USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 -163:sc= -0.115 (180deg=-0.562) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 26:sc= 0.951 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -142:sc= 1.21 USER MOD Single : A 16 SER OG : rot 130:sc= 0.0884 USER MOD Single : A 20 SER OG : rot 180:sc=-0.00536 USER MOD Single : A 21 ASN :FLIP amide:sc=-0.00241 F(o=-0.81,f=-0.0024) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 29 SER OG : rot 78:sc= 1.11 USER MOD Single : A 30 MET CE :methyl 166:sc= -0.066 (180deg=-0.386) USER MOD Single : A 51 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.2) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.53 K(o=0.53,f=-0.17) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -15:sc= 1.09 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.041 1.049 -23.118 1.00 0.00 N ATOM 2 CA MET A 1 12.240 0.006 -22.444 1.00 0.00 C ATOM 3 C MET A 1 13.160 -1.033 -21.817 1.00 0.00 C ATOM 4 O MET A 1 13.838 -1.786 -22.514 1.00 0.00 O ATOM 5 CB MET A 1 11.290 -0.674 -23.433 1.00 0.00 C ATOM 6 CG MET A 1 10.453 -1.780 -22.808 1.00 0.00 C ATOM 7 SD MET A 1 9.411 -2.632 -24.013 1.00 0.00 S ATOM 8 CE MET A 1 8.372 -1.289 -24.581 1.00 0.00 C ATOM 0 H1 MET A 1 12.406 1.754 -23.543 1.00 0.00 H new ATOM 0 H2 MET A 1 13.660 1.515 -22.424 1.00 0.00 H new ATOM 0 H3 MET A 1 13.622 0.613 -23.862 1.00 0.00 H new ATOM 0 HA MET A 1 11.646 0.482 -21.664 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.625 0.077 -23.860 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.872 -1.090 -24.256 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.113 -2.503 -22.329 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.824 -1.356 -22.025 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.496 -1.695 -25.087 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.053 -0.690 -23.728 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.933 -0.663 -25.274 1.00 0.00 H new ATOM 17 N SER A 2 13.184 -1.058 -20.497 1.00 0.00 N ATOM 18 CA SER A 2 14.015 -1.993 -19.762 1.00 0.00 C ATOM 19 C SER A 2 13.159 -2.747 -18.753 1.00 0.00 C ATOM 20 O SER A 2 12.544 -2.142 -17.880 1.00 0.00 O ATOM 21 CB SER A 2 15.146 -1.242 -19.054 1.00 0.00 C ATOM 22 OG SER A 2 15.863 -0.424 -19.968 1.00 0.00 O ATOM 0 H SER A 2 12.632 -0.435 -19.908 1.00 0.00 H new ATOM 0 HA SER A 2 14.458 -2.709 -20.454 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.734 -0.626 -18.255 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.826 -1.956 -18.588 1.00 0.00 H new ATOM 0 HG SER A 2 16.579 0.047 -19.493 1.00 0.00 H new ATOM 28 N ALA A 3 13.096 -4.058 -18.889 1.00 0.00 N ATOM 29 CA ALA A 3 12.266 -4.868 -18.011 1.00 0.00 C ATOM 30 C ALA A 3 13.010 -5.246 -16.739 1.00 0.00 C ATOM 31 O ALA A 3 13.970 -6.015 -16.772 1.00 0.00 O ATOM 32 CB ALA A 3 11.790 -6.120 -18.729 1.00 0.00 C ATOM 0 H ALA A 3 13.607 -4.586 -19.596 1.00 0.00 H new ATOM 0 HA ALA A 3 11.399 -4.269 -17.732 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.171 -6.712 -18.055 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.206 -5.837 -19.605 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.652 -6.709 -19.042 1.00 0.00 H new ATOM 38 N LEU A 4 12.570 -4.698 -15.618 1.00 0.00 N ATOM 39 CA LEU A 4 13.144 -5.056 -14.333 1.00 0.00 C ATOM 40 C LEU A 4 12.410 -6.255 -13.759 1.00 0.00 C ATOM 41 O LEU A 4 11.183 -6.343 -13.839 1.00 0.00 O ATOM 42 CB LEU A 4 13.100 -3.877 -13.350 1.00 0.00 C ATOM 43 CG LEU A 4 14.210 -2.825 -13.521 1.00 0.00 C ATOM 44 CD1 LEU A 4 14.023 -2.035 -14.808 1.00 0.00 C ATOM 45 CD2 LEU A 4 14.249 -1.888 -12.324 1.00 0.00 C ATOM 0 H LEU A 4 11.821 -4.007 -15.572 1.00 0.00 H new ATOM 0 HA LEU A 4 14.191 -5.315 -14.487 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.135 -3.380 -13.450 1.00 0.00 H new ATOM 0 HB3 LEU A 4 13.152 -4.272 -12.335 1.00 0.00 H new ATOM 0 HG LEU A 4 15.163 -3.351 -13.582 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.822 -1.299 -14.903 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.053 -2.715 -15.660 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.060 -1.525 -14.785 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.040 -1.152 -12.464 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.291 -1.377 -12.230 1.00 0.00 H new ATOM 0 HD23 LEU A 4 14.444 -2.462 -11.418 1.00 0.00 H new ATOM 57 N GLN A 5 13.169 -7.179 -13.198 1.00 0.00 N ATOM 58 CA GLN A 5 12.609 -8.408 -12.668 1.00 0.00 C ATOM 59 C GLN A 5 12.066 -8.189 -11.261 1.00 0.00 C ATOM 60 O GLN A 5 12.762 -7.653 -10.399 1.00 0.00 O ATOM 61 CB GLN A 5 13.675 -9.506 -12.671 1.00 0.00 C ATOM 62 CG GLN A 5 14.228 -9.789 -14.056 1.00 0.00 C ATOM 63 CD GLN A 5 15.399 -10.746 -14.039 1.00 0.00 C ATOM 64 OE1 GLN A 5 15.502 -11.612 -13.171 1.00 0.00 O ATOM 65 NE2 GLN A 5 16.299 -10.589 -14.997 1.00 0.00 N ATOM 0 H GLN A 5 14.181 -7.100 -13.098 1.00 0.00 H new ATOM 0 HA GLN A 5 11.780 -8.720 -13.303 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.492 -9.214 -12.012 1.00 0.00 H new ATOM 0 HB3 GLN A 5 13.248 -10.421 -12.262 1.00 0.00 H new ATOM 0 HG2 GLN A 5 13.436 -10.203 -14.680 1.00 0.00 H new ATOM 0 HG3 GLN A 5 14.539 -8.851 -14.516 1.00 0.00 H new ATOM 0 HE21 GLN A 5 16.176 -9.858 -15.698 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.116 -11.199 -15.034 1.00 0.00 H new ATOM 74 N PRO A 6 10.805 -8.586 -11.022 1.00 0.00 N ATOM 75 CA PRO A 6 10.162 -8.441 -9.716 1.00 0.00 C ATOM 76 C PRO A 6 10.897 -9.222 -8.634 1.00 0.00 C ATOM 77 O PRO A 6 11.086 -10.436 -8.751 1.00 0.00 O ATOM 78 CB PRO A 6 8.760 -9.019 -9.928 1.00 0.00 C ATOM 79 CG PRO A 6 8.553 -9.015 -11.403 1.00 0.00 C ATOM 80 CD PRO A 6 9.910 -9.209 -12.009 1.00 0.00 C ATOM 0 HA PRO A 6 10.155 -7.404 -9.380 1.00 0.00 H new ATOM 0 HB2 PRO A 6 8.685 -10.028 -9.523 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.005 -8.416 -9.423 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.873 -9.812 -11.704 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.109 -8.076 -11.733 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.140 -10.265 -12.153 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.989 -8.729 -12.985 1.00 0.00 H new ATOM 88 N SER A 7 11.297 -8.533 -7.583 1.00 0.00 N ATOM 89 CA SER A 7 12.120 -9.143 -6.551 1.00 0.00 C ATOM 90 C SER A 7 11.290 -9.450 -5.305 1.00 0.00 C ATOM 91 O SER A 7 10.904 -10.599 -5.077 1.00 0.00 O ATOM 92 CB SER A 7 13.299 -8.223 -6.213 1.00 0.00 C ATOM 93 OG SER A 7 14.271 -8.878 -5.410 1.00 0.00 O ATOM 0 H SER A 7 11.067 -7.553 -7.419 1.00 0.00 H new ATOM 0 HA SER A 7 12.512 -10.088 -6.927 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.765 -7.876 -7.136 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.932 -7.340 -5.690 1.00 0.00 H new ATOM 0 HG SER A 7 15.007 -8.260 -5.218 1.00 0.00 H new ATOM 99 N ARG A 8 10.994 -8.428 -4.513 1.00 0.00 N ATOM 100 CA ARG A 8 10.291 -8.634 -3.256 1.00 0.00 C ATOM 101 C ARG A 8 8.796 -8.414 -3.404 1.00 0.00 C ATOM 102 O ARG A 8 8.315 -7.930 -4.433 1.00 0.00 O ATOM 103 CB ARG A 8 10.837 -7.711 -2.164 1.00 0.00 C ATOM 104 CG ARG A 8 12.223 -8.092 -1.691 1.00 0.00 C ATOM 105 CD ARG A 8 12.722 -7.146 -0.610 1.00 0.00 C ATOM 106 NE ARG A 8 14.079 -7.478 -0.174 1.00 0.00 N ATOM 107 CZ ARG A 8 14.492 -7.412 1.092 1.00 0.00 C ATOM 108 NH1 ARG A 8 13.668 -6.996 2.046 1.00 0.00 N ATOM 109 NH2 ARG A 8 15.737 -7.748 1.403 1.00 0.00 N ATOM 0 H ARG A 8 11.228 -7.456 -4.717 1.00 0.00 H new ATOM 0 HA ARG A 8 10.460 -9.671 -2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.858 -6.688 -2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.155 -7.724 -1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.210 -9.112 -1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.913 -8.079 -2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.702 -6.123 -0.986 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.047 -7.184 0.245 1.00 0.00 H new ATOM 0 HE ARG A 8 14.750 -7.778 -0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.713 -6.725 1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.990 -6.948 3.013 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.379 -8.057 0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.052 -7.697 2.372 1.00 0.00 H new ATOM 123 N SER A 9 8.074 -8.782 -2.366 1.00 0.00 N ATOM 124 CA SER A 9 6.641 -8.579 -2.312 1.00 0.00 C ATOM 125 C SER A 9 6.242 -8.147 -0.908 1.00 0.00 C ATOM 126 O SER A 9 6.787 -8.642 0.086 1.00 0.00 O ATOM 127 CB SER A 9 5.903 -9.858 -2.715 1.00 0.00 C ATOM 128 OG SER A 9 4.507 -9.640 -2.808 1.00 0.00 O ATOM 0 H SER A 9 8.464 -9.230 -1.537 1.00 0.00 H new ATOM 0 HA SER A 9 6.363 -7.795 -3.016 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.282 -10.212 -3.673 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.103 -10.641 -1.984 1.00 0.00 H new ATOM 0 HG SER A 9 4.336 -8.695 -3.001 1.00 0.00 H new ATOM 134 N TYR A 10 5.312 -7.212 -0.833 1.00 0.00 N ATOM 135 CA TYR A 10 4.864 -6.678 0.440 1.00 0.00 C ATOM 136 C TYR A 10 3.368 -6.912 0.585 1.00 0.00 C ATOM 137 O TYR A 10 2.595 -6.571 -0.312 1.00 0.00 O ATOM 138 CB TYR A 10 5.145 -5.172 0.526 1.00 0.00 C ATOM 139 CG TYR A 10 6.530 -4.764 0.076 1.00 0.00 C ATOM 140 CD1 TYR A 10 6.796 -4.509 -1.265 1.00 0.00 C ATOM 141 CD2 TYR A 10 7.566 -4.624 0.988 1.00 0.00 C ATOM 142 CE1 TYR A 10 8.054 -4.128 -1.682 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.828 -4.243 0.578 1.00 0.00 C ATOM 144 CZ TYR A 10 9.067 -3.997 -0.757 1.00 0.00 C ATOM 145 OH TYR A 10 10.321 -3.615 -1.171 1.00 0.00 O ATOM 0 H TYR A 10 4.849 -6.804 -1.646 1.00 0.00 H new ATOM 0 HA TYR A 10 5.405 -7.184 1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.410 -4.643 -0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.001 -4.847 1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.004 -4.611 -1.992 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.382 -4.816 2.035 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.244 -3.933 -2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.624 -4.138 1.300 1.00 0.00 H new ATOM 0 HH TYR A 10 10.921 -3.568 -0.397 1.00 0.00 H new ATOM 155 N ARG A 11 2.959 -7.495 1.696 1.00 0.00 N ATOM 156 CA ARG A 11 1.543 -7.728 1.933 1.00 0.00 C ATOM 157 C ARG A 11 0.964 -6.635 2.813 1.00 0.00 C ATOM 158 O ARG A 11 1.658 -6.065 3.651 1.00 0.00 O ATOM 159 CB ARG A 11 1.307 -9.090 2.582 1.00 0.00 C ATOM 160 CG ARG A 11 1.900 -10.248 1.803 1.00 0.00 C ATOM 161 CD ARG A 11 1.352 -11.575 2.294 1.00 0.00 C ATOM 162 NE ARG A 11 -0.082 -11.700 2.037 1.00 0.00 N ATOM 163 CZ ARG A 11 -0.881 -12.556 2.671 1.00 0.00 C ATOM 164 NH1 ARG A 11 -0.408 -13.301 3.662 1.00 0.00 N ATOM 165 NH2 ARG A 11 -2.161 -12.645 2.330 1.00 0.00 N ATOM 0 H ARG A 11 3.577 -7.814 2.442 1.00 0.00 H new ATOM 0 HA ARG A 11 1.040 -7.715 0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.733 -9.083 3.585 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.234 -9.249 2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.677 -10.129 0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.985 -10.240 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.882 -12.391 1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.539 -11.672 3.363 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.496 -11.094 1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.570 -13.219 3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.022 -13.956 4.146 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.532 -12.058 1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.774 -13.300 2.815 1.00 0.00 H new ATOM 179 N ILE A 12 -0.310 -6.349 2.622 1.00 0.00 N ATOM 180 CA ILE A 12 -0.980 -5.329 3.409 1.00 0.00 C ATOM 181 C ILE A 12 -1.537 -5.957 4.672 1.00 0.00 C ATOM 182 O ILE A 12 -2.391 -6.841 4.604 1.00 0.00 O ATOM 183 CB ILE A 12 -2.136 -4.661 2.631 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.681 -4.255 1.225 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.651 -3.445 3.393 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.780 -3.648 0.376 1.00 0.00 C ATOM 0 H ILE A 12 -0.902 -6.808 1.930 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.245 -4.560 3.648 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.946 -5.383 2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.864 -3.539 1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.284 -5.132 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.465 -2.983 2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.014 -3.756 4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.843 -2.725 3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.380 -3.387 -0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.589 -4.369 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.162 -2.751 0.863 1.00 0.00 H new ATOM 198 N THR A 13 -1.049 -5.517 5.819 1.00 0.00 N ATOM 199 CA THR A 13 -1.511 -6.058 7.083 1.00 0.00 C ATOM 200 C THR A 13 -2.626 -5.187 7.655 1.00 0.00 C ATOM 201 O THR A 13 -3.402 -5.628 8.501 1.00 0.00 O ATOM 202 CB THR A 13 -0.356 -6.197 8.105 1.00 0.00 C ATOM 203 OG1 THR A 13 -0.832 -6.793 9.319 1.00 0.00 O ATOM 204 CG2 THR A 13 0.269 -4.848 8.418 1.00 0.00 C ATOM 0 H THR A 13 -0.337 -4.791 5.900 1.00 0.00 H new ATOM 0 HA THR A 13 -1.902 -7.057 6.892 1.00 0.00 H new ATOM 0 HB THR A 13 0.404 -6.838 7.657 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.091 -6.876 9.955 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.076 -4.979 9.138 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.667 -4.410 7.503 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.488 -4.185 8.838 1.00 0.00 H new ATOM 212 N GLY A 14 -2.724 -3.954 7.167 1.00 0.00 N ATOM 213 CA GLY A 14 -3.750 -3.058 7.644 1.00 0.00 C ATOM 214 C GLY A 14 -3.508 -1.631 7.215 1.00 0.00 C ATOM 215 O GLY A 14 -2.737 -1.378 6.287 1.00 0.00 O ATOM 0 H GLY A 14 -2.110 -3.564 6.451 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.720 -3.388 7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.794 -3.106 8.732 1.00 0.00 H new ATOM 219 N TYR A 15 -4.155 -0.698 7.892 1.00 0.00 N ATOM 220 CA TYR A 15 -4.038 0.709 7.555 1.00 0.00 C ATOM 221 C TYR A 15 -3.175 1.429 8.576 1.00 0.00 C ATOM 222 O TYR A 15 -3.000 0.953 9.698 1.00 0.00 O ATOM 223 CB TYR A 15 -5.421 1.361 7.497 1.00 0.00 C ATOM 224 CG TYR A 15 -6.339 0.769 6.448 1.00 0.00 C ATOM 225 CD1 TYR A 15 -7.149 -0.323 6.737 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.397 1.307 5.171 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.986 -0.861 5.780 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.233 0.776 4.209 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.025 -0.308 4.518 1.00 0.00 C ATOM 230 OH TYR A 15 -8.854 -0.843 3.561 1.00 0.00 O ATOM 0 H TYR A 15 -4.770 -0.892 8.682 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.567 0.787 6.575 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.896 1.269 8.474 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.301 2.426 7.300 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -7.123 -0.757 7.725 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.777 2.156 4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.607 -1.711 6.019 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.266 1.208 3.220 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.404 -0.823 2.690 1.00 0.00 H new ATOM 240 N SER A 16 -2.632 2.564 8.166 1.00 0.00 N ATOM 241 CA SER A 16 -1.854 3.419 9.050 1.00 0.00 C ATOM 242 C SER A 16 -2.627 3.728 10.330 1.00 0.00 C ATOM 243 O SER A 16 -3.808 4.064 10.285 1.00 0.00 O ATOM 244 CB SER A 16 -1.514 4.724 8.332 1.00 0.00 C ATOM 245 OG SER A 16 -0.667 5.547 9.114 1.00 0.00 O ATOM 0 H SER A 16 -2.717 2.919 7.213 1.00 0.00 H new ATOM 0 HA SER A 16 -0.937 2.894 9.318 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.029 4.501 7.382 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.433 5.263 8.101 1.00 0.00 H new ATOM 0 HG SER A 16 0.093 5.843 8.571 1.00 0.00 H new ATOM 251 N PRO A 17 -1.966 3.621 11.492 1.00 0.00 N ATOM 252 CA PRO A 17 -2.581 3.920 12.791 1.00 0.00 C ATOM 253 C PRO A 17 -2.902 5.407 12.963 1.00 0.00 C ATOM 254 O PRO A 17 -3.372 5.836 14.022 1.00 0.00 O ATOM 255 CB PRO A 17 -1.519 3.485 13.809 1.00 0.00 C ATOM 256 CG PRO A 17 -0.550 2.652 13.044 1.00 0.00 C ATOM 257 CD PRO A 17 -0.575 3.178 11.642 1.00 0.00 C ATOM 0 HA PRO A 17 -3.536 3.407 12.906 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.027 4.349 14.255 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.967 2.917 14.624 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.450 2.725 13.471 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.832 1.600 13.072 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.129 3.999 11.504 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.314 2.409 10.915 1.00 0.00 H new ATOM 265 N ALA A 18 -2.637 6.188 11.924 1.00 0.00 N ATOM 266 CA ALA A 18 -2.918 7.614 11.936 1.00 0.00 C ATOM 267 C ALA A 18 -3.979 7.969 10.898 1.00 0.00 C ATOM 268 O ALA A 18 -4.266 9.144 10.667 1.00 0.00 O ATOM 269 CB ALA A 18 -1.640 8.396 11.671 1.00 0.00 C ATOM 0 H ALA A 18 -2.223 5.851 11.054 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.304 7.881 12.920 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.858 9.464 11.681 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.907 8.168 12.445 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.238 8.117 10.697 1.00 0.00 H new ATOM 275 N ILE A 19 -4.562 6.952 10.270 1.00 0.00 N ATOM 276 CA ILE A 19 -5.554 7.182 9.228 1.00 0.00 C ATOM 277 C ILE A 19 -6.952 7.306 9.828 1.00 0.00 C ATOM 278 O ILE A 19 -7.246 6.724 10.875 1.00 0.00 O ATOM 279 CB ILE A 19 -5.540 6.058 8.160 1.00 0.00 C ATOM 280 CG1 ILE A 19 -6.194 6.543 6.866 1.00 0.00 C ATOM 281 CG2 ILE A 19 -6.247 4.805 8.671 1.00 0.00 C ATOM 282 CD1 ILE A 19 -6.153 5.523 5.750 1.00 0.00 C ATOM 0 H ILE A 19 -4.366 5.970 10.463 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.290 8.119 8.738 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.500 5.802 7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.232 6.806 7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.694 7.453 6.534 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.222 4.034 7.901 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.742 4.441 9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.283 5.044 8.911 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.635 5.935 4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.116 5.278 5.519 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.678 4.621 6.062 1.00 0.00 H new ATOM 294 N SER A 20 -7.804 8.075 9.166 1.00 0.00 N ATOM 295 CA SER A 20 -9.174 8.245 9.606 1.00 0.00 C ATOM 296 C SER A 20 -10.066 7.177 8.975 1.00 0.00 C ATOM 297 O SER A 20 -9.716 6.599 7.941 1.00 0.00 O ATOM 298 CB SER A 20 -9.679 9.644 9.243 1.00 0.00 C ATOM 299 OG SER A 20 -10.995 9.849 9.720 1.00 0.00 O ATOM 0 H SER A 20 -7.566 8.591 8.319 1.00 0.00 H new ATOM 0 HA SER A 20 -9.210 8.134 10.690 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.014 10.396 9.667 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.657 9.773 8.161 1.00 0.00 H new ATOM 0 HG SER A 20 -11.294 10.750 9.477 1.00 0.00 H new ATOM 305 N ASN A 21 -11.215 6.930 9.600 1.00 0.00 N ATOM 306 CA ASN A 21 -12.165 5.923 9.124 1.00 0.00 C ATOM 307 C ASN A 21 -12.553 6.173 7.670 1.00 0.00 C ATOM 308 O ASN A 21 -12.587 5.249 6.862 1.00 0.00 O ATOM 309 CB ASN A 21 -13.434 5.915 9.987 1.00 0.00 C ATOM 310 CG ASN A 21 -13.185 5.521 11.434 1.00 0.00 C ATOM 311 OD1 ASN A 21 -12.227 4.634 11.668 1.00 0.00 O flip ATOM 312 ND2 ASN A 21 -13.866 6.001 12.340 1.00 0.00 N flip ATOM 0 H ASN A 21 -11.514 7.417 10.445 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.670 4.955 9.199 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.886 6.906 9.962 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -14.156 5.224 9.550 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.595 6.681 12.125 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.701 5.719 13.306 1.00 0.00 H new ATOM 319 N GLY A 22 -12.826 7.432 7.343 1.00 0.00 N ATOM 320 CA GLY A 22 -13.269 7.772 6.001 1.00 0.00 C ATOM 321 C GLY A 22 -12.202 7.535 4.952 1.00 0.00 C ATOM 322 O GLY A 22 -12.506 7.102 3.841 1.00 0.00 O ATOM 0 H GLY A 22 -12.749 8.223 7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.152 7.182 5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.569 8.820 5.977 1.00 0.00 H new ATOM 326 N TYR A 23 -10.952 7.798 5.301 1.00 0.00 N ATOM 327 CA TYR A 23 -9.856 7.599 4.364 1.00 0.00 C ATOM 328 C TYR A 23 -9.602 6.106 4.185 1.00 0.00 C ATOM 329 O TYR A 23 -9.195 5.655 3.118 1.00 0.00 O ATOM 330 CB TYR A 23 -8.587 8.308 4.848 1.00 0.00 C ATOM 331 CG TYR A 23 -7.738 8.862 3.723 1.00 0.00 C ATOM 332 CD1 TYR A 23 -7.049 8.020 2.859 1.00 0.00 C ATOM 333 CD2 TYR A 23 -7.638 10.233 3.520 1.00 0.00 C ATOM 334 CE1 TYR A 23 -6.283 8.530 1.826 1.00 0.00 C ATOM 335 CE2 TYR A 23 -6.874 10.750 2.493 1.00 0.00 C ATOM 336 CZ TYR A 23 -6.200 9.896 1.647 1.00 0.00 C ATOM 337 OH TYR A 23 -5.443 10.410 0.617 1.00 0.00 O ATOM 0 H TYR A 23 -10.672 8.147 6.218 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.132 8.032 3.403 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.868 9.123 5.516 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.990 7.608 5.432 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.112 6.951 2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.168 10.906 4.178 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.753 7.863 1.163 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.805 11.819 2.353 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.493 11.389 0.631 1.00 0.00 H new ATOM 347 N ARG A 24 -9.860 5.348 5.245 1.00 0.00 N ATOM 348 CA ARG A 24 -9.822 3.896 5.193 1.00 0.00 C ATOM 349 C ARG A 24 -10.866 3.390 4.212 1.00 0.00 C ATOM 350 O ARG A 24 -10.604 2.505 3.402 1.00 0.00 O ATOM 351 CB ARG A 24 -10.099 3.353 6.589 1.00 0.00 C ATOM 352 CG ARG A 24 -10.341 1.861 6.635 1.00 0.00 C ATOM 353 CD ARG A 24 -10.877 1.440 7.994 1.00 0.00 C ATOM 354 NE ARG A 24 -11.620 0.184 7.935 1.00 0.00 N ATOM 355 CZ ARG A 24 -12.851 0.034 8.420 1.00 0.00 C ATOM 356 NH1 ARG A 24 -13.459 1.055 9.015 1.00 0.00 N ATOM 357 NH2 ARG A 24 -13.468 -1.135 8.312 1.00 0.00 N ATOM 0 H ARG A 24 -10.101 5.725 6.162 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.842 3.557 4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.254 3.593 7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.970 3.864 7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.050 1.579 5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.412 1.331 6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.047 1.335 8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.525 2.224 8.385 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.172 -0.622 7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.983 1.953 9.100 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.402 0.941 9.387 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.000 -1.919 7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.411 -1.250 8.683 1.00 0.00 H new ATOM 371 N GLN A 25 -12.047 3.980 4.293 1.00 0.00 N ATOM 372 CA GLN A 25 -13.137 3.661 3.393 1.00 0.00 C ATOM 373 C GLN A 25 -12.751 3.970 1.957 1.00 0.00 C ATOM 374 O GLN A 25 -13.047 3.201 1.039 1.00 0.00 O ATOM 375 CB GLN A 25 -14.366 4.465 3.792 1.00 0.00 C ATOM 376 CG GLN A 25 -14.917 4.115 5.163 1.00 0.00 C ATOM 377 CD GLN A 25 -16.052 5.032 5.568 1.00 0.00 C ATOM 378 OE1 GLN A 25 -16.800 5.512 4.589 1.00 0.00 O flip ATOM 379 NE2 GLN A 25 -16.262 5.301 6.751 1.00 0.00 N flip ATOM 0 H GLN A 25 -12.275 4.693 4.986 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.359 2.596 3.463 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -14.115 5.526 3.773 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.147 4.309 3.048 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -15.268 3.083 5.160 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -14.118 4.178 5.902 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.662 4.910 7.477 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.036 5.915 7.005 1.00 0.00 H new ATOM 388 N ARG A 26 -12.091 5.105 1.778 1.00 0.00 N ATOM 389 CA ARG A 26 -11.567 5.504 0.483 1.00 0.00 C ATOM 390 C ARG A 26 -10.613 4.447 -0.049 1.00 0.00 C ATOM 391 O ARG A 26 -10.731 4.003 -1.190 1.00 0.00 O ATOM 392 CB ARG A 26 -10.844 6.846 0.613 1.00 0.00 C ATOM 393 CG ARG A 26 -10.211 7.342 -0.676 1.00 0.00 C ATOM 394 CD ARG A 26 -11.256 7.705 -1.717 1.00 0.00 C ATOM 395 NE ARG A 26 -10.641 8.273 -2.914 1.00 0.00 N ATOM 396 CZ ARG A 26 -10.784 9.540 -3.295 1.00 0.00 C ATOM 397 NH1 ARG A 26 -11.583 10.356 -2.618 1.00 0.00 N ATOM 398 NH2 ARG A 26 -10.139 9.985 -4.365 1.00 0.00 N ATOM 0 H ARG A 26 -11.905 5.773 2.526 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.395 5.608 -0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.553 7.594 0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.069 6.756 1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.591 8.213 -0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.552 6.572 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.827 6.817 -1.986 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.960 8.421 -1.293 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.067 7.661 -3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.090 10.013 -1.802 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.690 11.326 -2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.535 9.356 -4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.247 10.956 -4.659 1.00 0.00 H new ATOM 412 N LEU A 27 -9.693 4.028 0.802 1.00 0.00 N ATOM 413 CA LEU A 27 -8.667 3.072 0.414 1.00 0.00 C ATOM 414 C LEU A 27 -9.281 1.711 0.131 1.00 0.00 C ATOM 415 O LEU A 27 -8.908 1.037 -0.827 1.00 0.00 O ATOM 416 CB LEU A 27 -7.598 2.967 1.504 1.00 0.00 C ATOM 417 CG LEU A 27 -6.705 4.201 1.657 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.607 3.942 2.672 1.00 0.00 C ATOM 419 CD2 LEU A 27 -6.105 4.603 0.319 1.00 0.00 C ATOM 0 H LEU A 27 -9.634 4.336 1.773 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.193 3.427 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.090 2.773 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.967 2.105 1.290 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.323 5.024 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.983 4.830 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.053 3.707 3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.996 3.103 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.474 5.482 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.505 3.782 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.905 4.834 -0.384 1.00 0.00 H new ATOM 431 N PHE A 28 -10.243 1.330 0.955 1.00 0.00 N ATOM 432 CA PHE A 28 -10.950 0.067 0.793 1.00 0.00 C ATOM 433 C PHE A 28 -11.653 0.032 -0.559 1.00 0.00 C ATOM 434 O PHE A 28 -11.570 -0.949 -1.294 1.00 0.00 O ATOM 435 CB PHE A 28 -11.973 -0.093 1.918 1.00 0.00 C ATOM 436 CG PHE A 28 -12.547 -1.478 2.043 1.00 0.00 C ATOM 437 CD1 PHE A 28 -13.684 -1.844 1.336 1.00 0.00 C ATOM 438 CD2 PHE A 28 -11.954 -2.415 2.875 1.00 0.00 C ATOM 439 CE1 PHE A 28 -14.213 -3.115 1.455 1.00 0.00 C ATOM 440 CE2 PHE A 28 -12.483 -3.687 3.000 1.00 0.00 C ATOM 441 CZ PHE A 28 -13.612 -4.037 2.289 1.00 0.00 C ATOM 0 H PHE A 28 -10.556 1.884 1.752 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.234 -0.754 0.837 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.502 0.179 2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.788 0.612 1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -14.161 -1.127 0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.068 -2.149 3.432 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -15.096 -3.387 0.896 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.012 -4.406 3.654 1.00 0.00 H new ATOM 0 HZ PHE A 28 -14.025 -5.030 2.384 1.00 0.00 H new ATOM 451 N SER A 29 -12.329 1.124 -0.875 1.00 0.00 N ATOM 452 CA SER A 29 -13.046 1.259 -2.136 1.00 0.00 C ATOM 453 C SER A 29 -12.080 1.278 -3.320 1.00 0.00 C ATOM 454 O SER A 29 -12.407 0.821 -4.418 1.00 0.00 O ATOM 455 CB SER A 29 -13.875 2.537 -2.111 1.00 0.00 C ATOM 456 OG SER A 29 -14.780 2.529 -1.018 1.00 0.00 O ATOM 0 H SER A 29 -12.397 1.941 -0.268 1.00 0.00 H new ATOM 0 HA SER A 29 -13.704 0.399 -2.258 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.216 3.402 -2.037 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.427 2.636 -3.046 1.00 0.00 H new ATOM 0 HG SER A 29 -14.300 2.754 -0.194 1.00 0.00 H new ATOM 462 N MET A 30 -10.887 1.809 -3.088 1.00 0.00 N ATOM 463 CA MET A 30 -9.846 1.844 -4.111 1.00 0.00 C ATOM 464 C MET A 30 -9.298 0.445 -4.364 1.00 0.00 C ATOM 465 O MET A 30 -8.782 0.156 -5.445 1.00 0.00 O ATOM 466 CB MET A 30 -8.713 2.786 -3.694 1.00 0.00 C ATOM 467 CG MET A 30 -9.069 4.260 -3.813 1.00 0.00 C ATOM 468 SD MET A 30 -7.822 5.345 -3.085 1.00 0.00 S ATOM 469 CE MET A 30 -6.369 4.890 -4.030 1.00 0.00 C ATOM 0 H MET A 30 -10.614 2.224 -2.197 1.00 0.00 H new ATOM 0 HA MET A 30 -10.288 2.218 -5.034 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.434 2.571 -2.662 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.837 2.582 -4.310 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.195 4.514 -4.865 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.027 4.438 -3.325 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.587 5.634 -3.876 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.012 3.914 -3.701 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.623 4.845 -5.089 1.00 0.00 H new ATOM 479 N GLY A 31 -9.425 -0.420 -3.369 1.00 0.00 N ATOM 480 CA GLY A 31 -8.940 -1.777 -3.498 1.00 0.00 C ATOM 481 C GLY A 31 -7.765 -2.052 -2.588 1.00 0.00 C ATOM 482 O GLY A 31 -7.161 -3.123 -2.650 1.00 0.00 O ATOM 0 H GLY A 31 -9.857 -0.204 -2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.747 -2.473 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.647 -1.960 -4.532 1.00 0.00 H new ATOM 486 N LEU A 32 -7.450 -1.086 -1.734 1.00 0.00 N ATOM 487 CA LEU A 32 -6.319 -1.204 -0.827 1.00 0.00 C ATOM 488 C LEU A 32 -6.797 -1.645 0.548 1.00 0.00 C ATOM 489 O LEU A 32 -7.266 -0.834 1.346 1.00 0.00 O ATOM 490 CB LEU A 32 -5.573 0.131 -0.730 1.00 0.00 C ATOM 491 CG LEU A 32 -5.039 0.672 -2.062 1.00 0.00 C ATOM 492 CD1 LEU A 32 -4.392 2.033 -1.868 1.00 0.00 C ATOM 493 CD2 LEU A 32 -4.049 -0.306 -2.680 1.00 0.00 C ATOM 0 H LEU A 32 -7.965 -0.210 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.633 -1.956 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.242 0.874 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.737 0.014 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.881 0.787 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.020 2.399 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.128 2.733 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.563 1.945 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.682 0.096 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.211 -0.455 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.544 -1.260 -2.860 1.00 0.00 H new ATOM 505 N LEU A 33 -6.702 -2.940 0.808 1.00 0.00 N ATOM 506 CA LEU A 33 -7.182 -3.508 2.055 1.00 0.00 C ATOM 507 C LEU A 33 -6.248 -4.612 2.545 1.00 0.00 C ATOM 508 O LEU A 33 -5.489 -5.188 1.758 1.00 0.00 O ATOM 509 CB LEU A 33 -8.617 -4.026 1.861 1.00 0.00 C ATOM 510 CG LEU A 33 -8.871 -4.843 0.587 1.00 0.00 C ATOM 511 CD1 LEU A 33 -8.422 -6.288 0.760 1.00 0.00 C ATOM 512 CD2 LEU A 33 -10.341 -4.783 0.204 1.00 0.00 C ATOM 0 H LEU A 33 -6.294 -3.620 0.166 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.193 -2.735 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.879 -4.641 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.294 -3.172 1.862 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.281 -4.404 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.615 -6.841 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.355 -6.313 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.974 -6.745 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.505 -5.367 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.945 -5.192 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.628 -3.747 0.024 1.00 0.00 H new ATOM 524 N PRO A 34 -6.277 -4.909 3.856 1.00 0.00 N ATOM 525 CA PRO A 34 -5.440 -5.954 4.450 1.00 0.00 C ATOM 526 C PRO A 34 -5.706 -7.329 3.839 1.00 0.00 C ATOM 527 O PRO A 34 -6.851 -7.695 3.573 1.00 0.00 O ATOM 528 CB PRO A 34 -5.831 -5.943 5.934 1.00 0.00 C ATOM 529 CG PRO A 34 -7.139 -5.230 5.992 1.00 0.00 C ATOM 530 CD PRO A 34 -7.121 -4.246 4.861 1.00 0.00 C ATOM 0 HA PRO A 34 -4.380 -5.764 4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.918 -6.957 6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.078 -5.433 6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.969 -5.928 5.889 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.266 -4.723 6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.124 -4.051 4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.704 -3.287 5.168 1.00 0.00 H new ATOM 538 N GLY A 35 -4.638 -8.079 3.618 1.00 0.00 N ATOM 539 CA GLY A 35 -4.766 -9.402 3.040 1.00 0.00 C ATOM 540 C GLY A 35 -4.183 -9.479 1.644 1.00 0.00 C ATOM 541 O GLY A 35 -3.851 -10.565 1.163 1.00 0.00 O ATOM 0 H GLY A 35 -3.681 -7.795 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.264 -10.126 3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.819 -9.681 3.007 1.00 0.00 H new ATOM 545 N ALA A 36 -4.052 -8.331 0.990 1.00 0.00 N ATOM 546 CA ALA A 36 -3.512 -8.277 -0.350 1.00 0.00 C ATOM 547 C ALA A 36 -1.995 -8.213 -0.306 1.00 0.00 C ATOM 548 O ALA A 36 -1.387 -8.249 0.768 1.00 0.00 O ATOM 549 CB ALA A 36 -4.080 -7.082 -1.099 1.00 0.00 C ATOM 0 H ALA A 36 -4.316 -7.424 1.374 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.801 -9.184 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.665 -7.053 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.165 -7.170 -1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.818 -6.164 -0.572 1.00 0.00 H new ATOM 555 N ALA A 37 -1.395 -8.109 -1.471 1.00 0.00 N ATOM 556 CA ALA A 37 0.055 -8.115 -1.597 1.00 0.00 C ATOM 557 C ALA A 37 0.488 -7.497 -2.919 1.00 0.00 C ATOM 558 O ALA A 37 -0.097 -7.779 -3.964 1.00 0.00 O ATOM 559 CB ALA A 37 0.587 -9.536 -1.487 1.00 0.00 C ATOM 0 H ALA A 37 -1.891 -8.018 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 37 0.469 -7.516 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.673 -9.526 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.312 -9.954 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.158 -10.148 -2.281 1.00 0.00 H new ATOM 565 N LEU A 38 1.492 -6.638 -2.857 1.00 0.00 N ATOM 566 CA LEU A 38 2.065 -6.024 -4.044 1.00 0.00 C ATOM 567 C LEU A 38 3.447 -6.606 -4.304 1.00 0.00 C ATOM 568 O LEU A 38 4.205 -6.873 -3.370 1.00 0.00 O ATOM 569 CB LEU A 38 2.175 -4.501 -3.878 1.00 0.00 C ATOM 570 CG LEU A 38 0.866 -3.743 -3.616 1.00 0.00 C ATOM 571 CD1 LEU A 38 -0.204 -4.150 -4.612 1.00 0.00 C ATOM 572 CD2 LEU A 38 0.388 -3.936 -2.184 1.00 0.00 C ATOM 0 H LEU A 38 1.932 -6.347 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 38 1.409 -6.233 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.858 -4.296 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.631 -4.092 -4.779 1.00 0.00 H new ATOM 0 HG LEU A 38 1.065 -2.680 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.122 -3.599 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.135 -3.924 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.395 -5.219 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.541 -3.386 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.216 -4.996 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.146 -3.564 -1.494 1.00 0.00 H new ATOM 584 N ARG A 39 3.762 -6.821 -5.564 1.00 0.00 N ATOM 585 CA ARG A 39 5.077 -7.306 -5.948 1.00 0.00 C ATOM 586 C ARG A 39 5.851 -6.194 -6.642 1.00 0.00 C ATOM 587 O ARG A 39 5.351 -5.578 -7.581 1.00 0.00 O ATOM 588 CB ARG A 39 4.947 -8.542 -6.844 1.00 0.00 C ATOM 589 CG ARG A 39 6.251 -8.983 -7.490 1.00 0.00 C ATOM 590 CD ARG A 39 6.162 -10.410 -8.006 1.00 0.00 C ATOM 591 NE ARG A 39 6.494 -11.379 -6.965 1.00 0.00 N ATOM 592 CZ ARG A 39 5.760 -12.450 -6.669 1.00 0.00 C ATOM 593 NH1 ARG A 39 4.603 -12.668 -7.288 1.00 0.00 N ATOM 594 NH2 ARG A 39 6.191 -13.297 -5.743 1.00 0.00 N ATOM 0 H ARG A 39 3.124 -6.668 -6.345 1.00 0.00 H new ATOM 0 HA ARG A 39 5.630 -7.602 -5.056 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.551 -9.367 -6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.218 -8.334 -7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.496 -8.312 -8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.061 -8.907 -6.765 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.154 -10.602 -8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.840 -10.535 -8.850 1.00 0.00 H new ATOM 0 HE ARG A 39 7.347 -11.225 -6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.272 -12.012 -7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.047 -13.491 -7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.076 -13.124 -5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.637 -14.121 -5.508 1.00 0.00 H new ATOM 608 N VAL A 40 7.065 -5.936 -6.162 1.00 0.00 N ATOM 609 CA VAL A 40 7.849 -4.797 -6.626 1.00 0.00 C ATOM 610 C VAL A 40 8.275 -4.962 -8.083 1.00 0.00 C ATOM 611 O VAL A 40 8.806 -6.002 -8.482 1.00 0.00 O ATOM 612 CB VAL A 40 9.094 -4.550 -5.731 1.00 0.00 C ATOM 613 CG1 VAL A 40 10.160 -5.618 -5.926 1.00 0.00 C ATOM 614 CG2 VAL A 40 9.666 -3.164 -5.985 1.00 0.00 C ATOM 0 H VAL A 40 7.527 -6.502 -5.450 1.00 0.00 H new ATOM 0 HA VAL A 40 7.200 -3.924 -6.555 1.00 0.00 H new ATOM 0 HB VAL A 40 8.766 -4.610 -4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.012 -5.404 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.748 -6.594 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.485 -5.622 -6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.538 -3.008 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.960 -3.078 -7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.911 -2.411 -5.757 1.00 0.00 H new ATOM 624 N VAL A 41 7.983 -3.948 -8.879 1.00 0.00 N ATOM 625 CA VAL A 41 8.443 -3.897 -10.254 1.00 0.00 C ATOM 626 C VAL A 41 9.564 -2.870 -10.411 1.00 0.00 C ATOM 627 O VAL A 41 10.626 -3.188 -10.944 1.00 0.00 O ATOM 628 CB VAL A 41 7.293 -3.552 -11.230 1.00 0.00 C ATOM 629 CG1 VAL A 41 7.790 -3.523 -12.668 1.00 0.00 C ATOM 630 CG2 VAL A 41 6.154 -4.546 -11.086 1.00 0.00 C ATOM 0 H VAL A 41 7.425 -3.144 -8.593 1.00 0.00 H new ATOM 0 HA VAL A 41 8.820 -4.889 -10.501 1.00 0.00 H new ATOM 0 HB VAL A 41 6.923 -2.559 -10.976 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.963 -3.278 -13.334 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.571 -2.770 -12.768 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.193 -4.500 -12.934 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.355 -4.287 -11.780 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.517 -5.550 -11.308 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.772 -4.516 -10.066 1.00 0.00 H new ATOM 640 N ARG A 42 9.341 -1.645 -9.923 1.00 0.00 N ATOM 641 CA ARG A 42 10.303 -0.560 -10.133 1.00 0.00 C ATOM 642 C ARG A 42 10.200 0.559 -9.093 1.00 0.00 C ATOM 643 O ARG A 42 9.181 0.720 -8.424 1.00 0.00 O ATOM 644 CB ARG A 42 10.100 0.083 -11.508 1.00 0.00 C ATOM 645 CG ARG A 42 10.885 -0.559 -12.636 1.00 0.00 C ATOM 646 CD ARG A 42 11.271 0.483 -13.672 1.00 0.00 C ATOM 647 NE ARG A 42 11.969 1.603 -13.047 1.00 0.00 N ATOM 648 CZ ARG A 42 13.110 2.126 -13.485 1.00 0.00 C ATOM 649 NH1 ARG A 42 13.618 1.759 -14.658 1.00 0.00 N ATOM 650 NH2 ARG A 42 13.723 3.049 -12.755 1.00 0.00 N ATOM 0 H ARG A 42 8.514 -1.383 -9.387 1.00 0.00 H new ATOM 0 HA ARG A 42 11.283 -1.029 -10.047 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.039 0.047 -11.757 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.377 1.135 -11.445 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.781 -1.036 -12.239 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.288 -1.342 -13.103 1.00 0.00 H new ATOM 0 HD2 ARG A 42 11.909 0.029 -14.431 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.378 0.844 -14.181 1.00 0.00 H new ATOM 0 HE ARG A 42 11.550 2.014 -12.213 1.00 0.00 H new ATOM 0 HH11 ARG A 42 13.131 1.070 -15.231 1.00 0.00 H new ATOM 0 HH12 ARG A 42 14.494 2.167 -14.984 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.318 3.350 -11.868 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.599 3.458 -13.080 1.00 0.00 H new ATOM 664 N ILE A 43 11.283 1.324 -8.980 1.00 0.00 N ATOM 665 CA ILE A 43 11.266 2.637 -8.343 1.00 0.00 C ATOM 666 C ILE A 43 11.889 3.634 -9.328 1.00 0.00 C ATOM 667 O ILE A 43 12.828 3.288 -10.052 1.00 0.00 O ATOM 668 CB ILE A 43 12.059 2.671 -7.008 1.00 0.00 C ATOM 669 CG1 ILE A 43 11.433 1.702 -5.992 1.00 0.00 C ATOM 670 CG2 ILE A 43 12.112 4.094 -6.434 1.00 0.00 C ATOM 671 CD1 ILE A 43 12.194 1.610 -4.684 1.00 0.00 C ATOM 0 H ILE A 43 12.201 1.049 -9.329 1.00 0.00 H new ATOM 0 HA ILE A 43 10.234 2.890 -8.099 1.00 0.00 H new ATOM 0 HB ILE A 43 13.082 2.353 -7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.411 2.018 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 43 11.376 0.709 -6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.673 4.089 -5.499 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.602 4.756 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.099 4.449 -6.247 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.691 0.907 -4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 43 13.209 1.264 -4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.229 2.593 -4.214 1.00 0.00 H new ATOM 683 N ALA A 44 11.359 4.843 -9.381 1.00 0.00 N ATOM 684 CA ALA A 44 11.845 5.853 -10.315 1.00 0.00 C ATOM 685 C ALA A 44 13.056 6.595 -9.757 1.00 0.00 C ATOM 686 O ALA A 44 13.096 6.926 -8.570 1.00 0.00 O ATOM 687 CB ALA A 44 10.741 6.845 -10.648 1.00 0.00 C ATOM 0 H ALA A 44 10.589 5.154 -8.788 1.00 0.00 H new ATOM 0 HA ALA A 44 12.152 5.337 -11.225 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.121 7.591 -11.346 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.902 6.317 -11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.408 7.338 -9.735 1.00 0.00 H new ATOM 693 N PRO A 45 14.051 6.885 -10.618 1.00 0.00 N ATOM 694 CA PRO A 45 15.246 7.656 -10.236 1.00 0.00 C ATOM 695 C PRO A 45 14.907 9.103 -9.872 1.00 0.00 C ATOM 696 O PRO A 45 15.763 9.856 -9.406 1.00 0.00 O ATOM 697 CB PRO A 45 16.126 7.605 -11.490 1.00 0.00 C ATOM 698 CG PRO A 45 15.185 7.324 -12.608 1.00 0.00 C ATOM 699 CD PRO A 45 14.102 6.462 -12.029 1.00 0.00 C ATOM 0 HA PRO A 45 15.730 7.246 -9.350 1.00 0.00 H new ATOM 0 HB2 PRO A 45 16.651 8.548 -11.643 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.885 6.827 -11.408 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.773 8.248 -13.013 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.693 6.815 -13.427 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.148 6.622 -12.532 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.338 5.402 -12.123 1.00 0.00 H new ATOM 707 N LEU A 46 13.647 9.478 -10.100 1.00 0.00 N ATOM 708 CA LEU A 46 13.114 10.777 -9.682 1.00 0.00 C ATOM 709 C LEU A 46 13.265 10.951 -8.183 1.00 0.00 C ATOM 710 O LEU A 46 13.389 12.063 -7.669 1.00 0.00 O ATOM 711 CB LEU A 46 11.623 10.882 -10.033 1.00 0.00 C ATOM 712 CG LEU A 46 11.295 11.189 -11.497 1.00 0.00 C ATOM 713 CD1 LEU A 46 11.696 10.035 -12.406 1.00 0.00 C ATOM 714 CD2 LEU A 46 9.813 11.502 -11.650 1.00 0.00 C ATOM 0 H LEU A 46 12.966 8.889 -10.580 1.00 0.00 H new ATOM 0 HA LEU A 46 13.674 11.553 -10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.140 9.943 -9.763 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.178 11.659 -9.412 1.00 0.00 H new ATOM 0 HG LEU A 46 11.871 12.064 -11.798 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.450 10.283 -13.439 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.768 9.860 -12.320 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.157 9.135 -12.111 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.593 11.719 -12.695 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.224 10.644 -11.325 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.559 12.368 -11.039 1.00 0.00 H new ATOM 726 N GLY A 47 13.246 9.831 -7.498 1.00 0.00 N ATOM 727 CA GLY A 47 13.282 9.819 -6.067 1.00 0.00 C ATOM 728 C GLY A 47 12.637 8.574 -5.563 1.00 0.00 C ATOM 729 O GLY A 47 13.322 7.623 -5.188 1.00 0.00 O ATOM 0 H GLY A 47 13.205 8.905 -7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.313 9.874 -5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.765 10.694 -5.672 1.00 0.00 H new ATOM 733 N ASP A 48 11.310 8.562 -5.592 1.00 0.00 N ATOM 734 CA ASP A 48 10.574 7.379 -5.248 1.00 0.00 C ATOM 735 C ASP A 48 9.089 7.492 -5.550 1.00 0.00 C ATOM 736 O ASP A 48 8.407 8.438 -5.155 1.00 0.00 O ATOM 737 CB ASP A 48 10.747 7.092 -3.757 1.00 0.00 C ATOM 738 CG ASP A 48 10.192 8.194 -2.863 1.00 0.00 C ATOM 739 OD1 ASP A 48 10.619 9.363 -2.999 1.00 0.00 O ATOM 740 OD2 ASP A 48 9.326 7.897 -2.012 1.00 0.00 O ATOM 0 H ASP A 48 10.734 9.363 -5.851 1.00 0.00 H new ATOM 0 HA ASP A 48 10.974 6.570 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.250 6.153 -3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.807 6.957 -3.541 1.00 0.00 H new ATOM 745 N PRO A 49 8.614 6.541 -6.339 1.00 0.00 N ATOM 746 CA PRO A 49 7.323 5.932 -6.231 1.00 0.00 C ATOM 747 C PRO A 49 7.531 4.468 -5.879 1.00 0.00 C ATOM 748 O PRO A 49 8.619 4.082 -5.447 1.00 0.00 O ATOM 749 CB PRO A 49 6.816 6.060 -7.663 1.00 0.00 C ATOM 750 CG PRO A 49 8.061 5.947 -8.507 1.00 0.00 C ATOM 751 CD PRO A 49 9.246 6.074 -7.564 1.00 0.00 C ATOM 0 HA PRO A 49 6.653 6.363 -5.487 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.099 5.275 -7.903 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.311 7.013 -7.823 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.086 4.992 -9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.086 6.729 -9.266 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.757 5.122 -7.421 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.988 6.781 -7.935 1.00 0.00 H new ATOM 759 N ILE A 50 6.529 3.654 -6.080 1.00 0.00 N ATOM 760 CA ILE A 50 6.732 2.221 -6.042 1.00 0.00 C ATOM 761 C ILE A 50 5.880 1.563 -7.118 1.00 0.00 C ATOM 762 O ILE A 50 4.664 1.446 -6.981 1.00 0.00 O ATOM 763 CB ILE A 50 6.409 1.594 -4.658 1.00 0.00 C ATOM 764 CG1 ILE A 50 7.237 2.249 -3.545 1.00 0.00 C ATOM 765 CG2 ILE A 50 6.675 0.096 -4.688 1.00 0.00 C ATOM 766 CD1 ILE A 50 6.991 1.665 -2.171 1.00 0.00 C ATOM 0 H ILE A 50 5.571 3.949 -6.270 1.00 0.00 H new ATOM 0 HA ILE A 50 7.791 2.042 -6.226 1.00 0.00 H new ATOM 0 HB ILE A 50 5.354 1.770 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.295 2.150 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.015 3.316 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.445 -0.334 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.047 -0.370 -5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.724 -0.083 -4.925 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.613 2.181 -1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.941 1.788 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.242 0.604 -2.176 1.00 0.00 H new ATOM 778 N GLN A 51 6.524 1.186 -8.207 1.00 0.00 N ATOM 779 CA GLN A 51 5.856 0.498 -9.296 1.00 0.00 C ATOM 780 C GLN A 51 5.704 -0.961 -8.903 1.00 0.00 C ATOM 781 O GLN A 51 6.696 -1.633 -8.657 1.00 0.00 O ATOM 782 CB GLN A 51 6.688 0.609 -10.576 1.00 0.00 C ATOM 783 CG GLN A 51 5.906 0.389 -11.862 1.00 0.00 C ATOM 784 CD GLN A 51 5.174 1.637 -12.322 1.00 0.00 C ATOM 785 OE1 GLN A 51 5.727 2.454 -13.061 1.00 0.00 O ATOM 786 NE2 GLN A 51 3.934 1.793 -11.895 1.00 0.00 N ATOM 0 H GLN A 51 7.519 1.347 -8.361 1.00 0.00 H new ATOM 0 HA GLN A 51 4.880 0.945 -9.483 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.147 1.597 -10.610 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.499 -0.118 -10.531 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.589 0.063 -12.647 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.186 -0.415 -11.712 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.513 1.093 -11.284 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.397 2.614 -12.176 1.00 0.00 H new ATOM 795 N VAL A 52 4.477 -1.436 -8.812 1.00 0.00 N ATOM 796 CA VAL A 52 4.214 -2.796 -8.364 1.00 0.00 C ATOM 797 C VAL A 52 3.153 -3.464 -9.221 1.00 0.00 C ATOM 798 O VAL A 52 2.535 -2.825 -10.069 1.00 0.00 O ATOM 799 CB VAL A 52 3.745 -2.840 -6.893 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.865 -2.454 -5.942 1.00 0.00 C ATOM 801 CG2 VAL A 52 2.531 -1.942 -6.681 1.00 0.00 C ATOM 0 H VAL A 52 3.641 -0.900 -9.043 1.00 0.00 H new ATOM 0 HA VAL A 52 5.159 -3.332 -8.456 1.00 0.00 H new ATOM 0 HB VAL A 52 3.456 -3.868 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.501 -2.495 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.698 -3.147 -6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.201 -1.442 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.220 -1.991 -5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.790 -0.914 -6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.714 -2.278 -7.319 1.00 0.00 H new ATOM 811 N GLU A 53 2.932 -4.747 -8.979 1.00 0.00 N ATOM 812 CA GLU A 53 1.901 -5.496 -9.672 1.00 0.00 C ATOM 813 C GLU A 53 0.974 -6.130 -8.649 1.00 0.00 C ATOM 814 O GLU A 53 1.415 -6.552 -7.578 1.00 0.00 O ATOM 815 CB GLU A 53 2.524 -6.561 -10.582 1.00 0.00 C ATOM 816 CG GLU A 53 1.509 -7.411 -11.334 1.00 0.00 C ATOM 817 CD GLU A 53 0.510 -6.581 -12.116 1.00 0.00 C ATOM 818 OE1 GLU A 53 0.897 -5.994 -13.150 1.00 0.00 O ATOM 819 OE2 GLU A 53 -0.666 -6.501 -11.685 1.00 0.00 O ATOM 0 H GLU A 53 3.461 -5.294 -8.300 1.00 0.00 H new ATOM 0 HA GLU A 53 1.326 -4.820 -10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.176 -6.069 -11.304 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.153 -7.215 -9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.035 -8.077 -12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.974 -8.042 -10.624 1.00 0.00 H new ATOM 826 N THR A 54 -0.306 -6.171 -8.972 1.00 0.00 N ATOM 827 CA THR A 54 -1.300 -6.705 -8.067 1.00 0.00 C ATOM 828 C THR A 54 -1.852 -8.027 -8.592 1.00 0.00 C ATOM 829 O THR A 54 -2.072 -8.968 -7.821 1.00 0.00 O ATOM 830 CB THR A 54 -2.456 -5.707 -7.874 1.00 0.00 C ATOM 831 OG1 THR A 54 -1.931 -4.392 -7.644 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.344 -6.111 -6.704 1.00 0.00 C ATOM 0 H THR A 54 -0.680 -5.838 -9.860 1.00 0.00 H new ATOM 0 HA THR A 54 -0.816 -6.877 -7.106 1.00 0.00 H new ATOM 0 HB THR A 54 -3.060 -5.711 -8.782 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.671 -3.761 -7.524 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.151 -5.387 -6.593 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.766 -7.099 -6.891 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.751 -6.137 -5.789 1.00 0.00 H new ATOM 840 N ARG A 55 -2.052 -8.098 -9.911 1.00 0.00 N ATOM 841 CA ARG A 55 -2.632 -9.279 -10.545 1.00 0.00 C ATOM 842 C ARG A 55 -2.770 -9.108 -12.061 1.00 0.00 C ATOM 843 O ARG A 55 -2.424 -10.012 -12.821 1.00 0.00 O ATOM 844 CB ARG A 55 -4.004 -9.618 -9.937 1.00 0.00 C ATOM 845 CG ARG A 55 -5.017 -8.484 -9.987 1.00 0.00 C ATOM 846 CD ARG A 55 -6.373 -8.927 -9.463 1.00 0.00 C ATOM 847 NE ARG A 55 -7.325 -7.819 -9.424 1.00 0.00 N ATOM 848 CZ ARG A 55 -8.567 -7.880 -9.906 1.00 0.00 C ATOM 849 NH1 ARG A 55 -9.014 -9.002 -10.462 1.00 0.00 N ATOM 850 NH2 ARG A 55 -9.360 -6.818 -9.830 1.00 0.00 N ATOM 0 H ARG A 55 -1.819 -7.347 -10.560 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.944 -10.103 -10.356 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.417 -10.479 -10.462 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.863 -9.916 -8.898 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.654 -7.644 -9.396 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.120 -8.131 -11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.766 -9.722 -10.096 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.258 -9.344 -8.462 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.020 -6.942 -9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.407 -9.819 -10.521 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.964 -9.045 -10.830 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.019 -5.957 -9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.310 -6.864 -10.198 1.00 0.00 H new ATOM 864 N GLN A 56 -3.271 -7.954 -12.500 1.00 0.00 N ATOM 865 CA GLN A 56 -3.617 -7.768 -13.911 1.00 0.00 C ATOM 866 C GLN A 56 -3.076 -6.464 -14.490 1.00 0.00 C ATOM 867 O GLN A 56 -3.054 -6.290 -15.708 1.00 0.00 O ATOM 868 CB GLN A 56 -5.137 -7.805 -14.091 1.00 0.00 C ATOM 869 CG GLN A 56 -5.735 -9.196 -13.961 1.00 0.00 C ATOM 870 CD GLN A 56 -5.277 -10.132 -15.066 1.00 0.00 C ATOM 871 OE1 GLN A 56 -5.906 -10.226 -16.117 1.00 0.00 O ATOM 872 NE2 GLN A 56 -4.170 -10.820 -14.842 1.00 0.00 N ATOM 0 H GLN A 56 -3.445 -7.142 -11.908 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.148 -8.588 -14.455 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.597 -7.151 -13.351 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.387 -7.402 -15.072 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.459 -9.618 -12.995 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.822 -9.123 -13.978 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.675 -10.715 -13.956 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.811 -11.455 -15.555 1.00 0.00 H new ATOM 881 N THR A 57 -2.640 -5.560 -13.635 1.00 0.00 N ATOM 882 CA THR A 57 -2.190 -4.253 -14.087 1.00 0.00 C ATOM 883 C THR A 57 -1.229 -3.645 -13.072 1.00 0.00 C ATOM 884 O THR A 57 -1.505 -3.619 -11.870 1.00 0.00 O ATOM 885 CB THR A 57 -3.388 -3.300 -14.352 1.00 0.00 C ATOM 886 OG1 THR A 57 -2.929 -2.036 -14.861 1.00 0.00 O ATOM 887 CG2 THR A 57 -4.216 -3.071 -13.093 1.00 0.00 C ATOM 0 H THR A 57 -2.587 -5.703 -12.626 1.00 0.00 H new ATOM 0 HA THR A 57 -1.663 -4.386 -15.032 1.00 0.00 H new ATOM 0 HB THR A 57 -4.022 -3.782 -15.096 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.698 -1.450 -15.023 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.044 -2.399 -13.319 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.608 -4.024 -12.737 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.589 -2.626 -12.321 1.00 0.00 H new ATOM 895 N SER A 58 -0.089 -3.187 -13.563 1.00 0.00 N ATOM 896 CA SER A 58 0.940 -2.635 -12.705 1.00 0.00 C ATOM 897 C SER A 58 0.568 -1.225 -12.258 1.00 0.00 C ATOM 898 O SER A 58 0.077 -0.411 -13.048 1.00 0.00 O ATOM 899 CB SER A 58 2.280 -2.635 -13.438 1.00 0.00 C ATOM 900 OG SER A 58 2.558 -3.917 -13.985 1.00 0.00 O ATOM 0 H SER A 58 0.145 -3.188 -14.556 1.00 0.00 H new ATOM 0 HA SER A 58 1.028 -3.257 -11.814 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.264 -1.891 -14.234 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.075 -2.348 -12.750 1.00 0.00 H new ATOM 0 HG SER A 58 1.963 -4.582 -13.579 1.00 0.00 H new ATOM 906 N LEU A 59 0.813 -0.946 -10.994 1.00 0.00 N ATOM 907 CA LEU A 59 0.428 0.319 -10.392 1.00 0.00 C ATOM 908 C LEU A 59 1.606 0.985 -9.717 1.00 0.00 C ATOM 909 O LEU A 59 2.700 0.425 -9.652 1.00 0.00 O ATOM 910 CB LEU A 59 -0.701 0.112 -9.382 1.00 0.00 C ATOM 911 CG LEU A 59 -2.100 0.059 -9.982 1.00 0.00 C ATOM 912 CD1 LEU A 59 -3.085 -0.560 -9.003 1.00 0.00 C ATOM 913 CD2 LEU A 59 -2.555 1.456 -10.374 1.00 0.00 C ATOM 0 H LEU A 59 1.283 -1.586 -10.354 1.00 0.00 H new ATOM 0 HA LEU A 59 0.076 0.971 -11.191 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.519 -0.817 -8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.666 0.919 -8.650 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.067 -0.566 -10.874 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.077 -0.587 -9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.768 -1.575 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.116 0.037 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.556 1.406 -10.802 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.569 2.095 -9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.866 1.870 -11.110 1.00 0.00 H new ATOM 925 N ALA A 60 1.372 2.191 -9.241 1.00 0.00 N ATOM 926 CA ALA A 60 2.389 2.954 -8.533 1.00 0.00 C ATOM 927 C ALA A 60 1.801 3.582 -7.277 1.00 0.00 C ATOM 928 O ALA A 60 0.583 3.709 -7.150 1.00 0.00 O ATOM 929 CB ALA A 60 2.976 4.029 -9.441 1.00 0.00 C ATOM 0 H ALA A 60 0.477 2.671 -9.332 1.00 0.00 H new ATOM 0 HA ALA A 60 3.190 2.275 -8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.735 4.591 -8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.429 3.560 -10.315 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.184 4.706 -9.762 1.00 0.00 H new ATOM 935 N LEU A 61 2.664 3.970 -6.353 1.00 0.00 N ATOM 936 CA LEU A 61 2.232 4.599 -5.120 1.00 0.00 C ATOM 937 C LEU A 61 3.331 5.523 -4.633 1.00 0.00 C ATOM 938 O LEU A 61 4.484 5.377 -5.037 1.00 0.00 O ATOM 939 CB LEU A 61 1.865 3.540 -4.066 1.00 0.00 C ATOM 940 CG LEU A 61 2.978 2.575 -3.663 1.00 0.00 C ATOM 941 CD1 LEU A 61 3.775 3.133 -2.496 1.00 0.00 C ATOM 942 CD2 LEU A 61 2.401 1.212 -3.318 1.00 0.00 C ATOM 0 H LEU A 61 3.674 3.859 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 61 1.332 5.187 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.517 4.055 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.026 2.956 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 61 3.654 2.457 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.563 2.430 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.221 4.085 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.114 3.284 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.208 0.537 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.702 1.312 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.879 0.808 -4.185 1.00 0.00 H new ATOM 954 N ARG A 62 2.983 6.486 -3.800 1.00 0.00 N ATOM 955 CA ARG A 62 3.947 7.473 -3.356 1.00 0.00 C ATOM 956 C ARG A 62 4.283 7.251 -1.895 1.00 0.00 C ATOM 957 O ARG A 62 3.700 6.387 -1.250 1.00 0.00 O ATOM 958 CB ARG A 62 3.423 8.895 -3.553 1.00 0.00 C ATOM 959 CG ARG A 62 3.041 9.227 -4.986 1.00 0.00 C ATOM 960 CD ARG A 62 1.786 8.485 -5.403 1.00 0.00 C ATOM 961 NE ARG A 62 1.322 8.824 -6.745 1.00 0.00 N ATOM 962 CZ ARG A 62 0.241 8.281 -7.309 1.00 0.00 C ATOM 963 NH1 ARG A 62 -0.538 7.466 -6.604 1.00 0.00 N ATOM 964 NH2 ARG A 62 -0.068 8.558 -8.569 1.00 0.00 N ATOM 0 H ARG A 62 2.044 6.605 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 62 4.846 7.355 -3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.552 9.041 -2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.185 9.600 -3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.881 10.301 -5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.861 8.965 -5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.975 7.413 -5.354 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.992 8.702 -4.688 1.00 0.00 H new ATOM 0 HE ARG A 62 1.852 9.512 -7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.309 7.256 -5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.364 7.051 -7.035 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.522 9.189 -9.112 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.895 8.140 -8.995 1.00 0.00 H new ATOM 978 N ARG A 63 5.212 8.040 -1.378 1.00 0.00 N ATOM 979 CA ARG A 63 5.601 7.950 0.030 1.00 0.00 C ATOM 980 C ARG A 63 4.418 8.261 0.947 1.00 0.00 C ATOM 981 O ARG A 63 4.246 7.631 1.988 1.00 0.00 O ATOM 982 CB ARG A 63 6.774 8.890 0.326 1.00 0.00 C ATOM 983 CG ARG A 63 6.505 10.349 -0.006 1.00 0.00 C ATOM 984 CD ARG A 63 7.712 11.218 0.307 1.00 0.00 C ATOM 985 NE ARG A 63 8.905 10.801 -0.430 1.00 0.00 N ATOM 986 CZ ARG A 63 10.145 11.196 -0.130 1.00 0.00 C ATOM 987 NH1 ARG A 63 10.362 12.025 0.884 1.00 0.00 N ATOM 988 NH2 ARG A 63 11.168 10.770 -0.856 1.00 0.00 N ATOM 0 H ARG A 63 5.714 8.752 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 63 5.920 6.927 0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.030 8.811 1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.644 8.555 -0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.250 10.443 -1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.644 10.701 0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.482 12.255 0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.917 11.179 1.377 1.00 0.00 H new ATOM 0 HE ARG A 63 8.782 10.170 -1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.578 12.365 1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.312 12.321 1.106 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.008 10.141 -1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.116 11.071 -0.628 1.00 0.00 H new ATOM 1002 N LYS A 64 3.604 9.230 0.544 1.00 0.00 N ATOM 1003 CA LYS A 64 2.391 9.578 1.282 1.00 0.00 C ATOM 1004 C LYS A 64 1.407 8.411 1.263 1.00 0.00 C ATOM 1005 O LYS A 64 0.888 8.005 2.302 1.00 0.00 O ATOM 1006 CB LYS A 64 1.740 10.827 0.673 1.00 0.00 C ATOM 1007 CG LYS A 64 0.409 11.207 1.309 1.00 0.00 C ATOM 1008 CD LYS A 64 0.574 11.657 2.752 1.00 0.00 C ATOM 1009 CE LYS A 64 -0.776 11.928 3.398 1.00 0.00 C ATOM 1010 NZ LYS A 64 -0.646 12.506 4.763 1.00 0.00 N ATOM 0 H LYS A 64 3.761 9.792 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 64 2.661 9.791 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.429 11.666 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.587 10.661 -0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.054 12.007 0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.268 10.353 1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.104 10.890 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.185 12.559 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.346 12.612 2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.343 10.999 3.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.592 12.673 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.126 11.843 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.129 13.407 4.711 1.00 0.00 H new ATOM 1024 N ASP A 65 1.170 7.877 0.070 1.00 0.00 N ATOM 1025 CA ASP A 65 0.258 6.748 -0.116 1.00 0.00 C ATOM 1026 C ASP A 65 0.758 5.522 0.647 1.00 0.00 C ATOM 1027 O ASP A 65 -0.021 4.797 1.265 1.00 0.00 O ATOM 1028 CB ASP A 65 0.137 6.437 -1.613 1.00 0.00 C ATOM 1029 CG ASP A 65 -1.049 5.557 -1.958 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -2.198 6.005 -1.761 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -0.833 4.448 -2.486 1.00 0.00 O ATOM 0 H ASP A 65 1.601 8.210 -0.793 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.724 7.011 0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.056 7.374 -2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.051 5.948 -1.949 1.00 0.00 H new ATOM 1036 N LEU A 66 2.071 5.323 0.626 1.00 0.00 N ATOM 1037 CA LEU A 66 2.709 4.222 1.337 1.00 0.00 C ATOM 1038 C LEU A 66 2.503 4.357 2.842 1.00 0.00 C ATOM 1039 O LEU A 66 2.290 3.368 3.537 1.00 0.00 O ATOM 1040 CB LEU A 66 4.210 4.197 1.023 1.00 0.00 C ATOM 1041 CG LEU A 66 4.999 3.063 1.679 1.00 0.00 C ATOM 1042 CD1 LEU A 66 4.541 1.718 1.143 1.00 0.00 C ATOM 1043 CD2 LEU A 66 6.489 3.249 1.449 1.00 0.00 C ATOM 0 H LEU A 66 2.722 5.920 0.116 1.00 0.00 H new ATOM 0 HA LEU A 66 2.252 3.290 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.337 4.127 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.645 5.147 1.334 1.00 0.00 H new ATOM 0 HG LEU A 66 4.811 3.088 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.113 0.922 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.481 1.582 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.700 1.683 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.035 2.433 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.695 3.250 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.808 4.198 1.881 1.00 0.00 H new ATOM 1055 N ALA A 67 2.551 5.588 3.332 1.00 0.00 N ATOM 1056 CA ALA A 67 2.408 5.852 4.760 1.00 0.00 C ATOM 1057 C ALA A 67 0.972 5.629 5.231 1.00 0.00 C ATOM 1058 O ALA A 67 0.704 5.609 6.432 1.00 0.00 O ATOM 1059 CB ALA A 67 2.858 7.267 5.084 1.00 0.00 C ATOM 0 H ALA A 67 2.688 6.422 2.762 1.00 0.00 H new ATOM 0 HA ALA A 67 3.045 5.147 5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.745 7.449 6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.904 7.389 4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.248 7.979 4.529 1.00 0.00 H new ATOM 1065 N LEU A 68 0.055 5.463 4.283 1.00 0.00 N ATOM 1066 CA LEU A 68 -1.351 5.239 4.599 1.00 0.00 C ATOM 1067 C LEU A 68 -1.635 3.755 4.813 1.00 0.00 C ATOM 1068 O LEU A 68 -2.596 3.389 5.493 1.00 0.00 O ATOM 1069 CB LEU A 68 -2.239 5.777 3.473 1.00 0.00 C ATOM 1070 CG LEU A 68 -2.087 7.271 3.178 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -2.871 7.649 1.932 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -2.545 8.098 4.370 1.00 0.00 C ATOM 0 H LEU A 68 0.262 5.480 3.284 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.577 5.771 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.020 5.219 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.280 5.578 3.727 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.033 7.483 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.752 8.715 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.498 7.080 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.927 7.424 2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.430 9.158 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.593 7.883 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.941 7.846 5.241 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.794 2.905 4.243 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.977 1.465 4.351 1.00 0.00 C ATOM 1086 C LEU A 69 0.152 0.842 5.153 1.00 0.00 C ATOM 1087 O LEU A 69 1.319 1.175 4.958 1.00 0.00 O ATOM 1088 CB LEU A 69 -1.024 0.822 2.963 1.00 0.00 C ATOM 1089 CG LEU A 69 -2.213 1.221 2.092 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -2.079 0.604 0.710 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -3.518 0.786 2.743 1.00 0.00 C ATOM 0 H LEU A 69 0.022 3.187 3.701 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.923 1.286 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.106 1.077 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.032 -0.261 3.084 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.224 2.306 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.932 0.895 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.159 0.956 0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.049 -0.482 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.356 1.078 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.518 -0.297 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.616 1.265 3.717 1.00 0.00 H new ATOM 1103 N THR A 70 -0.184 -0.051 6.063 1.00 0.00 N ATOM 1104 CA THR A 70 0.836 -0.782 6.782 1.00 0.00 C ATOM 1105 C THR A 70 1.165 -2.061 6.031 1.00 0.00 C ATOM 1106 O THR A 70 0.314 -2.943 5.864 1.00 0.00 O ATOM 1107 CB THR A 70 0.402 -1.111 8.215 1.00 0.00 C ATOM 1108 OG1 THR A 70 -0.136 0.063 8.839 1.00 0.00 O ATOM 1109 CG2 THR A 70 1.577 -1.628 9.035 1.00 0.00 C ATOM 0 H THR A 70 -1.143 -0.285 6.319 1.00 0.00 H new ATOM 0 HA THR A 70 1.722 -0.150 6.847 1.00 0.00 H new ATOM 0 HB THR A 70 -0.360 -1.889 8.172 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.414 -0.151 9.754 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.243 -1.854 10.048 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.973 -2.532 8.573 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.357 -0.868 9.072 1.00 0.00 H new ATOM 1117 N LEU A 71 2.393 -2.145 5.565 1.00 0.00 N ATOM 1118 CA LEU A 71 2.822 -3.262 4.744 1.00 0.00 C ATOM 1119 C LEU A 71 3.813 -4.138 5.493 1.00 0.00 C ATOM 1120 O LEU A 71 4.748 -3.644 6.120 1.00 0.00 O ATOM 1121 CB LEU A 71 3.471 -2.768 3.447 1.00 0.00 C ATOM 1122 CG LEU A 71 2.573 -1.933 2.532 1.00 0.00 C ATOM 1123 CD1 LEU A 71 3.316 -1.560 1.259 1.00 0.00 C ATOM 1124 CD2 LEU A 71 1.294 -2.685 2.199 1.00 0.00 C ATOM 0 H LEU A 71 3.118 -1.449 5.741 1.00 0.00 H new ATOM 0 HA LEU A 71 1.935 -3.848 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.348 -2.175 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.825 -3.634 2.887 1.00 0.00 H new ATOM 0 HG LEU A 71 2.303 -1.018 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.664 -0.966 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.203 -0.979 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.614 -2.467 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.671 -2.072 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.542 -3.618 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.751 -2.905 3.118 1.00 0.00 H new ATOM 1136 N VAL A 72 3.586 -5.436 5.429 1.00 0.00 N ATOM 1137 CA VAL A 72 4.525 -6.408 5.952 1.00 0.00 C ATOM 1138 C VAL A 72 5.087 -7.237 4.803 1.00 0.00 C ATOM 1139 O VAL A 72 4.353 -7.955 4.118 1.00 0.00 O ATOM 1140 CB VAL A 72 3.884 -7.328 7.021 1.00 0.00 C ATOM 1141 CG1 VAL A 72 3.662 -6.567 8.319 1.00 0.00 C ATOM 1142 CG2 VAL A 72 2.571 -7.920 6.529 1.00 0.00 C ATOM 0 H VAL A 72 2.748 -5.845 5.014 1.00 0.00 H new ATOM 0 HA VAL A 72 5.331 -5.865 6.446 1.00 0.00 H new ATOM 0 HB VAL A 72 4.576 -8.149 7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.211 -7.230 9.057 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.618 -6.202 8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.998 -5.722 8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.148 -8.560 7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.872 -7.115 6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.752 -8.509 5.630 1.00 0.00 H new ATOM 1152 N PRO A 73 6.392 -7.119 4.546 1.00 0.00 N ATOM 1153 CA PRO A 73 7.030 -7.830 3.443 1.00 0.00 C ATOM 1154 C PRO A 73 7.070 -9.333 3.678 1.00 0.00 C ATOM 1155 O PRO A 73 6.894 -9.806 4.804 1.00 0.00 O ATOM 1156 CB PRO A 73 8.448 -7.254 3.414 1.00 0.00 C ATOM 1157 CG PRO A 73 8.684 -6.739 4.794 1.00 0.00 C ATOM 1158 CD PRO A 73 7.344 -6.290 5.307 1.00 0.00 C ATOM 0 HA PRO A 73 6.488 -7.700 2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.179 -8.018 3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.535 -6.457 2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.106 -7.515 5.433 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.395 -5.913 4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.250 -6.453 6.381 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.182 -5.227 5.130 1.00 0.00 H new ATOM 1166 N LEU A 74 7.302 -10.078 2.607 1.00 0.00 N ATOM 1167 CA LEU A 74 7.456 -11.523 2.694 1.00 0.00 C ATOM 1168 C LEU A 74 8.830 -11.906 3.248 1.00 0.00 C ATOM 1169 O LEU A 74 9.160 -13.086 3.362 1.00 0.00 O ATOM 1170 CB LEU A 74 7.252 -12.154 1.317 1.00 0.00 C ATOM 1171 CG LEU A 74 5.835 -12.047 0.751 1.00 0.00 C ATOM 1172 CD1 LEU A 74 5.759 -12.708 -0.614 1.00 0.00 C ATOM 1173 CD2 LEU A 74 4.830 -12.678 1.701 1.00 0.00 C ATOM 0 H LEU A 74 7.388 -9.703 1.662 1.00 0.00 H new ATOM 0 HA LEU A 74 6.700 -11.901 3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.942 -11.685 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.523 -13.208 1.375 1.00 0.00 H new ATOM 0 HG LEU A 74 5.588 -10.991 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.744 -12.623 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.452 -12.215 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.026 -13.761 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.828 -12.592 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.075 -13.731 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.866 -12.165 2.662 1.00 0.00 H new ATOM 1185 N ASP A 75 9.625 -10.902 3.586 1.00 0.00 N ATOM 1186 CA ASP A 75 10.943 -11.123 4.163 1.00 0.00 C ATOM 1187 C ASP A 75 10.933 -10.737 5.633 1.00 0.00 C ATOM 1188 O ASP A 75 10.702 -9.548 5.933 1.00 0.00 O ATOM 1189 CB ASP A 75 12.012 -10.323 3.416 1.00 0.00 C ATOM 1190 CG ASP A 75 13.393 -10.516 4.011 1.00 0.00 C ATOM 1191 OD1 ASP A 75 13.974 -11.606 3.831 1.00 0.00 O ATOM 1192 OD2 ASP A 75 13.906 -9.578 4.658 1.00 0.00 O ATOM 1193 OXT ASP A 75 11.138 -11.625 6.486 1.00 0.00 O ATOM 0 H ASP A 75 9.378 -9.919 3.470 1.00 0.00 H new ATOM 0 HA ASP A 75 11.186 -12.181 4.069 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.024 -10.626 2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.753 -9.264 3.439 1.00 0.00 H new TER 1198 ASP A 75