USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=12 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 65 THR OG1 : rot -160:sc= -0.308 USER MOD Set 1.2: A 68 MET CE :methyl -119:sc= -0.0363 (180deg=-1.81!) USER MOD Set 2.1: A 55 HIS : no HD1:sc= -4.56! C(o=-5!,f=-5.8!) USER MOD Set 2.2: A 60 THR OG1 : rot 103:sc= -0.434 USER MOD Single : A 47 TYR OH : rot -29:sc= 0.0238 USER MOD Single : A 48 SER OG : rot 180:sc= 0.038 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 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+ 160:sc=-0.00506 (180deg=-0.21) USER MOD Single : A 73 CYS SG : rot 90:sc= -2.29 USER MOD Single : A 76 TYR OH : rot 0:sc= -1.28 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -43:sc= 0.772 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=-0.00712 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -5.66! C(o=-5.7!,f=-7.2!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 54 N TYR A 47 -4.371 3.995 6.425 1.00 0.00 N ATOM 55 CA TYR A 47 -3.874 2.784 5.781 1.00 0.00 C ATOM 56 C TYR A 47 -3.678 1.669 6.802 1.00 0.00 C ATOM 57 O TYR A 47 -2.584 1.121 6.941 1.00 0.00 O ATOM 58 CB TYR A 47 -2.559 3.068 5.052 1.00 0.00 C ATOM 59 CG TYR A 47 -2.590 4.329 4.218 1.00 0.00 C ATOM 60 CD1 TYR A 47 -3.246 4.359 2.994 1.00 0.00 C ATOM 61 CD2 TYR A 47 -1.965 5.489 4.656 1.00 0.00 C ATOM 62 CE1 TYR A 47 -3.277 5.510 2.229 1.00 0.00 C ATOM 63 CE2 TYR A 47 -1.992 6.644 3.898 1.00 0.00 C ATOM 64 CZ TYR A 47 -2.649 6.649 2.686 1.00 0.00 C ATOM 65 OH TYR A 47 -2.678 7.797 1.928 1.00 0.00 O ATOM 0 HA TYR A 47 -4.617 2.458 5.053 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.756 3.147 5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.320 2.222 4.408 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.740 3.469 2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.449 5.488 5.605 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.790 5.517 1.279 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.501 7.538 4.253 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.740 7.561 0.979 1.00 0.00 H new ATOM 75 N SER A 48 -4.750 1.334 7.511 1.00 0.00 N ATOM 76 CA SER A 48 -4.704 0.280 8.516 1.00 0.00 C ATOM 77 C SER A 48 -4.609 -1.083 7.849 1.00 0.00 C ATOM 78 O SER A 48 -3.716 -1.875 8.149 1.00 0.00 O ATOM 79 CB SER A 48 -5.944 0.341 9.410 1.00 0.00 C ATOM 80 OG SER A 48 -7.117 0.553 8.643 1.00 0.00 O ATOM 0 H SER A 48 -5.662 1.778 7.408 1.00 0.00 H new ATOM 0 HA SER A 48 -3.819 0.431 9.134 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.037 -0.588 9.972 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.832 1.144 10.138 1.00 0.00 H new ATOM 0 HG SER A 48 -7.895 0.586 9.238 1.00 0.00 H new ATOM 86 N GLU A 49 -5.539 -1.336 6.935 1.00 0.00 N ATOM 87 CA GLU A 49 -5.596 -2.586 6.195 1.00 0.00 C ATOM 88 C GLU A 49 -6.911 -2.686 5.431 1.00 0.00 C ATOM 89 O GLU A 49 -6.957 -3.226 4.331 1.00 0.00 O ATOM 90 CB GLU A 49 -5.460 -3.786 7.131 1.00 0.00 C ATOM 91 CG GLU A 49 -6.616 -3.939 8.106 1.00 0.00 C ATOM 92 CD GLU A 49 -6.171 -4.440 9.466 1.00 0.00 C ATOM 93 OE1 GLU A 49 -5.588 -5.542 9.531 1.00 0.00 O ATOM 94 OE2 GLU A 49 -6.405 -3.729 10.466 1.00 0.00 O ATOM 0 H GLU A 49 -6.276 -0.676 6.687 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.763 -2.596 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.379 -4.694 6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.532 -3.692 7.695 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.117 -2.978 8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.348 -4.631 7.690 1.00 0.00 H new ATOM 101 N GLU A 50 -7.977 -2.160 6.024 1.00 0.00 N ATOM 102 CA GLU A 50 -9.293 -2.187 5.391 1.00 0.00 C ATOM 103 C GLU A 50 -9.253 -1.505 4.031 1.00 0.00 C ATOM 104 O GLU A 50 -9.564 -2.121 3.012 1.00 0.00 O ATOM 105 CB GLU A 50 -10.338 -1.519 6.290 1.00 0.00 C ATOM 106 CG GLU A 50 -9.854 -0.234 6.949 1.00 0.00 C ATOM 107 CD GLU A 50 -10.626 0.986 6.485 1.00 0.00 C ATOM 108 OE1 GLU A 50 -11.049 1.009 5.310 1.00 0.00 O ATOM 109 OE2 GLU A 50 -10.806 1.919 7.296 1.00 0.00 O ATOM 0 H GLU A 50 -7.957 -1.711 6.939 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.576 -3.229 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.226 -1.300 5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.639 -2.223 7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.946 -0.328 8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.795 -0.094 6.730 1.00 0.00 H new ATOM 116 N GLU A 51 -8.857 -0.237 4.014 1.00 0.00 N ATOM 117 CA GLU A 51 -8.767 0.501 2.765 1.00 0.00 C ATOM 118 C GLU A 51 -7.779 -0.191 1.840 1.00 0.00 C ATOM 119 O GLU A 51 -8.026 -0.337 0.644 1.00 0.00 O ATOM 120 CB GLU A 51 -8.332 1.947 3.024 1.00 0.00 C ATOM 121 CG GLU A 51 -9.190 2.977 2.308 1.00 0.00 C ATOM 122 CD GLU A 51 -10.612 3.017 2.832 1.00 0.00 C ATOM 123 OE1 GLU A 51 -11.370 2.060 2.566 1.00 0.00 O ATOM 124 OE2 GLU A 51 -10.968 4.004 3.509 1.00 0.00 O ATOM 0 H GLU A 51 -8.596 0.295 4.844 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.749 0.523 2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.365 2.141 4.096 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.295 2.068 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.738 3.962 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.206 2.753 1.241 1.00 0.00 H new ATOM 131 N LEU A 52 -6.669 -0.640 2.414 1.00 0.00 N ATOM 132 CA LEU A 52 -5.651 -1.345 1.653 1.00 0.00 C ATOM 133 C LEU A 52 -6.240 -2.608 1.040 1.00 0.00 C ATOM 134 O LEU A 52 -6.096 -2.859 -0.155 1.00 0.00 O ATOM 135 CB LEU A 52 -4.461 -1.699 2.543 1.00 0.00 C ATOM 136 CG LEU A 52 -3.937 -0.547 3.397 1.00 0.00 C ATOM 137 CD1 LEU A 52 -3.052 -1.069 4.520 1.00 0.00 C ATOM 138 CD2 LEU A 52 -3.180 0.454 2.534 1.00 0.00 C ATOM 0 H LEU A 52 -6.453 -0.527 3.405 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.301 -0.691 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.748 -2.519 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.650 -2.064 1.913 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.789 -0.037 3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.689 -0.232 5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.628 -1.743 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.204 -1.606 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.813 1.269 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.337 -0.043 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.847 0.854 1.771 1.00 0.00 H new ATOM 150 N LYS A 53 -6.922 -3.392 1.873 1.00 0.00 N ATOM 151 CA LYS A 53 -7.556 -4.624 1.425 1.00 0.00 C ATOM 152 C LYS A 53 -8.458 -4.344 0.233 1.00 0.00 C ATOM 153 O LYS A 53 -8.379 -5.018 -0.794 1.00 0.00 O ATOM 154 CB LYS A 53 -8.366 -5.251 2.561 1.00 0.00 C ATOM 155 CG LYS A 53 -7.597 -6.297 3.350 1.00 0.00 C ATOM 156 CD LYS A 53 -8.115 -7.699 3.073 1.00 0.00 C ATOM 157 CE LYS A 53 -7.544 -8.255 1.780 1.00 0.00 C ATOM 158 NZ LYS A 53 -8.520 -9.126 1.069 1.00 0.00 N ATOM 0 H LYS A 53 -7.048 -3.192 2.865 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.778 -5.326 1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.694 -4.464 3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.264 -5.708 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.539 -6.242 3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.678 -6.082 4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.851 -8.356 3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.203 -7.681 3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.252 -7.431 1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.641 -8.825 1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.091 -9.485 0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.780 -9.927 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.372 -8.576 0.838 1.00 0.00 H new ATOM 172 N THR A 54 -9.304 -3.328 0.373 1.00 0.00 N ATOM 173 CA THR A 54 -10.208 -2.942 -0.702 1.00 0.00 C ATOM 174 C THR A 54 -9.401 -2.590 -1.945 1.00 0.00 C ATOM 175 O THR A 54 -9.719 -3.018 -3.054 1.00 0.00 O ATOM 176 CB THR A 54 -11.100 -1.768 -0.262 1.00 0.00 C ATOM 177 OG1 THR A 54 -12.460 -2.046 -0.539 1.00 0.00 O ATOM 178 CG2 THR A 54 -10.764 -0.444 -0.924 1.00 0.00 C ATOM 0 H THR A 54 -9.382 -2.760 1.217 1.00 0.00 H new ATOM 0 HA THR A 54 -10.864 -3.779 -0.941 1.00 0.00 H new ATOM 0 HB THR A 54 -10.914 -1.666 0.807 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.014 -1.290 -0.251 1.00 0.00 H new ATOM 0 HG21 THR A 54 -11.440 0.328 -0.557 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.736 -0.169 -0.687 1.00 0.00 H new ATOM 0 HG23 THR A 54 -10.874 -0.539 -2.004 1.00 0.00 H new ATOM 186 N HIS A 55 -8.336 -1.823 -1.736 1.00 0.00 N ATOM 187 CA HIS A 55 -7.455 -1.425 -2.821 1.00 0.00 C ATOM 188 C HIS A 55 -6.854 -2.661 -3.478 1.00 0.00 C ATOM 189 O HIS A 55 -6.912 -2.824 -4.696 1.00 0.00 O ATOM 190 CB HIS A 55 -6.342 -0.517 -2.293 1.00 0.00 C ATOM 191 CG HIS A 55 -6.848 0.684 -1.557 1.00 0.00 C ATOM 192 ND1 HIS A 55 -8.081 1.252 -1.801 1.00 0.00 N ATOM 193 CD2 HIS A 55 -6.281 1.427 -0.577 1.00 0.00 C ATOM 194 CE1 HIS A 55 -8.250 2.293 -1.004 1.00 0.00 C ATOM 195 NE2 HIS A 55 -7.173 2.419 -0.251 1.00 0.00 N ATOM 0 H HIS A 55 -8.064 -1.465 -0.820 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.033 -0.873 -3.562 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.697 -1.094 -1.630 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.726 -0.187 -3.129 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.309 1.269 -0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.121 2.931 -0.974 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -7.027 3.137 0.458 1.00 0.00 H new ATOM 204 N ILE A 56 -6.286 -3.536 -2.652 1.00 0.00 N ATOM 205 CA ILE A 56 -5.684 -4.771 -3.140 1.00 0.00 C ATOM 206 C ILE A 56 -6.696 -5.596 -3.930 1.00 0.00 C ATOM 207 O ILE A 56 -6.391 -6.103 -5.009 1.00 0.00 O ATOM 208 CB ILE A 56 -5.116 -5.622 -1.984 1.00 0.00 C ATOM 209 CG1 ILE A 56 -4.132 -4.798 -1.152 1.00 0.00 C ATOM 210 CG2 ILE A 56 -4.436 -6.872 -2.526 1.00 0.00 C ATOM 211 CD1 ILE A 56 -4.159 -5.133 0.323 1.00 0.00 C ATOM 0 H ILE A 56 -6.231 -3.411 -1.641 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.862 -4.487 -3.797 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.942 -5.930 -1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.124 -4.957 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.358 -3.739 -1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.041 -7.460 -1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.160 -7.468 -3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.619 -6.584 -3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.436 -4.511 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.157 -4.947 0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.903 -6.183 0.462 1.00 0.00 H new ATOM 223 N SER A 57 -7.903 -5.724 -3.383 1.00 0.00 N ATOM 224 CA SER A 57 -8.965 -6.486 -4.033 1.00 0.00 C ATOM 225 C SER A 57 -9.194 -6.005 -5.464 1.00 0.00 C ATOM 226 O SER A 57 -8.817 -6.678 -6.423 1.00 0.00 O ATOM 227 CB SER A 57 -10.263 -6.377 -3.228 1.00 0.00 C ATOM 228 OG SER A 57 -10.798 -7.659 -2.949 1.00 0.00 O ATOM 0 H SER A 57 -8.169 -5.309 -2.490 1.00 0.00 H new ATOM 0 HA SER A 57 -8.654 -7.530 -4.072 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.072 -5.848 -2.294 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.992 -5.788 -3.785 1.00 0.00 H new ATOM 0 HG SER A 57 -11.625 -7.563 -2.433 1.00 0.00 H new ATOM 234 N LYS A 58 -9.818 -4.839 -5.597 1.00 0.00 N ATOM 235 CA LYS A 58 -10.103 -4.268 -6.909 1.00 0.00 C ATOM 236 C LYS A 58 -8.814 -3.982 -7.675 1.00 0.00 C ATOM 237 O LYS A 58 -8.453 -4.712 -8.597 1.00 0.00 O ATOM 238 CB LYS A 58 -10.921 -2.984 -6.763 1.00 0.00 C ATOM 239 CG LYS A 58 -12.289 -3.202 -6.140 1.00 0.00 C ATOM 240 CD LYS A 58 -13.112 -1.924 -6.141 1.00 0.00 C ATOM 241 CE LYS A 58 -14.520 -2.166 -5.623 1.00 0.00 C ATOM 242 NZ LYS A 58 -15.531 -1.366 -6.367 1.00 0.00 N ATOM 0 H LYS A 58 -10.136 -4.271 -4.812 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.683 -4.997 -7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.362 -2.274 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.047 -2.530 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.821 -3.979 -6.690 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.171 -3.559 -5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.620 -1.173 -5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.160 -1.522 -7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.761 -3.226 -5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.565 -1.913 -4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.478 -1.560 -5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.316 -0.354 -6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.506 -1.625 -7.374 1.00 0.00 H new ATOM 256 N GLY A 59 -8.125 -2.914 -7.286 1.00 0.00 N ATOM 257 CA GLY A 59 -6.885 -2.551 -7.948 1.00 0.00 C ATOM 258 C GLY A 59 -6.628 -1.055 -7.933 1.00 0.00 C ATOM 259 O GLY A 59 -6.118 -0.498 -8.905 1.00 0.00 O ATOM 0 H GLY A 59 -8.403 -2.294 -6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.055 -3.063 -7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.913 -2.900 -8.980 1.00 0.00 H new ATOM 263 N THR A 60 -6.976 -0.405 -6.827 1.00 0.00 N ATOM 264 CA THR A 60 -6.774 1.033 -6.687 1.00 0.00 C ATOM 265 C THR A 60 -5.532 1.334 -5.851 1.00 0.00 C ATOM 266 O THR A 60 -5.102 2.484 -5.757 1.00 0.00 O ATOM 267 CB THR A 60 -8.002 1.682 -6.047 1.00 0.00 C ATOM 268 OG1 THR A 60 -8.454 0.917 -4.943 1.00 0.00 O ATOM 269 CG2 THR A 60 -9.164 1.838 -7.004 1.00 0.00 C ATOM 0 H THR A 60 -7.400 -0.852 -6.014 1.00 0.00 H new ATOM 0 HA THR A 60 -6.627 1.450 -7.683 1.00 0.00 H new ATOM 0 HB THR A 60 -7.675 2.674 -5.734 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.181 1.353 -4.109 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.002 2.305 -6.486 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.862 2.464 -7.844 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.466 0.858 -7.373 1.00 0.00 H new ATOM 277 N LEU A 61 -4.956 0.297 -5.247 1.00 0.00 N ATOM 278 CA LEU A 61 -3.764 0.459 -4.425 1.00 0.00 C ATOM 279 C LEU A 61 -2.624 1.064 -5.241 1.00 0.00 C ATOM 280 O LEU A 61 -1.713 1.682 -4.690 1.00 0.00 O ATOM 281 CB LEU A 61 -3.338 -0.888 -3.838 1.00 0.00 C ATOM 282 CG LEU A 61 -2.112 -0.839 -2.926 1.00 0.00 C ATOM 283 CD1 LEU A 61 -2.495 -0.323 -1.548 1.00 0.00 C ATOM 284 CD2 LEU A 61 -1.471 -2.214 -2.824 1.00 0.00 C ATOM 0 H LEU A 61 -5.296 -0.662 -5.313 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.001 1.140 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.174 -1.302 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.134 -1.576 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.385 -0.152 -3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.611 -0.294 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.910 0.681 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.239 -0.985 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.600 -2.162 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.191 -2.921 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.162 -2.546 -3.815 1.00 0.00 H new ATOM 296 N GLY A 62 -2.687 0.889 -6.559 1.00 0.00 N ATOM 297 CA GLY A 62 -1.661 1.431 -7.430 1.00 0.00 C ATOM 298 C GLY A 62 -2.002 2.823 -7.927 1.00 0.00 C ATOM 299 O GLY A 62 -1.377 3.324 -8.862 1.00 0.00 O ATOM 0 H GLY A 62 -3.431 0.381 -7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.712 1.462 -6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.524 0.767 -8.283 1.00 0.00 H new ATOM 303 N LYS A 63 -2.992 3.453 -7.298 1.00 0.00 N ATOM 304 CA LYS A 63 -3.407 4.795 -7.680 1.00 0.00 C ATOM 305 C LYS A 63 -2.660 5.837 -6.856 1.00 0.00 C ATOM 306 O LYS A 63 -2.004 6.724 -7.402 1.00 0.00 O ATOM 307 CB LYS A 63 -4.916 4.961 -7.487 1.00 0.00 C ATOM 308 CG LYS A 63 -5.567 5.857 -8.528 1.00 0.00 C ATOM 309 CD LYS A 63 -6.966 6.275 -8.107 1.00 0.00 C ATOM 310 CE LYS A 63 -7.755 6.842 -9.276 1.00 0.00 C ATOM 311 NZ LYS A 63 -9.224 6.710 -9.072 1.00 0.00 N ATOM 0 H LYS A 63 -3.520 3.053 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.168 4.942 -8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.388 3.979 -7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.104 5.374 -6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.952 6.744 -8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.615 5.333 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.494 5.416 -7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.901 7.021 -7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.500 7.893 -9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.468 6.326 -10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.725 7.108 -9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.471 5.705 -8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.503 7.224 -8.212 1.00 0.00 H new ATOM 325 N PHE A 64 -2.764 5.717 -5.536 1.00 0.00 N ATOM 326 CA PHE A 64 -2.100 6.640 -4.621 1.00 0.00 C ATOM 327 C PHE A 64 -0.637 6.844 -5.004 1.00 0.00 C ATOM 328 O PHE A 64 -0.021 5.980 -5.629 1.00 0.00 O ATOM 329 CB PHE A 64 -2.193 6.121 -3.185 1.00 0.00 C ATOM 330 CG PHE A 64 -3.597 5.811 -2.749 1.00 0.00 C ATOM 331 CD1 PHE A 64 -4.416 6.808 -2.244 1.00 0.00 C ATOM 332 CD2 PHE A 64 -4.096 4.522 -2.844 1.00 0.00 C ATOM 333 CE1 PHE A 64 -5.708 6.525 -1.842 1.00 0.00 C ATOM 334 CE2 PHE A 64 -5.387 4.233 -2.444 1.00 0.00 C ATOM 335 CZ PHE A 64 -6.194 5.236 -1.942 1.00 0.00 C ATOM 0 H PHE A 64 -3.305 4.986 -5.074 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.608 7.602 -4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.585 5.221 -3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.767 6.864 -2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.041 7.818 -2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.469 3.734 -3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.337 7.311 -1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.765 3.224 -2.524 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.203 5.012 -1.628 1.00 0.00 H new ATOM 345 N THR A 65 -0.087 7.990 -4.621 1.00 0.00 N ATOM 346 CA THR A 65 1.305 8.311 -4.917 1.00 0.00 C ATOM 347 C THR A 65 2.250 7.501 -4.036 1.00 0.00 C ATOM 348 O THR A 65 1.840 6.544 -3.379 1.00 0.00 O ATOM 349 CB THR A 65 1.556 9.806 -4.718 1.00 0.00 C ATOM 350 OG1 THR A 65 1.558 10.135 -3.340 1.00 0.00 O ATOM 351 CG2 THR A 65 0.526 10.682 -5.397 1.00 0.00 C ATOM 0 H THR A 65 -0.585 8.715 -4.103 1.00 0.00 H new ATOM 0 HA THR A 65 1.500 8.052 -5.958 1.00 0.00 H new ATOM 0 HB THR A 65 2.528 9.998 -5.172 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.401 11.096 -3.233 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.764 11.730 -5.216 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.534 10.488 -6.470 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.463 10.459 -4.995 1.00 0.00 H new ATOM 359 N VAL A 66 3.517 7.894 -4.031 1.00 0.00 N ATOM 360 CA VAL A 66 4.530 7.213 -3.237 1.00 0.00 C ATOM 361 C VAL A 66 4.427 7.597 -1.758 1.00 0.00 C ATOM 362 O VAL A 66 4.249 6.728 -0.904 1.00 0.00 O ATOM 363 CB VAL A 66 5.946 7.532 -3.763 1.00 0.00 C ATOM 364 CG1 VAL A 66 7.018 7.042 -2.796 1.00 0.00 C ATOM 365 CG2 VAL A 66 6.150 6.922 -5.141 1.00 0.00 C ATOM 0 H VAL A 66 3.868 8.685 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 66 4.351 6.142 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 66 6.039 8.615 -3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.004 7.281 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.888 7.531 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.929 5.963 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.153 7.156 -5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.029 5.840 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.414 7.332 -5.833 1.00 0.00 H new ATOM 375 N PRO A 67 4.532 8.900 -1.423 1.00 0.00 N ATOM 376 CA PRO A 67 4.443 9.362 -0.036 1.00 0.00 C ATOM 377 C PRO A 67 3.248 8.758 0.693 1.00 0.00 C ATOM 378 O PRO A 67 3.289 8.545 1.905 1.00 0.00 O ATOM 379 CB PRO A 67 4.291 10.888 -0.157 1.00 0.00 C ATOM 380 CG PRO A 67 4.111 11.169 -1.614 1.00 0.00 C ATOM 381 CD PRO A 67 4.741 10.021 -2.347 1.00 0.00 C ATOM 0 HA PRO A 67 5.316 9.064 0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.435 11.242 0.417 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.170 11.400 0.234 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.054 11.257 -1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.584 12.112 -1.889 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.265 9.846 -3.312 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.799 10.195 -2.541 1.00 0.00 H new ATOM 389 N MET A 68 2.189 8.473 -0.058 1.00 0.00 N ATOM 390 CA MET A 68 0.986 7.880 0.512 1.00 0.00 C ATOM 391 C MET A 68 1.172 6.378 0.692 1.00 0.00 C ATOM 392 O MET A 68 0.871 5.824 1.749 1.00 0.00 O ATOM 393 CB MET A 68 -0.221 8.154 -0.388 1.00 0.00 C ATOM 394 CG MET A 68 -0.859 9.513 -0.151 1.00 0.00 C ATOM 395 SD MET A 68 -2.541 9.612 -0.793 1.00 0.00 S ATOM 396 CE MET A 68 -2.228 10.094 -2.489 1.00 0.00 C ATOM 0 H MET A 68 2.140 8.643 -1.062 1.00 0.00 H new ATOM 0 HA MET A 68 0.806 8.332 1.487 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.090 8.084 -1.430 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.969 7.377 -0.226 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.869 9.724 0.918 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.249 10.284 -0.622 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.694 11.060 -2.685 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.153 10.170 -2.653 1.00 0.00 H new ATOM 0 HE3 MET A 68 -2.646 9.346 -3.163 1.00 0.00 H new ATOM 406 N LEU A 69 1.685 5.728 -0.348 1.00 0.00 N ATOM 407 CA LEU A 69 1.930 4.292 -0.312 1.00 0.00 C ATOM 408 C LEU A 69 2.931 3.950 0.785 1.00 0.00 C ATOM 409 O LEU A 69 2.718 3.022 1.565 1.00 0.00 O ATOM 410 CB LEU A 69 2.444 3.815 -1.670 1.00 0.00 C ATOM 411 CG LEU A 69 1.364 3.643 -2.741 1.00 0.00 C ATOM 412 CD1 LEU A 69 1.992 3.478 -4.116 1.00 0.00 C ATOM 413 CD2 LEU A 69 0.474 2.454 -2.412 1.00 0.00 C ATOM 0 H LEU A 69 1.940 6.176 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 69 0.992 3.782 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.185 4.527 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.956 2.863 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 69 0.747 4.542 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.207 3.357 -4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.586 4.361 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.634 2.597 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.288 2.346 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.078 1.548 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.007 2.615 -1.447 1.00 0.00 H new ATOM 425 N LYS A 70 4.016 4.714 0.849 1.00 0.00 N ATOM 426 CA LYS A 70 5.043 4.501 1.863 1.00 0.00 C ATOM 427 C LYS A 70 4.419 4.454 3.256 1.00 0.00 C ATOM 428 O LYS A 70 4.903 3.751 4.142 1.00 0.00 O ATOM 429 CB LYS A 70 6.096 5.610 1.794 1.00 0.00 C ATOM 430 CG LYS A 70 7.496 5.100 1.485 1.00 0.00 C ATOM 431 CD LYS A 70 8.037 5.688 0.190 1.00 0.00 C ATOM 432 CE LYS A 70 9.456 6.206 0.362 1.00 0.00 C ATOM 433 NZ LYS A 70 10.377 5.148 0.862 1.00 0.00 N ATOM 0 H LYS A 70 4.207 5.486 0.211 1.00 0.00 H new ATOM 0 HA LYS A 70 5.527 3.544 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.804 6.331 1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.114 6.143 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.165 5.354 2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.479 4.013 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.018 4.928 -0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.390 6.500 -0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.822 6.585 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.454 7.045 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.360 5.415 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.260 5.043 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.155 4.246 0.395 1.00 0.00 H new ATOM 447 N GLU A 71 3.340 5.211 3.437 1.00 0.00 N ATOM 448 CA GLU A 71 2.642 5.260 4.717 1.00 0.00 C ATOM 449 C GLU A 71 2.202 3.866 5.150 1.00 0.00 C ATOM 450 O GLU A 71 2.536 3.413 6.245 1.00 0.00 O ATOM 451 CB GLU A 71 1.430 6.191 4.628 1.00 0.00 C ATOM 452 CG GLU A 71 1.303 7.139 5.809 1.00 0.00 C ATOM 453 CD GLU A 71 0.483 6.552 6.942 1.00 0.00 C ATOM 454 OE1 GLU A 71 0.440 5.309 7.061 1.00 0.00 O ATOM 455 OE2 GLU A 71 -0.116 7.335 7.709 1.00 0.00 O ATOM 0 H GLU A 71 2.930 5.799 2.712 1.00 0.00 H new ATOM 0 HA GLU A 71 3.333 5.650 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.497 6.775 3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.524 5.589 4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.298 7.390 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.842 8.069 5.476 1.00 0.00 H new ATOM 462 N ALA A 72 1.459 3.184 4.282 1.00 0.00 N ATOM 463 CA ALA A 72 0.989 1.837 4.583 1.00 0.00 C ATOM 464 C ALA A 72 2.166 0.921 4.889 1.00 0.00 C ATOM 465 O ALA A 72 2.156 0.185 5.875 1.00 0.00 O ATOM 466 CB ALA A 72 0.173 1.287 3.422 1.00 0.00 C ATOM 0 H ALA A 72 1.172 3.540 3.370 1.00 0.00 H new ATOM 0 HA ALA A 72 0.348 1.882 5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.170 0.281 3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.688 1.931 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.792 1.254 2.525 1.00 0.00 H new ATOM 472 N CYS A 73 3.187 0.985 4.042 1.00 0.00 N ATOM 473 CA CYS A 73 4.382 0.176 4.226 1.00 0.00 C ATOM 474 C CYS A 73 5.054 0.517 5.552 1.00 0.00 C ATOM 475 O CYS A 73 5.467 -0.371 6.297 1.00 0.00 O ATOM 476 CB CYS A 73 5.358 0.397 3.069 1.00 0.00 C ATOM 477 SG CYS A 73 4.865 -0.410 1.529 1.00 0.00 S ATOM 0 H CYS A 73 3.209 1.590 3.221 1.00 0.00 H new ATOM 0 HA CYS A 73 4.090 -0.874 4.241 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.458 1.468 2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.342 0.029 3.361 1.00 0.00 H new ATOM 0 HG CYS A 73 4.127 0.401 0.831 1.00 0.00 H new ATOM 483 N ARG A 74 5.153 1.811 5.841 1.00 0.00 N ATOM 484 CA ARG A 74 5.765 2.273 7.080 1.00 0.00 C ATOM 485 C ARG A 74 4.967 1.791 8.287 1.00 0.00 C ATOM 486 O ARG A 74 5.530 1.495 9.340 1.00 0.00 O ATOM 487 CB ARG A 74 5.862 3.801 7.089 1.00 0.00 C ATOM 488 CG ARG A 74 7.260 4.322 6.800 1.00 0.00 C ATOM 489 CD ARG A 74 8.011 4.636 8.084 1.00 0.00 C ATOM 490 NE ARG A 74 9.282 5.308 7.824 1.00 0.00 N ATOM 491 CZ ARG A 74 9.968 5.978 8.746 1.00 0.00 C ATOM 492 NH1 ARG A 74 9.511 6.067 9.989 1.00 0.00 N ATOM 493 NH2 ARG A 74 11.116 6.561 8.426 1.00 0.00 N ATOM 0 H ARG A 74 4.817 2.558 5.233 1.00 0.00 H new ATOM 0 HA ARG A 74 6.770 1.856 7.141 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.172 4.205 6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.539 4.172 8.062 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.814 3.581 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.196 5.220 6.185 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.391 5.267 8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.195 3.712 8.632 1.00 0.00 H new ATOM 0 HE ARG A 74 9.666 5.261 6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.629 5.620 10.241 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.041 6.582 10.692 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.473 6.496 7.473 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.642 7.075 9.133 1.00 0.00 H new ATOM 507 N ALA A 75 3.650 1.714 8.122 1.00 0.00 N ATOM 508 CA ALA A 75 2.770 1.266 9.195 1.00 0.00 C ATOM 509 C ALA A 75 2.940 -0.227 9.448 1.00 0.00 C ATOM 510 O ALA A 75 2.908 -0.682 10.591 1.00 0.00 O ATOM 511 CB ALA A 75 1.321 1.586 8.859 1.00 0.00 C ATOM 0 H ALA A 75 3.169 1.956 7.256 1.00 0.00 H new ATOM 0 HA ALA A 75 3.043 1.799 10.106 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.676 1.246 9.669 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.206 2.662 8.731 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.041 1.079 7.935 1.00 0.00 H new ATOM 517 N TYR A 76 3.124 -0.984 8.372 1.00 0.00 N ATOM 518 CA TYR A 76 3.303 -2.429 8.476 1.00 0.00 C ATOM 519 C TYR A 76 4.759 -2.781 8.768 1.00 0.00 C ATOM 520 O TYR A 76 5.047 -3.804 9.388 1.00 0.00 O ATOM 521 CB TYR A 76 2.852 -3.114 7.185 1.00 0.00 C ATOM 522 CG TYR A 76 1.394 -3.512 7.188 1.00 0.00 C ATOM 523 CD1 TYR A 76 0.860 -4.254 8.235 1.00 0.00 C ATOM 524 CD2 TYR A 76 0.552 -3.150 6.144 1.00 0.00 C ATOM 525 CE1 TYR A 76 -0.471 -4.623 8.241 1.00 0.00 C ATOM 526 CE2 TYR A 76 -0.781 -3.515 6.144 1.00 0.00 C ATOM 527 CZ TYR A 76 -1.287 -4.251 7.194 1.00 0.00 C ATOM 528 OH TYR A 76 -2.612 -4.619 7.196 1.00 0.00 O ATOM 0 H TYR A 76 3.153 -0.623 7.419 1.00 0.00 H new ATOM 0 HA TYR A 76 2.690 -2.785 9.304 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.035 -2.444 6.345 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.462 -4.003 7.023 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.496 -4.547 9.057 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.945 -2.574 5.319 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.870 -5.200 9.062 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.423 -3.225 5.325 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.807 -5.136 8.005 1.00 0.00 H new ATOM 538 N GLY A 77 5.673 -1.927 8.317 1.00 0.00 N ATOM 539 CA GLY A 77 7.086 -2.168 8.541 1.00 0.00 C ATOM 540 C GLY A 77 7.755 -2.849 7.363 1.00 0.00 C ATOM 541 O GLY A 77 8.755 -3.547 7.528 1.00 0.00 O ATOM 0 H GLY A 77 5.460 -1.073 7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.586 -1.220 8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.209 -2.785 9.431 1.00 0.00 H new ATOM 545 N LEU A 78 7.202 -2.646 6.171 1.00 0.00 N ATOM 546 CA LEU A 78 7.752 -3.247 4.961 1.00 0.00 C ATOM 547 C LEU A 78 8.936 -2.438 4.441 1.00 0.00 C ATOM 548 O LEU A 78 9.270 -1.387 4.988 1.00 0.00 O ATOM 549 CB LEU A 78 6.673 -3.345 3.881 1.00 0.00 C ATOM 550 CG LEU A 78 5.806 -4.604 3.943 1.00 0.00 C ATOM 551 CD1 LEU A 78 6.626 -5.834 3.588 1.00 0.00 C ATOM 552 CD2 LEU A 78 5.185 -4.754 5.324 1.00 0.00 C ATOM 0 H LEU A 78 6.374 -2.070 6.017 1.00 0.00 H new ATOM 0 HA LEU A 78 8.101 -4.249 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.025 -2.472 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.154 -3.301 2.904 1.00 0.00 H new ATOM 0 HG LEU A 78 5.002 -4.506 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.993 -6.720 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.023 -5.728 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.451 -5.938 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.571 -5.654 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.975 -4.830 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.564 -3.885 5.540 1.00 0.00 H new ATOM 564 N LYS A 79 9.565 -2.934 3.381 1.00 0.00 N ATOM 565 CA LYS A 79 10.712 -2.257 2.785 1.00 0.00 C ATOM 566 C LYS A 79 10.281 -1.409 1.593 1.00 0.00 C ATOM 567 O LYS A 79 10.859 -0.354 1.327 1.00 0.00 O ATOM 568 CB LYS A 79 11.764 -3.277 2.348 1.00 0.00 C ATOM 569 CG LYS A 79 11.196 -4.424 1.526 1.00 0.00 C ATOM 570 CD LYS A 79 11.979 -4.634 0.240 1.00 0.00 C ATOM 571 CE LYS A 79 13.182 -5.537 0.460 1.00 0.00 C ATOM 572 NZ LYS A 79 12.841 -6.974 0.266 1.00 0.00 N ATOM 0 H LYS A 79 9.300 -3.803 2.916 1.00 0.00 H new ATOM 0 HA LYS A 79 11.147 -1.600 3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.531 -2.768 1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.254 -3.683 3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.214 -5.340 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.152 -4.219 1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.328 -5.072 -0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.312 -3.670 -0.146 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.978 -5.256 -0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.568 -5.388 1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.688 -7.556 0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.100 -7.249 0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.497 -7.121 -0.704 1.00 0.00 H new ATOM 586 N SER A 80 9.261 -1.876 0.878 1.00 0.00 N ATOM 587 CA SER A 80 8.744 -1.165 -0.288 1.00 0.00 C ATOM 588 C SER A 80 9.871 -0.743 -1.229 1.00 0.00 C ATOM 589 O SER A 80 11.030 -1.106 -1.028 1.00 0.00 O ATOM 590 CB SER A 80 7.944 0.062 0.156 1.00 0.00 C ATOM 591 OG SER A 80 8.775 1.204 0.275 1.00 0.00 O ATOM 0 H SER A 80 8.774 -2.748 1.087 1.00 0.00 H new ATOM 0 HA SER A 80 8.089 -1.845 -0.832 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.150 0.261 -0.564 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.463 -0.142 1.113 1.00 0.00 H new ATOM 0 HG SER A 80 9.611 0.955 0.722 1.00 0.00 H new ATOM 597 N GLY A 81 9.521 0.027 -2.255 1.00 0.00 N ATOM 598 CA GLY A 81 10.511 0.487 -3.210 1.00 0.00 C ATOM 599 C GLY A 81 10.517 1.996 -3.357 1.00 0.00 C ATOM 600 O GLY A 81 9.544 2.663 -3.005 1.00 0.00 O ATOM 0 H GLY A 81 8.568 0.340 -2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.499 0.152 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.315 0.031 -4.180 1.00 0.00 H new ATOM 604 N LEU A 82 11.615 2.534 -3.875 1.00 0.00 N ATOM 605 CA LEU A 82 11.744 3.975 -4.064 1.00 0.00 C ATOM 606 C LEU A 82 11.038 4.440 -5.338 1.00 0.00 C ATOM 607 O LEU A 82 10.974 5.638 -5.614 1.00 0.00 O ATOM 608 CB LEU A 82 13.221 4.371 -4.117 1.00 0.00 C ATOM 609 CG LEU A 82 13.956 4.315 -2.777 1.00 0.00 C ATOM 610 CD1 LEU A 82 15.384 4.815 -2.931 1.00 0.00 C ATOM 611 CD2 LEU A 82 13.214 5.129 -1.728 1.00 0.00 C ATOM 0 H LEU A 82 12.429 1.995 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 82 11.266 4.464 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.732 3.715 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.296 5.384 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 82 13.990 3.277 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.892 4.768 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 82 15.913 4.190 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 82 15.372 5.846 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.751 5.078 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.149 6.168 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.210 4.726 -1.598 1.00 0.00 H new ATOM 623 N LYS A 83 10.510 3.495 -6.113 1.00 0.00 N ATOM 624 CA LYS A 83 9.815 3.832 -7.352 1.00 0.00 C ATOM 625 C LYS A 83 8.387 4.286 -7.065 1.00 0.00 C ATOM 626 O LYS A 83 8.075 5.473 -7.157 1.00 0.00 O ATOM 627 CB LYS A 83 9.801 2.638 -8.317 1.00 0.00 C ATOM 628 CG LYS A 83 10.968 1.679 -8.135 1.00 0.00 C ATOM 629 CD LYS A 83 11.519 1.211 -9.472 1.00 0.00 C ATOM 630 CE LYS A 83 12.052 -0.210 -9.388 1.00 0.00 C ATOM 631 NZ LYS A 83 13.357 -0.272 -8.673 1.00 0.00 N ATOM 0 H LYS A 83 10.550 2.497 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 83 10.356 4.652 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.869 2.088 -8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.808 3.012 -9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.758 2.170 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.644 0.817 -7.552 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.735 1.263 -10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.316 1.881 -9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.326 -0.840 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.169 -0.614 -10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.687 -1.258 -8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.057 0.309 -9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.240 0.089 -7.705 1.00 0.00 H new ATOM 645 N LYS A 84 7.524 3.334 -6.714 1.00 0.00 N ATOM 646 CA LYS A 84 6.127 3.634 -6.409 1.00 0.00 C ATOM 647 C LYS A 84 5.297 2.354 -6.332 1.00 0.00 C ATOM 648 O LYS A 84 4.821 1.978 -5.261 1.00 0.00 O ATOM 649 CB LYS A 84 5.525 4.584 -7.455 1.00 0.00 C ATOM 650 CG LYS A 84 5.967 4.297 -8.885 1.00 0.00 C ATOM 651 CD LYS A 84 6.353 5.573 -9.621 1.00 0.00 C ATOM 652 CE LYS A 84 5.524 5.764 -10.881 1.00 0.00 C ATOM 653 NZ LYS A 84 6.215 5.232 -12.088 1.00 0.00 N ATOM 0 H LYS A 84 7.769 2.347 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 84 6.103 4.126 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.438 4.522 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.799 5.608 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.815 3.613 -8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.161 3.797 -9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.216 6.430 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.411 5.537 -9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.563 5.263 -10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.315 6.825 -11.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.616 5.382 -12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.120 5.728 -12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.392 4.214 -11.967 1.00 0.00 H new ATOM 667 N GLN A 85 5.132 1.686 -7.471 1.00 0.00 N ATOM 668 CA GLN A 85 4.365 0.447 -7.529 1.00 0.00 C ATOM 669 C GLN A 85 4.898 -0.563 -6.522 1.00 0.00 C ATOM 670 O GLN A 85 4.137 -1.308 -5.908 1.00 0.00 O ATOM 671 CB GLN A 85 4.411 -0.167 -8.933 1.00 0.00 C ATOM 672 CG GLN A 85 4.842 0.790 -10.030 1.00 0.00 C ATOM 673 CD GLN A 85 4.431 0.319 -11.411 1.00 0.00 C ATOM 674 OE1 GLN A 85 3.687 1.001 -12.116 1.00 0.00 O ATOM 675 NE2 GLN A 85 4.916 -0.852 -11.806 1.00 0.00 N ATOM 0 H GLN A 85 5.520 1.983 -8.366 1.00 0.00 H new ATOM 0 HA GLN A 85 3.331 0.691 -7.284 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.094 -1.016 -8.921 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.423 -0.557 -9.177 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.408 1.772 -9.841 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.925 0.909 -9.998 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.530 -1.384 -11.189 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.675 -1.219 -12.726 1.00 0.00 H new ATOM 684 N GLU A 86 6.219 -0.591 -6.375 1.00 0.00 N ATOM 685 CA GLU A 86 6.871 -1.521 -5.461 1.00 0.00 C ATOM 686 C GLU A 86 6.159 -1.569 -4.113 1.00 0.00 C ATOM 687 O GLU A 86 6.129 -2.607 -3.452 1.00 0.00 O ATOM 688 CB GLU A 86 8.337 -1.133 -5.264 1.00 0.00 C ATOM 689 CG GLU A 86 9.232 -2.306 -4.894 1.00 0.00 C ATOM 690 CD GLU A 86 10.297 -2.582 -5.938 1.00 0.00 C ATOM 691 OE1 GLU A 86 10.700 -1.631 -6.640 1.00 0.00 O ATOM 692 OE2 GLU A 86 10.727 -3.749 -6.052 1.00 0.00 O ATOM 0 H GLU A 86 6.860 0.022 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 86 6.819 -2.514 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.710 -0.677 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.402 -0.376 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.712 -2.104 -3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.619 -3.198 -4.762 1.00 0.00 H new ATOM 699 N LEU A 87 5.577 -0.443 -3.716 1.00 0.00 N ATOM 700 CA LEU A 87 4.856 -0.364 -2.452 1.00 0.00 C ATOM 701 C LEU A 87 3.669 -1.315 -2.467 1.00 0.00 C ATOM 702 O LEU A 87 3.393 -1.996 -1.480 1.00 0.00 O ATOM 703 CB LEU A 87 4.390 1.073 -2.202 1.00 0.00 C ATOM 704 CG LEU A 87 5.522 2.095 -2.038 1.00 0.00 C ATOM 705 CD1 LEU A 87 5.225 3.365 -2.824 1.00 0.00 C ATOM 706 CD2 LEU A 87 5.746 2.415 -0.565 1.00 0.00 C ATOM 0 H LEU A 87 5.590 0.426 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 87 5.525 -0.658 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.755 1.384 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.772 1.089 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 87 6.436 1.656 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.042 4.074 -2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.122 3.123 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.298 3.809 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.553 3.142 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.832 2.829 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.014 1.503 -0.031 1.00 0.00 H new ATOM 718 N LEU A 88 2.982 -1.374 -3.604 1.00 0.00 N ATOM 719 CA LEU A 88 1.837 -2.263 -3.756 1.00 0.00 C ATOM 720 C LEU A 88 2.204 -3.677 -3.331 1.00 0.00 C ATOM 721 O LEU A 88 1.534 -4.277 -2.494 1.00 0.00 O ATOM 722 CB LEU A 88 1.344 -2.273 -5.205 1.00 0.00 C ATOM 723 CG LEU A 88 0.430 -1.108 -5.592 1.00 0.00 C ATOM 724 CD1 LEU A 88 1.251 0.092 -6.046 1.00 0.00 C ATOM 725 CD2 LEU A 88 -0.543 -1.535 -6.682 1.00 0.00 C ATOM 0 H LEU A 88 3.198 -0.818 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 88 1.036 -1.893 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.210 -2.269 -5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.811 -3.207 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.144 -0.815 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.582 0.909 -6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.906 0.412 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.853 -0.185 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.186 -0.695 -6.946 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.014 -1.856 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.156 -2.361 -6.320 1.00 0.00 H new ATOM 737 N GLU A 89 3.277 -4.204 -3.916 1.00 0.00 N ATOM 738 CA GLU A 89 3.737 -5.550 -3.596 1.00 0.00 C ATOM 739 C GLU A 89 3.845 -5.745 -2.089 1.00 0.00 C ATOM 740 O GLU A 89 3.254 -6.669 -1.532 1.00 0.00 O ATOM 741 CB GLU A 89 5.085 -5.829 -4.265 1.00 0.00 C ATOM 742 CG GLU A 89 4.976 -6.685 -5.516 1.00 0.00 C ATOM 743 CD GLU A 89 4.466 -5.906 -6.713 1.00 0.00 C ATOM 744 OE1 GLU A 89 3.232 -5.799 -6.870 1.00 0.00 O ATOM 745 OE2 GLU A 89 5.302 -5.404 -7.494 1.00 0.00 O ATOM 0 H GLU A 89 3.842 -3.719 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 89 3.002 -6.258 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.556 -4.881 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.740 -6.327 -3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.954 -7.105 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.307 -7.523 -5.321 1.00 0.00 H new ATOM 752 N ALA A 90 4.592 -4.863 -1.428 1.00 0.00 N ATOM 753 CA ALA A 90 4.752 -4.946 0.018 1.00 0.00 C ATOM 754 C ALA A 90 3.390 -5.039 0.691 1.00 0.00 C ATOM 755 O ALA A 90 3.177 -5.853 1.590 1.00 0.00 O ATOM 756 CB ALA A 90 5.527 -3.745 0.539 1.00 0.00 C ATOM 0 H ALA A 90 5.091 -4.090 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 90 5.319 -5.846 0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.637 -3.824 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.513 -3.719 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.987 -2.830 0.295 1.00 0.00 H new ATOM 762 N LEU A 91 2.465 -4.203 0.232 1.00 0.00 N ATOM 763 CA LEU A 91 1.110 -4.188 0.765 1.00 0.00 C ATOM 764 C LEU A 91 0.385 -5.480 0.429 1.00 0.00 C ATOM 765 O LEU A 91 -0.073 -6.200 1.317 1.00 0.00 O ATOM 766 CB LEU A 91 0.334 -3.008 0.185 1.00 0.00 C ATOM 767 CG LEU A 91 0.539 -1.676 0.912 1.00 0.00 C ATOM 768 CD1 LEU A 91 1.036 -0.609 -0.053 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.751 -1.231 1.585 1.00 0.00 C ATOM 0 H LEU A 91 2.631 -3.525 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 91 1.172 -4.089 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.621 -2.882 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.729 -3.251 0.197 1.00 0.00 H new ATOM 0 HG LEU A 91 1.297 -1.819 1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.175 0.330 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.985 -0.924 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.304 -0.468 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.586 -0.283 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.530 -1.107 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.062 -1.984 2.309 1.00 0.00 H new ATOM 781 N THR A 92 0.287 -5.767 -0.864 1.00 0.00 N ATOM 782 CA THR A 92 -0.379 -6.969 -1.335 1.00 0.00 C ATOM 783 C THR A 92 0.134 -8.190 -0.577 1.00 0.00 C ATOM 784 O THR A 92 -0.644 -8.943 0.002 1.00 0.00 O ATOM 785 CB THR A 92 -0.155 -7.119 -2.843 1.00 0.00 C ATOM 786 OG1 THR A 92 -1.115 -6.368 -3.565 1.00 0.00 O ATOM 787 CG2 THR A 92 -0.229 -8.546 -3.340 1.00 0.00 C ATOM 0 H THR A 92 0.664 -5.178 -1.606 1.00 0.00 H new ATOM 0 HA THR A 92 -1.450 -6.889 -1.149 1.00 0.00 H new ATOM 0 HB THR A 92 0.858 -6.753 -3.013 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.957 -6.473 -4.526 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.060 -8.566 -4.417 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.533 -9.145 -2.842 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.214 -8.957 -3.120 1.00 0.00 H new ATOM 795 N LYS A 93 1.450 -8.370 -0.577 1.00 0.00 N ATOM 796 CA LYS A 93 2.070 -9.490 0.124 1.00 0.00 C ATOM 797 C LYS A 93 1.523 -9.621 1.545 1.00 0.00 C ATOM 798 O LYS A 93 1.450 -10.721 2.092 1.00 0.00 O ATOM 799 CB LYS A 93 3.590 -9.317 0.161 1.00 0.00 C ATOM 800 CG LYS A 93 4.355 -10.598 -0.128 1.00 0.00 C ATOM 801 CD LYS A 93 4.552 -10.805 -1.622 1.00 0.00 C ATOM 802 CE LYS A 93 5.979 -11.219 -1.945 1.00 0.00 C ATOM 803 NZ LYS A 93 6.094 -12.687 -2.167 1.00 0.00 N ATOM 0 H LYS A 93 2.109 -7.755 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 93 1.828 -10.403 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.879 -8.559 -0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.881 -8.943 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.326 -10.563 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.815 -11.448 0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.861 -11.569 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.310 -9.884 -2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.318 -10.689 -2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.637 -10.923 -1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.082 -12.929 -2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.795 -13.192 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.486 -12.966 -2.963 1.00 0.00 H new ATOM 817 N HIS A 94 1.149 -8.489 2.142 1.00 0.00 N ATOM 818 CA HIS A 94 0.622 -8.483 3.503 1.00 0.00 C ATOM 819 C HIS A 94 -0.825 -8.973 3.551 1.00 0.00 C ATOM 820 O HIS A 94 -1.332 -9.320 4.618 1.00 0.00 O ATOM 821 CB HIS A 94 0.715 -7.080 4.103 1.00 0.00 C ATOM 822 CG HIS A 94 0.893 -7.081 5.589 1.00 0.00 C ATOM 823 ND1 HIS A 94 2.112 -6.880 6.202 1.00 0.00 N ATOM 824 CD2 HIS A 94 -0.002 -7.267 6.588 1.00 0.00 C ATOM 825 CE1 HIS A 94 1.960 -6.943 7.513 1.00 0.00 C ATOM 826 NE2 HIS A 94 0.687 -7.176 7.773 1.00 0.00 N ATOM 0 H HIS A 94 1.202 -7.569 1.705 1.00 0.00 H new ATOM 0 HA HIS A 94 1.230 -9.170 4.092 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.551 -6.551 3.645 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.189 -6.525 3.853 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.060 -7.452 6.474 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.744 -6.824 8.247 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.281 -7.273 8.703 1.00 0.00 H new ATOM 835 N PHE A 95 -1.490 -8.999 2.399 1.00 0.00 N ATOM 836 CA PHE A 95 -2.877 -9.449 2.336 1.00 0.00 C ATOM 837 C PHE A 95 -3.164 -10.154 1.012 1.00 0.00 C ATOM 838 O PHE A 95 -4.256 -10.032 0.456 1.00 0.00 O ATOM 839 CB PHE A 95 -3.829 -8.262 2.518 1.00 0.00 C ATOM 840 CG PHE A 95 -4.726 -8.401 3.716 1.00 0.00 C ATOM 841 CD1 PHE A 95 -5.362 -9.603 3.987 1.00 0.00 C ATOM 842 CD2 PHE A 95 -4.927 -7.332 4.575 1.00 0.00 C ATOM 843 CE1 PHE A 95 -6.182 -9.735 5.091 1.00 0.00 C ATOM 844 CE2 PHE A 95 -5.748 -7.459 5.680 1.00 0.00 C ATOM 845 CZ PHE A 95 -6.376 -8.661 5.938 1.00 0.00 C ATOM 0 H PHE A 95 -1.094 -8.716 1.503 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.039 -10.162 3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.244 -7.347 2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.442 -8.156 1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.215 -10.446 3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.437 -6.390 4.379 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.671 -10.677 5.292 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.898 -6.618 6.341 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.018 -8.762 6.801 1.00 0.00 H new ATOM 855 N GLN A 96 -2.177 -10.893 0.512 1.00 0.00 N ATOM 856 CA GLN A 96 -2.319 -11.620 -0.747 1.00 0.00 C ATOM 857 C GLN A 96 -3.130 -12.908 -0.577 1.00 0.00 C ATOM 858 O GLN A 96 -2.990 -13.842 -1.367 1.00 0.00 O ATOM 859 CB GLN A 96 -0.942 -11.948 -1.325 1.00 0.00 C ATOM 860 CG GLN A 96 -0.065 -12.762 -0.387 1.00 0.00 C ATOM 861 CD GLN A 96 0.868 -13.698 -1.128 1.00 0.00 C ATOM 862 OE1 GLN A 96 1.604 -13.281 -2.023 1.00 0.00 O ATOM 863 NE2 GLN A 96 0.843 -14.974 -0.758 1.00 0.00 N ATOM 0 H GLN A 96 -1.268 -11.004 0.961 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.862 -10.973 -1.437 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.070 -12.498 -2.257 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.430 -11.018 -1.572 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.522 -12.086 0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.698 -13.342 0.284 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.217 -15.276 -0.011 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.449 -15.651 -1.221 1.00 0.00 H new