USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 MET CE :methyl -123:sc= -0.266 (180deg=-4.57!) USER MOD Set 1.2: A 85 GLN : amide:sc= -1.78! X(o=-2!,f=-2.4) USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 166:sc= -0.0457 (180deg=-0.466) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.952 F(o=-1.6,f=-0.95) USER MOD Single : A 7 GLN : amide:sc= -0.495 X(o=-0.5,f=-0.15) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -137:sc= -0.61 (180deg=-1.3) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -156:sc= -0.463 (180deg=-2.34!) USER MOD Single : A 38 SER OG : rot -101:sc= 0.129 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -147:sc= -0.244 (180deg=-0.652) USER MOD Single : A 44 THR OG1 : rot 142:sc= 1.3 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -2.02 K(o=-2,f=-8.1!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -150:sc= -1.55! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0999 USER MOD Single : A 81 MET CE :methyl 155:sc= -4.33! (180deg=-5.19!) USER MOD Single : A 82 MET CE :methyl 143:sc= -15.3! (180deg=-18.5!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= 1.44 (180deg=0.565) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 65.654 -4.075 -16.013 1.00 0.00 N ATOM 2 CA ALA A 1 66.116 -5.292 -15.284 1.00 0.00 C ATOM 3 C ALA A 1 64.945 -5.938 -14.538 1.00 0.00 C ATOM 4 O ALA A 1 63.810 -5.522 -14.666 1.00 0.00 O ATOM 5 CB ALA A 1 67.168 -4.786 -14.296 1.00 0.00 C ATOM 0 H1 ALA A 1 65.766 -4.220 -17.037 1.00 0.00 H new ATOM 0 H2 ALA A 1 64.652 -3.900 -15.796 1.00 0.00 H new ATOM 0 H3 ALA A 1 66.221 -3.256 -15.715 1.00 0.00 H new ATOM 0 HA ALA A 1 66.519 -6.049 -15.957 1.00 0.00 H new ATOM 0 HB1 ALA A 1 67.558 -5.624 -13.719 1.00 0.00 H new ATOM 0 HB2 ALA A 1 67.983 -4.312 -14.843 1.00 0.00 H new ATOM 0 HB3 ALA A 1 66.714 -4.061 -13.621 1.00 0.00 H new ATOM 13 N SER A 2 65.210 -6.952 -13.761 1.00 0.00 N ATOM 14 CA SER A 2 64.110 -7.623 -13.009 1.00 0.00 C ATOM 15 C SER A 2 63.863 -6.904 -11.681 1.00 0.00 C ATOM 16 O SER A 2 62.879 -7.145 -11.008 1.00 0.00 O ATOM 17 CB SER A 2 64.608 -9.046 -12.764 1.00 0.00 C ATOM 18 OG SER A 2 63.506 -9.943 -12.810 1.00 0.00 O ATOM 0 H SER A 2 66.140 -7.345 -13.614 1.00 0.00 H new ATOM 0 HA SER A 2 63.168 -7.610 -13.557 1.00 0.00 H new ATOM 0 HB2 SER A 2 65.347 -9.320 -13.517 1.00 0.00 H new ATOM 0 HB3 SER A 2 65.103 -9.109 -11.795 1.00 0.00 H new ATOM 0 HG SER A 2 63.822 -10.858 -12.655 1.00 0.00 H new ATOM 24 N MET A 3 64.747 -6.025 -11.296 1.00 0.00 N ATOM 25 CA MET A 3 64.560 -5.293 -10.010 1.00 0.00 C ATOM 26 C MET A 3 63.245 -4.511 -10.031 1.00 0.00 C ATOM 27 O MET A 3 62.527 -4.460 -9.052 1.00 0.00 O ATOM 28 CB MET A 3 65.750 -4.337 -9.924 1.00 0.00 C ATOM 29 CG MET A 3 66.861 -4.979 -9.091 1.00 0.00 C ATOM 30 SD MET A 3 68.114 -3.735 -8.695 1.00 0.00 S ATOM 31 CE MET A 3 69.100 -3.917 -10.200 1.00 0.00 C ATOM 0 H MET A 3 65.590 -5.782 -11.815 1.00 0.00 H new ATOM 0 HA MET A 3 64.514 -5.967 -9.154 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.118 -4.106 -10.924 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.441 -3.394 -9.473 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.447 -5.398 -8.174 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.313 -5.803 -9.642 1.00 0.00 H new ATOM 0 HE1 MET A 3 69.787 -3.076 -10.289 1.00 0.00 H new ATOM 0 HE2 MET A 3 69.668 -4.846 -10.153 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.440 -3.939 -11.067 1.00 0.00 H new ATOM 41 N THR A 4 62.922 -3.902 -11.139 1.00 0.00 N ATOM 42 CA THR A 4 61.653 -3.124 -11.219 1.00 0.00 C ATOM 43 C THR A 4 60.495 -3.938 -10.636 1.00 0.00 C ATOM 44 O THR A 4 59.505 -3.394 -10.187 1.00 0.00 O ATOM 45 CB THR A 4 61.435 -2.875 -12.713 1.00 0.00 C ATOM 46 OG1 THR A 4 60.416 -1.899 -12.884 1.00 0.00 O ATOM 47 CG2 THR A 4 61.016 -4.179 -13.394 1.00 0.00 C ATOM 0 H THR A 4 63.481 -3.909 -11.992 1.00 0.00 H new ATOM 0 HA THR A 4 61.703 -2.194 -10.653 1.00 0.00 H new ATOM 0 HB THR A 4 62.361 -2.516 -13.162 1.00 0.00 H new ATOM 0 HG1 THR A 4 60.276 -1.737 -13.840 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.861 -4.000 -14.458 1.00 0.00 H new ATOM 0 HG22 THR A 4 61.798 -4.926 -13.262 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.090 -4.541 -12.948 1.00 0.00 H new ATOM 55 N ASP A 5 60.609 -5.238 -10.638 1.00 0.00 N ATOM 56 CA ASP A 5 59.512 -6.085 -10.084 1.00 0.00 C ATOM 57 C ASP A 5 59.673 -6.235 -8.568 1.00 0.00 C ATOM 58 O ASP A 5 58.706 -6.315 -7.837 1.00 0.00 O ATOM 59 CB ASP A 5 59.668 -7.437 -10.779 1.00 0.00 C ATOM 60 CG ASP A 5 58.563 -7.605 -11.824 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.895 -6.625 -12.113 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.403 -8.710 -12.316 1.00 0.00 O ATOM 0 H ASP A 5 61.413 -5.751 -10.999 1.00 0.00 H new ATOM 0 HA ASP A 5 58.527 -5.651 -10.255 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.646 -7.502 -11.255 1.00 0.00 H new ATOM 0 HB3 ASP A 5 59.616 -8.242 -10.046 1.00 0.00 H new ATOM 67 N GLN A 6 60.888 -6.273 -8.093 1.00 0.00 N ATOM 68 CA GLN A 6 61.111 -6.417 -6.625 1.00 0.00 C ATOM 69 C GLN A 6 60.876 -5.079 -5.921 1.00 0.00 C ATOM 70 O GLN A 6 60.853 -5.001 -4.709 1.00 0.00 O ATOM 71 CB GLN A 6 62.573 -6.843 -6.488 1.00 0.00 C ATOM 72 CG GLN A 6 62.875 -7.178 -5.026 1.00 0.00 C ATOM 73 CD GLN A 6 62.148 -8.465 -4.633 1.00 0.00 C ATOM 74 OE1 GLN A 6 60.913 -8.402 -4.217 1.00 0.00 O flip ATOM 75 NE2 GLN A 6 62.710 -9.540 -4.704 1.00 0.00 N flip ATOM 0 H GLN A 6 61.736 -6.211 -8.657 1.00 0.00 H new ATOM 0 HA GLN A 6 60.431 -7.138 -6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.770 -7.710 -7.119 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.229 -6.043 -6.831 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.949 -7.298 -4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 6 62.558 -6.358 -4.382 1.00 0.00 H new ATOM 0 HE21 GLN A 6 63.675 -9.590 -5.029 1.00 0.00 H new ATOM 0 HE22 GLN A 6 62.216 -10.392 -4.439 1.00 0.00 H new ATOM 84 N GLN A 7 60.700 -4.026 -6.671 1.00 0.00 N ATOM 85 CA GLN A 7 60.466 -2.695 -6.042 1.00 0.00 C ATOM 86 C GLN A 7 59.026 -2.599 -5.530 1.00 0.00 C ATOM 87 O GLN A 7 58.784 -2.507 -4.343 1.00 0.00 O ATOM 88 CB GLN A 7 60.708 -1.678 -7.158 1.00 0.00 C ATOM 89 CG GLN A 7 60.657 -0.261 -6.580 1.00 0.00 C ATOM 90 CD GLN A 7 59.512 0.515 -7.234 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.440 0.609 -8.444 1.00 0.00 O ATOM 92 NE2 GLN A 7 58.610 1.082 -6.481 1.00 0.00 N ATOM 0 H GLN A 7 60.708 -4.029 -7.691 1.00 0.00 H new ATOM 0 HA GLN A 7 61.120 -2.522 -5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.677 -1.857 -7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.954 -1.791 -7.937 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.513 -0.302 -5.500 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.604 0.249 -6.756 1.00 0.00 H new ATOM 0 HE21 GLN A 7 58.670 1.003 -5.466 1.00 0.00 H new ATOM 0 HE22 GLN A 7 57.845 1.604 -6.907 1.00 0.00 H new ATOM 101 N ALA A 8 58.070 -2.619 -6.417 1.00 0.00 N ATOM 102 CA ALA A 8 56.646 -2.525 -5.980 1.00 0.00 C ATOM 103 C ALA A 8 56.373 -3.500 -4.831 1.00 0.00 C ATOM 104 O ALA A 8 55.742 -3.156 -3.852 1.00 0.00 O ATOM 105 CB ALA A 8 55.828 -2.907 -7.214 1.00 0.00 C ATOM 0 H ALA A 8 58.211 -2.696 -7.424 1.00 0.00 H new ATOM 0 HA ALA A 8 56.394 -1.530 -5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.766 -2.862 -6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.047 -2.212 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.088 -3.919 -7.524 1.00 0.00 H new ATOM 111 N GLU A 9 56.838 -4.714 -4.942 1.00 0.00 N ATOM 112 CA GLU A 9 56.596 -5.705 -3.853 1.00 0.00 C ATOM 113 C GLU A 9 57.521 -5.428 -2.664 1.00 0.00 C ATOM 114 O GLU A 9 57.344 -5.966 -1.589 1.00 0.00 O ATOM 115 CB GLU A 9 56.915 -7.065 -4.475 1.00 0.00 C ATOM 116 CG GLU A 9 55.769 -8.037 -4.190 1.00 0.00 C ATOM 117 CD GLU A 9 56.241 -9.471 -4.443 1.00 0.00 C ATOM 118 OE1 GLU A 9 57.285 -9.829 -3.924 1.00 0.00 O ATOM 119 OE2 GLU A 9 55.549 -10.185 -5.150 1.00 0.00 O ATOM 0 H GLU A 9 57.374 -5.063 -5.737 1.00 0.00 H new ATOM 0 HA GLU A 9 55.575 -5.658 -3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.058 -6.960 -5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.847 -7.455 -4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.435 -7.930 -3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 9 54.915 -7.806 -4.827 1.00 0.00 H new ATOM 126 N ALA A 10 58.507 -4.594 -2.849 1.00 0.00 N ATOM 127 CA ALA A 10 59.441 -4.285 -1.728 1.00 0.00 C ATOM 128 C ALA A 10 58.798 -3.283 -0.764 1.00 0.00 C ATOM 129 O ALA A 10 59.170 -3.189 0.389 1.00 0.00 O ATOM 130 CB ALA A 10 60.672 -3.674 -2.396 1.00 0.00 C ATOM 0 H ALA A 10 58.707 -4.113 -3.726 1.00 0.00 H new ATOM 0 HA ALA A 10 59.692 -5.170 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.409 -3.418 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.103 -4.394 -3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.383 -2.774 -2.938 1.00 0.00 H new ATOM 136 N ARG A 11 57.835 -2.532 -1.227 1.00 0.00 N ATOM 137 CA ARG A 11 57.171 -1.536 -0.336 1.00 0.00 C ATOM 138 C ARG A 11 56.010 -2.194 0.414 1.00 0.00 C ATOM 139 O ARG A 11 55.903 -2.105 1.621 1.00 0.00 O ATOM 140 CB ARG A 11 56.639 -0.441 -1.267 1.00 0.00 C ATOM 141 CG ARG A 11 57.672 -0.117 -2.352 1.00 0.00 C ATOM 142 CD ARG A 11 57.055 -0.367 -3.730 1.00 0.00 C ATOM 143 NE ARG A 11 56.454 0.938 -4.123 1.00 0.00 N ATOM 144 CZ ARG A 11 55.176 1.144 -3.956 1.00 0.00 C ATOM 145 NH1 ARG A 11 54.310 0.296 -4.439 1.00 0.00 N ATOM 146 NH2 ARG A 11 54.767 2.199 -3.307 1.00 0.00 N ATOM 0 H ARG A 11 57.479 -2.565 -2.182 1.00 0.00 H new ATOM 0 HA ARG A 11 57.860 -1.137 0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 11 55.707 -0.768 -1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.412 0.457 -0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 11 57.992 0.922 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.560 -0.735 -2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 11 57.810 -0.687 -4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.301 -1.153 -3.689 1.00 0.00 H new ATOM 0 HE ARG A 11 57.041 1.670 -4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 11 54.632 -0.528 -4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 11 53.311 0.457 -4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 11 55.446 2.861 -2.931 1.00 0.00 H new ATOM 0 HH22 ARG A 11 53.769 2.362 -3.176 1.00 0.00 H new ATOM 160 N ALA A 12 55.135 -2.850 -0.297 1.00 0.00 N ATOM 161 CA ALA A 12 53.972 -3.512 0.361 1.00 0.00 C ATOM 162 C ALA A 12 54.446 -4.492 1.441 1.00 0.00 C ATOM 163 O ALA A 12 53.678 -4.923 2.277 1.00 0.00 O ATOM 164 CB ALA A 12 53.259 -4.259 -0.766 1.00 0.00 C ATOM 0 H ALA A 12 55.175 -2.957 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 12 53.319 -2.795 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.387 -4.776 -0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.941 -3.549 -1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.940 -4.986 -1.209 1.00 0.00 H new ATOM 170 N PHE A 13 55.702 -4.845 1.433 1.00 0.00 N ATOM 171 CA PHE A 13 56.214 -5.794 2.462 1.00 0.00 C ATOM 172 C PHE A 13 55.725 -5.374 3.852 1.00 0.00 C ATOM 173 O PHE A 13 55.424 -6.199 4.691 1.00 0.00 O ATOM 174 CB PHE A 13 57.737 -5.691 2.369 1.00 0.00 C ATOM 175 CG PHE A 13 58.367 -6.281 3.610 1.00 0.00 C ATOM 176 CD1 PHE A 13 58.279 -7.657 3.854 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.041 -5.451 4.515 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.864 -8.203 5.002 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.625 -5.998 5.664 1.00 0.00 C ATOM 180 CZ PHE A 13 59.537 -7.374 5.907 1.00 0.00 C ATOM 0 H PHE A 13 56.395 -4.518 0.760 1.00 0.00 H new ATOM 0 HA PHE A 13 55.866 -6.814 2.299 1.00 0.00 H new ATOM 0 HB2 PHE A 13 58.093 -6.218 1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.034 -4.648 2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.760 -8.297 3.156 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.110 -4.390 4.327 1.00 0.00 H new ATOM 0 HE1 PHE A 13 58.796 -9.264 5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.143 -5.358 6.363 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.988 -7.796 6.793 1.00 0.00 H new ATOM 190 N LEU A 14 55.643 -4.095 4.097 1.00 0.00 N ATOM 191 CA LEU A 14 55.171 -3.618 5.430 1.00 0.00 C ATOM 192 C LEU A 14 54.076 -2.562 5.256 1.00 0.00 C ATOM 193 O LEU A 14 53.857 -2.054 4.174 1.00 0.00 O ATOM 194 CB LEU A 14 56.406 -3.008 6.106 1.00 0.00 C ATOM 195 CG LEU A 14 57.241 -2.237 5.079 1.00 0.00 C ATOM 196 CD1 LEU A 14 56.410 -1.095 4.494 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.484 -1.663 5.762 1.00 0.00 C ATOM 0 H LEU A 14 55.882 -3.359 3.433 1.00 0.00 H new ATOM 0 HA LEU A 14 54.744 -4.425 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.097 -2.340 6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.009 -3.795 6.559 1.00 0.00 H new ATOM 0 HG LEU A 14 57.542 -2.912 4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 14 57.006 -0.548 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 14 55.524 -1.502 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 14 56.106 -0.419 5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 14 59.079 -1.114 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.180 -0.989 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 14 59.079 -2.476 6.178 1.00 0.00 H new ATOM 209 N SER A 15 53.385 -2.229 6.311 1.00 0.00 N ATOM 210 CA SER A 15 52.303 -1.207 6.203 1.00 0.00 C ATOM 211 C SER A 15 52.905 0.171 5.914 1.00 0.00 C ATOM 212 O SER A 15 54.072 0.411 6.149 1.00 0.00 O ATOM 213 CB SER A 15 51.612 -1.215 7.566 1.00 0.00 C ATOM 214 OG SER A 15 50.466 -2.055 7.507 1.00 0.00 O ATOM 0 H SER A 15 53.522 -2.619 7.243 1.00 0.00 H new ATOM 0 HA SER A 15 51.607 -1.426 5.393 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.299 -1.572 8.333 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.321 -0.202 7.845 1.00 0.00 H new ATOM 0 HG SER A 15 50.021 -2.064 8.380 1.00 0.00 H new ATOM 220 N GLU A 16 52.115 1.078 5.406 1.00 0.00 N ATOM 221 CA GLU A 16 52.644 2.440 5.102 1.00 0.00 C ATOM 222 C GLU A 16 53.297 3.044 6.348 1.00 0.00 C ATOM 223 O GLU A 16 54.149 3.906 6.258 1.00 0.00 O ATOM 224 CB GLU A 16 51.418 3.257 4.690 1.00 0.00 C ATOM 225 CG GLU A 16 51.815 4.725 4.526 1.00 0.00 C ATOM 226 CD GLU A 16 51.477 5.190 3.107 1.00 0.00 C ATOM 227 OE1 GLU A 16 52.220 4.851 2.201 1.00 0.00 O ATOM 228 OE2 GLU A 16 50.481 5.877 2.952 1.00 0.00 O ATOM 0 H GLU A 16 51.129 0.936 5.189 1.00 0.00 H new ATOM 0 HA GLU A 16 53.405 2.423 4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.009 2.873 3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.635 3.163 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.288 5.339 5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.881 4.848 4.716 1.00 0.00 H new ATOM 235 N GLU A 17 52.905 2.598 7.510 1.00 0.00 N ATOM 236 CA GLU A 17 53.504 3.148 8.760 1.00 0.00 C ATOM 237 C GLU A 17 55.032 3.111 8.672 1.00 0.00 C ATOM 238 O GLU A 17 55.701 4.099 8.897 1.00 0.00 O ATOM 239 CB GLU A 17 53.009 2.228 9.877 1.00 0.00 C ATOM 240 CG GLU A 17 51.497 2.396 10.044 1.00 0.00 C ATOM 241 CD GLU A 17 51.094 2.007 11.468 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.710 1.104 12.009 1.00 0.00 O ATOM 243 OE2 GLU A 17 50.177 2.617 11.992 1.00 0.00 O ATOM 0 H GLU A 17 52.197 1.877 7.648 1.00 0.00 H new ATOM 0 HA GLU A 17 53.219 4.186 8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 17 53.246 1.191 9.640 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.518 2.466 10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 17 51.211 3.428 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 17 50.969 1.773 9.322 1.00 0.00 H new ATOM 250 N MET A 18 55.588 1.976 8.344 1.00 0.00 N ATOM 251 CA MET A 18 57.071 1.875 8.241 1.00 0.00 C ATOM 252 C MET A 18 57.589 2.809 7.143 1.00 0.00 C ATOM 253 O MET A 18 58.524 3.559 7.343 1.00 0.00 O ATOM 254 CB MET A 18 57.343 0.416 7.876 1.00 0.00 C ATOM 255 CG MET A 18 58.792 0.066 8.219 1.00 0.00 C ATOM 256 SD MET A 18 58.824 -1.415 9.260 1.00 0.00 S ATOM 257 CE MET A 18 59.557 -0.645 10.723 1.00 0.00 C ATOM 0 H MET A 18 55.079 1.115 8.143 1.00 0.00 H new ATOM 0 HA MET A 18 57.571 2.164 9.166 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.661 -0.239 8.419 1.00 0.00 H new ATOM 0 HB3 MET A 18 57.161 0.256 6.813 1.00 0.00 H new ATOM 0 HG2 MET A 18 59.362 -0.106 7.306 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.266 0.899 8.738 1.00 0.00 H new ATOM 0 HE1 MET A 18 60.320 -1.304 11.137 1.00 0.00 H new ATOM 0 HE2 MET A 18 60.011 0.306 10.445 1.00 0.00 H new ATOM 0 HE3 MET A 18 58.782 -0.472 11.470 1.00 0.00 H new ATOM 267 N ILE A 19 56.989 2.769 5.985 1.00 0.00 N ATOM 268 CA ILE A 19 57.448 3.654 4.877 1.00 0.00 C ATOM 269 C ILE A 19 57.640 5.084 5.389 1.00 0.00 C ATOM 270 O ILE A 19 58.505 5.806 4.935 1.00 0.00 O ATOM 271 CB ILE A 19 56.327 3.603 3.838 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.341 2.240 3.141 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.541 4.707 2.801 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.048 2.062 2.343 1.00 0.00 C ATOM 0 H ILE A 19 56.201 2.162 5.758 1.00 0.00 H new ATOM 0 HA ILE A 19 58.403 3.334 4.461 1.00 0.00 H new ATOM 0 HB ILE A 19 55.367 3.750 4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.203 2.168 2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.438 1.443 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.742 4.670 2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.533 5.678 3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.501 4.560 2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 19 55.058 1.092 1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.194 2.116 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.970 2.851 1.595 1.00 0.00 H new ATOM 286 N ALA A 20 56.840 5.496 6.333 1.00 0.00 N ATOM 287 CA ALA A 20 56.976 6.879 6.876 1.00 0.00 C ATOM 288 C ALA A 20 58.113 6.933 7.900 1.00 0.00 C ATOM 289 O ALA A 20 58.629 7.987 8.215 1.00 0.00 O ATOM 290 CB ALA A 20 55.635 7.176 7.545 1.00 0.00 C ATOM 0 H ALA A 20 56.098 4.936 6.753 1.00 0.00 H new ATOM 0 HA ALA A 20 57.212 7.607 6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.655 8.179 7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.837 7.112 6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.455 6.449 8.337 1.00 0.00 H new ATOM 296 N GLU A 21 58.507 5.803 8.421 1.00 0.00 N ATOM 297 CA GLU A 21 59.610 5.788 9.424 1.00 0.00 C ATOM 298 C GLU A 21 60.961 5.957 8.723 1.00 0.00 C ATOM 299 O GLU A 21 61.767 6.785 9.100 1.00 0.00 O ATOM 300 CB GLU A 21 59.519 4.415 10.090 1.00 0.00 C ATOM 301 CG GLU A 21 60.791 4.156 10.900 1.00 0.00 C ATOM 302 CD GLU A 21 60.451 3.303 12.124 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.874 2.244 11.942 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.773 3.726 13.222 1.00 0.00 O ATOM 0 H GLU A 21 58.113 4.890 8.196 1.00 0.00 H new ATOM 0 HA GLU A 21 59.524 6.598 10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.646 4.372 10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.392 3.640 9.334 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.531 3.647 10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.234 5.101 11.214 1.00 0.00 H new ATOM 311 N PHE A 22 61.213 5.181 7.705 1.00 0.00 N ATOM 312 CA PHE A 22 62.511 5.298 6.981 1.00 0.00 C ATOM 313 C PHE A 22 62.544 6.590 6.160 1.00 0.00 C ATOM 314 O PHE A 22 63.593 7.138 5.888 1.00 0.00 O ATOM 315 CB PHE A 22 62.563 4.079 6.060 1.00 0.00 C ATOM 316 CG PHE A 22 62.304 2.823 6.858 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.571 2.795 8.234 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.798 1.683 6.222 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.332 1.629 8.971 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.560 0.517 6.959 1.00 0.00 C ATOM 321 CZ PHE A 22 61.827 0.490 8.333 1.00 0.00 C ATOM 0 H PHE A 22 60.577 4.471 7.343 1.00 0.00 H new ATOM 0 HA PHE A 22 63.361 5.331 7.662 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.820 4.178 5.269 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.538 4.019 5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.961 3.674 8.726 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.591 1.703 5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.537 1.608 10.031 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.170 -0.362 6.467 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.643 -0.410 8.901 1.00 0.00 H new ATOM 331 N LYS A 23 61.401 7.077 5.760 1.00 0.00 N ATOM 332 CA LYS A 23 61.364 8.332 4.954 1.00 0.00 C ATOM 333 C LYS A 23 62.190 9.426 5.638 1.00 0.00 C ATOM 334 O LYS A 23 63.070 10.016 5.043 1.00 0.00 O ATOM 335 CB LYS A 23 59.888 8.725 4.904 1.00 0.00 C ATOM 336 CG LYS A 23 59.702 9.890 3.929 1.00 0.00 C ATOM 337 CD LYS A 23 60.045 9.428 2.512 1.00 0.00 C ATOM 338 CE LYS A 23 59.174 10.183 1.504 1.00 0.00 C ATOM 339 NZ LYS A 23 59.757 9.858 0.172 1.00 0.00 N ATOM 0 H LYS A 23 60.491 6.661 5.956 1.00 0.00 H new ATOM 0 HA LYS A 23 61.784 8.196 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.285 7.874 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.543 9.010 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 23 58.674 10.249 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.342 10.724 4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.100 9.609 2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.881 8.354 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.133 9.867 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 23 59.193 11.257 1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 59.213 10.340 -0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 60.746 10.177 0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 59.719 8.830 0.018 1.00 0.00 H new ATOM 353 N ALA A 24 61.911 9.701 6.882 1.00 0.00 N ATOM 354 CA ALA A 24 62.678 10.757 7.603 1.00 0.00 C ATOM 355 C ALA A 24 64.146 10.346 7.742 1.00 0.00 C ATOM 356 O ALA A 24 65.045 11.093 7.412 1.00 0.00 O ATOM 357 CB ALA A 24 62.016 10.857 8.977 1.00 0.00 C ATOM 0 H ALA A 24 61.185 9.241 7.431 1.00 0.00 H new ATOM 0 HA ALA A 24 62.666 11.710 7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.524 11.616 9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.968 11.132 8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.083 9.894 9.484 1.00 0.00 H new ATOM 363 N ALA A 25 64.395 9.161 8.230 1.00 0.00 N ATOM 364 CA ALA A 25 65.804 8.701 8.391 1.00 0.00 C ATOM 365 C ALA A 25 66.479 8.576 7.023 1.00 0.00 C ATOM 366 O ALA A 25 67.688 8.613 6.909 1.00 0.00 O ATOM 367 CB ALA A 25 65.696 7.330 9.060 1.00 0.00 C ATOM 0 H ALA A 25 63.684 8.492 8.524 1.00 0.00 H new ATOM 0 HA ALA A 25 66.402 9.398 8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.694 6.921 9.214 1.00 0.00 H new ATOM 0 HB2 ALA A 25 65.193 7.433 10.022 1.00 0.00 H new ATOM 0 HB3 ALA A 25 65.123 6.658 8.421 1.00 0.00 H new ATOM 373 N PHE A 26 65.705 8.425 5.985 1.00 0.00 N ATOM 374 CA PHE A 26 66.295 8.294 4.623 1.00 0.00 C ATOM 375 C PHE A 26 66.925 9.619 4.181 1.00 0.00 C ATOM 376 O PHE A 26 68.045 9.659 3.713 1.00 0.00 O ATOM 377 CB PHE A 26 65.116 7.932 3.720 1.00 0.00 C ATOM 378 CG PHE A 26 65.547 7.994 2.276 1.00 0.00 C ATOM 379 CD1 PHE A 26 65.608 9.228 1.616 1.00 0.00 C ATOM 380 CD2 PHE A 26 65.885 6.819 1.594 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.008 9.285 0.275 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.284 6.876 0.254 1.00 0.00 C ATOM 383 CZ PHE A 26 66.345 8.110 -0.405 1.00 0.00 C ATOM 0 H PHE A 26 64.686 8.387 6.021 1.00 0.00 H new ATOM 0 HA PHE A 26 67.086 7.545 4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 26 64.755 6.932 3.960 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.288 8.620 3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.347 10.135 2.141 1.00 0.00 H new ATOM 0 HD2 PHE A 26 65.838 5.867 2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.056 10.236 -0.234 1.00 0.00 H new ATOM 0 HE2 PHE A 26 66.545 5.969 -0.271 1.00 0.00 H new ATOM 0 HZ PHE A 26 66.653 8.155 -1.439 1.00 0.00 H new ATOM 393 N ASP A 27 66.212 10.703 4.322 1.00 0.00 N ATOM 394 CA ASP A 27 66.768 12.024 3.904 1.00 0.00 C ATOM 395 C ASP A 27 67.885 12.465 4.856 1.00 0.00 C ATOM 396 O ASP A 27 68.505 13.492 4.663 1.00 0.00 O ATOM 397 CB ASP A 27 65.586 12.992 3.980 1.00 0.00 C ATOM 398 CG ASP A 27 65.026 13.226 2.576 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.592 12.264 1.965 1.00 0.00 O ATOM 400 OD2 ASP A 27 65.041 14.363 2.136 1.00 0.00 O ATOM 0 H ASP A 27 65.268 10.732 4.708 1.00 0.00 H new ATOM 0 HA ASP A 27 67.205 11.986 2.906 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.811 12.585 4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.905 13.938 4.418 1.00 0.00 H new ATOM 405 N MET A 28 68.146 11.702 5.882 1.00 0.00 N ATOM 406 CA MET A 28 69.223 12.087 6.839 1.00 0.00 C ATOM 407 C MET A 28 70.570 12.169 6.119 1.00 0.00 C ATOM 408 O MET A 28 71.530 12.706 6.638 1.00 0.00 O ATOM 409 CB MET A 28 69.247 10.970 7.883 1.00 0.00 C ATOM 410 CG MET A 28 67.979 11.041 8.734 1.00 0.00 C ATOM 411 SD MET A 28 67.916 12.633 9.593 1.00 0.00 S ATOM 412 CE MET A 28 69.558 12.550 10.349 1.00 0.00 C ATOM 0 H MET A 28 67.662 10.831 6.099 1.00 0.00 H new ATOM 0 HA MET A 28 69.041 13.064 7.288 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.314 9.999 7.391 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.129 11.068 8.516 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.098 10.921 8.103 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.967 10.225 9.457 1.00 0.00 H new ATOM 0 HE1 MET A 28 69.583 13.183 11.236 1.00 0.00 H new ATOM 0 HE2 MET A 28 69.776 11.520 10.632 1.00 0.00 H new ATOM 0 HE3 MET A 28 70.305 12.896 9.635 1.00 0.00 H new ATOM 422 N PHE A 29 70.655 11.633 4.934 1.00 0.00 N ATOM 423 CA PHE A 29 71.950 11.674 4.191 1.00 0.00 C ATOM 424 C PHE A 29 71.767 12.377 2.844 1.00 0.00 C ATOM 425 O PHE A 29 72.724 12.753 2.196 1.00 0.00 O ATOM 426 CB PHE A 29 72.348 10.206 3.974 1.00 0.00 C ATOM 427 CG PHE A 29 71.843 9.355 5.118 1.00 0.00 C ATOM 428 CD1 PHE A 29 72.576 9.274 6.307 1.00 0.00 C ATOM 429 CD2 PHE A 29 70.637 8.658 4.988 1.00 0.00 C ATOM 430 CE1 PHE A 29 72.101 8.494 7.368 1.00 0.00 C ATOM 431 CE2 PHE A 29 70.163 7.877 6.049 1.00 0.00 C ATOM 432 CZ PHE A 29 70.895 7.795 7.239 1.00 0.00 C ATOM 0 H PHE A 29 69.888 11.169 4.447 1.00 0.00 H new ATOM 0 HA PHE A 29 72.714 12.224 4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.935 9.845 3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.432 10.122 3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 29 73.507 9.812 6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.072 8.722 4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 29 72.665 8.431 8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 29 69.233 7.338 5.949 1.00 0.00 H new ATOM 0 HZ PHE A 29 70.530 7.193 8.058 1.00 0.00 H new ATOM 442 N ASP A 30 70.548 12.554 2.415 1.00 0.00 N ATOM 443 CA ASP A 30 70.312 13.227 1.106 1.00 0.00 C ATOM 444 C ASP A 30 70.792 14.680 1.164 1.00 0.00 C ATOM 445 O ASP A 30 70.019 15.593 1.374 1.00 0.00 O ATOM 446 CB ASP A 30 68.799 13.169 0.896 1.00 0.00 C ATOM 447 CG ASP A 30 68.379 11.728 0.597 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.383 10.928 1.517 1.00 0.00 O ATOM 449 OD2 ASP A 30 68.062 11.450 -0.548 1.00 0.00 O ATOM 0 H ASP A 30 69.707 12.263 2.913 1.00 0.00 H new ATOM 0 HA ASP A 30 70.854 12.746 0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.284 13.532 1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.510 13.821 0.072 1.00 0.00 H new ATOM 454 N ALA A 31 72.065 14.897 0.977 1.00 0.00 N ATOM 455 CA ALA A 31 72.599 16.289 1.019 1.00 0.00 C ATOM 456 C ALA A 31 72.271 17.017 -0.287 1.00 0.00 C ATOM 457 O ALA A 31 72.125 18.223 -0.317 1.00 0.00 O ATOM 458 CB ALA A 31 74.111 16.127 1.179 1.00 0.00 C ATOM 0 H ALA A 31 72.759 14.171 0.797 1.00 0.00 H new ATOM 0 HA ALA A 31 72.165 16.876 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 31 74.580 17.110 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 31 74.323 15.586 2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 31 74.509 15.569 0.332 1.00 0.00 H new ATOM 464 N ASP A 32 72.156 16.294 -1.366 1.00 0.00 N ATOM 465 CA ASP A 32 71.837 16.944 -2.670 1.00 0.00 C ATOM 466 C ASP A 32 70.331 16.880 -2.938 1.00 0.00 C ATOM 467 O ASP A 32 69.744 17.808 -3.456 1.00 0.00 O ATOM 468 CB ASP A 32 72.603 16.132 -3.714 1.00 0.00 C ATOM 469 CG ASP A 32 74.105 16.272 -3.466 1.00 0.00 C ATOM 470 OD1 ASP A 32 74.637 17.331 -3.757 1.00 0.00 O ATOM 471 OD2 ASP A 32 74.699 15.318 -2.990 1.00 0.00 O ATOM 0 H ASP A 32 72.269 15.281 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 32 72.117 17.997 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 32 72.311 15.083 -3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 32 72.355 16.482 -4.716 1.00 0.00 H new ATOM 476 N GLY A 33 69.702 15.791 -2.587 1.00 0.00 N ATOM 477 CA GLY A 33 68.235 15.669 -2.823 1.00 0.00 C ATOM 478 C GLY A 33 67.988 15.111 -4.225 1.00 0.00 C ATOM 479 O GLY A 33 67.041 15.480 -4.892 1.00 0.00 O ATOM 0 H GLY A 33 70.140 14.981 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.789 15.013 -2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 33 67.757 16.643 -2.718 1.00 0.00 H new ATOM 483 N GLY A 34 68.832 14.225 -4.678 1.00 0.00 N ATOM 484 CA GLY A 34 68.643 13.645 -6.039 1.00 0.00 C ATOM 485 C GLY A 34 67.775 12.388 -5.942 1.00 0.00 C ATOM 486 O GLY A 34 67.868 11.494 -6.759 1.00 0.00 O ATOM 0 H GLY A 34 69.643 13.878 -4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 34 68.171 14.376 -6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 34 69.610 13.399 -6.479 1.00 0.00 H new ATOM 490 N GLY A 35 66.933 12.314 -4.949 1.00 0.00 N ATOM 491 CA GLY A 35 66.061 11.116 -4.799 1.00 0.00 C ATOM 492 C GLY A 35 66.675 10.163 -3.773 1.00 0.00 C ATOM 493 O GLY A 35 66.015 9.285 -3.253 1.00 0.00 O ATOM 0 H GLY A 35 66.811 13.032 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 35 65.063 11.417 -4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 35 65.950 10.611 -5.759 1.00 0.00 H new ATOM 497 N ASP A 36 67.935 10.328 -3.478 1.00 0.00 N ATOM 498 CA ASP A 36 68.593 9.431 -2.485 1.00 0.00 C ATOM 499 C ASP A 36 70.026 9.896 -2.220 1.00 0.00 C ATOM 500 O ASP A 36 70.345 11.062 -2.346 1.00 0.00 O ATOM 501 CB ASP A 36 68.592 8.049 -3.140 1.00 0.00 C ATOM 502 CG ASP A 36 68.567 6.970 -2.056 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.427 7.005 -1.192 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.689 6.124 -2.111 1.00 0.00 O ATOM 0 H ASP A 36 68.538 11.045 -3.881 1.00 0.00 H new ATOM 0 HA ASP A 36 68.077 9.429 -1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 36 67.725 7.945 -3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 36 69.477 7.931 -3.765 1.00 0.00 H new ATOM 509 N ILE A 37 70.892 8.992 -1.859 1.00 0.00 N ATOM 510 CA ILE A 37 72.307 9.380 -1.592 1.00 0.00 C ATOM 511 C ILE A 37 73.252 8.524 -2.435 1.00 0.00 C ATOM 512 O ILE A 37 72.849 7.551 -3.041 1.00 0.00 O ATOM 513 CB ILE A 37 72.526 9.116 -0.100 1.00 0.00 C ATOM 514 CG1 ILE A 37 72.228 7.648 0.220 1.00 0.00 C ATOM 515 CG2 ILE A 37 71.595 10.010 0.717 1.00 0.00 C ATOM 516 CD1 ILE A 37 72.215 7.450 1.737 1.00 0.00 C ATOM 0 H ILE A 37 70.683 8.001 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 37 72.504 10.421 -1.848 1.00 0.00 H new ATOM 0 HB ILE A 37 73.563 9.336 0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 37 71.266 7.360 -0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.981 7.005 -0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 37 71.750 9.823 1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 37 71.810 11.056 0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 37 70.559 9.790 0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 37 72.003 6.406 1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 37 73.188 7.721 2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 37 71.445 8.082 2.180 1.00 0.00 H new ATOM 528 N SER A 38 74.507 8.876 -2.480 1.00 0.00 N ATOM 529 CA SER A 38 75.473 8.080 -3.289 1.00 0.00 C ATOM 530 C SER A 38 75.435 6.612 -2.859 1.00 0.00 C ATOM 531 O SER A 38 75.446 6.299 -1.684 1.00 0.00 O ATOM 532 CB SER A 38 76.841 8.691 -2.988 1.00 0.00 C ATOM 533 OG SER A 38 76.813 9.295 -1.702 1.00 0.00 O ATOM 0 H SER A 38 74.905 9.679 -1.993 1.00 0.00 H new ATOM 0 HA SER A 38 75.241 8.107 -4.354 1.00 0.00 H new ATOM 0 HB2 SER A 38 77.612 7.921 -3.024 1.00 0.00 H new ATOM 0 HB3 SER A 38 77.095 9.433 -3.745 1.00 0.00 H new ATOM 0 HG SER A 38 76.710 10.265 -1.798 1.00 0.00 H new ATOM 539 N THR A 39 75.388 5.710 -3.800 1.00 0.00 N ATOM 540 CA THR A 39 75.349 4.263 -3.443 1.00 0.00 C ATOM 541 C THR A 39 76.345 3.974 -2.318 1.00 0.00 C ATOM 542 O THR A 39 76.138 3.098 -1.502 1.00 0.00 O ATOM 543 CB THR A 39 75.753 3.531 -4.723 1.00 0.00 C ATOM 544 OG1 THR A 39 77.076 3.904 -5.082 1.00 0.00 O ATOM 545 CG2 THR A 39 74.790 3.906 -5.851 1.00 0.00 C ATOM 0 H THR A 39 75.375 5.911 -4.800 1.00 0.00 H new ATOM 0 HA THR A 39 74.368 3.947 -3.087 1.00 0.00 H new ATOM 0 HB THR A 39 75.712 2.455 -4.556 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.337 3.434 -5.901 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.078 3.384 -6.764 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.776 3.619 -5.574 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.829 4.982 -6.020 1.00 0.00 H new ATOM 553 N LYS A 40 77.424 4.706 -2.268 1.00 0.00 N ATOM 554 CA LYS A 40 78.432 4.478 -1.195 1.00 0.00 C ATOM 555 C LYS A 40 77.808 4.748 0.176 1.00 0.00 C ATOM 556 O LYS A 40 78.140 4.113 1.157 1.00 0.00 O ATOM 557 CB LYS A 40 79.550 5.481 -1.484 1.00 0.00 C ATOM 558 CG LYS A 40 80.349 5.017 -2.703 1.00 0.00 C ATOM 559 CD LYS A 40 81.653 4.364 -2.242 1.00 0.00 C ATOM 560 CE LYS A 40 82.551 5.420 -1.592 1.00 0.00 C ATOM 561 NZ LYS A 40 82.685 4.989 -0.173 1.00 0.00 N ATOM 0 H LYS A 40 77.651 5.453 -2.925 1.00 0.00 H new ATOM 0 HA LYS A 40 78.800 3.452 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.128 6.469 -1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 40 80.206 5.570 -0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 40 79.762 4.308 -3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.565 5.865 -3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.441 3.565 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 40 82.164 3.909 -3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 40 83.523 5.469 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.108 6.413 -1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 82.764 5.827 0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 81.848 4.437 0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 83.537 4.402 -0.068 1.00 0.00 H new ATOM 575 N GLU A 41 76.903 5.685 0.250 1.00 0.00 N ATOM 576 CA GLU A 41 76.253 5.996 1.554 1.00 0.00 C ATOM 577 C GLU A 41 75.010 5.122 1.744 1.00 0.00 C ATOM 578 O GLU A 41 74.254 5.295 2.679 1.00 0.00 O ATOM 579 CB GLU A 41 75.863 7.473 1.458 1.00 0.00 C ATOM 580 CG GLU A 41 75.503 8.000 2.849 1.00 0.00 C ATOM 581 CD GLU A 41 76.759 8.034 3.723 1.00 0.00 C ATOM 582 OE1 GLU A 41 77.492 9.005 3.635 1.00 0.00 O ATOM 583 OE2 GLU A 41 76.965 7.089 4.465 1.00 0.00 O ATOM 0 H GLU A 41 76.585 6.249 -0.538 1.00 0.00 H new ATOM 0 HA GLU A 41 76.910 5.803 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.688 8.051 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 41 75.016 7.593 0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 41 75.074 8.999 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.746 7.363 3.306 1.00 0.00 H new ATOM 590 N LEU A 42 74.793 4.186 0.861 1.00 0.00 N ATOM 591 CA LEU A 42 73.600 3.301 0.986 1.00 0.00 C ATOM 592 C LEU A 42 73.751 2.371 2.192 1.00 0.00 C ATOM 593 O LEU A 42 72.826 1.686 2.580 1.00 0.00 O ATOM 594 CB LEU A 42 73.568 2.494 -0.313 1.00 0.00 C ATOM 595 CG LEU A 42 72.154 1.962 -0.550 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.676 2.383 -1.941 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.161 0.436 -0.454 1.00 0.00 C ATOM 0 H LEU A 42 75.391 3.996 0.057 1.00 0.00 H new ATOM 0 HA LEU A 42 72.681 3.868 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.877 3.120 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.275 1.666 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 42 71.481 2.371 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.668 2.004 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.671 3.471 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.348 1.975 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.153 0.056 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.834 0.027 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.501 0.135 0.537 1.00 0.00 H new ATOM 609 N GLY A 43 74.912 2.340 2.787 1.00 0.00 N ATOM 610 CA GLY A 43 75.122 1.454 3.967 1.00 0.00 C ATOM 611 C GLY A 43 74.599 2.147 5.227 1.00 0.00 C ATOM 612 O GLY A 43 74.129 1.509 6.148 1.00 0.00 O ATOM 0 H GLY A 43 75.724 2.890 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.605 0.506 3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 43 76.182 1.225 4.079 1.00 0.00 H new ATOM 616 N THR A 44 74.678 3.448 5.274 1.00 0.00 N ATOM 617 CA THR A 44 74.188 4.181 6.477 1.00 0.00 C ATOM 618 C THR A 44 72.657 4.206 6.497 1.00 0.00 C ATOM 619 O THR A 44 72.035 3.867 7.484 1.00 0.00 O ATOM 620 CB THR A 44 74.745 5.598 6.329 1.00 0.00 C ATOM 621 OG1 THR A 44 76.150 5.577 6.532 1.00 0.00 O ATOM 622 CG2 THR A 44 74.091 6.515 7.363 1.00 0.00 C ATOM 0 H THR A 44 75.060 4.035 4.533 1.00 0.00 H new ATOM 0 HA THR A 44 74.509 3.710 7.406 1.00 0.00 H new ATOM 0 HB THR A 44 74.529 5.971 5.328 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.580 6.202 5.911 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.488 7.524 7.257 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.013 6.531 7.205 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.305 6.144 8.365 1.00 0.00 H new ATOM 630 N VAL A 45 72.046 4.611 5.417 1.00 0.00 N ATOM 631 CA VAL A 45 70.556 4.662 5.376 1.00 0.00 C ATOM 632 C VAL A 45 69.959 3.386 5.976 1.00 0.00 C ATOM 633 O VAL A 45 68.929 3.413 6.619 1.00 0.00 O ATOM 634 CB VAL A 45 70.204 4.768 3.892 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.878 3.629 3.124 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.687 4.668 3.720 1.00 0.00 C ATOM 0 H VAL A 45 72.514 4.909 4.561 1.00 0.00 H new ATOM 0 HA VAL A 45 70.159 5.497 5.953 1.00 0.00 H new ATOM 0 HB VAL A 45 70.553 5.725 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.627 3.705 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.959 3.698 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 45 70.529 2.672 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.435 4.743 2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.339 3.711 4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.205 5.478 4.267 1.00 0.00 H new ATOM 646 N MET A 46 70.595 2.266 5.767 1.00 0.00 N ATOM 647 CA MET A 46 70.060 0.990 6.323 1.00 0.00 C ATOM 648 C MET A 46 70.423 0.855 7.805 1.00 0.00 C ATOM 649 O MET A 46 69.565 0.850 8.665 1.00 0.00 O ATOM 650 CB MET A 46 70.739 -0.108 5.503 1.00 0.00 C ATOM 651 CG MET A 46 70.042 -0.239 4.148 1.00 0.00 C ATOM 652 SD MET A 46 71.090 -1.189 3.019 1.00 0.00 S ATOM 653 CE MET A 46 70.364 -2.814 3.350 1.00 0.00 C ATOM 0 H MET A 46 71.461 2.179 5.236 1.00 0.00 H new ATOM 0 HA MET A 46 68.973 0.938 6.262 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.793 0.130 5.360 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.696 -1.056 6.039 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.078 -0.733 4.269 1.00 0.00 H new ATOM 0 HG3 MET A 46 69.843 0.749 3.732 1.00 0.00 H new ATOM 0 HE1 MET A 46 71.143 -3.499 3.686 1.00 0.00 H new ATOM 0 HE2 MET A 46 69.603 -2.721 4.125 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.909 -3.202 2.439 1.00 0.00 H new ATOM 663 N ARG A 47 71.686 0.737 8.107 1.00 0.00 N ATOM 664 CA ARG A 47 72.105 0.593 9.532 1.00 0.00 C ATOM 665 C ARG A 47 71.476 1.692 10.395 1.00 0.00 C ATOM 666 O ARG A 47 71.260 1.515 11.578 1.00 0.00 O ATOM 667 CB ARG A 47 73.627 0.736 9.509 1.00 0.00 C ATOM 668 CG ARG A 47 74.262 -0.439 10.257 1.00 0.00 C ATOM 669 CD ARG A 47 75.169 0.093 11.369 1.00 0.00 C ATOM 670 NE ARG A 47 76.555 -0.096 10.857 1.00 0.00 N ATOM 671 CZ ARG A 47 77.437 -0.728 11.581 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.066 -1.728 12.335 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.689 -0.362 11.553 1.00 0.00 N ATOM 0 H ARG A 47 72.448 0.734 7.429 1.00 0.00 H new ATOM 0 HA ARG A 47 71.786 -0.358 9.958 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.985 0.762 8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.921 1.678 9.972 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.486 -1.076 10.680 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.838 -1.055 9.566 1.00 0.00 H new ATOM 0 HD2 ARG A 47 74.965 1.143 11.577 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.014 -0.452 12.300 1.00 0.00 H new ATOM 0 HE ARG A 47 76.814 0.269 9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 47 76.087 -2.014 12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 47 77.755 -2.223 12.901 1.00 0.00 H new ATOM 0 HH21 ARG A 47 78.979 0.419 10.965 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.378 -0.857 12.120 1.00 0.00 H new ATOM 687 N MET A 48 71.185 2.826 9.818 1.00 0.00 N ATOM 688 CA MET A 48 70.576 3.932 10.615 1.00 0.00 C ATOM 689 C MET A 48 69.085 3.671 10.856 1.00 0.00 C ATOM 690 O MET A 48 68.378 4.514 11.371 1.00 0.00 O ATOM 691 CB MET A 48 70.765 5.187 9.763 1.00 0.00 C ATOM 692 CG MET A 48 72.131 5.809 10.062 1.00 0.00 C ATOM 693 SD MET A 48 72.068 6.664 11.656 1.00 0.00 S ATOM 694 CE MET A 48 73.855 6.783 11.920 1.00 0.00 C ATOM 0 H MET A 48 71.342 3.035 8.832 1.00 0.00 H new ATOM 0 HA MET A 48 71.040 4.027 11.597 1.00 0.00 H new ATOM 0 HB2 MET A 48 70.693 4.935 8.705 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.973 5.905 9.975 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.898 5.035 10.082 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.405 6.509 9.272 1.00 0.00 H new ATOM 0 HE1 MET A 48 74.050 7.288 12.866 1.00 0.00 H new ATOM 0 HE2 MET A 48 74.286 5.782 11.947 1.00 0.00 H new ATOM 0 HE3 MET A 48 74.306 7.351 11.106 1.00 0.00 H new ATOM 704 N LEU A 49 68.598 2.517 10.489 1.00 0.00 N ATOM 705 CA LEU A 49 67.151 2.223 10.701 1.00 0.00 C ATOM 706 C LEU A 49 66.978 1.077 11.703 1.00 0.00 C ATOM 707 O LEU A 49 66.118 1.118 12.562 1.00 0.00 O ATOM 708 CB LEU A 49 66.624 1.821 9.324 1.00 0.00 C ATOM 709 CG LEU A 49 66.718 3.018 8.376 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.285 2.594 6.973 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.799 4.136 8.876 1.00 0.00 C ATOM 0 H LEU A 49 69.136 1.768 10.053 1.00 0.00 H new ATOM 0 HA LEU A 49 66.613 3.078 11.110 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.202 0.985 8.931 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.590 1.485 9.402 1.00 0.00 H new ATOM 0 HG LEU A 49 67.747 3.377 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.352 3.447 6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.937 1.797 6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.256 2.235 7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.865 4.990 8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.771 3.776 8.906 1.00 0.00 H new ATOM 0 HD23 LEU A 49 66.106 4.440 9.877 1.00 0.00 H new ATOM 723 N GLY A 50 67.787 0.058 11.607 1.00 0.00 N ATOM 724 CA GLY A 50 67.661 -1.081 12.560 1.00 0.00 C ATOM 725 C GLY A 50 68.130 -2.376 11.891 1.00 0.00 C ATOM 726 O GLY A 50 68.369 -3.370 12.547 1.00 0.00 O ATOM 0 H GLY A 50 68.528 -0.035 10.912 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.256 -0.887 13.453 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.625 -1.183 12.883 1.00 0.00 H new ATOM 730 N GLN A 51 68.265 -2.375 10.593 1.00 0.00 N ATOM 731 CA GLN A 51 68.719 -3.613 9.895 1.00 0.00 C ATOM 732 C GLN A 51 70.244 -3.729 9.971 1.00 0.00 C ATOM 733 O GLN A 51 70.870 -3.205 10.872 1.00 0.00 O ATOM 734 CB GLN A 51 68.265 -3.445 8.443 1.00 0.00 C ATOM 735 CG GLN A 51 66.837 -2.897 8.409 1.00 0.00 C ATOM 736 CD GLN A 51 66.853 -1.463 7.876 1.00 0.00 C ATOM 737 OE1 GLN A 51 67.905 -0.887 7.677 1.00 0.00 O ATOM 738 NE2 GLN A 51 65.723 -0.858 7.633 1.00 0.00 N ATOM 0 H GLN A 51 68.082 -1.575 9.987 1.00 0.00 H new ATOM 0 HA GLN A 51 68.306 -4.516 10.346 1.00 0.00 H new ATOM 0 HB2 GLN A 51 68.938 -2.767 7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.310 -4.403 7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.210 -3.525 7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.404 -2.920 9.409 1.00 0.00 H new ATOM 0 HE21 GLN A 51 64.840 -1.341 7.800 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.723 0.098 7.276 1.00 0.00 H new ATOM 747 N ASN A 52 70.848 -4.411 9.037 1.00 0.00 N ATOM 748 CA ASN A 52 72.332 -4.559 9.066 1.00 0.00 C ATOM 749 C ASN A 52 72.869 -4.813 7.654 1.00 0.00 C ATOM 750 O ASN A 52 72.935 -5.941 7.209 1.00 0.00 O ATOM 751 CB ASN A 52 72.591 -5.770 9.963 1.00 0.00 C ATOM 752 CG ASN A 52 73.641 -5.412 11.015 1.00 0.00 C ATOM 753 OD1 ASN A 52 74.816 -5.338 10.717 1.00 0.00 O ATOM 754 ND2 ASN A 52 73.265 -5.185 12.244 1.00 0.00 N ATOM 0 H ASN A 52 70.380 -4.871 8.256 1.00 0.00 H new ATOM 0 HA ASN A 52 72.828 -3.662 9.436 1.00 0.00 H new ATOM 0 HB2 ASN A 52 71.666 -6.080 10.449 1.00 0.00 H new ATOM 0 HB3 ASN A 52 72.935 -6.613 9.363 1.00 0.00 H new ATOM 0 HD21 ASN A 52 73.958 -4.946 12.953 1.00 0.00 H new ATOM 0 HD22 ASN A 52 72.278 -5.247 12.495 1.00 0.00 H new ATOM 761 N PRO A 53 73.237 -3.746 6.999 1.00 0.00 N ATOM 762 CA PRO A 53 73.779 -3.847 5.623 1.00 0.00 C ATOM 763 C PRO A 53 75.206 -4.403 5.652 1.00 0.00 C ATOM 764 O PRO A 53 76.171 -3.664 5.621 1.00 0.00 O ATOM 765 CB PRO A 53 73.768 -2.404 5.128 1.00 0.00 C ATOM 766 CG PRO A 53 73.830 -1.567 6.366 1.00 0.00 C ATOM 767 CD PRO A 53 73.184 -2.360 7.474 1.00 0.00 C ATOM 0 HA PRO A 53 73.204 -4.516 4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.617 -2.205 4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.867 -2.191 4.553 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.863 -1.327 6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 53 73.310 -0.621 6.217 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.721 -2.240 8.415 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.158 -2.037 7.649 1.00 0.00 H new ATOM 775 N THR A 54 75.349 -5.698 5.713 1.00 0.00 N ATOM 776 CA THR A 54 76.714 -6.299 5.746 1.00 0.00 C ATOM 777 C THR A 54 77.499 -5.904 4.491 1.00 0.00 C ATOM 778 O THR A 54 76.943 -5.754 3.421 1.00 0.00 O ATOM 779 CB THR A 54 76.481 -7.810 5.779 1.00 0.00 C ATOM 780 OG1 THR A 54 75.168 -8.095 5.320 1.00 0.00 O ATOM 781 CG2 THR A 54 76.646 -8.322 7.211 1.00 0.00 C ATOM 0 H THR A 54 74.580 -6.367 5.741 1.00 0.00 H new ATOM 0 HA THR A 54 77.294 -5.957 6.603 1.00 0.00 H new ATOM 0 HB THR A 54 77.207 -8.304 5.133 1.00 0.00 H new ATOM 0 HG1 THR A 54 74.839 -8.909 5.755 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.480 -9.399 7.234 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.655 -8.103 7.562 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.921 -7.829 7.859 1.00 0.00 H new ATOM 789 N LYS A 55 78.787 -5.737 4.615 1.00 0.00 N ATOM 790 CA LYS A 55 79.607 -5.354 3.430 1.00 0.00 C ATOM 791 C LYS A 55 79.234 -6.224 2.227 1.00 0.00 C ATOM 792 O LYS A 55 78.808 -5.732 1.201 1.00 0.00 O ATOM 793 CB LYS A 55 81.054 -5.611 3.849 1.00 0.00 C ATOM 794 CG LYS A 55 81.999 -4.832 2.933 1.00 0.00 C ATOM 795 CD LYS A 55 82.990 -4.032 3.781 1.00 0.00 C ATOM 796 CE LYS A 55 83.724 -3.024 2.895 1.00 0.00 C ATOM 797 NZ LYS A 55 85.099 -3.577 2.740 1.00 0.00 N ATOM 0 H LYS A 55 79.307 -5.849 5.485 1.00 0.00 H new ATOM 0 HA LYS A 55 79.447 -4.317 3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.203 -5.307 4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.275 -6.677 3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.536 -5.519 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.429 -4.160 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.463 -3.512 4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.705 -4.705 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 55 83.231 -2.915 1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.745 -2.036 3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.664 -2.940 2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.546 -3.663 3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.048 -4.515 2.293 1.00 0.00 H new ATOM 811 N GLU A 56 79.390 -7.514 2.346 1.00 0.00 N ATOM 812 CA GLU A 56 79.043 -8.414 1.209 1.00 0.00 C ATOM 813 C GLU A 56 77.670 -8.043 0.643 1.00 0.00 C ATOM 814 O GLU A 56 77.497 -7.902 -0.551 1.00 0.00 O ATOM 815 CB GLU A 56 79.015 -9.818 1.813 1.00 0.00 C ATOM 816 CG GLU A 56 79.581 -10.820 0.803 1.00 0.00 C ATOM 817 CD GLU A 56 80.973 -11.270 1.252 1.00 0.00 C ATOM 818 OE1 GLU A 56 81.315 -11.023 2.396 1.00 0.00 O ATOM 819 OE2 GLU A 56 81.674 -11.855 0.442 1.00 0.00 O ATOM 0 H GLU A 56 79.742 -7.984 3.180 1.00 0.00 H new ATOM 0 HA GLU A 56 79.755 -8.338 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.601 -9.842 2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 56 77.994 -10.091 2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 56 78.918 -11.681 0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 56 79.636 -10.364 -0.185 1.00 0.00 H new ATOM 826 N GLU A 57 76.691 -7.882 1.492 1.00 0.00 N ATOM 827 CA GLU A 57 75.332 -7.517 1.000 1.00 0.00 C ATOM 828 C GLU A 57 75.315 -6.059 0.533 1.00 0.00 C ATOM 829 O GLU A 57 74.791 -5.740 -0.515 1.00 0.00 O ATOM 830 CB GLU A 57 74.409 -7.708 2.203 1.00 0.00 C ATOM 831 CG GLU A 57 74.385 -9.186 2.597 1.00 0.00 C ATOM 832 CD GLU A 57 73.040 -9.797 2.203 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.031 -9.351 2.727 1.00 0.00 O ATOM 834 OE2 GLU A 57 73.039 -10.700 1.383 1.00 0.00 O ATOM 0 H GLU A 57 76.773 -7.987 2.503 1.00 0.00 H new ATOM 0 HA GLU A 57 75.022 -8.126 0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 57 74.756 -7.103 3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 57 73.402 -7.369 1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.197 -9.718 2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.543 -9.290 3.670 1.00 0.00 H new ATOM 841 N LEU A 58 75.888 -5.173 1.301 1.00 0.00 N ATOM 842 CA LEU A 58 75.907 -3.739 0.896 1.00 0.00 C ATOM 843 C LEU A 58 76.696 -3.574 -0.405 1.00 0.00 C ATOM 844 O LEU A 58 76.299 -2.853 -1.298 1.00 0.00 O ATOM 845 CB LEU A 58 76.601 -3.013 2.050 1.00 0.00 C ATOM 846 CG LEU A 58 77.057 -1.630 1.583 1.00 0.00 C ATOM 847 CD1 LEU A 58 75.887 -0.903 0.918 1.00 0.00 C ATOM 848 CD2 LEU A 58 77.541 -0.820 2.789 1.00 0.00 C ATOM 0 H LEU A 58 76.343 -5.380 2.190 1.00 0.00 H new ATOM 0 HA LEU A 58 74.908 -3.342 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 58 75.919 -2.917 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.457 -3.592 2.396 1.00 0.00 H new ATOM 0 HG LEU A 58 77.871 -1.739 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.213 0.083 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 58 75.541 -1.479 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 58 75.072 -0.793 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 58 77.866 0.166 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 58 76.726 -0.712 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 58 78.375 -1.337 3.263 1.00 0.00 H new ATOM 860 N ASP A 59 77.812 -4.244 -0.522 1.00 0.00 N ATOM 861 CA ASP A 59 78.622 -4.131 -1.769 1.00 0.00 C ATOM 862 C ASP A 59 77.857 -4.741 -2.945 1.00 0.00 C ATOM 863 O ASP A 59 77.756 -4.155 -4.004 1.00 0.00 O ATOM 864 CB ASP A 59 79.897 -4.926 -1.486 1.00 0.00 C ATOM 865 CG ASP A 59 80.759 -4.166 -0.476 1.00 0.00 C ATOM 866 OD1 ASP A 59 80.276 -3.185 0.066 1.00 0.00 O ATOM 867 OD2 ASP A 59 81.887 -4.579 -0.260 1.00 0.00 O ATOM 0 H ASP A 59 78.197 -4.864 0.191 1.00 0.00 H new ATOM 0 HA ASP A 59 78.840 -3.096 -2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 59 79.644 -5.912 -1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.453 -5.082 -2.410 1.00 0.00 H new ATOM 872 N ALA A 60 77.311 -5.911 -2.763 1.00 0.00 N ATOM 873 CA ALA A 60 76.546 -6.555 -3.867 1.00 0.00 C ATOM 874 C ALA A 60 75.328 -5.700 -4.224 1.00 0.00 C ATOM 875 O ALA A 60 74.848 -5.719 -5.340 1.00 0.00 O ATOM 876 CB ALA A 60 76.107 -7.909 -3.308 1.00 0.00 C ATOM 0 H ALA A 60 77.361 -6.449 -1.898 1.00 0.00 H new ATOM 0 HA ALA A 60 77.138 -6.665 -4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.535 -8.447 -4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 60 76.986 -8.492 -3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.486 -7.754 -2.426 1.00 0.00 H new ATOM 882 N ILE A 61 74.827 -4.945 -3.283 1.00 0.00 N ATOM 883 CA ILE A 61 73.644 -4.085 -3.569 1.00 0.00 C ATOM 884 C ILE A 61 74.062 -2.885 -4.421 1.00 0.00 C ATOM 885 O ILE A 61 73.562 -2.683 -5.510 1.00 0.00 O ATOM 886 CB ILE A 61 73.145 -3.624 -2.199 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.443 -4.789 -1.495 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.161 -2.468 -2.379 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.355 -4.503 0.005 1.00 0.00 C ATOM 0 H ILE A 61 75.186 -4.887 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 61 72.870 -4.616 -4.123 1.00 0.00 H new ATOM 0 HB ILE A 61 73.990 -3.291 -1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.444 -4.928 -1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 61 72.991 -5.715 -1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.804 -2.138 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.661 -1.640 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.315 -2.800 -2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.855 -5.333 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.359 -4.386 0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.788 -3.587 0.168 1.00 0.00 H new ATOM 901 N ILE A 62 74.979 -2.091 -3.941 1.00 0.00 N ATOM 902 CA ILE A 62 75.423 -0.913 -4.740 1.00 0.00 C ATOM 903 C ILE A 62 75.737 -1.355 -6.168 1.00 0.00 C ATOM 904 O ILE A 62 75.106 -0.927 -7.113 1.00 0.00 O ATOM 905 CB ILE A 62 76.686 -0.405 -4.047 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.307 0.277 -2.731 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.391 0.602 -4.958 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.552 0.430 -1.856 1.00 0.00 C ATOM 0 H ILE A 62 75.438 -2.205 -3.037 1.00 0.00 H new ATOM 0 HA ILE A 62 74.660 -0.137 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 62 77.353 -1.243 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.867 1.254 -2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.553 -0.312 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.293 0.967 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.659 0.118 -5.897 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.723 1.440 -5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.281 0.916 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 62 77.972 -0.554 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.292 1.037 -2.378 1.00 0.00 H new ATOM 920 N GLU A 63 76.701 -2.218 -6.333 1.00 0.00 N ATOM 921 CA GLU A 63 77.043 -2.694 -7.703 1.00 0.00 C ATOM 922 C GLU A 63 75.777 -3.188 -8.406 1.00 0.00 C ATOM 923 O GLU A 63 75.623 -3.050 -9.604 1.00 0.00 O ATOM 924 CB GLU A 63 78.027 -3.843 -7.487 1.00 0.00 C ATOM 925 CG GLU A 63 79.053 -3.856 -8.623 1.00 0.00 C ATOM 926 CD GLU A 63 80.339 -4.533 -8.144 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.246 -5.626 -7.611 1.00 0.00 O ATOM 928 OE2 GLU A 63 81.394 -3.947 -8.321 1.00 0.00 O ATOM 0 H GLU A 63 77.265 -2.613 -5.581 1.00 0.00 H new ATOM 0 HA GLU A 63 77.472 -1.910 -8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.532 -3.728 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.493 -4.792 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.650 -4.387 -9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.265 -2.837 -8.947 1.00 0.00 H new ATOM 935 N GLU A 64 74.864 -3.756 -7.664 1.00 0.00 N ATOM 936 CA GLU A 64 73.600 -4.253 -8.279 1.00 0.00 C ATOM 937 C GLU A 64 72.737 -3.063 -8.716 1.00 0.00 C ATOM 938 O GLU A 64 72.256 -3.007 -9.830 1.00 0.00 O ATOM 939 CB GLU A 64 72.918 -5.058 -7.163 1.00 0.00 C ATOM 940 CG GLU A 64 71.396 -5.050 -7.352 1.00 0.00 C ATOM 941 CD GLU A 64 70.805 -6.344 -6.789 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.391 -6.889 -5.869 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.774 -6.767 -7.288 1.00 0.00 O ATOM 0 H GLU A 64 74.940 -3.897 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 64 73.765 -4.862 -9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.286 -6.084 -7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.173 -4.633 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.961 -4.188 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.151 -4.956 -8.410 1.00 0.00 H new ATOM 950 N VAL A 65 72.543 -2.110 -7.845 1.00 0.00 N ATOM 951 CA VAL A 65 71.717 -0.924 -8.212 1.00 0.00 C ATOM 952 C VAL A 65 72.570 0.082 -8.989 1.00 0.00 C ATOM 953 O VAL A 65 72.068 1.038 -9.547 1.00 0.00 O ATOM 954 CB VAL A 65 71.263 -0.328 -6.879 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.614 -1.419 -6.025 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.474 0.245 -6.138 1.00 0.00 C ATOM 0 H VAL A 65 72.920 -2.101 -6.897 1.00 0.00 H new ATOM 0 HA VAL A 65 70.870 -1.186 -8.847 1.00 0.00 H new ATOM 0 HB VAL A 65 70.540 0.466 -7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.291 -0.993 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.752 -1.828 -6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.337 -2.214 -5.839 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.151 0.670 -5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.197 -0.550 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.937 1.023 -6.745 1.00 0.00 H new ATOM 966 N ASP A 66 73.858 -0.128 -9.028 1.00 0.00 N ATOM 967 CA ASP A 66 74.749 0.810 -9.768 1.00 0.00 C ATOM 968 C ASP A 66 74.763 0.456 -11.258 1.00 0.00 C ATOM 969 O ASP A 66 74.843 1.318 -12.110 1.00 0.00 O ATOM 970 CB ASP A 66 76.134 0.605 -9.154 1.00 0.00 C ATOM 971 CG ASP A 66 77.172 1.385 -9.963 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.771 2.231 -10.745 1.00 0.00 O ATOM 973 OD2 ASP A 66 78.350 1.123 -9.785 1.00 0.00 O ATOM 0 H ASP A 66 74.332 -0.911 -8.578 1.00 0.00 H new ATOM 0 HA ASP A 66 74.419 1.846 -9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.137 0.942 -8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.386 -0.455 -9.145 1.00 0.00 H new ATOM 978 N GLU A 67 74.689 -0.808 -11.575 1.00 0.00 N ATOM 979 CA GLU A 67 74.698 -1.221 -13.007 1.00 0.00 C ATOM 980 C GLU A 67 73.413 -0.760 -13.701 1.00 0.00 C ATOM 981 O GLU A 67 73.313 -0.770 -14.912 1.00 0.00 O ATOM 982 CB GLU A 67 74.770 -2.748 -12.977 1.00 0.00 C ATOM 983 CG GLU A 67 76.075 -3.211 -13.631 1.00 0.00 C ATOM 984 CD GLU A 67 77.134 -3.438 -12.551 1.00 0.00 C ATOM 985 OE1 GLU A 67 77.552 -2.465 -11.946 1.00 0.00 O ATOM 986 OE2 GLU A 67 77.508 -4.582 -12.348 1.00 0.00 O ATOM 0 H GLU A 67 74.623 -1.573 -10.904 1.00 0.00 H new ATOM 0 HA GLU A 67 75.530 -0.782 -13.557 1.00 0.00 H new ATOM 0 HB2 GLU A 67 74.720 -3.105 -11.948 1.00 0.00 H new ATOM 0 HB3 GLU A 67 73.916 -3.173 -13.504 1.00 0.00 H new ATOM 0 HG2 GLU A 67 75.907 -4.131 -14.190 1.00 0.00 H new ATOM 0 HG3 GLU A 67 76.422 -2.463 -14.344 1.00 0.00 H new ATOM 993 N ASP A 68 72.429 -0.359 -12.943 1.00 0.00 N ATOM 994 CA ASP A 68 71.152 0.099 -13.561 1.00 0.00 C ATOM 995 C ASP A 68 71.373 1.406 -14.328 1.00 0.00 C ATOM 996 O ASP A 68 70.554 1.812 -15.128 1.00 0.00 O ATOM 997 CB ASP A 68 70.201 0.321 -12.384 1.00 0.00 C ATOM 998 CG ASP A 68 69.124 -0.764 -12.387 1.00 0.00 C ATOM 999 OD1 ASP A 68 69.268 -1.712 -13.144 1.00 0.00 O ATOM 1000 OD2 ASP A 68 68.174 -0.633 -11.633 1.00 0.00 O ATOM 0 H ASP A 68 72.454 -0.329 -11.924 1.00 0.00 H new ATOM 0 HA ASP A 68 70.756 -0.623 -14.275 1.00 0.00 H new ATOM 0 HB2 ASP A 68 70.755 0.296 -11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 68 69.740 1.306 -12.456 1.00 0.00 H new ATOM 1005 N GLY A 69 72.474 2.065 -14.092 1.00 0.00 N ATOM 1006 CA GLY A 69 72.743 3.344 -14.810 1.00 0.00 C ATOM 1007 C GLY A 69 71.988 4.484 -14.125 1.00 0.00 C ATOM 1008 O GLY A 69 71.845 5.561 -14.669 1.00 0.00 O ATOM 0 H GLY A 69 73.198 1.774 -13.435 1.00 0.00 H new ATOM 0 HA2 GLY A 69 73.813 3.553 -14.814 1.00 0.00 H new ATOM 0 HA3 GLY A 69 72.431 3.261 -15.851 1.00 0.00 H new ATOM 1012 N SER A 70 71.501 4.257 -12.935 1.00 0.00 N ATOM 1013 CA SER A 70 70.755 5.331 -12.218 1.00 0.00 C ATOM 1014 C SER A 70 71.702 6.114 -11.307 1.00 0.00 C ATOM 1015 O SER A 70 71.288 6.724 -10.341 1.00 0.00 O ATOM 1016 CB SER A 70 69.702 4.595 -11.390 1.00 0.00 C ATOM 1017 OG SER A 70 68.815 3.907 -12.262 1.00 0.00 O ATOM 0 H SER A 70 71.587 3.376 -12.429 1.00 0.00 H new ATOM 0 HA SER A 70 70.306 6.051 -12.903 1.00 0.00 H new ATOM 0 HB2 SER A 70 70.183 3.890 -10.712 1.00 0.00 H new ATOM 0 HB3 SER A 70 69.148 5.303 -10.773 1.00 0.00 H new ATOM 0 HG SER A 70 68.140 3.433 -11.734 1.00 0.00 H new ATOM 1023 N GLY A 71 72.973 6.105 -11.606 1.00 0.00 N ATOM 1024 CA GLY A 71 73.944 6.850 -10.756 1.00 0.00 C ATOM 1025 C GLY A 71 73.882 6.319 -9.324 1.00 0.00 C ATOM 1026 O GLY A 71 74.644 5.454 -8.938 1.00 0.00 O ATOM 0 H GLY A 71 73.380 5.614 -12.402 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.953 6.737 -11.153 1.00 0.00 H new ATOM 0 HA3 GLY A 71 73.713 7.915 -10.770 1.00 0.00 H new ATOM 1030 N THR A 72 72.980 6.828 -8.530 1.00 0.00 N ATOM 1031 CA THR A 72 72.872 6.351 -7.121 1.00 0.00 C ATOM 1032 C THR A 72 71.668 5.417 -6.970 1.00 0.00 C ATOM 1033 O THR A 72 71.379 4.616 -7.837 1.00 0.00 O ATOM 1034 CB THR A 72 72.680 7.619 -6.288 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.398 8.170 -6.557 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.763 8.637 -6.649 1.00 0.00 C ATOM 0 H THR A 72 72.313 7.553 -8.795 1.00 0.00 H new ATOM 0 HA THR A 72 73.750 5.787 -6.806 1.00 0.00 H new ATOM 0 HB THR A 72 72.755 7.374 -5.228 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.272 8.982 -6.023 1.00 0.00 H new ATOM 0 HG21 THR A 72 73.626 9.541 -6.055 1.00 0.00 H new ATOM 0 HG22 THR A 72 74.745 8.212 -6.442 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.691 8.885 -7.708 1.00 0.00 H new ATOM 1044 N ILE A 73 70.963 5.511 -5.877 1.00 0.00 N ATOM 1045 CA ILE A 73 69.779 4.628 -5.674 1.00 0.00 C ATOM 1046 C ILE A 73 68.513 5.473 -5.516 1.00 0.00 C ATOM 1047 O ILE A 73 68.577 6.668 -5.304 1.00 0.00 O ATOM 1048 CB ILE A 73 70.080 3.855 -4.388 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.851 3.038 -3.983 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.429 4.839 -3.269 1.00 0.00 C ATOM 1051 CD1 ILE A 73 68.545 2.001 -5.064 1.00 0.00 C ATOM 0 H ILE A 73 71.155 6.161 -5.115 1.00 0.00 H new ATOM 0 HA ILE A 73 69.608 3.960 -6.518 1.00 0.00 H new ATOM 0 HB ILE A 73 70.922 3.185 -4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 73 69.030 2.542 -3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 73 67.994 3.697 -3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.643 4.288 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 73 71.305 5.420 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.587 5.511 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 73 67.669 1.420 -4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 73 68.347 2.508 -6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 73 69.400 1.335 -5.181 1.00 0.00 H new ATOM 1063 N ASP A 74 67.363 4.866 -5.617 1.00 0.00 N ATOM 1064 CA ASP A 74 66.096 5.640 -5.473 1.00 0.00 C ATOM 1065 C ASP A 74 65.313 5.145 -4.255 1.00 0.00 C ATOM 1066 O ASP A 74 65.407 3.997 -3.870 1.00 0.00 O ATOM 1067 CB ASP A 74 65.316 5.371 -6.760 1.00 0.00 C ATOM 1068 CG ASP A 74 64.950 6.701 -7.423 1.00 0.00 C ATOM 1069 OD1 ASP A 74 64.674 7.644 -6.701 1.00 0.00 O ATOM 1070 OD2 ASP A 74 64.954 6.753 -8.642 1.00 0.00 O ATOM 0 H ASP A 74 67.245 3.868 -5.793 1.00 0.00 H new ATOM 0 HA ASP A 74 66.276 6.705 -5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.915 4.766 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.413 4.802 -6.538 1.00 0.00 H new ATOM 1075 N PHE A 75 64.541 6.001 -3.644 1.00 0.00 N ATOM 1076 CA PHE A 75 63.753 5.573 -2.452 1.00 0.00 C ATOM 1077 C PHE A 75 62.827 4.412 -2.822 1.00 0.00 C ATOM 1078 O PHE A 75 62.856 3.363 -2.210 1.00 0.00 O ATOM 1079 CB PHE A 75 62.939 6.802 -2.050 1.00 0.00 C ATOM 1080 CG PHE A 75 62.413 6.619 -0.647 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.276 5.833 -0.424 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.061 7.233 0.430 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.788 5.663 0.878 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.574 7.063 1.731 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.437 6.277 1.955 1.00 0.00 C ATOM 0 H PHE A 75 64.421 6.976 -3.917 1.00 0.00 H new ATOM 0 HA PHE A 75 64.390 5.225 -1.639 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.560 7.696 -2.103 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.111 6.947 -2.744 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.776 5.358 -1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.938 7.839 0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.910 5.058 1.051 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.075 7.538 2.562 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.061 6.145 2.959 1.00 0.00 H new ATOM 1095 N GLU A 76 62.005 4.592 -3.819 1.00 0.00 N ATOM 1096 CA GLU A 76 61.078 3.496 -4.228 1.00 0.00 C ATOM 1097 C GLU A 76 61.868 2.215 -4.504 1.00 0.00 C ATOM 1098 O GLU A 76 61.467 1.132 -4.127 1.00 0.00 O ATOM 1099 CB GLU A 76 60.402 4.000 -5.503 1.00 0.00 C ATOM 1100 CG GLU A 76 61.467 4.434 -6.514 1.00 0.00 C ATOM 1101 CD GLU A 76 60.941 5.614 -7.334 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.320 5.371 -8.355 1.00 0.00 O ATOM 1103 OE2 GLU A 76 61.170 6.741 -6.928 1.00 0.00 O ATOM 0 H GLU A 76 61.934 5.449 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 76 60.350 3.258 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 76 59.779 3.215 -5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.744 4.838 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.383 4.718 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 76 61.718 3.603 -7.173 1.00 0.00 H new ATOM 1110 N GLU A 77 62.991 2.331 -5.159 1.00 0.00 N ATOM 1111 CA GLU A 77 63.810 1.122 -5.458 1.00 0.00 C ATOM 1112 C GLU A 77 64.605 0.706 -4.218 1.00 0.00 C ATOM 1113 O GLU A 77 64.863 -0.459 -3.996 1.00 0.00 O ATOM 1114 CB GLU A 77 64.751 1.552 -6.583 1.00 0.00 C ATOM 1115 CG GLU A 77 65.232 0.318 -7.348 1.00 0.00 C ATOM 1116 CD GLU A 77 64.186 -0.072 -8.393 1.00 0.00 C ATOM 1117 OE1 GLU A 77 63.518 0.818 -8.895 1.00 0.00 O ATOM 1118 OE2 GLU A 77 64.072 -1.253 -8.676 1.00 0.00 O ATOM 0 H GLU A 77 63.377 3.211 -5.500 1.00 0.00 H new ATOM 0 HA GLU A 77 63.199 0.266 -5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.237 2.235 -7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.603 2.093 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.186 0.526 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.399 -0.509 -6.658 1.00 0.00 H new ATOM 1125 N PHE A 78 64.993 1.653 -3.408 1.00 0.00 N ATOM 1126 CA PHE A 78 65.769 1.316 -2.181 1.00 0.00 C ATOM 1127 C PHE A 78 64.876 0.574 -1.184 1.00 0.00 C ATOM 1128 O PHE A 78 65.333 -0.265 -0.432 1.00 0.00 O ATOM 1129 CB PHE A 78 66.215 2.666 -1.614 1.00 0.00 C ATOM 1130 CG PHE A 78 66.596 2.516 -0.159 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.788 1.869 0.192 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.756 3.026 0.839 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.139 1.735 1.541 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.107 2.890 2.187 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.299 2.245 2.538 1.00 0.00 C ATOM 0 H PHE A 78 64.806 2.647 -3.543 1.00 0.00 H new ATOM 0 HA PHE A 78 66.618 0.665 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.063 3.046 -2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.411 3.395 -1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.435 1.474 -0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.837 3.524 0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.059 1.238 1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.458 3.283 2.956 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.571 2.141 3.578 1.00 0.00 H new ATOM 1145 N LEU A 79 63.606 0.876 -1.171 1.00 0.00 N ATOM 1146 CA LEU A 79 62.689 0.185 -0.222 1.00 0.00 C ATOM 1147 C LEU A 79 62.999 -1.312 -0.195 1.00 0.00 C ATOM 1148 O LEU A 79 62.806 -1.980 0.801 1.00 0.00 O ATOM 1149 CB LEU A 79 61.284 0.437 -0.771 1.00 0.00 C ATOM 1150 CG LEU A 79 60.574 1.465 0.112 1.00 0.00 C ATOM 1151 CD1 LEU A 79 61.340 2.787 0.074 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.153 1.687 -0.409 1.00 0.00 C ATOM 0 H LEU A 79 63.165 1.570 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 79 62.794 0.551 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.342 0.800 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.717 -0.494 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 79 60.534 1.097 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 79 60.834 3.519 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 79 62.354 2.631 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 79 61.380 3.155 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 79 58.645 2.419 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.195 2.055 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 79 58.605 0.745 -0.384 1.00 0.00 H new ATOM 1164 N VAL A 80 63.488 -1.843 -1.283 1.00 0.00 N ATOM 1165 CA VAL A 80 63.821 -3.294 -1.320 1.00 0.00 C ATOM 1166 C VAL A 80 64.996 -3.575 -0.382 1.00 0.00 C ATOM 1167 O VAL A 80 65.042 -4.588 0.289 1.00 0.00 O ATOM 1168 CB VAL A 80 64.210 -3.579 -2.772 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.176 -2.960 -3.715 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.587 -2.974 -3.060 1.00 0.00 C ATOM 0 H VAL A 80 63.671 -1.334 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 80 62.991 -3.922 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 80 64.244 -4.657 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.457 -3.165 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.195 -3.391 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.138 -1.882 -3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.864 -3.177 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.552 -1.897 -2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.326 -3.417 -2.393 1.00 0.00 H new ATOM 1180 N MET A 81 65.945 -2.681 -0.328 1.00 0.00 N ATOM 1181 CA MET A 81 67.118 -2.889 0.568 1.00 0.00 C ATOM 1182 C MET A 81 66.675 -2.824 2.032 1.00 0.00 C ATOM 1183 O MET A 81 67.383 -3.247 2.924 1.00 0.00 O ATOM 1184 CB MET A 81 68.073 -1.740 0.239 1.00 0.00 C ATOM 1185 CG MET A 81 68.603 -1.908 -1.187 1.00 0.00 C ATOM 1186 SD MET A 81 69.396 -3.526 -1.350 1.00 0.00 S ATOM 1187 CE MET A 81 69.339 -3.625 -3.156 1.00 0.00 C ATOM 0 H MET A 81 65.959 -1.815 -0.866 1.00 0.00 H new ATOM 0 HA MET A 81 67.589 -3.861 0.422 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.557 -0.785 0.336 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.902 -1.728 0.947 1.00 0.00 H new ATOM 0 HG2 MET A 81 67.786 -1.818 -1.903 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.317 -1.117 -1.417 1.00 0.00 H new ATOM 0 HE1 MET A 81 70.131 -4.285 -3.509 1.00 0.00 H new ATOM 0 HE2 MET A 81 68.372 -4.019 -3.468 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.480 -2.631 -3.580 1.00 0.00 H new ATOM 1197 N MET A 82 65.507 -2.301 2.283 1.00 0.00 N ATOM 1198 CA MET A 82 65.014 -2.213 3.688 1.00 0.00 C ATOM 1199 C MET A 82 64.355 -3.534 4.093 1.00 0.00 C ATOM 1200 O MET A 82 64.687 -4.120 5.104 1.00 0.00 O ATOM 1201 CB MET A 82 63.985 -1.081 3.680 1.00 0.00 C ATOM 1202 CG MET A 82 64.524 0.098 2.865 1.00 0.00 C ATOM 1203 SD MET A 82 63.632 1.605 3.323 1.00 0.00 S ATOM 1204 CE MET A 82 64.635 2.029 4.767 1.00 0.00 C ATOM 0 H MET A 82 64.872 -1.930 1.576 1.00 0.00 H new ATOM 0 HA MET A 82 65.818 -2.024 4.399 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.046 -1.433 3.252 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.771 -0.763 4.700 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.591 0.224 3.049 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.405 -0.098 1.799 1.00 0.00 H new ATOM 0 HE1 MET A 82 64.750 3.111 4.825 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.144 1.667 5.670 1.00 0.00 H new ATOM 0 HE3 MET A 82 65.617 1.564 4.677 1.00 0.00 H new ATOM 1214 N VAL A 83 63.426 -4.008 3.309 1.00 0.00 N ATOM 1215 CA VAL A 83 62.751 -5.294 3.648 1.00 0.00 C ATOM 1216 C VAL A 83 63.694 -6.466 3.368 1.00 0.00 C ATOM 1217 O VAL A 83 63.810 -7.383 4.155 1.00 0.00 O ATOM 1218 CB VAL A 83 61.520 -5.356 2.736 1.00 0.00 C ATOM 1219 CG1 VAL A 83 60.842 -3.985 2.698 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.945 -5.751 1.318 1.00 0.00 C ATOM 0 H VAL A 83 63.105 -3.562 2.450 1.00 0.00 H new ATOM 0 HA VAL A 83 62.473 -5.352 4.700 1.00 0.00 H new ATOM 0 HB VAL A 83 60.823 -6.098 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 83 59.967 -4.030 2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 83 60.533 -3.704 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 83 61.542 -3.244 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 83 61.067 -5.794 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 83 62.645 -5.012 0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.426 -6.729 1.341 1.00 0.00 H new ATOM 1230 N ARG A 84 64.371 -6.439 2.254 1.00 0.00 N ATOM 1231 CA ARG A 84 65.309 -7.550 1.927 1.00 0.00 C ATOM 1232 C ARG A 84 66.334 -7.708 3.053 1.00 0.00 C ATOM 1233 O ARG A 84 66.733 -8.804 3.393 1.00 0.00 O ATOM 1234 CB ARG A 84 65.990 -7.122 0.627 1.00 0.00 C ATOM 1235 CG ARG A 84 64.946 -7.039 -0.489 1.00 0.00 C ATOM 1236 CD ARG A 84 64.825 -8.399 -1.178 1.00 0.00 C ATOM 1237 NE ARG A 84 63.450 -8.418 -1.752 1.00 0.00 N ATOM 1238 CZ ARG A 84 62.553 -9.232 -1.267 1.00 0.00 C ATOM 1239 NH1 ARG A 84 62.692 -10.522 -1.416 1.00 0.00 N ATOM 1240 NH2 ARG A 84 61.515 -8.757 -0.635 1.00 0.00 N ATOM 0 H ARG A 84 64.316 -5.697 1.556 1.00 0.00 H new ATOM 0 HA ARG A 84 64.804 -8.510 1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.475 -6.155 0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.769 -7.836 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.982 -6.741 -0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.233 -6.277 -1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.579 -8.516 -1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 84 64.969 -9.215 -0.470 1.00 0.00 H new ATOM 0 HE ARG A 84 63.210 -7.795 -2.523 1.00 0.00 H new ATOM 0 HH11 ARG A 84 63.502 -10.894 -1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 84 61.990 -11.158 -1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 84 61.405 -7.749 -0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 84 60.814 -9.393 -0.256 1.00 0.00 H new ATOM 1254 N GLN A 85 66.755 -6.621 3.639 1.00 0.00 N ATOM 1255 CA GLN A 85 67.745 -6.706 4.748 1.00 0.00 C ATOM 1256 C GLN A 85 67.036 -7.103 6.043 1.00 0.00 C ATOM 1257 O GLN A 85 67.403 -8.060 6.698 1.00 0.00 O ATOM 1258 CB GLN A 85 68.329 -5.298 4.868 1.00 0.00 C ATOM 1259 CG GLN A 85 69.566 -5.331 5.768 1.00 0.00 C ATOM 1260 CD GLN A 85 70.495 -6.461 5.325 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.379 -6.256 4.518 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.331 -7.657 5.825 1.00 0.00 N ATOM 0 H GLN A 85 66.455 -5.677 3.397 1.00 0.00 H new ATOM 0 HA GLN A 85 68.519 -7.450 4.561 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.595 -4.918 3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.584 -4.618 5.281 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.089 -4.376 5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.268 -5.478 6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 85 69.588 -7.829 6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 85 70.946 -8.419 5.538 1.00 0.00 H new ATOM 1271 N MET A 86 66.015 -6.379 6.416 1.00 0.00 N ATOM 1272 CA MET A 86 65.277 -6.718 7.665 1.00 0.00 C ATOM 1273 C MET A 86 64.551 -8.053 7.494 1.00 0.00 C ATOM 1274 O MET A 86 64.249 -8.732 8.454 1.00 0.00 O ATOM 1275 CB MET A 86 64.275 -5.581 7.861 1.00 0.00 C ATOM 1276 CG MET A 86 64.593 -4.845 9.163 1.00 0.00 C ATOM 1277 SD MET A 86 63.211 -5.035 10.317 1.00 0.00 S ATOM 1278 CE MET A 86 63.170 -3.325 10.906 1.00 0.00 C ATOM 0 H MET A 86 65.661 -5.568 5.909 1.00 0.00 H new ATOM 0 HA MET A 86 65.940 -6.821 8.524 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.322 -4.891 7.019 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.260 -5.977 7.892 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.507 -5.243 9.604 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.770 -3.788 8.962 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.374 -3.213 11.642 1.00 0.00 H new ATOM 0 HE2 MET A 86 64.127 -3.075 11.365 1.00 0.00 H new ATOM 0 HE3 MET A 86 62.984 -2.655 10.066 1.00 0.00 H new ATOM 1288 N LYS A 87 64.273 -8.436 6.279 1.00 0.00 N ATOM 1289 CA LYS A 87 63.574 -9.730 6.055 1.00 0.00 C ATOM 1290 C LYS A 87 64.270 -10.830 6.855 1.00 0.00 C ATOM 1291 O LYS A 87 63.673 -11.822 7.222 1.00 0.00 O ATOM 1292 CB LYS A 87 63.696 -9.988 4.551 1.00 0.00 C ATOM 1293 CG LYS A 87 62.380 -9.620 3.864 1.00 0.00 C ATOM 1294 CD LYS A 87 61.889 -10.805 3.031 1.00 0.00 C ATOM 1295 CE LYS A 87 60.540 -11.285 3.569 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.547 -10.307 3.044 1.00 0.00 N ATOM 0 H LYS A 87 64.499 -7.910 5.435 1.00 0.00 H new ATOM 0 HA LYS A 87 62.532 -9.711 6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.513 -9.399 4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.933 -11.036 4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.631 -9.351 4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.522 -8.748 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.792 -10.512 1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 87 62.617 -11.616 3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 87 60.316 -12.296 3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.535 -11.307 4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 58.595 -10.723 3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.573 -9.442 3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.779 -10.072 2.058 1.00 0.00 H new ATOM 1310 N GLU A 88 65.532 -10.652 7.138 1.00 0.00 N ATOM 1311 CA GLU A 88 66.275 -11.675 7.927 1.00 0.00 C ATOM 1312 C GLU A 88 66.350 -11.240 9.395 1.00 0.00 C ATOM 1313 O GLU A 88 66.324 -12.055 10.295 1.00 0.00 O ATOM 1314 CB GLU A 88 67.671 -11.720 7.306 1.00 0.00 C ATOM 1315 CG GLU A 88 67.662 -12.660 6.098 1.00 0.00 C ATOM 1316 CD GLU A 88 67.540 -14.108 6.576 1.00 0.00 C ATOM 1317 OE1 GLU A 88 68.547 -14.662 6.987 1.00 0.00 O ATOM 1318 OE2 GLU A 88 66.443 -14.638 6.523 1.00 0.00 O ATOM 0 H GLU A 88 66.081 -9.840 6.856 1.00 0.00 H new ATOM 0 HA GLU A 88 65.793 -12.652 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.977 -10.720 7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.397 -12.064 8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 88 66.830 -12.413 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 88 68.577 -12.533 5.519 1.00 0.00 H new ATOM 1325 N ASP A 89 66.441 -9.960 9.640 1.00 0.00 N ATOM 1326 CA ASP A 89 66.513 -9.472 11.046 1.00 0.00 C ATOM 1327 C ASP A 89 65.107 -9.392 11.648 1.00 0.00 C ATOM 1328 O ASP A 89 64.927 -9.482 12.847 1.00 0.00 O ATOM 1329 CB ASP A 89 67.133 -8.078 10.952 1.00 0.00 C ATOM 1330 CG ASP A 89 68.567 -8.189 10.430 1.00 0.00 C ATOM 1331 OD1 ASP A 89 69.174 -9.226 10.640 1.00 0.00 O ATOM 1332 OD2 ASP A 89 69.034 -7.235 9.829 1.00 0.00 O ATOM 0 H ASP A 89 66.469 -9.232 8.926 1.00 0.00 H new ATOM 0 HA ASP A 89 67.097 -10.135 11.684 1.00 0.00 H new ATOM 0 HB2 ASP A 89 66.541 -7.449 10.287 1.00 0.00 H new ATOM 0 HB3 ASP A 89 67.128 -7.600 11.931 1.00 0.00 H new ATOM 1337 N ALA A 90 64.110 -9.224 10.824 1.00 0.00 N ATOM 1338 CA ALA A 90 62.716 -9.138 11.344 1.00 0.00 C ATOM 1339 C ALA A 90 62.227 -10.521 11.780 1.00 0.00 C ATOM 1340 O ALA A 90 62.158 -10.754 12.976 1.00 0.00 O ATOM 1341 CB ALA A 90 61.885 -8.622 10.167 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.929 -11.324 10.911 1.00 0.00 O ATOM 0 H ALA A 90 64.200 -9.142 9.811 1.00 0.00 H new ATOM 0 HA ALA A 90 62.640 -8.486 12.214 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.842 -8.531 10.470 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.259 -7.646 9.857 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.961 -9.321 9.334 1.00 0.00 H new TER 1348 ALA A 90