USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 687 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 8 SER OG : rot 130:sc= 0.246 USER MOD Set 1.2: A 10 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0697 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 1.12 K(o=1.1,f=-2!) USER MOD Single : A 24 SER OG : rot 68:sc= 0.678 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.889 X(o=-0.89,f=-1.2) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.494 K(o=-0.49,f=-4.2!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.038 USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0144) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 1.21 K(o=1.2,f=-0.048) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.904 -3.266 -3.869 1.00 0.00 N ATOM 2 CA GLY A 1 -2.902 -4.006 -3.064 1.00 0.00 C ATOM 3 C GLY A 1 -1.503 -3.408 -3.178 1.00 0.00 C ATOM 4 O GLY A 1 -1.294 -2.400 -3.858 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.602 -2.827 -3.236 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.427 -2.527 -4.423 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.387 -3.925 -4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.209 -4.006 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.876 -5.046 -3.389 1.00 0.00 H new ATOM 10 N SER A 2 -0.530 -4.028 -2.502 1.00 0.00 N ATOM 11 CA SER A 2 0.881 -3.591 -2.461 1.00 0.00 C ATOM 12 C SER A 2 1.599 -3.692 -3.819 1.00 0.00 C ATOM 13 O SER A 2 1.207 -4.466 -4.696 1.00 0.00 O ATOM 14 CB SER A 2 1.653 -4.402 -1.409 1.00 0.00 C ATOM 15 OG SER A 2 1.038 -4.283 -0.134 1.00 0.00 O ATOM 0 H SER A 2 -0.700 -4.870 -1.952 1.00 0.00 H new ATOM 0 HA SER A 2 0.864 -2.534 -2.193 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.689 -5.450 -1.705 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.683 -4.051 -1.356 1.00 0.00 H new ATOM 0 HG SER A 2 1.542 -4.807 0.523 1.00 0.00 H new ATOM 21 N GLU A 3 2.680 -2.921 -3.980 1.00 0.00 N ATOM 22 CA GLU A 3 3.502 -2.854 -5.202 1.00 0.00 C ATOM 23 C GLU A 3 5.012 -2.740 -4.907 1.00 0.00 C ATOM 24 O GLU A 3 5.426 -2.223 -3.864 1.00 0.00 O ATOM 25 CB GLU A 3 3.073 -1.660 -6.076 1.00 0.00 C ATOM 26 CG GLU A 3 1.717 -1.846 -6.771 1.00 0.00 C ATOM 27 CD GLU A 3 1.441 -0.691 -7.751 1.00 0.00 C ATOM 28 OE1 GLU A 3 2.186 -0.553 -8.754 1.00 0.00 O ATOM 29 OE2 GLU A 3 0.493 0.101 -7.525 1.00 0.00 O ATOM 0 H GLU A 3 3.021 -2.305 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 3 3.335 -3.792 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.031 -0.766 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.837 -1.486 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.706 -2.795 -7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.924 -1.893 -6.024 1.00 0.00 H new ATOM 36 N THR A 4 5.832 -3.181 -5.869 1.00 0.00 N ATOM 37 CA THR A 4 7.308 -3.076 -5.874 1.00 0.00 C ATOM 38 C THR A 4 7.769 -2.025 -6.901 1.00 0.00 C ATOM 39 O THR A 4 7.039 -1.717 -7.847 1.00 0.00 O ATOM 40 CB THR A 4 7.939 -4.465 -6.126 1.00 0.00 C ATOM 41 OG1 THR A 4 7.425 -5.400 -5.195 1.00 0.00 O ATOM 42 CG2 THR A 4 9.461 -4.510 -5.966 1.00 0.00 C ATOM 0 H THR A 4 5.475 -3.643 -6.706 1.00 0.00 H new ATOM 0 HA THR A 4 7.651 -2.737 -4.897 1.00 0.00 H new ATOM 0 HB THR A 4 7.689 -4.698 -7.161 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.826 -6.279 -5.359 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.818 -5.521 -6.161 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.922 -3.820 -6.673 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.729 -4.221 -4.950 1.00 0.00 H new ATOM 50 N ARG A 5 8.974 -1.465 -6.728 1.00 0.00 N ATOM 51 CA ARG A 5 9.651 -0.486 -7.607 1.00 0.00 C ATOM 52 C ARG A 5 11.167 -0.741 -7.616 1.00 0.00 C ATOM 53 O ARG A 5 11.679 -1.465 -6.760 1.00 0.00 O ATOM 54 CB ARG A 5 9.339 0.957 -7.142 1.00 0.00 C ATOM 55 CG ARG A 5 7.881 1.407 -7.344 1.00 0.00 C ATOM 56 CD ARG A 5 7.460 1.337 -8.818 1.00 0.00 C ATOM 57 NE ARG A 5 6.090 1.848 -9.026 1.00 0.00 N ATOM 58 CZ ARG A 5 4.972 1.142 -9.054 1.00 0.00 C ATOM 59 NH1 ARG A 5 4.931 -0.141 -8.873 1.00 0.00 N ATOM 60 NH2 ARG A 5 3.815 1.695 -9.259 1.00 0.00 N ATOM 0 H ARG A 5 9.546 -1.696 -5.916 1.00 0.00 H new ATOM 0 HA ARG A 5 9.277 -0.606 -8.624 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.586 1.043 -6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.993 1.644 -7.679 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.221 0.777 -6.747 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.762 2.428 -6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.159 1.915 -9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.518 0.305 -9.163 1.00 0.00 H new ATOM 0 HE ARG A 5 5.996 2.854 -9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 5 5.792 -0.659 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.038 -0.632 -8.906 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.750 2.702 -9.404 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.971 1.122 -9.275 1.00 0.00 H new ATOM 74 N THR A 6 11.881 -0.156 -8.579 1.00 0.00 N ATOM 75 CA THR A 6 13.321 -0.391 -8.813 1.00 0.00 C ATOM 76 C THR A 6 14.148 0.842 -8.438 1.00 0.00 C ATOM 77 O THR A 6 14.201 1.830 -9.175 1.00 0.00 O ATOM 78 CB THR A 6 13.587 -0.803 -10.272 1.00 0.00 C ATOM 79 OG1 THR A 6 12.723 -1.850 -10.672 1.00 0.00 O ATOM 80 CG2 THR A 6 15.019 -1.294 -10.494 1.00 0.00 C ATOM 0 H THR A 6 11.473 0.509 -9.236 1.00 0.00 H new ATOM 0 HA THR A 6 13.630 -1.214 -8.169 1.00 0.00 H new ATOM 0 HB THR A 6 13.414 0.097 -10.862 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.911 -2.092 -11.603 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.151 -1.571 -11.540 1.00 0.00 H new ATOM 0 HG22 THR A 6 15.720 -0.499 -10.238 1.00 0.00 H new ATOM 0 HG23 THR A 6 15.208 -2.162 -9.862 1.00 0.00 H new ATOM 88 N ILE A 7 14.800 0.780 -7.276 1.00 0.00 N ATOM 89 CA ILE A 7 15.712 1.812 -6.747 1.00 0.00 C ATOM 90 C ILE A 7 17.058 1.804 -7.512 1.00 0.00 C ATOM 91 O ILE A 7 17.411 0.818 -8.165 1.00 0.00 O ATOM 92 CB ILE A 7 15.852 1.624 -5.210 1.00 0.00 C ATOM 93 CG1 ILE A 7 14.478 1.650 -4.489 1.00 0.00 C ATOM 94 CG2 ILE A 7 16.783 2.647 -4.530 1.00 0.00 C ATOM 95 CD1 ILE A 7 13.652 2.935 -4.658 1.00 0.00 C ATOM 0 H ILE A 7 14.708 -0.019 -6.648 1.00 0.00 H new ATOM 0 HA ILE A 7 15.300 2.808 -6.911 1.00 0.00 H new ATOM 0 HB ILE A 7 16.308 0.639 -5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.885 0.810 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 7 14.646 1.487 -3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 7 16.825 2.445 -3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.784 2.566 -4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 7 16.399 3.654 -4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.714 2.839 -4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.214 3.783 -4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.441 3.096 -5.715 1.00 0.00 H new ATOM 107 N SER A 8 17.812 2.908 -7.429 1.00 0.00 N ATOM 108 CA SER A 8 19.143 3.069 -8.041 1.00 0.00 C ATOM 109 C SER A 8 20.259 3.160 -6.992 1.00 0.00 C ATOM 110 O SER A 8 20.110 3.812 -5.957 1.00 0.00 O ATOM 111 CB SER A 8 19.165 4.296 -8.962 1.00 0.00 C ATOM 112 OG SER A 8 20.454 4.466 -9.536 1.00 0.00 O ATOM 0 H SER A 8 17.507 3.738 -6.921 1.00 0.00 H new ATOM 0 HA SER A 8 19.335 2.176 -8.635 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.422 4.179 -9.751 1.00 0.00 H new ATOM 0 HB3 SER A 8 18.892 5.187 -8.397 1.00 0.00 H new ATOM 0 HG SER A 8 20.368 4.577 -10.506 1.00 0.00 H new ATOM 118 N SER A 9 21.405 2.547 -7.302 1.00 0.00 N ATOM 119 CA SER A 9 22.680 2.660 -6.577 1.00 0.00 C ATOM 120 C SER A 9 23.818 3.031 -7.544 1.00 0.00 C ATOM 121 O SER A 9 24.978 2.675 -7.331 1.00 0.00 O ATOM 122 CB SER A 9 23.000 1.352 -5.847 1.00 0.00 C ATOM 123 OG SER A 9 21.900 0.867 -5.088 1.00 0.00 O ATOM 0 H SER A 9 21.475 1.925 -8.107 1.00 0.00 H new ATOM 0 HA SER A 9 22.586 3.453 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 9 23.296 0.597 -6.575 1.00 0.00 H new ATOM 0 HB3 SER A 9 23.852 1.508 -5.186 1.00 0.00 H new ATOM 0 HG SER A 9 22.153 0.031 -4.643 1.00 0.00 H new ATOM 129 N THR A 10 23.474 3.711 -8.646 1.00 0.00 N ATOM 130 CA THR A 10 24.367 4.039 -9.772 1.00 0.00 C ATOM 131 C THR A 10 24.138 5.492 -10.192 1.00 0.00 C ATOM 132 O THR A 10 24.936 6.358 -9.847 1.00 0.00 O ATOM 133 CB THR A 10 24.160 3.068 -10.953 1.00 0.00 C ATOM 134 OG1 THR A 10 22.783 2.945 -11.259 1.00 0.00 O ATOM 135 CG2 THR A 10 24.677 1.664 -10.648 1.00 0.00 C ATOM 0 H THR A 10 22.527 4.063 -8.786 1.00 0.00 H new ATOM 0 HA THR A 10 25.402 3.925 -9.451 1.00 0.00 H new ATOM 0 HB THR A 10 24.718 3.489 -11.789 1.00 0.00 H new ATOM 0 HG1 THR A 10 22.669 2.327 -12.011 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.508 1.019 -11.510 1.00 0.00 H new ATOM 0 HG22 THR A 10 25.744 1.708 -10.432 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.148 1.261 -9.784 1.00 0.00 H new ATOM 143 N ALA A 11 22.989 5.788 -10.809 1.00 0.00 N ATOM 144 CA ALA A 11 22.547 7.137 -11.169 1.00 0.00 C ATOM 145 C ALA A 11 22.222 7.987 -9.926 1.00 0.00 C ATOM 146 O ALA A 11 22.662 9.131 -9.824 1.00 0.00 O ATOM 147 CB ALA A 11 21.345 7.010 -12.114 1.00 0.00 C ATOM 0 H ALA A 11 22.319 5.069 -11.080 1.00 0.00 H new ATOM 0 HA ALA A 11 23.354 7.664 -11.678 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.998 8.004 -12.396 1.00 0.00 H new ATOM 0 HB2 ALA A 11 21.641 6.462 -13.008 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.541 6.474 -11.610 1.00 0.00 H new ATOM 153 N GLN A 12 21.522 7.408 -8.940 1.00 0.00 N ATOM 154 CA GLN A 12 21.257 8.067 -7.650 1.00 0.00 C ATOM 155 C GLN A 12 22.510 8.126 -6.750 1.00 0.00 C ATOM 156 O GLN A 12 22.636 9.030 -5.929 1.00 0.00 O ATOM 157 CB GLN A 12 20.058 7.373 -6.980 1.00 0.00 C ATOM 158 CG GLN A 12 19.651 7.940 -5.609 1.00 0.00 C ATOM 159 CD GLN A 12 19.439 9.455 -5.582 1.00 0.00 C ATOM 160 OE1 GLN A 12 18.824 10.058 -6.453 1.00 0.00 O ATOM 161 NE2 GLN A 12 19.935 10.125 -4.566 1.00 0.00 N ATOM 0 H GLN A 12 21.124 6.472 -9.012 1.00 0.00 H new ATOM 0 HA GLN A 12 20.999 9.112 -7.823 1.00 0.00 H new ATOM 0 HB2 GLN A 12 19.201 7.438 -7.650 1.00 0.00 H new ATOM 0 HB3 GLN A 12 20.291 6.315 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.731 7.452 -5.288 1.00 0.00 H new ATOM 0 HG3 GLN A 12 20.420 7.681 -4.881 1.00 0.00 H new ATOM 0 HE21 GLN A 12 20.449 9.635 -3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 12 19.806 11.135 -4.509 1.00 0.00 H new ATOM 170 N GLU A 13 23.473 7.213 -6.922 1.00 0.00 N ATOM 171 CA GLU A 13 24.751 7.266 -6.195 1.00 0.00 C ATOM 172 C GLU A 13 25.676 8.375 -6.740 1.00 0.00 C ATOM 173 O GLU A 13 26.183 9.180 -5.965 1.00 0.00 O ATOM 174 CB GLU A 13 25.388 5.863 -6.198 1.00 0.00 C ATOM 175 CG GLU A 13 26.761 5.772 -5.510 1.00 0.00 C ATOM 176 CD GLU A 13 26.740 6.052 -3.990 1.00 0.00 C ATOM 177 OE1 GLU A 13 25.664 5.983 -3.346 1.00 0.00 O ATOM 178 OE2 GLU A 13 27.826 6.306 -3.414 1.00 0.00 O ATOM 0 H GLU A 13 23.392 6.423 -7.562 1.00 0.00 H new ATOM 0 HA GLU A 13 24.575 7.545 -5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 13 24.705 5.169 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 13 25.493 5.530 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 13 27.171 4.776 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.439 6.480 -5.987 1.00 0.00 H new ATOM 185 N ARG A 14 25.862 8.470 -8.066 1.00 0.00 N ATOM 186 CA ARG A 14 26.820 9.421 -8.675 1.00 0.00 C ATOM 187 C ARG A 14 26.492 10.877 -8.345 1.00 0.00 C ATOM 188 O ARG A 14 27.412 11.642 -8.062 1.00 0.00 O ATOM 189 CB ARG A 14 27.026 9.225 -10.189 1.00 0.00 C ATOM 190 CG ARG A 14 25.785 9.405 -11.082 1.00 0.00 C ATOM 191 CD ARG A 14 26.107 10.059 -12.433 1.00 0.00 C ATOM 192 NE ARG A 14 26.033 11.536 -12.366 1.00 0.00 N ATOM 193 CZ ARG A 14 25.320 12.333 -13.139 1.00 0.00 C ATOM 194 NH1 ARG A 14 24.559 11.927 -14.113 1.00 0.00 N ATOM 195 NH2 ARG A 14 25.328 13.609 -12.961 1.00 0.00 N ATOM 0 H ARG A 14 25.360 7.898 -8.745 1.00 0.00 H new ATOM 0 HA ARG A 14 27.775 9.181 -8.208 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.791 9.927 -10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 14 27.421 8.222 -10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.325 8.432 -11.256 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.051 10.015 -10.555 1.00 0.00 H new ATOM 0 HD2 ARG A 14 27.106 9.760 -12.752 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.410 9.695 -13.187 1.00 0.00 H new ATOM 0 HE ARG A 14 26.594 11.987 -11.643 1.00 0.00 H new ATOM 0 HH11 ARG A 14 24.485 10.931 -14.321 1.00 0.00 H new ATOM 0 HH12 ARG A 14 24.036 12.604 -14.668 1.00 0.00 H new ATOM 0 HH21 ARG A 14 25.891 14.016 -12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.771 14.212 -13.567 1.00 0.00 H new ATOM 209 N VAL A 15 25.198 11.221 -8.275 1.00 0.00 N ATOM 210 CA VAL A 15 24.749 12.568 -7.880 1.00 0.00 C ATOM 211 C VAL A 15 25.172 12.943 -6.457 1.00 0.00 C ATOM 212 O VAL A 15 25.289 14.130 -6.161 1.00 0.00 O ATOM 213 CB VAL A 15 23.249 12.830 -8.107 1.00 0.00 C ATOM 214 CG1 VAL A 15 22.921 12.814 -9.602 1.00 0.00 C ATOM 215 CG2 VAL A 15 22.327 11.849 -7.387 1.00 0.00 C ATOM 0 H VAL A 15 24.435 10.579 -8.489 1.00 0.00 H new ATOM 0 HA VAL A 15 25.274 13.233 -8.565 1.00 0.00 H new ATOM 0 HB VAL A 15 23.062 13.815 -7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.856 13.001 -9.743 1.00 0.00 H new ATOM 0 HG12 VAL A 15 23.496 13.589 -10.109 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.177 11.841 -10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.288 12.103 -7.599 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.531 10.836 -7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.503 11.906 -6.313 1.00 0.00 H new ATOM 225 N ASP A 16 25.477 11.976 -5.585 1.00 0.00 N ATOM 226 CA ASP A 16 25.997 12.285 -4.243 1.00 0.00 C ATOM 227 C ASP A 16 27.422 12.880 -4.291 1.00 0.00 C ATOM 228 O ASP A 16 27.701 13.883 -3.634 1.00 0.00 O ATOM 229 CB ASP A 16 25.951 11.022 -3.374 1.00 0.00 C ATOM 230 CG ASP A 16 26.328 11.309 -1.913 1.00 0.00 C ATOM 231 OD1 ASP A 16 25.419 11.654 -1.122 1.00 0.00 O ATOM 232 OD2 ASP A 16 27.517 11.150 -1.547 1.00 0.00 O ATOM 0 H ASP A 16 25.375 10.980 -5.779 1.00 0.00 H new ATOM 0 HA ASP A 16 25.361 13.050 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 16 24.949 10.593 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.632 10.276 -3.784 1.00 0.00 H new ATOM 237 N LEU A 17 28.314 12.315 -5.114 1.00 0.00 N ATOM 238 CA LEU A 17 29.740 12.666 -5.131 1.00 0.00 C ATOM 239 C LEU A 17 29.959 14.077 -5.692 1.00 0.00 C ATOM 240 O LEU A 17 30.700 14.878 -5.127 1.00 0.00 O ATOM 241 CB LEU A 17 30.523 11.624 -5.961 1.00 0.00 C ATOM 242 CG LEU A 17 30.768 10.230 -5.345 1.00 0.00 C ATOM 243 CD1 LEU A 17 31.470 10.304 -3.988 1.00 0.00 C ATOM 244 CD2 LEU A 17 29.501 9.391 -5.195 1.00 0.00 C ATOM 0 H LEU A 17 28.065 11.595 -5.793 1.00 0.00 H new ATOM 0 HA LEU A 17 30.110 12.659 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.992 11.482 -6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.494 12.055 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 17 31.419 9.736 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 17 31.618 9.296 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 17 32.437 10.793 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 17 30.856 10.875 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 17 29.754 8.426 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.795 9.911 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 17 29.049 9.236 -6.175 1.00 0.00 H new ATOM 256 N GLU A 18 29.245 14.406 -6.765 1.00 0.00 N ATOM 257 CA GLU A 18 29.183 15.752 -7.347 1.00 0.00 C ATOM 258 C GLU A 18 28.511 16.778 -6.411 1.00 0.00 C ATOM 259 O GLU A 18 28.919 17.938 -6.397 1.00 0.00 O ATOM 260 CB GLU A 18 28.531 15.685 -8.741 1.00 0.00 C ATOM 261 CG GLU A 18 27.160 15.005 -8.742 1.00 0.00 C ATOM 262 CD GLU A 18 26.771 14.535 -10.160 1.00 0.00 C ATOM 263 OE1 GLU A 18 27.169 13.434 -10.607 1.00 0.00 O ATOM 264 OE2 GLU A 18 26.015 15.246 -10.850 1.00 0.00 O ATOM 0 H GLU A 18 28.676 13.727 -7.271 1.00 0.00 H new ATOM 0 HA GLU A 18 30.201 16.121 -7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.426 16.697 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.195 15.148 -9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.174 14.151 -8.064 1.00 0.00 H new ATOM 0 HG3 GLU A 18 26.407 15.698 -8.366 1.00 0.00 H new ATOM 271 N ALA A 19 27.572 16.373 -5.545 1.00 0.00 N ATOM 272 CA ALA A 19 27.036 17.247 -4.496 1.00 0.00 C ATOM 273 C ALA A 19 28.072 17.545 -3.392 1.00 0.00 C ATOM 274 O ALA A 19 28.188 18.690 -2.959 1.00 0.00 O ATOM 275 CB ALA A 19 25.742 16.625 -3.957 1.00 0.00 C ATOM 0 H ALA A 19 27.166 15.437 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 19 26.803 18.223 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.330 17.263 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 19 25.019 16.530 -4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 19 25.956 15.639 -3.545 1.00 0.00 H new ATOM 281 N VAL A 20 28.892 16.564 -2.993 1.00 0.00 N ATOM 282 CA VAL A 20 30.034 16.766 -2.066 1.00 0.00 C ATOM 283 C VAL A 20 31.136 17.618 -2.715 1.00 0.00 C ATOM 284 O VAL A 20 31.720 18.492 -2.068 1.00 0.00 O ATOM 285 CB VAL A 20 30.578 15.411 -1.561 1.00 0.00 C ATOM 286 CG1 VAL A 20 31.833 15.563 -0.690 1.00 0.00 C ATOM 287 CG2 VAL A 20 29.528 14.687 -0.707 1.00 0.00 C ATOM 0 H VAL A 20 28.788 15.597 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 20 29.673 17.319 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 20 30.824 14.843 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 20 32.171 14.579 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 20 32.622 16.044 -1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.599 16.174 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.933 13.735 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.270 15.305 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.635 14.506 -1.305 1.00 0.00 H new ATOM 297 N ARG A 21 31.366 17.450 -4.023 1.00 0.00 N ATOM 298 CA ARG A 21 32.258 18.317 -4.812 1.00 0.00 C ATOM 299 C ARG A 21 31.799 19.774 -4.766 1.00 0.00 C ATOM 300 O ARG A 21 32.606 20.643 -4.472 1.00 0.00 O ATOM 301 CB ARG A 21 32.395 17.745 -6.237 1.00 0.00 C ATOM 302 CG ARG A 21 33.535 18.373 -7.061 1.00 0.00 C ATOM 303 CD ARG A 21 33.112 19.524 -7.993 1.00 0.00 C ATOM 304 NE ARG A 21 32.077 19.166 -8.999 1.00 0.00 N ATOM 305 CZ ARG A 21 32.084 18.208 -9.914 1.00 0.00 C ATOM 306 NH1 ARG A 21 33.088 17.407 -10.113 1.00 0.00 N ATOM 307 NH2 ARG A 21 31.055 18.026 -10.678 1.00 0.00 N ATOM 0 H ARG A 21 30.937 16.704 -4.570 1.00 0.00 H new ATOM 0 HA ARG A 21 33.256 18.325 -4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 21 32.559 16.669 -6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 21 31.454 17.892 -6.768 1.00 0.00 H new ATOM 0 HG2 ARG A 21 34.297 18.743 -6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.000 17.592 -7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 21 32.737 20.346 -7.384 1.00 0.00 H new ATOM 0 HD3 ARG A 21 33.995 19.892 -8.516 1.00 0.00 H new ATOM 0 HE ARG A 21 31.237 19.744 -8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 21 33.932 17.497 -9.548 1.00 0.00 H new ATOM 0 HH12 ARG A 21 33.032 16.688 -10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 21 30.233 18.622 -10.577 1.00 0.00 H new ATOM 0 HH22 ARG A 21 31.066 17.287 -11.381 1.00 0.00 H new ATOM 321 N LEU A 22 30.506 20.059 -4.924 1.00 0.00 N ATOM 322 CA LEU A 22 29.952 21.408 -4.754 1.00 0.00 C ATOM 323 C LEU A 22 29.951 21.880 -3.308 1.00 0.00 C ATOM 324 O LEU A 22 30.261 23.040 -3.100 1.00 0.00 O ATOM 325 CB LEU A 22 28.572 21.566 -5.400 1.00 0.00 C ATOM 326 CG LEU A 22 28.685 22.048 -6.853 1.00 0.00 C ATOM 327 CD1 LEU A 22 29.101 20.933 -7.802 1.00 0.00 C ATOM 328 CD2 LEU A 22 27.344 22.604 -7.286 1.00 0.00 C ATOM 0 H LEU A 22 29.808 19.359 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 22 30.634 22.066 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 22 28.044 20.613 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 22 27.979 22.276 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 22 29.459 22.815 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 22 29.167 21.325 -8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 22 30.073 20.542 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 22 28.362 20.133 -7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 22 27.410 22.951 -8.317 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.586 21.824 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.070 23.438 -6.640 1.00 0.00 H new ATOM 340 N ALA A 23 29.721 21.035 -2.305 1.00 0.00 N ATOM 341 CA ALA A 23 29.942 21.441 -0.912 1.00 0.00 C ATOM 342 C ALA A 23 31.396 21.932 -0.712 1.00 0.00 C ATOM 343 O ALA A 23 31.635 22.926 -0.026 1.00 0.00 O ATOM 344 CB ALA A 23 29.556 20.270 -0.007 1.00 0.00 C ATOM 0 H ALA A 23 29.387 20.079 -2.424 1.00 0.00 H new ATOM 0 HA ALA A 23 29.313 22.290 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 23 29.712 20.549 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 23 28.506 20.021 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 23 30.174 19.405 -0.248 1.00 0.00 H new ATOM 350 N SER A 24 32.346 21.317 -1.427 1.00 0.00 N ATOM 351 CA SER A 24 33.744 21.764 -1.480 1.00 0.00 C ATOM 352 C SER A 24 33.923 23.086 -2.253 1.00 0.00 C ATOM 353 O SER A 24 34.688 23.936 -1.793 1.00 0.00 O ATOM 354 CB SER A 24 34.665 20.664 -2.037 1.00 0.00 C ATOM 355 OG SER A 24 34.422 19.405 -1.419 1.00 0.00 O ATOM 0 H SER A 24 32.164 20.487 -1.991 1.00 0.00 H new ATOM 0 HA SER A 24 34.039 21.965 -0.450 1.00 0.00 H new ATOM 0 HB2 SER A 24 34.515 20.575 -3.113 1.00 0.00 H new ATOM 0 HB3 SER A 24 35.706 20.949 -1.883 1.00 0.00 H new ATOM 0 HG SER A 24 33.534 19.081 -1.676 1.00 0.00 H new ATOM 361 N ILE A 25 33.208 23.329 -3.373 1.00 0.00 N ATOM 362 CA ILE A 25 33.354 24.620 -4.077 1.00 0.00 C ATOM 363 C ILE A 25 32.649 25.760 -3.318 1.00 0.00 C ATOM 364 O ILE A 25 33.131 26.891 -3.290 1.00 0.00 O ATOM 365 CB ILE A 25 32.884 24.576 -5.542 1.00 0.00 C ATOM 366 CG1 ILE A 25 33.148 23.265 -6.305 1.00 0.00 C ATOM 367 CG2 ILE A 25 33.564 25.730 -6.292 1.00 0.00 C ATOM 368 CD1 ILE A 25 34.557 22.672 -6.261 1.00 0.00 C ATOM 0 H ILE A 25 32.548 22.676 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 25 34.425 24.822 -4.099 1.00 0.00 H new ATOM 0 HB ILE A 25 31.798 24.660 -5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.459 22.513 -5.922 1.00 0.00 H new ATOM 0 HG13 ILE A 25 32.890 23.431 -7.351 1.00 0.00 H new ATOM 0 HG21 ILE A 25 33.248 25.722 -7.335 1.00 0.00 H new ATOM 0 HG22 ILE A 25 33.282 26.678 -5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.646 25.610 -6.240 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.583 21.752 -6.845 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.266 23.387 -6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.828 22.454 -5.228 1.00 0.00 H new ATOM 380 N VAL A 26 31.529 25.468 -2.655 1.00 0.00 N ATOM 381 CA VAL A 26 30.776 26.426 -1.834 1.00 0.00 C ATOM 382 C VAL A 26 31.599 26.844 -0.618 1.00 0.00 C ATOM 383 O VAL A 26 31.707 28.040 -0.392 1.00 0.00 O ATOM 384 CB VAL A 26 29.423 25.836 -1.411 1.00 0.00 C ATOM 385 CG1 VAL A 26 28.683 26.740 -0.421 1.00 0.00 C ATOM 386 CG2 VAL A 26 28.515 25.624 -2.637 1.00 0.00 C ATOM 0 H VAL A 26 31.108 24.539 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 26 30.577 27.315 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 26 29.641 24.884 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 26 27.732 26.282 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.290 26.872 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.500 27.711 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.561 25.205 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 26 28.343 26.580 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.997 24.937 -3.332 1.00 0.00 H new ATOM 396 N ASP A 27 32.276 25.935 0.093 1.00 0.00 N ATOM 397 CA ASP A 27 33.237 26.312 1.144 1.00 0.00 C ATOM 398 C ASP A 27 34.288 27.319 0.633 1.00 0.00 C ATOM 399 O ASP A 27 34.552 28.336 1.279 1.00 0.00 O ATOM 400 CB ASP A 27 33.929 25.056 1.685 1.00 0.00 C ATOM 401 CG ASP A 27 35.107 25.419 2.605 1.00 0.00 C ATOM 402 OD1 ASP A 27 34.870 25.941 3.719 1.00 0.00 O ATOM 403 OD2 ASP A 27 36.272 25.177 2.204 1.00 0.00 O ATOM 0 H ASP A 27 32.178 24.928 -0.039 1.00 0.00 H new ATOM 0 HA ASP A 27 32.681 26.801 1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.209 24.450 2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.288 24.449 0.854 1.00 0.00 H new ATOM 408 N SER A 28 34.814 27.092 -0.577 1.00 0.00 N ATOM 409 CA SER A 28 35.759 28.009 -1.232 1.00 0.00 C ATOM 410 C SER A 28 35.142 29.397 -1.492 1.00 0.00 C ATOM 411 O SER A 28 35.836 30.409 -1.389 1.00 0.00 O ATOM 412 CB SER A 28 36.286 27.384 -2.532 1.00 0.00 C ATOM 413 OG SER A 28 37.442 28.062 -2.993 1.00 0.00 O ATOM 0 H SER A 28 34.596 26.265 -1.132 1.00 0.00 H new ATOM 0 HA SER A 28 36.596 28.164 -0.551 1.00 0.00 H new ATOM 0 HB2 SER A 28 36.520 26.333 -2.365 1.00 0.00 H new ATOM 0 HB3 SER A 28 35.510 27.420 -3.297 1.00 0.00 H new ATOM 0 HG SER A 28 37.758 27.644 -3.821 1.00 0.00 H new ATOM 419 N ARG A 29 33.823 29.478 -1.729 1.00 0.00 N ATOM 420 CA ARG A 29 33.059 30.737 -1.846 1.00 0.00 C ATOM 421 C ARG A 29 32.706 31.359 -0.493 1.00 0.00 C ATOM 422 O ARG A 29 32.769 32.581 -0.364 1.00 0.00 O ATOM 423 CB ARG A 29 31.803 30.472 -2.696 1.00 0.00 C ATOM 424 CG ARG A 29 31.028 31.726 -3.109 1.00 0.00 C ATOM 425 CD ARG A 29 31.813 32.669 -4.024 1.00 0.00 C ATOM 426 NE ARG A 29 30.927 33.719 -4.573 1.00 0.00 N ATOM 427 CZ ARG A 29 31.172 34.482 -5.624 1.00 0.00 C ATOM 428 NH1 ARG A 29 32.305 34.424 -6.268 1.00 0.00 N ATOM 429 NH2 ARG A 29 30.290 35.331 -6.058 1.00 0.00 N ATOM 0 H ARG A 29 33.240 28.649 -1.848 1.00 0.00 H new ATOM 0 HA ARG A 29 33.692 31.476 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 29 32.098 29.932 -3.596 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.135 29.817 -2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.111 31.424 -3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 29 30.732 32.270 -2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 29 32.629 33.129 -3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.263 32.102 -4.839 1.00 0.00 H new ATOM 0 HE ARG A 29 30.040 33.869 -4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.032 33.776 -5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.464 35.026 -7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.390 35.417 -5.586 1.00 0.00 H new ATOM 0 HH22 ARG A 29 30.497 35.911 -6.871 1.00 0.00 H new ATOM 443 N LEU A 30 32.396 30.569 0.537 1.00 0.00 N ATOM 444 CA LEU A 30 32.144 31.094 1.886 1.00 0.00 C ATOM 445 C LEU A 30 33.417 31.708 2.506 1.00 0.00 C ATOM 446 O LEU A 30 33.342 32.750 3.157 1.00 0.00 O ATOM 447 CB LEU A 30 31.529 30.004 2.781 1.00 0.00 C ATOM 448 CG LEU A 30 30.183 29.430 2.295 1.00 0.00 C ATOM 449 CD1 LEU A 30 29.624 28.427 3.306 1.00 0.00 C ATOM 450 CD2 LEU A 30 29.119 30.510 2.062 1.00 0.00 C ATOM 0 H LEU A 30 32.312 29.555 0.464 1.00 0.00 H new ATOM 0 HA LEU A 30 31.420 31.905 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 30 32.243 29.185 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 30 31.389 30.415 3.781 1.00 0.00 H new ATOM 0 HG LEU A 30 30.398 28.944 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 30 28.674 28.035 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 30 30.330 27.607 3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 30 29.469 28.924 4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 30 28.195 30.043 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 30 28.933 31.045 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 30 29.472 31.211 1.305 1.00 0.00 H new ATOM 462 N ILE A 31 34.589 31.132 2.222 1.00 0.00 N ATOM 463 CA ILE A 31 35.905 31.712 2.552 1.00 0.00 C ATOM 464 C ILE A 31 36.248 32.884 1.605 1.00 0.00 C ATOM 465 O ILE A 31 36.848 33.876 2.024 1.00 0.00 O ATOM 466 CB ILE A 31 36.980 30.594 2.517 1.00 0.00 C ATOM 467 CG1 ILE A 31 36.704 29.557 3.633 1.00 0.00 C ATOM 468 CG2 ILE A 31 38.406 31.159 2.669 1.00 0.00 C ATOM 469 CD1 ILE A 31 37.534 28.273 3.514 1.00 0.00 C ATOM 0 H ILE A 31 34.657 30.232 1.747 1.00 0.00 H new ATOM 0 HA ILE A 31 35.878 32.128 3.559 1.00 0.00 H new ATOM 0 HB ILE A 31 36.918 30.111 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 31 36.904 30.018 4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 31 35.646 29.296 3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 31 39.126 30.342 2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 31 38.611 31.853 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 31 38.490 31.682 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 31 37.281 27.599 4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 31 37.317 27.786 2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 31 38.595 28.520 3.561 1.00 0.00 H new ATOM 481 N GLY A 32 35.843 32.792 0.332 1.00 0.00 N ATOM 482 CA GLY A 32 36.199 33.715 -0.750 1.00 0.00 C ATOM 483 C GLY A 32 35.507 35.071 -0.693 1.00 0.00 C ATOM 484 O GLY A 32 36.111 36.102 -0.996 1.00 0.00 O ATOM 0 H GLY A 32 35.232 32.039 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 32 37.277 33.873 -0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 32 35.962 33.243 -1.703 1.00 0.00 H new ATOM 488 N THR A 33 34.232 35.062 -0.301 1.00 0.00 N ATOM 489 CA THR A 33 33.408 36.275 -0.136 1.00 0.00 C ATOM 490 C THR A 33 32.268 36.144 0.894 1.00 0.00 C ATOM 491 O THR A 33 31.886 37.145 1.504 1.00 0.00 O ATOM 492 CB THR A 33 32.860 36.705 -1.509 1.00 0.00 C ATOM 493 OG1 THR A 33 32.280 37.990 -1.455 1.00 0.00 O ATOM 494 CG2 THR A 33 31.816 35.731 -2.048 1.00 0.00 C ATOM 0 H THR A 33 33.729 34.202 -0.084 1.00 0.00 H new ATOM 0 HA THR A 33 34.064 37.042 0.274 1.00 0.00 H new ATOM 0 HB THR A 33 33.719 36.713 -2.180 1.00 0.00 H new ATOM 0 HG1 THR A 33 31.943 38.234 -2.342 1.00 0.00 H new ATOM 0 HG21 THR A 33 31.461 36.079 -3.018 1.00 0.00 H new ATOM 0 HG22 THR A 33 32.263 34.743 -2.158 1.00 0.00 H new ATOM 0 HG23 THR A 33 30.978 35.675 -1.353 1.00 0.00 H new ATOM 502 N GLY A 34 31.747 34.931 1.150 1.00 0.00 N ATOM 503 CA GLY A 34 30.735 34.679 2.195 1.00 0.00 C ATOM 504 C GLY A 34 29.299 34.451 1.715 1.00 0.00 C ATOM 505 O GLY A 34 28.389 34.274 2.527 1.00 0.00 O ATOM 0 H GLY A 34 32.017 34.092 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 34 31.046 33.805 2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.735 35.526 2.881 1.00 0.00 H new ATOM 509 N SER A 35 29.088 34.402 0.403 1.00 0.00 N ATOM 510 CA SER A 35 27.800 34.113 -0.237 1.00 0.00 C ATOM 511 C SER A 35 27.998 33.557 -1.649 1.00 0.00 C ATOM 512 O SER A 35 28.898 33.967 -2.387 1.00 0.00 O ATOM 513 CB SER A 35 26.891 35.354 -0.263 1.00 0.00 C ATOM 514 OG SER A 35 27.526 36.467 -0.876 1.00 0.00 O ATOM 0 H SER A 35 29.834 34.568 -0.272 1.00 0.00 H new ATOM 0 HA SER A 35 27.304 33.350 0.363 1.00 0.00 H new ATOM 0 HB2 SER A 35 25.973 35.119 -0.801 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.606 35.616 0.756 1.00 0.00 H new ATOM 0 HG SER A 35 26.916 37.234 -0.874 1.00 0.00 H new ATOM 520 N VAL A 36 27.170 32.585 -2.024 1.00 0.00 N ATOM 521 CA VAL A 36 27.130 31.971 -3.364 1.00 0.00 C ATOM 522 C VAL A 36 26.085 32.682 -4.224 1.00 0.00 C ATOM 523 O VAL A 36 25.010 33.034 -3.734 1.00 0.00 O ATOM 524 CB VAL A 36 26.772 30.481 -3.238 1.00 0.00 C ATOM 525 CG1 VAL A 36 26.580 29.803 -4.593 1.00 0.00 C ATOM 526 CG2 VAL A 36 27.855 29.693 -2.501 1.00 0.00 C ATOM 0 H VAL A 36 26.482 32.184 -1.387 1.00 0.00 H new ATOM 0 HA VAL A 36 28.108 32.067 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 36 25.836 30.470 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 36 26.329 28.753 -4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 36 25.772 30.295 -5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 36 27.502 29.876 -5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.561 28.645 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 36 28.796 29.772 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 36 27.981 30.099 -1.497 1.00 0.00 H new ATOM 536 N ASP A 37 26.360 32.829 -5.521 1.00 0.00 N ATOM 537 CA ASP A 37 25.409 33.326 -6.525 1.00 0.00 C ATOM 538 C ASP A 37 25.278 32.321 -7.678 1.00 0.00 C ATOM 539 O ASP A 37 26.184 31.521 -7.913 1.00 0.00 O ATOM 540 CB ASP A 37 25.857 34.699 -7.058 1.00 0.00 C ATOM 541 CG ASP A 37 26.357 35.656 -5.959 1.00 0.00 C ATOM 542 OD1 ASP A 37 27.575 35.647 -5.649 1.00 0.00 O ATOM 543 OD2 ASP A 37 25.535 36.444 -5.429 1.00 0.00 O ATOM 0 H ASP A 37 27.273 32.601 -5.915 1.00 0.00 H new ATOM 0 HA ASP A 37 24.434 33.441 -6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 37 26.652 34.553 -7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 37 25.023 35.166 -7.582 1.00 0.00 H new ATOM 548 N GLU A 38 24.177 32.363 -8.435 1.00 0.00 N ATOM 549 CA GLU A 38 23.931 31.395 -9.520 1.00 0.00 C ATOM 550 C GLU A 38 25.060 31.376 -10.563 1.00 0.00 C ATOM 551 O GLU A 38 25.456 30.309 -11.034 1.00 0.00 O ATOM 552 CB GLU A 38 22.595 31.723 -10.209 1.00 0.00 C ATOM 553 CG GLU A 38 22.012 30.493 -10.913 1.00 0.00 C ATOM 554 CD GLU A 38 21.103 30.877 -12.093 1.00 0.00 C ATOM 555 OE1 GLU A 38 20.109 31.619 -11.903 1.00 0.00 O ATOM 556 OE2 GLU A 38 21.419 30.464 -13.237 1.00 0.00 O ATOM 0 H GLU A 38 23.438 33.057 -8.320 1.00 0.00 H new ATOM 0 HA GLU A 38 23.893 30.404 -9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 38 21.884 32.092 -9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 38 22.745 32.522 -10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.825 29.863 -11.273 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.443 29.901 -10.196 1.00 0.00 H new ATOM 563 N ASP A 39 25.637 32.542 -10.874 1.00 0.00 N ATOM 564 CA ASP A 39 26.734 32.670 -11.838 1.00 0.00 C ATOM 565 C ASP A 39 28.057 32.068 -11.334 1.00 0.00 C ATOM 566 O ASP A 39 28.922 31.740 -12.147 1.00 0.00 O ATOM 567 CB ASP A 39 26.901 34.150 -12.202 1.00 0.00 C ATOM 568 CG ASP A 39 27.867 34.350 -13.384 1.00 0.00 C ATOM 569 OD1 ASP A 39 27.576 33.829 -14.489 1.00 0.00 O ATOM 570 OD2 ASP A 39 28.885 35.065 -13.221 1.00 0.00 O ATOM 0 H ASP A 39 25.353 33.430 -10.460 1.00 0.00 H new ATOM 0 HA ASP A 39 26.472 32.093 -12.725 1.00 0.00 H new ATOM 0 HB2 ASP A 39 25.928 34.573 -12.454 1.00 0.00 H new ATOM 0 HB3 ASP A 39 27.272 34.697 -11.335 1.00 0.00 H new ATOM 575 N PHE A 40 28.213 31.862 -10.017 1.00 0.00 N ATOM 576 CA PHE A 40 29.349 31.124 -9.470 1.00 0.00 C ATOM 577 C PHE A 40 29.187 29.608 -9.649 1.00 0.00 C ATOM 578 O PHE A 40 30.163 28.938 -9.983 1.00 0.00 O ATOM 579 CB PHE A 40 29.544 31.511 -7.996 1.00 0.00 C ATOM 580 CG PHE A 40 30.696 30.787 -7.333 1.00 0.00 C ATOM 581 CD1 PHE A 40 32.019 31.173 -7.614 1.00 0.00 C ATOM 582 CD2 PHE A 40 30.447 29.700 -6.471 1.00 0.00 C ATOM 583 CE1 PHE A 40 33.094 30.484 -7.026 1.00 0.00 C ATOM 584 CE2 PHE A 40 31.523 28.998 -5.903 1.00 0.00 C ATOM 585 CZ PHE A 40 32.845 29.401 -6.168 1.00 0.00 C ATOM 0 H PHE A 40 27.559 32.201 -9.312 1.00 0.00 H new ATOM 0 HA PHE A 40 30.246 31.397 -10.026 1.00 0.00 H new ATOM 0 HB2 PHE A 40 29.713 32.586 -7.929 1.00 0.00 H new ATOM 0 HB3 PHE A 40 28.626 31.298 -7.447 1.00 0.00 H new ATOM 0 HD1 PHE A 40 32.209 32.000 -8.282 1.00 0.00 H new ATOM 0 HD2 PHE A 40 29.432 29.408 -6.248 1.00 0.00 H new ATOM 0 HE1 PHE A 40 34.110 30.787 -7.234 1.00 0.00 H new ATOM 0 HE2 PHE A 40 31.336 28.149 -5.263 1.00 0.00 H new ATOM 0 HZ PHE A 40 33.670 28.876 -5.710 1.00 0.00 H new ATOM 595 N LEU A 41 27.973 29.060 -9.463 1.00 0.00 N ATOM 596 CA LEU A 41 27.717 27.606 -9.466 1.00 0.00 C ATOM 597 C LEU A 41 27.478 26.988 -10.847 1.00 0.00 C ATOM 598 O LEU A 41 27.825 25.822 -11.041 1.00 0.00 O ATOM 599 CB LEU A 41 26.557 27.272 -8.506 1.00 0.00 C ATOM 600 CG LEU A 41 26.935 27.221 -7.017 1.00 0.00 C ATOM 601 CD1 LEU A 41 25.753 26.646 -6.237 1.00 0.00 C ATOM 602 CD2 LEU A 41 28.166 26.363 -6.706 1.00 0.00 C ATOM 0 H LEU A 41 27.134 29.618 -9.305 1.00 0.00 H new ATOM 0 HA LEU A 41 28.642 27.147 -9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.770 28.015 -8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 41 26.137 26.308 -8.791 1.00 0.00 H new ATOM 0 HG LEU A 41 27.179 28.243 -6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 41 26.003 26.602 -5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 41 24.880 27.283 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 41 25.532 25.642 -6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 41 28.362 26.383 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.983 25.336 -7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 41 29.030 26.759 -7.240 1.00 0.00 H new ATOM 614 N ARG A 42 26.971 27.738 -11.833 1.00 0.00 N ATOM 615 CA ARG A 42 26.840 27.236 -13.225 1.00 0.00 C ATOM 616 C ARG A 42 28.174 26.779 -13.843 1.00 0.00 C ATOM 617 O ARG A 42 28.193 25.908 -14.706 1.00 0.00 O ATOM 618 CB ARG A 42 26.113 28.258 -14.107 1.00 0.00 C ATOM 619 CG ARG A 42 26.839 29.602 -14.193 1.00 0.00 C ATOM 620 CD ARG A 42 26.113 30.589 -15.105 1.00 0.00 C ATOM 621 NE ARG A 42 24.790 31.014 -14.589 1.00 0.00 N ATOM 622 CZ ARG A 42 24.246 32.215 -14.701 1.00 0.00 C ATOM 623 NH1 ARG A 42 24.920 33.269 -15.065 1.00 0.00 N ATOM 624 NH2 ARG A 42 22.986 32.390 -14.437 1.00 0.00 N ATOM 0 H ARG A 42 26.642 28.695 -11.703 1.00 0.00 H new ATOM 0 HA ARG A 42 26.228 26.335 -13.175 1.00 0.00 H new ATOM 0 HB2 ARG A 42 26.001 27.848 -15.111 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.109 28.419 -13.714 1.00 0.00 H new ATOM 0 HG2 ARG A 42 26.928 30.030 -13.195 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.852 29.444 -14.564 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.739 31.470 -15.244 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.981 30.134 -16.087 1.00 0.00 H new ATOM 0 HE ARG A 42 24.243 30.308 -14.097 1.00 0.00 H new ATOM 0 HH11 ARG A 42 25.914 33.190 -15.279 1.00 0.00 H new ATOM 0 HH12 ARG A 42 24.453 34.173 -15.136 1.00 0.00 H new ATOM 0 HH21 ARG A 42 22.412 31.600 -14.142 1.00 0.00 H new ATOM 0 HH22 ARG A 42 22.571 33.317 -14.525 1.00 0.00 H new ATOM 638 N GLU A 43 29.292 27.306 -13.340 1.00 0.00 N ATOM 639 CA GLU A 43 30.662 26.918 -13.728 1.00 0.00 C ATOM 640 C GLU A 43 31.196 25.674 -12.993 1.00 0.00 C ATOM 641 O GLU A 43 32.316 25.234 -13.264 1.00 0.00 O ATOM 642 CB GLU A 43 31.630 28.093 -13.485 1.00 0.00 C ATOM 643 CG GLU A 43 31.103 29.435 -14.002 1.00 0.00 C ATOM 644 CD GLU A 43 32.251 30.436 -14.236 1.00 0.00 C ATOM 645 OE1 GLU A 43 32.855 30.927 -13.251 1.00 0.00 O ATOM 646 OE2 GLU A 43 32.568 30.733 -15.415 1.00 0.00 O ATOM 0 H GLU A 43 29.275 28.037 -12.629 1.00 0.00 H new ATOM 0 HA GLU A 43 30.607 26.662 -14.786 1.00 0.00 H new ATOM 0 HB2 GLU A 43 31.827 28.176 -12.416 1.00 0.00 H new ATOM 0 HB3 GLU A 43 32.582 27.875 -13.968 1.00 0.00 H new ATOM 0 HG2 GLU A 43 30.558 29.280 -14.933 1.00 0.00 H new ATOM 0 HG3 GLU A 43 30.396 29.851 -13.284 1.00 0.00 H new ATOM 653 N GLN A 44 30.436 25.103 -12.047 1.00 0.00 N ATOM 654 CA GLN A 44 30.904 24.054 -11.121 1.00 0.00 C ATOM 655 C GLN A 44 30.142 22.737 -11.255 1.00 0.00 C ATOM 656 O GLN A 44 30.649 21.707 -10.813 1.00 0.00 O ATOM 657 CB GLN A 44 30.778 24.531 -9.661 1.00 0.00 C ATOM 658 CG GLN A 44 31.293 25.950 -9.414 1.00 0.00 C ATOM 659 CD GLN A 44 32.748 26.202 -9.805 1.00 0.00 C ATOM 660 OE1 GLN A 44 33.570 25.308 -9.957 1.00 0.00 O ATOM 661 NE2 GLN A 44 33.120 27.453 -9.943 1.00 0.00 N ATOM 0 H GLN A 44 29.460 25.360 -11.899 1.00 0.00 H new ATOM 0 HA GLN A 44 31.944 23.871 -11.390 1.00 0.00 H new ATOM 0 HB2 GLN A 44 29.730 24.481 -9.364 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.325 23.842 -9.018 1.00 0.00 H new ATOM 0 HG2 GLN A 44 30.662 26.647 -9.965 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.175 26.181 -8.355 1.00 0.00 H new ATOM 0 HE21 GLN A 44 32.441 28.204 -9.818 1.00 0.00 H new ATOM 0 HE22 GLN A 44 34.088 27.675 -10.175 1.00 0.00 H new ATOM 670 N ILE A 45 28.937 22.761 -11.851 1.00 0.00 N ATOM 671 CA ILE A 45 28.079 21.579 -12.022 1.00 0.00 C ATOM 672 C ILE A 45 28.854 20.429 -12.642 1.00 0.00 C ATOM 673 O ILE A 45 29.029 19.410 -11.981 1.00 0.00 O ATOM 674 CB ILE A 45 26.821 21.841 -12.884 1.00 0.00 C ATOM 675 CG1 ILE A 45 26.928 23.021 -13.878 1.00 0.00 C ATOM 676 CG2 ILE A 45 25.613 22.032 -11.964 1.00 0.00 C ATOM 677 CD1 ILE A 45 25.811 23.051 -14.929 1.00 0.00 C ATOM 0 H ILE A 45 28.528 23.614 -12.232 1.00 0.00 H new ATOM 0 HA ILE A 45 27.746 21.323 -11.016 1.00 0.00 H new ATOM 0 HB ILE A 45 26.707 20.960 -13.516 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.913 23.957 -13.319 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.891 22.969 -14.386 1.00 0.00 H new ATOM 0 HG21 ILE A 45 24.723 22.217 -12.566 1.00 0.00 H new ATOM 0 HG22 ILE A 45 25.466 21.133 -11.365 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.789 22.882 -11.305 1.00 0.00 H new ATOM 0 HD11 ILE A 45 25.955 23.907 -15.589 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.838 22.132 -15.515 1.00 0.00 H new ATOM 0 HD13 ILE A 45 24.845 23.135 -14.431 1.00 0.00 H new ATOM 689 N ARG A 46 29.324 20.592 -13.888 1.00 0.00 N ATOM 690 CA ARG A 46 30.254 19.723 -14.635 1.00 0.00 C ATOM 691 C ARG A 46 29.785 18.297 -14.930 1.00 0.00 C ATOM 692 O ARG A 46 30.339 17.633 -15.804 1.00 0.00 O ATOM 693 CB ARG A 46 31.659 19.796 -14.014 1.00 0.00 C ATOM 694 CG ARG A 46 32.218 21.228 -14.064 1.00 0.00 C ATOM 695 CD ARG A 46 33.420 21.377 -13.137 1.00 0.00 C ATOM 696 NE ARG A 46 33.838 22.791 -13.077 1.00 0.00 N ATOM 697 CZ ARG A 46 34.987 23.287 -12.662 1.00 0.00 C ATOM 698 NH1 ARG A 46 35.968 22.537 -12.244 1.00 0.00 N ATOM 699 NH2 ARG A 46 35.151 24.576 -12.672 1.00 0.00 N ATOM 0 H ARG A 46 29.043 21.398 -14.446 1.00 0.00 H new ATOM 0 HA ARG A 46 30.286 20.138 -15.642 1.00 0.00 H new ATOM 0 HB2 ARG A 46 31.620 19.454 -12.980 1.00 0.00 H new ATOM 0 HB3 ARG A 46 32.330 19.122 -14.547 1.00 0.00 H new ATOM 0 HG2 ARG A 46 32.509 21.473 -15.085 1.00 0.00 H new ATOM 0 HG3 ARG A 46 31.441 21.936 -13.775 1.00 0.00 H new ATOM 0 HD2 ARG A 46 33.166 21.022 -12.138 1.00 0.00 H new ATOM 0 HD3 ARG A 46 34.244 20.760 -13.495 1.00 0.00 H new ATOM 0 HE ARG A 46 33.150 23.472 -13.398 1.00 0.00 H new ATOM 0 HH11 ARG A 46 35.864 21.522 -12.229 1.00 0.00 H new ATOM 0 HH12 ARG A 46 36.840 22.965 -11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 46 34.399 25.183 -12.997 1.00 0.00 H new ATOM 0 HH22 ARG A 46 36.032 24.980 -12.355 1.00 0.00 H new ATOM 713 N ASP A 47 28.717 17.869 -14.267 1.00 0.00 N ATOM 714 CA ASP A 47 28.078 16.551 -14.425 1.00 0.00 C ATOM 715 C ASP A 47 26.545 16.623 -14.316 1.00 0.00 C ATOM 716 O ASP A 47 25.840 15.851 -14.969 1.00 0.00 O ATOM 717 CB ASP A 47 28.620 15.561 -13.377 1.00 0.00 C ATOM 718 CG ASP A 47 30.150 15.403 -13.389 1.00 0.00 C ATOM 719 OD1 ASP A 47 30.661 14.594 -14.201 1.00 0.00 O ATOM 720 OD2 ASP A 47 30.840 16.051 -12.564 1.00 0.00 O ATOM 0 H ASP A 47 28.246 18.450 -13.573 1.00 0.00 H new ATOM 0 HA ASP A 47 28.324 16.202 -15.428 1.00 0.00 H new ATOM 0 HB2 ASP A 47 28.308 15.892 -12.386 1.00 0.00 H new ATOM 0 HB3 ASP A 47 28.164 14.585 -13.546 1.00 0.00 H new ATOM 725 N ALA A 48 26.025 17.559 -13.514 1.00 0.00 N ATOM 726 CA ALA A 48 24.597 17.731 -13.263 1.00 0.00 C ATOM 727 C ALA A 48 23.908 18.764 -14.168 1.00 0.00 C ATOM 728 O ALA A 48 24.535 19.701 -14.668 1.00 0.00 O ATOM 729 CB ALA A 48 24.416 18.139 -11.803 1.00 0.00 C ATOM 0 H ALA A 48 26.603 18.232 -13.011 1.00 0.00 H new ATOM 0 HA ALA A 48 24.120 16.777 -13.490 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.355 18.274 -11.592 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.819 17.361 -11.155 1.00 0.00 H new ATOM 0 HB3 ALA A 48 24.944 19.074 -11.618 1.00 0.00 H new ATOM 735 N ARG A 49 22.582 18.633 -14.282 1.00 0.00 N ATOM 736 CA ARG A 49 21.686 19.612 -14.906 1.00 0.00 C ATOM 737 C ARG A 49 21.546 20.851 -14.026 1.00 0.00 C ATOM 738 O ARG A 49 21.794 21.960 -14.501 1.00 0.00 O ATOM 739 CB ARG A 49 20.314 18.955 -15.186 1.00 0.00 C ATOM 740 CG ARG A 49 19.898 18.962 -16.663 1.00 0.00 C ATOM 741 CD ARG A 49 20.916 18.364 -17.651 1.00 0.00 C ATOM 742 NE ARG A 49 21.506 17.089 -17.187 1.00 0.00 N ATOM 743 CZ ARG A 49 22.194 16.217 -17.899 1.00 0.00 C ATOM 744 NH1 ARG A 49 22.349 16.334 -19.189 1.00 0.00 N ATOM 745 NH2 ARG A 49 22.751 15.203 -17.307 1.00 0.00 N ATOM 0 H ARG A 49 22.086 17.814 -13.930 1.00 0.00 H new ATOM 0 HA ARG A 49 22.111 19.936 -15.856 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.340 17.924 -14.833 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.551 19.472 -14.604 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.962 18.413 -16.759 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.696 19.991 -16.959 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.427 18.201 -18.611 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.715 19.086 -17.819 1.00 0.00 H new ATOM 0 HE ARG A 49 21.365 16.858 -16.204 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.931 17.122 -19.684 1.00 0.00 H new ATOM 0 HH12 ARG A 49 22.889 15.638 -19.703 1.00 0.00 H new ATOM 0 HH21 ARG A 49 22.655 15.085 -16.298 1.00 0.00 H new ATOM 0 HH22 ARG A 49 23.284 14.525 -17.851 1.00 0.00 H new ATOM 759 N TYR A 50 21.181 20.670 -12.749 1.00 0.00 N ATOM 760 CA TYR A 50 20.805 21.771 -11.850 1.00 0.00 C ATOM 761 C TYR A 50 21.536 21.670 -10.497 1.00 0.00 C ATOM 762 O TYR A 50 21.546 20.600 -9.891 1.00 0.00 O ATOM 763 CB TYR A 50 19.267 21.736 -11.656 1.00 0.00 C ATOM 764 CG TYR A 50 18.437 21.402 -12.892 1.00 0.00 C ATOM 765 CD1 TYR A 50 18.640 22.104 -14.096 1.00 0.00 C ATOM 766 CD2 TYR A 50 17.444 20.402 -12.838 1.00 0.00 C ATOM 767 CE1 TYR A 50 17.862 21.822 -15.235 1.00 0.00 C ATOM 768 CE2 TYR A 50 16.665 20.110 -13.976 1.00 0.00 C ATOM 769 CZ TYR A 50 16.869 20.821 -15.176 1.00 0.00 C ATOM 770 OH TYR A 50 16.107 20.540 -16.267 1.00 0.00 O ATOM 0 H TYR A 50 21.138 19.751 -12.308 1.00 0.00 H new ATOM 0 HA TYR A 50 21.102 22.721 -12.294 1.00 0.00 H new ATOM 0 HB2 TYR A 50 19.036 21.005 -10.881 1.00 0.00 H new ATOM 0 HB3 TYR A 50 18.947 22.708 -11.282 1.00 0.00 H new ATOM 0 HD1 TYR A 50 19.402 22.868 -14.146 1.00 0.00 H new ATOM 0 HD2 TYR A 50 17.280 19.857 -11.920 1.00 0.00 H new ATOM 0 HE1 TYR A 50 18.025 22.370 -16.151 1.00 0.00 H new ATOM 0 HE2 TYR A 50 15.910 19.339 -13.928 1.00 0.00 H new ATOM 0 HH TYR A 50 15.475 19.824 -16.049 1.00 0.00 H new ATOM 780 N ALA A 51 22.136 22.758 -9.995 1.00 0.00 N ATOM 781 CA ALA A 51 22.663 22.832 -8.620 1.00 0.00 C ATOM 782 C ALA A 51 21.783 23.745 -7.741 1.00 0.00 C ATOM 783 O ALA A 51 21.205 24.710 -8.236 1.00 0.00 O ATOM 784 CB ALA A 51 24.126 23.288 -8.654 1.00 0.00 C ATOM 0 H ALA A 51 22.271 23.616 -10.530 1.00 0.00 H new ATOM 0 HA ALA A 51 22.632 21.842 -8.166 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.514 23.342 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.716 22.575 -9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 51 24.190 24.272 -9.119 1.00 0.00 H new ATOM 790 N VAL A 52 21.665 23.446 -6.444 1.00 0.00 N ATOM 791 CA VAL A 52 20.728 24.091 -5.502 1.00 0.00 C ATOM 792 C VAL A 52 21.407 24.356 -4.152 1.00 0.00 C ATOM 793 O VAL A 52 22.184 23.535 -3.661 1.00 0.00 O ATOM 794 CB VAL A 52 19.456 23.228 -5.334 1.00 0.00 C ATOM 795 CG1 VAL A 52 18.470 23.820 -4.316 1.00 0.00 C ATOM 796 CG2 VAL A 52 18.712 23.051 -6.665 1.00 0.00 C ATOM 0 H VAL A 52 22.235 22.726 -6.000 1.00 0.00 H new ATOM 0 HA VAL A 52 20.430 25.055 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 52 19.810 22.264 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.596 23.174 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.954 23.895 -3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 52 18.160 24.812 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.824 22.439 -6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.416 24.027 -7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.367 22.561 -7.385 1.00 0.00 H new ATOM 806 N ILE A 53 21.108 25.506 -3.537 1.00 0.00 N ATOM 807 CA ILE A 53 21.789 26.025 -2.338 1.00 0.00 C ATOM 808 C ILE A 53 20.865 26.206 -1.132 1.00 0.00 C ATOM 809 O ILE A 53 19.837 26.871 -1.222 1.00 0.00 O ATOM 810 CB ILE A 53 22.535 27.335 -2.717 1.00 0.00 C ATOM 811 CG1 ILE A 53 24.003 27.040 -3.070 1.00 0.00 C ATOM 812 CG2 ILE A 53 22.467 28.498 -1.698 1.00 0.00 C ATOM 813 CD1 ILE A 53 24.830 26.466 -1.913 1.00 0.00 C ATOM 0 H ILE A 53 20.364 26.121 -3.867 1.00 0.00 H new ATOM 0 HA ILE A 53 22.509 25.277 -2.007 1.00 0.00 H new ATOM 0 HB ILE A 53 21.981 27.699 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 53 24.030 26.337 -3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 53 24.473 27.961 -3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 53 23.027 29.351 -2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.427 28.786 -1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.899 28.177 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 53 25.851 26.288 -2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.839 27.175 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 53 24.388 25.526 -1.581 1.00 0.00 H new ATOM 825 N ARG A 54 21.297 25.694 0.026 1.00 0.00 N ATOM 826 CA ARG A 54 20.694 25.921 1.351 1.00 0.00 C ATOM 827 C ARG A 54 21.790 26.322 2.351 1.00 0.00 C ATOM 828 O ARG A 54 22.256 25.515 3.151 1.00 0.00 O ATOM 829 CB ARG A 54 19.957 24.644 1.799 1.00 0.00 C ATOM 830 CG ARG A 54 18.832 24.134 0.879 1.00 0.00 C ATOM 831 CD ARG A 54 17.630 25.076 0.750 1.00 0.00 C ATOM 832 NE ARG A 54 16.901 25.226 2.028 1.00 0.00 N ATOM 833 CZ ARG A 54 15.747 25.845 2.213 1.00 0.00 C ATOM 834 NH1 ARG A 54 15.102 26.414 1.234 1.00 0.00 N ATOM 835 NH2 ARG A 54 15.212 25.900 3.399 1.00 0.00 N ATOM 0 H ARG A 54 22.112 25.083 0.071 1.00 0.00 H new ATOM 0 HA ARG A 54 19.969 26.734 1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.693 23.848 1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.533 24.825 2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.246 23.958 -0.114 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.483 23.172 1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.971 26.054 0.411 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.951 24.694 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 54 17.333 24.809 2.852 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.485 26.390 0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.214 26.883 1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.683 25.464 4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.322 26.379 3.535 1.00 0.00 H new ATOM 849 N ILE A 55 22.247 27.570 2.277 1.00 0.00 N ATOM 850 CA ILE A 55 23.177 28.164 3.263 1.00 0.00 C ATOM 851 C ILE A 55 22.360 28.921 4.331 1.00 0.00 C ATOM 852 O ILE A 55 21.513 29.734 3.955 1.00 0.00 O ATOM 853 CB ILE A 55 24.202 29.091 2.562 1.00 0.00 C ATOM 854 CG1 ILE A 55 25.139 28.303 1.622 1.00 0.00 C ATOM 855 CG2 ILE A 55 25.065 29.857 3.583 1.00 0.00 C ATOM 856 CD1 ILE A 55 25.637 29.133 0.440 1.00 0.00 C ATOM 0 H ILE A 55 21.986 28.212 1.528 1.00 0.00 H new ATOM 0 HA ILE A 55 23.747 27.375 3.753 1.00 0.00 H new ATOM 0 HB ILE A 55 23.616 29.799 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.995 27.942 2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.613 27.425 1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.772 30.497 3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.423 30.470 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.612 29.147 4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.291 28.523 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.786 29.472 -0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.190 29.997 0.809 1.00 0.00 H new ATOM 868 N PRO A 56 22.599 28.720 5.643 1.00 0.00 N ATOM 869 CA PRO A 56 21.912 29.483 6.687 1.00 0.00 C ATOM 870 C PRO A 56 22.275 30.979 6.626 1.00 0.00 C ATOM 871 O PRO A 56 23.437 31.350 6.443 1.00 0.00 O ATOM 872 CB PRO A 56 22.316 28.827 8.013 1.00 0.00 C ATOM 873 CG PRO A 56 23.675 28.200 7.705 1.00 0.00 C ATOM 874 CD PRO A 56 23.532 27.773 6.245 1.00 0.00 C ATOM 0 HA PRO A 56 20.830 29.458 6.562 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.385 29.559 8.818 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.590 28.077 8.327 1.00 0.00 H new ATOM 0 HG2 PRO A 56 24.488 28.913 7.839 1.00 0.00 H new ATOM 0 HG3 PRO A 56 23.885 27.351 8.355 1.00 0.00 H new ATOM 0 HD2 PRO A 56 24.495 27.795 5.735 1.00 0.00 H new ATOM 0 HD3 PRO A 56 23.156 26.753 6.171 1.00 0.00 H new ATOM 882 N GLY A 57 21.272 31.848 6.774 1.00 0.00 N ATOM 883 CA GLY A 57 21.424 33.309 6.771 1.00 0.00 C ATOM 884 C GLY A 57 21.402 33.982 5.390 1.00 0.00 C ATOM 885 O GLY A 57 21.487 35.211 5.327 1.00 0.00 O ATOM 0 H GLY A 57 20.305 31.549 6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 57 20.626 33.739 7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 57 22.365 33.558 7.260 1.00 0.00 H new ATOM 889 N GLN A 58 21.270 33.223 4.291 1.00 0.00 N ATOM 890 CA GLN A 58 21.132 33.764 2.925 1.00 0.00 C ATOM 891 C GLN A 58 20.073 33.006 2.090 1.00 0.00 C ATOM 892 O GLN A 58 19.761 31.853 2.405 1.00 0.00 O ATOM 893 CB GLN A 58 22.528 33.826 2.274 1.00 0.00 C ATOM 894 CG GLN A 58 23.072 32.507 1.718 1.00 0.00 C ATOM 895 CD GLN A 58 24.549 32.642 1.335 1.00 0.00 C ATOM 896 OE1 GLN A 58 24.951 32.485 0.190 1.00 0.00 O ATOM 897 NE2 GLN A 58 25.413 32.950 2.284 1.00 0.00 N ATOM 0 H GLN A 58 21.256 32.204 4.324 1.00 0.00 H new ATOM 0 HA GLN A 58 20.740 34.780 2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 58 22.496 34.553 1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 58 23.235 34.204 3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 58 22.956 31.719 2.462 1.00 0.00 H new ATOM 0 HG3 GLN A 58 22.492 32.209 0.845 1.00 0.00 H new ATOM 0 HE21 GLN A 58 25.091 33.084 3.243 1.00 0.00 H new ATOM 0 HE22 GLN A 58 26.402 33.054 2.059 1.00 0.00 H new ATOM 906 N PRO A 59 19.488 33.625 1.044 1.00 0.00 N ATOM 907 CA PRO A 59 18.396 33.024 0.276 1.00 0.00 C ATOM 908 C PRO A 59 18.849 31.832 -0.584 1.00 0.00 C ATOM 909 O PRO A 59 20.000 31.748 -1.021 1.00 0.00 O ATOM 910 CB PRO A 59 17.819 34.160 -0.575 1.00 0.00 C ATOM 911 CG PRO A 59 19.016 35.087 -0.777 1.00 0.00 C ATOM 912 CD PRO A 59 19.760 34.971 0.552 1.00 0.00 C ATOM 0 HA PRO A 59 17.646 32.598 0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 59 17.429 33.794 -1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.998 34.667 -0.067 1.00 0.00 H new ATOM 0 HG2 PRO A 59 19.635 34.771 -1.616 1.00 0.00 H new ATOM 0 HG3 PRO A 59 18.705 36.112 -0.978 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.830 35.129 0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 59 19.414 35.724 1.261 1.00 0.00 H new ATOM 920 N VAL A 60 17.910 30.921 -0.862 1.00 0.00 N ATOM 921 CA VAL A 60 18.100 29.789 -1.788 1.00 0.00 C ATOM 922 C VAL A 60 18.460 30.271 -3.201 1.00 0.00 C ATOM 923 O VAL A 60 17.811 31.157 -3.763 1.00 0.00 O ATOM 924 CB VAL A 60 16.873 28.843 -1.785 1.00 0.00 C ATOM 925 CG1 VAL A 60 15.527 29.555 -1.997 1.00 0.00 C ATOM 926 CG2 VAL A 60 16.966 27.728 -2.836 1.00 0.00 C ATOM 0 H VAL A 60 16.979 30.946 -0.445 1.00 0.00 H new ATOM 0 HA VAL A 60 18.949 29.207 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 60 16.901 28.420 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.721 28.821 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 60 15.371 30.283 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 60 15.533 30.066 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 60 16.076 27.101 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 60 17.038 28.170 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 60 17.850 27.120 -2.644 1.00 0.00 H new ATOM 936 N VAL A 61 19.489 29.649 -3.783 1.00 0.00 N ATOM 937 CA VAL A 61 19.886 29.789 -5.198 1.00 0.00 C ATOM 938 C VAL A 61 19.611 28.472 -5.931 1.00 0.00 C ATOM 939 O VAL A 61 19.835 27.398 -5.370 1.00 0.00 O ATOM 940 CB VAL A 61 21.363 30.231 -5.316 1.00 0.00 C ATOM 941 CG1 VAL A 61 21.862 30.298 -6.763 1.00 0.00 C ATOM 942 CG2 VAL A 61 21.579 31.611 -4.684 1.00 0.00 C ATOM 0 H VAL A 61 20.094 29.010 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 61 19.293 30.572 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 61 21.931 29.466 -4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 61 22.905 30.614 -6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 61 21.777 29.314 -7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.260 31.014 -7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 61 22.627 31.896 -4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.954 32.346 -5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.310 31.574 -3.628 1.00 0.00 H new ATOM 952 N GLU A 62 19.146 28.542 -7.181 1.00 0.00 N ATOM 953 CA GLU A 62 18.869 27.387 -8.049 1.00 0.00 C ATOM 954 C GLU A 62 19.438 27.655 -9.456 1.00 0.00 C ATOM 955 O GLU A 62 19.055 28.622 -10.118 1.00 0.00 O ATOM 956 CB GLU A 62 17.354 27.127 -8.141 1.00 0.00 C ATOM 957 CG GLU A 62 16.703 26.772 -6.799 1.00 0.00 C ATOM 958 CD GLU A 62 15.193 26.528 -6.972 1.00 0.00 C ATOM 959 OE1 GLU A 62 14.785 25.372 -7.238 1.00 0.00 O ATOM 960 OE2 GLU A 62 14.400 27.494 -6.838 1.00 0.00 O ATOM 0 H GLU A 62 18.944 29.433 -7.635 1.00 0.00 H new ATOM 0 HA GLU A 62 19.345 26.505 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.867 28.014 -8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.177 26.315 -8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.175 25.881 -6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.866 27.580 -6.085 1.00 0.00 H new ATOM 967 N VAL A 63 20.365 26.811 -9.911 1.00 0.00 N ATOM 968 CA VAL A 63 21.121 26.942 -11.167 1.00 0.00 C ATOM 969 C VAL A 63 20.459 26.150 -12.303 1.00 0.00 C ATOM 970 O VAL A 63 19.783 25.152 -12.052 1.00 0.00 O ATOM 971 CB VAL A 63 22.555 26.449 -10.909 1.00 0.00 C ATOM 972 CG1 VAL A 63 23.503 26.684 -12.081 1.00 0.00 C ATOM 973 CG2 VAL A 63 23.203 27.108 -9.685 1.00 0.00 C ATOM 0 H VAL A 63 20.625 25.973 -9.390 1.00 0.00 H new ATOM 0 HA VAL A 63 21.135 27.985 -11.484 1.00 0.00 H new ATOM 0 HB VAL A 63 22.423 25.379 -10.746 1.00 0.00 H new ATOM 0 HG11 VAL A 63 24.495 26.311 -11.827 1.00 0.00 H new ATOM 0 HG12 VAL A 63 23.132 26.158 -12.960 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.560 27.751 -12.294 1.00 0.00 H new ATOM 0 HG21 VAL A 63 24.213 26.720 -9.555 1.00 0.00 H new ATOM 0 HG22 VAL A 63 23.245 28.187 -9.832 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.612 26.886 -8.797 1.00 0.00 H new ATOM 983 N GLY A 64 20.685 26.534 -13.566 1.00 0.00 N ATOM 984 CA GLY A 64 20.190 25.796 -14.734 1.00 0.00 C ATOM 985 C GLY A 64 18.693 26.002 -14.976 1.00 0.00 C ATOM 986 O GLY A 64 18.297 26.958 -15.647 1.00 0.00 O ATOM 0 H GLY A 64 21.219 27.369 -13.807 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.743 26.112 -15.619 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.388 24.733 -14.597 1.00 0.00 H new ATOM 990 N THR A 65 17.844 25.099 -14.477 1.00 0.00 N ATOM 991 CA THR A 65 16.369 25.219 -14.551 1.00 0.00 C ATOM 992 C THR A 65 15.715 24.464 -13.385 1.00 0.00 C ATOM 993 O THR A 65 16.273 23.502 -12.868 1.00 0.00 O ATOM 994 CB THR A 65 15.824 24.688 -15.899 1.00 0.00 C ATOM 995 OG1 THR A 65 16.535 25.244 -16.986 1.00 0.00 O ATOM 996 CG2 THR A 65 14.354 25.033 -16.155 1.00 0.00 C ATOM 0 H THR A 65 18.156 24.251 -14.003 1.00 0.00 H new ATOM 0 HA THR A 65 16.118 26.277 -14.480 1.00 0.00 H new ATOM 0 HB THR A 65 15.942 23.607 -15.825 1.00 0.00 H new ATOM 0 HG1 THR A 65 16.174 24.893 -17.827 1.00 0.00 H new ATOM 0 HG21 THR A 65 14.047 24.626 -17.119 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.737 24.603 -15.366 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.230 26.116 -16.162 1.00 0.00 H new ATOM 1004 N LYS A 66 14.521 24.875 -12.950 1.00 0.00 N ATOM 1005 CA LYS A 66 13.755 24.156 -11.921 1.00 0.00 C ATOM 1006 C LYS A 66 13.281 22.780 -12.447 1.00 0.00 C ATOM 1007 O LYS A 66 12.672 22.725 -13.521 1.00 0.00 O ATOM 1008 CB LYS A 66 12.572 25.024 -11.449 1.00 0.00 C ATOM 1009 CG LYS A 66 11.755 24.338 -10.341 1.00 0.00 C ATOM 1010 CD LYS A 66 10.531 25.170 -9.935 1.00 0.00 C ATOM 1011 CE LYS A 66 9.686 24.468 -8.858 1.00 0.00 C ATOM 1012 NZ LYS A 66 9.002 23.244 -9.367 1.00 0.00 N ATOM 0 H LYS A 66 14.056 25.713 -13.298 1.00 0.00 H new ATOM 0 HA LYS A 66 14.401 23.966 -11.064 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.948 25.979 -11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.922 25.241 -12.296 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.429 23.356 -10.685 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.389 24.176 -9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.860 26.140 -9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.914 25.359 -10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.327 24.198 -8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.939 25.165 -8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.394 22.850 -8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.420 23.490 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.714 22.538 -9.643 1.00 0.00 H new ATOM 1026 N PRO A 67 13.506 21.681 -11.703 1.00 0.00 N ATOM 1027 CA PRO A 67 13.097 20.332 -12.087 1.00 0.00 C ATOM 1028 C PRO A 67 11.614 20.016 -11.834 1.00 0.00 C ATOM 1029 O PRO A 67 10.946 20.636 -11.002 1.00 0.00 O ATOM 1030 CB PRO A 67 13.986 19.400 -11.277 1.00 0.00 C ATOM 1031 CG PRO A 67 14.296 20.192 -10.017 1.00 0.00 C ATOM 1032 CD PRO A 67 14.322 21.634 -10.501 1.00 0.00 C ATOM 0 HA PRO A 67 13.210 20.214 -13.165 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.477 18.464 -11.045 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.895 19.143 -11.821 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.536 20.040 -9.250 1.00 0.00 H new ATOM 0 HG3 PRO A 67 15.251 19.897 -9.582 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.928 22.306 -9.739 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.342 21.954 -10.712 1.00 0.00 H new ATOM 1040 N THR A 68 11.120 19.003 -12.555 1.00 0.00 N ATOM 1041 CA THR A 68 9.672 18.689 -12.621 1.00 0.00 C ATOM 1042 C THR A 68 9.161 17.732 -11.529 1.00 0.00 C ATOM 1043 O THR A 68 8.031 17.874 -11.054 1.00 0.00 O ATOM 1044 CB THR A 68 9.324 18.196 -14.040 1.00 0.00 C ATOM 1045 OG1 THR A 68 7.929 18.084 -14.209 1.00 0.00 O ATOM 1046 CG2 THR A 68 9.950 16.843 -14.397 1.00 0.00 C ATOM 0 H THR A 68 11.702 18.375 -13.110 1.00 0.00 H new ATOM 0 HA THR A 68 9.140 19.616 -12.410 1.00 0.00 H new ATOM 0 HB THR A 68 9.742 18.951 -14.707 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.734 17.771 -15.117 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.660 16.564 -15.410 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.036 16.918 -14.338 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.600 16.084 -13.697 1.00 0.00 H new ATOM 1054 N GLY A 69 9.991 16.771 -11.106 1.00 0.00 N ATOM 1055 CA GLY A 69 9.634 15.695 -10.159 1.00 0.00 C ATOM 1056 C GLY A 69 10.228 14.341 -10.564 1.00 0.00 C ATOM 1057 O GLY A 69 10.708 13.582 -9.723 1.00 0.00 O ATOM 0 H GLY A 69 10.960 16.714 -11.420 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.986 15.960 -9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.549 15.610 -10.101 1.00 0.00 H new ATOM 1061 N ASP A 70 10.277 14.083 -11.874 1.00 0.00 N ATOM 1062 CA ASP A 70 11.000 12.962 -12.491 1.00 0.00 C ATOM 1063 C ASP A 70 12.504 13.270 -12.572 1.00 0.00 C ATOM 1064 O ASP A 70 13.091 13.400 -13.649 1.00 0.00 O ATOM 1065 CB ASP A 70 10.379 12.565 -13.837 1.00 0.00 C ATOM 1066 CG ASP A 70 8.937 12.069 -13.680 1.00 0.00 C ATOM 1067 OD1 ASP A 70 8.769 10.909 -13.229 1.00 0.00 O ATOM 1068 OD2 ASP A 70 7.985 12.816 -14.012 1.00 0.00 O ATOM 0 H ASP A 70 9.799 14.668 -12.560 1.00 0.00 H new ATOM 0 HA ASP A 70 10.898 12.083 -11.855 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.396 13.421 -14.511 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.983 11.784 -14.299 1.00 0.00 H new ATOM 1073 N VAL A 71 13.116 13.428 -11.395 1.00 0.00 N ATOM 1074 CA VAL A 71 14.521 13.798 -11.206 1.00 0.00 C ATOM 1075 C VAL A 71 15.181 13.020 -10.055 1.00 0.00 C ATOM 1076 O VAL A 71 14.523 12.566 -9.116 1.00 0.00 O ATOM 1077 CB VAL A 71 14.690 15.323 -11.014 1.00 0.00 C ATOM 1078 CG1 VAL A 71 14.295 16.117 -12.276 1.00 0.00 C ATOM 1079 CG2 VAL A 71 13.928 15.862 -9.797 1.00 0.00 C ATOM 0 H VAL A 71 12.625 13.296 -10.511 1.00 0.00 H new ATOM 0 HA VAL A 71 15.040 13.517 -12.123 1.00 0.00 H new ATOM 0 HB VAL A 71 15.754 15.471 -10.830 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.431 17.183 -12.093 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.924 15.810 -13.111 1.00 0.00 H new ATOM 0 HG13 VAL A 71 13.250 15.920 -12.517 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.086 16.937 -9.716 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.864 15.660 -9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.292 15.373 -8.894 1.00 0.00 H new ATOM 1089 N LEU A 72 16.501 12.879 -10.142 1.00 0.00 N ATOM 1090 CA LEU A 72 17.417 12.358 -9.120 1.00 0.00 C ATOM 1091 C LEU A 72 17.886 13.507 -8.238 1.00 0.00 C ATOM 1092 O LEU A 72 18.087 14.607 -8.755 1.00 0.00 O ATOM 1093 CB LEU A 72 18.662 11.779 -9.815 1.00 0.00 C ATOM 1094 CG LEU A 72 18.350 10.598 -10.731 1.00 0.00 C ATOM 1095 CD1 LEU A 72 19.439 10.426 -11.788 1.00 0.00 C ATOM 1096 CD2 LEU A 72 18.243 9.313 -9.923 1.00 0.00 C ATOM 0 H LEU A 72 17.000 13.145 -10.991 1.00 0.00 H new ATOM 0 HA LEU A 72 16.906 11.597 -8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.142 12.565 -10.398 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.378 11.462 -9.057 1.00 0.00 H new ATOM 0 HG LEU A 72 17.400 10.804 -11.223 1.00 0.00 H new ATOM 0 HD11 LEU A 72 19.194 9.578 -12.428 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.505 11.330 -12.393 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.396 10.246 -11.298 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.020 8.481 -10.591 1.00 0.00 H new ATOM 0 HD22 LEU A 72 19.187 9.125 -9.411 1.00 0.00 H new ATOM 0 HD23 LEU A 72 17.445 9.411 -9.187 1.00 0.00 H new ATOM 1108 N GLN A 73 18.143 13.263 -6.952 1.00 0.00 N ATOM 1109 CA GLN A 73 18.636 14.302 -6.032 1.00 0.00 C ATOM 1110 C GLN A 73 19.913 13.867 -5.295 1.00 0.00 C ATOM 1111 O GLN A 73 19.890 12.919 -4.511 1.00 0.00 O ATOM 1112 CB GLN A 73 17.547 14.675 -5.012 1.00 0.00 C ATOM 1113 CG GLN A 73 16.303 15.305 -5.655 1.00 0.00 C ATOM 1114 CD GLN A 73 15.388 15.957 -4.618 1.00 0.00 C ATOM 1115 OE1 GLN A 73 15.194 15.472 -3.509 1.00 0.00 O ATOM 1116 NE2 GLN A 73 14.795 17.087 -4.929 1.00 0.00 N ATOM 0 H GLN A 73 18.018 12.349 -6.517 1.00 0.00 H new ATOM 0 HA GLN A 73 18.884 15.174 -6.637 1.00 0.00 H new ATOM 0 HB2 GLN A 73 17.251 13.781 -4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 73 17.964 15.371 -4.284 1.00 0.00 H new ATOM 0 HG2 GLN A 73 16.612 16.052 -6.386 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.748 14.539 -6.197 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.944 17.506 -5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.185 17.546 -4.252 1.00 0.00 H new ATOM 1125 N GLY A 74 21.022 14.572 -5.519 1.00 0.00 N ATOM 1126 CA GLY A 74 22.269 14.452 -4.752 1.00 0.00 C ATOM 1127 C GLY A 74 22.294 15.489 -3.629 1.00 0.00 C ATOM 1128 O GLY A 74 21.690 16.547 -3.783 1.00 0.00 O ATOM 0 H GLY A 74 21.082 15.266 -6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.353 13.449 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.126 14.596 -5.410 1.00 0.00 H new ATOM 1132 N ARG A 75 22.966 15.226 -2.502 1.00 0.00 N ATOM 1133 CA ARG A 75 22.896 16.091 -1.303 1.00 0.00 C ATOM 1134 C ARG A 75 24.123 15.957 -0.390 1.00 0.00 C ATOM 1135 O ARG A 75 24.588 14.851 -0.120 1.00 0.00 O ATOM 1136 CB ARG A 75 21.594 15.784 -0.531 1.00 0.00 C ATOM 1137 CG ARG A 75 21.354 16.747 0.645 1.00 0.00 C ATOM 1138 CD ARG A 75 20.009 16.465 1.322 1.00 0.00 C ATOM 1139 NE ARG A 75 19.832 17.304 2.526 1.00 0.00 N ATOM 1140 CZ ARG A 75 18.765 17.345 3.307 1.00 0.00 C ATOM 1141 NH1 ARG A 75 17.700 16.636 3.060 1.00 0.00 N ATOM 1142 NH2 ARG A 75 18.751 18.106 4.365 1.00 0.00 N ATOM 0 H ARG A 75 23.572 14.414 -2.389 1.00 0.00 H new ATOM 0 HA ARG A 75 22.892 17.127 -1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.749 15.839 -1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.633 14.762 -0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 75 22.159 16.646 1.372 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.376 17.776 0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 75 19.198 16.656 0.619 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.951 15.412 1.597 1.00 0.00 H new ATOM 0 HE ARG A 75 20.610 17.912 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.672 16.025 2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 75 16.894 16.692 3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.566 18.675 4.595 1.00 0.00 H new ATOM 0 HH22 ARG A 75 17.925 18.133 4.963 1.00 0.00 H new ATOM 1156 N ALA A 76 24.614 17.097 0.094 1.00 0.00 N ATOM 1157 CA ALA A 76 25.812 17.209 0.930 1.00 0.00 C ATOM 1158 C ALA A 76 25.715 18.309 2.001 1.00 0.00 C ATOM 1159 O ALA A 76 24.927 19.249 1.884 1.00 0.00 O ATOM 1160 CB ALA A 76 26.998 17.446 -0.013 1.00 0.00 C ATOM 0 H ALA A 76 24.175 17.999 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 76 25.937 16.287 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 76 27.914 17.536 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 76 27.088 16.607 -0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.836 18.364 -0.578 1.00 0.00 H new ATOM 1166 N THR A 77 26.586 18.217 3.009 1.00 0.00 N ATOM 1167 CA THR A 77 26.786 19.237 4.053 1.00 0.00 C ATOM 1168 C THR A 77 28.196 19.808 3.903 1.00 0.00 C ATOM 1169 O THR A 77 29.168 19.053 3.811 1.00 0.00 O ATOM 1170 CB THR A 77 26.580 18.652 5.461 1.00 0.00 C ATOM 1171 OG1 THR A 77 25.291 18.081 5.565 1.00 0.00 O ATOM 1172 CG2 THR A 77 26.689 19.709 6.565 1.00 0.00 C ATOM 0 H THR A 77 27.193 17.406 3.129 1.00 0.00 H new ATOM 0 HA THR A 77 26.047 20.029 3.930 1.00 0.00 H new ATOM 0 HB THR A 77 27.367 17.910 5.596 1.00 0.00 H new ATOM 0 HG1 THR A 77 25.169 17.710 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 77 26.535 19.238 7.536 1.00 0.00 H new ATOM 0 HG22 THR A 77 27.679 20.165 6.536 1.00 0.00 H new ATOM 0 HG23 THR A 77 25.931 20.477 6.410 1.00 0.00 H new ATOM 1180 N GLY A 78 28.309 21.133 3.839 1.00 0.00 N ATOM 1181 CA GLY A 78 29.579 21.837 3.660 1.00 0.00 C ATOM 1182 C GLY A 78 30.311 22.178 4.965 1.00 0.00 C ATOM 1183 O GLY A 78 29.842 21.896 6.072 1.00 0.00 O ATOM 0 H GLY A 78 27.507 21.759 3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 78 30.234 21.225 3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 78 29.393 22.760 3.111 1.00 0.00 H new ATOM 1187 N GLU A 79 31.500 22.762 4.820 1.00 0.00 N ATOM 1188 CA GLU A 79 32.451 22.966 5.920 1.00 0.00 C ATOM 1189 C GLU A 79 32.216 24.221 6.791 1.00 0.00 C ATOM 1190 O GLU A 79 32.826 24.309 7.861 1.00 0.00 O ATOM 1191 CB GLU A 79 33.887 22.897 5.373 1.00 0.00 C ATOM 1192 CG GLU A 79 34.250 21.483 4.896 1.00 0.00 C ATOM 1193 CD GLU A 79 35.713 21.408 4.420 1.00 0.00 C ATOM 1194 OE1 GLU A 79 36.633 21.366 5.274 1.00 0.00 O ATOM 1195 OE2 GLU A 79 35.953 21.357 3.188 1.00 0.00 O ATOM 0 H GLU A 79 31.838 23.113 3.924 1.00 0.00 H new ATOM 0 HA GLU A 79 32.277 22.151 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 79 33.994 23.598 4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 79 34.586 23.209 6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 79 34.093 20.772 5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 79 33.586 21.190 4.083 1.00 0.00 H new ATOM 1202 N GLU A 80 31.322 25.152 6.425 1.00 0.00 N ATOM 1203 CA GLU A 80 30.893 26.250 7.314 1.00 0.00 C ATOM 1204 C GLU A 80 29.506 25.988 7.936 1.00 0.00 C ATOM 1205 O GLU A 80 28.942 26.847 8.622 1.00 0.00 O ATOM 1206 CB GLU A 80 30.858 27.567 6.548 1.00 0.00 C ATOM 1207 CG GLU A 80 32.179 27.959 5.888 1.00 0.00 C ATOM 1208 CD GLU A 80 33.173 28.574 6.894 1.00 0.00 C ATOM 1209 OE1 GLU A 80 33.863 27.828 7.632 1.00 0.00 O ATOM 1210 OE2 GLU A 80 33.267 29.825 6.965 1.00 0.00 O ATOM 0 H GLU A 80 30.875 25.168 5.508 1.00 0.00 H new ATOM 0 HA GLU A 80 31.621 26.307 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 80 30.088 27.503 5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 80 30.560 28.361 7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.628 27.079 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 80 31.985 28.674 5.088 1.00 0.00 H new ATOM 1217 N GLY A 81 28.948 24.798 7.703 1.00 0.00 N ATOM 1218 CA GLY A 81 27.661 24.326 8.226 1.00 0.00 C ATOM 1219 C GLY A 81 26.483 24.513 7.267 1.00 0.00 C ATOM 1220 O GLY A 81 25.325 24.478 7.690 1.00 0.00 O ATOM 0 H GLY A 81 29.404 24.101 7.114 1.00 0.00 H new ATOM 0 HA2 GLY A 81 27.749 23.268 8.473 1.00 0.00 H new ATOM 0 HA3 GLY A 81 27.445 24.853 9.155 1.00 0.00 H new ATOM 1224 N GLU A 82 26.754 24.728 5.980 1.00 0.00 N ATOM 1225 CA GLU A 82 25.778 24.869 4.907 1.00 0.00 C ATOM 1226 C GLU A 82 25.303 23.523 4.334 1.00 0.00 C ATOM 1227 O GLU A 82 25.853 22.465 4.642 1.00 0.00 O ATOM 1228 CB GLU A 82 26.382 25.774 3.819 1.00 0.00 C ATOM 1229 CG GLU A 82 27.420 25.160 2.858 1.00 0.00 C ATOM 1230 CD GLU A 82 28.879 25.140 3.369 1.00 0.00 C ATOM 1231 OE1 GLU A 82 29.110 25.042 4.595 1.00 0.00 O ATOM 1232 OE2 GLU A 82 29.800 25.133 2.521 1.00 0.00 O ATOM 0 H GLU A 82 27.713 24.813 5.643 1.00 0.00 H new ATOM 0 HA GLU A 82 24.878 25.327 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 82 25.562 26.166 3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.849 26.625 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 82 27.119 24.137 2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.391 25.714 1.920 1.00 0.00 H new ATOM 1239 N THR A 83 24.308 23.555 3.445 1.00 0.00 N ATOM 1240 CA THR A 83 23.764 22.380 2.745 1.00 0.00 C ATOM 1241 C THR A 83 23.714 22.638 1.236 1.00 0.00 C ATOM 1242 O THR A 83 23.309 23.706 0.774 1.00 0.00 O ATOM 1243 CB THR A 83 22.386 22.003 3.325 1.00 0.00 C ATOM 1244 OG1 THR A 83 22.561 21.396 4.587 1.00 0.00 O ATOM 1245 CG2 THR A 83 21.576 21.017 2.475 1.00 0.00 C ATOM 0 H THR A 83 23.842 24.423 3.182 1.00 0.00 H new ATOM 0 HA THR A 83 24.422 21.526 2.903 1.00 0.00 H new ATOM 0 HB THR A 83 21.832 22.941 3.366 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.686 21.157 4.959 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.623 20.813 2.964 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.394 21.449 1.491 1.00 0.00 H new ATOM 0 HG23 THR A 83 22.134 20.087 2.365 1.00 0.00 H new ATOM 1253 N VAL A 84 24.125 21.632 0.468 1.00 0.00 N ATOM 1254 CA VAL A 84 24.161 21.625 -1.004 1.00 0.00 C ATOM 1255 C VAL A 84 23.264 20.513 -1.531 1.00 0.00 C ATOM 1256 O VAL A 84 23.272 19.408 -0.993 1.00 0.00 O ATOM 1257 CB VAL A 84 25.608 21.470 -1.510 1.00 0.00 C ATOM 1258 CG1 VAL A 84 25.703 21.352 -3.035 1.00 0.00 C ATOM 1259 CG2 VAL A 84 26.442 22.682 -1.082 1.00 0.00 C ATOM 0 H VAL A 84 24.459 20.755 0.868 1.00 0.00 H new ATOM 0 HA VAL A 84 23.786 22.577 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 84 25.985 20.546 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 84 26.748 21.245 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 84 25.142 20.479 -3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 84 25.287 22.248 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 84 27.464 22.566 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 84 26.009 23.589 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 84 26.447 22.754 0.006 1.00 0.00 H new ATOM 1269 N LEU A 85 22.527 20.787 -2.606 1.00 0.00 N ATOM 1270 CA LEU A 85 21.688 19.814 -3.304 1.00 0.00 C ATOM 1271 C LEU A 85 21.934 19.906 -4.822 1.00 0.00 C ATOM 1272 O LEU A 85 22.287 20.955 -5.352 1.00 0.00 O ATOM 1273 CB LEU A 85 20.228 20.002 -2.825 1.00 0.00 C ATOM 1274 CG LEU A 85 19.248 18.861 -3.176 1.00 0.00 C ATOM 1275 CD1 LEU A 85 18.146 18.754 -2.126 1.00 0.00 C ATOM 1276 CD2 LEU A 85 18.550 19.047 -4.521 1.00 0.00 C ATOM 0 H LEU A 85 22.496 21.716 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 85 21.943 18.782 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 85 20.235 20.128 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.843 20.929 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 85 19.866 17.964 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 85 17.467 17.944 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 85 18.590 18.549 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 85 17.593 19.692 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.877 18.208 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.978 19.975 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.296 19.091 -5.315 1.00 0.00 H new ATOM 1288 N VAL A 86 21.792 18.783 -5.516 1.00 0.00 N ATOM 1289 CA VAL A 86 22.021 18.637 -6.967 1.00 0.00 C ATOM 1290 C VAL A 86 20.861 17.875 -7.587 1.00 0.00 C ATOM 1291 O VAL A 86 20.409 16.907 -6.986 1.00 0.00 O ATOM 1292 CB VAL A 86 23.346 17.905 -7.246 1.00 0.00 C ATOM 1293 CG1 VAL A 86 23.557 17.701 -8.746 1.00 0.00 C ATOM 1294 CG2 VAL A 86 24.545 18.695 -6.708 1.00 0.00 C ATOM 0 H VAL A 86 21.503 17.909 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 86 22.086 19.630 -7.412 1.00 0.00 H new ATOM 0 HB VAL A 86 23.279 16.941 -6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 86 24.501 17.182 -8.913 1.00 0.00 H new ATOM 0 HG12 VAL A 86 22.738 17.106 -9.151 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.583 18.670 -9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.465 18.151 -6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.582 19.672 -7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.442 18.824 -5.631 1.00 0.00 H new ATOM 1304 N GLU A 87 20.392 18.263 -8.776 1.00 0.00 N ATOM 1305 CA GLU A 87 19.266 17.604 -9.447 1.00 0.00 C ATOM 1306 C GLU A 87 19.558 17.279 -10.925 1.00 0.00 C ATOM 1307 O GLU A 87 20.154 18.068 -11.662 1.00 0.00 O ATOM 1308 CB GLU A 87 17.946 18.376 -9.231 1.00 0.00 C ATOM 1309 CG GLU A 87 17.703 18.647 -7.738 1.00 0.00 C ATOM 1310 CD GLU A 87 16.267 19.080 -7.398 1.00 0.00 C ATOM 1311 OE1 GLU A 87 15.358 18.215 -7.406 1.00 0.00 O ATOM 1312 OE2 GLU A 87 16.049 20.271 -7.066 1.00 0.00 O ATOM 0 H GLU A 87 20.783 19.045 -9.302 1.00 0.00 H new ATOM 0 HA GLU A 87 19.131 16.633 -8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.980 19.320 -9.775 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.114 17.802 -9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.941 17.745 -7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.392 19.423 -7.405 1.00 0.00 H new ATOM 1319 N GLU A 88 19.144 16.078 -11.332 1.00 0.00 N ATOM 1320 CA GLU A 88 19.403 15.458 -12.644 1.00 0.00 C ATOM 1321 C GLU A 88 18.134 14.776 -13.194 1.00 0.00 C ATOM 1322 O GLU A 88 17.345 14.276 -12.395 1.00 0.00 O ATOM 1323 CB GLU A 88 20.488 14.383 -12.461 1.00 0.00 C ATOM 1324 CG GLU A 88 21.940 14.822 -12.597 1.00 0.00 C ATOM 1325 CD GLU A 88 22.325 15.005 -14.061 1.00 0.00 C ATOM 1326 OE1 GLU A 88 21.891 16.000 -14.672 1.00 0.00 O ATOM 1327 OE2 GLU A 88 23.081 14.183 -14.623 1.00 0.00 O ATOM 0 H GLU A 88 18.588 15.474 -10.726 1.00 0.00 H new ATOM 0 HA GLU A 88 19.718 16.232 -13.344 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.361 13.941 -11.473 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.305 13.593 -13.189 1.00 0.00 H new ATOM 0 HG2 GLU A 88 22.092 15.757 -12.058 1.00 0.00 H new ATOM 0 HG3 GLU A 88 22.592 14.080 -12.137 1.00 0.00 H new ATOM 1334 N PRO A 89 17.922 14.672 -14.519 1.00 0.00 N ATOM 1335 CA PRO A 89 16.767 13.968 -15.086 1.00 0.00 C ATOM 1336 C PRO A 89 16.777 12.458 -14.765 1.00 0.00 C ATOM 1337 O PRO A 89 17.819 11.797 -14.854 1.00 0.00 O ATOM 1338 CB PRO A 89 16.831 14.236 -16.593 1.00 0.00 C ATOM 1339 CG PRO A 89 18.322 14.460 -16.852 1.00 0.00 C ATOM 1340 CD PRO A 89 18.789 15.158 -15.579 1.00 0.00 C ATOM 0 HA PRO A 89 15.835 14.329 -14.652 1.00 0.00 H new ATOM 0 HB2 PRO A 89 16.446 13.393 -17.167 1.00 0.00 H new ATOM 0 HB3 PRO A 89 16.240 15.108 -16.871 1.00 0.00 H new ATOM 0 HG2 PRO A 89 18.849 13.520 -17.014 1.00 0.00 H new ATOM 0 HG3 PRO A 89 18.490 15.076 -17.735 1.00 0.00 H new ATOM 0 HD2 PRO A 89 19.833 14.927 -15.367 1.00 0.00 H new ATOM 0 HD3 PRO A 89 18.716 16.241 -15.678 1.00 0.00 H new ATOM 1348 N ARG A 90 15.601 11.913 -14.417 1.00 0.00 N ATOM 1349 CA ARG A 90 15.362 10.487 -14.117 1.00 0.00 C ATOM 1350 C ARG A 90 14.911 9.696 -15.354 1.00 0.00 C ATOM 1351 O ARG A 90 13.936 10.109 -16.025 1.00 0.00 O ATOM 1352 CB ARG A 90 14.373 10.380 -12.945 1.00 0.00 C ATOM 1353 CG ARG A 90 14.145 8.950 -12.443 1.00 0.00 C ATOM 1354 CD ARG A 90 13.261 8.981 -11.191 1.00 0.00 C ATOM 1355 NE ARG A 90 11.843 9.305 -11.468 1.00 0.00 N ATOM 1356 CZ ARG A 90 10.887 9.393 -10.560 1.00 0.00 C ATOM 1357 NH1 ARG A 90 11.116 9.180 -9.295 1.00 0.00 N ATOM 1358 NH2 ARG A 90 9.670 9.706 -10.891 1.00 0.00 N ATOM 1359 OXT ARG A 90 15.543 8.656 -15.652 1.00 0.00 O ATOM 0 H ARG A 90 14.754 12.475 -14.333 1.00 0.00 H new ATOM 0 HA ARG A 90 16.303 10.024 -13.818 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.739 10.989 -12.119 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.416 10.802 -13.252 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.671 8.352 -13.221 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.100 8.477 -12.215 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.312 8.011 -10.697 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.662 9.716 -10.493 1.00 0.00 H new ATOM 0 HE ARG A 90 11.583 9.474 -12.440 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.055 8.937 -8.981 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.356 9.256 -8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.438 9.889 -11.867 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.947 9.769 -10.175 1.00 0.00 H new TER 1373 ARG A 90