USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 534 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 43 THR OG1 : rot 152:sc= 1.66 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= -0.0404 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0 (180deg=-0.00336) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 109:sc= 0.37 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 3:sc= 0.288 USER MOD Single : A 12 MET CE :methyl 163:sc= -0.236 (180deg=-0.959) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 78:sc= 0.169 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.004) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.67) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 38:sc= 0.845 USER MOD Single : A 65 THR OG1 : rot -68:sc= 0.541 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.705 15.779 5.124 1.00 0.00 N ATOM 2 CA MET A 1 0.837 14.621 5.465 1.00 0.00 C ATOM 3 C MET A 1 1.031 13.477 4.475 1.00 0.00 C ATOM 4 O MET A 1 0.567 13.542 3.336 1.00 0.00 O ATOM 5 CB MET A 1 -0.620 15.084 5.456 1.00 0.00 C ATOM 6 CG MET A 1 -1.009 15.894 6.682 1.00 0.00 C ATOM 7 SD MET A 1 -0.867 14.948 8.212 1.00 0.00 S ATOM 8 CE MET A 1 -2.191 15.668 9.179 1.00 0.00 C ATOM 0 H1 MET A 1 2.107 16.180 5.995 1.00 0.00 H new ATOM 0 H2 MET A 1 2.475 15.464 4.501 1.00 0.00 H new ATOM 0 H3 MET A 1 1.141 16.504 4.637 1.00 0.00 H new ATOM 0 HA MET A 1 1.108 14.250 6.454 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.796 15.684 4.563 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.269 14.211 5.386 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.374 16.778 6.745 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.035 16.245 6.570 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.232 15.186 10.156 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.009 16.735 9.308 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.140 15.522 8.663 1.00 0.00 H new ATOM 20 N GLU A 2 1.722 12.430 4.915 1.00 0.00 N ATOM 21 CA GLU A 2 1.977 11.271 4.066 1.00 0.00 C ATOM 22 C GLU A 2 0.817 10.283 4.132 1.00 0.00 C ATOM 23 O GLU A 2 0.054 10.271 5.096 1.00 0.00 O ATOM 24 CB GLU A 2 3.275 10.580 4.488 1.00 0.00 C ATOM 25 CG GLU A 2 3.956 9.823 3.360 1.00 0.00 C ATOM 26 CD GLU A 2 5.285 10.436 2.962 1.00 0.00 C ATOM 27 OE1 GLU A 2 5.436 11.667 3.098 1.00 0.00 O ATOM 28 OE2 GLU A 2 6.177 9.682 2.516 1.00 0.00 O ATOM 0 H GLU A 2 2.115 12.360 5.854 1.00 0.00 H new ATOM 0 HA GLU A 2 2.076 11.619 3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.964 11.328 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.060 9.887 5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.115 8.789 3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.296 9.801 2.493 1.00 0.00 H new ATOM 35 N GLN A 3 0.693 9.457 3.099 1.00 0.00 N ATOM 36 CA GLN A 3 -0.374 8.464 3.041 1.00 0.00 C ATOM 37 C GLN A 3 -0.024 7.344 2.071 1.00 0.00 C ATOM 38 O GLN A 3 -0.889 6.820 1.369 1.00 0.00 O ATOM 39 CB GLN A 3 -1.689 9.123 2.625 1.00 0.00 C ATOM 40 CG GLN A 3 -2.922 8.329 3.024 1.00 0.00 C ATOM 41 CD GLN A 3 -3.637 8.923 4.220 1.00 0.00 C ATOM 42 OE1 GLN A 3 -3.049 9.098 5.287 1.00 0.00 O ATOM 43 NE2 GLN A 3 -4.916 9.240 4.047 1.00 0.00 N ATOM 0 H GLN A 3 1.317 9.455 2.292 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.490 8.034 4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.746 10.115 3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.690 9.261 1.544 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.610 8.285 2.180 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.631 7.304 3.252 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.364 9.078 3.145 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.449 9.645 4.816 1.00 0.00 H new ATOM 52 N ARG A 4 1.251 6.982 2.041 1.00 0.00 N ATOM 53 CA ARG A 4 1.727 5.920 1.162 1.00 0.00 C ATOM 54 C ARG A 4 2.446 4.841 1.955 1.00 0.00 C ATOM 55 O ARG A 4 3.667 4.701 1.881 1.00 0.00 O ATOM 56 CB ARG A 4 2.654 6.488 0.089 1.00 0.00 C ATOM 57 CG ARG A 4 3.665 7.491 0.621 1.00 0.00 C ATOM 58 CD ARG A 4 5.075 7.166 0.155 1.00 0.00 C ATOM 59 NE ARG A 4 5.935 8.347 0.141 1.00 0.00 N ATOM 60 CZ ARG A 4 5.789 9.359 -0.711 1.00 0.00 C ATOM 61 NH1 ARG A 4 4.819 9.338 -1.616 1.00 0.00 N ATOM 62 NH2 ARG A 4 6.616 10.395 -0.657 1.00 0.00 N ATOM 0 H ARG A 4 1.977 7.409 2.616 1.00 0.00 H new ATOM 0 HA ARG A 4 0.860 5.471 0.677 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.188 5.667 -0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.051 6.968 -0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.393 8.493 0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.634 7.497 1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.508 6.411 0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.035 6.735 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 4 6.691 8.399 0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.181 8.544 -1.661 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.712 10.116 -2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.363 10.416 0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.505 11.171 -1.310 1.00 0.00 H new ATOM 76 N ILE A 5 1.672 4.084 2.719 1.00 0.00 N ATOM 77 CA ILE A 5 2.212 3.014 3.541 1.00 0.00 C ATOM 78 C ILE A 5 2.487 1.769 2.715 1.00 0.00 C ATOM 79 O ILE A 5 2.059 1.661 1.565 1.00 0.00 O ATOM 80 CB ILE A 5 1.239 2.649 4.678 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.570 3.908 5.220 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.964 1.908 5.791 1.00 0.00 C ATOM 83 CD1 ILE A 5 -0.942 3.859 5.175 1.00 0.00 C ATOM 0 H ILE A 5 0.660 4.194 2.786 1.00 0.00 H new ATOM 0 HA ILE A 5 3.148 3.379 3.964 1.00 0.00 H new ATOM 0 HB ILE A 5 0.470 1.989 4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.889 4.064 6.250 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.914 4.768 4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.258 1.660 6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.400 0.991 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.755 2.541 6.195 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.348 4.788 5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.271 3.734 4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.297 3.020 5.773 1.00 0.00 H new ATOM 95 N THR A 6 3.203 0.833 3.313 1.00 0.00 N ATOM 96 CA THR A 6 3.546 -0.416 2.644 1.00 0.00 C ATOM 97 C THR A 6 2.380 -1.399 2.697 1.00 0.00 C ATOM 98 O THR A 6 1.580 -1.379 3.632 1.00 0.00 O ATOM 99 CB THR A 6 4.786 -1.040 3.287 1.00 0.00 C ATOM 100 OG1 THR A 6 4.937 -0.596 4.622 1.00 0.00 O ATOM 101 CG2 THR A 6 6.068 -0.720 2.549 1.00 0.00 C ATOM 0 H THR A 6 3.561 0.912 4.265 1.00 0.00 H new ATOM 0 HA THR A 6 3.762 -0.193 1.599 1.00 0.00 H new ATOM 0 HB THR A 6 4.621 -2.117 3.246 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.738 -1.333 5.236 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.908 -1.193 3.057 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.004 -1.096 1.528 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.217 0.360 2.529 1.00 0.00 H new ATOM 109 N LEU A 7 2.290 -2.259 1.687 1.00 0.00 N ATOM 110 CA LEU A 7 1.222 -3.249 1.617 1.00 0.00 C ATOM 111 C LEU A 7 1.229 -4.146 2.851 1.00 0.00 C ATOM 112 O LEU A 7 0.176 -4.544 3.347 1.00 0.00 O ATOM 113 CB LEU A 7 1.367 -4.098 0.353 1.00 0.00 C ATOM 114 CG LEU A 7 0.296 -5.176 0.169 1.00 0.00 C ATOM 115 CD1 LEU A 7 -1.065 -4.539 -0.065 1.00 0.00 C ATOM 116 CD2 LEU A 7 0.662 -6.098 -0.985 1.00 0.00 C ATOM 0 H LEU A 7 2.945 -2.290 0.905 1.00 0.00 H new ATOM 0 HA LEU A 7 0.271 -2.718 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.348 -3.437 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.345 -4.578 0.367 1.00 0.00 H new ATOM 0 HG LEU A 7 0.244 -5.771 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.815 -5.320 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.329 -3.920 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.028 -3.920 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.110 -6.859 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.741 -5.517 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.617 -6.580 -0.777 1.00 0.00 H new ATOM 128 N LYS A 8 2.424 -4.460 3.342 1.00 0.00 N ATOM 129 CA LYS A 8 2.569 -5.310 4.517 1.00 0.00 C ATOM 130 C LYS A 8 1.872 -4.688 5.724 1.00 0.00 C ATOM 131 O LYS A 8 1.106 -5.351 6.424 1.00 0.00 O ATOM 132 CB LYS A 8 4.049 -5.538 4.828 1.00 0.00 C ATOM 133 CG LYS A 8 4.364 -6.958 5.271 1.00 0.00 C ATOM 134 CD LYS A 8 5.619 -7.492 4.593 1.00 0.00 C ATOM 135 CE LYS A 8 6.620 -8.020 5.606 1.00 0.00 C ATOM 136 NZ LYS A 8 7.681 -8.843 4.964 1.00 0.00 N ATOM 0 H LYS A 8 3.306 -4.138 2.943 1.00 0.00 H new ATOM 0 HA LYS A 8 2.100 -6.270 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.639 -5.303 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.359 -4.845 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.496 -6.981 6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.520 -7.608 5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.348 -8.288 3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.080 -6.699 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.079 -7.183 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.099 -8.619 6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.343 -9.184 5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.246 -9.656 4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.196 -8.265 4.270 1.00 0.00 H new ATOM 150 N ASP A 9 2.144 -3.408 5.962 1.00 0.00 N ATOM 151 CA ASP A 9 1.543 -2.692 7.081 1.00 0.00 C ATOM 152 C ASP A 9 0.059 -2.446 6.834 1.00 0.00 C ATOM 153 O ASP A 9 -0.750 -2.483 7.762 1.00 0.00 O ATOM 154 CB ASP A 9 2.258 -1.360 7.302 1.00 0.00 C ATOM 155 CG ASP A 9 3.632 -1.535 7.919 1.00 0.00 C ATOM 156 OD1 ASP A 9 4.533 -2.046 7.223 1.00 0.00 O ATOM 157 OD2 ASP A 9 3.805 -1.159 9.097 1.00 0.00 O ATOM 0 H ASP A 9 2.777 -2.846 5.394 1.00 0.00 H new ATOM 0 HA ASP A 9 1.649 -3.309 7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.355 -0.840 6.349 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.650 -0.728 7.949 1.00 0.00 H new ATOM 162 N TYR A 10 -0.289 -2.197 5.576 1.00 0.00 N ATOM 163 CA TYR A 10 -1.675 -1.942 5.202 1.00 0.00 C ATOM 164 C TYR A 10 -2.579 -3.093 5.631 1.00 0.00 C ATOM 165 O TYR A 10 -3.746 -2.888 5.966 1.00 0.00 O ATOM 166 CB TYR A 10 -1.785 -1.732 3.691 1.00 0.00 C ATOM 167 CG TYR A 10 -3.026 -0.977 3.271 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.287 -1.539 3.419 1.00 0.00 C ATOM 169 CD2 TYR A 10 -2.933 0.296 2.724 1.00 0.00 C ATOM 170 CE1 TYR A 10 -5.422 -0.851 3.033 1.00 0.00 C ATOM 171 CE2 TYR A 10 -4.063 0.989 2.337 1.00 0.00 C ATOM 172 CZ TYR A 10 -5.305 0.412 2.494 1.00 0.00 C ATOM 173 OH TYR A 10 -6.433 1.099 2.109 1.00 0.00 O ATOM 0 H TYR A 10 0.370 -2.166 4.798 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.001 -1.038 5.716 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.906 -1.190 3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.777 -2.703 3.197 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.382 -2.528 3.842 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.962 0.751 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.396 -1.301 3.153 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.974 1.978 1.913 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.228 0.567 2.322 1.00 0.00 H new ATOM 183 N ALA A 11 -2.030 -4.303 5.621 1.00 0.00 N ATOM 184 CA ALA A 11 -2.786 -5.486 6.010 1.00 0.00 C ATOM 185 C ALA A 11 -2.882 -5.606 7.527 1.00 0.00 C ATOM 186 O ALA A 11 -3.842 -6.168 8.055 1.00 0.00 O ATOM 187 CB ALA A 11 -2.144 -6.735 5.422 1.00 0.00 C ATOM 0 H ALA A 11 -1.065 -4.489 5.348 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.797 -5.386 5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.717 -7.613 5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.132 -6.660 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.122 -6.827 5.791 1.00 0.00 H new ATOM 193 N MET A 12 -1.882 -5.080 8.223 1.00 0.00 N ATOM 194 CA MET A 12 -1.853 -5.134 9.676 1.00 0.00 C ATOM 195 C MET A 12 -2.652 -3.988 10.286 1.00 0.00 C ATOM 196 O MET A 12 -3.222 -4.119 11.368 1.00 0.00 O ATOM 197 CB MET A 12 -0.409 -5.096 10.182 1.00 0.00 C ATOM 198 CG MET A 12 0.026 -6.376 10.875 1.00 0.00 C ATOM 199 SD MET A 12 1.773 -6.366 11.320 1.00 0.00 S ATOM 200 CE MET A 12 1.939 -4.720 12.004 1.00 0.00 C ATOM 0 H MET A 12 -1.080 -4.611 7.802 1.00 0.00 H new ATOM 0 HA MET A 12 -2.313 -6.072 9.985 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.257 -4.904 9.341 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.297 -4.262 10.874 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.573 -6.519 11.774 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.173 -7.225 10.221 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.856 -4.660 12.590 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.978 -3.992 11.194 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.084 -4.504 12.645 1.00 0.00 H new ATOM 210 N ARG A 13 -2.681 -2.864 9.585 1.00 0.00 N ATOM 211 CA ARG A 13 -3.404 -1.685 10.051 1.00 0.00 C ATOM 212 C ARG A 13 -4.845 -1.686 9.554 1.00 0.00 C ATOM 213 O ARG A 13 -5.786 -1.796 10.341 1.00 0.00 O ATOM 214 CB ARG A 13 -2.695 -0.410 9.590 1.00 0.00 C ATOM 215 CG ARG A 13 -2.979 0.793 10.474 1.00 0.00 C ATOM 216 CD ARG A 13 -2.968 2.086 9.675 1.00 0.00 C ATOM 217 NE ARG A 13 -3.451 3.220 10.460 1.00 0.00 N ATOM 218 CZ ARG A 13 -4.739 3.477 10.678 1.00 0.00 C ATOM 219 NH1 ARG A 13 -5.677 2.686 10.172 1.00 0.00 N ATOM 220 NH2 ARG A 13 -5.090 4.529 11.407 1.00 0.00 N ATOM 0 H ARG A 13 -2.211 -2.741 8.688 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.419 -1.714 11.141 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.620 -0.589 9.567 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.002 -0.182 8.569 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.949 0.670 10.957 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.233 0.848 11.267 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.954 2.290 9.330 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.590 1.969 8.787 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.760 3.852 10.865 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.413 1.875 9.612 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.662 2.889 10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.373 5.140 11.799 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.076 4.727 11.575 1.00 0.00 H new ATOM 234 N PHE A 14 -5.010 -1.546 8.244 1.00 0.00 N ATOM 235 CA PHE A 14 -6.321 -1.510 7.630 1.00 0.00 C ATOM 236 C PHE A 14 -6.903 -2.911 7.463 1.00 0.00 C ATOM 237 O PHE A 14 -8.084 -3.137 7.721 1.00 0.00 O ATOM 238 CB PHE A 14 -6.208 -0.817 6.282 1.00 0.00 C ATOM 239 CG PHE A 14 -5.627 0.563 6.386 1.00 0.00 C ATOM 240 CD1 PHE A 14 -6.437 1.648 6.669 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.271 0.778 6.212 1.00 0.00 C ATOM 242 CE1 PHE A 14 -5.909 2.909 6.774 1.00 0.00 C ATOM 243 CE2 PHE A 14 -3.740 2.037 6.315 1.00 0.00 C ATOM 244 CZ PHE A 14 -4.561 3.101 6.597 1.00 0.00 C ATOM 0 H PHE A 14 -4.238 -1.455 7.584 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.000 -0.958 8.279 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.586 -1.419 5.620 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.196 -0.757 5.825 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.498 1.500 6.809 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.623 -0.057 5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.551 3.749 6.995 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.680 2.192 6.175 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.144 4.094 6.680 1.00 0.00 H new ATOM 254 N GLY A 15 -6.068 -3.849 7.027 1.00 0.00 N ATOM 255 CA GLY A 15 -6.525 -5.212 6.832 1.00 0.00 C ATOM 256 C GLY A 15 -6.437 -5.653 5.385 1.00 0.00 C ATOM 257 O GLY A 15 -6.657 -4.857 4.473 1.00 0.00 O ATOM 0 H GLY A 15 -5.085 -3.690 6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.929 -5.883 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.557 -5.298 7.172 1.00 0.00 H new ATOM 261 N GLN A 16 -6.116 -6.925 5.173 1.00 0.00 N ATOM 262 CA GLN A 16 -5.999 -7.469 3.825 1.00 0.00 C ATOM 263 C GLN A 16 -7.311 -7.319 3.062 1.00 0.00 C ATOM 264 O GLN A 16 -7.314 -7.111 1.849 1.00 0.00 O ATOM 265 CB GLN A 16 -5.595 -8.944 3.882 1.00 0.00 C ATOM 266 CG GLN A 16 -4.309 -9.194 4.654 1.00 0.00 C ATOM 267 CD GLN A 16 -4.091 -10.662 4.965 1.00 0.00 C ATOM 268 OE1 GLN A 16 -4.603 -11.539 4.269 1.00 0.00 O ATOM 269 NE2 GLN A 16 -3.328 -10.937 6.017 1.00 0.00 N ATOM 0 H GLN A 16 -5.932 -7.598 5.917 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.227 -6.907 3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.402 -9.515 4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.477 -9.319 2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.464 -8.820 4.076 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.333 -8.629 5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.924 -10.178 6.566 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.146 -11.907 6.276 1.00 0.00 H new ATOM 278 N THR A 17 -8.423 -7.426 3.781 1.00 0.00 N ATOM 279 CA THR A 17 -9.742 -7.302 3.172 1.00 0.00 C ATOM 280 C THR A 17 -9.955 -5.896 2.620 1.00 0.00 C ATOM 281 O THR A 17 -10.390 -5.724 1.483 1.00 0.00 O ATOM 282 CB THR A 17 -10.830 -7.633 4.193 1.00 0.00 C ATOM 283 OG1 THR A 17 -10.640 -8.936 4.717 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.230 -7.560 3.621 1.00 0.00 C ATOM 0 H THR A 17 -8.437 -7.598 4.786 1.00 0.00 H new ATOM 0 HA THR A 17 -9.803 -8.010 2.345 1.00 0.00 H new ATOM 0 HB THR A 17 -10.739 -6.877 4.973 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.344 -9.132 5.370 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.954 -7.806 4.398 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.421 -6.552 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.325 -8.270 2.799 1.00 0.00 H new ATOM 292 N LYS A 18 -9.645 -4.893 3.434 1.00 0.00 N ATOM 293 CA LYS A 18 -9.803 -3.502 3.028 1.00 0.00 C ATOM 294 C LYS A 18 -8.839 -3.152 1.898 1.00 0.00 C ATOM 295 O LYS A 18 -9.172 -2.373 1.005 1.00 0.00 O ATOM 296 CB LYS A 18 -9.571 -2.570 4.218 1.00 0.00 C ATOM 297 CG LYS A 18 -10.140 -1.177 4.020 1.00 0.00 C ATOM 298 CD LYS A 18 -9.408 -0.148 4.864 1.00 0.00 C ATOM 299 CE LYS A 18 -10.250 1.095 5.094 1.00 0.00 C ATOM 300 NZ LYS A 18 -10.810 1.140 6.475 1.00 0.00 N ATOM 0 H LYS A 18 -9.283 -5.018 4.379 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.823 -3.370 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.018 -3.013 5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.500 -2.493 4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.070 -0.901 2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.198 -1.175 4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.141 -0.589 5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.476 0.130 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.642 1.983 4.920 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.065 1.120 4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.378 2.003 6.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.411 0.306 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.032 1.142 7.165 1.00 0.00 H new ATOM 314 N THR A 19 -7.645 -3.733 1.944 1.00 0.00 N ATOM 315 CA THR A 19 -6.633 -3.483 0.926 1.00 0.00 C ATOM 316 C THR A 19 -7.147 -3.863 -0.460 1.00 0.00 C ATOM 317 O THR A 19 -6.797 -3.231 -1.456 1.00 0.00 O ATOM 318 CB THR A 19 -5.357 -4.268 1.240 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.100 -4.269 2.633 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.130 -3.717 0.546 1.00 0.00 C ATOM 0 H THR A 19 -7.355 -4.381 2.676 1.00 0.00 H new ATOM 0 HA THR A 19 -6.407 -2.417 0.931 1.00 0.00 H new ATOM 0 HB THR A 19 -5.540 -5.277 0.872 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.690 -4.915 3.074 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.261 -4.319 0.811 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.278 -3.749 -0.534 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.967 -2.686 0.860 1.00 0.00 H new ATOM 328 N ALA A 20 -7.976 -4.899 -0.514 1.00 0.00 N ATOM 329 CA ALA A 20 -8.537 -5.364 -1.776 1.00 0.00 C ATOM 330 C ALA A 20 -9.827 -4.622 -2.114 1.00 0.00 C ATOM 331 O ALA A 20 -10.160 -4.451 -3.284 1.00 0.00 O ATOM 332 CB ALA A 20 -8.786 -6.863 -1.723 1.00 0.00 C ATOM 0 H ALA A 20 -8.274 -5.433 0.302 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.813 -5.155 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.205 -7.196 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.845 -7.382 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.487 -7.087 -0.919 1.00 0.00 H new ATOM 338 N LYS A 21 -10.540 -4.184 -1.082 1.00 0.00 N ATOM 339 CA LYS A 21 -11.790 -3.463 -1.271 1.00 0.00 C ATOM 340 C LYS A 21 -11.530 -2.005 -1.640 1.00 0.00 C ATOM 341 O LYS A 21 -12.270 -1.418 -2.436 1.00 0.00 O ATOM 342 CB LYS A 21 -12.640 -3.535 -0.001 1.00 0.00 C ATOM 343 CG LYS A 21 -14.060 -3.029 -0.190 1.00 0.00 C ATOM 344 CD LYS A 21 -14.850 -3.925 -1.132 1.00 0.00 C ATOM 345 CE LYS A 21 -16.340 -3.608 -1.086 1.00 0.00 C ATOM 346 NZ LYS A 21 -17.170 -4.838 -1.186 1.00 0.00 N ATOM 0 H LYS A 21 -10.272 -4.316 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.331 -3.935 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.674 -4.568 0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.157 -2.952 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.562 -2.982 0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.036 -2.014 -0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.481 -3.799 -2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.691 -4.969 -0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.572 -3.087 -0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.593 -2.931 -1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.177 -4.581 -1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.967 -5.322 -2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.947 -5.473 -0.393 1.00 0.00 H new ATOM 360 N ASP A 22 -10.490 -1.426 -1.058 1.00 0.00 N ATOM 361 CA ASP A 22 -10.140 -0.038 -1.328 1.00 0.00 C ATOM 362 C ASP A 22 -9.631 0.129 -2.756 1.00 0.00 C ATOM 363 O ASP A 22 -9.989 1.083 -3.446 1.00 0.00 O ATOM 364 CB ASP A 22 -9.079 0.439 -0.333 1.00 0.00 C ATOM 365 CG ASP A 22 -9.674 1.258 0.796 1.00 0.00 C ATOM 366 OD1 ASP A 22 -10.710 1.910 0.573 1.00 0.00 O ATOM 367 OD2 ASP A 22 -9.097 1.247 1.904 1.00 0.00 O ATOM 0 H ASP A 22 -9.873 -1.896 -0.395 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.038 0.569 -1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.560 -0.425 0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.334 1.036 -0.859 1.00 0.00 H new ATOM 372 N LEU A 23 -8.791 -0.804 -3.193 1.00 0.00 N ATOM 373 CA LEU A 23 -8.232 -0.760 -4.538 1.00 0.00 C ATOM 374 C LEU A 23 -9.232 -1.287 -5.563 1.00 0.00 C ATOM 375 O LEU A 23 -9.577 -0.597 -6.522 1.00 0.00 O ATOM 376 CB LEU A 23 -6.936 -1.573 -4.601 1.00 0.00 C ATOM 377 CG LEU A 23 -5.679 -0.761 -4.920 1.00 0.00 C ATOM 378 CD1 LEU A 23 -4.592 -1.031 -3.890 1.00 0.00 C ATOM 379 CD2 LEU A 23 -5.177 -1.075 -6.322 1.00 0.00 C ATOM 0 H LEU A 23 -8.483 -1.600 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.011 0.280 -4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.793 -2.075 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.049 -2.351 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.937 0.297 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.706 -0.445 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.951 -0.751 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.339 -2.091 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.283 -0.487 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.938 -2.136 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.950 -0.827 -7.049 1.00 0.00 H new ATOM 391 N GLY A 24 -9.692 -2.516 -5.352 1.00 0.00 N ATOM 392 CA GLY A 24 -10.640 -3.118 -6.265 1.00 0.00 C ATOM 393 C GLY A 24 -10.200 -4.489 -6.741 1.00 0.00 C ATOM 394 O GLY A 24 -10.350 -4.823 -7.916 1.00 0.00 O ATOM 0 H GLY A 24 -9.423 -3.105 -4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.609 -3.202 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.775 -2.464 -7.127 1.00 0.00 H new ATOM 398 N VAL A 25 -9.662 -5.283 -5.825 1.00 0.00 N ATOM 399 CA VAL A 25 -9.197 -6.625 -6.154 1.00 0.00 C ATOM 400 C VAL A 25 -9.575 -7.619 -5.061 1.00 0.00 C ATOM 401 O VAL A 25 -10.220 -7.257 -4.078 1.00 0.00 O ATOM 402 CB VAL A 25 -7.670 -6.655 -6.355 1.00 0.00 C ATOM 403 CG1 VAL A 25 -7.290 -5.990 -7.669 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.963 -5.987 -5.186 1.00 0.00 C ATOM 0 H VAL A 25 -9.536 -5.021 -4.847 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.684 -6.911 -7.086 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.349 -7.696 -6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.208 -6.021 -7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.765 -6.519 -8.495 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.625 -4.953 -7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.885 -6.018 -5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.288 -4.950 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.208 -6.514 -4.264 1.00 0.00 H new ATOM 414 N GLN A 26 -9.170 -8.871 -5.237 1.00 0.00 N ATOM 415 CA GLN A 26 -9.466 -9.914 -4.266 1.00 0.00 C ATOM 416 C GLN A 26 -8.261 -10.178 -3.371 1.00 0.00 C ATOM 417 O GLN A 26 -7.139 -9.788 -3.692 1.00 0.00 O ATOM 418 CB GLN A 26 -9.879 -11.204 -4.976 1.00 0.00 C ATOM 419 CG GLN A 26 -11.000 -11.013 -5.979 1.00 0.00 C ATOM 420 CD GLN A 26 -11.180 -12.212 -6.888 1.00 0.00 C ATOM 421 OE1 GLN A 26 -12.270 -12.775 -6.985 1.00 0.00 O ATOM 422 NE2 GLN A 26 -10.110 -12.611 -7.563 1.00 0.00 N ATOM 0 H GLN A 26 -8.635 -9.188 -6.045 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.293 -9.571 -3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.012 -11.621 -5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.191 -11.935 -4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.931 -10.823 -5.445 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.794 -10.130 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.225 -12.116 -7.454 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.173 -13.412 -8.191 1.00 0.00 H new ATOM 431 N GLN A 27 -8.504 -10.844 -2.251 1.00 0.00 N ATOM 432 CA GLN A 27 -7.441 -11.167 -1.306 1.00 0.00 C ATOM 433 C GLN A 27 -6.391 -12.069 -1.946 1.00 0.00 C ATOM 434 O GLN A 27 -5.268 -12.175 -1.454 1.00 0.00 O ATOM 435 CB GLN A 27 -8.022 -11.844 -0.063 1.00 0.00 C ATOM 436 CG GLN A 27 -9.201 -11.095 0.541 1.00 0.00 C ATOM 437 CD GLN A 27 -10.360 -12.009 0.873 1.00 0.00 C ATOM 438 OE1 GLN A 27 -11.170 -12.336 0.009 1.00 0.00 O ATOM 439 NE2 GLN A 27 -10.440 -12.427 2.130 1.00 0.00 N ATOM 0 H GLN A 27 -9.429 -11.172 -1.973 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.959 -10.234 -1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.338 -12.854 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.239 -11.939 0.689 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.876 -10.582 1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.536 -10.328 -0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.743 -12.128 2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.198 -13.047 2.414 1.00 0.00 H new ATOM 448 N SER A 28 -6.760 -12.718 -3.046 1.00 0.00 N ATOM 449 CA SER A 28 -5.846 -13.611 -3.750 1.00 0.00 C ATOM 450 C SER A 28 -4.607 -12.858 -4.225 1.00 0.00 C ATOM 451 O SER A 28 -3.481 -13.320 -4.046 1.00 0.00 O ATOM 452 CB SER A 28 -6.550 -14.259 -4.944 1.00 0.00 C ATOM 453 OG SER A 28 -5.826 -15.382 -5.415 1.00 0.00 O ATOM 0 H SER A 28 -7.685 -12.642 -3.469 1.00 0.00 H new ATOM 0 HA SER A 28 -5.533 -14.390 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.555 -14.566 -4.655 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.658 -13.529 -5.746 1.00 0.00 H new ATOM 0 HG SER A 28 -6.297 -15.779 -6.177 1.00 0.00 H new ATOM 459 N ALA A 29 -4.822 -11.694 -4.830 1.00 0.00 N ATOM 460 CA ALA A 29 -3.723 -10.878 -5.330 1.00 0.00 C ATOM 461 C ALA A 29 -2.833 -10.397 -4.191 1.00 0.00 C ATOM 462 O ALA A 29 -1.607 -10.443 -4.287 1.00 0.00 O ATOM 463 CB ALA A 29 -4.261 -9.694 -6.121 1.00 0.00 C ATOM 0 H ALA A 29 -5.748 -11.295 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.117 -11.496 -5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.429 -9.093 -6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.847 -10.057 -6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.893 -9.083 -5.477 1.00 0.00 H new ATOM 469 N ILE A 30 -3.456 -9.941 -3.110 1.00 0.00 N ATOM 470 CA ILE A 30 -2.714 -9.459 -1.952 1.00 0.00 C ATOM 471 C ILE A 30 -1.887 -10.589 -1.344 1.00 0.00 C ATOM 472 O ILE A 30 -0.817 -10.356 -0.779 1.00 0.00 O ATOM 473 CB ILE A 30 -3.657 -8.867 -0.880 1.00 0.00 C ATOM 474 CG1 ILE A 30 -4.243 -7.538 -1.362 1.00 0.00 C ATOM 475 CG2 ILE A 30 -2.924 -8.668 0.441 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.186 -7.681 -2.538 1.00 0.00 C ATOM 0 H ILE A 30 -4.470 -9.895 -3.012 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.049 -8.666 -2.294 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.470 -9.574 -0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.775 -7.064 -0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.427 -6.871 -1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.610 -8.250 1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.549 -9.627 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.089 -7.984 0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.562 -6.699 -2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.654 -8.125 -3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.022 -8.322 -2.258 1.00 0.00 H new ATOM 488 N ASN A 31 -2.390 -11.813 -1.468 1.00 0.00 N ATOM 489 CA ASN A 31 -1.699 -12.980 -0.939 1.00 0.00 C ATOM 490 C ASN A 31 -0.429 -13.266 -1.732 1.00 0.00 C ATOM 491 O ASN A 31 0.624 -13.541 -1.159 1.00 0.00 O ATOM 492 CB ASN A 31 -2.620 -14.200 -0.970 1.00 0.00 C ATOM 493 CG ASN A 31 -2.102 -15.338 -0.111 1.00 0.00 C ATOM 494 OD1 ASN A 31 -1.814 -15.155 1.072 1.00 0.00 O ATOM 495 ND2 ASN A 31 -1.983 -16.521 -0.704 1.00 0.00 N ATOM 0 H ASN A 31 -3.275 -12.021 -1.931 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.420 -12.770 0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.613 -13.911 -0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.727 -14.545 -1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.641 -17.324 -0.176 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.234 -16.626 -1.687 1.00 0.00 H new ATOM 502 N LYS A 32 -0.536 -13.200 -3.057 1.00 0.00 N ATOM 503 CA LYS A 32 0.601 -13.452 -3.929 1.00 0.00 C ATOM 504 C LYS A 32 1.603 -12.306 -3.874 1.00 0.00 C ATOM 505 O LYS A 32 2.791 -12.490 -4.136 1.00 0.00 O ATOM 506 CB LYS A 32 0.132 -13.660 -5.370 1.00 0.00 C ATOM 507 CG LYS A 32 -0.997 -14.667 -5.503 1.00 0.00 C ATOM 508 CD LYS A 32 -0.481 -16.095 -5.425 1.00 0.00 C ATOM 509 CE LYS A 32 -1.568 -17.057 -4.970 1.00 0.00 C ATOM 510 NZ LYS A 32 -1.036 -18.100 -4.050 1.00 0.00 N ATOM 0 H LYS A 32 -1.401 -12.974 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 32 1.095 -14.358 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.195 -12.704 -5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.977 -13.992 -5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.730 -14.500 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.511 -14.516 -6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.108 -16.402 -6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.360 -16.142 -4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.359 -16.500 -4.469 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.017 -17.535 -5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.807 -18.736 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.298 -18.649 -4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.630 -17.645 -3.207 1.00 0.00 H new ATOM 524 N TRP A 33 1.113 -11.121 -3.539 1.00 0.00 N ATOM 525 CA TRP A 33 1.946 -9.940 -3.453 1.00 0.00 C ATOM 526 C TRP A 33 2.924 -10.034 -2.286 1.00 0.00 C ATOM 527 O TRP A 33 4.112 -9.747 -2.433 1.00 0.00 O ATOM 528 CB TRP A 33 1.042 -8.727 -3.295 1.00 0.00 C ATOM 529 CG TRP A 33 0.325 -8.365 -4.545 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.585 -8.839 -5.780 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.781 -7.474 -4.675 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.274 -8.282 -6.697 1.00 0.00 N ATOM 533 CE2 TRP A 33 -1.128 -7.438 -6.037 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.504 -6.700 -3.773 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -2.169 -6.655 -6.520 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.544 -5.921 -4.248 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.866 -5.902 -5.612 1.00 0.00 C ATOM 0 H TRP A 33 0.130 -10.956 -3.321 1.00 0.00 H new ATOM 0 HA TRP A 33 2.540 -9.850 -4.363 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.313 -8.925 -2.510 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.640 -7.877 -2.967 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.359 -9.555 -6.015 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.275 -8.466 -7.700 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.258 -6.707 -2.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.419 -6.640 -7.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -3.116 -5.319 -3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.680 -5.281 -5.954 1.00 0.00 H new ATOM 548 N ILE A 34 2.416 -10.441 -1.126 1.00 0.00 N ATOM 549 CA ILE A 34 3.244 -10.575 0.066 1.00 0.00 C ATOM 550 C ILE A 34 3.959 -11.924 0.092 1.00 0.00 C ATOM 551 O ILE A 34 5.025 -12.060 0.693 1.00 0.00 O ATOM 552 CB ILE A 34 2.409 -10.424 1.352 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.498 -9.198 1.255 1.00 0.00 C ATOM 554 CG2 ILE A 34 3.318 -10.321 2.567 1.00 0.00 C ATOM 555 CD1 ILE A 34 0.575 -9.037 2.442 1.00 0.00 C ATOM 0 H ILE A 34 1.435 -10.683 -0.987 1.00 0.00 H new ATOM 0 HA ILE A 34 3.984 -9.776 0.027 1.00 0.00 H new ATOM 0 HB ILE A 34 1.784 -11.309 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.114 -8.304 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.900 -9.271 0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.712 -10.215 3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.927 -11.222 2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.968 -9.452 2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.041 -8.148 2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.067 -9.914 2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.167 -8.932 3.351 1.00 0.00 H new ATOM 567 N HIS A 35 3.363 -12.917 -0.561 1.00 0.00 N ATOM 568 CA HIS A 35 3.940 -14.254 -0.613 1.00 0.00 C ATOM 569 C HIS A 35 5.336 -14.226 -1.222 1.00 0.00 C ATOM 570 O HIS A 35 6.180 -15.066 -0.911 1.00 0.00 O ATOM 571 CB HIS A 35 3.037 -15.184 -1.423 1.00 0.00 C ATOM 572 CG HIS A 35 2.192 -16.089 -0.581 1.00 0.00 C ATOM 573 ND1 HIS A 35 1.983 -15.889 0.767 1.00 0.00 N ATOM 574 CD2 HIS A 35 1.503 -17.208 -0.905 1.00 0.00 C ATOM 575 CE1 HIS A 35 1.200 -16.846 1.236 1.00 0.00 C ATOM 576 NE2 HIS A 35 0.896 -17.658 0.241 1.00 0.00 N ATOM 0 H HIS A 35 2.480 -12.820 -1.062 1.00 0.00 H new ATOM 0 HA HIS A 35 4.020 -14.628 0.408 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.387 -14.582 -2.058 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.656 -15.791 -2.084 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.442 -17.662 -1.883 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.866 -16.946 2.258 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.305 -18.486 0.312 1.00 0.00 H new ATOM 585 N ALA A 36 5.569 -13.255 -2.093 1.00 0.00 N ATOM 586 CA ALA A 36 6.860 -13.112 -2.754 1.00 0.00 C ATOM 587 C ALA A 36 7.592 -11.858 -2.284 1.00 0.00 C ATOM 588 O ALA A 36 8.805 -11.736 -2.458 1.00 0.00 O ATOM 589 CB ALA A 36 6.675 -13.082 -4.264 1.00 0.00 C ATOM 0 H ALA A 36 4.879 -12.552 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 36 7.472 -13.974 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.646 -12.975 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.207 -14.010 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.039 -12.239 -4.536 1.00 0.00 H new ATOM 595 N GLY A 37 6.853 -10.932 -1.686 1.00 0.00 N ATOM 596 CA GLY A 37 7.452 -9.703 -1.200 1.00 0.00 C ATOM 597 C GLY A 37 7.443 -8.602 -2.242 1.00 0.00 C ATOM 598 O GLY A 37 8.498 -8.124 -2.659 1.00 0.00 O ATOM 0 H GLY A 37 5.848 -11.010 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.913 -9.365 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.479 -9.900 -0.893 1.00 0.00 H new ATOM 602 N ARG A 38 6.249 -8.199 -2.663 1.00 0.00 N ATOM 603 CA ARG A 38 6.105 -7.148 -3.664 1.00 0.00 C ATOM 604 C ARG A 38 6.122 -5.769 -3.010 1.00 0.00 C ATOM 605 O ARG A 38 5.252 -5.444 -2.203 1.00 0.00 O ATOM 606 CB ARG A 38 4.805 -7.337 -4.448 1.00 0.00 C ATOM 607 CG ARG A 38 4.891 -6.859 -5.891 1.00 0.00 C ATOM 608 CD ARG A 38 4.654 -7.994 -6.875 1.00 0.00 C ATOM 609 NE ARG A 38 3.747 -7.605 -7.953 1.00 0.00 N ATOM 610 CZ ARG A 38 3.253 -8.455 -8.849 1.00 0.00 C ATOM 611 NH1 ARG A 38 3.574 -9.742 -8.802 1.00 0.00 N ATOM 612 NH2 ARG A 38 2.432 -8.017 -9.795 1.00 0.00 N ATOM 0 H ARG A 38 5.367 -8.584 -2.327 1.00 0.00 H new ATOM 0 HA ARG A 38 6.949 -7.216 -4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.535 -8.393 -4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.003 -6.798 -3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.155 -6.073 -6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.872 -6.420 -6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.607 -8.310 -7.300 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.240 -8.852 -6.345 1.00 0.00 H new ATOM 0 HE ARG A 38 3.477 -6.624 -8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.203 -10.085 -8.076 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.192 -10.389 -9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.180 -7.029 -9.835 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.053 -8.668 -10.483 1.00 0.00 H new ATOM 626 N LYS A 39 7.117 -4.964 -3.365 1.00 0.00 N ATOM 627 CA LYS A 39 7.248 -3.620 -2.815 1.00 0.00 C ATOM 628 C LYS A 39 6.191 -2.689 -3.399 1.00 0.00 C ATOM 629 O LYS A 39 6.362 -2.148 -4.492 1.00 0.00 O ATOM 630 CB LYS A 39 8.645 -3.065 -3.093 1.00 0.00 C ATOM 631 CG LYS A 39 9.761 -3.883 -2.464 1.00 0.00 C ATOM 632 CD LYS A 39 10.179 -3.314 -1.117 1.00 0.00 C ATOM 633 CE LYS A 39 11.547 -3.827 -0.694 1.00 0.00 C ATOM 634 NZ LYS A 39 11.450 -4.826 0.405 1.00 0.00 N ATOM 0 H LYS A 39 7.845 -5.219 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 39 7.098 -3.679 -1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.801 -3.021 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.701 -2.042 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.431 -4.914 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.621 -3.903 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.199 -2.226 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.440 -3.582 -0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.047 -4.278 -1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.164 -2.989 -0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.403 -5.151 0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.996 -4.389 1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.882 -5.637 0.087 1.00 0.00 H new ATOM 648 N ILE A 40 5.099 -2.505 -2.664 1.00 0.00 N ATOM 649 CA ILE A 40 4.014 -1.639 -3.108 1.00 0.00 C ATOM 650 C ILE A 40 3.654 -0.615 -2.038 1.00 0.00 C ATOM 651 O ILE A 40 3.992 -0.785 -0.867 1.00 0.00 O ATOM 652 CB ILE A 40 2.755 -2.455 -3.464 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.120 -3.632 -4.368 1.00 0.00 C ATOM 654 CG2 ILE A 40 1.717 -1.566 -4.134 1.00 0.00 C ATOM 655 CD1 ILE A 40 1.930 -4.479 -4.763 1.00 0.00 C ATOM 0 H ILE A 40 4.942 -2.945 -1.757 1.00 0.00 H new ATOM 0 HA ILE A 40 4.368 -1.120 -3.999 1.00 0.00 H new ATOM 0 HB ILE A 40 2.326 -2.850 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.601 -3.252 -5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.850 -4.260 -3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.835 -2.158 -4.379 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.437 -0.760 -3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.135 -1.143 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.262 -5.296 -5.404 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.461 -4.888 -3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.209 -3.865 -5.302 1.00 0.00 H new ATOM 667 N PHE A 41 2.969 0.447 -2.447 1.00 0.00 N ATOM 668 CA PHE A 41 2.564 1.495 -1.517 1.00 0.00 C ATOM 669 C PHE A 41 1.165 2.007 -1.841 1.00 0.00 C ATOM 670 O PHE A 41 0.937 2.600 -2.895 1.00 0.00 O ATOM 671 CB PHE A 41 3.561 2.655 -1.552 1.00 0.00 C ATOM 672 CG PHE A 41 4.934 2.282 -1.072 1.00 0.00 C ATOM 673 CD1 PHE A 41 5.268 2.396 0.268 1.00 0.00 C ATOM 674 CD2 PHE A 41 5.890 1.817 -1.960 1.00 0.00 C ATOM 675 CE1 PHE A 41 6.531 2.053 0.712 1.00 0.00 C ATOM 676 CE2 PHE A 41 7.154 1.473 -1.522 1.00 0.00 C ATOM 677 CZ PHE A 41 7.475 1.590 -0.184 1.00 0.00 C ATOM 0 H PHE A 41 2.683 0.605 -3.413 1.00 0.00 H new ATOM 0 HA PHE A 41 2.551 1.064 -0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.632 3.032 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.179 3.470 -0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.534 2.757 0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.644 1.722 -3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.780 2.147 1.759 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.890 1.113 -2.225 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.462 1.320 0.161 1.00 0.00 H new ATOM 687 N LEU A 42 0.233 1.769 -0.925 1.00 0.00 N ATOM 688 CA LEU A 42 -1.146 2.199 -1.105 1.00 0.00 C ATOM 689 C LEU A 42 -1.310 3.677 -0.774 1.00 0.00 C ATOM 690 O LEU A 42 -1.032 4.109 0.343 1.00 0.00 O ATOM 691 CB LEU A 42 -2.069 1.363 -0.220 1.00 0.00 C ATOM 692 CG LEU A 42 -2.388 -0.024 -0.769 1.00 0.00 C ATOM 693 CD1 LEU A 42 -1.473 -1.068 -0.150 1.00 0.00 C ATOM 694 CD2 LEU A 42 -3.849 -0.376 -0.524 1.00 0.00 C ATOM 0 H LEU A 42 0.410 1.279 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.414 2.054 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.609 1.254 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.003 1.906 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.216 -0.014 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.716 -2.051 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.436 -0.827 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.610 -1.077 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.056 -1.369 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.051 -0.366 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.488 0.355 -1.020 1.00 0.00 H new ATOM 706 N THR A 43 -1.770 4.445 -1.756 1.00 0.00 N ATOM 707 CA THR A 43 -1.980 5.874 -1.572 1.00 0.00 C ATOM 708 C THR A 43 -3.465 6.182 -1.419 1.00 0.00 C ATOM 709 O THR A 43 -4.220 6.148 -2.390 1.00 0.00 O ATOM 710 CB THR A 43 -1.402 6.655 -2.754 1.00 0.00 C ATOM 711 OG1 THR A 43 -0.388 5.907 -3.400 1.00 0.00 O ATOM 712 CG2 THR A 43 -0.809 7.989 -2.356 1.00 0.00 C ATOM 0 H THR A 43 -2.004 4.101 -2.687 1.00 0.00 H new ATOM 0 HA THR A 43 -1.465 6.181 -0.662 1.00 0.00 H new ATOM 0 HB THR A 43 -2.244 6.836 -3.422 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.343 6.164 -4.345 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.417 8.491 -3.240 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.581 8.608 -1.899 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.001 7.830 -1.641 1.00 0.00 H new ATOM 720 N ILE A 44 -3.878 6.481 -0.191 1.00 0.00 N ATOM 721 CA ILE A 44 -5.274 6.793 0.090 1.00 0.00 C ATOM 722 C ILE A 44 -5.556 8.277 -0.114 1.00 0.00 C ATOM 723 O ILE A 44 -4.991 9.127 0.573 1.00 0.00 O ATOM 724 CB ILE A 44 -5.658 6.402 1.530 1.00 0.00 C ATOM 725 CG1 ILE A 44 -5.207 4.972 1.833 1.00 0.00 C ATOM 726 CG2 ILE A 44 -7.160 6.544 1.734 1.00 0.00 C ATOM 727 CD1 ILE A 44 -5.251 4.625 3.305 1.00 0.00 C ATOM 0 H ILE A 44 -3.266 6.514 0.624 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.876 6.212 -0.609 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.151 7.076 2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.841 4.275 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.190 4.835 1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.416 6.264 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.455 7.578 1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.685 5.891 1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.918 3.597 3.447 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.595 5.298 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.272 4.730 3.673 1.00 0.00 H new ATOM 739 N ASN A 45 -6.434 8.579 -1.064 1.00 0.00 N ATOM 740 CA ASN A 45 -6.793 9.962 -1.359 1.00 0.00 C ATOM 741 C ASN A 45 -7.810 10.486 -0.353 1.00 0.00 C ATOM 742 O ASN A 45 -8.344 9.731 0.458 1.00 0.00 O ATOM 743 CB ASN A 45 -7.355 10.073 -2.777 1.00 0.00 C ATOM 744 CG ASN A 45 -6.379 9.580 -3.827 1.00 0.00 C ATOM 745 OD1 ASN A 45 -6.740 8.502 -4.512 1.00 0.00 O flip ATOM 746 ND2 ASN A 45 -5.311 10.163 -4.022 1.00 0.00 N flip ATOM 0 H ASN A 45 -6.910 7.886 -1.642 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.891 10.570 -1.285 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.278 9.498 -2.845 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.611 11.112 -2.983 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.073 10.989 -3.472 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.665 9.820 -4.733 1.00 0.00 H new ATOM 753 N ALA A 46 -8.076 11.788 -0.413 1.00 0.00 N ATOM 754 CA ALA A 46 -9.031 12.417 0.494 1.00 0.00 C ATOM 755 C ALA A 46 -10.470 12.038 0.144 1.00 0.00 C ATOM 756 O ALA A 46 -11.390 12.342 0.893 1.00 0.00 O ATOM 757 CB ALA A 46 -8.862 13.929 0.469 1.00 0.00 C ATOM 0 H ALA A 46 -7.644 12.428 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.827 12.052 1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.580 14.387 1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.850 14.187 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.035 14.298 -0.542 1.00 0.00 H new ATOM 763 N ASP A 47 -10.650 11.375 -0.995 1.00 0.00 N ATOM 764 CA ASP A 47 -11.970 10.960 -1.436 1.00 0.00 C ATOM 765 C ASP A 47 -12.290 9.547 -0.955 1.00 0.00 C ATOM 766 O ASP A 47 -13.450 9.140 -0.926 1.00 0.00 O ATOM 767 CB ASP A 47 -12.080 11.025 -2.965 1.00 0.00 C ATOM 768 CG ASP A 47 -10.750 10.883 -3.674 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.260 9.740 -3.807 1.00 0.00 O ATOM 770 OD2 ASP A 47 -10.190 11.918 -4.097 1.00 0.00 O ATOM 0 H ASP A 47 -9.894 11.115 -1.628 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.694 11.649 -1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.751 10.237 -3.307 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.534 11.975 -3.248 1.00 0.00 H new ATOM 775 N GLY A 48 -11.260 8.803 -0.581 1.00 0.00 N ATOM 776 CA GLY A 48 -11.450 7.444 -0.111 1.00 0.00 C ATOM 777 C GLY A 48 -10.980 6.411 -1.119 1.00 0.00 C ATOM 778 O GLY A 48 -11.320 5.233 -1.009 1.00 0.00 O ATOM 0 H GLY A 48 -10.290 9.117 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.908 7.307 0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.506 7.282 0.106 1.00 0.00 H new ATOM 782 N SER A 49 -10.200 6.850 -2.104 1.00 0.00 N ATOM 783 CA SER A 49 -9.699 5.952 -3.133 1.00 0.00 C ATOM 784 C SER A 49 -8.240 5.594 -2.867 1.00 0.00 C ATOM 785 O SER A 49 -7.404 6.473 -2.659 1.00 0.00 O ATOM 786 CB SER A 49 -9.842 6.592 -4.512 1.00 0.00 C ATOM 787 OG SER A 49 -10.690 5.823 -5.344 1.00 0.00 O ATOM 0 H SER A 49 -9.904 7.820 -2.208 1.00 0.00 H new ATOM 0 HA SER A 49 -10.291 5.037 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.245 7.600 -4.409 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.860 6.687 -4.976 1.00 0.00 H new ATOM 0 HG SER A 49 -10.767 6.254 -6.221 1.00 0.00 H new ATOM 793 N VAL A 50 -7.944 4.299 -2.874 1.00 0.00 N ATOM 794 CA VAL A 50 -6.587 3.823 -2.632 1.00 0.00 C ATOM 795 C VAL A 50 -6.051 3.070 -3.842 1.00 0.00 C ATOM 796 O VAL A 50 -6.759 2.269 -4.451 1.00 0.00 O ATOM 797 CB VAL A 50 -6.517 2.902 -1.396 1.00 0.00 C ATOM 798 CG1 VAL A 50 -5.109 2.890 -0.827 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.521 3.337 -0.336 1.00 0.00 C ATOM 0 H VAL A 50 -8.626 3.560 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.973 4.704 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.775 1.890 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.074 2.236 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.414 2.524 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.827 3.901 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.452 2.672 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.302 4.358 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.529 3.292 -0.749 1.00 0.00 H new ATOM 809 N TYR A 51 -4.793 3.331 -4.184 1.00 0.00 N ATOM 810 CA TYR A 51 -4.160 2.675 -5.322 1.00 0.00 C ATOM 811 C TYR A 51 -2.754 2.205 -4.964 1.00 0.00 C ATOM 812 O TYR A 51 -1.975 2.944 -4.362 1.00 0.00 O ATOM 813 CB TYR A 51 -4.108 3.621 -6.524 1.00 0.00 C ATOM 814 CG TYR A 51 -3.251 4.846 -6.298 1.00 0.00 C ATOM 815 CD1 TYR A 51 -1.868 4.779 -6.399 1.00 0.00 C ATOM 816 CD2 TYR A 51 -3.827 6.072 -5.987 1.00 0.00 C ATOM 817 CE1 TYR A 51 -1.081 5.897 -6.196 1.00 0.00 C ATOM 818 CE2 TYR A 51 -3.047 7.195 -5.784 1.00 0.00 C ATOM 819 CZ TYR A 51 -1.676 7.102 -5.890 1.00 0.00 C ATOM 820 OH TYR A 51 -0.896 8.218 -5.686 1.00 0.00 O ATOM 0 H TYR A 51 -4.193 3.991 -3.690 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.759 1.803 -5.586 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.726 3.076 -7.387 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.122 3.938 -6.770 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.399 3.837 -6.640 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.901 6.149 -5.903 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.006 5.827 -6.277 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.510 8.141 -5.543 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.470 8.985 -5.480 1.00 0.00 H new ATOM 830 N ALA A 52 -2.436 0.969 -5.337 1.00 0.00 N ATOM 831 CA ALA A 52 -1.125 0.398 -5.053 1.00 0.00 C ATOM 832 C ALA A 52 -0.143 0.692 -6.182 1.00 0.00 C ATOM 833 O ALA A 52 -0.342 0.267 -7.319 1.00 0.00 O ATOM 834 CB ALA A 52 -1.243 -1.102 -4.828 1.00 0.00 C ATOM 0 H ALA A 52 -3.069 0.344 -5.837 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.741 0.861 -4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.257 -1.517 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.905 -1.292 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.651 -1.573 -5.722 1.00 0.00 H new ATOM 840 N GLU A 53 0.918 1.424 -5.858 1.00 0.00 N ATOM 841 CA GLU A 53 1.933 1.775 -6.845 1.00 0.00 C ATOM 842 C GLU A 53 3.118 0.817 -6.770 1.00 0.00 C ATOM 843 O GLU A 53 3.663 0.570 -5.695 1.00 0.00 O ATOM 844 CB GLU A 53 2.408 3.214 -6.629 1.00 0.00 C ATOM 845 CG GLU A 53 1.793 4.207 -7.601 1.00 0.00 C ATOM 846 CD GLU A 53 2.458 5.568 -7.543 1.00 0.00 C ATOM 847 OE1 GLU A 53 2.455 6.185 -6.455 1.00 0.00 O ATOM 848 OE2 GLU A 53 2.983 6.018 -8.582 1.00 0.00 O ATOM 0 H GLU A 53 1.097 1.785 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 53 1.486 1.693 -7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.168 3.518 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.493 3.248 -6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.869 3.813 -8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.731 4.316 -7.380 1.00 0.00 H new ATOM 855 N GLU A 54 3.510 0.281 -7.921 1.00 0.00 N ATOM 856 CA GLU A 54 4.631 -0.652 -7.987 1.00 0.00 C ATOM 857 C GLU A 54 5.921 0.075 -8.354 1.00 0.00 C ATOM 858 O GLU A 54 5.957 0.858 -9.302 1.00 0.00 O ATOM 859 CB GLU A 54 4.344 -1.753 -9.008 1.00 0.00 C ATOM 860 CG GLU A 54 5.249 -2.966 -8.863 1.00 0.00 C ATOM 861 CD GLU A 54 5.224 -3.862 -10.086 1.00 0.00 C ATOM 862 OE1 GLU A 54 5.951 -3.560 -11.057 1.00 0.00 O ATOM 863 OE2 GLU A 54 4.477 -4.862 -10.075 1.00 0.00 O ATOM 0 H GLU A 54 3.069 0.476 -8.820 1.00 0.00 H new ATOM 0 HA GLU A 54 4.756 -1.103 -7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.306 -2.070 -8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.456 -1.344 -10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.271 -2.633 -8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.942 -3.541 -7.989 1.00 0.00 H new ATOM 870 N VAL A 55 6.979 -0.191 -7.594 1.00 0.00 N ATOM 871 CA VAL A 55 8.272 0.438 -7.838 1.00 0.00 C ATOM 872 C VAL A 55 9.273 -0.564 -8.402 1.00 0.00 C ATOM 873 O VAL A 55 9.996 -1.222 -7.654 1.00 0.00 O ATOM 874 CB VAL A 55 8.850 1.052 -6.550 1.00 0.00 C ATOM 875 CG1 VAL A 55 10.093 1.874 -6.860 1.00 0.00 C ATOM 876 CG2 VAL A 55 7.803 1.902 -5.846 1.00 0.00 C ATOM 0 H VAL A 55 6.966 -0.837 -6.805 1.00 0.00 H new ATOM 0 HA VAL A 55 8.105 1.231 -8.567 1.00 0.00 H new ATOM 0 HB VAL A 55 9.136 0.241 -5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.487 2.300 -5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.848 1.234 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.835 2.678 -7.549 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.230 2.327 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.483 2.707 -6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.945 1.282 -5.587 1.00 0.00 H new ATOM 886 N LYS A 56 9.311 -0.674 -9.726 1.00 0.00 N ATOM 887 CA LYS A 56 10.224 -1.596 -10.391 1.00 0.00 C ATOM 888 C LYS A 56 10.587 -1.091 -11.786 1.00 0.00 C ATOM 889 O LYS A 56 9.758 -0.494 -12.473 1.00 0.00 O ATOM 890 CB LYS A 56 9.597 -2.989 -10.488 1.00 0.00 C ATOM 891 CG LYS A 56 9.286 -3.611 -9.136 1.00 0.00 C ATOM 892 CD LYS A 56 9.160 -5.123 -9.235 1.00 0.00 C ATOM 893 CE LYS A 56 9.539 -5.801 -7.929 1.00 0.00 C ATOM 894 NZ LYS A 56 9.239 -7.259 -7.952 1.00 0.00 N ATOM 0 H LYS A 56 8.720 -0.136 -10.360 1.00 0.00 H new ATOM 0 HA LYS A 56 11.136 -1.656 -9.796 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.677 -2.925 -11.069 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.274 -3.646 -11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.074 -3.356 -8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.358 -3.192 -8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.136 -5.387 -9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.801 -5.491 -10.036 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.602 -5.652 -7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.999 -5.332 -7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.512 -7.684 -7.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.221 -7.401 -8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.774 -7.711 -8.720 1.00 0.00 H new ATOM 908 N PRO A 57 11.836 -1.324 -12.225 1.00 0.00 N ATOM 909 CA PRO A 57 12.302 -0.887 -13.544 1.00 0.00 C ATOM 910 C PRO A 57 11.723 -1.734 -14.672 1.00 0.00 C ATOM 911 O PRO A 57 11.543 -2.943 -14.524 1.00 0.00 O ATOM 912 CB PRO A 57 13.817 -1.072 -13.461 1.00 0.00 C ATOM 913 CG PRO A 57 14.007 -2.169 -12.473 1.00 0.00 C ATOM 914 CD PRO A 57 12.893 -2.028 -11.471 1.00 0.00 C ATOM 0 HA PRO A 57 11.994 0.134 -13.769 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.238 -1.335 -14.431 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.311 -0.156 -13.137 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.971 -3.143 -12.961 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.980 -2.092 -11.987 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.551 -2.999 -11.112 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.209 -1.459 -10.597 1.00 0.00 H new ATOM 922 N ASP A 58 11.432 -1.093 -15.799 1.00 0.00 N ATOM 923 CA ASP A 58 10.874 -1.788 -16.953 1.00 0.00 C ATOM 924 C ASP A 58 11.510 -1.288 -18.250 1.00 0.00 C ATOM 925 O ASP A 58 11.453 -0.097 -18.556 1.00 0.00 O ATOM 926 CB ASP A 58 9.357 -1.591 -17.006 1.00 0.00 C ATOM 927 CG ASP A 58 8.635 -2.817 -17.529 1.00 0.00 C ATOM 928 OD1 ASP A 58 8.451 -2.918 -18.760 1.00 0.00 O ATOM 929 OD2 ASP A 58 8.251 -3.674 -16.705 1.00 0.00 O ATOM 0 H ASP A 58 11.574 -0.092 -15.938 1.00 0.00 H new ATOM 0 HA ASP A 58 11.093 -2.851 -16.849 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.989 -1.354 -16.008 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.126 -0.737 -17.643 1.00 0.00 H new ATOM 934 N PRO A 59 12.125 -2.193 -19.035 1.00 0.00 N ATOM 935 CA PRO A 59 12.768 -1.826 -20.301 1.00 0.00 C ATOM 936 C PRO A 59 11.753 -1.478 -21.385 1.00 0.00 C ATOM 937 O PRO A 59 11.261 -2.355 -22.094 1.00 0.00 O ATOM 938 CB PRO A 59 13.544 -3.087 -20.682 1.00 0.00 C ATOM 939 CG PRO A 59 12.797 -4.199 -20.034 1.00 0.00 C ATOM 940 CD PRO A 59 12.243 -3.637 -18.754 1.00 0.00 C ATOM 0 HA PRO A 59 13.393 -0.939 -20.200 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.586 -3.215 -21.764 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.573 -3.041 -20.327 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.997 -4.560 -20.680 1.00 0.00 H new ATOM 0 HG3 PRO A 59 13.453 -5.046 -19.836 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.277 -4.078 -18.507 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.907 -3.829 -17.911 1.00 0.00 H new ATOM 948 N SER A 60 11.445 -0.190 -21.508 1.00 0.00 N ATOM 949 CA SER A 60 10.488 0.274 -22.507 1.00 0.00 C ATOM 950 C SER A 60 10.970 1.566 -23.161 1.00 0.00 C ATOM 951 O SER A 60 10.267 2.578 -23.156 1.00 0.00 O ATOM 952 CB SER A 60 9.116 0.489 -21.866 1.00 0.00 C ATOM 953 OG SER A 60 8.327 -0.686 -21.944 1.00 0.00 O ATOM 0 H SER A 60 11.843 0.550 -20.929 1.00 0.00 H new ATOM 0 HA SER A 60 10.403 -0.491 -23.279 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.240 0.779 -20.823 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.602 1.310 -22.366 1.00 0.00 H new ATOM 0 HG SER A 60 7.456 -0.523 -21.526 1.00 0.00 H new ATOM 959 N ASN A 61 12.171 1.525 -23.726 1.00 0.00 N ATOM 960 CA ASN A 61 12.746 2.691 -24.386 1.00 0.00 C ATOM 961 C ASN A 61 13.388 2.301 -25.714 1.00 0.00 C ATOM 962 O ASN A 61 14.511 1.799 -25.748 1.00 0.00 O ATOM 963 CB ASN A 61 13.784 3.357 -23.479 1.00 0.00 C ATOM 964 CG ASN A 61 13.213 4.538 -22.719 1.00 0.00 C ATOM 965 OD1 ASN A 61 13.619 5.680 -22.928 1.00 0.00 O ATOM 966 ND2 ASN A 61 12.266 4.266 -21.828 1.00 0.00 N ATOM 0 H ASN A 61 12.766 0.696 -23.740 1.00 0.00 H new ATOM 0 HA ASN A 61 11.942 3.399 -24.585 1.00 0.00 H new ATOM 0 HB2 ASN A 61 14.168 2.623 -22.770 1.00 0.00 H new ATOM 0 HB3 ASN A 61 14.629 3.690 -24.082 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.845 5.020 -21.285 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.960 3.303 -21.687 1.00 0.00 H new ATOM 973 N LYS A 62 12.667 2.538 -26.805 1.00 0.00 N ATOM 974 CA LYS A 62 13.167 2.212 -28.136 1.00 0.00 C ATOM 975 C LYS A 62 12.780 3.291 -29.143 1.00 0.00 C ATOM 976 O LYS A 62 11.708 3.238 -29.744 1.00 0.00 O ATOM 977 CB LYS A 62 12.623 0.854 -28.587 1.00 0.00 C ATOM 978 CG LYS A 62 13.701 -0.103 -29.073 1.00 0.00 C ATOM 979 CD LYS A 62 13.647 -1.431 -28.334 1.00 0.00 C ATOM 980 CE LYS A 62 14.721 -1.519 -27.261 1.00 0.00 C ATOM 981 NZ LYS A 62 14.190 -2.076 -25.985 1.00 0.00 N ATOM 0 H LYS A 62 11.736 2.954 -26.794 1.00 0.00 H new ATOM 0 HA LYS A 62 14.255 2.162 -28.088 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.087 0.393 -27.757 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.899 1.009 -29.387 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.579 -0.276 -30.142 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.682 0.352 -28.933 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.665 -1.554 -27.877 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.773 -2.248 -29.044 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.539 -2.145 -27.617 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.134 -0.527 -27.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.954 -2.119 -25.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.426 -1.465 -25.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.819 -3.033 -26.152 1.00 0.00 H new ATOM 995 N LYS A 63 13.661 4.269 -29.320 1.00 0.00 N ATOM 996 CA LYS A 63 13.414 5.362 -30.254 1.00 0.00 C ATOM 997 C LYS A 63 14.675 5.704 -31.039 1.00 0.00 C ATOM 998 O LYS A 63 15.631 6.254 -30.489 1.00 0.00 O ATOM 999 CB LYS A 63 12.910 6.598 -29.504 1.00 0.00 C ATOM 1000 CG LYS A 63 11.401 6.766 -29.553 1.00 0.00 C ATOM 1001 CD LYS A 63 10.904 7.671 -28.437 1.00 0.00 C ATOM 1002 CE LYS A 63 9.402 7.888 -28.523 1.00 0.00 C ATOM 1003 NZ LYS A 63 8.641 6.739 -27.959 1.00 0.00 N ATOM 0 H LYS A 63 14.553 4.328 -28.829 1.00 0.00 H new ATOM 0 HA LYS A 63 12.649 5.038 -30.959 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.227 6.535 -28.463 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.380 7.486 -29.927 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.112 7.184 -30.517 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.922 5.790 -29.472 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.154 7.231 -27.472 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.415 8.632 -28.492 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.136 8.798 -27.986 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.116 8.037 -29.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.621 6.926 -28.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.875 5.874 -28.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.894 6.612 -26.958 1.00 0.00 H new ATOM 1017 N THR A 64 14.675 5.374 -32.326 1.00 0.00 N ATOM 1018 CA THR A 64 15.820 5.646 -33.187 1.00 0.00 C ATOM 1019 C THR A 64 15.372 6.227 -34.524 1.00 0.00 C ATOM 1020 O THR A 64 14.840 5.512 -35.374 1.00 0.00 O ATOM 1021 CB THR A 64 16.627 4.368 -33.416 1.00 0.00 C ATOM 1022 OG1 THR A 64 15.839 3.386 -34.066 1.00 0.00 O ATOM 1023 CG2 THR A 64 17.157 3.756 -32.137 1.00 0.00 C ATOM 0 H THR A 64 13.894 4.917 -32.796 1.00 0.00 H new ATOM 0 HA THR A 64 16.451 6.381 -32.688 1.00 0.00 H new ATOM 0 HB THR A 64 17.473 4.669 -34.034 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.260 3.817 -34.729 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.720 2.853 -32.372 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.810 4.470 -31.635 1.00 0.00 H new ATOM 0 HG23 THR A 64 16.323 3.504 -31.482 1.00 0.00 H new ATOM 1031 N THR A 65 15.590 7.524 -34.704 1.00 0.00 N ATOM 1032 CA THR A 65 15.209 8.200 -35.938 1.00 0.00 C ATOM 1033 C THR A 65 16.309 9.152 -36.399 1.00 0.00 C ATOM 1034 O THR A 65 16.128 10.371 -36.406 1.00 0.00 O ATOM 1035 CB THR A 65 13.900 8.967 -35.740 1.00 0.00 C ATOM 1036 OG1 THR A 65 13.583 9.724 -36.894 1.00 0.00 O ATOM 1037 CG2 THR A 65 13.934 9.916 -34.563 1.00 0.00 C ATOM 0 H THR A 65 16.029 8.129 -34.010 1.00 0.00 H new ATOM 0 HA THR A 65 15.064 7.443 -36.709 1.00 0.00 H new ATOM 0 HB THR A 65 13.145 8.204 -35.548 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.236 10.447 -37.001 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.975 10.427 -34.480 1.00 0.00 H new ATOM 0 HG22 THR A 65 14.126 9.355 -33.649 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.725 10.651 -34.711 1.00 0.00 H new ATOM 1045 N ALA A 66 17.448 8.588 -36.784 1.00 0.00 N ATOM 1046 CA ALA A 66 18.578 9.385 -37.247 1.00 0.00 C ATOM 1047 C ALA A 66 19.084 8.888 -38.597 1.00 0.00 C ATOM 1048 O ALA A 66 19.587 9.719 -39.381 1.00 0.00 O ATOM 1049 CB ALA A 66 19.699 9.358 -36.219 1.00 0.00 C ATOM 1050 OXT ALA A 66 18.971 7.672 -38.858 1.00 0.00 O ATOM 0 H ALA A 66 17.614 7.582 -36.785 1.00 0.00 H new ATOM 0 HA ALA A 66 18.239 10.413 -37.372 1.00 0.00 H new ATOM 0 HB1 ALA A 66 20.536 9.957 -36.578 1.00 0.00 H new ATOM 0 HB2 ALA A 66 19.338 9.768 -35.276 1.00 0.00 H new ATOM 0 HB3 ALA A 66 20.028 8.330 -36.066 1.00 0.00 H new TER 1056 ALA A 66