USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 703 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 51 MET CE :methyl 135:sc= -1.41 (180deg=-4.33!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot -82:sc= -0.51! USER MOD Set 2.2: A 48 GLN : amide:sc= -7.48! C(o=-14!,f=-23!) USER MOD Set 2.3: A 75 MET CE :methyl -108:sc= -5.81! (180deg=-8.43!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= -0.077 (180deg=-0.582) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -3.1 K(o=-3.1,f=-9.6!) USER MOD Single : A 26 THR OG1 : rot 160:sc= -0.379 USER MOD Single : A 31 MET CE :methyl -122:sc= -0.0424 (180deg=-0.25) USER MOD Single : A 34 LYS NZ :NH3+ -146:sc= 0.393 (180deg=0.0921) USER MOD Single : A 36 GLN : amide:sc= -2.61 K(o=-2.6,f=-0.38) USER MOD Single : A 44 GLN : amide:sc= -3.45! C(o=-3.5!,f=-3.4!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.026 K(o=-0.026,f=-0.9) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -146:sc= -1.6 (180deg=-4.99!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.45 K(o=-1.5,f=-0.11) USER MOD Single : A 71 MET CE :methyl -113:sc= -1.44 (180deg=-1.82!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.063 USER MOD Single : A 76 MET CE :methyl 157:sc= -0.313 (180deg=-1.18) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.006 10.415 -14.895 1.00 0.00 N ATOM 2 CA GLY A 1 2.821 9.777 -15.443 1.00 0.00 C ATOM 3 C GLY A 1 1.742 10.812 -15.768 1.00 0.00 C ATOM 4 O GLY A 1 1.139 11.391 -14.865 1.00 0.00 O ATOM 0 H1 GLY A 1 4.723 9.692 -14.683 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.389 11.089 -15.588 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.755 10.921 -14.021 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.085 9.226 -16.346 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.431 9.052 -14.729 1.00 0.00 H new ATOM 8 N SER A 2 1.530 11.012 -17.060 1.00 0.00 N ATOM 9 CA SER A 2 0.534 11.967 -17.516 1.00 0.00 C ATOM 10 C SER A 2 -0.851 11.563 -17.005 1.00 0.00 C ATOM 11 O SER A 2 -1.457 12.281 -16.212 1.00 0.00 O ATOM 12 CB SER A 2 0.527 12.069 -19.043 1.00 0.00 C ATOM 13 OG SER A 2 0.633 13.419 -19.488 1.00 0.00 O ATOM 0 H SER A 2 2.031 10.529 -17.806 1.00 0.00 H new ATOM 0 HA SER A 2 0.791 12.947 -17.114 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.355 11.487 -19.449 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.392 11.630 -19.432 1.00 0.00 H new ATOM 0 HG SER A 2 0.627 13.442 -20.468 1.00 0.00 H new ATOM 19 N SER A 3 -1.310 10.415 -17.481 1.00 0.00 N ATOM 20 CA SER A 3 -2.611 9.907 -17.082 1.00 0.00 C ATOM 21 C SER A 3 -2.527 8.402 -16.818 1.00 0.00 C ATOM 22 O SER A 3 -2.776 7.949 -15.701 1.00 0.00 O ATOM 23 CB SER A 3 -3.668 10.200 -18.149 1.00 0.00 C ATOM 24 OG SER A 3 -3.850 11.599 -18.350 1.00 0.00 O ATOM 0 H SER A 3 -0.804 9.822 -18.139 1.00 0.00 H new ATOM 0 HA SER A 3 -2.909 10.415 -16.165 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.373 9.734 -19.089 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.616 9.750 -17.854 1.00 0.00 H new ATOM 0 HG SER A 3 -4.531 11.745 -19.039 1.00 0.00 H new ATOM 30 N GLY A 4 -2.176 7.669 -17.864 1.00 0.00 N ATOM 31 CA GLY A 4 -2.055 6.224 -17.758 1.00 0.00 C ATOM 32 C GLY A 4 -3.016 5.523 -18.721 1.00 0.00 C ATOM 33 O GLY A 4 -3.086 5.873 -19.898 1.00 0.00 O ATOM 0 H GLY A 4 -1.972 8.048 -18.789 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.030 5.924 -17.978 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.266 5.911 -16.735 1.00 0.00 H new ATOM 37 N SER A 5 -3.731 4.545 -18.185 1.00 0.00 N ATOM 38 CA SER A 5 -4.684 3.791 -18.982 1.00 0.00 C ATOM 39 C SER A 5 -5.924 3.467 -18.146 1.00 0.00 C ATOM 40 O SER A 5 -7.039 3.833 -18.516 1.00 0.00 O ATOM 41 CB SER A 5 -4.056 2.504 -19.520 1.00 0.00 C ATOM 42 OG SER A 5 -4.859 1.900 -20.530 1.00 0.00 O ATOM 0 H SER A 5 -3.670 4.257 -17.208 1.00 0.00 H new ATOM 0 HA SER A 5 -4.978 4.404 -19.834 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.069 2.724 -19.926 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.914 1.800 -18.700 1.00 0.00 H new ATOM 0 HG SER A 5 -4.423 1.082 -20.849 1.00 0.00 H new ATOM 48 N SER A 6 -5.689 2.784 -17.036 1.00 0.00 N ATOM 49 CA SER A 6 -6.773 2.407 -16.145 1.00 0.00 C ATOM 50 C SER A 6 -6.772 3.308 -14.908 1.00 0.00 C ATOM 51 O SER A 6 -7.656 4.148 -14.748 1.00 0.00 O ATOM 52 CB SER A 6 -6.660 0.938 -15.731 1.00 0.00 C ATOM 53 OG SER A 6 -6.320 0.098 -16.831 1.00 0.00 O ATOM 0 H SER A 6 -4.763 2.482 -16.733 1.00 0.00 H new ATOM 0 HA SER A 6 -7.714 2.535 -16.679 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.905 0.838 -14.952 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.606 0.608 -15.302 1.00 0.00 H new ATOM 0 HG SER A 6 -6.256 -0.831 -16.526 1.00 0.00 H new ATOM 59 N GLY A 7 -5.770 3.103 -14.067 1.00 0.00 N ATOM 60 CA GLY A 7 -5.642 3.887 -12.850 1.00 0.00 C ATOM 61 C GLY A 7 -6.870 3.711 -11.953 1.00 0.00 C ATOM 62 O GLY A 7 -7.996 3.650 -12.442 1.00 0.00 O ATOM 0 H GLY A 7 -5.039 2.405 -14.204 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.746 3.583 -12.310 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.520 4.940 -13.103 1.00 0.00 H new ATOM 66 N TYR A 8 -6.609 3.634 -10.656 1.00 0.00 N ATOM 67 CA TYR A 8 -7.679 3.466 -9.687 1.00 0.00 C ATOM 68 C TYR A 8 -7.394 4.263 -8.413 1.00 0.00 C ATOM 69 O TYR A 8 -6.307 4.816 -8.252 1.00 0.00 O ATOM 70 CB TYR A 8 -7.708 1.975 -9.345 1.00 0.00 C ATOM 71 CG TYR A 8 -8.124 1.077 -10.512 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.277 0.906 -11.588 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.347 0.438 -10.489 1.00 0.00 C ATOM 74 CE1 TYR A 8 -7.669 0.061 -12.686 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.739 -0.407 -11.587 1.00 0.00 C ATOM 76 CZ TYR A 8 -8.881 -0.554 -12.631 1.00 0.00 C ATOM 77 OH TYR A 8 -9.251 -1.352 -13.668 1.00 0.00 O ATOM 0 H TYR A 8 -5.673 3.685 -10.254 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.626 3.820 -10.095 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.719 1.672 -9.002 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.396 1.816 -8.515 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.320 1.406 -11.607 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.010 0.572 -9.647 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.016 -0.081 -13.534 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.693 -0.913 -11.581 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.140 -1.726 -13.492 1.00 0.00 H new ATOM 87 N SER A 9 -8.390 4.298 -7.539 1.00 0.00 N ATOM 88 CA SER A 9 -8.260 5.019 -6.285 1.00 0.00 C ATOM 89 C SER A 9 -8.749 4.146 -5.127 1.00 0.00 C ATOM 90 O SER A 9 -9.908 3.736 -5.100 1.00 0.00 O ATOM 91 CB SER A 9 -9.039 6.335 -6.322 1.00 0.00 C ATOM 92 OG SER A 9 -9.206 6.818 -7.652 1.00 0.00 O ATOM 0 H SER A 9 -9.290 3.838 -7.675 1.00 0.00 H new ATOM 0 HA SER A 9 -7.207 5.256 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.017 6.191 -5.863 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.515 7.083 -5.727 1.00 0.00 H new ATOM 0 HG SER A 9 -9.709 7.659 -7.634 1.00 0.00 H new ATOM 98 N VAL A 10 -7.840 3.888 -4.198 1.00 0.00 N ATOM 99 CA VAL A 10 -8.164 3.071 -3.041 1.00 0.00 C ATOM 100 C VAL A 10 -7.740 3.807 -1.768 1.00 0.00 C ATOM 101 O VAL A 10 -7.118 4.866 -1.837 1.00 0.00 O ATOM 102 CB VAL A 10 -7.517 1.691 -3.176 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.030 0.965 -4.421 1.00 0.00 C ATOM 104 CG2 VAL A 10 -5.991 1.800 -3.195 1.00 0.00 C ATOM 0 H VAL A 10 -6.879 4.230 -4.223 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.240 2.906 -2.980 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.800 1.102 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.555 -0.013 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.110 0.839 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.791 1.551 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.556 0.805 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.681 2.415 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.647 2.257 -2.267 1.00 0.00 H new ATOM 114 N THR A 11 -8.095 3.217 -0.636 1.00 0.00 N ATOM 115 CA THR A 11 -7.759 3.803 0.651 1.00 0.00 C ATOM 116 C THR A 11 -6.861 2.857 1.450 1.00 0.00 C ATOM 117 O THR A 11 -7.234 1.715 1.713 1.00 0.00 O ATOM 118 CB THR A 11 -9.066 4.151 1.367 1.00 0.00 C ATOM 119 OG1 THR A 11 -9.407 5.439 0.862 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.868 4.379 2.867 1.00 0.00 C ATOM 0 H THR A 11 -8.612 2.339 -0.583 1.00 0.00 H new ATOM 0 HA THR A 11 -7.183 4.721 0.530 1.00 0.00 H new ATOM 0 HB THR A 11 -9.789 3.349 1.214 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.244 5.740 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.825 4.623 3.327 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.466 3.474 3.323 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.171 5.203 3.021 1.00 0.00 H new ATOM 128 N VAL A 12 -5.694 3.368 1.814 1.00 0.00 N ATOM 129 CA VAL A 12 -4.739 2.583 2.578 1.00 0.00 C ATOM 130 C VAL A 12 -5.006 2.776 4.072 1.00 0.00 C ATOM 131 O VAL A 12 -5.060 3.906 4.555 1.00 0.00 O ATOM 132 CB VAL A 12 -3.311 2.956 2.173 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.301 2.467 3.212 1.00 0.00 C ATOM 134 CG2 VAL A 12 -2.976 2.411 0.783 1.00 0.00 C ATOM 0 H VAL A 12 -5.388 4.316 1.594 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.857 1.521 2.361 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.248 4.043 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.294 2.745 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.521 2.924 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.367 1.383 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.956 2.690 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.066 1.325 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.667 2.830 0.052 1.00 0.00 H new ATOM 144 N LYS A 13 -5.166 1.656 4.762 1.00 0.00 N ATOM 145 CA LYS A 13 -5.426 1.688 6.191 1.00 0.00 C ATOM 146 C LYS A 13 -4.310 0.944 6.925 1.00 0.00 C ATOM 147 O LYS A 13 -4.139 -0.261 6.745 1.00 0.00 O ATOM 148 CB LYS A 13 -6.826 1.150 6.493 1.00 0.00 C ATOM 149 CG LYS A 13 -7.663 2.188 7.243 1.00 0.00 C ATOM 150 CD LYS A 13 -8.501 1.528 8.340 1.00 0.00 C ATOM 151 CE LYS A 13 -9.944 1.319 7.877 1.00 0.00 C ATOM 152 NZ LYS A 13 -10.892 1.835 8.890 1.00 0.00 N ATOM 0 H LYS A 13 -5.121 0.721 4.358 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.419 2.715 6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.324 0.880 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.749 0.240 7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.008 2.939 7.684 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.318 2.707 6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.060 0.569 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.489 2.150 9.235 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.105 1.828 6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.127 0.258 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.867 1.686 8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.749 1.331 9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.727 2.852 9.034 1.00 0.00 H new ATOM 166 N TRP A 14 -3.577 1.692 7.737 1.00 0.00 N ATOM 167 CA TRP A 14 -2.482 1.117 8.499 1.00 0.00 C ATOM 168 C TRP A 14 -2.663 1.519 9.964 1.00 0.00 C ATOM 169 O TRP A 14 -2.335 2.640 10.349 1.00 0.00 O ATOM 170 CB TRP A 14 -1.130 1.547 7.925 1.00 0.00 C ATOM 171 CG TRP A 14 0.063 0.783 8.503 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.243 -0.543 8.563 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.242 1.359 9.105 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.447 -0.864 9.157 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.073 0.330 9.497 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.594 2.704 9.312 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.310 0.538 10.120 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.832 2.896 9.935 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.681 1.870 10.336 1.00 0.00 C ATOM 0 H TRP A 14 -3.720 2.691 7.884 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.495 0.029 8.432 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.146 1.411 6.844 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.990 2.612 8.110 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.465 -1.270 8.193 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.810 -1.804 9.317 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.959 3.525 9.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.943 -0.285 10.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.151 3.912 10.117 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.623 2.100 10.812 1.00 0.00 H new ATOM 190 N GLY A 15 -3.185 0.582 10.741 1.00 0.00 N ATOM 191 CA GLY A 15 -3.414 0.824 12.155 1.00 0.00 C ATOM 192 C GLY A 15 -3.872 2.263 12.398 1.00 0.00 C ATOM 193 O GLY A 15 -4.786 2.749 11.733 1.00 0.00 O ATOM 0 H GLY A 15 -3.456 -0.347 10.418 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.168 0.131 12.529 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.498 0.631 12.714 1.00 0.00 H new ATOM 197 N LYS A 16 -3.216 2.906 13.353 1.00 0.00 N ATOM 198 CA LYS A 16 -3.544 4.281 13.691 1.00 0.00 C ATOM 199 C LYS A 16 -3.395 5.158 12.446 1.00 0.00 C ATOM 200 O LYS A 16 -4.152 6.109 12.259 1.00 0.00 O ATOM 201 CB LYS A 16 -2.706 4.754 14.881 1.00 0.00 C ATOM 202 CG LYS A 16 -3.581 5.446 15.927 1.00 0.00 C ATOM 203 CD LYS A 16 -2.741 5.932 17.110 1.00 0.00 C ATOM 204 CE LYS A 16 -3.567 5.952 18.398 1.00 0.00 C ATOM 205 NZ LYS A 16 -3.929 4.575 18.803 1.00 0.00 N ATOM 0 H LYS A 16 -2.459 2.500 13.903 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.583 4.357 14.012 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.197 3.903 15.333 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.933 5.441 14.536 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.098 6.291 15.472 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.347 4.756 16.280 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.876 5.281 17.238 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.359 6.932 16.903 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.999 6.434 19.194 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.471 6.543 18.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.047 4.537 19.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.820 4.300 18.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.175 3.919 18.516 1.00 0.00 H new ATOM 219 N GLU A 17 -2.414 4.806 11.628 1.00 0.00 N ATOM 220 CA GLU A 17 -2.157 5.550 10.406 1.00 0.00 C ATOM 221 C GLU A 17 -3.326 5.392 9.432 1.00 0.00 C ATOM 222 O GLU A 17 -3.924 4.320 9.343 1.00 0.00 O ATOM 223 CB GLU A 17 -0.842 5.106 9.761 1.00 0.00 C ATOM 224 CG GLU A 17 0.333 5.302 10.721 1.00 0.00 C ATOM 225 CD GLU A 17 1.300 6.365 10.195 1.00 0.00 C ATOM 226 OE1 GLU A 17 0.809 7.291 9.514 1.00 0.00 O ATOM 227 OE2 GLU A 17 2.508 6.227 10.484 1.00 0.00 O ATOM 0 H GLU A 17 -1.788 4.016 11.787 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.062 6.606 10.660 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.910 4.057 9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.670 5.676 8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.040 5.598 11.702 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.861 4.358 10.852 1.00 0.00 H new ATOM 234 N LYS A 18 -3.617 6.475 8.727 1.00 0.00 N ATOM 235 CA LYS A 18 -4.705 6.470 7.763 1.00 0.00 C ATOM 236 C LYS A 18 -4.308 7.313 6.549 1.00 0.00 C ATOM 237 O LYS A 18 -3.845 8.442 6.698 1.00 0.00 O ATOM 238 CB LYS A 18 -6.009 6.920 8.424 1.00 0.00 C ATOM 239 CG LYS A 18 -7.115 7.109 7.384 1.00 0.00 C ATOM 240 CD LYS A 18 -8.429 6.488 7.861 1.00 0.00 C ATOM 241 CE LYS A 18 -9.037 7.303 9.004 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.220 6.611 9.562 1.00 0.00 N ATOM 0 H LYS A 18 -3.119 7.362 8.804 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.890 5.458 7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.321 6.180 9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.845 7.855 8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.260 8.172 7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.814 6.652 6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.134 6.437 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.253 5.465 8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.294 7.453 9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.323 8.291 8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.620 7.178 10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.935 6.490 8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.937 5.679 9.926 1.00 0.00 H new ATOM 256 N PHE A 19 -4.504 6.730 5.375 1.00 0.00 N ATOM 257 CA PHE A 19 -4.172 7.413 4.136 1.00 0.00 C ATOM 258 C PHE A 19 -5.323 7.317 3.132 1.00 0.00 C ATOM 259 O PHE A 19 -5.617 6.238 2.621 1.00 0.00 O ATOM 260 CB PHE A 19 -2.943 6.713 3.554 1.00 0.00 C ATOM 261 CG PHE A 19 -1.767 6.608 4.527 1.00 0.00 C ATOM 262 CD1 PHE A 19 -0.878 7.631 4.632 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.612 5.491 5.288 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.214 7.534 5.535 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.520 5.394 6.192 1.00 0.00 C ATOM 266 CZ PHE A 19 0.369 6.417 6.296 1.00 0.00 C ATOM 0 H PHE A 19 -4.888 5.793 5.256 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.983 8.468 4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.227 5.711 3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.618 7.252 2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.002 8.518 4.028 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.319 4.678 5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.921 8.346 5.617 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.396 4.508 6.796 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.199 6.343 6.983 1.00 0.00 H new ATOM 276 N GLU A 20 -5.943 8.461 2.880 1.00 0.00 N ATOM 277 CA GLU A 20 -7.054 8.519 1.946 1.00 0.00 C ATOM 278 C GLU A 20 -6.675 9.352 0.720 1.00 0.00 C ATOM 279 O GLU A 20 -6.295 10.515 0.848 1.00 0.00 O ATOM 280 CB GLU A 20 -8.308 9.078 2.621 1.00 0.00 C ATOM 281 CG GLU A 20 -8.671 8.263 3.864 1.00 0.00 C ATOM 282 CD GLU A 20 -10.122 8.515 4.282 1.00 0.00 C ATOM 283 OE1 GLU A 20 -10.347 9.542 4.958 1.00 0.00 O ATOM 284 OE2 GLU A 20 -10.972 7.676 3.914 1.00 0.00 O ATOM 0 H GLU A 20 -5.697 9.354 3.306 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.279 7.505 1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.142 10.119 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.140 9.065 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.526 7.202 3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.002 8.526 4.683 1.00 0.00 H new ATOM 291 N GLY A 21 -6.790 8.724 -0.441 1.00 0.00 N ATOM 292 CA GLY A 21 -6.463 9.392 -1.689 1.00 0.00 C ATOM 293 C GLY A 21 -5.121 8.904 -2.237 1.00 0.00 C ATOM 294 O GLY A 21 -4.271 9.709 -2.616 1.00 0.00 O ATOM 0 H GLY A 21 -7.105 7.759 -0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.248 9.206 -2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.425 10.470 -1.530 1.00 0.00 H new ATOM 298 N VAL A 22 -4.971 7.588 -2.263 1.00 0.00 N ATOM 299 CA VAL A 22 -3.747 6.983 -2.759 1.00 0.00 C ATOM 300 C VAL A 22 -3.920 6.628 -4.237 1.00 0.00 C ATOM 301 O VAL A 22 -5.012 6.256 -4.665 1.00 0.00 O ATOM 302 CB VAL A 22 -3.371 5.778 -1.894 1.00 0.00 C ATOM 303 CG1 VAL A 22 -2.096 5.109 -2.412 1.00 0.00 C ATOM 304 CG2 VAL A 22 -3.222 6.181 -0.426 1.00 0.00 C ATOM 0 H VAL A 22 -5.678 6.923 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.918 7.687 -2.690 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.181 5.052 -1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.850 4.256 -1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.254 4.769 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.275 5.825 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.955 5.306 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.440 6.935 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.165 6.590 -0.063 1.00 0.00 H new ATOM 314 N GLU A 23 -2.828 6.756 -4.975 1.00 0.00 N ATOM 315 CA GLU A 23 -2.846 6.453 -6.396 1.00 0.00 C ATOM 316 C GLU A 23 -2.476 4.987 -6.631 1.00 0.00 C ATOM 317 O GLU A 23 -1.484 4.499 -6.092 1.00 0.00 O ATOM 318 CB GLU A 23 -1.910 7.385 -7.168 1.00 0.00 C ATOM 319 CG GLU A 23 -2.604 8.707 -7.500 1.00 0.00 C ATOM 320 CD GLU A 23 -3.089 8.722 -8.952 1.00 0.00 C ATOM 321 OE1 GLU A 23 -2.214 8.656 -9.843 1.00 0.00 O ATOM 322 OE2 GLU A 23 -4.322 8.798 -9.137 1.00 0.00 O ATOM 0 H GLU A 23 -1.925 7.065 -4.616 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.857 6.617 -6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.015 7.579 -6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.585 6.899 -8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.450 8.857 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.915 9.535 -7.334 1.00 0.00 H new ATOM 329 N LEU A 24 -3.293 4.325 -7.437 1.00 0.00 N ATOM 330 CA LEU A 24 -3.064 2.925 -7.750 1.00 0.00 C ATOM 331 C LEU A 24 -3.346 2.686 -9.235 1.00 0.00 C ATOM 332 O LEU A 24 -4.320 3.205 -9.777 1.00 0.00 O ATOM 333 CB LEU A 24 -3.880 2.027 -6.817 1.00 0.00 C ATOM 334 CG LEU A 24 -4.224 0.637 -7.356 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.226 -0.408 -6.852 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.668 0.260 -7.019 1.00 0.00 C ATOM 0 H LEU A 24 -4.115 4.733 -7.883 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.021 2.662 -7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.327 1.907 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.810 2.540 -6.572 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.143 0.662 -8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.493 -1.387 -7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.222 -0.143 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.251 -0.439 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.887 -0.732 -7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.800 0.258 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.347 0.986 -7.466 1.00 0.00 H new ATOM 348 N ASN A 25 -2.475 1.900 -9.850 1.00 0.00 N ATOM 349 CA ASN A 25 -2.617 1.586 -11.262 1.00 0.00 C ATOM 350 C ASN A 25 -2.517 0.071 -11.456 1.00 0.00 C ATOM 351 O ASN A 25 -1.733 -0.594 -10.781 1.00 0.00 O ATOM 352 CB ASN A 25 -1.509 2.242 -12.087 1.00 0.00 C ATOM 353 CG ASN A 25 -1.984 2.530 -13.513 1.00 0.00 C ATOM 354 OD1 ASN A 25 -3.078 3.018 -13.744 1.00 0.00 O ATOM 355 ND2 ASN A 25 -1.102 2.201 -14.453 1.00 0.00 N ATOM 0 H ASN A 25 -1.668 1.471 -9.397 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.585 1.962 -11.595 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.197 3.171 -11.609 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.637 1.589 -12.115 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.324 2.354 -15.437 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.204 1.796 -14.190 1.00 0.00 H new ATOM 362 N THR A 26 -3.323 -0.429 -12.381 1.00 0.00 N ATOM 363 CA THR A 26 -3.335 -1.853 -12.672 1.00 0.00 C ATOM 364 C THR A 26 -2.427 -2.161 -13.864 1.00 0.00 C ATOM 365 O THR A 26 -1.942 -3.282 -14.007 1.00 0.00 O ATOM 366 CB THR A 26 -4.788 -2.279 -12.888 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.271 -1.375 -13.878 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.668 -2.001 -11.668 1.00 0.00 C ATOM 0 H THR A 26 -3.972 0.126 -12.939 1.00 0.00 H new ATOM 0 HA THR A 26 -2.933 -2.431 -11.840 1.00 0.00 H new ATOM 0 HB THR A 26 -4.823 -3.342 -13.125 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.065 -1.755 -14.308 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.689 -2.322 -11.875 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.282 -2.549 -10.809 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.661 -0.933 -11.450 1.00 0.00 H new ATOM 376 N ASP A 27 -2.224 -1.145 -14.691 1.00 0.00 N ATOM 377 CA ASP A 27 -1.384 -1.293 -15.867 1.00 0.00 C ATOM 378 C ASP A 27 -0.037 -1.890 -15.453 1.00 0.00 C ATOM 379 O ASP A 27 0.664 -2.478 -16.276 1.00 0.00 O ATOM 380 CB ASP A 27 -1.118 0.060 -16.528 1.00 0.00 C ATOM 381 CG ASP A 27 -0.789 -0.002 -18.021 1.00 0.00 C ATOM 382 OD1 ASP A 27 -1.652 -0.509 -18.771 1.00 0.00 O ATOM 383 OD2 ASP A 27 0.316 0.458 -18.379 1.00 0.00 O ATOM 0 H ASP A 27 -2.627 -0.216 -14.569 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.902 -1.943 -16.572 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.995 0.693 -16.391 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.291 0.544 -16.009 1.00 0.00 H new ATOM 388 N GLU A 28 0.284 -1.719 -14.179 1.00 0.00 N ATOM 389 CA GLU A 28 1.535 -2.233 -13.647 1.00 0.00 C ATOM 390 C GLU A 28 1.263 -3.373 -12.663 1.00 0.00 C ATOM 391 O GLU A 28 0.110 -3.675 -12.360 1.00 0.00 O ATOM 392 CB GLU A 28 2.348 -1.119 -12.985 1.00 0.00 C ATOM 393 CG GLU A 28 1.573 0.200 -12.984 1.00 0.00 C ATOM 394 CD GLU A 28 2.380 1.310 -12.309 1.00 0.00 C ATOM 395 OE1 GLU A 28 3.391 1.726 -12.915 1.00 0.00 O ATOM 396 OE2 GLU A 28 1.968 1.717 -11.201 1.00 0.00 O ATOM 0 H GLU A 28 -0.300 -1.232 -13.500 1.00 0.00 H new ATOM 0 HA GLU A 28 2.126 -2.626 -14.474 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.592 -1.402 -11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.292 -0.990 -13.514 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.338 0.488 -14.009 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.624 0.068 -12.464 1.00 0.00 H new ATOM 403 N PRO A 29 2.374 -3.990 -12.178 1.00 0.00 N ATOM 404 CA PRO A 29 2.267 -5.090 -11.235 1.00 0.00 C ATOM 405 C PRO A 29 1.899 -4.582 -9.839 1.00 0.00 C ATOM 406 O PRO A 29 1.861 -3.375 -9.605 1.00 0.00 O ATOM 407 CB PRO A 29 3.622 -5.778 -11.278 1.00 0.00 C ATOM 408 CG PRO A 29 4.582 -4.770 -11.888 1.00 0.00 C ATOM 409 CD PRO A 29 3.756 -3.659 -12.515 1.00 0.00 C ATOM 0 HA PRO A 29 1.471 -5.789 -11.493 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.944 -6.069 -10.278 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.579 -6.688 -11.876 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.247 -4.367 -11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.211 -5.248 -12.639 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.038 -2.684 -12.118 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.902 -3.618 -13.594 1.00 0.00 H new ATOM 417 N PRO A 30 1.630 -5.553 -8.926 1.00 0.00 N ATOM 418 CA PRO A 30 1.266 -5.216 -7.560 1.00 0.00 C ATOM 419 C PRO A 30 2.490 -4.758 -6.764 1.00 0.00 C ATOM 420 O PRO A 30 2.355 -4.230 -5.661 1.00 0.00 O ATOM 421 CB PRO A 30 0.631 -6.478 -7.000 1.00 0.00 C ATOM 422 CG PRO A 30 1.081 -7.610 -7.909 1.00 0.00 C ATOM 423 CD PRO A 30 1.665 -6.992 -9.169 1.00 0.00 C ATOM 0 HA PRO A 30 0.571 -4.378 -7.504 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.949 -6.652 -5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.456 -6.396 -6.987 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.825 -8.229 -7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.240 -8.258 -8.156 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.683 -7.339 -9.345 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.080 -7.259 -10.049 1.00 0.00 H new ATOM 431 N MET A 31 3.656 -4.977 -7.354 1.00 0.00 N ATOM 432 CA MET A 31 4.903 -4.593 -6.714 1.00 0.00 C ATOM 433 C MET A 31 5.008 -3.072 -6.586 1.00 0.00 C ATOM 434 O MET A 31 5.529 -2.563 -5.595 1.00 0.00 O ATOM 435 CB MET A 31 6.082 -5.120 -7.534 1.00 0.00 C ATOM 436 CG MET A 31 5.910 -6.607 -7.848 1.00 0.00 C ATOM 437 SD MET A 31 7.456 -7.465 -7.600 1.00 0.00 S ATOM 438 CE MET A 31 7.539 -7.446 -5.817 1.00 0.00 C ATOM 0 H MET A 31 3.764 -5.416 -8.269 1.00 0.00 H new ATOM 0 HA MET A 31 4.924 -5.025 -5.713 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.165 -4.556 -8.463 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.010 -4.966 -6.984 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.140 -7.036 -7.207 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.575 -6.734 -8.878 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.456 -6.949 -5.501 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.679 -6.908 -5.418 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.533 -8.469 -5.442 1.00 0.00 H new ATOM 448 N VAL A 32 4.505 -2.388 -7.604 1.00 0.00 N ATOM 449 CA VAL A 32 4.536 -0.936 -7.618 1.00 0.00 C ATOM 450 C VAL A 32 3.688 -0.401 -6.462 1.00 0.00 C ATOM 451 O VAL A 32 4.186 0.334 -5.611 1.00 0.00 O ATOM 452 CB VAL A 32 4.082 -0.416 -8.983 1.00 0.00 C ATOM 453 CG1 VAL A 32 4.171 1.110 -9.046 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.890 -1.060 -10.112 1.00 0.00 C ATOM 0 H VAL A 32 4.074 -2.813 -8.425 1.00 0.00 H new ATOM 0 HA VAL A 32 5.553 -0.574 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 32 3.037 -0.696 -9.117 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.843 1.453 -10.027 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.532 1.544 -8.277 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.202 1.422 -8.879 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.547 -0.673 -11.071 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.947 -0.825 -9.983 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.753 -2.141 -10.087 1.00 0.00 H new ATOM 464 N PHE A 33 2.421 -0.790 -6.470 1.00 0.00 N ATOM 465 CA PHE A 33 1.499 -0.358 -5.433 1.00 0.00 C ATOM 466 C PHE A 33 2.068 -0.643 -4.041 1.00 0.00 C ATOM 467 O PHE A 33 1.788 0.087 -3.091 1.00 0.00 O ATOM 468 CB PHE A 33 0.210 -1.161 -5.618 1.00 0.00 C ATOM 469 CG PHE A 33 -0.901 -0.790 -4.634 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.511 0.422 -4.722 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.278 -1.673 -3.670 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.542 0.766 -3.809 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.309 -1.328 -2.757 1.00 0.00 C ATOM 474 CZ PHE A 33 -2.919 -0.116 -2.845 1.00 0.00 C ATOM 0 H PHE A 33 2.012 -1.399 -7.178 1.00 0.00 H new ATOM 0 HA PHE A 33 1.325 0.715 -5.513 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.155 -1.014 -6.634 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.436 -2.222 -5.511 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.211 1.123 -5.487 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.793 -2.636 -3.599 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.027 1.728 -3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.609 -2.029 -1.992 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.703 0.146 -2.150 1.00 0.00 H new ATOM 484 N LYS A 34 2.855 -1.706 -3.964 1.00 0.00 N ATOM 485 CA LYS A 34 3.465 -2.096 -2.705 1.00 0.00 C ATOM 486 C LYS A 34 4.720 -1.254 -2.468 1.00 0.00 C ATOM 487 O LYS A 34 5.115 -1.030 -1.325 1.00 0.00 O ATOM 488 CB LYS A 34 3.722 -3.604 -2.678 1.00 0.00 C ATOM 489 CG LYS A 34 2.410 -4.383 -2.562 1.00 0.00 C ATOM 490 CD LYS A 34 2.671 -5.846 -2.199 1.00 0.00 C ATOM 491 CE LYS A 34 1.368 -6.647 -2.180 1.00 0.00 C ATOM 492 NZ LYS A 34 1.599 -7.999 -1.626 1.00 0.00 N ATOM 0 H LYS A 34 3.084 -2.309 -4.754 1.00 0.00 H new ATOM 0 HA LYS A 34 2.786 -1.897 -1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.247 -3.903 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.371 -3.851 -1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.776 -3.924 -1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.867 -4.330 -3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.362 -6.285 -2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.151 -5.902 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.622 -6.125 -1.581 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.968 -6.725 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.975 -8.681 -2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.591 -8.272 -1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.394 -7.996 -0.606 1.00 0.00 H new ATOM 506 N ALA A 35 5.311 -0.809 -3.567 1.00 0.00 N ATOM 507 CA ALA A 35 6.513 0.004 -3.494 1.00 0.00 C ATOM 508 C ALA A 35 6.151 1.396 -2.972 1.00 0.00 C ATOM 509 O ALA A 35 6.980 2.069 -2.361 1.00 0.00 O ATOM 510 CB ALA A 35 7.182 0.052 -4.869 1.00 0.00 C ATOM 0 H ALA A 35 4.980 -0.996 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 35 7.230 -0.433 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.084 0.662 -4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.446 -0.959 -5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.494 0.487 -5.594 1.00 0.00 H new ATOM 516 N GLN A 36 4.912 1.787 -3.233 1.00 0.00 N ATOM 517 CA GLN A 36 4.430 3.087 -2.798 1.00 0.00 C ATOM 518 C GLN A 36 4.037 3.040 -1.320 1.00 0.00 C ATOM 519 O GLN A 36 4.381 3.938 -0.554 1.00 0.00 O ATOM 520 CB GLN A 36 3.258 3.554 -3.662 1.00 0.00 C ATOM 521 CG GLN A 36 2.634 4.832 -3.096 1.00 0.00 C ATOM 522 CD GLN A 36 1.226 5.048 -3.653 1.00 0.00 C ATOM 523 OE1 GLN A 36 0.901 6.086 -4.206 1.00 0.00 O ATOM 524 NE2 GLN A 36 0.410 4.013 -3.477 1.00 0.00 N ATOM 0 H GLN A 36 4.227 1.226 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 36 5.237 3.810 -2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.601 3.733 -4.681 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.504 2.769 -3.713 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.593 4.770 -2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.262 5.688 -3.343 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.746 3.173 -3.006 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.552 4.059 -3.813 1.00 0.00 H new ATOM 533 N LEU A 37 3.323 1.982 -0.964 1.00 0.00 N ATOM 534 CA LEU A 37 2.880 1.806 0.409 1.00 0.00 C ATOM 535 C LEU A 37 4.090 1.866 1.342 1.00 0.00 C ATOM 536 O LEU A 37 3.979 2.319 2.481 1.00 0.00 O ATOM 537 CB LEU A 37 2.060 0.522 0.546 1.00 0.00 C ATOM 538 CG LEU A 37 0.695 0.520 -0.145 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.300 -0.364 0.609 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.171 1.946 -0.329 1.00 0.00 C ATOM 0 H LEU A 37 3.040 1.238 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 37 2.212 2.616 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.648 -0.305 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.908 0.323 1.607 1.00 0.00 H new ATOM 0 HG LEU A 37 0.816 0.091 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.262 -0.348 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.075 -1.387 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.423 0.012 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.800 1.916 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.069 2.425 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.871 2.515 -0.941 1.00 0.00 H new ATOM 552 N PHE A 38 5.219 1.403 0.826 1.00 0.00 N ATOM 553 CA PHE A 38 6.449 1.398 1.600 1.00 0.00 C ATOM 554 C PHE A 38 6.808 2.810 2.068 1.00 0.00 C ATOM 555 O PHE A 38 7.356 2.987 3.155 1.00 0.00 O ATOM 556 CB PHE A 38 7.555 0.882 0.678 1.00 0.00 C ATOM 557 CG PHE A 38 8.932 0.801 1.342 1.00 0.00 C ATOM 558 CD1 PHE A 38 9.037 0.854 2.697 1.00 0.00 C ATOM 559 CD2 PHE A 38 10.049 0.675 0.577 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.314 0.779 3.313 1.00 0.00 C ATOM 561 CE2 PHE A 38 11.326 0.599 1.193 1.00 0.00 C ATOM 562 CZ PHE A 38 11.432 0.653 2.548 1.00 0.00 C ATOM 0 H PHE A 38 5.308 1.029 -0.119 1.00 0.00 H new ATOM 0 HA PHE A 38 6.330 0.771 2.484 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.279 -0.108 0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.621 1.534 -0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.149 0.953 3.304 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.965 0.633 -0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.398 0.822 4.389 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.213 0.498 0.586 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.403 0.596 3.016 1.00 0.00 H new ATOM 572 N ALA A 39 6.485 3.778 1.223 1.00 0.00 N ATOM 573 CA ALA A 39 6.767 5.169 1.536 1.00 0.00 C ATOM 574 C ALA A 39 5.557 5.783 2.245 1.00 0.00 C ATOM 575 O ALA A 39 5.640 6.889 2.775 1.00 0.00 O ATOM 576 CB ALA A 39 7.133 5.917 0.253 1.00 0.00 C ATOM 0 H ALA A 39 6.031 3.627 0.322 1.00 0.00 H new ATOM 0 HA ALA A 39 7.619 5.246 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.344 6.960 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.015 5.460 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.301 5.865 -0.449 1.00 0.00 H new ATOM 582 N LEU A 40 4.462 5.037 2.231 1.00 0.00 N ATOM 583 CA LEU A 40 3.238 5.494 2.865 1.00 0.00 C ATOM 584 C LEU A 40 3.331 5.259 4.374 1.00 0.00 C ATOM 585 O LEU A 40 3.024 6.149 5.165 1.00 0.00 O ATOM 586 CB LEU A 40 2.019 4.836 2.214 1.00 0.00 C ATOM 587 CG LEU A 40 1.745 5.222 0.759 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.268 5.031 0.410 1.00 0.00 C ATOM 589 CD2 LEU A 40 2.222 6.647 0.471 1.00 0.00 C ATOM 0 H LEU A 40 4.397 4.119 1.790 1.00 0.00 H new ATOM 0 HA LEU A 40 3.110 6.566 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.145 3.754 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.138 5.083 2.807 1.00 0.00 H new ATOM 0 HG LEU A 40 2.317 4.554 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.100 5.312 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.007 3.986 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.343 5.658 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.016 6.896 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.697 7.345 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.294 6.716 0.655 1.00 0.00 H new ATOM 601 N THR A 41 3.757 4.055 4.727 1.00 0.00 N ATOM 602 CA THR A 41 3.895 3.691 6.127 1.00 0.00 C ATOM 603 C THR A 41 5.371 3.513 6.489 1.00 0.00 C ATOM 604 O THR A 41 5.919 4.286 7.273 1.00 0.00 O ATOM 605 CB THR A 41 3.053 2.438 6.375 1.00 0.00 C ATOM 606 OG1 THR A 41 3.735 1.413 5.657 1.00 0.00 O ATOM 607 CG2 THR A 41 1.680 2.512 5.705 1.00 0.00 C ATOM 0 H THR A 41 4.011 3.319 4.068 1.00 0.00 H new ATOM 0 HA THR A 41 3.526 4.482 6.780 1.00 0.00 H new ATOM 0 HB THR A 41 2.925 2.294 7.448 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.480 1.450 4.712 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.124 1.598 5.913 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.130 3.368 6.096 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.806 2.623 4.628 1.00 0.00 H new ATOM 615 N GLY A 42 5.972 2.489 5.900 1.00 0.00 N ATOM 616 CA GLY A 42 7.374 2.200 6.150 1.00 0.00 C ATOM 617 C GLY A 42 7.661 0.705 5.995 1.00 0.00 C ATOM 618 O GLY A 42 8.809 0.307 5.805 1.00 0.00 O ATOM 0 H GLY A 42 5.514 1.850 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.995 2.767 5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.642 2.523 7.156 1.00 0.00 H new ATOM 622 N VAL A 43 6.598 -0.081 6.083 1.00 0.00 N ATOM 623 CA VAL A 43 6.722 -1.523 5.955 1.00 0.00 C ATOM 624 C VAL A 43 7.122 -1.871 4.519 1.00 0.00 C ATOM 625 O VAL A 43 6.660 -1.238 3.572 1.00 0.00 O ATOM 626 CB VAL A 43 5.423 -2.201 6.394 1.00 0.00 C ATOM 627 CG1 VAL A 43 5.560 -3.724 6.358 1.00 0.00 C ATOM 628 CG2 VAL A 43 4.996 -1.721 7.783 1.00 0.00 C ATOM 0 H VAL A 43 5.647 0.253 6.241 1.00 0.00 H new ATOM 0 HA VAL A 43 7.507 -1.898 6.611 1.00 0.00 H new ATOM 0 HB VAL A 43 4.642 -1.918 5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.623 -4.181 6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.795 -4.044 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.360 -4.033 7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.070 -2.218 8.071 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.776 -1.959 8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.838 -0.643 7.763 1.00 0.00 H new ATOM 638 N GLN A 44 7.977 -2.877 4.404 1.00 0.00 N ATOM 639 CA GLN A 44 8.445 -3.316 3.101 1.00 0.00 C ATOM 640 C GLN A 44 7.283 -3.890 2.286 1.00 0.00 C ATOM 641 O GLN A 44 6.280 -4.323 2.850 1.00 0.00 O ATOM 642 CB GLN A 44 9.575 -4.338 3.239 1.00 0.00 C ATOM 643 CG GLN A 44 10.814 -3.702 3.873 1.00 0.00 C ATOM 644 CD GLN A 44 11.635 -2.942 2.829 1.00 0.00 C ATOM 645 OE1 GLN A 44 11.723 -3.323 1.674 1.00 0.00 O ATOM 646 NE2 GLN A 44 12.229 -1.849 3.299 1.00 0.00 N ATOM 0 H GLN A 44 8.358 -3.400 5.192 1.00 0.00 H new ATOM 0 HA GLN A 44 8.845 -2.452 2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.239 -5.177 3.849 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.829 -4.739 2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.511 -3.021 4.669 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.430 -4.475 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.114 -1.587 4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.800 -1.273 2.681 1.00 0.00 H new ATOM 655 N PRO A 45 7.464 -3.874 0.938 1.00 0.00 N ATOM 656 CA PRO A 45 6.443 -4.387 0.041 1.00 0.00 C ATOM 657 C PRO A 45 6.420 -5.917 0.054 1.00 0.00 C ATOM 658 O PRO A 45 5.632 -6.536 -0.659 1.00 0.00 O ATOM 659 CB PRO A 45 6.791 -3.811 -1.322 1.00 0.00 C ATOM 660 CG PRO A 45 8.246 -3.379 -1.232 1.00 0.00 C ATOM 661 CD PRO A 45 8.639 -3.369 0.236 1.00 0.00 C ATOM 0 HA PRO A 45 5.436 -4.093 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.652 -4.554 -2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.147 -2.966 -1.565 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.883 -4.063 -1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.378 -2.389 -1.669 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.510 -3.999 0.417 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.898 -2.364 0.570 1.00 0.00 H new ATOM 669 N ALA A 46 7.294 -6.483 0.874 1.00 0.00 N ATOM 670 CA ALA A 46 7.383 -7.929 0.990 1.00 0.00 C ATOM 671 C ALA A 46 6.654 -8.381 2.257 1.00 0.00 C ATOM 672 O ALA A 46 6.125 -9.490 2.311 1.00 0.00 O ATOM 673 CB ALA A 46 8.854 -8.351 0.982 1.00 0.00 C ATOM 0 H ALA A 46 7.946 -5.967 1.464 1.00 0.00 H new ATOM 0 HA ALA A 46 6.899 -8.413 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.922 -9.435 1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.319 -8.032 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.370 -7.887 1.822 1.00 0.00 H new ATOM 679 N ARG A 47 6.650 -7.499 3.246 1.00 0.00 N ATOM 680 CA ARG A 47 5.995 -7.793 4.509 1.00 0.00 C ATOM 681 C ARG A 47 4.598 -7.168 4.540 1.00 0.00 C ATOM 682 O ARG A 47 3.691 -7.700 5.178 1.00 0.00 O ATOM 683 CB ARG A 47 6.810 -7.262 5.689 1.00 0.00 C ATOM 684 CG ARG A 47 8.306 -7.497 5.472 1.00 0.00 C ATOM 685 CD ARG A 47 8.964 -8.053 6.737 1.00 0.00 C ATOM 686 NE ARG A 47 10.419 -8.215 6.522 1.00 0.00 N ATOM 687 CZ ARG A 47 11.211 -8.980 7.286 1.00 0.00 C ATOM 688 NH1 ARG A 47 10.693 -9.658 8.319 1.00 0.00 N ATOM 689 NH2 ARG A 47 12.520 -9.067 7.016 1.00 0.00 N ATOM 0 H ARG A 47 7.090 -6.580 3.198 1.00 0.00 H new ATOM 0 HA ARG A 47 5.914 -8.876 4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.620 -6.196 5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.490 -7.755 6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.452 -8.193 4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.787 -6.561 5.189 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.785 -7.380 7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.518 -9.013 6.997 1.00 0.00 H new ATOM 0 HE ARG A 47 10.846 -7.713 5.744 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.696 -9.592 8.524 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.296 -10.240 8.901 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.914 -8.551 6.229 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.123 -9.649 7.597 1.00 0.00 H new ATOM 703 N GLN A 48 4.470 -6.048 3.844 1.00 0.00 N ATOM 704 CA GLN A 48 3.200 -5.346 3.784 1.00 0.00 C ATOM 705 C GLN A 48 2.094 -6.287 3.301 1.00 0.00 C ATOM 706 O GLN A 48 1.956 -6.525 2.103 1.00 0.00 O ATOM 707 CB GLN A 48 3.298 -4.110 2.888 1.00 0.00 C ATOM 708 CG GLN A 48 3.868 -2.917 3.658 1.00 0.00 C ATOM 709 CD GLN A 48 3.986 -1.687 2.755 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.328 -0.678 2.948 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.860 -1.828 1.763 1.00 0.00 N ATOM 0 H GLN A 48 5.225 -5.610 3.317 1.00 0.00 H new ATOM 0 HA GLN A 48 2.948 -5.007 4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.932 -4.329 2.029 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.311 -3.859 2.500 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.226 -2.688 4.508 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.849 -3.173 4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.378 -2.701 1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.013 -1.063 1.105 1.00 0.00 H new ATOM 720 N LYS A 49 1.335 -6.798 4.260 1.00 0.00 N ATOM 721 CA LYS A 49 0.247 -7.708 3.947 1.00 0.00 C ATOM 722 C LYS A 49 -0.926 -6.913 3.369 1.00 0.00 C ATOM 723 O LYS A 49 -1.766 -6.409 4.113 1.00 0.00 O ATOM 724 CB LYS A 49 -0.122 -8.543 5.175 1.00 0.00 C ATOM 725 CG LYS A 49 -0.830 -9.836 4.765 1.00 0.00 C ATOM 726 CD LYS A 49 -1.726 -10.352 5.893 1.00 0.00 C ATOM 727 CE LYS A 49 -2.695 -11.418 5.380 1.00 0.00 C ATOM 728 NZ LYS A 49 -2.139 -12.772 5.599 1.00 0.00 N ATOM 0 H LYS A 49 1.452 -6.599 5.253 1.00 0.00 H new ATOM 0 HA LYS A 49 0.555 -8.423 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.778 -8.781 5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.769 -7.963 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.429 -9.659 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.090 -10.594 4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.110 -10.769 6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.287 -9.523 6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.653 -11.324 5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.885 -11.264 4.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.809 -13.484 5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.236 -12.863 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.980 -12.922 6.616 1.00 0.00 H new ATOM 742 N VAL A 50 -0.946 -6.827 2.047 1.00 0.00 N ATOM 743 CA VAL A 50 -2.002 -6.103 1.360 1.00 0.00 C ATOM 744 C VAL A 50 -3.161 -7.057 1.067 1.00 0.00 C ATOM 745 O VAL A 50 -3.098 -7.844 0.124 1.00 0.00 O ATOM 746 CB VAL A 50 -1.445 -5.434 0.102 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.527 -4.620 -0.611 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.234 -4.561 0.436 1.00 0.00 C ATOM 0 H VAL A 50 -0.248 -7.247 1.433 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.391 -5.304 1.991 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.115 -6.220 -0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.105 -4.155 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.347 -5.278 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.901 -3.846 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.143 -4.097 -0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.529 -3.785 1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.548 -5.178 0.879 1.00 0.00 H new ATOM 758 N MET A 51 -4.193 -6.955 1.892 1.00 0.00 N ATOM 759 CA MET A 51 -5.365 -7.799 1.732 1.00 0.00 C ATOM 760 C MET A 51 -6.268 -7.279 0.612 1.00 0.00 C ATOM 761 O MET A 51 -6.055 -6.181 0.098 1.00 0.00 O ATOM 762 CB MET A 51 -6.150 -7.837 3.045 1.00 0.00 C ATOM 763 CG MET A 51 -5.704 -9.012 3.917 1.00 0.00 C ATOM 764 SD MET A 51 -7.057 -10.156 4.138 1.00 0.00 S ATOM 765 CE MET A 51 -7.156 -10.840 2.492 1.00 0.00 C ATOM 0 H MET A 51 -4.242 -6.301 2.673 1.00 0.00 H new ATOM 0 HA MET A 51 -5.033 -8.803 1.468 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.005 -6.902 3.587 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.216 -7.921 2.833 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.859 -9.520 3.452 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.363 -8.648 4.886 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.257 -11.924 2.554 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.021 -10.423 1.976 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.250 -10.591 1.940 1.00 0.00 H new ATOM 775 N VAL A 52 -7.256 -8.091 0.266 1.00 0.00 N ATOM 776 CA VAL A 52 -8.191 -7.726 -0.784 1.00 0.00 C ATOM 777 C VAL A 52 -9.614 -8.061 -0.332 1.00 0.00 C ATOM 778 O VAL A 52 -9.811 -8.922 0.524 1.00 0.00 O ATOM 779 CB VAL A 52 -7.802 -8.414 -2.094 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.626 -7.871 -3.264 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.303 -8.269 -2.365 1.00 0.00 C ATOM 0 H VAL A 52 -7.429 -9.000 0.694 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.154 -6.653 -0.973 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.023 -9.477 -1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.330 -8.377 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.685 -8.049 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.451 -6.800 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.053 -8.767 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.047 -7.212 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.740 -8.725 -1.550 1.00 0.00 H new ATOM 791 N LYS A 53 -10.570 -7.363 -0.928 1.00 0.00 N ATOM 792 CA LYS A 53 -11.969 -7.576 -0.598 1.00 0.00 C ATOM 793 C LYS A 53 -12.187 -9.049 -0.247 1.00 0.00 C ATOM 794 O LYS A 53 -12.924 -9.366 0.686 1.00 0.00 O ATOM 795 CB LYS A 53 -12.869 -7.074 -1.729 1.00 0.00 C ATOM 796 CG LYS A 53 -12.775 -5.553 -1.870 1.00 0.00 C ATOM 797 CD LYS A 53 -14.101 -4.885 -1.502 1.00 0.00 C ATOM 798 CE LYS A 53 -14.009 -4.199 -0.137 1.00 0.00 C ATOM 799 NZ LYS A 53 -14.625 -2.854 -0.191 1.00 0.00 N ATOM 0 H LYS A 53 -10.403 -6.649 -1.638 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.246 -6.994 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.580 -7.548 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.902 -7.361 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.981 -5.173 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.506 -5.295 -2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.367 -4.152 -2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.896 -5.631 -1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.511 -4.806 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.965 -4.116 0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.554 -2.402 0.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.128 -2.273 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.626 -2.941 -0.458 1.00 0.00 H new ATOM 813 N GLY A 54 -11.533 -9.910 -1.012 1.00 0.00 N ATOM 814 CA GLY A 54 -11.646 -11.342 -0.794 1.00 0.00 C ATOM 815 C GLY A 54 -10.449 -12.084 -1.391 1.00 0.00 C ATOM 816 O GLY A 54 -10.614 -13.122 -2.031 1.00 0.00 O ATOM 0 H GLY A 54 -10.922 -9.643 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.709 -11.547 0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.568 -11.710 -1.244 1.00 0.00 H new ATOM 820 N GLY A 55 -9.271 -11.524 -1.161 1.00 0.00 N ATOM 821 CA GLY A 55 -8.047 -12.119 -1.668 1.00 0.00 C ATOM 822 C GLY A 55 -6.819 -11.346 -1.184 1.00 0.00 C ATOM 823 O GLY A 55 -6.925 -10.495 -0.302 1.00 0.00 O ATOM 0 H GLY A 55 -9.138 -10.664 -0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.980 -13.156 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.068 -12.130 -2.758 1.00 0.00 H new ATOM 827 N THR A 56 -5.682 -11.668 -1.783 1.00 0.00 N ATOM 828 CA THR A 56 -4.435 -11.014 -1.424 1.00 0.00 C ATOM 829 C THR A 56 -3.750 -10.451 -2.671 1.00 0.00 C ATOM 830 O THR A 56 -3.776 -11.073 -3.732 1.00 0.00 O ATOM 831 CB THR A 56 -3.575 -12.023 -0.661 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.408 -12.448 0.414 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.379 -11.367 0.032 1.00 0.00 C ATOM 0 H THR A 56 -5.598 -12.373 -2.515 1.00 0.00 H new ATOM 0 HA THR A 56 -4.610 -10.157 -0.773 1.00 0.00 H new ATOM 0 HB THR A 56 -3.220 -12.790 -1.349 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.928 -13.106 0.959 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.802 -12.127 0.559 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.747 -10.883 -0.713 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.735 -10.623 0.745 1.00 0.00 H new ATOM 841 N LEU A 57 -3.153 -9.281 -2.501 1.00 0.00 N ATOM 842 CA LEU A 57 -2.462 -8.627 -3.599 1.00 0.00 C ATOM 843 C LEU A 57 -1.262 -9.477 -4.019 1.00 0.00 C ATOM 844 O LEU A 57 -0.383 -9.763 -3.207 1.00 0.00 O ATOM 845 CB LEU A 57 -2.095 -7.190 -3.222 1.00 0.00 C ATOM 846 CG LEU A 57 -2.575 -6.101 -4.184 1.00 0.00 C ATOM 847 CD1 LEU A 57 -1.783 -4.807 -3.986 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.523 -6.588 -5.633 1.00 0.00 C ATOM 0 H LEU A 57 -3.133 -8.769 -1.619 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.117 -8.547 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.503 -6.979 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.010 -7.123 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.617 -5.879 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.144 -4.049 -4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.914 -4.453 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.726 -4.996 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.869 -5.795 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.498 -6.855 -5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.165 -7.462 -5.746 1.00 0.00 H new ATOM 860 N LYS A 58 -1.263 -9.859 -5.288 1.00 0.00 N ATOM 861 CA LYS A 58 -0.185 -10.671 -5.826 1.00 0.00 C ATOM 862 C LYS A 58 1.112 -9.860 -5.819 1.00 0.00 C ATOM 863 O LYS A 58 1.158 -8.761 -5.269 1.00 0.00 O ATOM 864 CB LYS A 58 -0.561 -11.216 -7.205 1.00 0.00 C ATOM 865 CG LYS A 58 -1.602 -12.332 -7.088 1.00 0.00 C ATOM 866 CD LYS A 58 -1.828 -13.015 -8.439 1.00 0.00 C ATOM 867 CE LYS A 58 -3.172 -13.744 -8.466 1.00 0.00 C ATOM 868 NZ LYS A 58 -3.114 -14.971 -7.641 1.00 0.00 N ATOM 0 H LYS A 58 -1.993 -9.621 -5.959 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.018 -11.546 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.955 -10.410 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.330 -11.596 -7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.271 -13.068 -6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.543 -11.920 -6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.797 -12.272 -9.236 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.022 -13.723 -8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.957 -13.086 -8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.432 -14.001 -9.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.035 -15.453 -7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.379 -15.605 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.887 -14.718 -6.658 1.00 0.00 H new ATOM 882 N ASP A 59 2.135 -10.433 -6.437 1.00 0.00 N ATOM 883 CA ASP A 59 3.429 -9.776 -6.509 1.00 0.00 C ATOM 884 C ASP A 59 3.906 -9.757 -7.962 1.00 0.00 C ATOM 885 O ASP A 59 4.301 -8.711 -8.476 1.00 0.00 O ATOM 886 CB ASP A 59 4.473 -10.525 -5.678 1.00 0.00 C ATOM 887 CG ASP A 59 4.149 -10.644 -4.187 1.00 0.00 C ATOM 888 OD1 ASP A 59 3.680 -9.630 -3.626 1.00 0.00 O ATOM 889 OD2 ASP A 59 4.379 -11.745 -3.643 1.00 0.00 O ATOM 0 H ASP A 59 2.094 -11.345 -6.892 1.00 0.00 H new ATOM 0 HA ASP A 59 3.316 -8.764 -6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.592 -11.527 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.433 -10.020 -5.787 1.00 0.00 H new ATOM 894 N ASP A 60 3.854 -10.926 -8.584 1.00 0.00 N ATOM 895 CA ASP A 60 4.277 -11.056 -9.968 1.00 0.00 C ATOM 896 C ASP A 60 3.370 -10.202 -10.856 1.00 0.00 C ATOM 897 O ASP A 60 3.853 -9.423 -11.676 1.00 0.00 O ATOM 898 CB ASP A 60 4.171 -12.507 -10.442 1.00 0.00 C ATOM 899 CG ASP A 60 5.229 -12.933 -11.462 1.00 0.00 C ATOM 900 OD1 ASP A 60 5.707 -12.037 -12.191 1.00 0.00 O ATOM 901 OD2 ASP A 60 5.536 -14.144 -11.489 1.00 0.00 O ATOM 0 H ASP A 60 3.526 -11.791 -8.155 1.00 0.00 H new ATOM 0 HA ASP A 60 5.315 -10.729 -10.036 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.240 -13.163 -9.574 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.184 -12.659 -10.879 1.00 0.00 H new ATOM 906 N ASP A 61 2.071 -10.378 -10.663 1.00 0.00 N ATOM 907 CA ASP A 61 1.092 -9.633 -11.437 1.00 0.00 C ATOM 908 C ASP A 61 -0.277 -9.743 -10.761 1.00 0.00 C ATOM 909 O ASP A 61 -0.510 -10.655 -9.968 1.00 0.00 O ATOM 910 CB ASP A 61 0.965 -10.196 -12.854 1.00 0.00 C ATOM 911 CG ASP A 61 1.535 -9.303 -13.957 1.00 0.00 C ATOM 912 OD1 ASP A 61 1.819 -8.126 -13.645 1.00 0.00 O ATOM 913 OD2 ASP A 61 1.673 -9.816 -15.089 1.00 0.00 O ATOM 0 H ASP A 61 1.674 -11.025 -9.982 1.00 0.00 H new ATOM 0 HA ASP A 61 1.423 -8.596 -11.489 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.469 -11.162 -12.892 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.089 -10.379 -13.063 1.00 0.00 H new ATOM 918 N TRP A 62 -1.145 -8.802 -11.098 1.00 0.00 N ATOM 919 CA TRP A 62 -2.484 -8.781 -10.534 1.00 0.00 C ATOM 920 C TRP A 62 -3.227 -10.022 -11.033 1.00 0.00 C ATOM 921 O TRP A 62 -3.866 -10.724 -10.251 1.00 0.00 O ATOM 922 CB TRP A 62 -3.204 -7.476 -10.877 1.00 0.00 C ATOM 923 CG TRP A 62 -2.521 -6.224 -10.323 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.416 -5.617 -10.779 1.00 0.00 C ATOM 925 CD2 TRP A 62 -2.945 -5.445 -9.185 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.098 -4.509 -10.020 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.058 -4.401 -9.020 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.042 -5.617 -8.322 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.176 -3.448 -8.001 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.146 -4.657 -7.309 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.261 -3.600 -7.130 1.00 0.00 C ATOM 0 H TRP A 62 -0.948 -8.047 -11.755 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.444 -8.813 -9.445 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.278 -7.388 -11.961 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.222 -7.523 -10.491 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.846 -5.953 -11.633 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.305 -3.884 -10.166 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.749 -6.426 -8.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.468 -2.639 -7.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.972 -4.743 -6.618 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.410 -2.899 -6.322 1.00 0.00 H new ATOM 942 N GLY A 63 -3.116 -10.256 -12.333 1.00 0.00 N ATOM 943 CA GLY A 63 -3.770 -11.400 -12.945 1.00 0.00 C ATOM 944 C GLY A 63 -5.097 -10.994 -13.589 1.00 0.00 C ATOM 945 O GLY A 63 -5.128 -10.576 -14.745 1.00 0.00 O ATOM 0 H GLY A 63 -2.583 -9.673 -12.979 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.115 -11.838 -13.698 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.947 -12.168 -12.192 1.00 0.00 H new ATOM 949 N ASN A 64 -6.161 -11.133 -12.812 1.00 0.00 N ATOM 950 CA ASN A 64 -7.488 -10.786 -13.292 1.00 0.00 C ATOM 951 C ASN A 64 -8.370 -10.395 -12.104 1.00 0.00 C ATOM 952 O ASN A 64 -9.555 -10.721 -12.073 1.00 0.00 O ATOM 953 CB ASN A 64 -8.146 -11.972 -13.999 1.00 0.00 C ATOM 954 CG ASN A 64 -9.071 -11.498 -15.121 1.00 0.00 C ATOM 955 OD1 ASN A 64 -9.495 -10.355 -15.170 1.00 0.00 O ATOM 956 ND2 ASN A 64 -9.360 -12.437 -16.018 1.00 0.00 N ATOM 0 H ASN A 64 -6.131 -11.481 -11.854 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.386 -9.959 -13.994 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.378 -12.627 -14.409 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.715 -12.560 -13.278 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.970 -12.219 -16.806 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.971 -13.375 -15.918 1.00 0.00 H new ATOM 963 N ILE A 65 -7.756 -9.702 -11.156 1.00 0.00 N ATOM 964 CA ILE A 65 -8.470 -9.263 -9.969 1.00 0.00 C ATOM 965 C ILE A 65 -9.469 -8.170 -10.355 1.00 0.00 C ATOM 966 O ILE A 65 -9.166 -7.312 -11.183 1.00 0.00 O ATOM 967 CB ILE A 65 -7.486 -8.840 -8.877 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.566 -9.999 -8.489 1.00 0.00 C ATOM 969 CG2 ILE A 65 -8.223 -8.263 -7.668 1.00 0.00 C ATOM 970 CD1 ILE A 65 -5.546 -9.560 -7.436 1.00 0.00 C ATOM 0 H ILE A 65 -6.772 -9.434 -11.186 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.046 -10.086 -9.545 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.853 -8.047 -9.276 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.161 -10.826 -8.102 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.046 -10.367 -9.373 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.500 -7.970 -6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.799 -7.390 -7.976 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.896 -9.016 -7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.904 -10.402 -7.178 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.937 -8.749 -7.835 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.069 -9.216 -6.544 1.00 0.00 H new ATOM 982 N LYS A 66 -10.638 -8.235 -9.736 1.00 0.00 N ATOM 983 CA LYS A 66 -11.683 -7.262 -10.004 1.00 0.00 C ATOM 984 C LYS A 66 -11.422 -6.000 -9.178 1.00 0.00 C ATOM 985 O LYS A 66 -12.117 -5.741 -8.197 1.00 0.00 O ATOM 986 CB LYS A 66 -13.063 -7.877 -9.766 1.00 0.00 C ATOM 987 CG LYS A 66 -13.521 -8.683 -10.984 1.00 0.00 C ATOM 988 CD LYS A 66 -14.441 -7.849 -11.878 1.00 0.00 C ATOM 989 CE LYS A 66 -15.095 -8.719 -12.953 1.00 0.00 C ATOM 990 NZ LYS A 66 -16.354 -8.100 -13.426 1.00 0.00 N ATOM 0 H LYS A 66 -10.885 -8.947 -9.049 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.668 -6.967 -11.053 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.031 -8.523 -8.889 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.785 -7.088 -9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.653 -9.011 -11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.044 -9.581 -10.655 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.212 -7.374 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.869 -7.050 -12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.410 -8.849 -13.791 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.299 -9.711 -12.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.785 -8.703 -14.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.012 -7.998 -12.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.150 -7.163 -13.828 1.00 0.00 H new ATOM 1004 N MET A 67 -10.418 -5.249 -9.606 1.00 0.00 N ATOM 1005 CA MET A 67 -10.057 -4.020 -8.919 1.00 0.00 C ATOM 1006 C MET A 67 -11.003 -2.880 -9.299 1.00 0.00 C ATOM 1007 O MET A 67 -11.485 -2.820 -10.429 1.00 0.00 O ATOM 1008 CB MET A 67 -8.621 -3.635 -9.282 1.00 0.00 C ATOM 1009 CG MET A 67 -7.639 -4.735 -8.875 1.00 0.00 C ATOM 1010 SD MET A 67 -7.598 -4.889 -7.097 1.00 0.00 S ATOM 1011 CE MET A 67 -6.935 -3.291 -6.661 1.00 0.00 C ATOM 0 H MET A 67 -9.843 -5.468 -10.420 1.00 0.00 H new ATOM 0 HA MET A 67 -10.137 -4.190 -7.845 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.549 -3.457 -10.355 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.354 -2.702 -8.785 1.00 0.00 H new ATOM 0 HG2 MET A 67 -7.936 -5.683 -9.324 1.00 0.00 H new ATOM 0 HG3 MET A 67 -6.643 -4.502 -9.251 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.303 -3.388 -5.778 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.343 -2.904 -7.490 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.753 -2.603 -6.448 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.242 -2.005 -8.334 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.122 -0.870 -8.553 1.00 0.00 C ATOM 1023 C LYS A 68 -11.585 0.342 -7.790 1.00 0.00 C ATOM 1024 O LYS A 68 -10.691 0.209 -6.956 1.00 0.00 O ATOM 1025 CB LYS A 68 -13.565 -1.233 -8.194 1.00 0.00 C ATOM 1026 CG LYS A 68 -14.213 -2.066 -9.301 1.00 0.00 C ATOM 1027 CD LYS A 68 -15.542 -2.661 -8.833 1.00 0.00 C ATOM 1028 CE LYS A 68 -15.321 -3.699 -7.731 1.00 0.00 C ATOM 1029 NZ LYS A 68 -16.106 -3.350 -6.526 1.00 0.00 N ATOM 0 H LYS A 68 -10.841 -2.059 -7.398 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.139 -0.600 -9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.581 -1.791 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.143 -0.323 -8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.379 -1.443 -10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.537 -2.867 -9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.190 -1.866 -8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.054 -3.124 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.613 -4.686 -8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.262 -3.751 -7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.945 -4.064 -5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.808 -2.417 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.117 -3.323 -6.766 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.153 1.498 -8.103 1.00 0.00 N ATOM 1044 CA ASN A 69 -11.742 2.732 -7.457 1.00 0.00 C ATOM 1045 C ASN A 69 -12.765 3.105 -6.381 1.00 0.00 C ATOM 1046 O ASN A 69 -13.915 3.411 -6.692 1.00 0.00 O ATOM 1047 CB ASN A 69 -11.673 3.884 -8.462 1.00 0.00 C ATOM 1048 CG ASN A 69 -12.812 3.792 -9.480 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -13.963 3.564 -9.144 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -12.428 3.980 -10.739 1.00 0.00 N ATOM 0 H ASN A 69 -12.894 1.605 -8.795 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.755 2.572 -7.023 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.728 4.836 -7.934 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.714 3.862 -8.980 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.114 3.937 -11.493 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.448 4.167 -10.951 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.309 3.067 -5.138 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.169 3.397 -4.014 1.00 0.00 C ATOM 1059 C GLY A 70 -12.943 2.432 -2.849 1.00 0.00 C ATOM 1060 O GLY A 70 -12.988 2.834 -1.687 1.00 0.00 O ATOM 0 H GLY A 70 -11.354 2.813 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.972 4.418 -3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.213 3.358 -4.326 1.00 0.00 H new ATOM 1064 N MET A 71 -12.704 1.176 -3.199 1.00 0.00 N ATOM 1065 CA MET A 71 -12.471 0.151 -2.196 1.00 0.00 C ATOM 1066 C MET A 71 -11.388 0.587 -1.208 1.00 0.00 C ATOM 1067 O MET A 71 -10.741 1.615 -1.404 1.00 0.00 O ATOM 1068 CB MET A 71 -12.042 -1.147 -2.883 1.00 0.00 C ATOM 1069 CG MET A 71 -10.704 -0.970 -3.605 1.00 0.00 C ATOM 1070 SD MET A 71 -10.553 -2.172 -4.915 1.00 0.00 S ATOM 1071 CE MET A 71 -10.614 -3.680 -3.961 1.00 0.00 C ATOM 0 H MET A 71 -12.667 0.845 -4.163 1.00 0.00 H new ATOM 0 HA MET A 71 -13.397 -0.008 -1.644 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.957 -1.943 -2.143 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.806 -1.455 -3.597 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.633 0.037 -4.015 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.882 -1.085 -2.898 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.648 -4.183 -4.013 1.00 0.00 H new ATOM 0 HE2 MET A 71 -10.845 -3.444 -2.922 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.386 -4.335 -4.365 1.00 0.00 H new ATOM 1081 N THR A 72 -11.223 -0.216 -0.167 1.00 0.00 N ATOM 1082 CA THR A 72 -10.229 0.074 0.853 1.00 0.00 C ATOM 1083 C THR A 72 -9.162 -1.021 0.884 1.00 0.00 C ATOM 1084 O THR A 72 -9.470 -2.199 0.707 1.00 0.00 O ATOM 1085 CB THR A 72 -10.958 0.251 2.186 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.284 1.637 2.223 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.034 0.053 3.389 1.00 0.00 C ATOM 0 H THR A 72 -11.761 -1.068 -0.008 1.00 0.00 H new ATOM 0 HA THR A 72 -9.694 0.998 0.634 1.00 0.00 H new ATOM 0 HB THR A 72 -11.785 -0.456 2.243 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.761 1.839 3.055 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.601 0.190 4.310 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.617 -0.954 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.225 0.782 3.350 1.00 0.00 H new ATOM 1095 N VAL A 73 -7.928 -0.594 1.110 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.813 -1.524 1.167 1.00 0.00 C ATOM 1097 C VAL A 73 -6.353 -1.674 2.619 1.00 0.00 C ATOM 1098 O VAL A 73 -6.030 -0.687 3.277 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.695 -1.059 0.231 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.393 -1.809 0.517 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.107 -1.214 -1.234 1.00 0.00 C ATOM 0 H VAL A 73 -7.676 0.384 1.256 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.121 -2.510 0.820 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.519 0.000 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.615 -1.460 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.086 -1.625 1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.549 -2.878 0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.295 -0.877 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.324 -2.262 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.996 -0.614 -1.427 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.338 -2.918 3.075 1.00 0.00 N ATOM 1112 CA LEU A 74 -5.923 -3.211 4.436 1.00 0.00 C ATOM 1113 C LEU A 74 -4.433 -3.557 4.448 1.00 0.00 C ATOM 1114 O LEU A 74 -4.003 -4.489 3.770 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.812 -4.297 5.046 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.764 -4.427 6.569 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.320 -4.483 7.070 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -7.560 -3.305 7.240 1.00 0.00 C ATOM 0 H LEU A 74 -6.607 -3.735 2.526 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.051 -2.334 5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.843 -4.103 4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.531 -5.256 4.611 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.237 -5.369 6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.315 -4.575 8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.815 -5.343 6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.799 -3.570 6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.510 -3.421 8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.138 -2.340 6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.600 -3.354 6.918 1.00 0.00 H new ATOM 1130 N MET A 75 -3.686 -2.787 5.225 1.00 0.00 N ATOM 1131 CA MET A 75 -2.252 -3.000 5.334 1.00 0.00 C ATOM 1132 C MET A 75 -1.869 -3.440 6.748 1.00 0.00 C ATOM 1133 O MET A 75 -2.302 -2.837 7.728 1.00 0.00 O ATOM 1134 CB MET A 75 -1.515 -1.706 4.984 1.00 0.00 C ATOM 1135 CG MET A 75 -0.259 -1.996 4.161 1.00 0.00 C ATOM 1136 SD MET A 75 0.795 -0.555 4.127 1.00 0.00 S ATOM 1137 CE MET A 75 1.899 -0.947 5.474 1.00 0.00 C ATOM 0 H MET A 75 -4.046 -2.015 5.785 1.00 0.00 H new ATOM 0 HA MET A 75 -1.967 -3.790 4.639 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.177 -1.046 4.423 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.241 -1.180 5.899 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.280 -2.841 4.590 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.537 -2.278 3.145 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.680 -0.301 6.324 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.762 -1.989 5.765 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.930 -0.791 5.156 1.00 0.00 H new ATOM 1147 N MET A 76 -1.060 -4.488 6.809 1.00 0.00 N ATOM 1148 CA MET A 76 -0.614 -5.016 8.087 1.00 0.00 C ATOM 1149 C MET A 76 0.883 -5.331 8.057 1.00 0.00 C ATOM 1150 O MET A 76 1.369 -5.962 7.120 1.00 0.00 O ATOM 1151 CB MET A 76 -1.397 -6.288 8.416 1.00 0.00 C ATOM 1152 CG MET A 76 -2.787 -5.951 8.960 1.00 0.00 C ATOM 1153 SD MET A 76 -2.806 -6.127 10.737 1.00 0.00 S ATOM 1154 CE MET A 76 -2.064 -4.574 11.210 1.00 0.00 C ATOM 0 H MET A 76 -0.702 -4.986 5.994 1.00 0.00 H new ATOM 0 HA MET A 76 -0.793 -4.261 8.853 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.492 -6.903 7.521 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.848 -6.877 9.150 1.00 0.00 H new ATOM 0 HG2 MET A 76 -3.057 -4.932 8.684 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.531 -6.610 8.513 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.356 -4.327 12.231 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.979 -4.657 11.153 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.404 -3.788 10.536 1.00 0.00 H new ATOM 1164 N GLY A 77 1.572 -4.877 9.094 1.00 0.00 N ATOM 1165 CA GLY A 77 3.003 -5.103 9.198 1.00 0.00 C ATOM 1166 C GLY A 77 3.672 -4.008 10.031 1.00 0.00 C ATOM 1167 O GLY A 77 3.032 -3.023 10.397 1.00 0.00 O ATOM 0 H GLY A 77 1.165 -4.354 9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.189 -6.076 9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.444 -5.128 8.202 1.00 0.00 H new ATOM 1171 N SER A 78 4.951 -4.216 10.307 1.00 0.00 N ATOM 1172 CA SER A 78 5.713 -3.259 11.091 1.00 0.00 C ATOM 1173 C SER A 78 7.068 -3.001 10.428 1.00 0.00 C ATOM 1174 O SER A 78 7.663 -3.909 9.850 1.00 0.00 O ATOM 1175 CB SER A 78 5.909 -3.753 12.525 1.00 0.00 C ATOM 1176 OG SER A 78 6.197 -5.148 12.575 1.00 0.00 O ATOM 0 H SER A 78 5.479 -5.034 10.002 1.00 0.00 H new ATOM 0 HA SER A 78 5.152 -2.326 11.131 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.723 -3.198 12.991 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.009 -3.548 13.105 1.00 0.00 H new ATOM 0 HG SER A 78 6.317 -5.424 13.508 1.00 0.00 H new ATOM 1182 N ALA A 79 7.516 -1.759 10.534 1.00 0.00 N ATOM 1183 CA ALA A 79 8.789 -1.370 9.952 1.00 0.00 C ATOM 1184 C ALA A 79 9.830 -1.227 11.064 1.00 0.00 C ATOM 1185 O ALA A 79 9.926 -0.178 11.699 1.00 0.00 O ATOM 1186 CB ALA A 79 8.611 -0.079 9.150 1.00 0.00 C ATOM 0 H ALA A 79 7.020 -1.008 11.015 1.00 0.00 H new ATOM 0 HA ALA A 79 9.146 -2.135 9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.566 0.213 8.713 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.883 -0.242 8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.257 0.713 9.810 1.00 0.00 H new ATOM 1192 N ASP A 80 10.585 -2.298 11.266 1.00 0.00 N ATOM 1193 CA ASP A 80 11.616 -2.305 12.290 1.00 0.00 C ATOM 1194 C ASP A 80 12.969 -1.993 11.647 1.00 0.00 C ATOM 1195 O ASP A 80 14.010 -2.408 12.154 1.00 0.00 O ATOM 1196 CB ASP A 80 11.715 -3.676 12.961 1.00 0.00 C ATOM 1197 CG ASP A 80 12.237 -3.655 14.400 1.00 0.00 C ATOM 1198 OD1 ASP A 80 11.411 -3.386 15.299 1.00 0.00 O ATOM 1199 OD2 ASP A 80 13.449 -3.909 14.567 1.00 0.00 O ATOM 0 H ASP A 80 10.503 -3.167 10.738 1.00 0.00 H new ATOM 0 HA ASP A 80 11.355 -1.556 13.038 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.728 -4.139 12.955 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.369 -4.311 12.362 1.00 0.00 H new ATOM 1204 N ALA A 81 12.910 -1.266 10.541 1.00 0.00 N ATOM 1205 CA ALA A 81 14.118 -0.894 9.825 1.00 0.00 C ATOM 1206 C ALA A 81 14.740 -2.145 9.199 1.00 0.00 C ATOM 1207 O ALA A 81 14.956 -3.144 9.884 1.00 0.00 O ATOM 1208 CB ALA A 81 15.078 -0.180 10.778 1.00 0.00 C ATOM 0 H ALA A 81 12.044 -0.925 10.123 1.00 0.00 H new ATOM 0 HA ALA A 81 13.887 -0.201 9.017 1.00 0.00 H new ATOM 0 HB1 ALA A 81 15.984 0.099 10.240 1.00 0.00 H new ATOM 0 HB2 ALA A 81 14.600 0.717 11.172 1.00 0.00 H new ATOM 0 HB3 ALA A 81 15.335 -0.846 11.602 1.00 0.00 H new ATOM 1214 N LEU A 82 15.010 -2.049 7.906 1.00 0.00 N ATOM 1215 CA LEU A 82 15.603 -3.160 7.181 1.00 0.00 C ATOM 1216 C LEU A 82 17.082 -3.275 7.553 1.00 0.00 C ATOM 1217 O LEU A 82 17.730 -2.274 7.855 1.00 0.00 O ATOM 1218 CB LEU A 82 15.357 -3.011 5.678 1.00 0.00 C ATOM 1219 CG LEU A 82 16.221 -1.976 4.956 1.00 0.00 C ATOM 1220 CD1 LEU A 82 17.248 -2.656 4.048 1.00 0.00 C ATOM 1221 CD2 LEU A 82 15.353 -0.975 4.191 1.00 0.00 C ATOM 0 H LEU A 82 14.829 -1.219 7.341 1.00 0.00 H new ATOM 0 HA LEU A 82 15.128 -4.098 7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.516 -3.981 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.310 -2.751 5.526 1.00 0.00 H new ATOM 0 HG LEU A 82 16.777 -1.413 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 82 17.849 -1.897 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.896 -3.295 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.731 -3.260 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.992 -0.250 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.752 -1.505 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.696 -0.456 4.889 1.00 0.00 H new ATOM 1233 N PRO A 83 17.587 -4.537 7.519 1.00 0.00 N ATOM 1234 CA PRO A 83 18.978 -4.796 7.850 1.00 0.00 C ATOM 1235 C PRO A 83 19.903 -4.358 6.712 1.00 0.00 C ATOM 1236 O PRO A 83 20.396 -5.191 5.953 1.00 0.00 O ATOM 1237 CB PRO A 83 19.045 -6.289 8.129 1.00 0.00 C ATOM 1238 CG PRO A 83 17.800 -6.887 7.496 1.00 0.00 C ATOM 1239 CD PRO A 83 16.850 -5.747 7.167 1.00 0.00 C ATOM 0 HA PRO A 83 19.317 -4.227 8.716 1.00 0.00 H new ATOM 0 HB2 PRO A 83 19.948 -6.726 7.703 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.071 -6.485 9.201 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.059 -7.440 6.593 1.00 0.00 H new ATOM 0 HG3 PRO A 83 17.327 -7.593 8.178 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.577 -5.751 6.112 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.924 -5.826 7.736 1.00 0.00 H new ATOM 1247 N GLU A 84 20.109 -3.052 6.629 1.00 0.00 N ATOM 1248 CA GLU A 84 20.966 -2.494 5.596 1.00 0.00 C ATOM 1249 C GLU A 84 20.994 -0.968 5.698 1.00 0.00 C ATOM 1250 O GLU A 84 20.052 -0.358 6.202 1.00 0.00 O ATOM 1251 CB GLU A 84 20.512 -2.943 4.206 1.00 0.00 C ATOM 1252 CG GLU A 84 21.651 -3.632 3.453 1.00 0.00 C ATOM 1253 CD GLU A 84 21.107 -4.599 2.399 1.00 0.00 C ATOM 1254 OE1 GLU A 84 20.021 -4.296 1.859 1.00 0.00 O ATOM 1255 OE2 GLU A 84 21.789 -5.618 2.158 1.00 0.00 O ATOM 0 H GLU A 84 19.698 -2.364 7.260 1.00 0.00 H new ATOM 0 HA GLU A 84 21.978 -2.867 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 84 19.667 -3.626 4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.164 -2.081 3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 84 22.280 -2.882 2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 84 22.282 -4.174 4.158 1.00 0.00 H new ATOM 1262 N GLU A 85 22.084 -0.394 5.211 1.00 0.00 N ATOM 1263 CA GLU A 85 22.247 1.050 5.241 1.00 0.00 C ATOM 1264 C GLU A 85 21.852 1.656 3.893 1.00 0.00 C ATOM 1265 O GLU A 85 22.017 1.023 2.851 1.00 0.00 O ATOM 1266 CB GLU A 85 23.681 1.432 5.615 1.00 0.00 C ATOM 1267 CG GLU A 85 23.832 1.575 7.131 1.00 0.00 C ATOM 1268 CD GLU A 85 24.803 2.705 7.480 1.00 0.00 C ATOM 1269 OE1 GLU A 85 24.392 3.875 7.324 1.00 0.00 O ATOM 1270 OE2 GLU A 85 25.934 2.373 7.896 1.00 0.00 O ATOM 0 H GLU A 85 22.863 -0.903 4.793 1.00 0.00 H new ATOM 0 HA GLU A 85 21.586 1.455 6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 85 24.371 0.673 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 85 23.950 2.370 5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 85 22.859 1.775 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 85 24.192 0.637 7.554 1.00 0.00 H new ATOM 1277 N PRO A 86 21.325 2.908 3.959 1.00 0.00 N ATOM 1278 CA PRO A 86 20.905 3.607 2.756 1.00 0.00 C ATOM 1279 C PRO A 86 22.113 4.120 1.970 1.00 0.00 C ATOM 1280 O PRO A 86 23.189 4.312 2.534 1.00 0.00 O ATOM 1281 CB PRO A 86 19.998 4.724 3.247 1.00 0.00 C ATOM 1282 CG PRO A 86 20.312 4.897 4.724 1.00 0.00 C ATOM 1283 CD PRO A 86 21.115 3.688 5.175 1.00 0.00 C ATOM 0 HA PRO A 86 20.376 2.960 2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 86 20.183 5.647 2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.949 4.469 3.098 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.878 5.814 4.889 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.392 4.981 5.302 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.063 3.987 5.622 1.00 0.00 H new ATOM 0 HD3 PRO A 86 20.575 3.112 5.927 1.00 0.00 H new ATOM 1291 N SER A 87 21.894 4.328 0.680 1.00 0.00 N ATOM 1292 CA SER A 87 22.952 4.815 -0.190 1.00 0.00 C ATOM 1293 C SER A 87 22.353 5.640 -1.331 1.00 0.00 C ATOM 1294 O SER A 87 21.456 5.175 -2.033 1.00 0.00 O ATOM 1295 CB SER A 87 23.781 3.658 -0.750 1.00 0.00 C ATOM 1296 OG SER A 87 25.101 3.639 -0.214 1.00 0.00 O ATOM 0 H SER A 87 21.000 4.168 0.216 1.00 0.00 H new ATOM 0 HA SER A 87 23.615 5.449 0.399 1.00 0.00 H new ATOM 0 HB2 SER A 87 23.285 2.714 -0.525 1.00 0.00 H new ATOM 0 HB3 SER A 87 23.832 3.740 -1.836 1.00 0.00 H new ATOM 0 HG SER A 87 25.598 2.885 -0.595 1.00 0.00 H new ATOM 1302 N ALA A 88 22.873 6.849 -1.480 1.00 0.00 N ATOM 1303 CA ALA A 88 22.400 7.743 -2.524 1.00 0.00 C ATOM 1304 C ALA A 88 20.894 7.955 -2.365 1.00 0.00 C ATOM 1305 O ALA A 88 20.096 7.277 -3.010 1.00 0.00 O ATOM 1306 CB ALA A 88 22.766 7.167 -3.894 1.00 0.00 C ATOM 0 H ALA A 88 23.617 7.231 -0.896 1.00 0.00 H new ATOM 0 HA ALA A 88 22.881 8.718 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 88 22.411 7.837 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 88 23.849 7.063 -3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 88 22.299 6.189 -4.014 1.00 0.00 H new ATOM 1312 N LYS A 89 20.550 8.899 -1.501 1.00 0.00 N ATOM 1313 CA LYS A 89 19.153 9.209 -1.248 1.00 0.00 C ATOM 1314 C LYS A 89 18.400 9.273 -2.579 1.00 0.00 C ATOM 1315 O LYS A 89 18.858 9.912 -3.525 1.00 0.00 O ATOM 1316 CB LYS A 89 19.030 10.484 -0.411 1.00 0.00 C ATOM 1317 CG LYS A 89 18.971 10.156 1.082 1.00 0.00 C ATOM 1318 CD LYS A 89 17.796 10.868 1.754 1.00 0.00 C ATOM 1319 CE LYS A 89 17.365 10.135 3.026 1.00 0.00 C ATOM 1320 NZ LYS A 89 16.702 11.069 3.963 1.00 0.00 N ATOM 0 H LYS A 89 21.215 9.459 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 89 18.689 8.420 -0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 89 19.879 11.137 -0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 89 18.133 11.030 -0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 89 18.874 9.079 1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 89 19.904 10.455 1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.078 11.892 1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.957 10.925 1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.685 9.322 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 89 18.234 9.685 3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.416 10.555 4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.362 11.830 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.861 11.479 3.508 1.00 0.00 H new ATOM 1334 N THR A 90 17.259 8.600 -2.609 1.00 0.00 N ATOM 1335 CA THR A 90 16.439 8.572 -3.808 1.00 0.00 C ATOM 1336 C THR A 90 15.799 9.941 -4.049 1.00 0.00 C ATOM 1337 O THR A 90 15.250 10.544 -3.129 1.00 0.00 O ATOM 1338 CB THR A 90 15.418 7.443 -3.656 1.00 0.00 C ATOM 1339 OG1 THR A 90 16.180 6.256 -3.858 1.00 0.00 O ATOM 1340 CG2 THR A 90 14.391 7.425 -4.791 1.00 0.00 C ATOM 0 H THR A 90 16.883 8.070 -1.823 1.00 0.00 H new ATOM 0 HA THR A 90 17.041 8.369 -4.694 1.00 0.00 H new ATOM 0 HB THR A 90 14.902 7.547 -2.702 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.595 5.474 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.690 6.605 -4.635 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.847 8.369 -4.805 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.903 7.288 -5.743 1.00 0.00 H new ATOM 1348 N SER A 91 15.892 10.391 -5.292 1.00 0.00 N ATOM 1349 CA SER A 91 15.329 11.677 -5.666 1.00 0.00 C ATOM 1350 C SER A 91 16.005 12.795 -4.870 1.00 0.00 C ATOM 1351 O SER A 91 15.639 13.056 -3.725 1.00 0.00 O ATOM 1352 CB SER A 91 13.816 11.704 -5.439 1.00 0.00 C ATOM 1353 OG SER A 91 13.142 10.722 -6.220 1.00 0.00 O ATOM 0 H SER A 91 16.349 9.888 -6.053 1.00 0.00 H new ATOM 0 HA SER A 91 15.512 11.834 -6.729 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.605 11.535 -4.383 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.430 12.693 -5.687 1.00 0.00 H new ATOM 0 HG SER A 91 12.179 10.770 -6.046 1.00 0.00 H new ATOM 1359 N GLY A 92 16.980 13.427 -5.508 1.00 0.00 N ATOM 1360 CA GLY A 92 17.710 14.511 -4.873 1.00 0.00 C ATOM 1361 C GLY A 92 18.351 15.426 -5.919 1.00 0.00 C ATOM 1362 O GLY A 92 17.703 16.336 -6.433 1.00 0.00 O ATOM 0 H GLY A 92 17.281 13.209 -6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 92 17.034 15.090 -4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 92 18.481 14.102 -4.221 1.00 0.00 H new ATOM 1366 N PRO A 93 19.650 15.145 -6.209 1.00 0.00 N ATOM 1367 CA PRO A 93 20.386 15.932 -7.184 1.00 0.00 C ATOM 1368 C PRO A 93 19.954 15.581 -8.610 1.00 0.00 C ATOM 1369 O PRO A 93 20.024 16.420 -9.507 1.00 0.00 O ATOM 1370 CB PRO A 93 21.849 15.625 -6.914 1.00 0.00 C ATOM 1371 CG PRO A 93 21.863 14.332 -6.114 1.00 0.00 C ATOM 1372 CD PRO A 93 20.449 14.074 -5.620 1.00 0.00 C ATOM 0 HA PRO A 93 20.194 17.001 -7.093 1.00 0.00 H new ATOM 0 HB2 PRO A 93 22.403 15.514 -7.846 1.00 0.00 H new ATOM 0 HB3 PRO A 93 22.321 16.434 -6.357 1.00 0.00 H new ATOM 0 HG2 PRO A 93 22.208 13.504 -6.733 1.00 0.00 H new ATOM 0 HG3 PRO A 93 22.553 14.411 -5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 93 20.092 13.094 -5.936 1.00 0.00 H new ATOM 0 HD3 PRO A 93 20.400 14.096 -4.531 1.00 0.00 H new ATOM 1380 N SER A 94 19.518 14.341 -8.774 1.00 0.00 N ATOM 1381 CA SER A 94 19.076 13.870 -10.075 1.00 0.00 C ATOM 1382 C SER A 94 17.787 14.587 -10.481 1.00 0.00 C ATOM 1383 O SER A 94 16.853 14.690 -9.688 1.00 0.00 O ATOM 1384 CB SER A 94 18.860 12.355 -10.068 1.00 0.00 C ATOM 1385 OG SER A 94 17.653 11.991 -9.404 1.00 0.00 O ATOM 0 H SER A 94 19.461 13.648 -8.028 1.00 0.00 H new ATOM 0 HA SER A 94 19.855 14.096 -10.803 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.834 11.988 -11.094 1.00 0.00 H new ATOM 0 HB3 SER A 94 19.704 11.871 -9.577 1.00 0.00 H new ATOM 0 HG SER A 94 17.551 11.017 -9.422 1.00 0.00 H new ATOM 1391 N SER A 95 17.778 15.065 -11.717 1.00 0.00 N ATOM 1392 CA SER A 95 16.619 15.770 -12.238 1.00 0.00 C ATOM 1393 C SER A 95 16.299 15.277 -13.651 1.00 0.00 C ATOM 1394 O SER A 95 17.201 14.933 -14.412 1.00 0.00 O ATOM 1395 CB SER A 95 16.850 17.282 -12.243 1.00 0.00 C ATOM 1396 OG SER A 95 15.641 18.008 -12.039 1.00 0.00 O ATOM 0 H SER A 95 18.555 14.978 -12.372 1.00 0.00 H new ATOM 0 HA SER A 95 15.770 15.562 -11.586 1.00 0.00 H new ATOM 0 HB2 SER A 95 17.565 17.542 -11.462 1.00 0.00 H new ATOM 0 HB3 SER A 95 17.294 17.578 -13.193 1.00 0.00 H new ATOM 0 HG SER A 95 15.831 18.969 -12.047 1.00 0.00 H new ATOM 1402 N GLY A 96 15.010 15.260 -13.959 1.00 0.00 N ATOM 1403 CA GLY A 96 14.559 14.815 -15.267 1.00 0.00 C ATOM 1404 C GLY A 96 13.470 15.739 -15.815 1.00 0.00 C ATOM 1405 O GLY A 96 12.454 15.272 -16.327 1.00 0.00 O ATOM 0 H GLY A 96 14.264 15.547 -13.325 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.402 14.791 -15.958 1.00 0.00 H new ATOM 0 HA3 GLY A 96 14.176 13.797 -15.197 1.00 0.00 H new TER 1409 GLY A 96