USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 562 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 ILE N :NH3+ -156:sc= -0.19 (180deg=-0.847) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.57) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 133:sc= 0.536 (180deg=-0.352) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= -0.0242 (180deg=-0.201) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.45 K(o=-1.5,f=-5.5!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= -0.0443 (180deg=-0.318) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 10.775 8.616 -7.644 1.00 0.00 N ATOM 2 CA ILE A 1 10.979 8.110 -6.262 1.00 0.00 C ATOM 3 C ILE A 1 9.666 7.631 -5.655 1.00 0.00 C ATOM 4 O ILE A 1 8.688 8.377 -5.597 1.00 0.00 O ATOM 5 CB ILE A 1 11.582 9.198 -5.351 1.00 0.00 C ATOM 6 CG1 ILE A 1 12.903 9.705 -5.935 1.00 0.00 C ATOM 7 CG2 ILE A 1 11.790 8.658 -3.942 1.00 0.00 C ATOM 8 CD1 ILE A 1 13.478 10.894 -5.195 1.00 0.00 C ATOM 0 H1 ILE A 1 11.669 8.553 -8.172 1.00 0.00 H new ATOM 0 H2 ILE A 1 10.050 8.042 -8.120 1.00 0.00 H new ATOM 0 H3 ILE A 1 10.464 9.608 -7.608 1.00 0.00 H new ATOM 0 HA ILE A 1 11.674 7.273 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 1 10.884 10.034 -5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 1 13.631 8.894 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 1 12.748 9.978 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 1 12.216 9.439 -3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 1 10.832 8.341 -3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 1 12.470 7.807 -3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 1 14.413 11.198 -5.665 1.00 0.00 H new ATOM 0 HD12 ILE A 1 12.769 11.721 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 1 13.666 10.620 -4.157 1.00 0.00 H new ATOM 22 N PHE A 2 9.651 6.382 -5.201 1.00 0.00 N ATOM 23 CA PHE A 2 8.458 5.802 -4.596 1.00 0.00 C ATOM 24 C PHE A 2 8.510 5.926 -3.076 1.00 0.00 C ATOM 25 O PHE A 2 9.588 6.043 -2.491 1.00 0.00 O ATOM 26 CB PHE A 2 8.320 4.335 -5.000 1.00 0.00 C ATOM 27 CG PHE A 2 8.455 4.106 -6.477 1.00 0.00 C ATOM 28 CD1 PHE A 2 7.466 4.529 -7.350 1.00 0.00 C ATOM 29 CD2 PHE A 2 9.572 3.470 -6.992 1.00 0.00 C ATOM 30 CE1 PHE A 2 7.589 4.320 -8.711 1.00 0.00 C ATOM 31 CE2 PHE A 2 9.702 3.259 -8.352 1.00 0.00 C ATOM 32 CZ PHE A 2 8.709 3.685 -9.213 1.00 0.00 C ATOM 0 H PHE A 2 10.452 5.752 -5.241 1.00 0.00 H new ATOM 0 HA PHE A 2 7.588 6.351 -4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.078 3.750 -4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 2 7.349 3.965 -4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.589 5.027 -6.963 1.00 0.00 H new ATOM 0 HD2 PHE A 2 10.351 3.135 -6.323 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.810 4.653 -9.381 1.00 0.00 H new ATOM 0 HE2 PHE A 2 10.578 2.762 -8.741 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.808 3.522 -10.276 1.00 0.00 H new ATOM 42 N ASP A 3 7.343 5.896 -2.443 1.00 0.00 N ATOM 43 CA ASP A 3 7.260 6.014 -0.991 1.00 0.00 C ATOM 44 C ASP A 3 6.569 4.803 -0.373 1.00 0.00 C ATOM 45 O ASP A 3 5.375 4.590 -0.572 1.00 0.00 O ATOM 46 CB ASP A 3 6.503 7.289 -0.611 1.00 0.00 C ATOM 47 CG ASP A 3 7.132 8.533 -1.209 1.00 0.00 C ATOM 48 OD1 ASP A 3 6.762 8.897 -2.344 1.00 0.00 O ATOM 49 OD2 ASP A 3 7.995 9.141 -0.543 1.00 0.00 O ATOM 0 H ASP A 3 6.443 5.791 -2.911 1.00 0.00 H new ATOM 0 HA ASP A 3 8.277 6.062 -0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.470 7.209 -0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.478 7.384 0.475 1.00 0.00 H new ATOM 54 N ILE A 4 7.326 4.017 0.386 1.00 0.00 N ATOM 55 CA ILE A 4 6.786 2.834 1.040 1.00 0.00 C ATOM 56 C ILE A 4 6.129 3.201 2.365 1.00 0.00 C ATOM 57 O ILE A 4 6.807 3.581 3.319 1.00 0.00 O ATOM 58 CB ILE A 4 7.887 1.789 1.305 1.00 0.00 C ATOM 59 CG1 ILE A 4 8.658 1.489 0.018 1.00 0.00 C ATOM 60 CG2 ILE A 4 7.277 0.518 1.873 1.00 0.00 C ATOM 61 CD1 ILE A 4 9.904 0.656 0.237 1.00 0.00 C ATOM 0 H ILE A 4 8.317 4.180 0.563 1.00 0.00 H new ATOM 0 HA ILE A 4 6.042 2.407 0.367 1.00 0.00 H new ATOM 0 HB ILE A 4 8.587 2.194 2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.000 0.967 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.939 2.430 -0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.064 -0.213 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.768 0.746 2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.560 0.109 1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.399 0.483 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.582 1.185 0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.629 -0.301 0.681 1.00 0.00 H new ATOM 73 N TYR A 5 4.807 3.086 2.415 1.00 0.00 N ATOM 74 CA TYR A 5 4.058 3.407 3.624 1.00 0.00 C ATOM 75 C TYR A 5 3.817 2.154 4.457 1.00 0.00 C ATOM 76 O TYR A 5 3.613 1.067 3.916 1.00 0.00 O ATOM 77 CB TYR A 5 2.721 4.059 3.265 1.00 0.00 C ATOM 78 CG TYR A 5 2.860 5.373 2.528 1.00 0.00 C ATOM 79 CD1 TYR A 5 2.992 5.405 1.147 1.00 0.00 C ATOM 80 CD2 TYR A 5 2.856 6.581 3.215 1.00 0.00 C ATOM 81 CE1 TYR A 5 3.118 6.603 0.469 1.00 0.00 C ATOM 82 CE2 TYR A 5 2.982 7.784 2.545 1.00 0.00 C ATOM 83 CZ TYR A 5 3.113 7.790 1.173 1.00 0.00 C ATOM 84 OH TYR A 5 3.238 8.984 0.502 1.00 0.00 O ATOM 0 H TYR A 5 4.232 2.773 1.633 1.00 0.00 H new ATOM 0 HA TYR A 5 4.648 4.109 4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.144 3.368 2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.151 4.225 4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.996 4.478 0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.753 6.580 4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.220 6.610 -0.606 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.978 8.714 3.094 1.00 0.00 H new ATOM 0 HH TYR A 5 3.215 9.724 1.144 1.00 0.00 H new ATOM 94 N VAL A 6 3.841 2.313 5.776 1.00 0.00 N ATOM 95 CA VAL A 6 3.630 1.194 6.686 1.00 0.00 C ATOM 96 C VAL A 6 2.234 1.236 7.300 1.00 0.00 C ATOM 97 O VAL A 6 1.737 2.302 7.665 1.00 0.00 O ATOM 98 CB VAL A 6 4.683 1.185 7.812 1.00 0.00 C ATOM 99 CG1 VAL A 6 4.628 2.479 8.610 1.00 0.00 C ATOM 100 CG2 VAL A 6 4.492 -0.021 8.719 1.00 0.00 C ATOM 0 H VAL A 6 4.005 3.207 6.239 1.00 0.00 H new ATOM 0 HA VAL A 6 3.731 0.282 6.098 1.00 0.00 H new ATOM 0 HB VAL A 6 5.670 1.111 7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.379 2.452 9.399 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.827 3.323 7.949 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.639 2.591 9.054 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.246 -0.007 9.506 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.499 0.014 9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.594 -0.935 8.135 1.00 0.00 H new ATOM 110 N VAL A 7 1.606 0.070 7.408 1.00 0.00 N ATOM 111 CA VAL A 7 0.269 -0.031 7.980 1.00 0.00 C ATOM 112 C VAL A 7 0.333 -0.338 9.472 1.00 0.00 C ATOM 113 O VAL A 7 0.717 -1.437 9.874 1.00 0.00 O ATOM 114 CB VAL A 7 -0.565 -1.119 7.275 1.00 0.00 C ATOM 115 CG1 VAL A 7 -1.955 -1.210 7.883 1.00 0.00 C ATOM 116 CG2 VAL A 7 -0.646 -0.842 5.780 1.00 0.00 C ATOM 0 H VAL A 7 2.003 -0.820 7.106 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.213 0.935 7.831 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.070 -2.079 7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.526 -1.984 7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.874 -1.460 8.941 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.463 -0.252 7.774 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.238 -1.620 5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.116 0.127 5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.358 -0.835 5.356 1.00 0.00 H new ATOM 126 N THR A 8 -0.046 0.641 10.287 1.00 0.00 N ATOM 127 CA THR A 8 -0.036 0.479 11.736 1.00 0.00 C ATOM 128 C THR A 8 -1.441 0.608 12.311 1.00 0.00 C ATOM 129 O THR A 8 -1.616 0.887 13.497 1.00 0.00 O ATOM 130 CB THR A 8 0.883 1.515 12.410 1.00 0.00 C ATOM 131 OG1 THR A 8 0.457 2.841 12.074 1.00 0.00 O ATOM 132 CG2 THR A 8 2.327 1.315 11.978 1.00 0.00 C ATOM 0 H THR A 8 -0.364 1.556 9.968 1.00 0.00 H new ATOM 0 HA THR A 8 0.347 -0.521 11.942 1.00 0.00 H new ATOM 0 HB THR A 8 0.820 1.378 13.490 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.046 3.493 12.508 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.959 2.057 12.466 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.656 0.315 12.261 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.402 1.429 10.897 1.00 0.00 H new ATOM 140 N ALA A 9 -2.441 0.397 11.459 1.00 0.00 N ATOM 141 CA ALA A 9 -3.835 0.488 11.876 1.00 0.00 C ATOM 142 C ALA A 9 -4.572 -0.821 11.619 1.00 0.00 C ATOM 143 O ALA A 9 -5.793 -0.895 11.766 1.00 0.00 O ATOM 144 CB ALA A 9 -4.524 1.634 11.152 1.00 0.00 C ATOM 0 H ALA A 9 -2.310 0.162 10.475 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.857 0.681 12.949 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.565 1.693 11.471 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.019 2.570 11.389 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.483 1.462 10.076 1.00 0.00 H new ATOM 150 N ASP A 10 -3.822 -1.853 11.239 1.00 0.00 N ATOM 151 CA ASP A 10 -4.401 -3.163 10.958 1.00 0.00 C ATOM 152 C ASP A 10 -5.529 -3.047 9.937 1.00 0.00 C ATOM 153 O ASP A 10 -6.700 -3.254 10.260 1.00 0.00 O ATOM 154 CB ASP A 10 -4.919 -3.806 12.248 1.00 0.00 C ATOM 155 CG ASP A 10 -5.395 -5.231 12.039 1.00 0.00 C ATOM 156 OD1 ASP A 10 -4.545 -6.148 12.045 1.00 0.00 O ATOM 157 OD2 ASP A 10 -6.616 -5.432 11.873 1.00 0.00 O ATOM 0 H ASP A 10 -2.810 -1.806 11.119 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.620 -3.798 10.539 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.127 -3.797 12.997 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.739 -3.207 12.644 1.00 0.00 H new ATOM 162 N TYR A 11 -5.168 -2.703 8.705 1.00 0.00 N ATOM 163 CA TYR A 11 -6.148 -2.553 7.634 1.00 0.00 C ATOM 164 C TYR A 11 -6.543 -3.913 7.068 1.00 0.00 C ATOM 165 O TYR A 11 -5.862 -4.456 6.198 1.00 0.00 O ATOM 166 CB TYR A 11 -5.586 -1.664 6.522 1.00 0.00 C ATOM 167 CG TYR A 11 -6.635 -1.152 5.559 1.00 0.00 C ATOM 168 CD1 TYR A 11 -7.123 -1.956 4.536 1.00 0.00 C ATOM 169 CD2 TYR A 11 -7.136 0.138 5.673 1.00 0.00 C ATOM 170 CE1 TYR A 11 -8.079 -1.489 3.656 1.00 0.00 C ATOM 171 CE2 TYR A 11 -8.094 0.612 4.797 1.00 0.00 C ATOM 172 CZ TYR A 11 -8.562 -0.205 3.790 1.00 0.00 C ATOM 173 OH TYR A 11 -9.515 0.263 2.915 1.00 0.00 O ATOM 0 H TYR A 11 -4.204 -2.523 8.423 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.038 -2.081 8.049 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.075 -0.814 6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.838 -2.226 5.964 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.748 -2.963 4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.771 0.782 6.460 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.447 -2.127 2.866 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.474 1.618 4.901 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.748 1.186 3.148 1.00 0.00 H new ATOM 183 N LEU A 12 -7.645 -4.460 7.572 1.00 0.00 N ATOM 184 CA LEU A 12 -8.128 -5.760 7.120 1.00 0.00 C ATOM 185 C LEU A 12 -9.463 -5.627 6.382 1.00 0.00 C ATOM 186 O LEU A 12 -10.474 -5.264 6.984 1.00 0.00 O ATOM 187 CB LEU A 12 -8.285 -6.709 8.310 1.00 0.00 C ATOM 188 CG LEU A 12 -8.798 -8.108 7.961 1.00 0.00 C ATOM 189 CD1 LEU A 12 -7.815 -8.828 7.052 1.00 0.00 C ATOM 190 CD2 LEU A 12 -9.043 -8.913 9.228 1.00 0.00 C ATOM 0 H LEU A 12 -8.220 -4.024 8.293 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.392 -6.169 6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.320 -6.806 8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.969 -6.257 9.028 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.743 -8.006 7.428 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.198 -9.821 6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.688 -8.259 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.853 -8.921 7.557 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.408 -9.906 8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.111 -9.005 9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.786 -8.406 9.843 1.00 0.00 H new ATOM 202 N PRO A 13 -9.486 -5.919 5.064 1.00 0.00 N ATOM 203 CA PRO A 13 -10.711 -5.835 4.259 1.00 0.00 C ATOM 204 C PRO A 13 -11.820 -6.732 4.790 1.00 0.00 C ATOM 205 O PRO A 13 -11.553 -7.776 5.388 1.00 0.00 O ATOM 206 CB PRO A 13 -10.271 -6.329 2.879 1.00 0.00 C ATOM 207 CG PRO A 13 -8.802 -6.102 2.844 1.00 0.00 C ATOM 208 CD PRO A 13 -8.326 -6.331 4.250 1.00 0.00 C ATOM 0 HA PRO A 13 -11.121 -4.825 4.264 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.512 -7.383 2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.775 -5.780 2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.316 -6.786 2.149 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.569 -5.091 2.511 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.062 -7.375 4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.441 -5.737 4.478 1.00 0.00 H new ATOM 216 N LEU A 14 -13.063 -6.320 4.573 1.00 0.00 N ATOM 217 CA LEU A 14 -14.205 -7.100 5.019 1.00 0.00 C ATOM 218 C LEU A 14 -14.625 -8.100 3.947 1.00 0.00 C ATOM 219 O LEU A 14 -15.379 -7.773 3.031 1.00 0.00 O ATOM 220 CB LEU A 14 -15.379 -6.181 5.381 1.00 0.00 C ATOM 221 CG LEU A 14 -15.349 -4.784 4.751 1.00 0.00 C ATOM 222 CD1 LEU A 14 -15.508 -4.868 3.241 1.00 0.00 C ATOM 223 CD2 LEU A 14 -16.434 -3.906 5.353 1.00 0.00 C ATOM 0 H LEU A 14 -13.303 -5.453 4.092 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.911 -7.653 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.306 -6.673 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.409 -6.070 6.465 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.380 -4.334 4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.484 -3.864 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.694 -5.459 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.461 -5.340 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.398 -2.918 4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -17.410 -4.356 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.273 -3.814 6.427 1.00 0.00 H new ATOM 235 N GLY A 15 -14.126 -9.324 4.070 1.00 0.00 N ATOM 236 CA GLY A 15 -14.457 -10.365 3.116 1.00 0.00 C ATOM 237 C GLY A 15 -13.895 -10.088 1.735 1.00 0.00 C ATOM 238 O GLY A 15 -12.684 -9.932 1.572 1.00 0.00 O ATOM 0 H GLY A 15 -13.495 -9.615 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.072 -11.319 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.541 -10.462 3.051 1.00 0.00 H new ATOM 242 N ALA A 16 -14.775 -10.026 0.741 1.00 0.00 N ATOM 243 CA ALA A 16 -14.362 -9.765 -0.632 1.00 0.00 C ATOM 244 C ALA A 16 -14.670 -8.326 -1.031 1.00 0.00 C ATOM 245 O ALA A 16 -15.832 -7.957 -1.207 1.00 0.00 O ATOM 246 CB ALA A 16 -15.047 -10.736 -1.581 1.00 0.00 C ATOM 0 H ALA A 16 -15.780 -10.153 0.862 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.284 -9.910 -0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.730 -10.530 -2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.775 -11.757 -1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.128 -10.617 -1.505 1.00 0.00 H new ATOM 252 N GLU A 17 -13.624 -7.516 -1.168 1.00 0.00 N ATOM 253 CA GLU A 17 -13.785 -6.115 -1.543 1.00 0.00 C ATOM 254 C GLU A 17 -13.125 -5.835 -2.890 1.00 0.00 C ATOM 255 O GLU A 17 -11.925 -6.053 -3.062 1.00 0.00 O ATOM 256 CB GLU A 17 -13.188 -5.205 -0.469 1.00 0.00 C ATOM 257 CG GLU A 17 -13.519 -3.735 -0.662 1.00 0.00 C ATOM 258 CD GLU A 17 -12.973 -2.864 0.452 1.00 0.00 C ATOM 259 OE1 GLU A 17 -13.613 -2.797 1.523 1.00 0.00 O ATOM 260 OE2 GLU A 17 -11.905 -2.248 0.254 1.00 0.00 O ATOM 0 H GLU A 17 -12.657 -7.806 -1.025 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.852 -5.908 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.550 -5.525 0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.105 -5.327 -0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.112 -3.397 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.601 -3.614 -0.716 1.00 0.00 H new ATOM 267 N GLN A 18 -13.917 -5.350 -3.841 1.00 0.00 N ATOM 268 CA GLN A 18 -13.415 -5.041 -5.175 1.00 0.00 C ATOM 269 C GLN A 18 -12.424 -3.881 -5.132 1.00 0.00 C ATOM 270 O GLN A 18 -12.546 -2.978 -4.304 1.00 0.00 O ATOM 271 CB GLN A 18 -14.575 -4.696 -6.110 1.00 0.00 C ATOM 272 CG GLN A 18 -15.676 -5.744 -6.124 1.00 0.00 C ATOM 273 CD GLN A 18 -16.862 -5.336 -6.976 1.00 0.00 C ATOM 274 OE1 GLN A 18 -17.801 -4.703 -6.493 1.00 0.00 O ATOM 275 NE2 GLN A 18 -16.825 -5.696 -8.254 1.00 0.00 N ATOM 0 H GLN A 18 -14.911 -5.162 -3.712 1.00 0.00 H new ATOM 0 HA GLN A 18 -12.898 -5.923 -5.553 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -15.000 -3.738 -5.810 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.190 -4.571 -7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.272 -6.685 -6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.012 -5.925 -5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.027 -6.220 -8.613 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.594 -5.448 -8.876 1.00 0.00 H new ATOM 284 N ASP A 19 -11.441 -3.917 -6.031 1.00 0.00 N ATOM 285 CA ASP A 19 -10.426 -2.870 -6.105 1.00 0.00 C ATOM 286 C ASP A 19 -9.682 -2.731 -4.781 1.00 0.00 C ATOM 287 O ASP A 19 -9.107 -1.681 -4.488 1.00 0.00 O ATOM 288 CB ASP A 19 -11.068 -1.535 -6.486 1.00 0.00 C ATOM 289 CG ASP A 19 -11.724 -1.579 -7.852 1.00 0.00 C ATOM 290 OD1 ASP A 19 -12.921 -1.933 -7.925 1.00 0.00 O ATOM 291 OD2 ASP A 19 -11.043 -1.260 -8.850 1.00 0.00 O ATOM 0 H ASP A 19 -11.327 -4.662 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.707 -3.153 -6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.813 -1.266 -5.737 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.308 -0.753 -6.476 1.00 0.00 H new ATOM 296 N ALA A 20 -9.687 -3.798 -3.989 1.00 0.00 N ATOM 297 CA ALA A 20 -9.012 -3.793 -2.697 1.00 0.00 C ATOM 298 C ALA A 20 -7.950 -4.886 -2.626 1.00 0.00 C ATOM 299 O ALA A 20 -8.032 -5.891 -3.332 1.00 0.00 O ATOM 300 CB ALA A 20 -10.024 -3.964 -1.573 1.00 0.00 C ATOM 0 H ALA A 20 -10.151 -4.677 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.513 -2.831 -2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.507 -3.959 -0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.742 -3.145 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.549 -4.911 -1.697 1.00 0.00 H new ATOM 306 N ILE A 21 -6.955 -4.679 -1.771 1.00 0.00 N ATOM 307 CA ILE A 21 -5.873 -5.644 -1.604 1.00 0.00 C ATOM 308 C ILE A 21 -5.690 -6.009 -0.132 1.00 0.00 C ATOM 309 O ILE A 21 -5.748 -5.145 0.743 1.00 0.00 O ATOM 310 CB ILE A 21 -4.544 -5.098 -2.165 1.00 0.00 C ATOM 311 CG1 ILE A 21 -3.420 -6.123 -1.980 1.00 0.00 C ATOM 312 CG2 ILE A 21 -4.189 -3.778 -1.495 1.00 0.00 C ATOM 313 CD1 ILE A 21 -2.108 -5.710 -2.615 1.00 0.00 C ATOM 0 H ILE A 21 -6.875 -3.850 -1.182 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.149 -6.538 -2.163 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.665 -4.918 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.262 -6.287 -0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.735 -7.076 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.249 -3.405 -1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.979 -3.051 -1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.085 -3.932 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.361 -6.485 -2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.250 -5.574 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.768 -4.774 -2.172 1.00 0.00 H new ATOM 325 N THR A 22 -5.473 -7.295 0.133 1.00 0.00 N ATOM 326 CA THR A 22 -5.280 -7.771 1.499 1.00 0.00 C ATOM 327 C THR A 22 -4.094 -7.072 2.159 1.00 0.00 C ATOM 328 O THR A 22 -3.036 -6.916 1.549 1.00 0.00 O ATOM 329 CB THR A 22 -5.056 -9.296 1.541 1.00 0.00 C ATOM 330 OG1 THR A 22 -4.866 -9.727 2.894 1.00 0.00 O ATOM 331 CG2 THR A 22 -3.849 -9.697 0.705 1.00 0.00 C ATOM 0 H THR A 22 -5.427 -8.024 -0.579 1.00 0.00 H new ATOM 0 HA THR A 22 -6.191 -7.535 2.049 1.00 0.00 H new ATOM 0 HB THR A 22 -5.941 -9.777 1.124 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.726 -10.697 2.912 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.716 -10.778 0.754 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.008 -9.397 -0.331 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.958 -9.204 1.093 1.00 0.00 H new ATOM 339 N LEU A 23 -4.279 -6.651 3.407 1.00 0.00 N ATOM 340 CA LEU A 23 -3.224 -5.964 4.143 1.00 0.00 C ATOM 341 C LEU A 23 -3.257 -6.328 5.623 1.00 0.00 C ATOM 342 O LEU A 23 -4.292 -6.736 6.151 1.00 0.00 O ATOM 343 CB LEU A 23 -3.363 -4.449 3.977 1.00 0.00 C ATOM 344 CG LEU A 23 -3.122 -3.923 2.560 1.00 0.00 C ATOM 345 CD1 LEU A 23 -3.452 -2.441 2.479 1.00 0.00 C ATOM 346 CD2 LEU A 23 -1.681 -4.170 2.137 1.00 0.00 C ATOM 0 H LEU A 23 -5.147 -6.773 3.928 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.266 -6.285 3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.365 -4.156 4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.662 -3.960 4.653 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.779 -4.461 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.275 -2.084 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.499 -2.287 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.819 -1.889 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.528 -3.790 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.007 -3.658 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.474 -5.240 2.157 1.00 0.00 H new ATOM 358 N ARG A 24 -2.114 -6.180 6.285 1.00 0.00 N ATOM 359 CA ARG A 24 -2.002 -6.488 7.707 1.00 0.00 C ATOM 360 C ARG A 24 -1.132 -5.459 8.418 1.00 0.00 C ATOM 361 O ARG A 24 -0.277 -4.822 7.800 1.00 0.00 O ATOM 362 CB ARG A 24 -1.409 -7.885 7.901 1.00 0.00 C ATOM 363 CG ARG A 24 -2.269 -8.999 7.328 1.00 0.00 C ATOM 364 CD ARG A 24 -1.569 -10.343 7.432 1.00 0.00 C ATOM 365 NE ARG A 24 -0.306 -10.359 6.700 1.00 0.00 N ATOM 366 CZ ARG A 24 0.807 -10.927 7.156 1.00 0.00 C ATOM 367 NH1 ARG A 24 0.814 -11.526 8.340 1.00 0.00 N ATOM 368 NH2 ARG A 24 1.914 -10.895 6.428 1.00 0.00 N ATOM 0 H ARG A 24 -1.249 -5.848 5.858 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.002 -6.458 8.139 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.425 -7.920 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.262 -8.063 8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.219 -9.039 7.861 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.498 -8.785 6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.383 -10.575 8.481 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.223 -11.124 7.044 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.275 -9.908 5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.036 -11.552 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.669 -11.961 8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.913 -10.435 5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.767 -11.331 6.778 1.00 0.00 H new ATOM 382 N GLU A 25 -1.353 -5.299 9.718 1.00 0.00 N ATOM 383 CA GLU A 25 -0.583 -4.349 10.512 1.00 0.00 C ATOM 384 C GLU A 25 0.890 -4.744 10.544 1.00 0.00 C ATOM 385 O GLU A 25 1.297 -5.596 11.336 1.00 0.00 O ATOM 386 CB GLU A 25 -1.137 -4.273 11.935 1.00 0.00 C ATOM 387 CG GLU A 25 -0.423 -3.261 12.816 1.00 0.00 C ATOM 388 CD GLU A 25 -0.983 -3.216 14.224 1.00 0.00 C ATOM 389 OE1 GLU A 25 -1.969 -2.482 14.446 1.00 0.00 O ATOM 390 OE2 GLU A 25 -0.436 -3.914 15.103 1.00 0.00 O ATOM 0 H GLU A 25 -2.059 -5.815 10.244 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.669 -3.367 10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.196 -4.019 11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.065 -5.258 12.396 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.638 -3.507 12.859 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.503 -2.272 12.365 1.00 0.00 H new ATOM 397 N GLY A 26 1.683 -4.125 9.676 1.00 0.00 N ATOM 398 CA GLY A 26 3.102 -4.425 9.618 1.00 0.00 C ATOM 399 C GLY A 26 3.570 -4.731 8.210 1.00 0.00 C ATOM 400 O GLY A 26 4.619 -5.345 8.017 1.00 0.00 O ATOM 0 H GLY A 26 1.368 -3.419 9.010 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.666 -3.578 10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.317 -5.277 10.263 1.00 0.00 H new ATOM 404 N GLN A 27 2.788 -4.302 7.225 1.00 0.00 N ATOM 405 CA GLN A 27 3.116 -4.528 5.830 1.00 0.00 C ATOM 406 C GLN A 27 3.702 -3.269 5.200 1.00 0.00 C ATOM 407 O GLN A 27 3.335 -2.153 5.566 1.00 0.00 O ATOM 408 CB GLN A 27 1.859 -4.951 5.080 1.00 0.00 C ATOM 409 CG GLN A 27 1.856 -6.411 4.666 1.00 0.00 C ATOM 410 CD GLN A 27 2.953 -6.740 3.673 1.00 0.00 C ATOM 411 OE1 GLN A 27 4.061 -7.113 4.057 1.00 0.00 O ATOM 412 NE2 GLN A 27 2.648 -6.603 2.388 1.00 0.00 N ATOM 0 H GLN A 27 1.917 -3.792 7.373 1.00 0.00 H new ATOM 0 HA GLN A 27 3.864 -5.318 5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.990 -4.759 5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.752 -4.330 4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.974 -7.036 5.551 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.889 -6.658 4.228 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.716 -6.291 2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.346 -6.810 1.673 1.00 0.00 H new ATOM 421 N TYR A 28 4.613 -3.457 4.252 1.00 0.00 N ATOM 422 CA TYR A 28 5.252 -2.337 3.573 1.00 0.00 C ATOM 423 C TYR A 28 4.937 -2.361 2.080 1.00 0.00 C ATOM 424 O TYR A 28 4.963 -3.417 1.446 1.00 0.00 O ATOM 425 CB TYR A 28 6.763 -2.380 3.795 1.00 0.00 C ATOM 426 CG TYR A 28 7.157 -2.534 5.248 1.00 0.00 C ATOM 427 CD1 TYR A 28 7.309 -1.423 6.068 1.00 0.00 C ATOM 428 CD2 TYR A 28 7.374 -3.791 5.800 1.00 0.00 C ATOM 429 CE1 TYR A 28 7.669 -1.559 7.397 1.00 0.00 C ATOM 430 CE2 TYR A 28 7.734 -3.935 7.127 1.00 0.00 C ATOM 431 CZ TYR A 28 7.879 -2.817 7.921 1.00 0.00 C ATOM 432 OH TYR A 28 8.238 -2.957 9.242 1.00 0.00 O ATOM 0 H TYR A 28 4.926 -4.375 3.936 1.00 0.00 H new ATOM 0 HA TYR A 28 4.860 -1.410 3.992 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.182 -3.208 3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.206 -1.465 3.402 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.143 -0.436 5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.260 -4.669 5.182 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.785 -0.685 8.020 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.901 -4.919 7.540 1.00 0.00 H new ATOM 0 HH TYR A 28 8.346 -3.908 9.453 1.00 0.00 H new ATOM 442 N VAL A 29 4.645 -1.190 1.522 1.00 0.00 N ATOM 443 CA VAL A 29 4.312 -1.088 0.106 1.00 0.00 C ATOM 444 C VAL A 29 4.511 0.332 -0.430 1.00 0.00 C ATOM 445 O VAL A 29 3.952 1.292 0.099 1.00 0.00 O ATOM 446 CB VAL A 29 2.852 -1.522 -0.146 1.00 0.00 C ATOM 447 CG1 VAL A 29 1.902 -0.789 0.789 1.00 0.00 C ATOM 448 CG2 VAL A 29 2.463 -1.289 -1.597 1.00 0.00 C ATOM 0 H VAL A 29 4.632 -0.303 2.026 1.00 0.00 H new ATOM 0 HA VAL A 29 4.992 -1.755 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 29 2.776 -2.590 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.879 -1.110 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.162 -1.015 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.983 0.285 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.430 -1.602 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.561 -0.230 -1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.119 -1.868 -2.247 1.00 0.00 H new ATOM 458 N GLU A 30 5.319 0.450 -1.483 1.00 0.00 N ATOM 459 CA GLU A 30 5.585 1.738 -2.116 1.00 0.00 C ATOM 460 C GLU A 30 4.384 2.198 -2.938 1.00 0.00 C ATOM 461 O GLU A 30 3.596 1.379 -3.411 1.00 0.00 O ATOM 462 CB GLU A 30 6.824 1.640 -3.007 1.00 0.00 C ATOM 463 CG GLU A 30 6.719 0.570 -4.081 1.00 0.00 C ATOM 464 CD GLU A 30 8.009 0.396 -4.858 1.00 0.00 C ATOM 465 OE1 GLU A 30 8.904 -0.325 -4.368 1.00 0.00 O ATOM 466 OE2 GLU A 30 8.124 0.979 -5.956 1.00 0.00 O ATOM 0 H GLU A 30 5.802 -0.337 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 30 5.766 2.474 -1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.996 2.605 -3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.694 1.433 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.447 -0.379 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.916 0.830 -4.771 1.00 0.00 H new ATOM 473 N VAL A 31 4.253 3.511 -3.105 1.00 0.00 N ATOM 474 CA VAL A 31 3.146 4.081 -3.865 1.00 0.00 C ATOM 475 C VAL A 31 3.553 4.365 -5.309 1.00 0.00 C ATOM 476 O VAL A 31 4.630 4.903 -5.569 1.00 0.00 O ATOM 477 CB VAL A 31 2.627 5.380 -3.210 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.705 6.451 -3.196 1.00 0.00 C ATOM 479 CG2 VAL A 31 1.379 5.880 -3.923 1.00 0.00 C ATOM 0 H VAL A 31 4.901 4.200 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 31 2.345 3.342 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 31 2.363 5.155 -2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.314 7.355 -2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.565 6.094 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.010 6.673 -4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.030 6.796 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.613 6.082 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.599 5.121 -3.866 1.00 0.00 H new ATOM 489 N LEU A 32 2.684 3.993 -6.243 1.00 0.00 N ATOM 490 CA LEU A 32 2.943 4.209 -7.663 1.00 0.00 C ATOM 491 C LEU A 32 2.378 5.551 -8.120 1.00 0.00 C ATOM 492 O LEU A 32 3.128 6.464 -8.468 1.00 0.00 O ATOM 493 CB LEU A 32 2.337 3.073 -8.493 1.00 0.00 C ATOM 494 CG LEU A 32 3.047 1.723 -8.364 1.00 0.00 C ATOM 495 CD1 LEU A 32 2.287 0.646 -9.123 1.00 0.00 C ATOM 496 CD2 LEU A 32 4.479 1.820 -8.872 1.00 0.00 C ATOM 0 H LEU A 32 1.793 3.540 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 32 4.022 4.221 -7.814 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.294 2.947 -8.201 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.340 3.369 -9.542 1.00 0.00 H new ATOM 0 HG LEU A 32 3.073 1.450 -7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.806 -0.307 -9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.280 0.556 -8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.229 0.916 -10.177 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.967 0.850 -8.772 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.474 2.117 -9.921 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.023 2.562 -8.287 1.00 0.00 H new ATOM 508 N ASP A 33 1.054 5.663 -8.119 1.00 0.00 N ATOM 509 CA ASP A 33 0.389 6.894 -8.533 1.00 0.00 C ATOM 510 C ASP A 33 -0.163 7.649 -7.329 1.00 0.00 C ATOM 511 O ASP A 33 -0.607 7.042 -6.353 1.00 0.00 O ATOM 512 CB ASP A 33 -0.739 6.584 -9.518 1.00 0.00 C ATOM 513 CG ASP A 33 -0.226 6.018 -10.826 1.00 0.00 C ATOM 514 OD1 ASP A 33 0.050 4.801 -10.880 1.00 0.00 O ATOM 515 OD2 ASP A 33 -0.096 6.793 -11.797 1.00 0.00 O ATOM 0 H ASP A 33 0.420 4.916 -7.836 1.00 0.00 H new ATOM 0 HA ASP A 33 1.128 7.526 -9.026 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.429 5.873 -9.064 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.304 7.494 -9.716 1.00 0.00 H new ATOM 520 N ALA A 34 -0.132 8.976 -7.404 1.00 0.00 N ATOM 521 CA ALA A 34 -0.629 9.817 -6.322 1.00 0.00 C ATOM 522 C ALA A 34 -1.906 10.543 -6.735 1.00 0.00 C ATOM 523 O ALA A 34 -2.312 11.515 -6.097 1.00 0.00 O ATOM 524 CB ALA A 34 0.435 10.820 -5.901 1.00 0.00 C ATOM 0 H ALA A 34 0.233 9.492 -8.205 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.863 9.174 -5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.050 11.441 -5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.322 10.287 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.696 11.451 -6.750 1.00 0.00 H new ATOM 530 N ALA A 35 -2.536 10.061 -7.801 1.00 0.00 N ATOM 531 CA ALA A 35 -3.767 10.664 -8.303 1.00 0.00 C ATOM 532 C ALA A 35 -4.877 10.611 -7.257 1.00 0.00 C ATOM 533 O ALA A 35 -5.140 9.561 -6.672 1.00 0.00 O ATOM 534 CB ALA A 35 -4.209 9.969 -9.581 1.00 0.00 C ATOM 0 H ALA A 35 -2.215 9.254 -8.335 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.565 11.712 -8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.128 10.428 -9.945 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.430 10.067 -10.337 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.386 8.913 -9.378 1.00 0.00 H new ATOM 540 N HIS A 36 -5.521 11.755 -7.031 1.00 0.00 N ATOM 541 CA HIS A 36 -6.611 11.855 -6.062 1.00 0.00 C ATOM 542 C HIS A 36 -6.123 11.511 -4.651 1.00 0.00 C ATOM 543 O HIS A 36 -5.910 10.341 -4.333 1.00 0.00 O ATOM 544 CB HIS A 36 -7.763 10.927 -6.460 1.00 0.00 C ATOM 545 CG HIS A 36 -9.098 11.359 -5.934 1.00 0.00 C ATOM 546 ND1 HIS A 36 -10.292 10.947 -6.488 1.00 0.00 N ATOM 547 CD2 HIS A 36 -9.429 12.170 -4.898 1.00 0.00 C ATOM 548 CE1 HIS A 36 -11.297 11.484 -5.820 1.00 0.00 C ATOM 549 NE2 HIS A 36 -10.801 12.229 -4.849 1.00 0.00 N ATOM 0 H HIS A 36 -5.305 12.630 -7.509 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.969 12.885 -6.060 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.812 10.871 -7.547 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.549 9.921 -6.098 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.742 12.675 -4.235 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.346 11.339 -6.032 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.348 12.762 -4.172 1.00 0.00 H new ATOM 558 N PRO A 37 -5.938 12.529 -3.785 1.00 0.00 N ATOM 559 CA PRO A 37 -5.466 12.325 -2.406 1.00 0.00 C ATOM 560 C PRO A 37 -6.319 11.327 -1.627 1.00 0.00 C ATOM 561 O PRO A 37 -5.856 10.732 -0.654 1.00 0.00 O ATOM 562 CB PRO A 37 -5.585 13.719 -1.790 1.00 0.00 C ATOM 563 CG PRO A 37 -5.461 14.638 -2.934 1.00 0.00 C ATOM 564 CD PRO A 37 -6.169 13.959 -4.071 1.00 0.00 C ATOM 0 HA PRO A 37 -4.459 11.908 -2.381 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.539 13.847 -1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.802 13.895 -1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.912 15.605 -2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.415 14.823 -3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.231 14.202 -4.090 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.758 14.251 -5.037 1.00 0.00 H new ATOM 572 N LEU A 38 -7.566 11.154 -2.056 1.00 0.00 N ATOM 573 CA LEU A 38 -8.479 10.227 -1.391 1.00 0.00 C ATOM 574 C LEU A 38 -7.878 8.828 -1.313 1.00 0.00 C ATOM 575 O LEU A 38 -7.763 8.253 -0.231 1.00 0.00 O ATOM 576 CB LEU A 38 -9.821 10.176 -2.127 1.00 0.00 C ATOM 577 CG LEU A 38 -10.874 9.263 -1.494 1.00 0.00 C ATOM 578 CD1 LEU A 38 -11.272 9.779 -0.120 1.00 0.00 C ATOM 579 CD2 LEU A 38 -12.093 9.151 -2.397 1.00 0.00 C ATOM 0 H LEU A 38 -7.967 11.641 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.643 10.590 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.225 11.187 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.644 9.846 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.442 8.270 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.021 9.117 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.395 9.807 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.686 10.783 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.832 8.498 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -12.526 10.140 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.796 8.735 -3.359 1.00 0.00 H new ATOM 591 N ARG A 39 -7.498 8.286 -2.464 1.00 0.00 N ATOM 592 CA ARG A 39 -6.907 6.955 -2.521 1.00 0.00 C ATOM 593 C ARG A 39 -5.749 6.912 -3.513 1.00 0.00 C ATOM 594 O ARG A 39 -5.898 7.284 -4.678 1.00 0.00 O ATOM 595 CB ARG A 39 -7.967 5.918 -2.904 1.00 0.00 C ATOM 596 CG ARG A 39 -8.690 6.235 -4.201 1.00 0.00 C ATOM 597 CD ARG A 39 -9.662 5.130 -4.582 1.00 0.00 C ATOM 598 NE ARG A 39 -10.371 5.431 -5.823 1.00 0.00 N ATOM 599 CZ ARG A 39 -11.136 4.555 -6.469 1.00 0.00 C ATOM 600 NH1 ARG A 39 -11.302 3.330 -5.988 1.00 0.00 N ATOM 601 NH2 ARG A 39 -11.739 4.907 -7.597 1.00 0.00 N ATOM 0 H ARG A 39 -7.589 8.747 -3.369 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.518 6.716 -1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.492 4.941 -2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.698 5.845 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.230 7.176 -4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.962 6.372 -5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.119 4.191 -4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.383 4.988 -3.777 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.274 6.367 -6.217 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.842 3.056 -5.120 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.889 2.662 -6.487 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.616 5.849 -7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.326 4.236 -8.093 1.00 0.00 H new ATOM 615 N TRP A 40 -4.590 6.459 -3.042 1.00 0.00 N ATOM 616 CA TRP A 40 -3.405 6.364 -3.887 1.00 0.00 C ATOM 617 C TRP A 40 -3.151 4.923 -4.320 1.00 0.00 C ATOM 618 O TRP A 40 -3.390 3.984 -3.559 1.00 0.00 O ATOM 619 CB TRP A 40 -2.175 6.899 -3.147 1.00 0.00 C ATOM 620 CG TRP A 40 -2.179 8.388 -2.950 1.00 0.00 C ATOM 621 CD1 TRP A 40 -2.889 9.313 -3.661 1.00 0.00 C ATOM 622 CD2 TRP A 40 -1.422 9.123 -1.982 1.00 0.00 C ATOM 623 NE1 TRP A 40 -2.624 10.576 -3.189 1.00 0.00 N ATOM 624 CE2 TRP A 40 -1.727 10.485 -2.159 1.00 0.00 C ATOM 625 CE3 TRP A 40 -0.517 8.760 -0.979 1.00 0.00 C ATOM 626 CZ2 TRP A 40 -1.158 11.485 -1.372 1.00 0.00 C ATOM 627 CZ3 TRP A 40 0.046 9.753 -0.198 1.00 0.00 C ATOM 628 CH2 TRP A 40 -0.277 11.100 -0.398 1.00 0.00 C ATOM 0 H TRP A 40 -4.447 6.152 -2.080 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.584 6.969 -4.776 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.111 6.414 -2.173 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.280 6.619 -3.702 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.561 9.085 -4.475 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.030 11.440 -3.548 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.262 7.723 -0.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.403 12.526 -1.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.746 9.485 0.579 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.179 11.852 0.230 1.00 0.00 H new ATOM 639 N LEU A 41 -2.668 4.758 -5.548 1.00 0.00 N ATOM 640 CA LEU A 41 -2.366 3.436 -6.083 1.00 0.00 C ATOM 641 C LEU A 41 -1.014 2.956 -5.563 1.00 0.00 C ATOM 642 O LEU A 41 -0.039 3.707 -5.577 1.00 0.00 O ATOM 643 CB LEU A 41 -2.360 3.477 -7.615 1.00 0.00 C ATOM 644 CG LEU A 41 -1.963 2.171 -8.308 1.00 0.00 C ATOM 645 CD1 LEU A 41 -2.942 1.059 -7.964 1.00 0.00 C ATOM 646 CD2 LEU A 41 -1.891 2.371 -9.813 1.00 0.00 C ATOM 0 H LEU A 41 -2.477 5.526 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.136 2.738 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.355 3.762 -7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.675 4.262 -7.937 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.976 1.879 -7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.641 0.140 -8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.945 0.898 -6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.943 1.341 -8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.608 1.434 -10.291 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.865 2.688 -10.185 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.148 3.135 -10.043 1.00 0.00 H new ATOM 658 N VAL A 42 -0.958 1.710 -5.100 1.00 0.00 N ATOM 659 CA VAL A 42 0.282 1.156 -4.566 1.00 0.00 C ATOM 660 C VAL A 42 0.554 -0.247 -5.099 1.00 0.00 C ATOM 661 O VAL A 42 -0.348 -0.925 -5.591 1.00 0.00 O ATOM 662 CB VAL A 42 0.258 1.111 -3.025 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.080 2.508 -2.450 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.839 0.180 -2.530 1.00 0.00 C ATOM 0 H VAL A 42 -1.751 1.069 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 42 1.082 1.819 -4.897 1.00 0.00 H new ATOM 0 HB VAL A 42 1.215 0.720 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.066 2.454 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.907 3.142 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.860 2.930 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.838 0.163 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.806 0.535 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.660 -0.826 -2.908 1.00 0.00 H new ATOM 674 N ARG A 43 1.810 -0.672 -4.991 1.00 0.00 N ATOM 675 CA ARG A 43 2.223 -1.993 -5.449 1.00 0.00 C ATOM 676 C ARG A 43 3.219 -2.607 -4.471 1.00 0.00 C ATOM 677 O ARG A 43 4.349 -2.131 -4.341 1.00 0.00 O ATOM 678 CB ARG A 43 2.844 -1.900 -6.845 1.00 0.00 C ATOM 679 CG ARG A 43 3.388 -3.222 -7.361 1.00 0.00 C ATOM 680 CD ARG A 43 4.012 -3.065 -8.738 1.00 0.00 C ATOM 681 NE ARG A 43 5.156 -2.155 -8.721 1.00 0.00 N ATOM 682 CZ ARG A 43 6.094 -2.132 -9.662 1.00 0.00 C ATOM 683 NH1 ARG A 43 6.031 -2.970 -10.687 1.00 0.00 N ATOM 684 NH2 ARG A 43 7.098 -1.269 -9.577 1.00 0.00 N ATOM 0 H ARG A 43 2.563 -0.115 -4.587 1.00 0.00 H new ATOM 0 HA ARG A 43 1.342 -2.634 -5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.093 -1.529 -7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.651 -1.168 -6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.132 -3.608 -6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.583 -3.956 -7.406 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.330 -4.041 -9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.262 -2.691 -9.435 1.00 0.00 H new ATOM 0 HE ARG A 43 5.239 -1.501 -7.943 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.261 -3.635 -10.755 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.753 -2.950 -11.408 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.150 -0.623 -8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.818 -1.251 -10.299 1.00 0.00 H new ATOM 698 N THR A 44 2.792 -3.661 -3.782 1.00 0.00 N ATOM 699 CA THR A 44 3.640 -4.333 -2.803 1.00 0.00 C ATOM 700 C THR A 44 4.931 -4.839 -3.436 1.00 0.00 C ATOM 701 O THR A 44 4.930 -5.329 -4.565 1.00 0.00 O ATOM 702 CB THR A 44 2.905 -5.514 -2.145 1.00 0.00 C ATOM 703 OG1 THR A 44 2.652 -6.538 -3.115 1.00 0.00 O ATOM 704 CG2 THR A 44 1.592 -5.057 -1.533 1.00 0.00 C ATOM 0 H THR A 44 1.863 -4.069 -3.884 1.00 0.00 H new ATOM 0 HA THR A 44 3.885 -3.594 -2.041 1.00 0.00 H new ATOM 0 HB THR A 44 3.540 -5.913 -1.354 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.186 -7.286 -2.687 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.089 -5.908 -1.073 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.788 -4.299 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.955 -4.636 -2.311 1.00 0.00 H new ATOM 712 N LYS A 45 6.032 -4.715 -2.698 1.00 0.00 N ATOM 713 CA LYS A 45 7.332 -5.157 -3.188 1.00 0.00 C ATOM 714 C LYS A 45 7.454 -6.679 -3.115 1.00 0.00 C ATOM 715 O LYS A 45 7.260 -7.268 -2.051 1.00 0.00 O ATOM 716 CB LYS A 45 8.455 -4.507 -2.376 1.00 0.00 C ATOM 717 CG LYS A 45 8.507 -2.994 -2.509 1.00 0.00 C ATOM 718 CD LYS A 45 9.668 -2.402 -1.723 1.00 0.00 C ATOM 719 CE LYS A 45 11.010 -2.769 -2.340 1.00 0.00 C ATOM 720 NZ LYS A 45 11.144 -2.252 -3.731 1.00 0.00 N ATOM 0 H LYS A 45 6.048 -4.313 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 45 7.421 -4.852 -4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.329 -4.766 -1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.410 -4.924 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.603 -2.724 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.570 -2.565 -2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.568 -1.317 -1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.631 -2.759 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.814 -2.366 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.123 -3.853 -2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.069 -1.791 -3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.067 -3.041 -4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.389 -1.562 -3.919 1.00 0.00 H new ATOM 734 N PRO A 46 7.776 -7.342 -4.245 1.00 0.00 N ATOM 735 CA PRO A 46 7.920 -8.797 -4.285 1.00 0.00 C ATOM 736 C PRO A 46 9.260 -9.263 -3.728 1.00 0.00 C ATOM 737 O PRO A 46 10.019 -8.473 -3.163 1.00 0.00 O ATOM 738 CB PRO A 46 7.822 -9.114 -5.776 1.00 0.00 C ATOM 739 CG PRO A 46 8.361 -7.901 -6.454 1.00 0.00 C ATOM 740 CD PRO A 46 8.023 -6.729 -5.567 1.00 0.00 C ATOM 0 HA PRO A 46 7.170 -9.301 -3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.401 -10.001 -6.032 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.792 -9.309 -6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.439 -7.982 -6.596 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.918 -7.780 -7.442 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.841 -6.010 -5.527 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.145 -6.194 -5.929 1.00 0.00 H new ATOM 748 N THR A 47 9.545 -10.550 -3.894 1.00 0.00 N ATOM 749 CA THR A 47 10.793 -11.129 -3.413 1.00 0.00 C ATOM 750 C THR A 47 11.469 -11.950 -4.508 1.00 0.00 C ATOM 751 O THR A 47 12.104 -12.968 -4.231 1.00 0.00 O ATOM 752 CB THR A 47 10.557 -12.024 -2.183 1.00 0.00 C ATOM 753 OG1 THR A 47 9.586 -13.031 -2.486 1.00 0.00 O ATOM 754 CG2 THR A 47 10.084 -11.201 -0.993 1.00 0.00 C ATOM 0 H THR A 47 8.926 -11.214 -4.360 1.00 0.00 H new ATOM 0 HA THR A 47 11.443 -10.301 -3.128 1.00 0.00 H new ATOM 0 HB THR A 47 11.504 -12.498 -1.924 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.444 -13.596 -1.698 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.925 -11.857 -0.137 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.839 -10.455 -0.743 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.149 -10.700 -1.245 1.00 0.00 H new ATOM 762 N LYS A 48 11.324 -11.493 -5.752 1.00 0.00 N ATOM 763 CA LYS A 48 11.911 -12.175 -6.906 1.00 0.00 C ATOM 764 C LYS A 48 11.267 -13.545 -7.113 1.00 0.00 C ATOM 765 O LYS A 48 11.678 -14.312 -7.985 1.00 0.00 O ATOM 766 CB LYS A 48 13.428 -12.323 -6.731 1.00 0.00 C ATOM 767 CG LYS A 48 14.161 -12.718 -8.006 1.00 0.00 C ATOM 768 CD LYS A 48 14.118 -11.607 -9.045 1.00 0.00 C ATOM 769 CE LYS A 48 14.738 -12.051 -10.361 1.00 0.00 C ATOM 770 NZ LYS A 48 16.138 -12.525 -10.185 1.00 0.00 N ATOM 0 H LYS A 48 10.802 -10.649 -5.987 1.00 0.00 H new ATOM 0 HA LYS A 48 11.719 -11.567 -7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.835 -11.380 -6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.624 -13.072 -5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.198 -12.957 -7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.712 -13.621 -8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.085 -11.304 -9.212 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.649 -10.733 -8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.136 -12.850 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.722 -11.221 -11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.580 -12.657 -11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.678 -11.820 -9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.136 -13.429 -9.671 1.00 0.00 H new ATOM 784 N SER A 49 10.249 -13.845 -6.313 1.00 0.00 N ATOM 785 CA SER A 49 9.551 -15.122 -6.411 1.00 0.00 C ATOM 786 C SER A 49 8.082 -14.974 -6.027 1.00 0.00 C ATOM 787 O SER A 49 7.244 -15.788 -6.415 1.00 0.00 O ATOM 788 CB SER A 49 10.221 -16.163 -5.512 1.00 0.00 C ATOM 789 OG SER A 49 9.568 -17.417 -5.608 1.00 0.00 O ATOM 0 H SER A 49 9.889 -13.222 -5.590 1.00 0.00 H new ATOM 0 HA SER A 49 9.604 -15.456 -7.447 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.268 -16.272 -5.795 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.204 -15.819 -4.478 1.00 0.00 H new ATOM 0 HG SER A 49 10.016 -18.065 -5.025 1.00 0.00 H new ATOM 795 N SER A 50 7.777 -13.929 -5.264 1.00 0.00 N ATOM 796 CA SER A 50 6.409 -13.675 -4.826 1.00 0.00 C ATOM 797 C SER A 50 5.683 -12.752 -5.803 1.00 0.00 C ATOM 798 O SER A 50 6.154 -11.653 -6.090 1.00 0.00 O ATOM 799 CB SER A 50 6.406 -13.056 -3.427 1.00 0.00 C ATOM 800 OG SER A 50 5.083 -12.803 -2.985 1.00 0.00 O ATOM 0 H SER A 50 8.459 -13.245 -4.936 1.00 0.00 H new ATOM 0 HA SER A 50 5.883 -14.629 -4.797 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.905 -13.727 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.974 -12.126 -3.436 1.00 0.00 H new ATOM 0 HG SER A 50 5.107 -12.409 -2.088 1.00 0.00 H new ATOM 806 N PRO A 51 4.524 -13.190 -6.331 1.00 0.00 N ATOM 807 CA PRO A 51 3.734 -12.391 -7.275 1.00 0.00 C ATOM 808 C PRO A 51 3.326 -11.043 -6.690 1.00 0.00 C ATOM 809 O PRO A 51 2.693 -10.979 -5.637 1.00 0.00 O ATOM 810 CB PRO A 51 2.494 -13.258 -7.538 1.00 0.00 C ATOM 811 CG PRO A 51 2.458 -14.234 -6.412 1.00 0.00 C ATOM 812 CD PRO A 51 3.888 -14.489 -6.056 1.00 0.00 C ATOM 0 HA PRO A 51 4.299 -12.154 -8.176 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.588 -12.653 -7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.565 -13.767 -8.499 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.908 -13.831 -5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.957 -15.156 -6.708 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.000 -14.782 -5.012 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.320 -15.288 -6.659 1.00 0.00 H new ATOM 820 N SER A 52 3.694 -9.969 -7.382 1.00 0.00 N ATOM 821 CA SER A 52 3.365 -8.620 -6.931 1.00 0.00 C ATOM 822 C SER A 52 1.874 -8.343 -7.087 1.00 0.00 C ATOM 823 O SER A 52 1.222 -8.887 -7.979 1.00 0.00 O ATOM 824 CB SER A 52 4.173 -7.585 -7.717 1.00 0.00 C ATOM 825 OG SER A 52 3.881 -7.656 -9.102 1.00 0.00 O ATOM 0 H SER A 52 4.219 -10.006 -8.256 1.00 0.00 H new ATOM 0 HA SER A 52 3.622 -8.545 -5.874 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.949 -6.585 -7.345 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.238 -7.753 -7.557 1.00 0.00 H new ATOM 0 HG SER A 52 4.408 -6.984 -9.582 1.00 0.00 H new ATOM 831 N ARG A 53 1.340 -7.494 -6.215 1.00 0.00 N ATOM 832 CA ARG A 53 -0.077 -7.146 -6.256 1.00 0.00 C ATOM 833 C ARG A 53 -0.276 -5.636 -6.162 1.00 0.00 C ATOM 834 O ARG A 53 0.496 -4.938 -5.504 1.00 0.00 O ATOM 835 CB ARG A 53 -0.827 -7.839 -5.118 1.00 0.00 C ATOM 836 CG ARG A 53 -0.841 -9.357 -5.227 1.00 0.00 C ATOM 837 CD ARG A 53 -1.643 -9.822 -6.434 1.00 0.00 C ATOM 838 NE ARG A 53 -1.702 -11.278 -6.524 1.00 0.00 N ATOM 839 CZ ARG A 53 -2.446 -11.933 -7.410 1.00 0.00 C ATOM 840 NH1 ARG A 53 -3.187 -11.264 -8.285 1.00 0.00 N ATOM 841 NH2 ARG A 53 -2.450 -13.260 -7.423 1.00 0.00 N ATOM 0 H ARG A 53 1.866 -7.034 -5.472 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.477 -7.487 -7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.371 -7.556 -4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.855 -7.476 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.181 -9.727 -5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.267 -9.784 -4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.655 -9.421 -6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.195 -9.420 -7.343 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.141 -11.824 -5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.187 -10.244 -8.279 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.757 -11.770 -8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.882 -13.778 -6.753 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.021 -13.762 -8.103 1.00 0.00 H new ATOM 855 N GLN A 54 -1.318 -5.142 -6.825 1.00 0.00 N ATOM 856 CA GLN A 54 -1.626 -3.716 -6.819 1.00 0.00 C ATOM 857 C GLN A 54 -3.049 -3.471 -6.322 1.00 0.00 C ATOM 858 O GLN A 54 -3.999 -4.089 -6.804 1.00 0.00 O ATOM 859 CB GLN A 54 -1.461 -3.132 -8.223 1.00 0.00 C ATOM 860 CG GLN A 54 -0.065 -3.324 -8.798 1.00 0.00 C ATOM 861 CD GLN A 54 0.188 -2.499 -10.050 1.00 0.00 C ATOM 862 OE1 GLN A 54 1.311 -2.060 -10.294 1.00 0.00 O ATOM 863 NE2 GLN A 54 -0.848 -2.292 -10.858 1.00 0.00 N ATOM 0 H GLN A 54 -1.964 -5.710 -7.374 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.930 -3.222 -6.141 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.187 -3.597 -8.889 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.691 -2.067 -8.195 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.672 -3.058 -8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.083 -4.379 -9.030 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.764 -2.673 -10.621 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.727 -1.752 -11.715 1.00 0.00 H new ATOM 872 N GLY A 55 -3.187 -2.568 -5.356 1.00 0.00 N ATOM 873 CA GLY A 55 -4.496 -2.256 -4.812 1.00 0.00 C ATOM 874 C GLY A 55 -4.585 -0.834 -4.296 1.00 0.00 C ATOM 875 O GLY A 55 -3.573 -0.234 -3.935 1.00 0.00 O ATOM 0 H GLY A 55 -2.415 -2.047 -4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.252 -2.408 -5.583 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.724 -2.948 -4.001 1.00 0.00 H new ATOM 879 N TRP A 56 -5.799 -0.292 -4.260 1.00 0.00 N ATOM 880 CA TRP A 56 -6.016 1.068 -3.780 1.00 0.00 C ATOM 881 C TRP A 56 -6.245 1.078 -2.272 1.00 0.00 C ATOM 882 O TRP A 56 -7.171 0.438 -1.773 1.00 0.00 O ATOM 883 CB TRP A 56 -7.212 1.700 -4.494 1.00 0.00 C ATOM 884 CG TRP A 56 -7.065 1.737 -5.985 1.00 0.00 C ATOM 885 CD1 TRP A 56 -7.217 0.692 -6.849 1.00 0.00 C ATOM 886 CD2 TRP A 56 -6.742 2.878 -6.787 1.00 0.00 C ATOM 887 NE1 TRP A 56 -7.006 1.113 -8.140 1.00 0.00 N ATOM 888 CE2 TRP A 56 -6.714 2.452 -8.128 1.00 0.00 C ATOM 889 CE3 TRP A 56 -6.475 4.220 -6.501 1.00 0.00 C ATOM 890 CZ2 TRP A 56 -6.429 3.319 -9.180 1.00 0.00 C ATOM 891 CZ3 TRP A 56 -6.191 5.080 -7.546 1.00 0.00 C ATOM 892 CH2 TRP A 56 -6.170 4.626 -8.871 1.00 0.00 C ATOM 0 H TRP A 56 -6.647 -0.774 -4.558 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.123 1.653 -4.000 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.113 1.143 -4.239 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -7.350 2.716 -4.125 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -7.467 -0.318 -6.560 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -7.058 0.525 -8.972 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.490 4.579 -5.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.413 2.972 -10.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.982 6.119 -7.337 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -5.945 5.322 -9.665 1.00 0.00 H new ATOM 903 N VAL A 57 -5.400 1.810 -1.552 1.00 0.00 N ATOM 904 CA VAL A 57 -5.510 1.896 -0.100 1.00 0.00 C ATOM 905 C VAL A 57 -5.637 3.346 0.358 1.00 0.00 C ATOM 906 O VAL A 57 -5.243 4.269 -0.355 1.00 0.00 O ATOM 907 CB VAL A 57 -4.290 1.254 0.590 1.00 0.00 C ATOM 908 CG1 VAL A 57 -4.588 0.965 2.053 1.00 0.00 C ATOM 909 CG2 VAL A 57 -3.869 -0.014 -0.140 1.00 0.00 C ATOM 0 H VAL A 57 -4.633 2.351 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.410 1.351 0.184 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.461 1.961 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.713 0.512 2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.832 1.896 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.433 0.280 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.007 -0.453 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.693 -0.727 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.605 0.229 -1.169 1.00 0.00 H new ATOM 919 N SER A 58 -6.190 3.540 1.554 1.00 0.00 N ATOM 920 CA SER A 58 -6.367 4.879 2.109 1.00 0.00 C ATOM 921 C SER A 58 -5.055 5.399 2.701 1.00 0.00 C ATOM 922 O SER A 58 -4.506 4.794 3.620 1.00 0.00 O ATOM 923 CB SER A 58 -7.453 4.868 3.186 1.00 0.00 C ATOM 924 OG SER A 58 -8.695 4.439 2.655 1.00 0.00 O ATOM 0 H SER A 58 -6.523 2.787 2.156 1.00 0.00 H new ATOM 0 HA SER A 58 -6.672 5.543 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.155 4.208 4.000 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.560 5.867 3.609 1.00 0.00 H new ATOM 0 HG SER A 58 -9.372 4.439 3.364 1.00 0.00 H new ATOM 930 N PRO A 59 -4.535 6.533 2.186 1.00 0.00 N ATOM 931 CA PRO A 59 -3.281 7.118 2.674 1.00 0.00 C ATOM 932 C PRO A 59 -3.426 7.707 4.072 1.00 0.00 C ATOM 933 O PRO A 59 -2.435 7.979 4.751 1.00 0.00 O ATOM 934 CB PRO A 59 -2.972 8.236 1.666 1.00 0.00 C ATOM 935 CG PRO A 59 -3.931 8.046 0.535 1.00 0.00 C ATOM 936 CD PRO A 59 -5.121 7.334 1.103 1.00 0.00 C ATOM 0 HA PRO A 59 -2.495 6.367 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.096 9.218 2.122 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.941 8.174 1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.221 9.005 0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.476 7.463 -0.266 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.870 8.032 1.476 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.612 6.709 0.357 1.00 0.00 H new ATOM 944 N ALA A 60 -4.670 7.899 4.491 1.00 0.00 N ATOM 945 CA ALA A 60 -4.964 8.465 5.804 1.00 0.00 C ATOM 946 C ALA A 60 -4.351 7.639 6.933 1.00 0.00 C ATOM 947 O ALA A 60 -3.813 8.191 7.893 1.00 0.00 O ATOM 948 CB ALA A 60 -6.468 8.578 5.996 1.00 0.00 C ATOM 0 H ALA A 60 -5.496 7.670 3.939 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.515 9.457 5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.679 9.001 6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.886 9.225 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.919 7.589 5.923 1.00 0.00 H new ATOM 954 N TYR A 61 -4.435 6.316 6.815 1.00 0.00 N ATOM 955 CA TYR A 61 -3.899 5.424 7.840 1.00 0.00 C ATOM 956 C TYR A 61 -2.498 4.935 7.482 1.00 0.00 C ATOM 957 O TYR A 61 -2.004 3.965 8.059 1.00 0.00 O ATOM 958 CB TYR A 61 -4.833 4.228 8.038 1.00 0.00 C ATOM 959 CG TYR A 61 -6.247 4.616 8.405 1.00 0.00 C ATOM 960 CD1 TYR A 61 -6.594 4.886 9.723 1.00 0.00 C ATOM 961 CD2 TYR A 61 -7.234 4.714 7.433 1.00 0.00 C ATOM 962 CE1 TYR A 61 -7.887 5.240 10.062 1.00 0.00 C ATOM 963 CE2 TYR A 61 -8.528 5.070 7.763 1.00 0.00 C ATOM 964 CZ TYR A 61 -8.849 5.331 9.078 1.00 0.00 C ATOM 965 OH TYR A 61 -10.137 5.684 9.411 1.00 0.00 O ATOM 0 H TYR A 61 -4.867 5.840 6.023 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.831 5.990 8.769 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.854 3.639 7.121 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.427 3.587 8.820 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.842 4.818 10.495 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.986 4.509 6.402 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.142 5.444 11.091 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.284 5.143 6.995 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.690 5.703 8.602 1.00 0.00 H new ATOM 975 N LEU A 62 -1.858 5.613 6.535 1.00 0.00 N ATOM 976 CA LEU A 62 -0.513 5.243 6.108 1.00 0.00 C ATOM 977 C LEU A 62 0.526 6.210 6.669 1.00 0.00 C ATOM 978 O LEU A 62 0.221 7.369 6.951 1.00 0.00 O ATOM 979 CB LEU A 62 -0.432 5.206 4.580 1.00 0.00 C ATOM 980 CG LEU A 62 -0.635 3.824 3.948 1.00 0.00 C ATOM 981 CD1 LEU A 62 -1.904 3.167 4.470 1.00 0.00 C ATOM 982 CD2 LEU A 62 -0.680 3.937 2.431 1.00 0.00 C ATOM 0 H LEU A 62 -2.248 6.420 6.049 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.296 4.248 6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.182 5.886 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.542 5.588 4.275 1.00 0.00 H new ATOM 0 HG LEU A 62 0.210 3.195 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.024 2.188 4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.835 3.050 5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.764 3.792 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.825 2.948 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.506 4.586 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.258 4.358 2.070 1.00 0.00 H new ATOM 994 N ASP A 63 1.754 5.722 6.828 1.00 0.00 N ATOM 995 CA ASP A 63 2.842 6.537 7.357 1.00 0.00 C ATOM 996 C ASP A 63 4.048 6.504 6.424 1.00 0.00 C ATOM 997 O ASP A 63 4.598 5.438 6.143 1.00 0.00 O ATOM 998 CB ASP A 63 3.248 6.045 8.747 1.00 0.00 C ATOM 999 CG ASP A 63 2.096 6.082 9.732 1.00 0.00 C ATOM 1000 OD1 ASP A 63 1.365 5.074 9.828 1.00 0.00 O ATOM 1001 OD2 ASP A 63 1.925 7.118 10.409 1.00 0.00 O ATOM 0 H ASP A 63 2.020 4.765 6.597 1.00 0.00 H new ATOM 0 HA ASP A 63 2.488 7.565 7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.626 5.025 8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.064 6.661 9.124 1.00 0.00 H new ATOM 1006 N ARG A 64 4.453 7.677 5.946 1.00 0.00 N ATOM 1007 CA ARG A 64 5.595 7.786 5.043 1.00 0.00 C ATOM 1008 C ARG A 64 6.853 7.197 5.674 1.00 0.00 C ATOM 1009 O ARG A 64 7.077 7.330 6.878 1.00 0.00 O ATOM 1010 CB ARG A 64 5.841 9.250 4.658 1.00 0.00 C ATOM 1011 CG ARG A 64 6.315 10.125 5.812 1.00 0.00 C ATOM 1012 CD ARG A 64 5.175 10.482 6.753 1.00 0.00 C ATOM 1013 NE ARG A 64 5.625 11.296 7.879 1.00 0.00 N ATOM 1014 CZ ARG A 64 4.816 11.739 8.837 1.00 0.00 C ATOM 1015 NH1 ARG A 64 3.520 11.457 8.798 1.00 0.00 N ATOM 1016 NH2 ARG A 64 5.301 12.466 9.835 1.00 0.00 N ATOM 0 H ARG A 64 4.007 8.567 6.169 1.00 0.00 H new ATOM 0 HA ARG A 64 5.361 7.217 4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.583 9.285 3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.919 9.668 4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.095 9.604 6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.760 11.038 5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.406 11.022 6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.716 9.568 7.128 1.00 0.00 H new ATOM 0 HE ARG A 64 6.614 11.538 7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.142 10.899 8.032 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.902 11.798 9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.296 12.686 9.869 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.679 12.805 10.569 1.00 0.00 H new ATOM 1030 N ARG A 65 7.669 6.540 4.854 1.00 0.00 N ATOM 1031 CA ARG A 65 8.905 5.931 5.332 1.00 0.00 C ATOM 1032 C ARG A 65 10.039 6.147 4.334 1.00 0.00 C ATOM 1033 O ARG A 65 9.998 5.640 3.212 1.00 0.00 O ATOM 1034 CB ARG A 65 8.700 4.435 5.575 1.00 0.00 C ATOM 1035 CG ARG A 65 9.845 3.779 6.329 1.00 0.00 C ATOM 1036 CD ARG A 65 9.618 2.285 6.493 1.00 0.00 C ATOM 1037 NE ARG A 65 10.618 1.670 7.363 1.00 0.00 N ATOM 1038 CZ ARG A 65 10.972 0.391 7.290 1.00 0.00 C ATOM 1039 NH1 ARG A 65 10.420 -0.403 6.382 1.00 0.00 N ATOM 1040 NH2 ARG A 65 11.882 -0.095 8.123 1.00 0.00 N ATOM 0 H ARG A 65 7.496 6.416 3.856 1.00 0.00 H new ATOM 0 HA ARG A 65 9.177 6.410 6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.776 4.290 6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.573 3.934 4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.780 3.950 5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.949 4.242 7.310 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.624 2.113 6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.645 1.805 5.515 1.00 0.00 H new ATOM 0 HE ARG A 65 11.070 2.255 8.066 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.722 -0.032 5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.694 -1.384 6.328 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.311 0.513 8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.153 -1.077 8.066 1.00 0.00 H new ATOM 1054 N LEU A 66 11.049 6.904 4.754 1.00 0.00 N ATOM 1055 CA LEU A 66 12.198 7.195 3.903 1.00 0.00 C ATOM 1056 C LEU A 66 13.260 6.107 4.025 1.00 0.00 C ATOM 1057 O LEU A 66 13.465 5.543 5.101 1.00 0.00 O ATOM 1058 CB LEU A 66 12.792 8.560 4.264 1.00 0.00 C ATOM 1059 CG LEU A 66 13.206 8.727 5.728 1.00 0.00 C ATOM 1060 CD1 LEU A 66 14.657 8.316 5.929 1.00 0.00 C ATOM 1061 CD2 LEU A 66 12.991 10.164 6.179 1.00 0.00 C ATOM 0 H LEU A 66 11.095 7.328 5.681 1.00 0.00 H new ATOM 0 HA LEU A 66 11.857 7.220 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.664 8.736 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.062 9.332 4.020 1.00 0.00 H new ATOM 0 HG LEU A 66 12.581 8.075 6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.929 8.443 6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.782 7.271 5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.301 8.939 5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.290 10.267 7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.591 10.833 5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.937 10.424 6.076 1.00 0.00 H new ATOM 1073 N LYS A 67 13.930 5.814 2.915 1.00 0.00 N ATOM 1074 CA LYS A 67 14.972 4.794 2.894 1.00 0.00 C ATOM 1075 C LYS A 67 16.276 5.355 2.334 1.00 0.00 C ATOM 1076 O LYS A 67 16.270 6.113 1.363 1.00 0.00 O ATOM 1077 CB LYS A 67 14.521 3.593 2.059 1.00 0.00 C ATOM 1078 CG LYS A 67 13.422 2.770 2.715 1.00 0.00 C ATOM 1079 CD LYS A 67 13.918 2.078 3.974 1.00 0.00 C ATOM 1080 CE LYS A 67 12.858 1.161 4.563 1.00 0.00 C ATOM 1081 NZ LYS A 67 12.498 0.058 3.629 1.00 0.00 N ATOM 0 H LYS A 67 13.769 6.270 2.017 1.00 0.00 H new ATOM 0 HA LYS A 67 15.149 4.471 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.168 3.947 1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.381 2.950 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.580 3.417 2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.055 2.024 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.813 1.500 3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.204 2.827 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.222 0.739 5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.967 1.742 4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.006 -0.694 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.874 0.425 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.362 -0.328 3.199 1.00 0.00 H new ATOM 1095 N LEU A 68 17.390 4.975 2.957 1.00 0.00 N ATOM 1096 CA LEU A 68 18.709 5.431 2.527 1.00 0.00 C ATOM 1097 C LEU A 68 18.784 6.957 2.535 1.00 0.00 C ATOM 1098 O LEU A 68 19.086 7.526 3.605 1.00 0.00 O ATOM 1099 CB LEU A 68 19.024 4.891 1.125 1.00 0.00 C ATOM 1100 CG LEU A 68 20.510 4.657 0.821 1.00 0.00 C ATOM 1101 CD1 LEU A 68 21.290 5.961 0.879 1.00 0.00 C ATOM 1102 CD2 LEU A 68 21.097 3.636 1.785 1.00 0.00 C ATOM 1103 OXT LEU A 68 18.545 7.568 1.473 1.00 0.00 O ATOM 0 H LEU A 68 17.404 4.351 3.763 1.00 0.00 H new ATOM 0 HA LEU A 68 19.451 5.048 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.492 3.949 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 68 18.627 5.590 0.389 1.00 0.00 H new ATOM 0 HG LEU A 68 20.591 4.262 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.340 5.767 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 68 20.889 6.658 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 68 21.201 6.394 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.151 3.482 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 68 20.998 4.002 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 68 20.562 2.691 1.685 1.00 0.00 H new TER 1115 LEU A 68