USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 CYS SG : rot 100:sc= -2.05 USER MOD Set 1.2: A 80 SER OG : rot -2:sc= -1.51! USER MOD Set 2.1: A 65 THR OG1 : rot -160:sc= -0.212 USER MOD Set 2.2: A 68 MET CE :methyl -175:sc= -0.892 (180deg=-1.04) USER MOD Set 3.1: A 55 HIS :FLIP no HD1:sc= -3.69 F(o=-5.3,f=-4.6) USER MOD Set 3.2: A 60 THR OG1 : rot 180:sc= -0.916 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.00936 USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= -0.384 (180deg=-1.42!) USER MOD Single : A 54 THR OG1 : rot 77:sc= 0.943 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 150:sc= -1.64 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HE2:sc= -2.44 K(o=-2.4,f=-4.4!) USER MOD Single : A 96 GLN : amide:sc= -0.598 K(o=-0.6,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 54 N TYR A 47 -4.683 4.559 6.449 1.00 0.00 N ATOM 55 CA TYR A 47 -4.139 3.330 5.881 1.00 0.00 C ATOM 56 C TYR A 47 -3.798 2.328 6.978 1.00 0.00 C ATOM 57 O TYR A 47 -2.670 1.843 7.065 1.00 0.00 O ATOM 58 CB TYR A 47 -2.896 3.635 5.042 1.00 0.00 C ATOM 59 CG TYR A 47 -3.073 4.808 4.104 1.00 0.00 C ATOM 60 CD1 TYR A 47 -3.944 4.734 3.024 1.00 0.00 C ATOM 61 CD2 TYR A 47 -2.369 5.990 4.298 1.00 0.00 C ATOM 62 CE1 TYR A 47 -4.109 5.804 2.165 1.00 0.00 C ATOM 63 CE2 TYR A 47 -2.528 7.065 3.444 1.00 0.00 C ATOM 64 CZ TYR A 47 -3.399 6.967 2.379 1.00 0.00 C ATOM 65 OH TYR A 47 -3.561 8.034 1.527 1.00 0.00 O ATOM 0 HA TYR A 47 -4.900 2.889 5.237 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.058 3.837 5.709 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.635 2.751 4.460 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.501 3.825 2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.686 6.070 5.131 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.790 5.730 1.330 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.973 7.977 3.610 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.990 8.775 1.819 1.00 0.00 H new ATOM 75 N SER A 48 -4.785 2.019 7.811 1.00 0.00 N ATOM 76 CA SER A 48 -4.595 1.070 8.900 1.00 0.00 C ATOM 77 C SER A 48 -4.476 -0.347 8.358 1.00 0.00 C ATOM 78 O SER A 48 -3.579 -1.098 8.741 1.00 0.00 O ATOM 79 CB SER A 48 -5.758 1.156 9.890 1.00 0.00 C ATOM 80 OG SER A 48 -7.005 1.133 9.217 1.00 0.00 O ATOM 0 H SER A 48 -5.724 2.412 7.753 1.00 0.00 H new ATOM 0 HA SER A 48 -3.671 1.324 9.419 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.705 0.323 10.591 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.674 2.072 10.475 1.00 0.00 H new ATOM 0 HG SER A 48 -7.732 1.187 9.872 1.00 0.00 H new ATOM 86 N GLU A 49 -5.389 -0.697 7.456 1.00 0.00 N ATOM 87 CA GLU A 49 -5.411 -2.021 6.837 1.00 0.00 C ATOM 88 C GLU A 49 -6.716 -2.235 6.078 1.00 0.00 C ATOM 89 O GLU A 49 -6.719 -2.754 4.964 1.00 0.00 O ATOM 90 CB GLU A 49 -5.251 -3.128 7.890 1.00 0.00 C ATOM 91 CG GLU A 49 -4.233 -4.190 7.509 1.00 0.00 C ATOM 92 CD GLU A 49 -4.218 -5.357 8.477 1.00 0.00 C ATOM 93 OE1 GLU A 49 -5.220 -5.542 9.199 1.00 0.00 O ATOM 94 OE2 GLU A 49 -3.204 -6.085 8.514 1.00 0.00 O ATOM 0 H GLU A 49 -6.131 -0.075 7.134 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.573 -2.072 6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.955 -2.677 8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.217 -3.605 8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.454 -4.557 6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.241 -3.740 7.472 1.00 0.00 H new ATOM 101 N GLU A 50 -7.824 -1.836 6.693 1.00 0.00 N ATOM 102 CA GLU A 50 -9.139 -1.987 6.078 1.00 0.00 C ATOM 103 C GLU A 50 -9.182 -1.349 4.697 1.00 0.00 C ATOM 104 O GLU A 50 -9.457 -2.023 3.705 1.00 0.00 O ATOM 105 CB GLU A 50 -10.221 -1.379 6.974 1.00 0.00 C ATOM 106 CG GLU A 50 -9.827 -0.042 7.589 1.00 0.00 C ATOM 107 CD GLU A 50 -10.712 1.098 7.124 1.00 0.00 C ATOM 108 OE1 GLU A 50 -11.945 1.005 7.305 1.00 0.00 O ATOM 109 OE2 GLU A 50 -10.173 2.084 6.579 1.00 0.00 O ATOM 0 H GLU A 50 -7.838 -1.405 7.617 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.331 -3.054 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.132 -1.246 6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.455 -2.082 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.878 -0.117 8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.791 0.180 7.333 1.00 0.00 H new ATOM 116 N GLU A 51 -8.901 -0.053 4.629 1.00 0.00 N ATOM 117 CA GLU A 51 -8.904 0.646 3.354 1.00 0.00 C ATOM 118 C GLU A 51 -7.896 -0.004 2.419 1.00 0.00 C ATOM 119 O GLU A 51 -8.150 -0.166 1.225 1.00 0.00 O ATOM 120 CB GLU A 51 -8.571 2.127 3.549 1.00 0.00 C ATOM 121 CG GLU A 51 -9.488 3.063 2.779 1.00 0.00 C ATOM 122 CD GLU A 51 -10.517 3.732 3.669 1.00 0.00 C ATOM 123 OE1 GLU A 51 -11.475 3.048 4.086 1.00 0.00 O ATOM 124 OE2 GLU A 51 -10.365 4.940 3.948 1.00 0.00 O ATOM 0 H GLU A 51 -8.671 0.529 5.435 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.899 0.579 2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.629 2.367 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.541 2.303 3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.889 3.827 2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.999 2.503 1.996 1.00 0.00 H new ATOM 131 N LEU A 52 -6.758 -0.394 2.981 1.00 0.00 N ATOM 132 CA LEU A 52 -5.715 -1.050 2.211 1.00 0.00 C ATOM 133 C LEU A 52 -6.240 -2.345 1.606 1.00 0.00 C ATOM 134 O LEU A 52 -6.135 -2.565 0.400 1.00 0.00 O ATOM 135 CB LEU A 52 -4.499 -1.327 3.089 1.00 0.00 C ATOM 136 CG LEU A 52 -3.964 -0.101 3.823 1.00 0.00 C ATOM 137 CD1 LEU A 52 -2.918 -0.502 4.852 1.00 0.00 C ATOM 138 CD2 LEU A 52 -3.390 0.905 2.835 1.00 0.00 C ATOM 0 H LEU A 52 -6.536 -0.266 3.968 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.412 -0.386 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.761 -2.090 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.704 -1.741 2.469 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.793 0.371 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.551 0.388 5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.364 -1.180 5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.088 -1.002 4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.013 1.773 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.575 0.443 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.170 1.220 2.142 1.00 0.00 H new ATOM 150 N LYS A 53 -6.823 -3.197 2.451 1.00 0.00 N ATOM 151 CA LYS A 53 -7.381 -4.461 1.990 1.00 0.00 C ATOM 152 C LYS A 53 -8.382 -4.211 0.871 1.00 0.00 C ATOM 153 O LYS A 53 -8.341 -4.858 -0.175 1.00 0.00 O ATOM 154 CB LYS A 53 -8.053 -5.206 3.147 1.00 0.00 C ATOM 155 CG LYS A 53 -7.572 -6.640 3.308 1.00 0.00 C ATOM 156 CD LYS A 53 -7.677 -7.415 2.004 1.00 0.00 C ATOM 157 CE LYS A 53 -7.698 -8.916 2.246 1.00 0.00 C ATOM 158 NZ LYS A 53 -8.654 -9.292 3.324 1.00 0.00 N ATOM 0 H LYS A 53 -6.919 -3.032 3.453 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.570 -5.081 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.868 -4.663 4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.131 -5.209 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.537 -6.641 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.163 -7.138 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.583 -7.118 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.835 -7.161 1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.971 -9.428 1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.697 -9.254 2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.962 -10.276 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.188 -9.200 4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.481 -8.663 3.289 1.00 0.00 H new ATOM 172 N THR A 54 -9.272 -3.249 1.097 1.00 0.00 N ATOM 173 CA THR A 54 -10.277 -2.887 0.106 1.00 0.00 C ATOM 174 C THR A 54 -9.599 -2.445 -1.181 1.00 0.00 C ATOM 175 O THR A 54 -9.991 -2.844 -2.277 1.00 0.00 O ATOM 176 CB THR A 54 -11.179 -1.773 0.637 1.00 0.00 C ATOM 177 OG1 THR A 54 -11.630 -2.073 1.945 1.00 0.00 O ATOM 178 CG2 THR A 54 -12.398 -1.528 -0.225 1.00 0.00 C ATOM 0 H THR A 54 -9.317 -2.706 1.959 1.00 0.00 H new ATOM 0 HA THR A 54 -10.895 -3.761 -0.099 1.00 0.00 H new ATOM 0 HB THR A 54 -10.562 -0.874 0.629 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.909 -1.903 2.587 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.995 -0.725 0.208 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.083 -1.244 -1.229 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.996 -2.438 -0.276 1.00 0.00 H new ATOM 186 N HIS A 55 -8.561 -1.629 -1.030 1.00 0.00 N ATOM 187 CA HIS A 55 -7.800 -1.138 -2.168 1.00 0.00 C ATOM 188 C HIS A 55 -7.225 -2.310 -2.951 1.00 0.00 C ATOM 189 O HIS A 55 -7.374 -2.394 -4.170 1.00 0.00 O ATOM 190 CB HIS A 55 -6.672 -0.221 -1.688 1.00 0.00 C ATOM 191 CG HIS A 55 -7.158 1.029 -1.023 1.00 0.00 C ATOM 192 ND1 HIS A 55 -6.639 1.747 0.001 1.00 0.00 N flip ATOM 193 CD2 HIS A 55 -8.315 1.680 -1.398 1.00 0.00 C flip ATOM 194 CE1 HIS A 55 -7.483 2.807 0.223 1.00 0.00 C flip ATOM 195 NE2 HIS A 55 -8.485 2.745 -0.634 1.00 0.00 N flip ATOM 0 H HIS A 55 -8.228 -1.294 -0.126 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.462 -0.568 -2.820 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.040 -0.771 -0.991 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.048 0.050 -2.540 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.978 1.368 -2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.349 3.568 0.977 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.259 3.407 -0.696 1.00 0.00 H new ATOM 204 N ILE A 56 -6.578 -3.222 -2.232 1.00 0.00 N ATOM 205 CA ILE A 56 -5.989 -4.406 -2.845 1.00 0.00 C ATOM 206 C ILE A 56 -7.044 -5.218 -3.592 1.00 0.00 C ATOM 207 O ILE A 56 -6.841 -5.616 -4.739 1.00 0.00 O ATOM 208 CB ILE A 56 -5.304 -5.305 -1.795 1.00 0.00 C ATOM 209 CG1 ILE A 56 -4.300 -4.494 -0.974 1.00 0.00 C ATOM 210 CG2 ILE A 56 -4.614 -6.485 -2.468 1.00 0.00 C ATOM 211 CD1 ILE A 56 -4.200 -4.937 0.470 1.00 0.00 C ATOM 0 H ILE A 56 -6.449 -3.163 -1.222 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.237 -4.057 -3.552 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.068 -5.694 -1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.317 -4.572 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.584 -3.442 -1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.137 -7.107 -1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.351 -7.076 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.860 -6.117 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.470 -4.318 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.173 -4.833 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.885 -5.980 0.510 1.00 0.00 H new ATOM 223 N SER A 57 -8.170 -5.464 -2.926 1.00 0.00 N ATOM 224 CA SER A 57 -9.263 -6.234 -3.513 1.00 0.00 C ATOM 225 C SER A 57 -9.682 -5.673 -4.869 1.00 0.00 C ATOM 226 O SER A 57 -9.526 -6.330 -5.899 1.00 0.00 O ATOM 227 CB SER A 57 -10.465 -6.252 -2.566 1.00 0.00 C ATOM 228 OG SER A 57 -11.109 -7.514 -2.583 1.00 0.00 O ATOM 0 H SER A 57 -8.349 -5.140 -1.976 1.00 0.00 H new ATOM 0 HA SER A 57 -8.904 -7.252 -3.665 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.137 -6.021 -1.552 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.172 -5.475 -2.857 1.00 0.00 H new ATOM 0 HG SER A 57 -11.872 -7.500 -1.969 1.00 0.00 H new ATOM 234 N LYS A 58 -10.223 -4.459 -4.861 1.00 0.00 N ATOM 235 CA LYS A 58 -10.675 -3.814 -6.090 1.00 0.00 C ATOM 236 C LYS A 58 -9.521 -3.626 -7.070 1.00 0.00 C ATOM 237 O LYS A 58 -9.687 -3.794 -8.278 1.00 0.00 O ATOM 238 CB LYS A 58 -11.314 -2.461 -5.774 1.00 0.00 C ATOM 239 CG LYS A 58 -12.527 -2.560 -4.863 1.00 0.00 C ATOM 240 CD LYS A 58 -13.491 -1.408 -5.093 1.00 0.00 C ATOM 241 CE LYS A 58 -14.560 -1.352 -4.014 1.00 0.00 C ATOM 242 NZ LYS A 58 -15.769 -0.610 -4.468 1.00 0.00 N ATOM 0 H LYS A 58 -10.359 -3.902 -4.018 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.417 -4.462 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.570 -1.817 -5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.609 -1.981 -6.707 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.040 -3.506 -5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.203 -2.562 -3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.939 -0.468 -5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.963 -1.517 -6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.842 -2.366 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.153 -0.872 -3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.474 -0.594 -3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.505 0.365 -4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.173 -1.082 -5.302 1.00 0.00 H new ATOM 256 N GLY A 59 -8.353 -3.276 -6.543 1.00 0.00 N ATOM 257 CA GLY A 59 -7.192 -3.070 -7.389 1.00 0.00 C ATOM 258 C GLY A 59 -6.767 -1.616 -7.448 1.00 0.00 C ATOM 259 O GLY A 59 -6.118 -1.190 -8.404 1.00 0.00 O ATOM 0 H GLY A 59 -8.189 -3.131 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.364 -3.672 -7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.414 -3.421 -8.397 1.00 0.00 H new ATOM 263 N THR A 60 -7.133 -0.853 -6.424 1.00 0.00 N ATOM 264 CA THR A 60 -6.784 0.562 -6.360 1.00 0.00 C ATOM 265 C THR A 60 -5.544 0.781 -5.498 1.00 0.00 C ATOM 266 O THR A 60 -4.945 1.856 -5.524 1.00 0.00 O ATOM 267 CB THR A 60 -7.956 1.372 -5.804 1.00 0.00 C ATOM 268 OG1 THR A 60 -8.369 0.861 -4.549 1.00 0.00 O ATOM 269 CG2 THR A 60 -9.163 1.381 -6.716 1.00 0.00 C ATOM 0 H THR A 60 -7.672 -1.191 -5.626 1.00 0.00 H new ATOM 0 HA THR A 60 -6.563 0.902 -7.372 1.00 0.00 H new ATOM 0 HB THR A 60 -7.583 2.392 -5.711 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.118 1.394 -4.209 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.958 1.973 -6.262 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.890 1.817 -7.677 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.513 0.360 -6.867 1.00 0.00 H new ATOM 277 N LEU A 61 -5.157 -0.241 -4.738 1.00 0.00 N ATOM 278 CA LEU A 61 -3.983 -0.145 -3.881 1.00 0.00 C ATOM 279 C LEU A 61 -2.742 0.164 -4.710 1.00 0.00 C ATOM 280 O LEU A 61 -1.801 0.787 -4.224 1.00 0.00 O ATOM 281 CB LEU A 61 -3.780 -1.446 -3.097 1.00 0.00 C ATOM 282 CG LEU A 61 -2.574 -1.461 -2.150 1.00 0.00 C ATOM 283 CD1 LEU A 61 -1.286 -1.703 -2.922 1.00 0.00 C ATOM 284 CD2 LEU A 61 -2.490 -0.159 -1.364 1.00 0.00 C ATOM 0 H LEU A 61 -5.638 -1.140 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.144 0.668 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.680 -1.644 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.673 -2.266 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.708 -2.280 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.443 -1.710 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.343 -2.664 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.147 -0.909 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.627 -0.191 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.384 0.677 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.398 -0.030 -0.775 1.00 0.00 H new ATOM 296 N GLY A 62 -2.755 -0.271 -5.969 1.00 0.00 N ATOM 297 CA GLY A 62 -1.630 -0.027 -6.853 1.00 0.00 C ATOM 298 C GLY A 62 -1.723 1.316 -7.560 1.00 0.00 C ATOM 299 O GLY A 62 -0.995 1.569 -8.520 1.00 0.00 O ATOM 0 H GLY A 62 -3.526 -0.788 -6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.705 -0.067 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.578 -0.822 -7.597 1.00 0.00 H new ATOM 303 N LYS A 63 -2.626 2.176 -7.093 1.00 0.00 N ATOM 304 CA LYS A 63 -2.809 3.492 -7.693 1.00 0.00 C ATOM 305 C LYS A 63 -2.016 4.560 -6.940 1.00 0.00 C ATOM 306 O LYS A 63 -1.352 5.399 -7.549 1.00 0.00 O ATOM 307 CB LYS A 63 -4.294 3.861 -7.715 1.00 0.00 C ATOM 308 CG LYS A 63 -4.777 4.356 -9.069 1.00 0.00 C ATOM 309 CD LYS A 63 -6.100 5.097 -8.953 1.00 0.00 C ATOM 310 CE LYS A 63 -7.041 4.739 -10.091 1.00 0.00 C ATOM 311 NZ LYS A 63 -6.781 5.557 -11.307 1.00 0.00 N ATOM 0 H LYS A 63 -3.241 1.984 -6.302 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.434 3.449 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.881 2.989 -7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.479 4.633 -6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.027 5.015 -9.505 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.891 3.510 -9.747 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.571 4.855 -8.000 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.918 6.172 -8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.930 3.682 -10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.072 4.886 -9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.444 5.281 -12.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.911 6.564 -11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.805 5.398 -11.630 1.00 0.00 H new ATOM 325 N PHE A 64 -2.102 4.528 -5.612 1.00 0.00 N ATOM 326 CA PHE A 64 -1.407 5.497 -4.763 1.00 0.00 C ATOM 327 C PHE A 64 0.038 5.711 -5.206 1.00 0.00 C ATOM 328 O PHE A 64 0.709 4.781 -5.654 1.00 0.00 O ATOM 329 CB PHE A 64 -1.435 5.043 -3.303 1.00 0.00 C ATOM 330 CG PHE A 64 -2.802 4.632 -2.835 1.00 0.00 C ATOM 331 CD1 PHE A 64 -3.843 5.545 -2.816 1.00 0.00 C ATOM 332 CD2 PHE A 64 -3.046 3.334 -2.416 1.00 0.00 C ATOM 333 CE1 PHE A 64 -5.103 5.172 -2.389 1.00 0.00 C ATOM 334 CE2 PHE A 64 -4.304 2.954 -1.988 1.00 0.00 C ATOM 335 CZ PHE A 64 -5.334 3.875 -1.975 1.00 0.00 C ATOM 0 H PHE A 64 -2.649 3.838 -5.097 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.933 6.447 -4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.748 4.206 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.070 5.853 -2.671 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.668 6.561 -3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.244 2.611 -2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.906 5.894 -2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.482 1.939 -1.664 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.318 3.581 -1.642 1.00 0.00 H new ATOM 345 N THR A 65 0.509 6.946 -5.065 1.00 0.00 N ATOM 346 CA THR A 65 1.874 7.298 -5.436 1.00 0.00 C ATOM 347 C THR A 65 2.869 6.755 -4.418 1.00 0.00 C ATOM 348 O THR A 65 2.520 5.938 -3.567 1.00 0.00 O ATOM 349 CB THR A 65 2.016 8.818 -5.548 1.00 0.00 C ATOM 350 OG1 THR A 65 1.970 9.421 -4.267 1.00 0.00 O ATOM 351 CG2 THR A 65 0.940 9.458 -6.397 1.00 0.00 C ATOM 0 H THR A 65 -0.038 7.723 -4.694 1.00 0.00 H new ATOM 0 HA THR A 65 2.091 6.848 -6.405 1.00 0.00 H new ATOM 0 HB THR A 65 2.980 8.984 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.744 10.370 -4.360 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.099 10.536 -6.435 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.982 9.049 -7.407 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.038 9.251 -5.962 1.00 0.00 H new ATOM 359 N VAL A 66 4.109 7.215 -4.517 1.00 0.00 N ATOM 360 CA VAL A 66 5.166 6.780 -3.615 1.00 0.00 C ATOM 361 C VAL A 66 5.040 7.440 -2.237 1.00 0.00 C ATOM 362 O VAL A 66 4.952 6.745 -1.224 1.00 0.00 O ATOM 363 CB VAL A 66 6.555 7.088 -4.214 1.00 0.00 C ATOM 364 CG1 VAL A 66 7.661 6.851 -3.193 1.00 0.00 C ATOM 365 CG2 VAL A 66 6.790 6.253 -5.466 1.00 0.00 C ATOM 0 H VAL A 66 4.408 7.893 -5.217 1.00 0.00 H new ATOM 0 HA VAL A 66 5.060 5.703 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 66 6.578 8.142 -4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.627 7.076 -3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.504 7.498 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.644 5.809 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.774 6.482 -5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.740 5.194 -5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.025 6.485 -6.207 1.00 0.00 H new ATOM 375 N PRO A 67 5.031 8.787 -2.167 1.00 0.00 N ATOM 376 CA PRO A 67 4.917 9.506 -0.894 1.00 0.00 C ATOM 377 C PRO A 67 3.755 9.004 -0.045 1.00 0.00 C ATOM 378 O PRO A 67 3.841 8.963 1.182 1.00 0.00 O ATOM 379 CB PRO A 67 4.694 10.970 -1.307 1.00 0.00 C ATOM 380 CG PRO A 67 4.447 10.945 -2.780 1.00 0.00 C ATOM 381 CD PRO A 67 5.132 9.715 -3.301 1.00 0.00 C ATOM 0 HA PRO A 67 5.803 9.364 -0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.846 11.401 -0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.564 11.581 -1.067 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.379 10.916 -2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.843 11.842 -3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.639 9.323 -4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.169 9.913 -3.572 1.00 0.00 H new ATOM 389 N MET A 68 2.671 8.616 -0.706 1.00 0.00 N ATOM 390 CA MET A 68 1.493 8.108 -0.010 1.00 0.00 C ATOM 391 C MET A 68 1.692 6.648 0.380 1.00 0.00 C ATOM 392 O MET A 68 1.212 6.198 1.420 1.00 0.00 O ATOM 393 CB MET A 68 0.251 8.250 -0.893 1.00 0.00 C ATOM 394 CG MET A 68 -0.239 9.682 -1.028 1.00 0.00 C ATOM 395 SD MET A 68 -1.950 9.781 -1.588 1.00 0.00 S ATOM 396 CE MET A 68 -1.863 8.837 -3.107 1.00 0.00 C ATOM 0 H MET A 68 2.582 8.643 -1.722 1.00 0.00 H new ATOM 0 HA MET A 68 1.350 8.696 0.897 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.474 7.856 -1.885 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.551 7.638 -0.479 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.146 10.186 -0.066 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.401 10.216 -1.731 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.825 8.881 -3.618 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.090 9.255 -3.752 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.621 7.799 -2.877 1.00 0.00 H new ATOM 406 N LEU A 69 2.409 5.916 -0.465 1.00 0.00 N ATOM 407 CA LEU A 69 2.689 4.506 -0.222 1.00 0.00 C ATOM 408 C LEU A 69 3.485 4.323 1.065 1.00 0.00 C ATOM 409 O LEU A 69 3.217 3.411 1.847 1.00 0.00 O ATOM 410 CB LEU A 69 3.453 3.921 -1.406 1.00 0.00 C ATOM 411 CG LEU A 69 2.576 3.326 -2.506 1.00 0.00 C ATOM 412 CD1 LEU A 69 3.299 3.369 -3.847 1.00 0.00 C ATOM 413 CD2 LEU A 69 2.169 1.902 -2.152 1.00 0.00 C ATOM 0 H LEU A 69 2.809 6.279 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 69 1.742 3.978 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.075 4.703 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.126 3.146 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 69 1.670 3.926 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.659 2.941 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.533 4.403 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.223 2.794 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.545 1.494 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.061 1.286 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.609 1.905 -1.217 1.00 0.00 H new ATOM 425 N LYS A 70 4.461 5.198 1.283 1.00 0.00 N ATOM 426 CA LYS A 70 5.293 5.136 2.481 1.00 0.00 C ATOM 427 C LYS A 70 4.430 5.052 3.738 1.00 0.00 C ATOM 428 O LYS A 70 4.769 4.353 4.692 1.00 0.00 O ATOM 429 CB LYS A 70 6.212 6.358 2.553 1.00 0.00 C ATOM 430 CG LYS A 70 7.690 6.004 2.602 1.00 0.00 C ATOM 431 CD LYS A 70 8.399 6.376 1.307 1.00 0.00 C ATOM 432 CE LYS A 70 9.385 5.300 0.879 1.00 0.00 C ATOM 433 NZ LYS A 70 10.795 5.772 0.967 1.00 0.00 N ATOM 0 H LYS A 70 4.696 5.959 0.646 1.00 0.00 H new ATOM 0 HA LYS A 70 5.905 4.236 2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.027 6.993 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.957 6.943 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.161 6.522 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.803 4.935 2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.662 6.529 0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.926 7.321 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.257 4.419 1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.168 4.995 -0.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.436 5.010 0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.924 6.597 0.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.011 6.039 1.949 1.00 0.00 H new ATOM 447 N GLU A 71 3.311 5.772 3.729 1.00 0.00 N ATOM 448 CA GLU A 71 2.395 5.781 4.865 1.00 0.00 C ATOM 449 C GLU A 71 1.934 4.368 5.206 1.00 0.00 C ATOM 450 O GLU A 71 2.128 3.896 6.326 1.00 0.00 O ATOM 451 CB GLU A 71 1.187 6.673 4.567 1.00 0.00 C ATOM 452 CG GLU A 71 1.151 7.944 5.399 1.00 0.00 C ATOM 453 CD GLU A 71 0.173 7.857 6.555 1.00 0.00 C ATOM 454 OE1 GLU A 71 -1.031 8.105 6.334 1.00 0.00 O ATOM 455 OE2 GLU A 71 0.612 7.541 7.680 1.00 0.00 O ATOM 0 H GLU A 71 3.017 6.357 2.947 1.00 0.00 H new ATOM 0 HA GLU A 71 2.928 6.183 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.195 6.940 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.274 6.106 4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.149 8.148 5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.879 8.784 4.760 1.00 0.00 H new ATOM 462 N ALA A 72 1.328 3.692 4.233 1.00 0.00 N ATOM 463 CA ALA A 72 0.849 2.330 4.439 1.00 0.00 C ATOM 464 C ALA A 72 1.992 1.421 4.870 1.00 0.00 C ATOM 465 O ALA A 72 1.849 0.622 5.795 1.00 0.00 O ATOM 466 CB ALA A 72 0.196 1.801 3.172 1.00 0.00 C ATOM 0 H ALA A 72 1.158 4.064 3.299 1.00 0.00 H new ATOM 0 HA ALA A 72 0.103 2.343 5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.156 0.784 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.648 2.437 2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.923 1.802 2.360 1.00 0.00 H new ATOM 472 N CYS A 73 3.130 1.557 4.198 1.00 0.00 N ATOM 473 CA CYS A 73 4.303 0.756 4.518 1.00 0.00 C ATOM 474 C CYS A 73 4.742 1.006 5.956 1.00 0.00 C ATOM 475 O CYS A 73 5.174 0.089 6.652 1.00 0.00 O ATOM 476 CB CYS A 73 5.447 1.078 3.555 1.00 0.00 C ATOM 477 SG CYS A 73 5.606 -0.091 2.186 1.00 0.00 S ATOM 0 H CYS A 73 3.264 2.214 3.429 1.00 0.00 H new ATOM 0 HA CYS A 73 4.041 -0.297 4.411 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.296 2.078 3.149 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.383 1.098 4.113 1.00 0.00 H new ATOM 0 HG CYS A 73 5.060 0.413 1.119 1.00 0.00 H new ATOM 483 N ARG A 74 4.624 2.256 6.396 1.00 0.00 N ATOM 484 CA ARG A 74 5.002 2.625 7.754 1.00 0.00 C ATOM 485 C ARG A 74 4.140 1.887 8.771 1.00 0.00 C ATOM 486 O ARG A 74 4.617 1.487 9.833 1.00 0.00 O ATOM 487 CB ARG A 74 4.867 4.137 7.951 1.00 0.00 C ATOM 488 CG ARG A 74 6.078 4.923 7.476 1.00 0.00 C ATOM 489 CD ARG A 74 6.228 6.230 8.238 1.00 0.00 C ATOM 490 NE ARG A 74 6.702 7.313 7.379 1.00 0.00 N ATOM 491 CZ ARG A 74 6.620 8.603 7.699 1.00 0.00 C ATOM 492 NH1 ARG A 74 6.085 8.975 8.855 1.00 0.00 N ATOM 493 NH2 ARG A 74 7.075 9.523 6.860 1.00 0.00 N ATOM 0 H ARG A 74 4.270 3.028 5.832 1.00 0.00 H new ATOM 0 HA ARG A 74 6.043 2.340 7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.984 4.487 7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.702 4.344 9.008 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.977 4.321 7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.983 5.131 6.410 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.269 6.507 8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.926 6.090 9.064 1.00 0.00 H new ATOM 0 HE ARG A 74 7.120 7.066 6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.734 8.271 9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.025 9.965 9.094 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.487 9.242 5.970 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.013 10.511 7.104 1.00 0.00 H new ATOM 507 N ALA A 75 2.866 1.708 8.436 1.00 0.00 N ATOM 508 CA ALA A 75 1.932 1.016 9.315 1.00 0.00 C ATOM 509 C ALA A 75 2.113 -0.494 9.224 1.00 0.00 C ATOM 510 O ALA A 75 1.911 -1.214 10.202 1.00 0.00 O ATOM 511 CB ALA A 75 0.500 1.400 8.971 1.00 0.00 C ATOM 0 H ALA A 75 2.457 2.034 7.560 1.00 0.00 H new ATOM 0 HA ALA A 75 2.141 1.321 10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.187 0.876 9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.373 2.476 9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.287 1.124 7.938 1.00 0.00 H new ATOM 517 N TYR A 76 2.496 -0.968 8.043 1.00 0.00 N ATOM 518 CA TYR A 76 2.706 -2.396 7.825 1.00 0.00 C ATOM 519 C TYR A 76 4.102 -2.823 8.272 1.00 0.00 C ATOM 520 O TYR A 76 4.323 -3.983 8.620 1.00 0.00 O ATOM 521 CB TYR A 76 2.503 -2.744 6.349 1.00 0.00 C ATOM 522 CG TYR A 76 1.080 -3.121 6.005 1.00 0.00 C ATOM 523 CD1 TYR A 76 0.005 -2.472 6.600 1.00 0.00 C ATOM 524 CD2 TYR A 76 0.811 -4.130 5.088 1.00 0.00 C ATOM 525 CE1 TYR A 76 -1.296 -2.818 6.291 1.00 0.00 C ATOM 526 CE2 TYR A 76 -0.488 -4.480 4.773 1.00 0.00 C ATOM 527 CZ TYR A 76 -1.538 -3.822 5.376 1.00 0.00 C ATOM 528 OH TYR A 76 -2.833 -4.173 5.064 1.00 0.00 O ATOM 0 H TYR A 76 2.667 -0.386 7.223 1.00 0.00 H new ATOM 0 HA TYR A 76 1.974 -2.937 8.425 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.801 -1.891 5.739 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.163 -3.571 6.085 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.190 -1.684 7.316 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.631 -4.649 4.614 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.120 -2.305 6.764 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.680 -5.266 4.057 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.870 -4.501 4.141 1.00 0.00 H new ATOM 538 N GLY A 77 5.040 -1.882 8.260 1.00 0.00 N ATOM 539 CA GLY A 77 6.399 -2.185 8.668 1.00 0.00 C ATOM 540 C GLY A 77 7.210 -2.832 7.561 1.00 0.00 C ATOM 541 O GLY A 77 8.181 -3.540 7.829 1.00 0.00 O ATOM 0 H GLY A 77 4.883 -0.915 7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.892 -1.266 8.985 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.376 -2.849 9.532 1.00 0.00 H new ATOM 545 N LEU A 78 6.815 -2.588 6.316 1.00 0.00 N ATOM 546 CA LEU A 78 7.515 -3.152 5.168 1.00 0.00 C ATOM 547 C LEU A 78 8.756 -2.331 4.832 1.00 0.00 C ATOM 548 O LEU A 78 9.010 -1.293 5.443 1.00 0.00 O ATOM 549 CB LEU A 78 6.585 -3.212 3.954 1.00 0.00 C ATOM 550 CG LEU A 78 5.261 -3.942 4.189 1.00 0.00 C ATOM 551 CD1 LEU A 78 4.171 -3.369 3.297 1.00 0.00 C ATOM 552 CD2 LEU A 78 5.425 -5.434 3.941 1.00 0.00 C ATOM 0 H LEU A 78 6.014 -2.004 6.076 1.00 0.00 H new ATOM 0 HA LEU A 78 7.828 -4.164 5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.369 -2.194 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.112 -3.702 3.135 1.00 0.00 H new ATOM 0 HG LEU A 78 4.966 -3.796 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.236 -3.900 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.036 -2.311 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.458 -3.485 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.474 -5.938 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.742 -5.599 2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.176 -5.835 4.621 1.00 0.00 H new ATOM 564 N LYS A 79 9.526 -2.803 3.857 1.00 0.00 N ATOM 565 CA LYS A 79 10.740 -2.111 3.441 1.00 0.00 C ATOM 566 C LYS A 79 10.475 -1.238 2.221 1.00 0.00 C ATOM 567 O LYS A 79 10.762 -0.041 2.224 1.00 0.00 O ATOM 568 CB LYS A 79 11.848 -3.119 3.132 1.00 0.00 C ATOM 569 CG LYS A 79 13.229 -2.657 3.566 1.00 0.00 C ATOM 570 CD LYS A 79 13.955 -1.936 2.441 1.00 0.00 C ATOM 571 CE LYS A 79 15.424 -2.326 2.385 1.00 0.00 C ATOM 572 NZ LYS A 79 16.205 -1.426 1.493 1.00 0.00 N ATOM 0 H LYS A 79 9.331 -3.661 3.341 1.00 0.00 H new ATOM 0 HA LYS A 79 11.063 -1.470 4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.618 -4.063 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.860 -3.316 2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.138 -1.993 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.817 -3.517 3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.478 -2.172 1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.869 -0.859 2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.846 -2.296 3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.513 -3.353 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.201 -1.726 1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.819 -1.473 0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.141 -0.449 1.844 1.00 0.00 H new ATOM 586 N SER A 80 9.922 -1.851 1.180 1.00 0.00 N ATOM 587 CA SER A 80 9.607 -1.143 -0.059 1.00 0.00 C ATOM 588 C SER A 80 10.764 -0.244 -0.496 1.00 0.00 C ATOM 589 O SER A 80 11.877 -0.356 0.020 1.00 0.00 O ATOM 590 CB SER A 80 8.337 -0.311 0.121 1.00 0.00 C ATOM 591 OG SER A 80 8.552 0.758 1.027 1.00 0.00 O ATOM 0 H SER A 80 9.681 -2.842 1.169 1.00 0.00 H new ATOM 0 HA SER A 80 9.444 -1.886 -0.839 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.017 0.084 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.531 -0.946 0.488 1.00 0.00 H new ATOM 0 HG SER A 80 9.467 0.713 1.375 1.00 0.00 H new ATOM 597 N GLY A 81 10.495 0.644 -1.448 1.00 0.00 N ATOM 598 CA GLY A 81 11.526 1.544 -1.934 1.00 0.00 C ATOM 599 C GLY A 81 10.967 2.885 -2.369 1.00 0.00 C ATOM 600 O GLY A 81 10.489 3.662 -1.543 1.00 0.00 O ATOM 0 H GLY A 81 9.583 0.757 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 81 12.267 1.700 -1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.043 1.080 -2.774 1.00 0.00 H new ATOM 604 N LEU A 82 11.024 3.153 -3.671 1.00 0.00 N ATOM 605 CA LEU A 82 10.520 4.411 -4.216 1.00 0.00 C ATOM 606 C LEU A 82 10.085 4.253 -5.674 1.00 0.00 C ATOM 607 O LEU A 82 9.852 5.242 -6.369 1.00 0.00 O ATOM 608 CB LEU A 82 11.590 5.505 -4.120 1.00 0.00 C ATOM 609 CG LEU A 82 12.497 5.436 -2.888 1.00 0.00 C ATOM 610 CD1 LEU A 82 13.521 4.319 -3.036 1.00 0.00 C ATOM 611 CD2 LEU A 82 13.190 6.772 -2.667 1.00 0.00 C ATOM 0 H LEU A 82 11.413 2.517 -4.367 1.00 0.00 H new ATOM 0 HA LEU A 82 9.651 4.698 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.214 5.457 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.094 6.476 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 82 11.880 5.217 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.155 4.287 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.005 3.365 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.136 4.504 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.831 6.708 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.795 7.017 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.441 7.549 -2.514 1.00 0.00 H new ATOM 623 N LYS A 83 9.966 3.008 -6.133 1.00 0.00 N ATOM 624 CA LYS A 83 9.547 2.733 -7.504 1.00 0.00 C ATOM 625 C LYS A 83 8.023 2.726 -7.628 1.00 0.00 C ATOM 626 O LYS A 83 7.483 2.358 -8.671 1.00 0.00 O ATOM 627 CB LYS A 83 10.110 1.389 -7.967 1.00 0.00 C ATOM 628 CG LYS A 83 9.984 1.161 -9.465 1.00 0.00 C ATOM 629 CD LYS A 83 11.305 0.725 -10.079 1.00 0.00 C ATOM 630 CE LYS A 83 12.244 1.904 -10.275 1.00 0.00 C ATOM 631 NZ LYS A 83 11.974 2.623 -11.551 1.00 0.00 N ATOM 0 H LYS A 83 10.154 2.175 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 83 9.938 3.528 -8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.161 1.328 -7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.592 0.587 -7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.226 0.402 -9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.644 2.078 -9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.779 -0.016 -9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.120 0.243 -11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.138 2.596 -9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.275 1.552 -10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.635 3.420 -11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.100 1.970 -12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.998 2.982 -11.548 1.00 0.00 H new ATOM 645 N LYS A 84 7.336 3.123 -6.558 1.00 0.00 N ATOM 646 CA LYS A 84 5.876 3.153 -6.542 1.00 0.00 C ATOM 647 C LYS A 84 5.311 1.736 -6.506 1.00 0.00 C ATOM 648 O LYS A 84 4.916 1.246 -5.449 1.00 0.00 O ATOM 649 CB LYS A 84 5.330 3.918 -7.753 1.00 0.00 C ATOM 650 CG LYS A 84 3.825 4.123 -7.713 1.00 0.00 C ATOM 651 CD LYS A 84 3.406 5.336 -8.527 1.00 0.00 C ATOM 652 CE LYS A 84 2.025 5.150 -9.134 1.00 0.00 C ATOM 653 NZ LYS A 84 1.598 6.340 -9.919 1.00 0.00 N ATOM 0 H LYS A 84 7.770 3.429 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 84 5.559 3.676 -5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.820 4.890 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.591 3.377 -8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.325 3.234 -8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.501 4.247 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.409 6.221 -7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.133 5.512 -9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.028 4.272 -9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.302 4.960 -8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.651 6.173 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.571 7.174 -9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.273 6.506 -10.692 1.00 0.00 H new ATOM 667 N GLN A 85 5.281 1.076 -7.662 1.00 0.00 N ATOM 668 CA GLN A 85 4.771 -0.290 -7.753 1.00 0.00 C ATOM 669 C GLN A 85 5.356 -1.168 -6.654 1.00 0.00 C ATOM 670 O GLN A 85 4.657 -1.989 -6.063 1.00 0.00 O ATOM 671 CB GLN A 85 5.093 -0.886 -9.120 1.00 0.00 C ATOM 672 CG GLN A 85 4.291 -2.136 -9.445 1.00 0.00 C ATOM 673 CD GLN A 85 3.601 -2.054 -10.792 1.00 0.00 C ATOM 674 OE1 GLN A 85 4.182 -2.397 -11.822 1.00 0.00 O ATOM 675 NE2 GLN A 85 2.353 -1.597 -10.792 1.00 0.00 N ATOM 0 H GLN A 85 5.604 1.465 -8.548 1.00 0.00 H new ATOM 0 HA GLN A 85 3.689 -0.253 -7.624 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.906 -0.135 -9.887 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.156 -1.126 -9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.954 -3.001 -9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.544 -2.296 -8.668 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.910 -1.324 -9.915 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.838 -1.519 -11.669 1.00 0.00 H new ATOM 684 N GLU A 86 6.643 -0.985 -6.385 1.00 0.00 N ATOM 685 CA GLU A 86 7.325 -1.759 -5.352 1.00 0.00 C ATOM 686 C GLU A 86 6.575 -1.668 -4.027 1.00 0.00 C ATOM 687 O GLU A 86 6.283 -2.686 -3.400 1.00 0.00 O ATOM 688 CB GLU A 86 8.766 -1.273 -5.181 1.00 0.00 C ATOM 689 CG GLU A 86 9.799 -2.382 -5.295 1.00 0.00 C ATOM 690 CD GLU A 86 9.694 -3.144 -6.602 1.00 0.00 C ATOM 691 OE1 GLU A 86 10.098 -2.591 -7.646 1.00 0.00 O ATOM 692 OE2 GLU A 86 9.207 -4.294 -6.581 1.00 0.00 O ATOM 0 H GLU A 86 7.236 -0.309 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 86 7.345 -2.803 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.976 -0.513 -5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.866 -0.793 -4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.798 -1.954 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.675 -3.076 -4.463 1.00 0.00 H new ATOM 699 N LEU A 87 6.246 -0.448 -3.616 1.00 0.00 N ATOM 700 CA LEU A 87 5.507 -0.244 -2.377 1.00 0.00 C ATOM 701 C LEU A 87 4.159 -0.936 -2.482 1.00 0.00 C ATOM 702 O LEU A 87 3.768 -1.704 -1.604 1.00 0.00 O ATOM 703 CB LEU A 87 5.309 1.252 -2.108 1.00 0.00 C ATOM 704 CG LEU A 87 6.592 2.045 -1.848 1.00 0.00 C ATOM 705 CD1 LEU A 87 6.571 3.360 -2.613 1.00 0.00 C ATOM 706 CD2 LEU A 87 6.772 2.298 -0.359 1.00 0.00 C ATOM 0 H LEU A 87 6.478 0.409 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 87 6.074 -0.668 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.796 1.693 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.650 1.366 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 87 7.437 1.454 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.491 3.910 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.490 3.158 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.716 3.955 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.689 2.863 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.923 2.867 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.833 1.345 0.167 1.00 0.00 H new ATOM 718 N LEU A 88 3.464 -0.672 -3.583 1.00 0.00 N ATOM 719 CA LEU A 88 2.168 -1.283 -3.835 1.00 0.00 C ATOM 720 C LEU A 88 2.273 -2.798 -3.703 1.00 0.00 C ATOM 721 O LEU A 88 1.493 -3.426 -2.987 1.00 0.00 O ATOM 722 CB LEU A 88 1.657 -0.902 -5.230 1.00 0.00 C ATOM 723 CG LEU A 88 1.753 0.589 -5.574 1.00 0.00 C ATOM 724 CD1 LEU A 88 1.544 0.816 -7.064 1.00 0.00 C ATOM 725 CD2 LEU A 88 0.745 1.391 -4.763 1.00 0.00 C ATOM 0 H LEU A 88 3.779 -0.037 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 88 1.456 -0.913 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.220 -1.467 -5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.616 -1.212 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 88 2.755 0.933 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.617 1.881 -7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.308 0.277 -7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.558 0.453 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.828 2.447 -5.021 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.263 1.041 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.947 1.260 -3.700 1.00 0.00 H new ATOM 737 N GLU A 89 3.259 -3.377 -4.388 1.00 0.00 N ATOM 738 CA GLU A 89 3.484 -4.816 -4.336 1.00 0.00 C ATOM 739 C GLU A 89 3.639 -5.282 -2.895 1.00 0.00 C ATOM 740 O GLU A 89 2.952 -6.203 -2.453 1.00 0.00 O ATOM 741 CB GLU A 89 4.723 -5.195 -5.149 1.00 0.00 C ATOM 742 CG GLU A 89 4.901 -6.694 -5.324 1.00 0.00 C ATOM 743 CD GLU A 89 5.748 -7.044 -6.532 1.00 0.00 C ATOM 744 OE1 GLU A 89 5.345 -6.695 -7.661 1.00 0.00 O ATOM 745 OE2 GLU A 89 6.815 -7.667 -6.348 1.00 0.00 O ATOM 0 H GLU A 89 3.913 -2.869 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 89 2.616 -5.313 -4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.659 -4.728 -6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.607 -4.787 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.364 -7.108 -4.428 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.922 -7.163 -5.423 1.00 0.00 H new ATOM 752 N ALA A 90 4.541 -4.633 -2.159 1.00 0.00 N ATOM 753 CA ALA A 90 4.771 -4.980 -0.763 1.00 0.00 C ATOM 754 C ALA A 90 3.451 -5.010 -0.007 1.00 0.00 C ATOM 755 O ALA A 90 3.203 -5.902 0.804 1.00 0.00 O ATOM 756 CB ALA A 90 5.733 -3.992 -0.121 1.00 0.00 C ATOM 0 H ALA A 90 5.120 -3.869 -2.507 1.00 0.00 H new ATOM 0 HA ALA A 90 5.220 -5.972 -0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.894 -4.266 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.684 -4.013 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.311 -2.988 -0.172 1.00 0.00 H new ATOM 762 N LEU A 91 2.601 -4.033 -0.298 1.00 0.00 N ATOM 763 CA LEU A 91 1.292 -3.946 0.333 1.00 0.00 C ATOM 764 C LEU A 91 0.429 -5.123 -0.081 1.00 0.00 C ATOM 765 O LEU A 91 0.012 -5.929 0.751 1.00 0.00 O ATOM 766 CB LEU A 91 0.600 -2.645 -0.066 1.00 0.00 C ATOM 767 CG LEU A 91 0.935 -1.437 0.811 1.00 0.00 C ATOM 768 CD1 LEU A 91 1.061 -0.178 -0.035 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.121 -1.254 1.891 1.00 0.00 C ATOM 0 H LEU A 91 2.796 -3.289 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 91 1.429 -3.965 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.866 -2.411 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.478 -2.803 -0.043 1.00 0.00 H new ATOM 0 HG LEU A 91 1.894 -1.619 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.299 0.670 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.855 -0.311 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.119 0.010 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.133 -0.390 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.094 -1.095 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.160 -2.146 2.517 1.00 0.00 H new ATOM 781 N THR A 92 0.170 -5.217 -1.379 1.00 0.00 N ATOM 782 CA THR A 92 -0.637 -6.298 -1.919 1.00 0.00 C ATOM 783 C THR A 92 -0.125 -7.641 -1.406 1.00 0.00 C ATOM 784 O THR A 92 -0.864 -8.405 -0.789 1.00 0.00 O ATOM 785 CB THR A 92 -0.605 -6.246 -3.447 1.00 0.00 C ATOM 786 OG1 THR A 92 -1.406 -5.180 -3.926 1.00 0.00 O ATOM 787 CG2 THR A 92 -1.091 -7.514 -4.111 1.00 0.00 C ATOM 0 H THR A 92 0.509 -4.555 -2.077 1.00 0.00 H new ATOM 0 HA THR A 92 -1.669 -6.182 -1.589 1.00 0.00 H new ATOM 0 HB THR A 92 0.445 -6.107 -3.704 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.373 -5.160 -4.905 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.039 -7.401 -5.194 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.463 -8.350 -3.803 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.122 -7.707 -3.816 1.00 0.00 H new ATOM 795 N LYS A 93 1.153 -7.910 -1.655 1.00 0.00 N ATOM 796 CA LYS A 93 1.780 -9.148 -1.205 1.00 0.00 C ATOM 797 C LYS A 93 1.475 -9.415 0.268 1.00 0.00 C ATOM 798 O LYS A 93 1.354 -10.566 0.689 1.00 0.00 O ATOM 799 CB LYS A 93 3.293 -9.083 -1.419 1.00 0.00 C ATOM 800 CG LYS A 93 3.708 -9.229 -2.875 1.00 0.00 C ATOM 801 CD LYS A 93 4.864 -10.204 -3.033 1.00 0.00 C ATOM 802 CE LYS A 93 4.380 -11.645 -3.036 1.00 0.00 C ATOM 803 NZ LYS A 93 5.455 -12.593 -2.633 1.00 0.00 N ATOM 0 H LYS A 93 1.776 -7.286 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 93 1.369 -9.967 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.665 -8.132 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.769 -9.870 -0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.858 -9.574 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.996 -8.255 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.393 -9.995 -3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.577 -10.060 -2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.534 -11.745 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.021 -11.905 -4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.085 -13.565 -2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.252 -12.516 -3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.780 -12.361 -1.673 1.00 0.00 H new ATOM 817 N HIS A 94 1.360 -8.342 1.050 1.00 0.00 N ATOM 818 CA HIS A 94 1.080 -8.461 2.478 1.00 0.00 C ATOM 819 C HIS A 94 -0.358 -8.909 2.736 1.00 0.00 C ATOM 820 O HIS A 94 -0.693 -9.332 3.842 1.00 0.00 O ATOM 821 CB HIS A 94 1.343 -7.128 3.179 1.00 0.00 C ATOM 822 CG HIS A 94 1.644 -7.269 4.639 1.00 0.00 C ATOM 823 ND1 HIS A 94 0.693 -7.104 5.623 1.00 0.00 N ATOM 824 CD2 HIS A 94 2.800 -7.564 5.281 1.00 0.00 C ATOM 825 CE1 HIS A 94 1.249 -7.290 6.807 1.00 0.00 C ATOM 826 NE2 HIS A 94 2.527 -7.571 6.627 1.00 0.00 N ATOM 0 H HIS A 94 1.456 -7.382 0.718 1.00 0.00 H new ATOM 0 HA HIS A 94 1.746 -9.223 2.883 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.180 -6.629 2.690 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.472 -6.484 3.056 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -0.288 -6.874 5.462 1.00 0.00 H new ATOM 0 HD2 HIS A 94 3.757 -7.758 4.820 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.745 -7.224 7.760 1.00 0.00 H new ATOM 835 N PHE A 95 -1.207 -8.815 1.716 1.00 0.00 N ATOM 836 CA PHE A 95 -2.605 -9.212 1.851 1.00 0.00 C ATOM 837 C PHE A 95 -3.139 -9.780 0.539 1.00 0.00 C ATOM 838 O PHE A 95 -4.307 -9.592 0.199 1.00 0.00 O ATOM 839 CB PHE A 95 -3.456 -8.017 2.292 1.00 0.00 C ATOM 840 CG PHE A 95 -4.156 -8.227 3.607 1.00 0.00 C ATOM 841 CD1 PHE A 95 -4.694 -9.462 3.935 1.00 0.00 C ATOM 842 CD2 PHE A 95 -4.274 -7.187 4.515 1.00 0.00 C ATOM 843 CE1 PHE A 95 -5.336 -9.655 5.143 1.00 0.00 C ATOM 844 CE2 PHE A 95 -4.915 -7.374 5.725 1.00 0.00 C ATOM 845 CZ PHE A 95 -5.447 -8.609 6.040 1.00 0.00 C ATOM 0 H PHE A 95 -0.953 -8.469 0.791 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.665 -9.990 2.612 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.819 -7.136 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.200 -7.808 1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.610 -10.283 3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.860 -6.219 4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.751 -10.622 5.386 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.000 -6.555 6.424 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.949 -8.757 6.985 1.00 0.00 H new ATOM 855 N GLN A 96 -2.276 -10.477 -0.194 1.00 0.00 N ATOM 856 CA GLN A 96 -2.660 -11.072 -1.468 1.00 0.00 C ATOM 857 C GLN A 96 -3.573 -12.275 -1.253 1.00 0.00 C ATOM 858 O GLN A 96 -3.924 -12.606 -0.121 1.00 0.00 O ATOM 859 CB GLN A 96 -1.417 -11.494 -2.254 1.00 0.00 C ATOM 860 CG GLN A 96 -0.437 -12.324 -1.442 1.00 0.00 C ATOM 861 CD GLN A 96 0.410 -13.238 -2.306 1.00 0.00 C ATOM 862 OE1 GLN A 96 1.584 -12.964 -2.555 1.00 0.00 O ATOM 863 NE2 GLN A 96 -0.183 -14.332 -2.769 1.00 0.00 N ATOM 0 H GLN A 96 -1.306 -10.643 0.073 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.206 -10.322 -2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.727 -12.066 -3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.909 -10.602 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.215 -11.659 -0.876 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.988 -12.923 -0.717 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.158 -14.520 -2.538 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.337 -14.984 -3.356 1.00 0.00 H new