USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 824 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 52 SER OG : rot 76:sc= 0.103 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.011) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.264 USER MOD Set 2.2: A 16 SER OG : rot 180:sc= -0.392 USER MOD Set 2.3: A 20 ASN : amide:sc= -3.33! K(o=-3.5!,f=1.1) USER MOD Single : A 19 LYS NZ :NH3+ -115:sc= -0.267 (180deg=-0.648) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -111:sc= 0.573 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot 120:sc= -3.35 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 57 GLN : amide:sc= -4.11! K(o=-4.1!,f=-1.7) USER MOD Single : A 58 THR OG1 : rot -98:sc= 1.14 USER MOD Single : A 59 LYS NZ :NH3+ -130:sc= -0.109 (180deg=-0.572) USER MOD Single : A 61 LYS NZ :NH3+ 141:sc= 0.226 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -144:sc= 0.0126 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -3.59 K(o=-3.6,f=-7.2!) USER MOD Single : A 73 GLN : amide:sc= -0.0984 K(o=-0.098,f=-1.3!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -76:sc= 0.991 USER MOD Single : A 86 THR OG1 : rot -27:sc= 0.238 USER MOD Single : A 88 LYS NZ :NH3+ 179:sc= -0.432 (180deg=-0.459) USER MOD Single : A 91 GLN : amide:sc= -1.71! K(o=-1.7!,f=-1) USER MOD Single : A 92 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0053) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 13:sc= 0.539 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -51:sc= 0.423 USER MOD Single : A 119 ASN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -7.935 5.821 3.527 1.00 0.00 N ATOM 67 CA ASP A 8 -6.693 6.409 3.041 1.00 0.00 C ATOM 68 C ASP A 8 -6.036 5.509 1.999 1.00 0.00 C ATOM 69 O ASP A 8 -5.482 5.989 1.010 1.00 0.00 O ATOM 70 CB ASP A 8 -5.729 6.651 4.204 1.00 0.00 C ATOM 71 CG ASP A 8 -6.341 7.510 5.293 1.00 0.00 C ATOM 72 OD1 ASP A 8 -6.650 8.687 5.017 1.00 0.00 O ATOM 73 OD2 ASP A 8 -6.509 7.005 6.423 1.00 0.00 O ATOM 0 HA ASP A 8 -6.931 7.363 2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.427 5.693 4.627 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.826 7.133 3.829 1.00 0.00 H new ATOM 78 N VAL A 9 -6.101 4.202 2.228 1.00 0.00 N ATOM 79 CA VAL A 9 -5.513 3.234 1.310 1.00 0.00 C ATOM 80 C VAL A 9 -6.219 3.260 -0.042 1.00 0.00 C ATOM 81 O VAL A 9 -7.439 3.411 -0.113 1.00 0.00 O ATOM 82 CB VAL A 9 -5.577 1.806 1.882 1.00 0.00 C ATOM 83 CG1 VAL A 9 -4.997 0.807 0.893 1.00 0.00 C ATOM 84 CG2 VAL A 9 -4.848 1.733 3.215 1.00 0.00 C ATOM 0 H VAL A 9 -6.555 3.788 3.042 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.469 3.518 1.178 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.623 1.548 2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.051 -0.196 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.567 0.841 -0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.956 1.059 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.903 0.717 3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.804 2.011 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.314 2.419 3.923 1.00 0.00 H new ATOM 94 N ILE A 10 -5.444 3.112 -1.110 1.00 0.00 N ATOM 95 CA ILE A 10 -5.995 3.117 -2.460 1.00 0.00 C ATOM 96 C ILE A 10 -6.042 1.708 -3.039 1.00 0.00 C ATOM 97 O ILE A 10 -5.061 0.968 -2.979 1.00 0.00 O ATOM 98 CB ILE A 10 -5.174 4.019 -3.400 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.131 5.451 -2.861 1.00 0.00 C ATOM 100 CG2 ILE A 10 -5.759 3.994 -4.804 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.053 6.303 -3.494 1.00 0.00 C ATOM 0 H ILE A 10 -4.433 2.987 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.009 3.511 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.154 3.637 -3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.100 5.922 -3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.972 5.420 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.167 4.636 -5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.742 2.974 -5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.787 4.354 -4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.081 7.304 -3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.077 5.855 -3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.222 6.365 -4.569 1.00 0.00 H new ATOM 113 N GLU A 11 -7.191 1.344 -3.602 1.00 0.00 N ATOM 114 CA GLU A 11 -7.365 0.022 -4.194 1.00 0.00 C ATOM 115 C GLU A 11 -6.940 0.022 -5.659 1.00 0.00 C ATOM 116 O GLU A 11 -7.538 0.705 -6.491 1.00 0.00 O ATOM 117 CB GLU A 11 -8.823 -0.426 -4.075 1.00 0.00 C ATOM 118 CG GLU A 11 -9.029 -1.907 -4.341 1.00 0.00 C ATOM 119 CD GLU A 11 -10.366 -2.411 -3.834 1.00 0.00 C ATOM 120 OE1 GLU A 11 -11.373 -2.247 -4.555 1.00 0.00 O ATOM 121 OE2 GLU A 11 -10.406 -2.970 -2.718 1.00 0.00 O ATOM 0 H GLU A 11 -8.013 1.945 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.731 -0.678 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.186 -0.192 -3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.429 0.148 -4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.958 -2.093 -5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.228 -2.473 -3.865 1.00 0.00 H new ATOM 128 N LEU A 12 -5.902 -0.749 -5.967 1.00 0.00 N ATOM 129 CA LEU A 12 -5.395 -0.839 -7.332 1.00 0.00 C ATOM 130 C LEU A 12 -5.622 -2.233 -7.907 1.00 0.00 C ATOM 131 O LEU A 12 -5.780 -3.204 -7.166 1.00 0.00 O ATOM 132 CB LEU A 12 -3.904 -0.497 -7.367 1.00 0.00 C ATOM 133 CG LEU A 12 -3.525 0.901 -6.877 1.00 0.00 C ATOM 134 CD1 LEU A 12 -2.019 1.011 -6.692 1.00 0.00 C ATOM 135 CD2 LEU A 12 -4.023 1.960 -7.850 1.00 0.00 C ATOM 0 H LEU A 12 -5.396 -1.320 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.941 -0.121 -7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.369 -1.230 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.550 -0.610 -8.392 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.003 1.069 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.767 2.013 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.688 0.277 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.521 0.822 -7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.744 2.949 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.574 1.794 -8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.108 1.896 -7.933 1.00 0.00 H new ATOM 147 N THR A 13 -5.636 -2.326 -9.233 1.00 0.00 N ATOM 148 CA THR A 13 -5.842 -3.602 -9.907 1.00 0.00 C ATOM 149 C THR A 13 -4.587 -4.039 -10.653 1.00 0.00 C ATOM 150 O THR A 13 -3.543 -3.392 -10.564 1.00 0.00 O ATOM 151 CB THR A 13 -7.016 -3.528 -10.902 1.00 0.00 C ATOM 152 OG1 THR A 13 -6.812 -2.449 -11.821 1.00 0.00 O ATOM 153 CG2 THR A 13 -8.335 -3.334 -10.169 1.00 0.00 C ATOM 0 H THR A 13 -5.507 -1.533 -9.861 1.00 0.00 H new ATOM 0 HA THR A 13 -6.075 -4.334 -9.134 1.00 0.00 H new ATOM 0 HB THR A 13 -7.058 -4.469 -11.451 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.562 -2.410 -12.451 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.149 -3.285 -10.892 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.501 -4.172 -9.492 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.301 -2.407 -9.597 1.00 0.00 H new ATOM 161 N ASP A 14 -4.694 -5.141 -11.387 1.00 0.00 N ATOM 162 CA ASP A 14 -3.567 -5.664 -12.150 1.00 0.00 C ATOM 163 C ASP A 14 -3.416 -4.922 -13.475 1.00 0.00 C ATOM 164 O ASP A 14 -2.546 -5.246 -14.284 1.00 0.00 O ATOM 165 CB ASP A 14 -3.748 -7.161 -12.407 1.00 0.00 C ATOM 166 CG ASP A 14 -5.198 -7.537 -12.637 1.00 0.00 C ATOM 167 OD1 ASP A 14 -5.951 -6.697 -13.172 1.00 0.00 O ATOM 168 OD2 ASP A 14 -5.581 -8.672 -12.282 1.00 0.00 O ATOM 0 H ASP A 14 -5.550 -5.690 -11.470 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.661 -5.511 -11.564 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.158 -7.451 -13.276 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.361 -7.722 -11.557 1.00 0.00 H new ATOM 173 N ASP A 15 -4.270 -3.928 -13.691 1.00 0.00 N ATOM 174 CA ASP A 15 -4.233 -3.140 -14.917 1.00 0.00 C ATOM 175 C ASP A 15 -3.949 -1.673 -14.613 1.00 0.00 C ATOM 176 O ASP A 15 -3.042 -1.073 -15.189 1.00 0.00 O ATOM 177 CB ASP A 15 -5.556 -3.271 -15.673 1.00 0.00 C ATOM 178 CG ASP A 15 -5.846 -4.699 -16.091 1.00 0.00 C ATOM 179 OD1 ASP A 15 -4.919 -5.370 -16.592 1.00 0.00 O ATOM 180 OD2 ASP A 15 -6.999 -5.146 -15.919 1.00 0.00 O ATOM 0 H ASP A 15 -4.997 -3.649 -13.032 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.427 -3.524 -15.542 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.368 -2.908 -15.043 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.530 -2.635 -16.558 1.00 0.00 H new ATOM 185 N SER A 16 -4.732 -1.100 -13.703 1.00 0.00 N ATOM 186 CA SER A 16 -4.568 0.298 -13.325 1.00 0.00 C ATOM 187 C SER A 16 -3.289 0.497 -12.518 1.00 0.00 C ATOM 188 O SER A 16 -2.753 1.603 -12.445 1.00 0.00 O ATOM 189 CB SER A 16 -5.776 0.774 -12.515 1.00 0.00 C ATOM 190 OG SER A 16 -5.578 0.554 -11.129 1.00 0.00 O ATOM 0 H SER A 16 -5.486 -1.583 -13.215 1.00 0.00 H new ATOM 0 HA SER A 16 -4.496 0.889 -14.238 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.945 1.835 -12.698 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.671 0.247 -12.846 1.00 0.00 H new ATOM 0 HG SER A 16 -6.363 0.868 -10.633 1.00 0.00 H new ATOM 196 N PHE A 17 -2.805 -0.583 -11.913 1.00 0.00 N ATOM 197 CA PHE A 17 -1.589 -0.529 -11.110 1.00 0.00 C ATOM 198 C PHE A 17 -0.501 0.269 -11.823 1.00 0.00 C ATOM 199 O PHE A 17 0.259 1.004 -11.192 1.00 0.00 O ATOM 200 CB PHE A 17 -1.087 -1.943 -10.810 1.00 0.00 C ATOM 201 CG PHE A 17 0.356 -1.992 -10.399 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.358 -1.674 -11.302 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.712 -2.356 -9.111 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.688 -1.719 -10.927 1.00 0.00 C ATOM 205 CE2 PHE A 17 2.040 -2.402 -8.730 1.00 0.00 C ATOM 206 CZ PHE A 17 3.029 -2.082 -9.639 1.00 0.00 C ATOM 0 H PHE A 17 -3.236 -1.506 -11.964 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.826 -0.028 -10.171 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.697 -2.376 -10.017 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.226 -2.565 -11.695 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.097 -1.388 -12.310 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.057 -2.607 -8.396 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.460 -1.470 -11.641 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.304 -2.688 -7.722 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.067 -2.116 -9.343 1.00 0.00 H new ATOM 216 N ASP A 18 -0.433 0.117 -13.141 1.00 0.00 N ATOM 217 CA ASP A 18 0.561 0.823 -13.941 1.00 0.00 C ATOM 218 C ASP A 18 0.080 2.228 -14.290 1.00 0.00 C ATOM 219 O ASP A 18 0.847 3.190 -14.238 1.00 0.00 O ATOM 220 CB ASP A 18 0.865 0.042 -15.221 1.00 0.00 C ATOM 221 CG ASP A 18 -0.387 -0.518 -15.868 1.00 0.00 C ATOM 222 OD1 ASP A 18 -1.092 0.247 -16.559 1.00 0.00 O ATOM 223 OD2 ASP A 18 -0.661 -1.722 -15.683 1.00 0.00 O ATOM 0 H ASP A 18 -1.054 -0.488 -13.678 1.00 0.00 H new ATOM 0 HA ASP A 18 1.473 0.907 -13.350 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.376 0.695 -15.929 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.548 -0.775 -14.991 1.00 0.00 H new ATOM 228 N LYS A 19 -1.195 2.340 -14.646 1.00 0.00 N ATOM 229 CA LYS A 19 -1.780 3.627 -15.004 1.00 0.00 C ATOM 230 C LYS A 19 -1.891 4.532 -13.781 1.00 0.00 C ATOM 231 O LYS A 19 -2.162 5.726 -13.904 1.00 0.00 O ATOM 232 CB LYS A 19 -3.161 3.426 -15.630 1.00 0.00 C ATOM 233 CG LYS A 19 -3.194 2.345 -16.697 1.00 0.00 C ATOM 234 CD LYS A 19 -4.425 2.469 -17.580 1.00 0.00 C ATOM 235 CE LYS A 19 -5.606 1.707 -17.000 1.00 0.00 C ATOM 236 NZ LYS A 19 -5.360 0.238 -16.974 1.00 0.00 N ATOM 0 H LYS A 19 -1.844 1.554 -14.694 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.125 4.107 -15.731 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.873 3.172 -14.845 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.493 4.367 -16.068 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.296 2.412 -17.312 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.183 1.364 -16.222 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.689 3.521 -17.692 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.199 2.089 -18.576 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.804 2.060 -15.988 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.498 1.915 -17.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.029 -0.237 -17.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.387 0.043 -17.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.493 -0.119 -16.006 1.00 0.00 H new ATOM 250 N ASN A 20 -1.679 3.956 -12.603 1.00 0.00 N ATOM 251 CA ASN A 20 -1.754 4.712 -11.358 1.00 0.00 C ATOM 252 C ASN A 20 -0.362 4.961 -10.787 1.00 0.00 C ATOM 253 O ASN A 20 -0.133 5.946 -10.086 1.00 0.00 O ATOM 254 CB ASN A 20 -2.612 3.965 -10.334 1.00 0.00 C ATOM 255 CG ASN A 20 -4.097 4.129 -10.595 1.00 0.00 C ATOM 256 OD1 ASN A 20 -4.688 5.156 -10.259 1.00 0.00 O ATOM 257 ND2 ASN A 20 -4.708 3.114 -11.195 1.00 0.00 N ATOM 0 H ASN A 20 -1.454 2.968 -12.484 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.215 5.675 -11.575 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.357 2.905 -10.354 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.379 4.330 -9.334 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.707 3.166 -11.395 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.178 2.282 -11.456 1.00 0.00 H new ATOM 264 N VAL A 21 0.567 4.059 -11.092 1.00 0.00 N ATOM 265 CA VAL A 21 1.937 4.181 -10.611 1.00 0.00 C ATOM 266 C VAL A 21 2.862 4.696 -11.709 1.00 0.00 C ATOM 267 O VAL A 21 3.398 5.801 -11.616 1.00 0.00 O ATOM 268 CB VAL A 21 2.473 2.832 -10.095 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.930 2.960 -9.677 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.621 2.328 -8.940 1.00 0.00 C ATOM 0 H VAL A 21 0.395 3.236 -11.670 1.00 0.00 H new ATOM 0 HA VAL A 21 1.921 4.896 -9.789 1.00 0.00 H new ATOM 0 HB VAL A 21 2.415 2.104 -10.904 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.291 1.997 -9.315 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.528 3.273 -10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.017 3.701 -8.883 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.013 1.374 -8.588 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.645 3.053 -8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.593 2.195 -9.277 1.00 0.00 H new ATOM 280 N LEU A 22 3.043 3.889 -12.748 1.00 0.00 N ATOM 281 CA LEU A 22 3.902 4.263 -13.866 1.00 0.00 C ATOM 282 C LEU A 22 3.422 5.558 -14.513 1.00 0.00 C ATOM 283 O LEU A 22 4.226 6.411 -14.890 1.00 0.00 O ATOM 284 CB LEU A 22 3.935 3.142 -14.907 1.00 0.00 C ATOM 285 CG LEU A 22 4.199 1.735 -14.369 1.00 0.00 C ATOM 286 CD1 LEU A 22 4.214 0.723 -15.505 1.00 0.00 C ATOM 287 CD2 LEU A 22 5.512 1.695 -13.600 1.00 0.00 C ATOM 0 H LEU A 22 2.607 2.972 -12.840 1.00 0.00 H new ATOM 0 HA LEU A 22 4.909 4.423 -13.480 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.981 3.135 -15.434 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.704 3.379 -15.642 1.00 0.00 H new ATOM 0 HG LEU A 22 3.392 1.471 -13.685 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.403 -0.272 -15.103 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.250 0.732 -16.013 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.000 0.983 -16.214 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.683 0.686 -13.225 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.330 1.980 -14.262 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.464 2.391 -12.762 1.00 0.00 H new ATOM 299 N ASP A 23 2.107 5.699 -14.636 1.00 0.00 N ATOM 300 CA ASP A 23 1.519 6.892 -15.234 1.00 0.00 C ATOM 301 C ASP A 23 1.479 8.040 -14.230 1.00 0.00 C ATOM 302 O ASP A 23 0.937 9.108 -14.514 1.00 0.00 O ATOM 303 CB ASP A 23 0.107 6.592 -15.740 1.00 0.00 C ATOM 304 CG ASP A 23 0.097 6.113 -17.178 1.00 0.00 C ATOM 305 OD1 ASP A 23 0.743 5.083 -17.465 1.00 0.00 O ATOM 306 OD2 ASP A 23 -0.558 6.767 -18.016 1.00 0.00 O ATOM 0 H ASP A 23 1.428 5.002 -14.330 1.00 0.00 H new ATOM 0 HA ASP A 23 2.143 7.191 -16.076 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.350 5.834 -15.104 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.505 7.490 -15.655 1.00 0.00 H new ATOM 311 N SER A 24 2.057 7.812 -13.055 1.00 0.00 N ATOM 312 CA SER A 24 2.084 8.825 -12.007 1.00 0.00 C ATOM 313 C SER A 24 3.505 9.041 -11.496 1.00 0.00 C ATOM 314 O SER A 24 4.180 8.095 -11.090 1.00 0.00 O ATOM 315 CB SER A 24 1.170 8.417 -10.849 1.00 0.00 C ATOM 316 OG SER A 24 0.809 9.539 -10.064 1.00 0.00 O ATOM 0 H SER A 24 2.513 6.934 -12.805 1.00 0.00 H new ATOM 0 HA SER A 24 1.723 9.761 -12.433 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.272 7.940 -11.241 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.676 7.680 -10.225 1.00 0.00 H new ATOM 0 HG SER A 24 0.224 9.252 -9.332 1.00 0.00 H new ATOM 322 N GLU A 25 3.952 10.293 -11.519 1.00 0.00 N ATOM 323 CA GLU A 25 5.293 10.633 -11.059 1.00 0.00 C ATOM 324 C GLU A 25 5.321 10.805 -9.543 1.00 0.00 C ATOM 325 O GLU A 25 5.999 11.689 -9.020 1.00 0.00 O ATOM 326 CB GLU A 25 5.779 11.916 -11.738 1.00 0.00 C ATOM 327 CG GLU A 25 5.982 11.772 -13.237 1.00 0.00 C ATOM 328 CD GLU A 25 6.396 13.073 -13.897 1.00 0.00 C ATOM 329 OE1 GLU A 25 7.401 13.668 -13.455 1.00 0.00 O ATOM 330 OE2 GLU A 25 5.716 13.496 -14.854 1.00 0.00 O ATOM 0 H GLU A 25 3.405 11.088 -11.851 1.00 0.00 H new ATOM 0 HA GLU A 25 5.960 9.813 -11.327 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.057 12.711 -11.552 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.719 12.226 -11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.743 11.015 -13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.058 11.416 -13.692 1.00 0.00 H new ATOM 337 N ASP A 26 4.580 9.953 -8.844 1.00 0.00 N ATOM 338 CA ASP A 26 4.519 10.009 -7.388 1.00 0.00 C ATOM 339 C ASP A 26 4.862 8.654 -6.777 1.00 0.00 C ATOM 340 O ASP A 26 4.749 7.619 -7.434 1.00 0.00 O ATOM 341 CB ASP A 26 3.128 10.451 -6.930 1.00 0.00 C ATOM 342 CG ASP A 26 2.916 11.945 -7.084 1.00 0.00 C ATOM 343 OD1 ASP A 26 2.878 12.423 -8.237 1.00 0.00 O ATOM 344 OD2 ASP A 26 2.789 12.635 -6.051 1.00 0.00 O ATOM 0 H ASP A 26 4.013 9.215 -9.262 1.00 0.00 H new ATOM 0 HA ASP A 26 5.254 10.738 -7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.372 9.918 -7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.987 10.172 -5.886 1.00 0.00 H new ATOM 349 N VAL A 27 5.282 8.668 -5.516 1.00 0.00 N ATOM 350 CA VAL A 27 5.641 7.440 -4.816 1.00 0.00 C ATOM 351 C VAL A 27 4.404 6.611 -4.490 1.00 0.00 C ATOM 352 O VAL A 27 3.475 7.092 -3.840 1.00 0.00 O ATOM 353 CB VAL A 27 6.403 7.740 -3.511 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.789 6.448 -2.809 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.632 8.590 -3.796 1.00 0.00 C ATOM 0 H VAL A 27 5.382 9.516 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 27 6.289 6.873 -5.484 1.00 0.00 H new ATOM 0 HB VAL A 27 5.746 8.303 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.326 6.680 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.889 5.881 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.429 5.855 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.159 8.793 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.294 8.056 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.325 9.532 -4.251 1.00 0.00 H new ATOM 365 N TRP A 28 4.398 5.364 -4.944 1.00 0.00 N ATOM 366 CA TRP A 28 3.274 4.466 -4.700 1.00 0.00 C ATOM 367 C TRP A 28 3.711 3.257 -3.881 1.00 0.00 C ATOM 368 O TRP A 28 4.482 2.422 -4.353 1.00 0.00 O ATOM 369 CB TRP A 28 2.665 4.007 -6.026 1.00 0.00 C ATOM 370 CG TRP A 28 1.733 5.012 -6.632 1.00 0.00 C ATOM 371 CD1 TRP A 28 2.066 6.037 -7.471 1.00 0.00 C ATOM 372 CD2 TRP A 28 0.316 5.090 -6.443 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.941 6.747 -7.816 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.145 6.186 -7.199 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.608 4.340 -5.711 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.489 6.548 -7.240 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.942 4.701 -5.753 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.372 5.796 -6.514 1.00 0.00 C ATOM 0 H TRP A 28 5.159 4.950 -5.483 1.00 0.00 H new ATOM 0 HA TRP A 28 2.521 5.012 -4.132 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.468 3.795 -6.732 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.126 3.073 -5.866 1.00 0.00 H new ATOM 0 HD1 TRP A 28 3.066 6.257 -7.813 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.919 7.560 -8.432 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.286 3.493 -5.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.823 7.393 -7.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.665 4.129 -5.190 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.421 6.052 -6.528 1.00 0.00 H new ATOM 389 N MET A 29 3.214 3.170 -2.652 1.00 0.00 N ATOM 390 CA MET A 29 3.553 2.060 -1.768 1.00 0.00 C ATOM 391 C MET A 29 2.570 0.907 -1.942 1.00 0.00 C ATOM 392 O MET A 29 1.441 0.960 -1.453 1.00 0.00 O ATOM 393 CB MET A 29 3.559 2.525 -0.310 1.00 0.00 C ATOM 394 CG MET A 29 4.906 3.056 0.153 1.00 0.00 C ATOM 395 SD MET A 29 4.991 3.269 1.941 1.00 0.00 S ATOM 396 CE MET A 29 6.519 2.413 2.312 1.00 0.00 C ATOM 0 H MET A 29 2.576 3.854 -2.245 1.00 0.00 H new ATOM 0 HA MET A 29 4.550 1.708 -2.034 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.807 3.304 -0.183 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.267 1.692 0.330 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.691 2.370 -0.165 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.102 4.012 -0.333 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.710 2.457 3.384 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.437 1.372 2.001 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.341 2.888 1.777 1.00 0.00 H new ATOM 406 N VAL A 30 3.006 -0.136 -2.642 1.00 0.00 N ATOM 407 CA VAL A 30 2.164 -1.303 -2.879 1.00 0.00 C ATOM 408 C VAL A 30 2.394 -2.372 -1.817 1.00 0.00 C ATOM 409 O VAL A 30 3.494 -2.909 -1.692 1.00 0.00 O ATOM 410 CB VAL A 30 2.428 -1.911 -4.269 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.571 -3.150 -4.482 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.171 -0.881 -5.359 1.00 0.00 C ATOM 0 H VAL A 30 3.937 -0.197 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 30 1.130 -0.963 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 30 3.475 -2.209 -4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.771 -3.566 -5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.809 -3.893 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.517 -2.881 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.363 -1.328 -6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.134 -0.550 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.832 -0.027 -5.215 1.00 0.00 H new ATOM 422 N GLU A 31 1.348 -2.675 -1.054 1.00 0.00 N ATOM 423 CA GLU A 31 1.437 -3.680 -0.001 1.00 0.00 C ATOM 424 C GLU A 31 0.484 -4.840 -0.275 1.00 0.00 C ATOM 425 O GLU A 31 -0.731 -4.707 -0.127 1.00 0.00 O ATOM 426 CB GLU A 31 1.121 -3.055 1.359 1.00 0.00 C ATOM 427 CG GLU A 31 1.347 -3.998 2.529 1.00 0.00 C ATOM 428 CD GLU A 31 1.179 -3.312 3.871 1.00 0.00 C ATOM 429 OE1 GLU A 31 0.043 -2.900 4.188 1.00 0.00 O ATOM 430 OE2 GLU A 31 2.182 -3.188 4.605 1.00 0.00 O ATOM 0 H GLU A 31 0.430 -2.239 -1.145 1.00 0.00 H new ATOM 0 HA GLU A 31 2.456 -4.066 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.739 -2.167 1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.082 -2.724 1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.647 -4.831 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.350 -4.419 2.463 1.00 0.00 H new ATOM 437 N PHE A 32 1.044 -5.977 -0.674 1.00 0.00 N ATOM 438 CA PHE A 32 0.245 -7.160 -0.970 1.00 0.00 C ATOM 439 C PHE A 32 -0.195 -7.854 0.316 1.00 0.00 C ATOM 440 O PHE A 32 0.633 -8.239 1.141 1.00 0.00 O ATOM 441 CB PHE A 32 1.040 -8.133 -1.842 1.00 0.00 C ATOM 442 CG PHE A 32 1.616 -7.499 -3.076 1.00 0.00 C ATOM 443 CD1 PHE A 32 2.781 -6.753 -3.007 1.00 0.00 C ATOM 444 CD2 PHE A 32 0.993 -7.650 -4.304 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.313 -6.168 -4.141 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.520 -7.068 -5.441 1.00 0.00 C ATOM 447 CZ PHE A 32 2.683 -6.327 -5.360 1.00 0.00 C ATOM 0 H PHE A 32 2.048 -6.104 -0.800 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.645 -6.841 -1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.850 -8.560 -1.251 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.391 -8.958 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.279 -6.627 -2.057 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.084 -8.230 -4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.221 -5.587 -4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.023 -7.192 -6.392 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.099 -5.873 -6.247 1.00 0.00 H new ATOM 457 N TYR A 33 -1.505 -8.011 0.478 1.00 0.00 N ATOM 458 CA TYR A 33 -2.056 -8.656 1.663 1.00 0.00 C ATOM 459 C TYR A 33 -3.006 -9.785 1.277 1.00 0.00 C ATOM 460 O TYR A 33 -3.462 -9.866 0.137 1.00 0.00 O ATOM 461 CB TYR A 33 -2.790 -7.632 2.532 1.00 0.00 C ATOM 462 CG TYR A 33 -4.128 -7.210 1.970 1.00 0.00 C ATOM 463 CD1 TYR A 33 -5.242 -8.033 2.081 1.00 0.00 C ATOM 464 CD2 TYR A 33 -4.280 -5.988 1.326 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.467 -7.652 1.569 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.501 -5.598 0.811 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.591 -6.434 0.935 1.00 0.00 C ATOM 468 OH TYR A 33 -7.809 -6.049 0.423 1.00 0.00 O ATOM 0 H TYR A 33 -2.204 -7.700 -0.197 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.229 -9.080 2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.939 -8.052 3.527 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.160 -6.750 2.650 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.148 -8.988 2.577 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.428 -5.331 1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.322 -8.304 1.665 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.602 -4.644 0.314 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.764 -6.040 -0.556 1.00 0.00 H new ATOM 478 N ALA A 34 -3.300 -10.657 2.237 1.00 0.00 N ATOM 479 CA ALA A 34 -4.197 -11.781 2.000 1.00 0.00 C ATOM 480 C ALA A 34 -5.369 -11.763 2.975 1.00 0.00 C ATOM 481 O ALA A 34 -5.197 -11.645 4.188 1.00 0.00 O ATOM 482 CB ALA A 34 -3.437 -13.094 2.109 1.00 0.00 C ATOM 0 H ALA A 34 -2.930 -10.606 3.186 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.597 -11.688 0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.119 -13.925 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.638 -13.114 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.009 -13.185 3.107 1.00 0.00 H new ATOM 488 N PRO A 35 -6.591 -11.881 2.434 1.00 0.00 N ATOM 489 CA PRO A 35 -7.816 -11.881 3.239 1.00 0.00 C ATOM 490 C PRO A 35 -7.958 -13.145 4.079 1.00 0.00 C ATOM 491 O PRO A 35 -8.891 -13.274 4.872 1.00 0.00 O ATOM 492 CB PRO A 35 -8.929 -11.807 2.191 1.00 0.00 C ATOM 493 CG PRO A 35 -8.329 -12.390 0.959 1.00 0.00 C ATOM 494 CD PRO A 35 -6.871 -12.024 0.996 1.00 0.00 C ATOM 0 HA PRO A 35 -7.832 -11.061 3.956 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.808 -12.369 2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.250 -10.778 2.026 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.459 -13.472 0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.809 -11.992 0.065 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.251 -12.797 0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.675 -11.098 0.455 1.00 0.00 H new ATOM 502 N TRP A 36 -7.028 -14.076 3.900 1.00 0.00 N ATOM 503 CA TRP A 36 -7.050 -15.331 4.642 1.00 0.00 C ATOM 504 C TRP A 36 -5.731 -15.554 5.374 1.00 0.00 C ATOM 505 O TRP A 36 -5.341 -16.693 5.637 1.00 0.00 O ATOM 506 CB TRP A 36 -7.327 -16.502 3.698 1.00 0.00 C ATOM 507 CG TRP A 36 -6.738 -16.315 2.332 1.00 0.00 C ATOM 508 CD1 TRP A 36 -7.415 -16.038 1.179 1.00 0.00 C ATOM 509 CD2 TRP A 36 -5.353 -16.394 1.978 1.00 0.00 C ATOM 510 NE1 TRP A 36 -6.534 -15.940 0.129 1.00 0.00 N ATOM 511 CE2 TRP A 36 -5.263 -16.153 0.593 1.00 0.00 C ATOM 512 CE3 TRP A 36 -4.181 -16.642 2.696 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -4.047 -16.156 -0.085 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.974 -16.644 2.022 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.915 -16.401 0.643 1.00 0.00 C ATOM 0 H TRP A 36 -6.249 -13.985 3.247 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.849 -15.272 5.381 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.926 -17.416 4.137 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.405 -16.638 3.606 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.485 -15.914 1.103 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.786 -15.741 -0.839 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.217 -16.829 3.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.999 -15.971 -1.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.062 -16.836 2.567 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.957 -16.407 0.145 1.00 0.00 H new ATOM 526 N CYS A 37 -5.049 -14.462 5.701 1.00 0.00 N ATOM 527 CA CYS A 37 -3.772 -14.539 6.402 1.00 0.00 C ATOM 528 C CYS A 37 -3.798 -13.695 7.672 1.00 0.00 C ATOM 529 O CYS A 37 -3.905 -12.471 7.614 1.00 0.00 O ATOM 530 CB CYS A 37 -2.636 -14.075 5.489 1.00 0.00 C ATOM 531 SG CYS A 37 -0.986 -14.519 6.080 1.00 0.00 S ATOM 0 H CYS A 37 -5.359 -13.513 5.492 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.601 -15.579 6.682 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.783 -14.504 4.498 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.692 -12.992 5.379 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.093 -14.086 5.240 1.00 0.00 H new ATOM 537 N GLY A 38 -3.701 -14.359 8.820 1.00 0.00 N ATOM 538 CA GLY A 38 -3.717 -13.654 10.088 1.00 0.00 C ATOM 539 C GLY A 38 -2.589 -12.648 10.207 1.00 0.00 C ATOM 540 O GLY A 38 -2.825 -11.439 10.232 1.00 0.00 O ATOM 0 H GLY A 38 -3.612 -15.372 8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.671 -13.140 10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.644 -14.375 10.902 1.00 0.00 H new ATOM 544 N HIS A 39 -1.359 -13.146 10.280 1.00 0.00 N ATOM 545 CA HIS A 39 -0.190 -12.281 10.398 1.00 0.00 C ATOM 546 C HIS A 39 -0.362 -11.017 9.561 1.00 0.00 C ATOM 547 O HIS A 39 0.196 -9.968 9.882 1.00 0.00 O ATOM 548 CB HIS A 39 1.070 -13.029 9.960 1.00 0.00 C ATOM 549 CG HIS A 39 2.313 -12.570 10.658 1.00 0.00 C ATOM 550 ND1 HIS A 39 3.346 -11.926 10.009 1.00 0.00 N ATOM 551 CD2 HIS A 39 2.685 -12.662 11.956 1.00 0.00 C ATOM 552 CE1 HIS A 39 4.300 -11.644 10.878 1.00 0.00 C ATOM 553 NE2 HIS A 39 3.923 -12.080 12.067 1.00 0.00 N ATOM 0 H HIS A 39 -1.146 -14.143 10.260 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.087 -11.992 11.444 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.932 -14.094 10.144 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.200 -12.906 8.885 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.114 -13.110 12.756 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.230 -11.142 10.655 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.464 -11.997 12.928 1.00 0.00 H new ATOM 562 N CYS A 40 -1.138 -11.126 8.488 1.00 0.00 N ATOM 563 CA CYS A 40 -1.382 -9.992 7.604 1.00 0.00 C ATOM 564 C CYS A 40 -2.528 -9.132 8.127 1.00 0.00 C ATOM 565 O CYS A 40 -2.458 -7.903 8.104 1.00 0.00 O ATOM 566 CB CYS A 40 -1.699 -10.480 6.190 1.00 0.00 C ATOM 567 SG CYS A 40 -1.171 -9.348 4.882 1.00 0.00 S ATOM 0 H CYS A 40 -1.608 -11.987 8.210 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.478 -9.383 7.576 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.219 -11.446 6.035 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.774 -10.640 6.105 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.320 -9.950 4.105 1.00 0.00 H new ATOM 573 N LYS A 41 -3.585 -9.786 8.597 1.00 0.00 N ATOM 574 CA LYS A 41 -4.748 -9.083 9.125 1.00 0.00 C ATOM 575 C LYS A 41 -4.333 -8.060 10.178 1.00 0.00 C ATOM 576 O LYS A 41 -4.926 -6.987 10.281 1.00 0.00 O ATOM 577 CB LYS A 41 -5.740 -10.079 9.730 1.00 0.00 C ATOM 578 CG LYS A 41 -5.537 -10.313 11.217 1.00 0.00 C ATOM 579 CD LYS A 41 -6.608 -11.226 11.790 1.00 0.00 C ATOM 580 CE LYS A 41 -7.861 -10.449 12.163 1.00 0.00 C ATOM 581 NZ LYS A 41 -8.988 -11.354 12.525 1.00 0.00 N ATOM 0 H LYS A 41 -3.660 -10.803 8.623 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.228 -8.556 8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.754 -9.716 9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.652 -11.031 9.206 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.554 -10.753 11.386 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.553 -9.358 11.742 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.860 -11.996 11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.219 -11.736 12.671 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.642 -9.788 13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.158 -9.816 11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.823 -10.786 12.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.214 -11.968 11.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.714 -11.941 13.339 1.00 0.00 H new ATOM 595 N ASN A 42 -3.310 -8.399 10.955 1.00 0.00 N ATOM 596 CA ASN A 42 -2.815 -7.509 11.999 1.00 0.00 C ATOM 597 C ASN A 42 -2.182 -6.260 11.394 1.00 0.00 C ATOM 598 O ASN A 42 -2.069 -5.226 12.053 1.00 0.00 O ATOM 599 CB ASN A 42 -1.795 -8.236 12.878 1.00 0.00 C ATOM 600 CG ASN A 42 -2.418 -9.371 13.668 1.00 0.00 C ATOM 601 OD1 ASN A 42 -3.412 -9.182 14.370 1.00 0.00 O ATOM 602 ND2 ASN A 42 -1.835 -10.559 13.557 1.00 0.00 N ATOM 0 H ASN A 42 -2.807 -9.284 10.882 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.662 -7.205 12.613 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.994 -8.629 12.252 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.340 -7.524 13.567 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.209 -11.360 14.065 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.013 -10.670 12.964 1.00 0.00 H new ATOM 609 N LEU A 43 -1.771 -6.363 10.135 1.00 0.00 N ATOM 610 CA LEU A 43 -1.149 -5.241 9.439 1.00 0.00 C ATOM 611 C LEU A 43 -2.202 -4.369 8.763 1.00 0.00 C ATOM 612 O LEU A 43 -2.024 -3.159 8.626 1.00 0.00 O ATOM 613 CB LEU A 43 -0.149 -5.751 8.400 1.00 0.00 C ATOM 614 CG LEU A 43 0.198 -4.781 7.270 1.00 0.00 C ATOM 615 CD1 LEU A 43 1.310 -3.837 7.700 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.599 -5.545 6.016 1.00 0.00 C ATOM 0 H LEU A 43 -1.857 -7.211 9.575 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.621 -4.636 10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.773 -6.022 8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.548 -6.664 7.958 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.687 -4.187 7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.544 -3.154 6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.986 -3.265 8.570 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.199 -4.414 7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.843 -4.839 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.470 -6.165 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.228 -6.179 5.696 1.00 0.00 H new ATOM 628 N GLU A 44 -3.300 -4.992 8.344 1.00 0.00 N ATOM 629 CA GLU A 44 -4.381 -4.271 7.684 1.00 0.00 C ATOM 630 C GLU A 44 -4.534 -2.868 8.265 1.00 0.00 C ATOM 631 O GLU A 44 -4.443 -1.863 7.559 1.00 0.00 O ATOM 632 CB GLU A 44 -5.697 -5.039 7.825 1.00 0.00 C ATOM 633 CG GLU A 44 -6.922 -4.142 7.892 1.00 0.00 C ATOM 634 CD GLU A 44 -7.155 -3.378 6.603 1.00 0.00 C ATOM 635 OE1 GLU A 44 -7.839 -3.919 5.709 1.00 0.00 O ATOM 636 OE2 GLU A 44 -6.655 -2.239 6.489 1.00 0.00 O ATOM 0 H GLU A 44 -3.463 -5.993 8.450 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.131 -4.183 6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.802 -5.721 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.656 -5.651 8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.800 -4.748 8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.806 -3.435 8.713 1.00 0.00 H new ATOM 643 N PRO A 45 -4.774 -2.796 9.583 1.00 0.00 N ATOM 644 CA PRO A 45 -4.945 -1.523 10.288 1.00 0.00 C ATOM 645 C PRO A 45 -3.644 -0.733 10.383 1.00 0.00 C ATOM 646 O PRO A 45 -3.647 0.495 10.307 1.00 0.00 O ATOM 647 CB PRO A 45 -5.414 -1.950 11.682 1.00 0.00 C ATOM 648 CG PRO A 45 -4.882 -3.330 11.854 1.00 0.00 C ATOM 649 CD PRO A 45 -4.896 -3.953 10.485 1.00 0.00 C ATOM 0 HA PRO A 45 -5.642 -0.862 9.772 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.031 -1.279 12.451 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.501 -1.933 11.756 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.872 -3.311 12.264 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.497 -3.902 12.549 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.071 -4.654 10.354 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.817 -4.507 10.305 1.00 0.00 H new ATOM 657 N GLU A 46 -2.534 -1.447 10.548 1.00 0.00 N ATOM 658 CA GLU A 46 -1.227 -0.811 10.653 1.00 0.00 C ATOM 659 C GLU A 46 -0.886 -0.053 9.373 1.00 0.00 C ATOM 660 O GLU A 46 -0.202 0.970 9.408 1.00 0.00 O ATOM 661 CB GLU A 46 -0.148 -1.856 10.942 1.00 0.00 C ATOM 662 CG GLU A 46 -0.297 -2.526 12.297 1.00 0.00 C ATOM 663 CD GLU A 46 -0.668 -1.547 13.394 1.00 0.00 C ATOM 664 OE1 GLU A 46 -1.840 -1.116 13.434 1.00 0.00 O ATOM 665 OE2 GLU A 46 0.213 -1.213 14.213 1.00 0.00 O ATOM 0 H GLU A 46 -2.515 -2.465 10.612 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.264 -0.099 11.478 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.175 -2.619 10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.831 -1.380 10.887 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.061 -3.301 12.233 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.638 -3.021 12.558 1.00 0.00 H new ATOM 672 N TRP A 47 -1.367 -0.563 8.245 1.00 0.00 N ATOM 673 CA TRP A 47 -1.113 0.064 6.953 1.00 0.00 C ATOM 674 C TRP A 47 -2.073 1.224 6.713 1.00 0.00 C ATOM 675 O TRP A 47 -1.672 2.287 6.242 1.00 0.00 O ATOM 676 CB TRP A 47 -1.244 -0.964 5.829 1.00 0.00 C ATOM 677 CG TRP A 47 -0.803 -0.445 4.494 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.603 0.027 3.493 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.542 -0.346 4.014 1.00 0.00 C ATOM 680 NE1 TRP A 47 -0.837 0.413 2.420 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.483 0.195 2.715 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.791 -0.660 4.556 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.625 0.426 1.952 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.924 -0.431 3.798 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.834 0.109 2.508 1.00 0.00 C ATOM 0 H TRP A 47 -1.935 -1.409 8.199 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.095 0.455 6.961 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -0.653 -1.845 6.081 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.283 -1.286 5.760 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.680 0.088 3.538 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.193 0.799 1.546 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.870 -1.075 5.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.558 0.841 0.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.894 -0.672 4.207 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.738 0.278 1.941 1.00 0.00 H new ATOM 696 N ALA A 48 -3.344 1.011 7.039 1.00 0.00 N ATOM 697 CA ALA A 48 -4.361 2.039 6.860 1.00 0.00 C ATOM 698 C ALA A 48 -3.928 3.356 7.496 1.00 0.00 C ATOM 699 O ALA A 48 -3.842 4.383 6.823 1.00 0.00 O ATOM 700 CB ALA A 48 -5.687 1.578 7.448 1.00 0.00 C ATOM 0 H ALA A 48 -3.693 0.135 7.428 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.489 2.206 5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.437 2.356 7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.010 0.666 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.564 1.381 8.513 1.00 0.00 H new ATOM 706 N ALA A 49 -3.657 3.319 8.796 1.00 0.00 N ATOM 707 CA ALA A 49 -3.231 4.509 9.522 1.00 0.00 C ATOM 708 C ALA A 49 -2.028 5.161 8.850 1.00 0.00 C ATOM 709 O ALA A 49 -2.047 6.353 8.542 1.00 0.00 O ATOM 710 CB ALA A 49 -2.905 4.158 10.966 1.00 0.00 C ATOM 0 H ALA A 49 -3.725 2.478 9.368 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.053 5.225 9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.588 5.056 11.496 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.791 3.745 11.449 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.102 3.421 10.989 1.00 0.00 H new ATOM 716 N ALA A 50 -0.982 4.373 8.625 1.00 0.00 N ATOM 717 CA ALA A 50 0.230 4.874 7.988 1.00 0.00 C ATOM 718 C ALA A 50 -0.105 5.763 6.795 1.00 0.00 C ATOM 719 O ALA A 50 0.333 6.910 6.722 1.00 0.00 O ATOM 720 CB ALA A 50 1.115 3.715 7.553 1.00 0.00 C ATOM 0 H ALA A 50 -0.949 3.385 8.874 1.00 0.00 H new ATOM 0 HA ALA A 50 0.772 5.477 8.717 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.016 4.103 7.079 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.391 3.121 8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.573 3.089 6.844 1.00 0.00 H new ATOM 726 N ALA A 51 -0.883 5.225 5.862 1.00 0.00 N ATOM 727 CA ALA A 51 -1.277 5.970 4.673 1.00 0.00 C ATOM 728 C ALA A 51 -1.720 7.384 5.033 1.00 0.00 C ATOM 729 O ALA A 51 -1.376 8.347 4.347 1.00 0.00 O ATOM 730 CB ALA A 51 -2.389 5.239 3.935 1.00 0.00 C ATOM 0 H ALA A 51 -1.253 4.276 5.907 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.409 6.044 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.673 5.807 3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.039 4.251 3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.253 5.134 4.591 1.00 0.00 H new ATOM 736 N SER A 52 -2.486 7.502 6.113 1.00 0.00 N ATOM 737 CA SER A 52 -2.981 8.799 6.562 1.00 0.00 C ATOM 738 C SER A 52 -1.854 9.629 7.170 1.00 0.00 C ATOM 739 O SER A 52 -1.775 10.838 6.956 1.00 0.00 O ATOM 740 CB SER A 52 -4.102 8.614 7.586 1.00 0.00 C ATOM 741 OG SER A 52 -5.025 9.688 7.530 1.00 0.00 O ATOM 0 H SER A 52 -2.777 6.716 6.693 1.00 0.00 H new ATOM 0 HA SER A 52 -3.374 9.330 5.695 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.621 7.674 7.397 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.677 8.547 8.587 1.00 0.00 H new ATOM 0 HG SER A 52 -5.599 9.585 6.742 1.00 0.00 H new ATOM 747 N GLU A 53 -0.984 8.969 7.928 1.00 0.00 N ATOM 748 CA GLU A 53 0.138 9.646 8.568 1.00 0.00 C ATOM 749 C GLU A 53 1.253 9.919 7.563 1.00 0.00 C ATOM 750 O GLU A 53 2.164 10.704 7.827 1.00 0.00 O ATOM 751 CB GLU A 53 0.676 8.805 9.728 1.00 0.00 C ATOM 752 CG GLU A 53 2.038 9.257 10.227 1.00 0.00 C ATOM 753 CD GLU A 53 2.239 8.981 11.704 1.00 0.00 C ATOM 754 OE1 GLU A 53 2.044 7.819 12.121 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.590 9.924 12.443 1.00 0.00 O ATOM 0 H GLU A 53 -1.034 7.967 8.114 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.220 10.600 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.035 8.843 10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.742 7.764 9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.816 8.749 9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.153 10.325 10.042 1.00 0.00 H new ATOM 762 N VAL A 54 1.176 9.263 6.409 1.00 0.00 N ATOM 763 CA VAL A 54 2.178 9.434 5.364 1.00 0.00 C ATOM 764 C VAL A 54 1.767 10.527 4.383 1.00 0.00 C ATOM 765 O VAL A 54 2.587 11.349 3.974 1.00 0.00 O ATOM 766 CB VAL A 54 2.409 8.123 4.588 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.227 8.383 3.333 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.090 7.092 5.475 1.00 0.00 C ATOM 0 H VAL A 54 0.430 8.608 6.175 1.00 0.00 H new ATOM 0 HA VAL A 54 3.105 9.723 5.858 1.00 0.00 H new ATOM 0 HB VAL A 54 1.441 7.724 4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.380 7.446 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.695 9.085 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.193 8.805 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.245 6.172 4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.052 7.479 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.461 6.885 6.341 1.00 0.00 H new ATOM 778 N LYS A 55 0.492 10.530 4.009 1.00 0.00 N ATOM 779 CA LYS A 55 -0.029 11.523 3.078 1.00 0.00 C ATOM 780 C LYS A 55 -0.078 12.904 3.724 1.00 0.00 C ATOM 781 O LYS A 55 0.083 13.920 3.050 1.00 0.00 O ATOM 782 CB LYS A 55 -1.427 11.121 2.602 1.00 0.00 C ATOM 783 CG LYS A 55 -2.532 11.500 3.573 1.00 0.00 C ATOM 784 CD LYS A 55 -3.908 11.235 2.984 1.00 0.00 C ATOM 785 CE LYS A 55 -4.948 12.193 3.543 1.00 0.00 C ATOM 786 NZ LYS A 55 -5.138 12.013 5.009 1.00 0.00 N ATOM 0 H LYS A 55 -0.199 9.856 4.337 1.00 0.00 H new ATOM 0 HA LYS A 55 0.642 11.567 2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.623 11.592 1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.451 10.043 2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.416 10.934 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.443 12.555 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.866 11.335 1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.205 10.208 3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.642 13.219 3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.898 12.036 3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.913 12.624 5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.372 11.020 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.262 12.270 5.507 1.00 0.00 H new ATOM 800 N GLU A 56 -0.300 12.931 5.035 1.00 0.00 N ATOM 801 CA GLU A 56 -0.369 14.187 5.771 1.00 0.00 C ATOM 802 C GLU A 56 1.010 14.833 5.877 1.00 0.00 C ATOM 803 O GLU A 56 1.139 16.055 5.827 1.00 0.00 O ATOM 804 CB GLU A 56 -0.942 13.953 7.170 1.00 0.00 C ATOM 805 CG GLU A 56 0.101 13.541 8.195 1.00 0.00 C ATOM 806 CD GLU A 56 -0.449 13.511 9.608 1.00 0.00 C ATOM 807 OE1 GLU A 56 -1.194 14.443 9.975 1.00 0.00 O ATOM 808 OE2 GLU A 56 -0.133 12.554 10.346 1.00 0.00 O ATOM 0 H GLU A 56 -0.435 12.098 5.608 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.027 14.862 5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.432 14.865 7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.709 13.181 7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.487 12.554 7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.942 14.234 8.151 1.00 0.00 H new ATOM 815 N GLN A 57 2.037 14.001 6.022 1.00 0.00 N ATOM 816 CA GLN A 57 3.406 14.490 6.136 1.00 0.00 C ATOM 817 C GLN A 57 4.008 14.747 4.758 1.00 0.00 C ATOM 818 O GLN A 57 4.658 15.768 4.533 1.00 0.00 O ATOM 819 CB GLN A 57 4.267 13.486 6.903 1.00 0.00 C ATOM 820 CG GLN A 57 3.918 13.388 8.379 1.00 0.00 C ATOM 821 CD GLN A 57 4.898 12.531 9.155 1.00 0.00 C ATOM 822 OE1 GLN A 57 5.605 13.019 10.038 1.00 0.00 O ATOM 823 NE2 GLN A 57 4.946 11.244 8.830 1.00 0.00 N ATOM 0 H GLN A 57 1.947 12.986 6.063 1.00 0.00 H new ATOM 0 HA GLN A 57 3.384 15.432 6.685 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.157 12.502 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.315 13.768 6.804 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.896 14.389 8.810 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.916 12.973 8.485 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.342 10.882 8.092 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.586 10.618 9.318 1.00 0.00 H new ATOM 832 N THR A 58 3.788 13.812 3.838 1.00 0.00 N ATOM 833 CA THR A 58 4.310 13.936 2.483 1.00 0.00 C ATOM 834 C THR A 58 3.433 14.852 1.638 1.00 0.00 C ATOM 835 O THR A 58 3.566 14.901 0.414 1.00 0.00 O ATOM 836 CB THR A 58 4.413 12.563 1.793 1.00 0.00 C ATOM 837 OG1 THR A 58 3.109 11.990 1.644 1.00 0.00 O ATOM 838 CG2 THR A 58 5.298 11.620 2.594 1.00 0.00 C ATOM 0 H THR A 58 3.252 12.961 4.007 1.00 0.00 H new ATOM 0 HA THR A 58 5.307 14.368 2.567 1.00 0.00 H new ATOM 0 HB THR A 58 4.860 12.708 0.810 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.946 11.354 2.372 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.356 10.657 2.087 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.298 12.045 2.681 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.875 11.482 3.589 1.00 0.00 H new ATOM 846 N LYS A 59 2.537 15.579 2.296 1.00 0.00 N ATOM 847 CA LYS A 59 1.639 16.497 1.606 1.00 0.00 C ATOM 848 C LYS A 59 0.873 15.779 0.499 1.00 0.00 C ATOM 849 O LYS A 59 0.450 16.396 -0.478 1.00 0.00 O ATOM 850 CB LYS A 59 2.427 17.669 1.017 1.00 0.00 C ATOM 851 CG LYS A 59 3.176 18.482 2.058 1.00 0.00 C ATOM 852 CD LYS A 59 2.285 19.542 2.684 1.00 0.00 C ATOM 853 CE LYS A 59 2.060 20.711 1.737 1.00 0.00 C ATOM 854 NZ LYS A 59 3.335 21.401 1.395 1.00 0.00 N ATOM 0 H LYS A 59 2.413 15.550 3.308 1.00 0.00 H new ATOM 0 HA LYS A 59 0.922 16.878 2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.139 17.286 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.741 18.325 0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.555 17.819 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.041 18.959 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.326 19.100 2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.740 19.902 3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.585 20.352 0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.373 21.423 2.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.225 22.425 1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.097 21.046 2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.575 21.215 0.400 1.00 0.00 H new ATOM 868 N GLY A 60 0.696 14.471 0.661 1.00 0.00 N ATOM 869 CA GLY A 60 -0.020 13.691 -0.332 1.00 0.00 C ATOM 870 C GLY A 60 0.903 13.083 -1.369 1.00 0.00 C ATOM 871 O GLY A 60 0.510 12.181 -2.109 1.00 0.00 O ATOM 0 H GLY A 60 1.035 13.938 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.575 12.896 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.752 14.327 -0.830 1.00 0.00 H new ATOM 875 N LYS A 61 2.135 13.578 -1.424 1.00 0.00 N ATOM 876 CA LYS A 61 3.119 13.078 -2.378 1.00 0.00 C ATOM 877 C LYS A 61 3.172 11.554 -2.356 1.00 0.00 C ATOM 878 O LYS A 61 2.832 10.897 -3.340 1.00 0.00 O ATOM 879 CB LYS A 61 4.502 13.653 -2.063 1.00 0.00 C ATOM 880 CG LYS A 61 5.630 12.970 -2.817 1.00 0.00 C ATOM 881 CD LYS A 61 5.447 13.088 -4.321 1.00 0.00 C ATOM 882 CE LYS A 61 6.711 12.693 -5.069 1.00 0.00 C ATOM 883 NZ LYS A 61 6.756 13.287 -6.434 1.00 0.00 N ATOM 0 H LYS A 61 2.476 14.325 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 61 2.818 13.398 -3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.507 14.716 -2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.687 13.567 -0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.583 13.415 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.672 11.918 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.621 12.452 -4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.177 14.113 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.584 13.017 -4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.765 11.607 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.728 13.587 -6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.449 12.579 -7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.122 14.111 -6.475 1.00 0.00 H new ATOM 897 N VAL A 62 3.600 10.997 -1.227 1.00 0.00 N ATOM 898 CA VAL A 62 3.696 9.550 -1.077 1.00 0.00 C ATOM 899 C VAL A 62 2.337 8.941 -0.751 1.00 0.00 C ATOM 900 O VAL A 62 1.787 9.162 0.328 1.00 0.00 O ATOM 901 CB VAL A 62 4.697 9.166 0.028 1.00 0.00 C ATOM 902 CG1 VAL A 62 4.876 7.656 0.085 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.031 9.861 -0.197 1.00 0.00 C ATOM 0 H VAL A 62 3.886 11.526 -0.403 1.00 0.00 H new ATOM 0 HA VAL A 62 4.049 9.155 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 62 4.298 9.497 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.587 7.403 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.917 7.184 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.253 7.298 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.726 9.578 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.438 9.562 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.885 10.941 -0.183 1.00 0.00 H new ATOM 913 N LYS A 63 1.799 8.172 -1.691 1.00 0.00 N ATOM 914 CA LYS A 63 0.504 7.527 -1.505 1.00 0.00 C ATOM 915 C LYS A 63 0.675 6.044 -1.191 1.00 0.00 C ATOM 916 O LYS A 63 1.584 5.391 -1.704 1.00 0.00 O ATOM 917 CB LYS A 63 -0.358 7.698 -2.758 1.00 0.00 C ATOM 918 CG LYS A 63 -0.606 9.149 -3.132 1.00 0.00 C ATOM 919 CD LYS A 63 -0.905 9.299 -4.614 1.00 0.00 C ATOM 920 CE LYS A 63 -2.358 8.974 -4.925 1.00 0.00 C ATOM 921 NZ LYS A 63 -2.810 9.610 -6.194 1.00 0.00 N ATOM 0 H LYS A 63 2.240 7.980 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 63 0.006 8.004 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.127 7.194 -3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.316 7.203 -2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.442 9.538 -2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.268 9.747 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.683 10.319 -4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.253 8.639 -5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.481 7.893 -4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.990 9.313 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.802 9.906 -6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.218 10.441 -6.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.725 8.927 -6.974 1.00 0.00 H new ATOM 935 N LEU A 64 -0.205 5.518 -0.347 1.00 0.00 N ATOM 936 CA LEU A 64 -0.153 4.111 0.035 1.00 0.00 C ATOM 937 C LEU A 64 -1.342 3.346 -0.540 1.00 0.00 C ATOM 938 O LEU A 64 -2.495 3.696 -0.292 1.00 0.00 O ATOM 939 CB LEU A 64 -0.133 3.975 1.558 1.00 0.00 C ATOM 940 CG LEU A 64 1.249 3.963 2.213 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.874 5.348 2.167 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.154 3.466 3.648 1.00 0.00 C ATOM 0 H LEU A 64 -0.964 6.045 0.086 1.00 0.00 H new ATOM 0 HA LEU A 64 0.763 3.683 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.708 4.798 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.649 3.053 1.827 1.00 0.00 H new ATOM 0 HG LEU A 64 1.889 3.280 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.857 5.320 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.978 5.666 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.236 6.053 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.146 3.464 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.498 4.124 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.750 2.454 3.656 1.00 0.00 H new ATOM 954 N ALA A 65 -1.051 2.301 -1.307 1.00 0.00 N ATOM 955 CA ALA A 65 -2.095 1.484 -1.913 1.00 0.00 C ATOM 956 C ALA A 65 -1.962 0.024 -1.495 1.00 0.00 C ATOM 957 O ALA A 65 -0.916 -0.397 -1.002 1.00 0.00 O ATOM 958 CB ALA A 65 -2.050 1.608 -3.429 1.00 0.00 C ATOM 0 H ALA A 65 -0.101 2.000 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.059 1.849 -1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.835 0.992 -3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.203 2.649 -3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.079 1.271 -3.793 1.00 0.00 H new ATOM 964 N ALA A 66 -3.028 -0.744 -1.696 1.00 0.00 N ATOM 965 CA ALA A 66 -3.029 -2.158 -1.342 1.00 0.00 C ATOM 966 C ALA A 66 -3.501 -3.016 -2.510 1.00 0.00 C ATOM 967 O ALA A 66 -4.264 -2.559 -3.361 1.00 0.00 O ATOM 968 CB ALA A 66 -3.906 -2.395 -0.121 1.00 0.00 C ATOM 0 H ALA A 66 -3.902 -0.410 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.006 -2.449 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.898 -3.455 0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.522 -1.818 0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.927 -2.082 -0.340 1.00 0.00 H new ATOM 974 N VAL A 67 -3.042 -4.263 -2.546 1.00 0.00 N ATOM 975 CA VAL A 67 -3.418 -5.186 -3.610 1.00 0.00 C ATOM 976 C VAL A 67 -3.662 -6.587 -3.061 1.00 0.00 C ATOM 977 O VAL A 67 -2.952 -7.048 -2.168 1.00 0.00 O ATOM 978 CB VAL A 67 -2.333 -5.256 -4.701 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.754 -6.205 -5.813 1.00 0.00 C ATOM 980 CG2 VAL A 67 -2.044 -3.869 -5.254 1.00 0.00 C ATOM 0 H VAL A 67 -2.409 -4.657 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.340 -4.805 -4.049 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.417 -5.642 -4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.975 -6.241 -6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.906 -7.203 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.683 -5.852 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.275 -3.937 -6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.954 -3.453 -5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.695 -3.222 -4.449 1.00 0.00 H new ATOM 990 N ASP A 68 -4.672 -7.261 -3.602 1.00 0.00 N ATOM 991 CA ASP A 68 -5.010 -8.611 -3.168 1.00 0.00 C ATOM 992 C ASP A 68 -4.325 -9.652 -4.048 1.00 0.00 C ATOM 993 O ASP A 68 -4.836 -10.019 -5.105 1.00 0.00 O ATOM 994 CB ASP A 68 -6.525 -8.816 -3.200 1.00 0.00 C ATOM 995 CG ASP A 68 -7.257 -7.870 -2.268 1.00 0.00 C ATOM 996 OD1 ASP A 68 -6.833 -6.701 -2.155 1.00 0.00 O ATOM 997 OD2 ASP A 68 -8.255 -8.299 -1.652 1.00 0.00 O ATOM 0 H ASP A 68 -5.270 -6.894 -4.342 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.656 -8.736 -2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.887 -8.671 -4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.755 -9.845 -2.923 1.00 0.00 H new ATOM 1002 N ALA A 69 -3.165 -10.124 -3.603 1.00 0.00 N ATOM 1003 CA ALA A 69 -2.410 -11.123 -4.349 1.00 0.00 C ATOM 1004 C ALA A 69 -3.296 -12.301 -4.740 1.00 0.00 C ATOM 1005 O ALA A 69 -2.954 -13.081 -5.630 1.00 0.00 O ATOM 1006 CB ALA A 69 -1.220 -11.604 -3.532 1.00 0.00 C ATOM 0 H ALA A 69 -2.728 -9.830 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.044 -10.657 -5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.665 -12.350 -4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.568 -10.760 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.573 -12.047 -2.601 1.00 0.00 H new ATOM 1012 N THR A 70 -4.438 -12.425 -4.070 1.00 0.00 N ATOM 1013 CA THR A 70 -5.372 -13.509 -4.346 1.00 0.00 C ATOM 1014 C THR A 70 -6.007 -13.351 -5.723 1.00 0.00 C ATOM 1015 O THR A 70 -6.306 -14.336 -6.397 1.00 0.00 O ATOM 1016 CB THR A 70 -6.486 -13.575 -3.284 1.00 0.00 C ATOM 1017 OG1 THR A 70 -7.277 -12.382 -3.330 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.897 -13.746 -1.892 1.00 0.00 C ATOM 0 H THR A 70 -4.738 -11.788 -3.332 1.00 0.00 H new ATOM 0 HA THR A 70 -4.798 -14.435 -4.318 1.00 0.00 H new ATOM 0 HB THR A 70 -7.116 -14.437 -3.503 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.984 -12.432 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.703 -13.790 -1.159 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.319 -14.669 -1.852 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.246 -12.901 -1.666 1.00 0.00 H new ATOM 1026 N VAL A 71 -6.209 -12.103 -6.136 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.807 -11.815 -7.434 1.00 0.00 C ATOM 1028 C VAL A 71 -5.778 -11.232 -8.396 1.00 0.00 C ATOM 1029 O VAL A 71 -5.824 -11.486 -9.599 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.986 -10.833 -7.304 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -7.479 -9.412 -7.114 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.894 -10.926 -8.521 1.00 0.00 C ATOM 0 H VAL A 71 -5.967 -11.276 -5.590 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.175 -12.762 -7.830 1.00 0.00 H new ATOM 0 HB VAL A 71 -8.568 -11.106 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.326 -8.732 -7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.874 -9.360 -6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.873 -9.124 -7.973 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.722 -10.225 -8.412 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.326 -10.680 -9.418 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.286 -11.940 -8.606 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.850 -10.448 -7.857 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.808 -9.828 -8.668 1.00 0.00 C ATOM 1044 C ASN A 72 -2.681 -10.816 -8.954 1.00 0.00 C ATOM 1045 O ASN A 72 -1.910 -11.167 -8.062 1.00 0.00 O ATOM 1046 CB ASN A 72 -3.250 -8.592 -7.959 1.00 0.00 C ATOM 1047 CG ASN A 72 -4.019 -7.332 -8.305 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.547 -6.494 -9.073 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -5.211 -7.192 -7.736 1.00 0.00 N ATOM 0 H ASN A 72 -4.798 -10.227 -6.863 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.252 -9.526 -9.617 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.282 -8.749 -6.881 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.203 -8.462 -8.231 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.775 -6.364 -7.930 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.563 -7.912 -7.105 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.594 -11.259 -10.204 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.562 -12.207 -10.608 1.00 0.00 C ATOM 1058 C GLN A 73 -0.557 -11.549 -11.547 1.00 0.00 C ATOM 1059 O GLN A 73 0.647 -11.792 -11.455 1.00 0.00 O ATOM 1060 CB GLN A 73 -2.193 -13.423 -11.288 1.00 0.00 C ATOM 1061 CG GLN A 73 -3.146 -14.196 -10.390 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.430 -15.199 -9.507 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.420 -15.782 -9.903 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -2.950 -15.405 -8.303 1.00 0.00 N ATOM 0 H GLN A 73 -3.225 -10.977 -10.954 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.035 -12.535 -9.712 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.731 -13.093 -12.177 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.401 -14.092 -11.625 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.698 -13.495 -9.764 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.878 -14.718 -11.007 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.788 -14.900 -8.016 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.511 -16.068 -7.665 1.00 0.00 H new ATOM 1073 N VAL A 74 -1.058 -10.714 -12.452 1.00 0.00 N ATOM 1074 CA VAL A 74 -0.204 -10.020 -13.409 1.00 0.00 C ATOM 1075 C VAL A 74 0.962 -9.333 -12.707 1.00 0.00 C ATOM 1076 O VAL A 74 2.085 -9.320 -13.212 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.997 -8.971 -14.211 1.00 0.00 C ATOM 1078 CG1 VAL A 74 -0.102 -8.298 -15.241 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -2.204 -9.613 -14.879 1.00 0.00 C ATOM 0 H VAL A 74 -2.052 -10.502 -12.543 1.00 0.00 H new ATOM 0 HA VAL A 74 0.182 -10.774 -14.095 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.356 -8.206 -13.522 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.679 -7.560 -15.798 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.727 -7.803 -14.735 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.288 -9.048 -15.929 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.753 -8.858 -15.441 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.870 -10.399 -15.557 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.855 -10.043 -14.118 1.00 0.00 H new ATOM 1089 N LEU A 75 0.688 -8.762 -11.539 1.00 0.00 N ATOM 1090 CA LEU A 75 1.714 -8.072 -10.765 1.00 0.00 C ATOM 1091 C LEU A 75 2.425 -9.036 -9.822 1.00 0.00 C ATOM 1092 O LEU A 75 3.651 -9.143 -9.836 1.00 0.00 O ATOM 1093 CB LEU A 75 1.094 -6.924 -9.967 1.00 0.00 C ATOM 1094 CG LEU A 75 0.140 -6.010 -10.737 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.652 -5.135 -9.778 1.00 0.00 C ATOM 1096 CD2 LEU A 75 0.909 -5.153 -11.733 1.00 0.00 C ATOM 0 H LEU A 75 -0.236 -8.763 -11.107 1.00 0.00 H new ATOM 0 HA LEU A 75 2.448 -7.667 -11.462 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.555 -7.347 -9.119 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.900 -6.314 -9.560 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.562 -6.634 -11.291 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.325 -4.492 -10.344 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.233 -5.766 -9.105 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.034 -4.520 -9.196 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.214 -4.509 -12.272 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.634 -4.538 -11.200 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.430 -5.797 -12.441 1.00 0.00 H new ATOM 1108 N ALA A 76 1.647 -9.738 -9.004 1.00 0.00 N ATOM 1109 CA ALA A 76 2.202 -10.696 -8.056 1.00 0.00 C ATOM 1110 C ALA A 76 3.298 -11.536 -8.703 1.00 0.00 C ATOM 1111 O ALA A 76 4.355 -11.757 -8.111 1.00 0.00 O ATOM 1112 CB ALA A 76 1.102 -11.594 -7.508 1.00 0.00 C ATOM 0 H ALA A 76 0.630 -9.661 -8.979 1.00 0.00 H new ATOM 0 HA ALA A 76 2.646 -10.138 -7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.531 -12.305 -6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.354 -10.985 -7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.633 -12.137 -8.329 1.00 0.00 H new ATOM 1118 N SER A 77 3.040 -12.001 -9.921 1.00 0.00 N ATOM 1119 CA SER A 77 4.004 -12.820 -10.647 1.00 0.00 C ATOM 1120 C SER A 77 5.158 -11.968 -11.168 1.00 0.00 C ATOM 1121 O SER A 77 6.322 -12.358 -11.077 1.00 0.00 O ATOM 1122 CB SER A 77 3.320 -13.539 -11.811 1.00 0.00 C ATOM 1123 OG SER A 77 4.161 -14.542 -12.356 1.00 0.00 O ATOM 0 H SER A 77 2.172 -11.825 -10.426 1.00 0.00 H new ATOM 0 HA SER A 77 4.406 -13.562 -9.957 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.388 -13.988 -11.468 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.060 -12.818 -12.586 1.00 0.00 H new ATOM 0 HG SER A 77 3.700 -14.988 -13.097 1.00 0.00 H new ATOM 1129 N ARG A 78 4.825 -10.803 -11.714 1.00 0.00 N ATOM 1130 CA ARG A 78 5.832 -9.896 -12.251 1.00 0.00 C ATOM 1131 C ARG A 78 7.047 -9.826 -11.331 1.00 0.00 C ATOM 1132 O ARG A 78 8.186 -9.957 -11.780 1.00 0.00 O ATOM 1133 CB ARG A 78 5.241 -8.498 -12.439 1.00 0.00 C ATOM 1134 CG ARG A 78 6.141 -7.556 -13.223 1.00 0.00 C ATOM 1135 CD ARG A 78 5.799 -6.100 -12.947 1.00 0.00 C ATOM 1136 NE ARG A 78 6.952 -5.223 -13.129 1.00 0.00 N ATOM 1137 CZ ARG A 78 7.347 -4.764 -14.311 1.00 0.00 C ATOM 1138 NH1 ARG A 78 6.685 -5.097 -15.410 1.00 0.00 N ATOM 1139 NH2 ARG A 78 8.407 -3.970 -14.395 1.00 0.00 N ATOM 0 H ARG A 78 3.866 -10.465 -11.796 1.00 0.00 H new ATOM 0 HA ARG A 78 6.152 -10.281 -13.219 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.284 -8.584 -12.953 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.039 -8.063 -11.460 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.182 -7.743 -12.960 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.041 -7.759 -14.289 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.995 -5.784 -13.612 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.427 -6.002 -11.927 1.00 0.00 H new ATOM 0 HE ARG A 78 7.483 -4.948 -12.303 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.870 -5.707 -15.349 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.991 -4.743 -16.316 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.919 -3.712 -13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.710 -3.618 -15.303 1.00 0.00 H new ATOM 1153 N TYR A 79 6.797 -9.620 -10.043 1.00 0.00 N ATOM 1154 CA TYR A 79 7.870 -9.530 -9.061 1.00 0.00 C ATOM 1155 C TYR A 79 8.006 -10.835 -8.282 1.00 0.00 C ATOM 1156 O TYR A 79 9.059 -11.127 -7.717 1.00 0.00 O ATOM 1157 CB TYR A 79 7.611 -8.372 -8.095 1.00 0.00 C ATOM 1158 CG TYR A 79 7.162 -7.101 -8.781 1.00 0.00 C ATOM 1159 CD1 TYR A 79 8.088 -6.173 -9.241 1.00 0.00 C ATOM 1160 CD2 TYR A 79 5.813 -6.828 -8.968 1.00 0.00 C ATOM 1161 CE1 TYR A 79 7.683 -5.010 -9.868 1.00 0.00 C ATOM 1162 CE2 TYR A 79 5.399 -5.669 -9.595 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.338 -4.763 -10.042 1.00 0.00 C ATOM 1164 OH TYR A 79 5.929 -3.606 -10.666 1.00 0.00 O ATOM 0 H TYR A 79 5.860 -9.512 -9.655 1.00 0.00 H new ATOM 0 HA TYR A 79 8.802 -9.347 -9.595 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.851 -8.674 -7.374 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.522 -8.169 -7.532 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.142 -6.364 -9.106 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.075 -7.534 -8.617 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.416 -4.299 -10.220 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.346 -5.473 -9.734 1.00 0.00 H new ATOM 0 HH TYR A 79 6.014 -2.852 -10.046 1.00 0.00 H new ATOM 1174 N GLY A 80 6.932 -11.618 -8.259 1.00 0.00 N ATOM 1175 CA GLY A 80 6.951 -12.883 -7.548 1.00 0.00 C ATOM 1176 C GLY A 80 6.654 -12.722 -6.070 1.00 0.00 C ATOM 1177 O GLY A 80 7.551 -12.841 -5.234 1.00 0.00 O ATOM 0 H GLY A 80 6.049 -11.399 -8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.218 -13.557 -7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.928 -13.350 -7.670 1.00 0.00 H new ATOM 1181 N ILE A 81 5.395 -12.449 -5.747 1.00 0.00 N ATOM 1182 CA ILE A 81 4.983 -12.272 -4.360 1.00 0.00 C ATOM 1183 C ILE A 81 4.379 -13.553 -3.797 1.00 0.00 C ATOM 1184 O ILE A 81 3.209 -13.855 -4.032 1.00 0.00 O ATOM 1185 CB ILE A 81 3.960 -11.129 -4.219 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.473 -9.867 -4.914 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.674 -10.853 -2.750 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.645 -9.222 -4.208 1.00 0.00 C ATOM 0 H ILE A 81 4.642 -12.345 -6.427 1.00 0.00 H new ATOM 0 HA ILE A 81 5.880 -12.018 -3.794 1.00 0.00 H new ATOM 0 HB ILE A 81 3.030 -11.432 -4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.766 -10.117 -5.933 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.660 -9.145 -4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.949 -10.043 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.270 -11.751 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.598 -10.567 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.956 -8.333 -4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.350 -8.940 -3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.474 -9.928 -4.161 1.00 0.00 H new ATOM 1200 N ARG A 82 5.184 -14.303 -3.052 1.00 0.00 N ATOM 1201 CA ARG A 82 4.728 -15.553 -2.455 1.00 0.00 C ATOM 1202 C ARG A 82 4.924 -15.535 -0.941 1.00 0.00 C ATOM 1203 O ARG A 82 5.226 -16.560 -0.332 1.00 0.00 O ATOM 1204 CB ARG A 82 5.480 -16.738 -3.063 1.00 0.00 C ATOM 1205 CG ARG A 82 4.791 -17.338 -4.277 1.00 0.00 C ATOM 1206 CD ARG A 82 5.706 -18.301 -5.018 1.00 0.00 C ATOM 1207 NE ARG A 82 5.414 -18.343 -6.448 1.00 0.00 N ATOM 1208 CZ ARG A 82 5.691 -19.384 -7.224 1.00 0.00 C ATOM 1209 NH1 ARG A 82 6.262 -20.465 -6.711 1.00 0.00 N ATOM 1210 NH2 ARG A 82 5.395 -19.347 -8.517 1.00 0.00 N ATOM 0 H ARG A 82 6.155 -14.067 -2.847 1.00 0.00 H new ATOM 0 HA ARG A 82 3.664 -15.660 -2.666 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.482 -16.415 -3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.598 -17.511 -2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.888 -17.862 -3.963 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.479 -16.540 -4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.744 -18.002 -4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.598 -19.300 -4.597 1.00 0.00 H new ATOM 0 HE ARG A 82 4.973 -17.528 -6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.490 -20.499 -5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.473 -21.263 -7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.954 -18.518 -8.916 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.608 -20.147 -9.112 1.00 0.00 H new ATOM 1224 N GLY A 83 4.749 -14.361 -0.341 1.00 0.00 N ATOM 1225 CA GLY A 83 4.911 -14.232 1.096 1.00 0.00 C ATOM 1226 C GLY A 83 4.378 -12.915 1.623 1.00 0.00 C ATOM 1227 O GLY A 83 5.112 -11.931 1.714 1.00 0.00 O ATOM 0 H GLY A 83 4.498 -13.498 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.395 -15.054 1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.968 -14.320 1.349 1.00 0.00 H new ATOM 1231 N PHE A 84 3.095 -12.894 1.970 1.00 0.00 N ATOM 1232 CA PHE A 84 2.463 -11.686 2.488 1.00 0.00 C ATOM 1233 C PHE A 84 2.537 -11.645 4.012 1.00 0.00 C ATOM 1234 O PHE A 84 2.626 -12.673 4.682 1.00 0.00 O ATOM 1235 CB PHE A 84 1.003 -11.615 2.035 1.00 0.00 C ATOM 1236 CG PHE A 84 0.746 -12.310 0.728 1.00 0.00 C ATOM 1237 CD1 PHE A 84 1.561 -12.075 -0.368 1.00 0.00 C ATOM 1238 CD2 PHE A 84 -0.309 -13.197 0.596 1.00 0.00 C ATOM 1239 CE1 PHE A 84 1.326 -12.713 -1.571 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.549 -13.838 -0.605 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.271 -13.596 -1.690 1.00 0.00 C ATOM 0 H PHE A 84 2.473 -13.699 1.902 1.00 0.00 H new ATOM 0 HA PHE A 84 3.001 -10.825 2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.370 -12.059 2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.709 -10.569 1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.388 -11.386 -0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.952 -13.390 1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.968 -12.521 -2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.376 -14.527 -0.695 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.087 -14.096 -2.629 1.00 0.00 H new ATOM 1251 N PRO A 85 2.500 -10.427 4.572 1.00 0.00 N ATOM 1252 CA PRO A 85 2.394 -9.195 3.784 1.00 0.00 C ATOM 1253 C PRO A 85 3.666 -8.901 2.995 1.00 0.00 C ATOM 1254 O PRO A 85 4.739 -9.415 3.313 1.00 0.00 O ATOM 1255 CB PRO A 85 2.159 -8.115 4.843 1.00 0.00 C ATOM 1256 CG PRO A 85 2.760 -8.670 6.089 1.00 0.00 C ATOM 1257 CD PRO A 85 2.558 -10.158 6.019 1.00 0.00 C ATOM 0 HA PRO A 85 1.603 -9.256 3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.631 -7.174 4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.096 -7.912 4.972 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.820 -8.423 6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.280 -8.252 6.974 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.377 -10.697 6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.640 -10.463 6.522 1.00 0.00 H new ATOM 1265 N THR A 86 3.539 -8.071 1.965 1.00 0.00 N ATOM 1266 CA THR A 86 4.677 -7.708 1.131 1.00 0.00 C ATOM 1267 C THR A 86 4.640 -6.230 0.761 1.00 0.00 C ATOM 1268 O THR A 86 3.838 -5.809 -0.073 1.00 0.00 O ATOM 1269 CB THR A 86 4.717 -8.547 -0.160 1.00 0.00 C ATOM 1270 OG1 THR A 86 4.700 -9.943 0.161 1.00 0.00 O ATOM 1271 CG2 THR A 86 5.960 -8.225 -0.977 1.00 0.00 C ATOM 0 H THR A 86 2.658 -7.637 1.688 1.00 0.00 H new ATOM 0 HA THR A 86 5.574 -7.910 1.716 1.00 0.00 H new ATOM 0 HB THR A 86 3.837 -8.300 -0.754 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.093 -10.079 1.048 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.966 -8.830 -1.884 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.955 -7.169 -1.245 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.850 -8.446 -0.388 1.00 0.00 H new ATOM 1279 N ILE A 87 5.512 -5.446 1.387 1.00 0.00 N ATOM 1280 CA ILE A 87 5.579 -4.015 1.122 1.00 0.00 C ATOM 1281 C ILE A 87 6.699 -3.690 0.139 1.00 0.00 C ATOM 1282 O ILE A 87 7.876 -3.909 0.426 1.00 0.00 O ATOM 1283 CB ILE A 87 5.800 -3.212 2.417 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.645 -3.448 3.393 1.00 0.00 C ATOM 1285 CG2 ILE A 87 5.942 -1.730 2.105 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.022 -3.224 4.841 1.00 0.00 C ATOM 0 H ILE A 87 6.182 -5.778 2.081 1.00 0.00 H new ATOM 0 HA ILE A 87 4.621 -3.730 0.686 1.00 0.00 H new ATOM 0 HB ILE A 87 6.723 -3.554 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.820 -2.785 3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.282 -4.469 3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.098 -1.177 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.795 -1.578 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.035 -1.373 1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.155 -3.409 5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.826 -3.906 5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.356 -2.195 4.975 1.00 0.00 H new ATOM 1298 N LYS A 88 6.324 -3.163 -1.023 1.00 0.00 N ATOM 1299 CA LYS A 88 7.296 -2.804 -2.049 1.00 0.00 C ATOM 1300 C LYS A 88 7.103 -1.359 -2.498 1.00 0.00 C ATOM 1301 O LYS A 88 5.992 -0.945 -2.830 1.00 0.00 O ATOM 1302 CB LYS A 88 7.170 -3.744 -3.250 1.00 0.00 C ATOM 1303 CG LYS A 88 7.308 -5.213 -2.890 1.00 0.00 C ATOM 1304 CD LYS A 88 8.756 -5.669 -2.953 1.00 0.00 C ATOM 1305 CE LYS A 88 8.858 -7.156 -3.260 1.00 0.00 C ATOM 1306 NZ LYS A 88 10.226 -7.683 -2.997 1.00 0.00 N ATOM 0 H LYS A 88 5.354 -2.975 -1.277 1.00 0.00 H new ATOM 0 HA LYS A 88 8.294 -2.903 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.202 -3.585 -3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.933 -3.485 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.916 -5.381 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.706 -5.814 -3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.285 -5.101 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.247 -5.458 -2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.135 -7.703 -2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.596 -7.330 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.251 -8.702 -3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.911 -7.191 -3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.473 -7.524 -1.999 1.00 0.00 H new ATOM 1320 N ILE A 89 8.192 -0.597 -2.508 1.00 0.00 N ATOM 1321 CA ILE A 89 8.142 0.800 -2.919 1.00 0.00 C ATOM 1322 C ILE A 89 8.526 0.955 -4.387 1.00 0.00 C ATOM 1323 O ILE A 89 9.455 0.307 -4.868 1.00 0.00 O ATOM 1324 CB ILE A 89 9.075 1.674 -2.060 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.585 1.712 -0.612 1.00 0.00 C ATOM 1326 CG2 ILE A 89 9.160 3.080 -2.634 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.171 0.618 0.254 1.00 0.00 C ATOM 0 H ILE A 89 9.119 -0.924 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 89 7.114 1.134 -2.778 1.00 0.00 H new ATOM 0 HB ILE A 89 10.073 1.236 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 89 8.834 2.680 -0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.498 1.629 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.823 3.686 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.552 3.035 -3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.166 3.528 -2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.779 0.707 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.900 -0.355 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.257 0.713 0.275 1.00 0.00 H new ATOM 1339 N PHE A 90 7.807 1.821 -5.093 1.00 0.00 N ATOM 1340 CA PHE A 90 8.073 2.063 -6.506 1.00 0.00 C ATOM 1341 C PHE A 90 8.298 3.549 -6.770 1.00 0.00 C ATOM 1342 O PHE A 90 7.464 4.385 -6.425 1.00 0.00 O ATOM 1343 CB PHE A 90 6.911 1.552 -7.360 1.00 0.00 C ATOM 1344 CG PHE A 90 6.727 0.063 -7.294 1.00 0.00 C ATOM 1345 CD1 PHE A 90 6.066 -0.520 -6.224 1.00 0.00 C ATOM 1346 CD2 PHE A 90 7.215 -0.754 -8.300 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.895 -1.890 -6.160 1.00 0.00 C ATOM 1348 CE2 PHE A 90 7.047 -2.125 -8.242 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.387 -2.693 -7.170 1.00 0.00 C ATOM 0 H PHE A 90 7.035 2.367 -4.710 1.00 0.00 H new ATOM 0 HA PHE A 90 8.980 1.522 -6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.991 2.038 -7.036 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.077 1.844 -8.397 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.680 0.104 -5.431 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.733 -0.315 -9.140 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.377 -2.332 -5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.431 -2.751 -9.034 1.00 0.00 H new ATOM 0 HZ PHE A 90 6.256 -3.764 -7.122 1.00 0.00 H new ATOM 1359 N GLN A 91 9.433 3.869 -7.385 1.00 0.00 N ATOM 1360 CA GLN A 91 9.769 5.253 -7.694 1.00 0.00 C ATOM 1361 C GLN A 91 9.851 5.470 -9.202 1.00 0.00 C ATOM 1362 O GLN A 91 10.335 4.609 -9.938 1.00 0.00 O ATOM 1363 CB GLN A 91 11.097 5.637 -7.039 1.00 0.00 C ATOM 1364 CG GLN A 91 11.030 5.702 -5.522 1.00 0.00 C ATOM 1365 CD GLN A 91 12.303 6.246 -4.904 1.00 0.00 C ATOM 1366 OE1 GLN A 91 12.974 7.100 -5.487 1.00 0.00 O ATOM 1367 NE2 GLN A 91 12.644 5.755 -3.719 1.00 0.00 N ATOM 0 H GLN A 91 10.134 3.189 -7.678 1.00 0.00 H new ATOM 0 HA GLN A 91 8.979 5.889 -7.296 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.859 4.914 -7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 91 11.415 6.607 -7.422 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.190 6.330 -5.226 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.837 4.704 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.059 5.049 -3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.491 6.084 -3.255 1.00 0.00 H new ATOM 1376 N LYS A 92 9.375 6.624 -9.656 1.00 0.00 N ATOM 1377 CA LYS A 92 9.395 6.955 -11.076 1.00 0.00 C ATOM 1378 C LYS A 92 10.827 7.099 -11.581 1.00 0.00 C ATOM 1379 O LYS A 92 11.574 7.963 -11.123 1.00 0.00 O ATOM 1380 CB LYS A 92 8.622 8.251 -11.329 1.00 0.00 C ATOM 1381 CG LYS A 92 8.758 8.773 -12.749 1.00 0.00 C ATOM 1382 CD LYS A 92 7.672 8.216 -13.654 1.00 0.00 C ATOM 1383 CE LYS A 92 8.110 6.918 -14.316 1.00 0.00 C ATOM 1384 NZ LYS A 92 9.040 7.161 -15.453 1.00 0.00 N ATOM 0 H LYS A 92 8.970 7.347 -9.061 1.00 0.00 H new ATOM 0 HA LYS A 92 8.916 6.141 -11.620 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.567 8.083 -11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.973 9.015 -10.635 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.706 9.862 -12.744 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.737 8.503 -13.145 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.766 8.042 -13.073 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.423 8.950 -14.420 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.597 6.281 -13.578 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.233 6.379 -14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.248 6.260 -15.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.598 7.817 -16.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.924 7.576 -15.096 1.00 0.00 H new ATOM 1398 N GLY A 93 11.204 6.246 -12.529 1.00 0.00 N ATOM 1399 CA GLY A 93 12.545 6.296 -13.082 1.00 0.00 C ATOM 1400 C GLY A 93 13.494 5.341 -12.386 1.00 0.00 C ATOM 1401 O GLY A 93 14.214 4.586 -13.039 1.00 0.00 O ATOM 0 H GLY A 93 10.605 5.521 -12.924 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.506 6.055 -14.144 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.931 7.312 -13.000 1.00 0.00 H new ATOM 1405 N GLU A 94 13.497 5.375 -11.057 1.00 0.00 N ATOM 1406 CA GLU A 94 14.368 4.507 -10.274 1.00 0.00 C ATOM 1407 C GLU A 94 13.752 3.120 -10.113 1.00 0.00 C ATOM 1408 O GLU A 94 12.548 2.939 -10.295 1.00 0.00 O ATOM 1409 CB GLU A 94 14.634 5.121 -8.898 1.00 0.00 C ATOM 1410 CG GLU A 94 15.276 6.496 -8.959 1.00 0.00 C ATOM 1411 CD GLU A 94 14.260 7.608 -9.130 1.00 0.00 C ATOM 1412 OE1 GLU A 94 13.514 7.885 -8.167 1.00 0.00 O ATOM 1413 OE2 GLU A 94 14.210 8.202 -10.228 1.00 0.00 O ATOM 0 H GLU A 94 12.907 5.994 -10.501 1.00 0.00 H new ATOM 0 HA GLU A 94 15.313 4.407 -10.808 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.693 5.193 -8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.281 4.452 -8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.846 6.667 -8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.984 6.526 -9.787 1.00 0.00 H new ATOM 1420 N SER A 95 14.587 2.144 -9.771 1.00 0.00 N ATOM 1421 CA SER A 95 14.126 0.772 -9.590 1.00 0.00 C ATOM 1422 C SER A 95 13.391 0.617 -8.263 1.00 0.00 C ATOM 1423 O SER A 95 13.632 1.347 -7.301 1.00 0.00 O ATOM 1424 CB SER A 95 15.308 -0.197 -9.648 1.00 0.00 C ATOM 1425 OG SER A 95 16.230 0.059 -8.602 1.00 0.00 O ATOM 0 H SER A 95 15.586 2.278 -9.614 1.00 0.00 H new ATOM 0 HA SER A 95 13.433 0.538 -10.398 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.946 -1.222 -9.575 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.811 -0.105 -10.611 1.00 0.00 H new ATOM 0 HG SER A 95 16.975 -0.575 -8.660 1.00 0.00 H new ATOM 1431 N PRO A 96 12.471 -0.358 -8.207 1.00 0.00 N ATOM 1432 CA PRO A 96 11.681 -0.634 -7.004 1.00 0.00 C ATOM 1433 C PRO A 96 12.524 -1.231 -5.882 1.00 0.00 C ATOM 1434 O PRO A 96 13.468 -1.979 -6.132 1.00 0.00 O ATOM 1435 CB PRO A 96 10.639 -1.646 -7.487 1.00 0.00 C ATOM 1436 CG PRO A 96 11.274 -2.312 -8.659 1.00 0.00 C ATOM 1437 CD PRO A 96 12.131 -1.266 -9.316 1.00 0.00 C ATOM 0 HA PRO A 96 11.249 0.274 -6.583 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.395 -2.366 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.708 -1.153 -7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.873 -3.166 -8.345 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.520 -2.689 -9.350 1.00 0.00 H new ATOM 0 HD2 PRO A 96 13.023 -1.702 -9.766 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.594 -0.747 -10.110 1.00 0.00 H new ATOM 1445 N VAL A 97 12.175 -0.895 -4.643 1.00 0.00 N ATOM 1446 CA VAL A 97 12.899 -1.400 -3.482 1.00 0.00 C ATOM 1447 C VAL A 97 11.992 -2.243 -2.594 1.00 0.00 C ATOM 1448 O VAL A 97 10.804 -1.954 -2.449 1.00 0.00 O ATOM 1449 CB VAL A 97 13.492 -0.250 -2.647 1.00 0.00 C ATOM 1450 CG1 VAL A 97 14.601 0.452 -3.417 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.403 0.734 -2.248 1.00 0.00 C ATOM 0 H VAL A 97 11.396 -0.276 -4.418 1.00 0.00 H new ATOM 0 HA VAL A 97 13.711 -2.021 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 97 13.923 -0.668 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.008 1.262 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.392 -0.262 -3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.198 0.860 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.839 1.540 -1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.941 1.149 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.647 0.219 -1.655 1.00 0.00 H new ATOM 1461 N ASP A 98 12.559 -3.288 -2.000 1.00 0.00 N ATOM 1462 CA ASP A 98 11.802 -4.173 -1.123 1.00 0.00 C ATOM 1463 C ASP A 98 11.882 -3.702 0.325 1.00 0.00 C ATOM 1464 O ASP A 98 12.938 -3.772 0.954 1.00 0.00 O ATOM 1465 CB ASP A 98 12.325 -5.606 -1.236 1.00 0.00 C ATOM 1466 CG ASP A 98 11.933 -6.461 -0.047 1.00 0.00 C ATOM 1467 OD1 ASP A 98 10.717 -6.647 0.175 1.00 0.00 O ATOM 1468 OD2 ASP A 98 12.840 -6.945 0.661 1.00 0.00 O ATOM 0 H ASP A 98 13.541 -3.543 -2.110 1.00 0.00 H new ATOM 0 HA ASP A 98 10.758 -4.149 -1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.939 -6.060 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.411 -5.587 -1.324 1.00 0.00 H new ATOM 1473 N TYR A 99 10.759 -3.222 0.848 1.00 0.00 N ATOM 1474 CA TYR A 99 10.703 -2.735 2.222 1.00 0.00 C ATOM 1475 C TYR A 99 11.028 -3.852 3.209 1.00 0.00 C ATOM 1476 O TYR A 99 10.660 -5.008 2.999 1.00 0.00 O ATOM 1477 CB TYR A 99 9.319 -2.159 2.524 1.00 0.00 C ATOM 1478 CG TYR A 99 9.247 -1.413 3.837 1.00 0.00 C ATOM 1479 CD1 TYR A 99 9.953 -0.231 4.027 1.00 0.00 C ATOM 1480 CD2 TYR A 99 8.475 -1.890 4.889 1.00 0.00 C ATOM 1481 CE1 TYR A 99 9.892 0.453 5.225 1.00 0.00 C ATOM 1482 CE2 TYR A 99 8.406 -1.211 6.090 1.00 0.00 C ATOM 1483 CZ TYR A 99 9.116 -0.040 6.253 1.00 0.00 C ATOM 1484 OH TYR A 99 9.051 0.638 7.449 1.00 0.00 O ATOM 0 H TYR A 99 9.876 -3.160 0.342 1.00 0.00 H new ATOM 0 HA TYR A 99 11.449 -1.948 2.333 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.031 -1.485 1.717 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.592 -2.971 2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.560 0.159 3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.919 -2.808 4.766 1.00 0.00 H new ATOM 0 HE1 TYR A 99 10.449 1.369 5.356 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.799 -1.595 6.897 1.00 0.00 H new ATOM 0 HH TYR A 99 8.460 0.157 8.066 1.00 0.00 H new ATOM 1544 N THR A 104 4.750 -1.689 10.679 1.00 0.00 N ATOM 1545 CA THR A 104 3.785 -0.903 11.437 1.00 0.00 C ATOM 1546 C THR A 104 3.704 0.525 10.911 1.00 0.00 C ATOM 1547 O THR A 104 4.685 1.065 10.399 1.00 0.00 O ATOM 1548 CB THR A 104 4.144 -0.867 12.935 1.00 0.00 C ATOM 1549 OG1 THR A 104 4.843 -2.062 13.301 1.00 0.00 O ATOM 1550 CG2 THR A 104 2.893 -0.723 13.788 1.00 0.00 C ATOM 0 HA THR A 104 2.816 -1.387 11.314 1.00 0.00 H new ATOM 0 HB THR A 104 4.786 -0.004 13.111 1.00 0.00 H new ATOM 0 HG1 THR A 104 5.114 -2.543 12.492 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.172 -0.700 14.842 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.380 0.203 13.528 1.00 0.00 H new ATOM 0 HG23 THR A 104 2.230 -1.569 13.607 1.00 0.00 H new ATOM 1558 N ARG A 105 2.529 1.132 11.040 1.00 0.00 N ATOM 1559 CA ARG A 105 2.320 2.498 10.576 1.00 0.00 C ATOM 1560 C ARG A 105 3.470 3.402 11.011 1.00 0.00 C ATOM 1561 O ARG A 105 3.887 4.292 10.271 1.00 0.00 O ATOM 1562 CB ARG A 105 0.996 3.045 11.114 1.00 0.00 C ATOM 1563 CG ARG A 105 1.113 3.679 12.490 1.00 0.00 C ATOM 1564 CD ARG A 105 -0.254 4.010 13.069 1.00 0.00 C ATOM 1565 NE ARG A 105 -0.160 4.524 14.433 1.00 0.00 N ATOM 1566 CZ ARG A 105 0.052 3.755 15.495 1.00 0.00 C ATOM 1567 NH1 ARG A 105 0.193 2.445 15.352 1.00 0.00 N ATOM 1568 NH2 ARG A 105 0.124 4.297 16.704 1.00 0.00 N ATOM 0 H ARG A 105 1.707 0.699 11.462 1.00 0.00 H new ATOM 0 HA ARG A 105 2.284 2.483 9.487 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.607 3.785 10.414 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.269 2.234 11.157 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.639 3.000 13.161 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.711 4.588 12.423 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.747 4.748 12.436 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.878 3.116 13.060 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.263 5.528 14.578 1.00 0.00 H new ATOM 0 HH11 ARG A 105 0.139 2.024 14.424 1.00 0.00 H new ATOM 0 HH12 ARG A 105 0.356 1.857 16.170 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.016 5.305 16.818 1.00 0.00 H new ATOM 0 HH22 ARG A 105 0.287 3.706 17.519 1.00 0.00 H new ATOM 1582 N SER A 106 3.977 3.167 12.217 1.00 0.00 N ATOM 1583 CA SER A 106 5.076 3.962 12.753 1.00 0.00 C ATOM 1584 C SER A 106 6.292 3.897 11.833 1.00 0.00 C ATOM 1585 O SER A 106 6.821 4.926 11.413 1.00 0.00 O ATOM 1586 CB SER A 106 5.453 3.472 14.152 1.00 0.00 C ATOM 1587 OG SER A 106 4.395 3.684 15.070 1.00 0.00 O ATOM 0 H SER A 106 3.644 2.432 12.842 1.00 0.00 H new ATOM 0 HA SER A 106 4.745 4.999 12.817 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.699 2.411 14.115 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.346 3.994 14.495 1.00 0.00 H new ATOM 0 HG SER A 106 4.661 3.361 15.956 1.00 0.00 H new ATOM 1593 N ASP A 107 6.729 2.681 11.526 1.00 0.00 N ATOM 1594 CA ASP A 107 7.882 2.480 10.656 1.00 0.00 C ATOM 1595 C ASP A 107 7.534 2.813 9.208 1.00 0.00 C ATOM 1596 O ASP A 107 8.213 3.613 8.565 1.00 0.00 O ATOM 1597 CB ASP A 107 8.377 1.037 10.756 1.00 0.00 C ATOM 1598 CG ASP A 107 8.691 0.630 12.182 1.00 0.00 C ATOM 1599 OD1 ASP A 107 9.724 1.086 12.715 1.00 0.00 O ATOM 1600 OD2 ASP A 107 7.904 -0.146 12.764 1.00 0.00 O ATOM 0 H ASP A 107 6.302 1.819 11.867 1.00 0.00 H new ATOM 0 HA ASP A 107 8.676 3.151 10.984 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.620 0.367 10.349 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.270 0.919 10.143 1.00 0.00 H new ATOM 1605 N ILE A 108 6.474 2.192 8.702 1.00 0.00 N ATOM 1606 CA ILE A 108 6.037 2.423 7.331 1.00 0.00 C ATOM 1607 C ILE A 108 6.110 3.903 6.972 1.00 0.00 C ATOM 1608 O ILE A 108 6.633 4.273 5.920 1.00 0.00 O ATOM 1609 CB ILE A 108 4.598 1.922 7.107 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.523 0.408 7.312 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.117 2.297 5.713 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.142 -0.084 7.687 1.00 0.00 C ATOM 0 H ILE A 108 5.902 1.525 9.221 1.00 0.00 H new ATOM 0 HA ILE A 108 6.713 1.862 6.686 1.00 0.00 H new ATOM 0 HB ILE A 108 3.945 2.401 7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.841 -0.091 6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.227 0.120 8.093 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.099 1.936 5.570 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.137 3.381 5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.771 1.843 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.164 -1.166 7.816 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.829 0.387 8.619 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.437 0.173 6.896 1.00 0.00 H new ATOM 1624 N VAL A 109 5.584 4.747 7.853 1.00 0.00 N ATOM 1625 CA VAL A 109 5.592 6.188 7.632 1.00 0.00 C ATOM 1626 C VAL A 109 7.016 6.731 7.599 1.00 0.00 C ATOM 1627 O VAL A 109 7.388 7.471 6.688 1.00 0.00 O ATOM 1628 CB VAL A 109 4.797 6.928 8.723 1.00 0.00 C ATOM 1629 CG1 VAL A 109 4.891 8.433 8.525 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.346 6.472 8.727 1.00 0.00 C ATOM 0 H VAL A 109 5.146 4.457 8.728 1.00 0.00 H new ATOM 0 HA VAL A 109 5.117 6.362 6.666 1.00 0.00 H new ATOM 0 HB VAL A 109 5.233 6.686 9.692 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.323 8.939 9.306 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.935 8.742 8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.483 8.698 7.550 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.799 7.005 9.504 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.896 6.683 7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.302 5.401 8.923 1.00 0.00 H new ATOM 1640 N SER A 110 7.809 6.358 8.598 1.00 0.00 N ATOM 1641 CA SER A 110 9.193 6.810 8.685 1.00 0.00 C ATOM 1642 C SER A 110 9.868 6.758 7.319 1.00 0.00 C ATOM 1643 O SER A 110 10.515 7.718 6.897 1.00 0.00 O ATOM 1644 CB SER A 110 9.970 5.950 9.684 1.00 0.00 C ATOM 1645 OG SER A 110 11.154 6.605 10.107 1.00 0.00 O ATOM 0 H SER A 110 7.517 5.744 9.359 1.00 0.00 H new ATOM 0 HA SER A 110 9.191 7.844 9.030 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.342 5.733 10.548 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.223 4.994 9.226 1.00 0.00 H new ATOM 0 HG SER A 110 11.632 6.036 10.746 1.00 0.00 H new ATOM 1651 N ARG A 111 9.714 5.632 6.631 1.00 0.00 N ATOM 1652 CA ARG A 111 10.310 5.453 5.313 1.00 0.00 C ATOM 1653 C ARG A 111 9.745 6.465 4.320 1.00 0.00 C ATOM 1654 O ARG A 111 10.472 7.310 3.798 1.00 0.00 O ATOM 1655 CB ARG A 111 10.061 4.031 4.805 1.00 0.00 C ATOM 1656 CG ARG A 111 11.056 3.580 3.748 1.00 0.00 C ATOM 1657 CD ARG A 111 12.474 3.546 4.295 1.00 0.00 C ATOM 1658 NE ARG A 111 12.580 2.714 5.491 1.00 0.00 N ATOM 1659 CZ ARG A 111 13.715 2.163 5.904 1.00 0.00 C ATOM 1660 NH1 ARG A 111 14.836 2.354 5.222 1.00 0.00 N ATOM 1661 NH2 ARG A 111 13.732 1.418 7.003 1.00 0.00 N ATOM 0 H ARG A 111 9.181 4.829 6.965 1.00 0.00 H new ATOM 0 HA ARG A 111 11.384 5.616 5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.101 3.341 5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.054 3.973 4.392 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.781 2.589 3.387 1.00 0.00 H new ATOM 0 HG3 ARG A 111 11.011 4.255 2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 111 13.149 3.166 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.796 4.560 4.529 1.00 0.00 H new ATOM 0 HE ARG A 111 11.736 2.547 6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 111 14.828 2.926 4.377 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.706 1.929 5.542 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.872 1.268 7.531 1.00 0.00 H new ATOM 0 HH22 ARG A 111 14.605 0.995 7.319 1.00 0.00 H new ATOM 1675 N ALA A 112 8.445 6.371 4.062 1.00 0.00 N ATOM 1676 CA ALA A 112 7.782 7.279 3.134 1.00 0.00 C ATOM 1677 C ALA A 112 8.361 8.686 3.234 1.00 0.00 C ATOM 1678 O ALA A 112 8.516 9.378 2.227 1.00 0.00 O ATOM 1679 CB ALA A 112 6.284 7.302 3.396 1.00 0.00 C ATOM 0 H ALA A 112 7.830 5.675 4.483 1.00 0.00 H new ATOM 0 HA ALA A 112 7.956 6.914 2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.803 7.984 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.876 6.300 3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.098 7.638 4.416 1.00 0.00 H new ATOM 1685 N LEU A 113 8.678 9.104 4.454 1.00 0.00 N ATOM 1686 CA LEU A 113 9.239 10.430 4.687 1.00 0.00 C ATOM 1687 C LEU A 113 10.611 10.563 4.034 1.00 0.00 C ATOM 1688 O LEU A 113 10.836 11.454 3.213 1.00 0.00 O ATOM 1689 CB LEU A 113 9.348 10.704 6.188 1.00 0.00 C ATOM 1690 CG LEU A 113 8.060 11.141 6.886 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.217 11.061 8.396 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.675 12.551 6.462 1.00 0.00 C ATOM 0 H LEU A 113 8.556 8.544 5.298 1.00 0.00 H new ATOM 0 HA LEU A 113 8.570 11.164 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.714 9.801 6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.101 11.477 6.342 1.00 0.00 H new ATOM 0 HG LEU A 113 7.261 10.463 6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.290 11.376 8.875 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.444 10.035 8.684 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.030 11.715 8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.756 12.845 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.474 13.242 6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.519 12.577 5.384 1.00 0.00 H new ATOM 1704 N ASP A 114 11.524 9.671 4.401 1.00 0.00 N ATOM 1705 CA ASP A 114 12.874 9.686 3.848 1.00 0.00 C ATOM 1706 C ASP A 114 12.838 9.832 2.330 1.00 0.00 C ATOM 1707 O ASP A 114 13.637 10.565 1.747 1.00 0.00 O ATOM 1708 CB ASP A 114 13.620 8.407 4.232 1.00 0.00 C ATOM 1709 CG ASP A 114 15.035 8.378 3.690 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.284 9.018 2.647 1.00 0.00 O ATOM 1711 OD2 ASP A 114 15.894 7.713 4.307 1.00 0.00 O ATOM 0 H ASP A 114 11.354 8.928 5.079 1.00 0.00 H new ATOM 0 HA ASP A 114 13.401 10.544 4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 114 13.648 8.318 5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 114 13.072 7.543 3.856 1.00 0.00 H new ATOM 1716 N LEU A 115 11.906 9.128 1.695 1.00 0.00 N ATOM 1717 CA LEU A 115 11.766 9.178 0.244 1.00 0.00 C ATOM 1718 C LEU A 115 11.087 10.472 -0.193 1.00 0.00 C ATOM 1719 O LEU A 115 11.449 11.062 -1.211 1.00 0.00 O ATOM 1720 CB LEU A 115 10.964 7.974 -0.252 1.00 0.00 C ATOM 1721 CG LEU A 115 11.375 6.614 0.312 1.00 0.00 C ATOM 1722 CD1 LEU A 115 10.233 5.617 0.190 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.617 6.095 -0.399 1.00 0.00 C ATOM 0 H LEU A 115 11.237 8.516 2.162 1.00 0.00 H new ATOM 0 HA LEU A 115 12.763 9.147 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.913 8.140 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.043 7.933 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 115 11.610 6.737 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.545 4.655 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.370 5.983 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.965 5.497 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.895 5.126 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.409 5.988 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.437 6.799 -0.259 1.00 0.00 H new ATOM 1735 N PHE A 116 10.102 10.909 0.584 1.00 0.00 N ATOM 1736 CA PHE A 116 9.372 12.134 0.278 1.00 0.00 C ATOM 1737 C PHE A 116 10.334 13.290 0.022 1.00 0.00 C ATOM 1738 O PHE A 116 10.204 14.013 -0.966 1.00 0.00 O ATOM 1739 CB PHE A 116 8.424 12.488 1.426 1.00 0.00 C ATOM 1740 CG PHE A 116 7.953 13.914 1.395 1.00 0.00 C ATOM 1741 CD1 PHE A 116 6.951 14.308 0.523 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.512 14.861 2.239 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.516 15.620 0.492 1.00 0.00 C ATOM 1744 CE2 PHE A 116 8.081 16.174 2.213 1.00 0.00 C ATOM 1745 CZ PHE A 116 7.081 16.553 1.339 1.00 0.00 C ATOM 0 H PHE A 116 9.791 10.433 1.431 1.00 0.00 H new ATOM 0 HA PHE A 116 8.788 11.964 -0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.558 11.827 1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.928 12.301 2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.505 13.582 -0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.294 14.569 2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.735 15.915 -0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.525 16.902 2.875 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.741 17.578 1.318 1.00 0.00 H new ATOM 1755 N SER A 117 11.300 13.459 0.920 1.00 0.00 N ATOM 1756 CA SER A 117 12.282 14.529 0.795 1.00 0.00 C ATOM 1757 C SER A 117 13.103 14.367 -0.480 1.00 0.00 C ATOM 1758 O SER A 117 13.538 15.349 -1.082 1.00 0.00 O ATOM 1759 CB SER A 117 13.207 14.546 2.013 1.00 0.00 C ATOM 1760 OG SER A 117 14.079 13.429 2.007 1.00 0.00 O ATOM 0 H SER A 117 11.423 12.868 1.742 1.00 0.00 H new ATOM 0 HA SER A 117 11.746 15.476 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.790 15.467 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.611 14.541 2.926 1.00 0.00 H new ATOM 0 HG SER A 117 13.558 12.608 1.882 1.00 0.00 H new ATOM 1766 N ASP A 118 13.313 13.119 -0.886 1.00 0.00 N ATOM 1767 CA ASP A 118 14.081 12.826 -2.090 1.00 0.00 C ATOM 1768 C ASP A 118 13.402 13.411 -3.324 1.00 0.00 C ATOM 1769 O ASP A 118 13.996 14.204 -4.054 1.00 0.00 O ATOM 1770 CB ASP A 118 14.253 11.315 -2.256 1.00 0.00 C ATOM 1771 CG ASP A 118 15.460 10.959 -3.102 1.00 0.00 C ATOM 1772 OD1 ASP A 118 15.397 11.150 -4.334 1.00 0.00 O ATOM 1773 OD2 ASP A 118 16.466 10.488 -2.532 1.00 0.00 O ATOM 0 H ASP A 118 12.962 12.295 -0.399 1.00 0.00 H new ATOM 0 HA ASP A 118 15.063 13.287 -1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 118 14.353 10.854 -1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.356 10.898 -2.714 1.00 0.00 H new ATOM 1778 N ASN A 119 12.155 13.014 -3.552 1.00 0.00 N ATOM 1779 CA ASN A 119 11.395 13.498 -4.699 1.00 0.00 C ATOM 1780 C ASN A 119 10.719 14.828 -4.381 1.00 0.00 C ATOM 1781 O ASN A 119 11.046 15.859 -4.968 1.00 0.00 O ATOM 1782 CB ASN A 119 10.346 12.466 -5.115 1.00 0.00 C ATOM 1783 CG ASN A 119 10.894 11.052 -5.116 1.00 0.00 C ATOM 1784 OD1 ASN A 119 11.521 10.619 -6.083 1.00 0.00 O ATOM 1785 ND2 ASN A 119 10.659 10.325 -4.030 1.00 0.00 N ATOM 0 H ASN A 119 11.649 12.358 -2.957 1.00 0.00 H new ATOM 0 HA ASN A 119 12.090 13.652 -5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.495 12.523 -4.436 1.00 0.00 H new ATOM 0 HB3 ASN A 119 9.975 12.710 -6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.003 9.366 -3.974 1.00 0.00 H new ATOM 0 HD22 ASN A 119 10.135 10.725 -3.252 1.00 0.00 H new