USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 610 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.66! C(o=-2.7!,f=-4.3!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1 USER MOD Single : A 15 LYS NZ :NH3+ 149:sc= -0.195 (180deg=-0.812) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 162:sc=-0.00324 (180deg=-0.252) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.22) USER MOD Single : A 26 MET CE :methyl 144:sc= -0.5 (180deg=-1.79) USER MOD Single : A 31 GLN : amide:sc= -1.04 X(o=-1,f=-1.1) USER MOD Single : A 34 MET CE :methyl 171:sc= 0 (180deg=-0.151) USER MOD Single : A 36 GLN : amide:sc= -0.0436 X(o=-0.044,f=-0.53) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -150:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 107:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.576 11.423 1.960 1.00 0.00 N ATOM 2 CA MET A 1 10.007 10.107 1.724 1.00 0.00 C ATOM 3 C MET A 1 10.916 9.018 2.283 1.00 0.00 C ATOM 4 O MET A 1 11.824 8.556 1.600 1.00 0.00 O ATOM 5 CB MET A 1 9.803 9.901 0.225 1.00 0.00 C ATOM 6 CG MET A 1 8.370 10.239 -0.186 1.00 0.00 C ATOM 7 SD MET A 1 8.056 9.645 -1.843 1.00 0.00 S ATOM 8 CE MET A 1 6.299 9.345 -1.736 1.00 0.00 C ATOM 0 H1 MET A 1 9.942 12.150 1.572 1.00 0.00 H new ATOM 0 H2 MET A 1 10.690 11.573 2.983 1.00 0.00 H new ATOM 0 H3 MET A 1 11.504 11.489 1.495 1.00 0.00 H new ATOM 0 HA MET A 1 9.046 10.043 2.234 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.501 10.528 -0.330 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.026 8.867 -0.037 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.666 9.786 0.512 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.214 11.317 -0.141 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.935 8.968 -2.692 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.102 8.609 -0.957 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.785 10.275 -1.494 1.00 0.00 H new ATOM 18 N LYS A 2 10.641 8.623 3.520 1.00 0.00 N ATOM 19 CA LYS A 2 11.430 7.587 4.167 1.00 0.00 C ATOM 20 C LYS A 2 10.516 6.433 4.561 1.00 0.00 C ATOM 21 O LYS A 2 9.413 6.649 5.055 1.00 0.00 O ATOM 22 CB LYS A 2 12.222 8.170 5.339 1.00 0.00 C ATOM 23 CG LYS A 2 13.661 7.667 5.338 1.00 0.00 C ATOM 24 CD LYS A 2 14.532 8.481 6.304 1.00 0.00 C ATOM 25 CE LYS A 2 15.990 8.412 5.917 1.00 0.00 C ATOM 26 NZ LYS A 2 16.804 7.755 6.969 1.00 0.00 N ATOM 0 H LYS A 2 9.884 9.001 4.090 1.00 0.00 H new ATOM 0 HA LYS A 2 12.173 7.187 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.215 9.258 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.740 7.898 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.682 6.615 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.072 7.732 4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.203 9.520 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.404 8.104 7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.093 7.863 4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.368 9.419 5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.800 7.725 6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.725 8.293 7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.459 6.786 7.120 1.00 0.00 H new ATOM 40 N ALA A 3 10.999 5.224 4.320 1.00 0.00 N ATOM 41 CA ALA A 3 10.244 4.033 4.654 1.00 0.00 C ATOM 42 C ALA A 3 10.403 3.739 6.140 1.00 0.00 C ATOM 43 O ALA A 3 9.883 2.741 6.622 1.00 0.00 O ATOM 44 CB ALA A 3 10.714 2.870 3.784 1.00 0.00 C ATOM 0 H ALA A 3 11.909 5.045 3.895 1.00 0.00 H new ATOM 0 HA ALA A 3 9.183 4.184 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.146 1.975 4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.558 3.115 2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.774 2.689 3.961 1.00 0.00 H new ATOM 50 N SER A 4 11.137 4.599 6.829 1.00 0.00 N ATOM 51 CA SER A 4 11.356 4.437 8.254 1.00 0.00 C ATOM 52 C SER A 4 10.074 3.982 8.937 1.00 0.00 C ATOM 53 O SER A 4 10.137 3.326 9.969 1.00 0.00 O ATOM 54 CB SER A 4 11.861 5.733 8.882 1.00 0.00 C ATOM 55 OG SER A 4 10.811 6.629 9.221 1.00 0.00 O ATOM 0 H SER A 4 11.591 5.417 6.422 1.00 0.00 H new ATOM 0 HA SER A 4 12.120 3.673 8.395 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.434 5.497 9.779 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.542 6.226 8.188 1.00 0.00 H new ATOM 0 HG SER A 4 11.189 7.440 9.620 1.00 0.00 H new ATOM 61 N GLU A 5 8.946 4.336 8.344 1.00 0.00 N ATOM 62 CA GLU A 5 7.652 3.964 8.884 1.00 0.00 C ATOM 63 C GLU A 5 7.212 2.613 8.323 1.00 0.00 C ATOM 64 O GLU A 5 6.681 1.777 9.047 1.00 0.00 O ATOM 65 CB GLU A 5 6.612 5.043 8.587 1.00 0.00 C ATOM 66 CG GLU A 5 6.554 5.363 7.091 1.00 0.00 C ATOM 67 CD GLU A 5 5.361 6.252 6.760 1.00 0.00 C ATOM 68 OE1 GLU A 5 5.513 7.476 6.956 1.00 0.00 O ATOM 69 OE2 GLU A 5 4.334 5.690 6.327 1.00 0.00 O ATOM 0 H GLU A 5 8.902 4.883 7.484 1.00 0.00 H new ATOM 0 HA GLU A 5 7.741 3.873 9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.632 4.710 8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.853 5.947 9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.476 5.860 6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.489 4.436 6.521 1.00 0.00 H new ATOM 76 N LEU A 6 7.452 2.431 7.034 1.00 0.00 N ATOM 77 CA LEU A 6 7.087 1.208 6.363 1.00 0.00 C ATOM 78 C LEU A 6 8.007 0.063 6.790 1.00 0.00 C ATOM 79 O LEU A 6 7.548 -1.015 7.152 1.00 0.00 O ATOM 80 CB LEU A 6 7.085 1.437 4.842 1.00 0.00 C ATOM 81 CG LEU A 6 5.691 1.670 4.225 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.734 2.297 5.240 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.820 2.521 2.964 1.00 0.00 C ATOM 0 H LEU A 6 7.901 3.123 6.434 1.00 0.00 H new ATOM 0 HA LEU A 6 6.078 0.914 6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.715 2.298 4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.541 0.573 4.358 1.00 0.00 H new ATOM 0 HG LEU A 6 5.263 0.707 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.760 2.449 4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.627 1.633 6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.132 3.256 5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.833 2.683 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.267 3.482 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.453 2.006 2.241 1.00 0.00 H new ATOM 95 N ARG A 7 9.306 0.339 6.729 1.00 0.00 N ATOM 96 CA ARG A 7 10.309 -0.623 7.145 1.00 0.00 C ATOM 97 C ARG A 7 10.383 -0.693 8.670 1.00 0.00 C ATOM 98 O ARG A 7 11.184 -1.451 9.215 1.00 0.00 O ATOM 99 CB ARG A 7 11.686 -0.246 6.594 1.00 0.00 C ATOM 100 CG ARG A 7 12.617 -1.459 6.608 1.00 0.00 C ATOM 101 CD ARG A 7 13.775 -1.265 7.587 1.00 0.00 C ATOM 102 NE ARG A 7 14.972 -1.999 7.130 1.00 0.00 N ATOM 103 CZ ARG A 7 16.201 -1.821 7.631 1.00 0.00 C ATOM 104 NH1 ARG A 7 16.406 -0.929 8.606 1.00 0.00 N ATOM 105 NH2 ARG A 7 17.224 -2.537 7.153 1.00 0.00 N ATOM 0 H ARG A 7 9.685 1.225 6.394 1.00 0.00 H new ATOM 0 HA ARG A 7 10.019 -1.597 6.749 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.586 0.132 5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.116 0.557 7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.052 -2.350 6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.011 -1.628 5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.006 -0.204 7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.483 -1.615 8.577 1.00 0.00 H new ATOM 0 HE ARG A 7 14.855 -2.686 6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.625 -0.382 8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.343 -0.795 8.986 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.067 -3.217 6.409 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.161 -2.404 7.533 1.00 0.00 H new ATOM 119 N ASN A 8 9.551 0.108 9.319 1.00 0.00 N ATOM 120 CA ASN A 8 9.510 0.128 10.769 1.00 0.00 C ATOM 121 C ASN A 8 8.781 -1.115 11.278 1.00 0.00 C ATOM 122 O ASN A 8 8.702 -1.335 12.483 1.00 0.00 O ATOM 123 CB ASN A 8 8.760 1.359 11.274 1.00 0.00 C ATOM 124 CG ASN A 8 9.616 2.171 12.236 1.00 0.00 C ATOM 125 OD1 ASN A 8 10.832 2.219 12.130 1.00 0.00 O ATOM 126 ND2 ASN A 8 8.927 2.817 13.171 1.00 0.00 N ATOM 0 H ASN A 8 8.899 0.748 8.865 1.00 0.00 H new ATOM 0 HA ASN A 8 10.536 0.151 11.136 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.468 1.982 10.429 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.842 1.049 11.773 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.414 3.395 13.855 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.911 2.734 13.204 1.00 0.00 H new ATOM 133 N TYR A 9 8.258 -1.889 10.337 1.00 0.00 N ATOM 134 CA TYR A 9 7.540 -3.114 10.644 1.00 0.00 C ATOM 135 C TYR A 9 8.381 -4.342 10.351 1.00 0.00 C ATOM 136 O TYR A 9 9.420 -4.242 9.704 1.00 0.00 O ATOM 137 CB TYR A 9 6.271 -3.105 9.824 1.00 0.00 C ATOM 138 CG TYR A 9 5.187 -2.152 10.300 1.00 0.00 C ATOM 139 CD1 TYR A 9 4.306 -2.559 11.279 1.00 0.00 C ATOM 140 CD2 TYR A 9 5.076 -0.887 9.746 1.00 0.00 C ATOM 141 CE1 TYR A 9 3.277 -1.674 11.733 1.00 0.00 C ATOM 142 CE2 TYR A 9 4.048 0.003 10.202 1.00 0.00 C ATOM 143 CZ TYR A 9 3.189 -0.428 11.176 1.00 0.00 C ATOM 144 OH TYR A 9 2.205 0.412 11.598 1.00 0.00 O ATOM 0 H TYR A 9 8.321 -1.684 9.340 1.00 0.00 H new ATOM 0 HA TYR A 9 7.306 -3.159 11.708 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.527 -2.851 8.795 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.861 -4.115 9.811 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.392 -3.548 11.704 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.761 -0.572 8.973 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.583 -1.984 12.501 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.954 0.995 9.785 1.00 0.00 H new ATOM 0 HH TYR A 9 2.269 1.261 11.113 1.00 0.00 H new ATOM 154 N THR A 10 7.908 -5.478 10.842 1.00 0.00 N ATOM 155 CA THR A 10 8.598 -6.735 10.623 1.00 0.00 C ATOM 156 C THR A 10 8.183 -7.339 9.288 1.00 0.00 C ATOM 157 O THR A 10 7.055 -7.143 8.845 1.00 0.00 O ATOM 158 CB THR A 10 8.302 -7.650 11.811 1.00 0.00 C ATOM 159 OG1 THR A 10 6.897 -7.854 11.777 1.00 0.00 O ATOM 160 CG2 THR A 10 8.556 -6.957 13.151 1.00 0.00 C ATOM 0 H THR A 10 7.052 -5.553 11.392 1.00 0.00 H new ATOM 0 HA THR A 10 9.676 -6.588 10.564 1.00 0.00 H new ATOM 0 HB THR A 10 8.922 -8.544 11.737 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.633 -8.439 12.517 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.332 -7.646 13.965 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.601 -6.652 13.211 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.916 -6.078 13.233 1.00 0.00 H new ATOM 168 N ASP A 11 9.104 -8.059 8.667 1.00 0.00 N ATOM 169 CA ASP A 11 8.848 -8.686 7.381 1.00 0.00 C ATOM 170 C ASP A 11 7.414 -9.215 7.351 1.00 0.00 C ATOM 171 O ASP A 11 6.662 -8.937 6.416 1.00 0.00 O ATOM 172 CB ASP A 11 9.789 -9.870 7.152 1.00 0.00 C ATOM 173 CG ASP A 11 11.279 -9.528 7.190 1.00 0.00 C ATOM 174 OD1 ASP A 11 11.681 -8.817 8.138 1.00 0.00 O ATOM 175 OD2 ASP A 11 11.985 -9.972 6.260 1.00 0.00 O ATOM 0 H ASP A 11 10.041 -8.224 9.036 1.00 0.00 H new ATOM 0 HA ASP A 11 9.007 -7.938 6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.586 -10.628 7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.559 -10.316 6.185 1.00 0.00 H new ATOM 180 N GLU A 12 7.069 -9.966 8.389 1.00 0.00 N ATOM 181 CA GLU A 12 5.737 -10.525 8.503 1.00 0.00 C ATOM 182 C GLU A 12 4.689 -9.418 8.520 1.00 0.00 C ATOM 183 O GLU A 12 3.668 -9.518 7.849 1.00 0.00 O ATOM 184 CB GLU A 12 5.612 -11.406 9.744 1.00 0.00 C ATOM 185 CG GLU A 12 4.418 -12.352 9.628 1.00 0.00 C ATOM 186 CD GLU A 12 3.528 -12.265 10.866 1.00 0.00 C ATOM 187 OE1 GLU A 12 4.009 -12.674 11.943 1.00 0.00 O ATOM 188 OE2 GLU A 12 2.378 -11.806 10.706 1.00 0.00 O ATOM 0 H GLU A 12 7.695 -10.199 9.160 1.00 0.00 H new ATOM 0 HA GLU A 12 5.561 -11.152 7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.526 -11.984 9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.499 -10.780 10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.837 -12.103 8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.771 -13.375 9.501 1.00 0.00 H new ATOM 195 N GLU A 13 4.972 -8.380 9.290 1.00 0.00 N ATOM 196 CA GLU A 13 4.069 -7.251 9.393 1.00 0.00 C ATOM 197 C GLU A 13 4.023 -6.484 8.077 1.00 0.00 C ATOM 198 O GLU A 13 2.947 -6.110 7.623 1.00 0.00 O ATOM 199 CB GLU A 13 4.479 -6.326 10.538 1.00 0.00 C ATOM 200 CG GLU A 13 3.685 -6.637 11.803 1.00 0.00 C ATOM 201 CD GLU A 13 2.985 -5.392 12.329 1.00 0.00 C ATOM 202 OE1 GLU A 13 2.050 -4.921 11.644 1.00 0.00 O ATOM 203 OE2 GLU A 13 3.383 -4.944 13.419 1.00 0.00 O ATOM 0 H GLU A 13 5.820 -8.298 9.851 1.00 0.00 H new ATOM 0 HA GLU A 13 3.071 -7.633 9.608 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.545 -6.438 10.737 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.316 -5.288 10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.947 -7.411 11.592 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.353 -7.033 12.568 1.00 0.00 H new ATOM 210 N LEU A 14 5.189 -6.278 7.485 1.00 0.00 N ATOM 211 CA LEU A 14 5.290 -5.567 6.229 1.00 0.00 C ATOM 212 C LEU A 14 4.184 -6.030 5.296 1.00 0.00 C ATOM 213 O LEU A 14 3.283 -5.261 4.980 1.00 0.00 O ATOM 214 CB LEU A 14 6.681 -5.743 5.629 1.00 0.00 C ATOM 215 CG LEU A 14 7.666 -4.684 6.049 1.00 0.00 C ATOM 216 CD1 LEU A 14 6.763 -3.145 5.859 1.00 0.00 C ATOM 217 CD2 LEU A 14 8.341 -5.065 7.391 1.00 0.00 C ATOM 0 H LEU A 14 6.082 -6.597 7.861 1.00 0.00 H new ATOM 0 HA LEU A 14 5.156 -4.498 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.069 -6.720 5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.600 -5.739 4.542 1.00 0.00 H new ATOM 0 HG LEU A 14 8.568 -4.570 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.403 -2.310 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.456 -3.029 4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.880 -3.160 6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.049 -4.287 7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.580 -5.165 8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.869 -6.012 7.277 1.00 0.00 H new ATOM 229 N LYS A 15 4.271 -7.281 4.874 1.00 0.00 N ATOM 230 CA LYS A 15 3.271 -7.849 3.991 1.00 0.00 C ATOM 231 C LYS A 15 1.890 -7.655 4.608 1.00 0.00 C ATOM 232 O LYS A 15 0.954 -7.302 3.900 1.00 0.00 O ATOM 233 CB LYS A 15 3.599 -9.309 3.687 1.00 0.00 C ATOM 234 CG LYS A 15 3.726 -10.126 4.971 1.00 0.00 C ATOM 235 CD LYS A 15 2.368 -10.653 5.437 1.00 0.00 C ATOM 236 CE LYS A 15 2.138 -12.078 4.946 1.00 0.00 C ATOM 237 NZ LYS A 15 3.127 -13.006 5.529 1.00 0.00 N ATOM 0 H LYS A 15 5.024 -7.920 5.129 1.00 0.00 H new ATOM 0 HA LYS A 15 3.272 -7.334 3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.819 -9.736 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.530 -9.365 3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.405 -10.963 4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.166 -9.509 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.318 -10.627 6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.575 -10.004 5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.131 -12.400 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.205 -12.107 3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.698 -13.947 5.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.953 -13.073 4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.428 -12.653 6.460 1.00 0.00 H new ATOM 251 N ASN A 16 1.796 -7.873 5.910 1.00 0.00 N ATOM 252 CA ASN A 16 0.538 -7.718 6.616 1.00 0.00 C ATOM 253 C ASN A 16 0.152 -6.239 6.645 1.00 0.00 C ATOM 254 O ASN A 16 -0.932 -5.885 7.100 1.00 0.00 O ATOM 255 CB ASN A 16 0.656 -8.207 8.059 1.00 0.00 C ATOM 256 CG ASN A 16 -0.645 -8.857 8.521 1.00 0.00 C ATOM 257 OD1 ASN A 16 -0.886 -10.036 8.311 1.00 0.00 O ATOM 258 ND2 ASN A 16 -1.479 -8.042 9.156 1.00 0.00 N ATOM 0 H ASN A 16 2.579 -8.158 6.499 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.217 -8.308 6.096 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.474 -8.923 8.139 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.901 -7.370 8.712 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.374 -8.393 9.497 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.224 -7.065 9.303 1.00 0.00 H new ATOM 265 N LEU A 17 1.049 -5.402 6.152 1.00 0.00 N ATOM 266 CA LEU A 17 0.827 -3.972 6.123 1.00 0.00 C ATOM 267 C LEU A 17 0.596 -3.538 4.679 1.00 0.00 C ATOM 268 O LEU A 17 -0.226 -2.665 4.417 1.00 0.00 O ATOM 269 CB LEU A 17 1.973 -3.232 6.814 1.00 0.00 C ATOM 270 CG LEU A 17 1.556 -2.197 7.861 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.870 -2.692 9.271 1.00 0.00 C ATOM 272 CD2 LEU A 17 2.199 -0.839 7.573 1.00 0.00 C ATOM 0 H LEU A 17 1.945 -5.695 5.764 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.068 -3.711 6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.620 -3.967 7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.570 -2.731 6.052 1.00 0.00 H new ATOM 0 HG LEU A 17 0.476 -2.061 7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.565 -1.939 9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.329 -3.619 9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.941 -2.872 9.363 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.887 -0.121 8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.284 -0.939 7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.884 -0.489 6.590 1.00 0.00 H new ATOM 284 N LEU A 18 1.321 -4.173 3.768 1.00 0.00 N ATOM 285 CA LEU A 18 1.219 -3.850 2.358 1.00 0.00 C ATOM 286 C LEU A 18 0.032 -4.597 1.764 1.00 0.00 C ATOM 287 O LEU A 18 -0.722 -4.034 0.977 1.00 0.00 O ATOM 288 CB LEU A 18 2.538 -4.134 1.636 1.00 0.00 C ATOM 289 CG LEU A 18 3.811 -3.936 2.464 1.00 0.00 C ATOM 290 CD1 LEU A 18 5.021 -3.717 1.562 1.00 0.00 C ATOM 291 CD2 LEU A 18 3.655 -2.800 3.476 1.00 0.00 C ATOM 0 H LEU A 18 1.986 -4.915 3.984 1.00 0.00 H new ATOM 0 HA LEU A 18 1.037 -2.783 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.518 -5.163 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.595 -3.490 0.758 1.00 0.00 H new ATOM 0 HG LEU A 18 3.980 -4.851 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.912 -3.579 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.156 -4.585 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.862 -2.830 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.578 -2.690 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.440 -1.870 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.835 -3.029 4.157 1.00 0.00 H new ATOM 303 N GLU A 19 -0.103 -5.855 2.153 1.00 0.00 N ATOM 304 CA GLU A 19 -1.194 -6.685 1.681 1.00 0.00 C ATOM 305 C GLU A 19 -2.533 -5.993 1.938 1.00 0.00 C ATOM 306 O GLU A 19 -3.489 -6.194 1.192 1.00 0.00 O ATOM 307 CB GLU A 19 -1.155 -8.065 2.339 1.00 0.00 C ATOM 308 CG GLU A 19 -1.749 -8.029 3.748 1.00 0.00 C ATOM 309 CD GLU A 19 -1.649 -9.399 4.418 1.00 0.00 C ATOM 310 OE1 GLU A 19 -1.171 -10.329 3.734 1.00 0.00 O ATOM 311 OE2 GLU A 19 -2.033 -9.478 5.605 1.00 0.00 O ATOM 0 H GLU A 19 0.534 -6.323 2.798 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.080 -6.828 0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.709 -8.777 1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.125 -8.418 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.224 -7.287 4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.793 -7.719 3.699 1.00 0.00 H new ATOM 318 N GLU A 20 -2.560 -5.176 2.982 1.00 0.00 N ATOM 319 CA GLU A 20 -3.767 -4.457 3.337 1.00 0.00 C ATOM 320 C GLU A 20 -3.919 -3.228 2.441 1.00 0.00 C ATOM 321 O GLU A 20 -5.035 -2.830 2.118 1.00 0.00 O ATOM 322 CB GLU A 20 -3.751 -4.068 4.817 1.00 0.00 C ATOM 323 CG GLU A 20 -5.056 -3.375 5.221 1.00 0.00 C ATOM 324 CD GLU A 20 -4.837 -2.411 6.382 1.00 0.00 C ATOM 325 OE1 GLU A 20 -4.530 -2.912 7.484 1.00 0.00 O ATOM 326 OE2 GLU A 20 -4.975 -1.194 6.138 1.00 0.00 O ATOM 0 H GLU A 20 -1.763 -4.998 3.593 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.628 -5.107 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.605 -4.958 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.908 -3.405 5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.461 -2.832 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.796 -4.124 5.503 1.00 0.00 H new ATOM 333 N LYS A 21 -2.791 -2.658 2.046 1.00 0.00 N ATOM 334 CA LYS A 21 -2.796 -1.470 1.209 1.00 0.00 C ATOM 335 C LYS A 21 -3.137 -1.885 -0.217 1.00 0.00 C ATOM 336 O LYS A 21 -4.084 -1.375 -0.808 1.00 0.00 O ATOM 337 CB LYS A 21 -1.470 -0.717 1.336 1.00 0.00 C ATOM 338 CG LYS A 21 -1.260 -0.207 2.763 1.00 0.00 C ATOM 339 CD LYS A 21 -2.148 1.006 3.051 1.00 0.00 C ATOM 340 CE LYS A 21 -1.484 2.287 2.547 1.00 0.00 C ATOM 341 NZ LYS A 21 -2.341 3.459 2.810 1.00 0.00 N ATOM 0 H LYS A 21 -1.862 -2.999 2.292 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.559 -0.764 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.647 -1.375 1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.457 0.123 0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.484 -1.003 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.214 0.062 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.117 0.878 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.333 1.083 4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.519 2.419 3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.290 2.205 1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.771 4.327 2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.104 3.496 2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.753 3.381 3.762 1.00 0.00 H new ATOM 355 N LYS A 22 -2.348 -2.807 -0.749 1.00 0.00 N ATOM 356 CA LYS A 22 -2.556 -3.291 -2.102 1.00 0.00 C ATOM 357 C LYS A 22 -4.040 -3.589 -2.309 1.00 0.00 C ATOM 358 O LYS A 22 -4.667 -3.027 -3.206 1.00 0.00 O ATOM 359 CB LYS A 22 -1.649 -4.491 -2.380 1.00 0.00 C ATOM 360 CG LYS A 22 -1.004 -4.369 -3.761 1.00 0.00 C ATOM 361 CD LYS A 22 -0.036 -5.524 -4.009 1.00 0.00 C ATOM 362 CE LYS A 22 -0.568 -6.459 -5.090 1.00 0.00 C ATOM 363 NZ LYS A 22 -1.072 -7.715 -4.479 1.00 0.00 N ATOM 0 H LYS A 22 -1.559 -3.233 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.278 -2.527 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.875 -4.554 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.228 -5.413 -2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.777 -4.364 -4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.473 -3.420 -3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.936 -5.131 -4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.117 -6.081 -3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.369 -5.968 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.222 -6.686 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.432 -8.344 -5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.298 -8.188 -3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.839 -7.493 -3.813 1.00 0.00 H new ATOM 377 N ARG A 23 -4.566 -4.469 -1.465 1.00 0.00 N ATOM 378 CA ARG A 23 -5.967 -4.838 -1.545 1.00 0.00 C ATOM 379 C ARG A 23 -6.846 -3.604 -1.363 1.00 0.00 C ATOM 380 O ARG A 23 -7.794 -3.415 -2.119 1.00 0.00 O ATOM 381 CB ARG A 23 -6.325 -5.880 -0.483 1.00 0.00 C ATOM 382 CG ARG A 23 -6.401 -5.247 0.907 1.00 0.00 C ATOM 383 CD ARG A 23 -6.611 -6.303 1.986 1.00 0.00 C ATOM 384 NE ARG A 23 -7.985 -6.830 1.906 1.00 0.00 N ATOM 385 CZ ARG A 23 -8.450 -7.814 2.677 1.00 0.00 C ATOM 386 NH1 ARG A 23 -7.657 -8.400 3.583 1.00 0.00 N ATOM 387 NH2 ARG A 23 -9.714 -8.216 2.534 1.00 0.00 N ATOM 0 H ARG A 23 -4.044 -4.936 -0.723 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.143 -5.271 -2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.282 -6.340 -0.729 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.579 -6.675 -0.483 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.483 -4.696 1.109 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.218 -4.526 0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.893 -7.113 1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.434 -5.871 2.971 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.618 -6.418 1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.689 -8.095 3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.021 -9.152 4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.315 -7.772 1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.079 -8.968 3.119 1.00 0.00 H new ATOM 401 N GLN A 24 -6.502 -2.791 -0.374 1.00 0.00 N ATOM 402 CA GLN A 24 -7.261 -1.592 -0.075 1.00 0.00 C ATOM 403 C GLN A 24 -7.596 -0.853 -1.364 1.00 0.00 C ATOM 404 O GLN A 24 -8.765 -0.636 -1.664 1.00 0.00 O ATOM 405 CB GLN A 24 -6.494 -0.681 0.883 1.00 0.00 C ATOM 406 CG GLN A 24 -7.023 -0.815 2.311 1.00 0.00 C ATOM 407 CD GLN A 24 -7.603 0.508 2.801 1.00 0.00 C ATOM 408 OE1 GLN A 24 -8.538 1.053 2.239 1.00 0.00 O ATOM 409 NE2 GLN A 24 -6.994 1.011 3.867 1.00 0.00 N ATOM 0 H GLN A 24 -5.698 -2.944 0.235 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.189 -1.885 0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.434 -0.933 0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.583 0.355 0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.789 -1.589 2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.218 -1.132 2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.216 0.508 4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.304 1.900 4.259 1.00 0.00 H new ATOM 418 N LEU A 25 -6.561 -0.482 -2.104 1.00 0.00 N ATOM 419 CA LEU A 25 -6.744 0.230 -3.357 1.00 0.00 C ATOM 420 C LEU A 25 -7.807 -0.480 -4.199 1.00 0.00 C ATOM 421 O LEU A 25 -8.743 0.141 -4.690 1.00 0.00 O ATOM 422 CB LEU A 25 -5.394 0.404 -4.064 1.00 0.00 C ATOM 423 CG LEU A 25 -5.463 0.918 -5.504 1.00 0.00 C ATOM 424 CD1 LEU A 25 -6.160 -0.082 -6.427 1.00 0.00 C ATOM 425 CD2 LEU A 25 -6.118 2.298 -5.557 1.00 0.00 C ATOM 0 H LEU A 25 -5.588 -0.663 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.118 1.238 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.784 1.094 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.878 -0.556 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.442 1.024 -5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.190 0.318 -7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.611 -1.023 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.177 -0.254 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.156 2.643 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.130 2.236 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.535 3.000 -4.961 1.00 0.00 H new ATOM 437 N MET A 26 -7.625 -1.771 -4.359 1.00 0.00 N ATOM 438 CA MET A 26 -8.527 -2.612 -5.113 1.00 0.00 C ATOM 439 C MET A 26 -9.897 -2.674 -4.436 1.00 0.00 C ATOM 440 O MET A 26 -10.904 -2.935 -5.089 1.00 0.00 O ATOM 441 CB MET A 26 -7.938 -4.017 -5.256 1.00 0.00 C ATOM 442 CG MET A 26 -9.037 -5.026 -5.508 1.00 0.00 C ATOM 443 SD MET A 26 -9.882 -4.677 -7.049 1.00 0.00 S ATOM 444 CE MET A 26 -11.516 -5.291 -6.666 1.00 0.00 C ATOM 0 H MET A 26 -6.832 -2.275 -3.962 1.00 0.00 H new ATOM 0 HA MET A 26 -8.656 -2.182 -6.106 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.222 -4.036 -6.078 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.392 -4.283 -4.351 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.614 -6.030 -5.539 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.751 -5.006 -4.684 1.00 0.00 H new ATOM 0 HE1 MET A 26 -12.264 -4.654 -7.139 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.619 -6.310 -7.039 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.664 -5.284 -5.586 1.00 0.00 H new ATOM 454 N GLU A 27 -9.900 -2.440 -3.134 1.00 0.00 N ATOM 455 CA GLU A 27 -11.129 -2.479 -2.365 1.00 0.00 C ATOM 456 C GLU A 27 -11.840 -1.129 -2.454 1.00 0.00 C ATOM 457 O GLU A 27 -13.067 -1.065 -2.469 1.00 0.00 O ATOM 458 CB GLU A 27 -10.849 -2.855 -0.909 1.00 0.00 C ATOM 459 CG GLU A 27 -10.052 -4.158 -0.819 1.00 0.00 C ATOM 460 CD GLU A 27 -10.892 -5.272 -0.205 1.00 0.00 C ATOM 461 OE1 GLU A 27 -11.559 -5.968 -1.002 1.00 0.00 O ATOM 462 OE2 GLU A 27 -10.840 -5.404 1.037 1.00 0.00 O ATOM 0 H GLU A 27 -9.066 -2.221 -2.590 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.781 -3.245 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.295 -2.052 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.791 -2.963 -0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.720 -4.455 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.157 -4.000 -0.218 1.00 0.00 H new ATOM 469 N LEU A 28 -11.047 -0.069 -2.529 1.00 0.00 N ATOM 470 CA LEU A 28 -11.587 1.275 -2.609 1.00 0.00 C ATOM 471 C LEU A 28 -12.214 1.471 -3.985 1.00 0.00 C ATOM 472 O LEU A 28 -13.358 1.905 -4.094 1.00 0.00 O ATOM 473 CB LEU A 28 -10.505 2.303 -2.273 1.00 0.00 C ATOM 474 CG LEU A 28 -10.443 2.755 -0.815 1.00 0.00 C ATOM 475 CD1 LEU A 28 -10.989 1.679 0.121 1.00 0.00 C ATOM 476 CD2 LEU A 28 -9.020 3.163 -0.438 1.00 0.00 C ATOM 0 H LEU A 28 -10.028 -0.117 -2.536 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.374 1.423 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.536 1.884 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.659 3.182 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.081 3.632 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.932 2.030 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.028 1.468 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.398 0.770 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.997 3.482 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.350 2.314 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.696 3.985 -1.076 1.00 0.00 H new ATOM 488 N ARG A 29 -11.451 1.131 -5.016 1.00 0.00 N ATOM 489 CA ARG A 29 -11.928 1.266 -6.381 1.00 0.00 C ATOM 490 C ARG A 29 -13.206 0.451 -6.577 1.00 0.00 C ATOM 491 O ARG A 29 -14.038 0.798 -7.413 1.00 0.00 O ATOM 492 CB ARG A 29 -10.868 0.796 -7.379 1.00 0.00 C ATOM 493 CG ARG A 29 -10.599 -0.703 -7.232 1.00 0.00 C ATOM 494 CD ARG A 29 -9.520 -1.167 -8.210 1.00 0.00 C ATOM 495 NE ARG A 29 -10.024 -1.083 -9.596 1.00 0.00 N ATOM 496 CZ ARG A 29 -9.257 -1.217 -10.684 1.00 0.00 C ATOM 497 NH1 ARG A 29 -7.949 -1.450 -10.549 1.00 0.00 N ATOM 498 NH2 ARG A 29 -9.803 -1.134 -11.900 1.00 0.00 N ATOM 0 H ARG A 29 -10.504 0.762 -4.931 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.137 2.320 -6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.200 1.011 -8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.944 1.352 -7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.287 -0.921 -6.211 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.519 -1.260 -7.410 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.629 -0.549 -8.100 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.228 -2.192 -7.982 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.020 -0.912 -9.732 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.538 -1.525 -9.619 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.361 -1.553 -11.376 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.805 -0.968 -11.999 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.218 -1.236 -12.730 1.00 0.00 H new ATOM 512 N PHE A 30 -13.324 -0.618 -5.800 1.00 0.00 N ATOM 513 CA PHE A 30 -14.484 -1.484 -5.876 1.00 0.00 C ATOM 514 C PHE A 30 -15.724 -0.784 -5.323 1.00 0.00 C ATOM 515 O PHE A 30 -16.841 -1.064 -5.755 1.00 0.00 O ATOM 516 CB PHE A 30 -14.181 -2.719 -5.027 1.00 0.00 C ATOM 517 CG PHE A 30 -15.399 -3.593 -4.746 1.00 0.00 C ATOM 518 CD1 PHE A 30 -15.887 -4.421 -5.719 1.00 0.00 C ATOM 519 CD2 PHE A 30 -16.008 -3.543 -3.523 1.00 0.00 C ATOM 520 CE1 PHE A 30 -17.034 -5.223 -5.476 1.00 0.00 C ATOM 521 CE2 PHE A 30 -17.138 -4.353 -3.267 1.00 0.00 C ATOM 522 CZ PHE A 30 -17.617 -5.173 -4.254 1.00 0.00 C ATOM 0 H PHE A 30 -12.628 -0.903 -5.111 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.684 -1.749 -6.914 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.425 -3.319 -5.534 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.750 -2.398 -4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.396 -4.465 -6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.627 -2.887 -2.755 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.434 -5.861 -6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.620 -4.325 -2.301 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.478 -5.793 -4.054 1.00 0.00 H new ATOM 532 N GLN A 31 -15.495 0.118 -4.379 1.00 0.00 N ATOM 533 CA GLN A 31 -16.580 0.858 -3.766 1.00 0.00 C ATOM 534 C GLN A 31 -17.126 1.890 -4.745 1.00 0.00 C ATOM 535 O GLN A 31 -18.332 1.960 -4.961 1.00 0.00 O ATOM 536 CB GLN A 31 -16.120 1.531 -2.474 1.00 0.00 C ATOM 537 CG GLN A 31 -16.110 0.532 -1.322 1.00 0.00 C ATOM 538 CD GLN A 31 -16.824 1.093 -0.089 1.00 0.00 C ATOM 539 OE1 GLN A 31 -16.613 2.225 0.316 1.00 0.00 O ATOM 540 NE2 GLN A 31 -17.671 0.250 0.490 1.00 0.00 N ATOM 0 H GLN A 31 -14.568 0.352 -4.024 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.377 0.158 -3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.122 1.947 -2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -16.783 2.363 -2.235 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.595 -0.392 -1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.081 0.281 -1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.805 -0.685 0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.188 0.537 1.321 1.00 0.00 H new ATOM 549 N LEU A 32 -16.224 2.681 -5.308 1.00 0.00 N ATOM 550 CA LEU A 32 -16.608 3.709 -6.256 1.00 0.00 C ATOM 551 C LEU A 32 -17.404 3.083 -7.397 1.00 0.00 C ATOM 552 O LEU A 32 -18.500 3.542 -7.706 1.00 0.00 O ATOM 553 CB LEU A 32 -15.384 4.492 -6.726 1.00 0.00 C ATOM 554 CG LEU A 32 -15.680 5.807 -7.446 1.00 0.00 C ATOM 555 CD1 LEU A 32 -16.090 6.902 -6.463 1.00 0.00 C ATOM 556 CD2 LEU A 32 -14.483 6.232 -8.286 1.00 0.00 C ATOM 0 H LEU A 32 -15.222 2.628 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.261 4.436 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.757 4.705 -5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.802 3.856 -7.393 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.525 5.646 -8.115 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.293 7.823 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.987 6.592 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.283 7.073 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.709 7.170 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.615 6.368 -7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.267 5.462 -9.027 1.00 0.00 H new ATOM 568 N ALA A 33 -16.827 2.044 -7.983 1.00 0.00 N ATOM 569 CA ALA A 33 -17.473 1.340 -9.075 1.00 0.00 C ATOM 570 C ALA A 33 -18.926 1.039 -8.701 1.00 0.00 C ATOM 571 O ALA A 33 -19.798 1.004 -9.566 1.00 0.00 O ATOM 572 CB ALA A 33 -16.682 0.070 -9.393 1.00 0.00 C ATOM 0 H ALA A 33 -15.914 1.672 -7.719 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.488 1.957 -9.974 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.163 -0.463 -10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.665 0.337 -9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.653 -0.571 -8.512 1.00 0.00 H new ATOM 578 N MET A 34 -19.149 0.827 -7.412 1.00 0.00 N ATOM 579 CA MET A 34 -20.482 0.545 -6.916 1.00 0.00 C ATOM 580 C MET A 34 -21.218 1.831 -6.550 1.00 0.00 C ATOM 581 O MET A 34 -22.432 1.916 -6.714 1.00 0.00 O ATOM 582 CB MET A 34 -20.382 -0.357 -5.686 1.00 0.00 C ATOM 583 CG MET A 34 -20.380 -1.830 -6.090 1.00 0.00 C ATOM 584 SD MET A 34 -21.960 -2.563 -5.688 1.00 0.00 S ATOM 585 CE MET A 34 -22.876 -2.150 -7.169 1.00 0.00 C ATOM 0 H MET A 34 -18.424 0.845 -6.695 1.00 0.00 H new ATOM 0 HA MET A 34 -21.045 0.044 -7.703 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.471 -0.126 -5.134 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.219 -0.160 -5.017 1.00 0.00 H new ATOM 0 HG2 MET A 34 -20.185 -1.924 -7.158 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.580 -2.359 -5.572 1.00 0.00 H new ATOM 0 HE1 MET A 34 -23.835 -2.667 -7.160 1.00 0.00 H new ATOM 0 HE2 MET A 34 -23.045 -1.074 -7.204 1.00 0.00 H new ATOM 0 HE3 MET A 34 -22.307 -2.457 -8.046 1.00 0.00 H new ATOM 595 N GLY A 35 -20.463 2.801 -6.055 1.00 0.00 N ATOM 596 CA GLY A 35 -21.034 4.076 -5.655 1.00 0.00 C ATOM 597 C GLY A 35 -21.054 4.219 -4.140 1.00 0.00 C ATOM 598 O GLY A 35 -22.058 4.633 -3.578 1.00 0.00 O ATOM 0 H GLY A 35 -19.454 2.728 -5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.455 4.890 -6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.048 4.161 -6.044 1.00 0.00 H new ATOM 602 N GLN A 36 -19.943 3.862 -3.509 1.00 0.00 N ATOM 603 CA GLN A 36 -19.846 3.933 -2.062 1.00 0.00 C ATOM 604 C GLN A 36 -18.685 4.838 -1.657 1.00 0.00 C ATOM 605 O GLN A 36 -18.781 5.579 -0.681 1.00 0.00 O ATOM 606 CB GLN A 36 -19.687 2.537 -1.455 1.00 0.00 C ATOM 607 CG GLN A 36 -20.473 1.491 -2.248 1.00 0.00 C ATOM 608 CD GLN A 36 -21.968 1.602 -1.967 1.00 0.00 C ATOM 609 OE1 GLN A 36 -22.404 1.808 -0.849 1.00 0.00 O ATOM 610 NE2 GLN A 36 -22.734 1.447 -3.036 1.00 0.00 N ATOM 0 H GLN A 36 -19.102 3.522 -3.976 1.00 0.00 H new ATOM 0 HA GLN A 36 -20.771 4.360 -1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -18.632 2.265 -1.437 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.032 2.547 -0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -20.289 1.624 -3.314 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.123 0.492 -1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -22.309 1.277 -3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -23.749 1.498 -2.948 1.00 0.00 H new ATOM 619 N LEU A 37 -17.599 4.744 -2.417 1.00 0.00 N ATOM 620 CA LEU A 37 -16.419 5.545 -2.148 1.00 0.00 C ATOM 621 C LEU A 37 -16.839 6.996 -1.906 1.00 0.00 C ATOM 622 O LEU A 37 -17.965 7.383 -2.211 1.00 0.00 O ATOM 623 CB LEU A 37 -15.399 5.385 -3.277 1.00 0.00 C ATOM 624 CG LEU A 37 -13.935 5.597 -2.884 1.00 0.00 C ATOM 625 CD1 LEU A 37 -13.016 4.675 -3.685 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.531 7.064 -3.036 1.00 0.00 C ATOM 0 H LEU A 37 -17.515 4.122 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.921 5.199 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.502 4.384 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.649 6.090 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.826 5.337 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.981 4.845 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.284 3.636 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.127 4.885 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.486 7.185 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.661 7.372 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.157 7.682 -2.393 1.00 0.00 H new ATOM 638 N LYS A 38 -15.906 7.775 -1.379 1.00 0.00 N ATOM 639 CA LYS A 38 -16.169 9.173 -1.093 1.00 0.00 C ATOM 640 C LYS A 38 -15.141 10.031 -1.819 1.00 0.00 C ATOM 641 O LYS A 38 -14.177 10.497 -1.218 1.00 0.00 O ATOM 642 CB LYS A 38 -16.200 9.412 0.415 1.00 0.00 C ATOM 643 CG LYS A 38 -17.296 10.411 0.786 1.00 0.00 C ATOM 644 CD LYS A 38 -17.059 10.984 2.187 1.00 0.00 C ATOM 645 CE LYS A 38 -18.372 11.135 2.941 1.00 0.00 C ATOM 646 NZ LYS A 38 -19.100 12.299 2.444 1.00 0.00 N ATOM 0 H LYS A 38 -14.964 7.462 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.153 9.460 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.371 8.469 0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.232 9.787 0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.319 11.220 0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.269 9.921 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.389 10.329 2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.566 11.953 2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.977 10.237 2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.178 11.245 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.996 12.396 2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.525 13.154 2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.299 12.177 1.431 1.00 0.00 H new ATOM 660 N ASN A 39 -15.374 10.218 -3.110 1.00 0.00 N ATOM 661 CA ASN A 39 -14.486 11.023 -3.929 1.00 0.00 C ATOM 662 C ASN A 39 -13.222 10.224 -4.237 1.00 0.00 C ATOM 663 O ASN A 39 -12.514 9.796 -3.328 1.00 0.00 O ATOM 664 CB ASN A 39 -14.082 12.311 -3.217 1.00 0.00 C ATOM 665 CG ASN A 39 -14.367 13.526 -4.087 1.00 0.00 C ATOM 666 OD1 ASN A 39 -15.371 14.200 -3.945 1.00 0.00 O ATOM 667 ND2 ASN A 39 -13.436 13.780 -4.996 1.00 0.00 N ATOM 0 H ASN A 39 -16.170 9.823 -3.610 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.017 11.281 -4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.626 12.397 -2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.021 12.277 -2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.540 14.577 -5.624 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.615 13.179 -5.067 1.00 0.00 H new ATOM 674 N THR A 40 -12.967 10.044 -5.523 1.00 0.00 N ATOM 675 CA THR A 40 -11.796 9.293 -5.958 1.00 0.00 C ATOM 676 C THR A 40 -10.531 9.884 -5.341 1.00 0.00 C ATOM 677 O THR A 40 -9.553 9.170 -5.132 1.00 0.00 O ATOM 678 CB THR A 40 -11.770 9.305 -7.486 1.00 0.00 C ATOM 679 OG1 THR A 40 -11.536 10.667 -7.830 1.00 0.00 O ATOM 680 CG2 THR A 40 -13.132 8.992 -8.102 1.00 0.00 C ATOM 0 H THR A 40 -13.549 10.404 -6.280 1.00 0.00 H new ATOM 0 HA THR A 40 -11.844 8.258 -5.620 1.00 0.00 H new ATOM 0 HB THR A 40 -11.039 8.575 -7.834 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.504 10.757 -8.805 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.054 9.014 -9.189 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.457 8.002 -7.782 1.00 0.00 H new ATOM 0 HG23 THR A 40 -13.859 9.736 -7.775 1.00 0.00 H new ATOM 688 N SER A 41 -10.585 11.181 -5.062 1.00 0.00 N ATOM 689 CA SER A 41 -9.462 11.869 -4.456 1.00 0.00 C ATOM 690 C SER A 41 -8.814 10.988 -3.393 1.00 0.00 C ATOM 691 O SER A 41 -7.592 10.997 -3.252 1.00 0.00 O ATOM 692 CB SER A 41 -9.901 13.203 -3.846 1.00 0.00 C ATOM 693 OG SER A 41 -9.940 14.241 -4.817 1.00 0.00 O ATOM 0 H SER A 41 -11.395 11.773 -5.247 1.00 0.00 H new ATOM 0 HA SER A 41 -8.729 12.077 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.887 13.090 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.215 13.480 -3.046 1.00 0.00 H new ATOM 0 HG SER A 41 -10.226 15.076 -4.392 1.00 0.00 H new ATOM 699 N LEU A 42 -9.650 10.233 -2.692 1.00 0.00 N ATOM 700 CA LEU A 42 -9.171 9.340 -1.657 1.00 0.00 C ATOM 701 C LEU A 42 -8.302 8.255 -2.289 1.00 0.00 C ATOM 702 O LEU A 42 -7.171 8.046 -1.863 1.00 0.00 O ATOM 703 CB LEU A 42 -10.347 8.788 -0.851 1.00 0.00 C ATOM 704 CG LEU A 42 -9.968 8.012 0.411 1.00 0.00 C ATOM 705 CD1 LEU A 42 -11.164 7.909 1.357 1.00 0.00 C ATOM 706 CD2 LEU A 42 -9.398 6.640 0.058 1.00 0.00 C ATOM 0 H LEU A 42 -10.661 10.224 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.544 9.878 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.993 9.619 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.934 8.135 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.183 8.559 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.875 7.354 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.490 8.909 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.981 7.390 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.136 6.108 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.143 6.067 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.507 6.764 -0.557 1.00 0.00 H new ATOM 718 N ILE A 43 -8.854 7.582 -3.288 1.00 0.00 N ATOM 719 CA ILE A 43 -8.137 6.529 -3.982 1.00 0.00 C ATOM 720 C ILE A 43 -6.763 7.044 -4.391 1.00 0.00 C ATOM 721 O ILE A 43 -5.751 6.493 -3.964 1.00 0.00 O ATOM 722 CB ILE A 43 -8.960 6.003 -5.160 1.00 0.00 C ATOM 723 CG1 ILE A 43 -9.805 4.801 -4.733 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.062 5.678 -6.357 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.022 3.497 -4.881 1.00 0.00 C ATOM 0 H ILE A 43 -9.799 7.749 -3.635 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.983 5.677 -3.320 1.00 0.00 H new ATOM 0 HB ILE A 43 -9.646 6.787 -5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.120 4.924 -3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.710 4.756 -5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.673 5.306 -7.180 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.537 6.579 -6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.336 4.917 -6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.647 2.660 -4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.729 3.364 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.130 3.535 -4.256 1.00 0.00 H new ATOM 737 N LYS A 44 -6.752 8.077 -5.220 1.00 0.00 N ATOM 738 CA LYS A 44 -5.506 8.655 -5.686 1.00 0.00 C ATOM 739 C LYS A 44 -4.547 8.803 -4.503 1.00 0.00 C ATOM 740 O LYS A 44 -3.346 8.570 -4.641 1.00 0.00 O ATOM 741 CB LYS A 44 -5.778 9.964 -6.428 1.00 0.00 C ATOM 742 CG LYS A 44 -4.624 10.950 -6.241 1.00 0.00 C ATOM 743 CD LYS A 44 -3.293 10.333 -6.670 1.00 0.00 C ATOM 744 CE LYS A 44 -2.178 10.676 -5.675 1.00 0.00 C ATOM 745 NZ LYS A 44 -1.609 12.008 -5.971 1.00 0.00 N ATOM 0 H LYS A 44 -7.591 8.530 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.020 7.998 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.920 9.762 -7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.704 10.408 -6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.814 11.851 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.567 11.253 -5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.398 9.251 -6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.024 10.696 -7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.572 10.661 -4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.394 9.920 -5.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.856 12.223 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.215 12.011 -6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.356 12.728 -5.901 1.00 0.00 H new ATOM 759 N LEU A 45 -5.105 9.184 -3.363 1.00 0.00 N ATOM 760 CA LEU A 45 -4.310 9.356 -2.163 1.00 0.00 C ATOM 761 C LEU A 45 -3.888 7.987 -1.627 1.00 0.00 C ATOM 762 O LEU A 45 -2.753 7.811 -1.193 1.00 0.00 O ATOM 763 CB LEU A 45 -5.072 10.199 -1.145 1.00 0.00 C ATOM 764 CG LEU A 45 -4.903 11.712 -1.271 1.00 0.00 C ATOM 765 CD1 LEU A 45 -5.635 12.425 -0.136 1.00 0.00 C ATOM 766 CD2 LEU A 45 -3.424 12.097 -1.328 1.00 0.00 C ATOM 0 H LEU A 45 -6.100 9.378 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.394 9.903 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.133 9.963 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.757 9.900 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.352 12.036 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.505 13.502 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.697 12.182 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.226 12.101 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.333 13.179 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.926 11.765 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.957 11.621 -2.190 1.00 0.00 H new ATOM 778 N THR A 46 -4.808 7.037 -1.689 1.00 0.00 N ATOM 779 CA THR A 46 -4.543 5.691 -1.225 1.00 0.00 C ATOM 780 C THR A 46 -3.564 4.991 -2.161 1.00 0.00 C ATOM 781 O THR A 46 -2.713 4.232 -1.709 1.00 0.00 O ATOM 782 CB THR A 46 -5.880 4.963 -1.082 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.373 5.357 0.189 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.716 3.449 -0.968 1.00 0.00 C ATOM 0 H THR A 46 -5.748 7.178 -2.059 1.00 0.00 H new ATOM 0 HA THR A 46 -4.060 5.698 -0.248 1.00 0.00 H new ATOM 0 HB THR A 46 -6.504 5.197 -1.945 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.922 4.637 0.564 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.696 2.983 -0.869 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.222 3.068 -1.862 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.112 3.213 -0.092 1.00 0.00 H new ATOM 792 N LYS A 47 -3.701 5.268 -3.449 1.00 0.00 N ATOM 793 CA LYS A 47 -2.845 4.671 -4.453 1.00 0.00 C ATOM 794 C LYS A 47 -1.409 5.124 -4.213 1.00 0.00 C ATOM 795 O LYS A 47 -0.533 4.285 -4.058 1.00 0.00 O ATOM 796 CB LYS A 47 -3.353 5.000 -5.854 1.00 0.00 C ATOM 797 CG LYS A 47 -2.457 4.372 -6.923 1.00 0.00 C ATOM 798 CD LYS A 47 -2.865 2.931 -7.214 1.00 0.00 C ATOM 799 CE LYS A 47 -2.118 2.392 -8.432 1.00 0.00 C ATOM 800 NZ LYS A 47 -2.537 1.004 -8.715 1.00 0.00 N ATOM 0 H LYS A 47 -4.403 5.907 -3.821 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.866 3.584 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.374 4.635 -5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.384 6.081 -5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.514 4.960 -7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.419 4.398 -6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.654 2.306 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.940 2.881 -7.389 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.317 3.023 -9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.043 2.426 -8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.022 0.648 -9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.325 0.403 -7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.559 0.982 -8.906 1.00 0.00 H new ATOM 814 N ARG A 48 -1.212 6.433 -4.170 1.00 0.00 N ATOM 815 CA ARG A 48 0.111 6.993 -3.940 1.00 0.00 C ATOM 816 C ARG A 48 0.812 6.249 -2.807 1.00 0.00 C ATOM 817 O ARG A 48 2.033 6.102 -2.823 1.00 0.00 O ATOM 818 CB ARG A 48 0.027 8.483 -3.612 1.00 0.00 C ATOM 819 CG ARG A 48 0.028 8.709 -2.101 1.00 0.00 C ATOM 820 CD ARG A 48 -0.437 10.121 -1.753 1.00 0.00 C ATOM 821 NE ARG A 48 0.673 11.077 -1.941 1.00 0.00 N ATOM 822 CZ ARG A 48 1.691 11.219 -1.082 1.00 0.00 C ATOM 823 NH1 ARG A 48 1.742 10.473 0.025 1.00 0.00 N ATOM 824 NH2 ARG A 48 2.662 12.104 -1.336 1.00 0.00 N ATOM 0 H ARG A 48 -1.950 7.126 -4.291 1.00 0.00 H new ATOM 0 HA ARG A 48 0.690 6.875 -4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.870 9.007 -4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.879 8.905 -4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.625 7.980 -1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.031 8.546 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.280 10.401 -2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.786 10.154 -0.721 1.00 0.00 H new ATOM 0 HE ARG A 48 0.664 11.664 -2.775 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.005 9.794 0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.518 10.582 0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.627 12.670 -2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.437 12.212 -0.682 1.00 0.00 H new ATOM 838 N ASP A 49 0.013 5.806 -1.847 1.00 0.00 N ATOM 839 CA ASP A 49 0.536 5.094 -0.701 1.00 0.00 C ATOM 840 C ASP A 49 0.606 3.609 -1.034 1.00 0.00 C ATOM 841 O ASP A 49 1.514 2.913 -0.592 1.00 0.00 O ATOM 842 CB ASP A 49 -0.374 5.269 0.516 1.00 0.00 C ATOM 843 CG ASP A 49 0.169 6.210 1.590 1.00 0.00 C ATOM 844 OD1 ASP A 49 1.316 6.679 1.418 1.00 0.00 O ATOM 845 OD2 ASP A 49 -0.580 6.433 2.563 1.00 0.00 O ATOM 0 H ASP A 49 -0.999 5.929 -1.843 1.00 0.00 H new ATOM 0 HA ASP A 49 1.523 5.493 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.340 5.644 0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.550 4.291 0.964 1.00 0.00 H new ATOM 850 N ILE A 50 -0.349 3.145 -1.822 1.00 0.00 N ATOM 851 CA ILE A 50 -0.401 1.754 -2.219 1.00 0.00 C ATOM 852 C ILE A 50 0.801 1.449 -3.102 1.00 0.00 C ATOM 853 O ILE A 50 1.487 0.461 -2.879 1.00 0.00 O ATOM 854 CB ILE A 50 -1.742 1.434 -2.882 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.571 0.501 -2.001 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.552 0.866 -4.290 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.553 1.288 -1.134 1.00 0.00 C ATOM 0 H ILE A 50 -1.103 3.719 -2.200 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.341 1.103 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.295 2.367 -2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.118 -0.204 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.909 -0.086 -1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.526 0.651 -4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.028 1.594 -4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.967 -0.052 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.129 0.597 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.002 1.974 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.230 1.855 -1.774 1.00 0.00 H new ATOM 869 N ALA A 51 1.030 2.292 -4.095 1.00 0.00 N ATOM 870 CA ALA A 51 2.136 2.108 -5.010 1.00 0.00 C ATOM 871 C ALA A 51 3.442 2.213 -4.232 1.00 0.00 C ATOM 872 O ALA A 51 4.426 1.591 -4.617 1.00 0.00 O ATOM 873 CB ALA A 51 2.040 3.138 -6.131 1.00 0.00 C ATOM 0 H ALA A 51 0.458 3.115 -4.286 1.00 0.00 H new ATOM 0 HA ALA A 51 2.102 1.121 -5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.872 3.002 -6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.099 3.007 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.080 4.142 -5.707 1.00 0.00 H new ATOM 879 N ARG A 52 3.420 2.993 -3.160 1.00 0.00 N ATOM 880 CA ARG A 52 4.597 3.171 -2.330 1.00 0.00 C ATOM 881 C ARG A 52 4.758 1.993 -1.369 1.00 0.00 C ATOM 882 O ARG A 52 5.832 1.405 -1.273 1.00 0.00 O ATOM 883 CB ARG A 52 4.502 4.473 -1.532 1.00 0.00 C ATOM 884 CG ARG A 52 5.831 4.792 -0.847 1.00 0.00 C ATOM 885 CD ARG A 52 5.891 4.195 0.556 1.00 0.00 C ATOM 886 NE ARG A 52 6.364 5.211 1.521 1.00 0.00 N ATOM 887 CZ ARG A 52 7.619 5.670 1.577 1.00 0.00 C ATOM 888 NH1 ARG A 52 8.539 5.217 0.716 1.00 0.00 N ATOM 889 NH2 ARG A 52 7.960 6.586 2.487 1.00 0.00 N ATOM 0 H ARG A 52 2.599 3.511 -2.847 1.00 0.00 H new ATOM 0 HA ARG A 52 5.467 3.219 -2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.225 5.292 -2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.714 4.389 -0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.654 4.401 -1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.963 5.873 -0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.905 3.835 0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.560 3.334 0.565 1.00 0.00 H new ATOM 0 HE ARG A 52 5.689 5.586 2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.283 4.521 0.016 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.496 5.568 0.760 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.262 6.938 3.143 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.918 6.934 2.527 1.00 0.00 H new ATOM 903 N ILE A 53 3.685 1.679 -0.663 1.00 0.00 N ATOM 904 CA ILE A 53 3.682 0.594 0.295 1.00 0.00 C ATOM 905 C ILE A 53 3.835 -0.721 -0.458 1.00 0.00 C ATOM 906 O ILE A 53 4.704 -1.524 -0.134 1.00 0.00 O ATOM 907 CB ILE A 53 2.427 0.659 1.171 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.568 1.737 2.251 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.111 -0.711 1.764 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.595 2.887 2.026 1.00 0.00 C ATOM 0 H ILE A 53 2.794 2.170 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 53 4.524 0.678 0.982 1.00 0.00 H new ATOM 0 HB ILE A 53 1.581 0.943 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.390 1.296 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.589 2.119 2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.216 -0.642 2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.941 -1.426 0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.950 -1.045 2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.724 3.632 2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.790 3.345 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.573 2.509 2.049 1.00 0.00 H new ATOM 922 N LYS A 54 2.989 -0.913 -1.460 1.00 0.00 N ATOM 923 CA LYS A 54 3.033 -2.115 -2.267 1.00 0.00 C ATOM 924 C LYS A 54 4.410 -2.240 -2.914 1.00 0.00 C ATOM 925 O LYS A 54 4.769 -3.313 -3.387 1.00 0.00 O ATOM 926 CB LYS A 54 1.873 -2.144 -3.263 1.00 0.00 C ATOM 927 CG LYS A 54 2.233 -1.394 -4.548 1.00 0.00 C ATOM 928 CD LYS A 54 2.928 -2.313 -5.547 1.00 0.00 C ATOM 929 CE LYS A 54 2.204 -2.308 -6.887 1.00 0.00 C ATOM 930 NZ LYS A 54 3.177 -2.148 -7.982 1.00 0.00 N ATOM 0 H LYS A 54 2.264 -0.248 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 54 2.896 -2.997 -1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.619 -3.177 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.989 -1.694 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.329 -0.982 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.884 -0.552 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.960 -1.991 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.961 -3.328 -5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.650 -3.238 -7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.476 -1.497 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.676 -2.145 -8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.687 -1.249 -7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.855 -2.936 -7.962 1.00 0.00 H new ATOM 944 N THR A 55 5.138 -1.135 -2.935 1.00 0.00 N ATOM 945 CA THR A 55 6.464 -1.114 -3.518 1.00 0.00 C ATOM 946 C THR A 55 7.494 -1.625 -2.517 1.00 0.00 C ATOM 947 O THR A 55 8.380 -2.391 -2.885 1.00 0.00 O ATOM 948 CB THR A 55 6.748 0.307 -3.999 1.00 0.00 C ATOM 949 OG1 THR A 55 6.342 0.291 -5.360 1.00 0.00 O ATOM 950 CG2 THR A 55 8.239 0.635 -4.037 1.00 0.00 C ATOM 0 H THR A 55 4.830 -0.241 -2.553 1.00 0.00 H new ATOM 0 HA THR A 55 6.526 -1.784 -4.376 1.00 0.00 H new ATOM 0 HB THR A 55 6.252 1.022 -3.342 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.507 0.794 -5.458 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.378 1.658 -4.387 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.660 0.533 -3.037 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.746 -0.052 -4.715 1.00 0.00 H new ATOM 958 N ILE A 56 7.349 -1.192 -1.273 1.00 0.00 N ATOM 959 CA ILE A 56 8.257 -1.605 -0.221 1.00 0.00 C ATOM 960 C ILE A 56 8.450 -3.117 -0.282 1.00 0.00 C ATOM 961 O ILE A 56 9.580 -3.596 -0.257 1.00 0.00 O ATOM 962 CB ILE A 56 7.766 -1.104 1.140 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.141 0.365 1.346 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.284 -1.990 2.275 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.557 0.491 1.912 1.00 0.00 C ATOM 0 H ILE A 56 6.611 -0.556 -0.971 1.00 0.00 H new ATOM 0 HA ILE A 56 9.237 -1.152 -0.368 1.00 0.00 H new ATOM 0 HB ILE A 56 6.678 -1.169 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.075 0.898 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.430 0.835 2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.919 -1.610 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.929 -3.010 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.374 -1.982 2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.801 1.544 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.612 -0.023 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.267 0.042 1.218 1.00 0.00 H new ATOM 977 N LEU A 57 7.337 -3.831 -0.357 1.00 0.00 N ATOM 978 CA LEU A 57 7.372 -5.278 -0.428 1.00 0.00 C ATOM 979 C LEU A 57 8.225 -5.700 -1.621 1.00 0.00 C ATOM 980 O LEU A 57 9.153 -6.489 -1.471 1.00 0.00 O ATOM 981 CB LEU A 57 5.952 -5.847 -0.462 1.00 0.00 C ATOM 982 CG LEU A 57 5.806 -7.249 -1.049 1.00 0.00 C ATOM 983 CD1 LEU A 57 6.792 -8.215 -0.398 1.00 0.00 C ATOM 984 CD2 LEU A 57 4.365 -7.746 -0.923 1.00 0.00 C ATOM 0 H LEU A 57 6.400 -3.429 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 57 7.838 -5.693 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.562 -5.859 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.323 -5.167 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 57 6.044 -7.202 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.670 -9.207 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.810 -7.867 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.601 -8.262 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.287 -8.747 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.081 -7.775 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.699 -7.071 -1.460 1.00 0.00 H new ATOM 996 N ARG A 58 7.904 -5.152 -2.783 1.00 0.00 N ATOM 997 CA ARG A 58 8.639 -5.466 -3.993 1.00 0.00 C ATOM 998 C ARG A 58 10.131 -5.214 -3.788 1.00 0.00 C ATOM 999 O ARG A 58 10.968 -5.944 -4.306 1.00 0.00 O ATOM 1000 CB ARG A 58 8.144 -4.624 -5.169 1.00 0.00 C ATOM 1001 CG ARG A 58 7.546 -5.520 -6.268 1.00 0.00 C ATOM 1002 CD ARG A 58 8.605 -6.430 -6.878 1.00 0.00 C ATOM 1003 NE ARG A 58 8.365 -6.582 -8.327 1.00 0.00 N ATOM 1004 CZ ARG A 58 7.412 -7.361 -8.851 1.00 0.00 C ATOM 1005 NH1 ARG A 58 6.601 -8.057 -8.047 1.00 0.00 N ATOM 1006 NH2 ARG A 58 7.272 -7.439 -10.179 1.00 0.00 N ATOM 0 H ARG A 58 7.140 -4.489 -2.911 1.00 0.00 H new ATOM 0 HA ARG A 58 8.474 -6.520 -4.218 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.393 -3.914 -4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.969 -4.041 -5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.741 -6.125 -5.849 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.105 -4.898 -7.047 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.597 -6.013 -6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.582 -7.406 -6.393 1.00 0.00 H new ATOM 0 HE ARG A 58 8.963 -6.061 -8.968 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.709 -7.994 -7.035 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.874 -8.651 -8.446 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.891 -6.905 -10.789 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.546 -8.032 -10.581 1.00 0.00 H new ATOM 1020 N GLU A 59 10.431 -4.171 -3.035 1.00 0.00 N ATOM 1021 CA GLU A 59 11.809 -3.811 -2.752 1.00 0.00 C ATOM 1022 C GLU A 59 12.503 -4.934 -1.989 1.00 0.00 C ATOM 1023 O GLU A 59 13.681 -5.205 -2.208 1.00 0.00 O ATOM 1024 CB GLU A 59 11.886 -2.495 -1.981 1.00 0.00 C ATOM 1025 CG GLU A 59 11.139 -1.381 -2.718 1.00 0.00 C ATOM 1026 CD GLU A 59 12.065 -0.208 -3.021 1.00 0.00 C ATOM 1027 OE1 GLU A 59 12.661 0.308 -2.048 1.00 0.00 O ATOM 1028 OE2 GLU A 59 12.164 0.157 -4.212 1.00 0.00 O ATOM 0 H GLU A 59 9.737 -3.557 -2.608 1.00 0.00 H new ATOM 0 HA GLU A 59 12.328 -3.667 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.460 -2.627 -0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.929 -2.210 -1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.724 -1.770 -3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.300 -1.039 -2.112 1.00 0.00 H new ATOM 1035 N ARG A 60 11.750 -5.568 -1.106 1.00 0.00 N ATOM 1036 CA ARG A 60 12.275 -6.666 -0.315 1.00 0.00 C ATOM 1037 C ARG A 60 11.936 -8.000 -0.976 1.00 0.00 C ATOM 1038 O ARG A 60 12.298 -9.049 -0.452 1.00 0.00 O ATOM 1039 CB ARG A 60 11.732 -6.637 1.103 1.00 0.00 C ATOM 1040 CG ARG A 60 10.206 -6.506 1.099 1.00 0.00 C ATOM 1041 CD ARG A 60 9.632 -6.693 2.503 1.00 0.00 C ATOM 1042 NE ARG A 60 10.623 -6.290 3.523 1.00 0.00 N ATOM 1043 CZ ARG A 60 11.039 -5.032 3.713 1.00 0.00 C ATOM 1044 NH1 ARG A 60 10.546 -4.042 2.960 1.00 0.00 N ATOM 1045 NH2 ARG A 60 11.952 -4.762 4.650 1.00 0.00 N ATOM 0 H ARG A 60 10.773 -5.341 -0.919 1.00 0.00 H new ATOM 0 HA ARG A 60 13.358 -6.553 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.022 -7.548 1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.172 -5.802 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.923 -5.526 0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.776 -7.248 0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.725 -6.099 2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.351 -7.736 2.652 1.00 0.00 H new ATOM 0 HE ARG A 60 11.015 -7.018 4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.852 -4.246 2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.864 -3.084 3.106 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.334 -5.515 5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.268 -3.803 4.793 1.00 0.00 H new ATOM 1059 N GLU A 61 11.259 -7.930 -2.109 1.00 0.00 N ATOM 1060 CA GLU A 61 10.861 -9.125 -2.821 1.00 0.00 C ATOM 1061 C GLU A 61 12.074 -9.732 -3.514 1.00 0.00 C ATOM 1062 O GLU A 61 12.341 -10.924 -3.346 1.00 0.00 O ATOM 1063 CB GLU A 61 9.739 -8.825 -3.819 1.00 0.00 C ATOM 1064 CG GLU A 61 8.367 -8.888 -3.153 1.00 0.00 C ATOM 1065 CD GLU A 61 7.304 -9.418 -4.114 1.00 0.00 C ATOM 1066 OE1 GLU A 61 7.414 -10.606 -4.482 1.00 0.00 O ATOM 1067 OE2 GLU A 61 6.421 -8.614 -4.487 1.00 0.00 O ATOM 0 H GLU A 61 10.975 -7.057 -2.553 1.00 0.00 H new ATOM 0 HA GLU A 61 10.468 -9.849 -2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.890 -7.836 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.780 -9.541 -4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.417 -9.530 -2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.083 -7.894 -2.806 1.00 0.00 H new ATOM 1074 N LEU A 62 12.793 -8.900 -4.253 1.00 0.00 N ATOM 1075 CA LEU A 62 13.955 -9.362 -4.989 1.00 0.00 C ATOM 1076 C LEU A 62 15.183 -9.237 -4.094 1.00 0.00 C ATOM 1077 O LEU A 62 15.847 -10.224 -3.793 1.00 0.00 O ATOM 1078 CB LEU A 62 14.092 -8.606 -6.313 1.00 0.00 C ATOM 1079 CG LEU A 62 12.793 -8.059 -6.908 1.00 0.00 C ATOM 1080 CD1 LEU A 62 11.603 -8.968 -6.594 1.00 0.00 C ATOM 1081 CD2 LEU A 62 12.549 -6.624 -6.445 1.00 0.00 C ATOM 0 H LEU A 62 12.591 -7.906 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 62 13.844 -10.412 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.780 -7.773 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.551 -9.272 -7.043 1.00 0.00 H new ATOM 0 HG LEU A 62 12.900 -8.044 -7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.698 -8.547 -7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.782 -9.959 -7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.480 -9.046 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.620 -6.254 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.476 -6.600 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.377 -5.992 -6.767 1.00 0.00 H new ATOM 1093 N GLY A 63 15.467 -8.011 -3.681 1.00 0.00 N ATOM 1094 CA GLY A 63 16.609 -7.752 -2.823 1.00 0.00 C ATOM 1095 C GLY A 63 17.072 -6.304 -2.954 1.00 0.00 C ATOM 1096 O GLY A 63 18.268 -6.033 -3.019 1.00 0.00 O ATOM 0 H GLY A 63 14.923 -7.184 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.345 -7.961 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.426 -8.424 -3.085 1.00 0.00 H new ATOM 1100 N ILE A 64 16.104 -5.400 -2.984 1.00 0.00 N ATOM 1101 CA ILE A 64 16.398 -3.984 -3.094 1.00 0.00 C ATOM 1102 C ILE A 64 16.599 -3.398 -1.699 1.00 0.00 C ATOM 1103 O ILE A 64 17.114 -2.291 -1.551 1.00 0.00 O ATOM 1104 CB ILE A 64 15.311 -3.277 -3.907 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.347 -3.730 -5.368 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.421 -1.758 -3.775 1.00 0.00 C ATOM 1107 CD1 ILE A 64 16.545 -3.123 -6.096 1.00 0.00 C ATOM 0 H ILE A 64 15.110 -5.624 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 64 17.328 -3.829 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 64 14.340 -3.561 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.401 -4.818 -5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.424 -3.435 -5.868 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.636 -1.284 -4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.311 -1.475 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.395 -1.431 -4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 64 16.549 -3.459 -7.133 1.00 0.00 H new ATOM 0 HD12 ILE A 64 16.475 -2.036 -6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.466 -3.440 -5.608 1.00 0.00 H new ATOM 1119 N ARG A 65 16.185 -4.160 -0.697 1.00 0.00 N ATOM 1120 CA ARG A 65 16.313 -3.723 0.678 1.00 0.00 C ATOM 1121 C ARG A 65 16.775 -4.887 1.554 1.00 0.00 C ATOM 1122 O ARG A 65 16.378 -4.963 2.728 1.00 0.00 O ATOM 1123 CB ARG A 65 14.985 -3.178 1.214 1.00 0.00 C ATOM 1124 CG ARG A 65 14.440 -2.073 0.310 1.00 0.00 C ATOM 1125 CD ARG A 65 15.008 -0.713 0.706 1.00 0.00 C ATOM 1126 NE ARG A 65 14.295 -0.180 1.882 1.00 0.00 N ATOM 1127 CZ ARG A 65 14.665 0.915 2.554 1.00 0.00 C ATOM 1128 NH1 ARG A 65 15.733 1.616 2.156 1.00 0.00 N ATOM 1129 NH2 ARG A 65 13.966 1.313 3.625 1.00 0.00 N ATOM 0 H ARG A 65 15.760 -5.080 -0.813 1.00 0.00 H new ATOM 0 HA ARG A 65 17.052 -2.922 0.708 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.258 -3.987 1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.128 -2.790 2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 65 14.694 -2.289 -0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.352 -2.049 0.374 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.071 -0.807 0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 65 14.917 -0.017 -0.128 1.00 0.00 H new ATOM 0 HE ARG A 65 13.466 -0.679 2.204 1.00 0.00 H new ATOM 0 HH11 ARG A 65 16.265 1.315 1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.015 2.451 2.669 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.151 0.781 3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.249 2.149 4.137 1.00 0.00 H new ATOM 1143 N ARG A 66 17.611 -5.743 0.986 1.00 0.00 N ATOM 1144 CA ARG A 66 18.114 -6.875 1.728 1.00 0.00 C ATOM 1145 C ARG A 66 16.993 -7.507 2.568 1.00 0.00 C ATOM 1146 O ARG A 66 16.969 -8.736 2.660 1.00 0.00 O ATOM 1147 CB ARG A 66 19.284 -6.476 2.633 1.00 0.00 C ATOM 1148 CG ARG A 66 20.372 -7.556 2.659 1.00 0.00 C ATOM 1149 CD ARG A 66 21.573 -7.109 3.502 1.00 0.00 C ATOM 1150 NE ARG A 66 22.510 -8.234 3.750 1.00 0.00 N ATOM 1151 CZ ARG A 66 22.285 -9.229 4.608 1.00 0.00 C ATOM 1152 NH1 ARG A 66 21.178 -9.221 5.345 1.00 0.00 N ATOM 1153 NH2 ARG A 66 23.170 -10.220 4.740 1.00 0.00 N ATOM 0 H ARG A 66 17.948 -5.672 0.026 1.00 0.00 H new ATOM 0 HA ARG A 66 18.477 -7.607 1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 66 19.712 -5.537 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 66 18.919 -6.302 3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.962 -8.480 3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 66 20.698 -7.773 1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 66 22.098 -6.302 2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 66 21.223 -6.709 4.453 1.00 0.00 H new ATOM 0 HE ARG A 66 23.386 -8.246 3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.508 -8.457 5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 66 20.998 -9.979 6.004 1.00 0.00 H new ATOM 0 HH21 ARG A 66 24.024 -10.219 4.183 1.00 0.00 H new ATOM 0 HH22 ARG A 66 22.992 -10.978 5.398 1.00 0.00 H new TER 1167 ARG A 66