.688 1.00 0.00 N ATOM 1469 CA VAL A 94 -4.943 -1.108 -10.840 1.00 0.00 C ATOM 1470 C VAL A 94 -3.474 -1.548 -10.890 1.00 0.00 C ATOM 1471 O VAL A 94 -2.769 -1.521 -9.882 1.00 0.00 O ATOM 1472 CB VAL A 94 -5.116 0.425 -10.857 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -4.286 1.165 -9.801 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -4.766 0.988 -12.239 1.00 0.00 C ATOM 0 H VAL A 94 -5.126 -1.589 -8.813 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.413 -1.469 -11.755 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.165 0.596 -10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.466 2.237 -9.882 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.574 0.823 -8.807 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.227 0.962 -9.962 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.893 2.071 -12.234 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.731 0.746 -12.479 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.425 0.549 -12.988 1.00 0.00 H new ATOM 1484 N THR A 95 -3.019 -2.005 -12.057 1.00 0.00 N ATOM 1485 CA THR A 95 -1.903 -2.968 -12.176 1.00 0.00 C ATOM 1486 C THR A 95 -0.777 -2.550 -13.117 1.00 0.00 C ATOM 1487 O THR A 95 0.022 -3.385 -13.549 1.00 0.00 O ATOM 1488 CB THR A 95 -2.447 -4.346 -12.587 1.00 0.00 C ATOM 1489 OG1 THR A 95 -3.349 -4.217 -13.671 1.00 0.00 O ATOM 1490 CG2 THR A 95 -3.198 -5.001 -11.427 1.00 0.00 C ATOM 0 H THR A 95 -3.410 -1.722 -12.955 1.00 0.00 H new ATOM 0 HA THR A 95 -1.447 -3.004 -11.187 1.00 0.00 H new ATOM 0 HB THR A 95 -1.594 -4.962 -12.874 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.686 -5.102 -13.923 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.574 -5.975 -11.741 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.522 -5.128 -10.581 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.034 -4.367 -11.131 1.00 0.00 H new ATOM 1498 N GLY A 96 -0.683 -1.263 -13.445 1.00 0.00 N ATOM 1499 CA GLY A 96 0.303 -0.790 -14.411 1.00 0.00 C ATOM 1500 C GLY A 96 1.751 -0.730 -13.894 1.00 0.00 C ATOM 1501 O GLY A 96 2.043 -1.034 -12.732 1.00 0.00 O ATOM 0 H GLY A 96 -1.277 -0.531 -13.056 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.273 -1.441 -15.285 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.012 0.206 -14.745 1.00 0.00 H new ATOM 1505 N LYS A 97 2.675 -0.321 -14.773 1.00 0.00 N ATOM 1506 CA LYS A 97 4.133 -0.300 -14.520 1.00 0.00 C ATOM 1507 C LYS A 97 4.575 0.704 -13.443 1.00 0.00 C ATOM 1508 O LYS A 97 5.644 0.534 -12.856 1.00 0.00 O ATOM 1509 CB LYS A 97 4.882 -0.026 -15.838 1.00 0.00 C ATOM 1510 CG LYS A 97 4.703 -1.157 -16.866 1.00 0.00 C ATOM 1511 CD LYS A 97 5.513 -0.880 -18.140 1.00 0.00 C ATOM 1512 CE LYS A 97 5.318 -2.020 -19.147 1.00 0.00 C ATOM 1513 NZ LYS A 97 6.088 -1.785 -20.396 1.00 0.00 N ATOM 0 H LYS A 97 2.430 0.014 -15.705 1.00 0.00 H new ATOM 0 HA LYS A 97 4.388 -1.284 -14.127 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.524 0.910 -16.267 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.944 0.105 -15.628 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.020 -2.104 -16.429 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.647 -1.260 -17.118 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.197 0.065 -18.583 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.570 -0.779 -17.893 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.633 -2.962 -18.697 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.259 -2.119 -19.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.932 -2.575 -21.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.770 -0.899 -20.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.101 -1.716 -20.171 1.00 0.00 H new ATOM 1527 N GLY A 98 3.758 1.721 -13.157 1.00 0.00 N ATOM 1528 CA GLY A 98 4.019 2.726 -12.122 1.00 0.00 C ATOM 1529 C GLY A 98 5.121 3.729 -12.493 1.00 0.00 C ATOM 1530 O GLY A 98 5.247 4.140 -13.650 1.00 0.00 O ATOM 0 H GLY A 98 2.877 1.872 -13.649 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.098 3.272 -11.919 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.299 2.219 -11.199 1.00 0.00 H new ATOM 1534 N GLN A 99 5.897 4.149 -11.492 1.00 0.00 N ATOM 1535 CA GLN A 99 6.935 5.183 -11.602 1.00 0.00 C ATOM 1536 C GLN A 99 8.184 4.728 -12.385 1.00 0.00 C ATOM 1537 O GLN A 99 8.515 3.541 -12.436 1.00 0.00 O ATOM 1538 CB GLN A 99 7.366 5.612 -10.189 1.00 0.00 C ATOM 1539 CG GLN A 99 6.279 6.260 -9.313 1.00 0.00 C ATOM 1540 CD GLN A 99 5.915 7.698 -9.688 1.00 0.00 C ATOM 1541 OE1 GLN A 99 6.143 8.182 -10.790 1.00 0.00 O ATOM 1542 NE2 GLN A 99 5.329 8.442 -8.774 1.00 0.00 N ATOM 0 H GLN A 99 5.820 3.767 -10.549 1.00 0.00 H new ATOM 0 HA GLN A 99 6.495 6.010 -12.160 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.749 4.735 -9.667 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.194 6.314 -10.282 1.00 0.00 H new ATOM 0 HG2 GLN A 99 5.379 5.648 -9.366 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.613 6.245 -8.276 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.132 8.055 -7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.072 9.406 -8.989 1.00 0.00 H new ATOM 1551 N ASP A 100 8.931 5.698 -12.924 1.00 0.00 N ATOM 1552 CA ASP A 100 10.265 5.499 -13.523 1.00 0.00 C ATOM 1553 C ASP A 100 11.421 5.629 -12.498 1.00 0.00 C ATOM 1554 O ASP A 100 12.545 5.196 -12.759 1.00 0.00 O ATOM 1555 CB ASP A 100 10.419 6.498 -14.680 1.00 0.00 C ATOM 1556 CG ASP A 100 11.683 6.246 -15.523 1.00 0.00 C ATOM 1557 OD1 ASP A 100 11.767 5.184 -16.186 1.00 0.00 O ATOM 1558 OD2 ASP A 100 12.573 7.130 -15.564 1.00 0.00 O ATOM 0 H ASP A 100 8.621 6.669 -12.959 1.00 0.00 H new ATOM 0 HA ASP A 100 10.333 4.476 -13.893 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.541 6.439 -15.324 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.452 7.510 -14.278 1.00 0.00 H new ATOM 1563 N GLY A 101 11.146 6.207 -11.321 1.00 0.00 N ATOM 1564 CA GLY A 101 12.074 6.342 -10.193 1.00 0.00 C ATOM 1565 C GLY A 101 12.225 5.050 -9.381 1.00 0.00 C ATOM 1566 O GLY A 101 11.499 4.073 -9.586 1.00 0.00 O ATOM 0 H GLY A 101 10.231 6.610 -11.122 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.052 6.644 -10.569 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.725 7.138 -9.536 1.00 0.00 H new ATOM 1570 N ILE A 102 13.188 5.044 -8.456 1.00 0.00 N ATOM 1571 CA ILE A 102 13.672 3.828 -7.784 1.00 0.00 C ATOM 1572 C ILE A 102 14.200 4.037 -6.354 1.00 0.00 C ATOM 1573 O ILE A 102 14.381 3.063 -5.622 1.00 0.00 O ATOM 1574 CB ILE A 102 14.703 3.164 -8.729 1.00 0.00 C ATOM 1575 CG1 ILE A 102 14.956 1.685 -8.370 1.00 0.00 C ATOM 1576 CG2 ILE A 102 16.017 3.970 -8.791 1.00 0.00 C ATOM 1577 CD1 ILE A 102 15.705 0.903 -9.456 1.00 0.00 C ATOM 0 H ILE A 102 13.662 5.893 -8.146 1.00 0.00 H new ATOM 0 HA ILE A 102 12.825 3.164 -7.612 1.00 0.00 H new ATOM 0 HB ILE A 102 14.268 3.173 -9.728 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.527 1.639 -7.443 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.999 1.198 -8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 102 16.717 3.474 -9.464 1.00 0.00 H new ATOM 0 HG22 ILE A 102 15.810 4.975 -9.159 1.00 0.00 H new ATOM 0 HG23 ILE A 102 16.454 4.031 -7.794 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.845 -0.128 -9.131 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.126 0.917 -10.379 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.677 1.364 -9.631 1.00 0.00 H new ATOM 1589 N GLY A 103 14.396 5.284 -5.921 1.00 0.00 N ATOM 1590 CA GLY A 103 14.729 5.636 -4.538 1.00 0.00 C ATOM 1591 C GLY A 103 15.742 6.782 -4.371 1.00 0.00 C ATOM 1592 O GLY A 103 16.140 7.081 -3.242 1.00 0.00 O ATOM 0 H GLY A 103 14.326 6.095 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.810 5.909 -4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 103 15.124 4.750 -4.041 1.00 0.00 H new ATOM 1596 N SER A 104 16.195 7.399 -5.464 1.00 0.00 N ATOM 1597 CA SER A 104 17.292 8.381 -5.486 1.00 0.00 C ATOM 1598 C SER A 104 16.845 9.810 -5.143 1.00 0.00 C ATOM 1599 O SER A 104 15.685 10.186 -5.327 1.00 0.00 O ATOM 1600 CB SER A 104 17.984 8.361 -6.857 1.00 0.00 C ATOM 1601 OG SER A 104 18.556 7.085 -7.105 1.00 0.00 O ATOM 0 H SER A 104 15.800 7.227 -6.388 1.00 0.00 H new ATOM 0 HA SER A 104 17.991 8.082 -4.705 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.263 8.601 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A 104 18.759 9.127 -6.891 1.00 0.00 H new ATOM 0 HG SER A 104 18.992 7.087 -7.983 1.00 0.00 H new ATOM 1607 N LYS A 105 17.786 10.647 -4.682 1.00 0.00 N ATOM 1608 CA LYS A 105 17.564 12.088 -4.460 1.00 0.00 C ATOM 1609 C LYS A 105 17.257 12.807 -5.785 1.00 0.00 C ATOM 1610 O LYS A 105 17.913 12.548 -6.796 1.00 0.00 O ATOM 1611 CB LYS A 105 18.789 12.684 -3.740 1.00 0.00 C ATOM 1612 CG LYS A 105 18.575 14.150 -3.320 1.00 0.00 C ATOM 1613 CD LYS A 105 19.732 14.711 -2.479 1.00 0.00 C ATOM 1614 CE LYS A 105 21.042 14.804 -3.276 1.00 0.00 C ATOM 1615 NZ LYS A 105 22.132 15.409 -2.466 1.00 0.00 N ATOM 0 H LYS A 105 18.731 10.343 -4.450 1.00 0.00 H new ATOM 0 HA LYS A 105 16.691 12.232 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 105 19.013 12.086 -2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.657 12.621 -4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 105 18.452 14.763 -4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 105 17.649 14.227 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 105 19.463 15.701 -2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 105 19.885 14.076 -1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 105 21.341 13.808 -3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 105 20.881 15.400 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 23.002 15.457 -3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 21.856 16.368 -2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 22.302 14.826 -1.622 1.00 0.00 H new ATOM 1629 N ALA A 106 16.277 13.716 -5.764 1.00 0.00 N ATOM 1630 CA ALA A 106 15.832 14.523 -6.910 1.00 0.00 C ATOM 1631 C ALA A 106 15.491 13.707 -8.182 1.00 0.00 C ATOM 1632 O ALA A 106 15.769 14.129 -9.307 1.00 0.00 O ATOM 1633 CB ALA A 106 16.822 15.680 -7.127 1.00 0.00 C ATOM 0 H ALA A 106 15.749 13.920 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 106 14.862 14.955 -6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 106 16.497 16.282 -7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 106 16.856 16.302 -6.233 1.00 0.00 H new ATOM 0 HB3 ALA A 106 17.815 15.277 -7.327 1.00 0.00 H new ATOM 1639 N GLU A 107 14.881 12.527 -8.011 1.00 0.00 N ATOM 1640 CA GLU A 107 14.562 11.595 -9.109 1.00 0.00 C ATOM 1641 C GLU A 107 13.276 11.925 -9.901 1.00 0.00 C ATOM 1642 O GLU A 107 12.951 11.229 -10.869 1.00 0.00 O ATOM 1643 CB GLU A 107 14.561 10.151 -8.579 1.00 0.00 C ATOM 1644 CG GLU A 107 13.386 9.821 -7.640 1.00 0.00 C ATOM 1645 CD GLU A 107 13.530 8.429 -6.998 1.00 0.00 C ATOM 1646 OE1 GLU A 107 14.161 7.529 -7.605 1.00 0.00 O ATOM 1647 OE2 GLU A 107 12.983 8.207 -5.894 1.00 0.00 O ATOM 0 H GLU A 107 14.590 12.185 -7.095 1.00 0.00 H new ATOM 0 HA GLU A 107 15.353 11.715 -9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 107 14.537 9.466 -9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.496 9.970 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 107 13.326 10.576 -6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 107 12.452 9.867 -8.200 1.00 0.00 H new ATOM 1654 N LYS A 108 12.549 12.979 -9.503 1.00 0.00 N ATOM 1655 CA LYS A 108 11.303 13.467 -10.125 1.00 0.00 C ATOM 1656 C LYS A 108 11.532 14.751 -10.937 1.00 0.00 C ATOM 1657 O LYS A 108 12.067 15.736 -10.376 1.00 0.00 O ATOM 1658 CB LYS A 108 10.217 13.662 -9.052 1.00 0.00 C ATOM 1659 CG LYS A 108 9.782 12.342 -8.388 1.00 0.00 C ATOM 1660 CD LYS A 108 8.745 12.558 -7.276 1.00 0.00 C ATOM 1661 CE LYS A 108 7.421 13.123 -7.809 1.00 0.00 C ATOM 1662 NZ LYS A 108 6.450 13.341 -6.710 1.00 0.00 N ATOM 1663 OXT LYS A 108 11.168 14.767 -12.135 1.00 0.00 O ATOM 0 H LYS A 108 12.825 13.544 -8.700 1.00 0.00 H new ATOM 0 HA LYS A 108 10.959 12.711 -10.831 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.589 14.342 -8.286 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.347 14.138 -9.505 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.365 11.678 -9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.657 11.842 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 108 8.555 11.611 -6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.153 13.240 -6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 108 7.606 14.064 -8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.997 12.435 -8.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 5.538 13.642 -7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 6.321 12.456 -6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.809 14.078 -6.070 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.894 -2.994 -7.710 1.00 0.00 ZN