USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 667 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 70 GLN : amide:sc= -2.85! C(o=-6.3!,f=-5.6!) USER MOD Set 1.2: A 74 GLN : amide:sc= -3.44! K(o=-6.3!,f=-5.6) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0751 (180deg=0) USER MOD Single : A 2 SER OG : rot 53:sc= 0.222 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 SER OG : rot 12:sc= 0.83 USER MOD Single : A 17 MET CE :methyl 160:sc= -1.91 (180deg=-3.89!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 99:sc= -4.49! USER MOD Single : A 29 THR OG1 : rot -179:sc= 0.0166 USER MOD Single : A 31 GLN : amide:sc= -2.46! K(o=-2.5!,f=-1.8) USER MOD Single : A 39 TYR OH : rot 102:sc= -4.65! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.477 K(o=-0.48,f=-2.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -43:sc= 0.478 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= -1.33! USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 84:sc= 0.77 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.373 K(o=-0.37,f=-3!) USER MOD Single : A 72 MET CE :methyl 136:sc= -0.388 (180deg=-2.35) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0384 K(o=-0.038,f=0.86) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.088 10.237 30.458 1.00 0.00 N ATOM 2 CA GLY A 1 -17.916 11.075 30.270 1.00 0.00 C ATOM 3 C GLY A 1 -17.662 11.336 28.783 1.00 0.00 C ATOM 4 O GLY A 1 -18.122 10.579 27.929 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.855 10.801 30.876 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.397 9.861 29.539 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.852 9.448 31.094 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.054 12.022 30.791 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.045 10.592 30.712 1.00 0.00 H new ATOM 8 N SER A 2 -16.931 12.409 28.519 1.00 0.00 N ATOM 9 CA SER A 2 -16.610 12.778 27.152 1.00 0.00 C ATOM 10 C SER A 2 -15.092 12.797 26.957 1.00 0.00 C ATOM 11 O SER A 2 -14.456 13.838 27.110 1.00 0.00 O ATOM 12 CB SER A 2 -17.208 14.140 26.795 1.00 0.00 C ATOM 13 OG SER A 2 -16.904 15.131 27.775 1.00 0.00 O ATOM 0 H SER A 2 -16.552 13.035 29.230 1.00 0.00 H new ATOM 0 HA SER A 2 -17.046 12.034 26.486 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.827 14.460 25.825 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.290 14.047 26.697 1.00 0.00 H new ATOM 0 HG SER A 2 -15.936 15.159 27.923 1.00 0.00 H new ATOM 19 N SER A 3 -14.557 11.633 26.623 1.00 0.00 N ATOM 20 CA SER A 3 -13.126 11.502 26.405 1.00 0.00 C ATOM 21 C SER A 3 -12.853 10.421 25.358 1.00 0.00 C ATOM 22 O SER A 3 -12.994 9.231 25.637 1.00 0.00 O ATOM 23 CB SER A 3 -12.398 11.173 27.711 1.00 0.00 C ATOM 24 OG SER A 3 -11.775 12.322 28.278 1.00 0.00 O ATOM 0 H SER A 3 -15.088 10.771 26.498 1.00 0.00 H new ATOM 0 HA SER A 3 -12.747 12.456 26.039 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.107 10.755 28.426 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.645 10.407 27.524 1.00 0.00 H new ATOM 0 HG SER A 3 -11.323 12.072 29.111 1.00 0.00 H new ATOM 30 N GLY A 4 -12.466 10.873 24.173 1.00 0.00 N ATOM 31 CA GLY A 4 -12.172 9.959 23.083 1.00 0.00 C ATOM 32 C GLY A 4 -11.304 10.635 22.020 1.00 0.00 C ATOM 33 O GLY A 4 -10.521 11.531 22.331 1.00 0.00 O ATOM 0 H GLY A 4 -12.350 11.860 23.945 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.659 9.078 23.470 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.102 9.614 22.632 1.00 0.00 H new ATOM 37 N SER A 5 -11.473 10.180 20.787 1.00 0.00 N ATOM 38 CA SER A 5 -10.715 10.731 19.676 1.00 0.00 C ATOM 39 C SER A 5 -9.217 10.509 19.904 1.00 0.00 C ATOM 40 O SER A 5 -8.660 10.981 20.893 1.00 0.00 O ATOM 41 CB SER A 5 -11.009 12.220 19.493 1.00 0.00 C ATOM 42 OG SER A 5 -10.994 12.603 18.120 1.00 0.00 O ATOM 0 H SER A 5 -12.123 9.436 20.533 1.00 0.00 H new ATOM 0 HA SER A 5 -11.018 10.215 18.765 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.983 12.453 19.924 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.270 12.805 20.041 1.00 0.00 H new ATOM 0 HG SER A 5 -11.188 13.561 18.045 1.00 0.00 H new ATOM 48 N SER A 6 -8.609 9.791 18.971 1.00 0.00 N ATOM 49 CA SER A 6 -7.188 9.502 19.057 1.00 0.00 C ATOM 50 C SER A 6 -6.518 9.770 17.709 1.00 0.00 C ATOM 51 O SER A 6 -6.758 9.055 16.738 1.00 0.00 O ATOM 52 CB SER A 6 -6.946 8.055 19.491 1.00 0.00 C ATOM 53 OG SER A 6 -5.734 7.914 20.227 1.00 0.00 O ATOM 0 H SER A 6 -9.075 9.401 18.152 1.00 0.00 H new ATOM 0 HA SER A 6 -6.750 10.157 19.810 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.783 7.715 20.101 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.912 7.413 18.611 1.00 0.00 H new ATOM 0 HG SER A 6 -5.617 6.977 20.487 1.00 0.00 H new ATOM 59 N GLY A 7 -5.689 10.805 17.692 1.00 0.00 N ATOM 60 CA GLY A 7 -4.980 11.177 16.479 1.00 0.00 C ATOM 61 C GLY A 7 -3.530 11.554 16.785 1.00 0.00 C ATOM 62 O GLY A 7 -3.184 12.735 16.811 1.00 0.00 O ATOM 0 H GLY A 7 -5.493 11.397 18.499 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.002 10.348 15.772 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.485 12.017 16.002 1.00 0.00 H new ATOM 66 N SER A 8 -2.720 10.530 17.009 1.00 0.00 N ATOM 67 CA SER A 8 -1.314 10.739 17.312 1.00 0.00 C ATOM 68 C SER A 8 -0.562 11.154 16.046 1.00 0.00 C ATOM 69 O SER A 8 -0.457 10.375 15.098 1.00 0.00 O ATOM 70 CB SER A 8 -0.687 9.480 17.913 1.00 0.00 C ATOM 71 OG SER A 8 -0.500 8.458 16.938 1.00 0.00 O ATOM 0 H SER A 8 -3.010 9.552 16.987 1.00 0.00 H new ATOM 0 HA SER A 8 -1.238 11.537 18.050 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.274 9.733 18.362 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.324 9.105 18.714 1.00 0.00 H new ATOM 0 HG SER A 8 -0.629 8.833 16.042 1.00 0.00 H new ATOM 77 N GLU A 9 -0.057 12.379 16.069 1.00 0.00 N ATOM 78 CA GLU A 9 0.682 12.906 14.936 1.00 0.00 C ATOM 79 C GLU A 9 -0.241 13.058 13.725 1.00 0.00 C ATOM 80 O GLU A 9 -0.535 12.081 13.036 1.00 0.00 O ATOM 81 CB GLU A 9 1.881 12.017 14.602 1.00 0.00 C ATOM 82 CG GLU A 9 3.084 12.859 14.170 1.00 0.00 C ATOM 83 CD GLU A 9 3.827 12.198 13.006 1.00 0.00 C ATOM 84 OE1 GLU A 9 3.827 10.948 12.970 1.00 0.00 O ATOM 85 OE2 GLU A 9 4.377 12.957 12.180 1.00 0.00 O ATOM 0 H GLU A 9 -0.146 13.022 16.856 1.00 0.00 H new ATOM 0 HA GLU A 9 1.065 13.891 15.203 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.146 11.416 15.472 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.613 11.323 13.805 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.749 13.853 13.875 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.763 12.989 15.013 1.00 0.00 H new ATOM 92 N GLU A 10 -0.673 14.291 13.500 1.00 0.00 N ATOM 93 CA GLU A 10 -1.557 14.583 12.385 1.00 0.00 C ATOM 94 C GLU A 10 -0.942 14.084 11.076 1.00 0.00 C ATOM 95 O GLU A 10 0.271 13.898 10.988 1.00 0.00 O ATOM 96 CB GLU A 10 -1.868 16.079 12.310 1.00 0.00 C ATOM 97 CG GLU A 10 -3.333 16.352 12.657 1.00 0.00 C ATOM 98 CD GLU A 10 -3.546 17.823 13.021 1.00 0.00 C ATOM 99 OE1 GLU A 10 -3.578 18.641 12.078 1.00 0.00 O ATOM 100 OE2 GLU A 10 -3.672 18.094 14.235 1.00 0.00 O ATOM 0 H GLU A 10 -0.427 15.099 14.072 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.498 14.057 12.545 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.220 16.624 12.997 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.653 16.449 11.308 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.966 16.088 11.810 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.637 15.720 13.491 1.00 0.00 H new ATOM 107 N ASP A 11 -1.805 13.884 10.092 1.00 0.00 N ATOM 108 CA ASP A 11 -1.362 13.412 8.792 1.00 0.00 C ATOM 109 C ASP A 11 -0.446 14.460 8.157 1.00 0.00 C ATOM 110 O ASP A 11 -0.667 15.660 8.315 1.00 0.00 O ATOM 111 CB ASP A 11 -2.548 13.190 7.851 1.00 0.00 C ATOM 112 CG ASP A 11 -3.811 12.644 8.521 1.00 0.00 C ATOM 113 OD1 ASP A 11 -3.656 11.747 9.377 1.00 0.00 O ATOM 114 OD2 ASP A 11 -4.903 13.136 8.162 1.00 0.00 O ATOM 0 H ASP A 11 -2.810 14.040 10.169 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.837 12.468 8.939 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.791 14.136 7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.244 12.499 7.065 1.00 0.00 H new ATOM 119 N ASP A 12 0.565 13.970 7.454 1.00 0.00 N ATOM 120 CA ASP A 12 1.515 14.850 6.796 1.00 0.00 C ATOM 121 C ASP A 12 1.111 15.026 5.331 1.00 0.00 C ATOM 122 O ASP A 12 0.084 14.504 4.901 1.00 0.00 O ATOM 123 CB ASP A 12 2.926 14.259 6.830 1.00 0.00 C ATOM 124 CG ASP A 12 4.059 15.287 6.757 1.00 0.00 C ATOM 125 OD1 ASP A 12 4.049 16.203 7.608 1.00 0.00 O ATOM 126 OD2 ASP A 12 4.908 15.131 5.853 1.00 0.00 O ATOM 0 H ASP A 12 0.747 12.974 7.326 1.00 0.00 H new ATOM 0 HA ASP A 12 1.511 15.805 7.321 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.039 13.680 7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.033 13.563 5.998 1.00 0.00 H new ATOM 131 N GLU A 13 1.940 15.763 4.606 1.00 0.00 N ATOM 132 CA GLU A 13 1.682 16.014 3.199 1.00 0.00 C ATOM 133 C GLU A 13 2.063 14.790 2.363 1.00 0.00 C ATOM 134 O GLU A 13 1.593 14.633 1.237 1.00 0.00 O ATOM 135 CB GLU A 13 2.428 17.260 2.719 1.00 0.00 C ATOM 136 CG GLU A 13 1.890 18.519 3.403 1.00 0.00 C ATOM 137 CD GLU A 13 2.775 19.729 3.098 1.00 0.00 C ATOM 138 OE1 GLU A 13 3.292 19.782 1.961 1.00 0.00 O ATOM 139 OE2 GLU A 13 2.915 20.574 4.009 1.00 0.00 O ATOM 0 H GLU A 13 2.791 16.194 4.967 1.00 0.00 H new ATOM 0 HA GLU A 13 0.615 16.198 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.492 17.154 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.324 17.356 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.872 18.714 3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.843 18.360 4.480 1.00 0.00 H new ATOM 146 N VAL A 14 2.910 13.955 2.945 1.00 0.00 N ATOM 147 CA VAL A 14 3.360 12.751 2.269 1.00 0.00 C ATOM 148 C VAL A 14 2.281 11.672 2.386 1.00 0.00 C ATOM 149 O VAL A 14 2.092 10.877 1.468 1.00 0.00 O ATOM 150 CB VAL A 14 4.712 12.308 2.831 1.00 0.00 C ATOM 151 CG1 VAL A 14 4.557 11.724 4.236 1.00 0.00 C ATOM 152 CG2 VAL A 14 5.395 11.309 1.894 1.00 0.00 C ATOM 0 H VAL A 14 3.297 14.089 3.879 1.00 0.00 H new ATOM 0 HA VAL A 14 3.513 12.944 1.207 1.00 0.00 H new ATOM 0 HB VAL A 14 5.349 13.189 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.533 11.417 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.134 12.479 4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.894 10.860 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.354 11.010 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.761 10.430 1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.557 11.774 0.922 1.00 0.00 H new ATOM 162 N VAL A 15 1.602 11.682 3.524 1.00 0.00 N ATOM 163 CA VAL A 15 0.547 10.714 3.773 1.00 0.00 C ATOM 164 C VAL A 15 -0.531 10.852 2.695 1.00 0.00 C ATOM 165 O VAL A 15 -0.819 9.897 1.975 1.00 0.00 O ATOM 166 CB VAL A 15 0.001 10.889 5.191 1.00 0.00 C ATOM 167 CG1 VAL A 15 -1.421 10.334 5.303 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.926 10.237 6.220 1.00 0.00 C ATOM 0 H VAL A 15 1.762 12.344 4.283 1.00 0.00 H new ATOM 0 HA VAL A 15 0.938 9.698 3.713 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.038 11.957 5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.786 10.471 6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.074 10.864 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.417 9.272 5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.514 10.376 7.219 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.012 9.171 6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.912 10.698 6.167 1.00 0.00 H new ATOM 178 N ALA A 16 -1.098 12.046 2.620 1.00 0.00 N ATOM 179 CA ALA A 16 -2.138 12.322 1.643 1.00 0.00 C ATOM 180 C ALA A 16 -1.618 11.985 0.244 1.00 0.00 C ATOM 181 O ALA A 16 -2.390 11.603 -0.634 1.00 0.00 O ATOM 182 CB ALA A 16 -2.579 13.781 1.765 1.00 0.00 C ATOM 0 H ALA A 16 -0.857 12.835 3.220 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.014 11.701 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.359 13.988 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.966 13.961 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.727 14.435 1.582 1.00 0.00 H new ATOM 188 N MET A 17 -0.312 12.140 0.078 1.00 0.00 N ATOM 189 CA MET A 17 0.320 11.856 -1.199 1.00 0.00 C ATOM 190 C MET A 17 0.181 10.377 -1.563 1.00 0.00 C ATOM 191 O MET A 17 -0.369 10.041 -2.611 1.00 0.00 O ATOM 192 CB MET A 17 1.802 12.228 -1.129 1.00 0.00 C ATOM 193 CG MET A 17 2.210 13.082 -2.331 1.00 0.00 C ATOM 194 SD MET A 17 3.157 14.493 -1.784 1.00 0.00 S ATOM 195 CE MET A 17 4.782 14.013 -2.347 1.00 0.00 C ATOM 0 H MET A 17 0.326 12.459 0.807 1.00 0.00 H new ATOM 0 HA MET A 17 -0.176 12.448 -1.968 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.001 12.774 -0.207 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.407 11.322 -1.100 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.799 12.486 -3.028 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.322 13.416 -2.869 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.419 14.895 -2.415 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.217 13.305 -1.642 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.704 13.545 -3.328 1.00 0.00 H new ATOM 205 N ILE A 18 0.689 9.532 -0.679 1.00 0.00 N ATOM 206 CA ILE A 18 0.628 8.096 -0.894 1.00 0.00 C ATOM 207 C ILE A 18 -0.818 7.689 -1.189 1.00 0.00 C ATOM 208 O ILE A 18 -1.070 6.884 -2.084 1.00 0.00 O ATOM 209 CB ILE A 18 1.247 7.350 0.290 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.752 7.612 0.376 1.00 0.00 C ATOM 211 CG2 ILE A 18 0.929 5.856 0.223 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.186 7.846 1.824 1.00 0.00 C ATOM 0 H ILE A 18 1.145 9.814 0.189 1.00 0.00 H new ATOM 0 HA ILE A 18 1.222 7.816 -1.764 1.00 0.00 H new ATOM 0 HB ILE A 18 0.800 7.734 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.297 6.763 -0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.009 8.481 -0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.381 5.349 1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.151 5.713 0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.331 5.440 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.260 8.030 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.658 8.710 2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.950 6.965 2.421 1.00 0.00 H new ATOM 224 N LYS A 19 -1.729 8.266 -0.418 1.00 0.00 N ATOM 225 CA LYS A 19 -3.143 7.973 -0.586 1.00 0.00 C ATOM 226 C LYS A 19 -3.474 7.914 -2.079 1.00 0.00 C ATOM 227 O LYS A 19 -3.968 6.900 -2.569 1.00 0.00 O ATOM 228 CB LYS A 19 -3.993 8.977 0.193 1.00 0.00 C ATOM 229 CG LYS A 19 -4.761 8.286 1.323 1.00 0.00 C ATOM 230 CD LYS A 19 -5.578 9.298 2.129 1.00 0.00 C ATOM 231 CE LYS A 19 -5.010 9.462 3.540 1.00 0.00 C ATOM 232 NZ LYS A 19 -5.588 10.657 4.195 1.00 0.00 N ATOM 0 H LYS A 19 -1.516 8.934 0.323 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.382 6.995 -0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.353 9.756 0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.695 9.466 -0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.424 7.527 0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.061 7.771 1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.577 10.261 1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.616 8.969 2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.229 8.574 4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.925 9.554 3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.192 10.754 5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.358 11.504 3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.621 10.554 4.257 1.00 0.00 H new ATOM 246 N GLU A 20 -3.187 9.014 -2.760 1.00 0.00 N ATOM 247 CA GLU A 20 -3.448 9.100 -4.187 1.00 0.00 C ATOM 248 C GLU A 20 -2.758 7.951 -4.923 1.00 0.00 C ATOM 249 O GLU A 20 -3.395 7.232 -5.692 1.00 0.00 O ATOM 250 CB GLU A 20 -3.003 10.454 -4.745 1.00 0.00 C ATOM 251 CG GLU A 20 -4.206 11.286 -5.193 1.00 0.00 C ATOM 252 CD GLU A 20 -5.053 11.715 -3.993 1.00 0.00 C ATOM 253 OE1 GLU A 20 -4.512 11.660 -2.868 1.00 0.00 O ATOM 254 OE2 GLU A 20 -6.222 12.090 -4.228 1.00 0.00 O ATOM 0 H GLU A 20 -2.776 9.853 -2.350 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.523 9.014 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.443 10.998 -3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.329 10.300 -5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.862 12.168 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.817 10.706 -5.885 1.00 0.00 H new ATOM 261 N LEU A 21 -1.467 7.812 -4.661 1.00 0.00 N ATOM 262 CA LEU A 21 -0.684 6.761 -5.289 1.00 0.00 C ATOM 263 C LEU A 21 -1.344 5.408 -5.016 1.00 0.00 C ATOM 264 O LEU A 21 -1.188 4.468 -5.795 1.00 0.00 O ATOM 265 CB LEU A 21 0.775 6.836 -4.836 1.00 0.00 C ATOM 266 CG LEU A 21 1.823 6.844 -5.951 1.00 0.00 C ATOM 267 CD1 LEU A 21 3.238 6.827 -5.372 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.590 5.693 -6.930 1.00 0.00 C ATOM 0 H LEU A 21 -0.943 8.410 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.665 6.895 -6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.903 7.738 -4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.976 5.988 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 21 1.717 7.771 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.964 6.833 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.386 7.708 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.374 5.928 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.348 5.722 -7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.654 4.744 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.602 5.792 -7.379 1.00 0.00 H new ATOM 280 N LEU A 22 -2.066 5.350 -3.906 1.00 0.00 N ATOM 281 CA LEU A 22 -2.750 4.127 -3.521 1.00 0.00 C ATOM 282 C LEU A 22 -4.041 3.992 -4.332 1.00 0.00 C ATOM 283 O LEU A 22 -4.702 2.956 -4.283 1.00 0.00 O ATOM 284 CB LEU A 22 -2.969 4.090 -2.007 1.00 0.00 C ATOM 285 CG LEU A 22 -1.864 3.423 -1.186 1.00 0.00 C ATOM 286 CD1 LEU A 22 -2.188 1.950 -0.926 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.500 3.600 -1.855 1.00 0.00 C ATOM 0 H LEU A 22 -2.192 6.130 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.135 3.258 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.090 5.113 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.906 3.570 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.813 3.918 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.387 1.499 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.126 1.875 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.282 1.425 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.267 3.116 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.520 3.147 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.274 4.663 -1.946 1.00 0.00 H new ATOM 299 N ASP A 23 -4.359 5.053 -5.059 1.00 0.00 N ATOM 300 CA ASP A 23 -5.558 5.065 -5.880 1.00 0.00 C ATOM 301 C ASP A 23 -5.160 5.119 -7.356 1.00 0.00 C ATOM 302 O ASP A 23 -5.826 4.526 -8.204 1.00 0.00 O ATOM 303 CB ASP A 23 -6.420 6.292 -5.577 1.00 0.00 C ATOM 304 CG ASP A 23 -7.742 5.996 -4.868 1.00 0.00 C ATOM 305 OD1 ASP A 23 -7.794 4.957 -4.176 1.00 0.00 O ATOM 306 OD2 ASP A 23 -8.671 6.815 -5.034 1.00 0.00 O ATOM 0 H ASP A 23 -3.807 5.910 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.127 4.161 -5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.841 6.980 -4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.635 6.806 -6.514 1.00 0.00 H new ATOM 311 N THR A 24 -4.076 5.834 -7.618 1.00 0.00 N ATOM 312 CA THR A 24 -3.581 5.973 -8.977 1.00 0.00 C ATOM 313 C THR A 24 -3.786 4.671 -9.755 1.00 0.00 C ATOM 314 O THR A 24 -4.386 4.673 -10.828 1.00 0.00 O ATOM 315 CB THR A 24 -2.118 6.413 -8.905 1.00 0.00 C ATOM 316 OG1 THR A 24 -1.570 5.626 -7.851 1.00 0.00 O ATOM 317 CG2 THR A 24 -1.963 7.854 -8.414 1.00 0.00 C ATOM 0 H THR A 24 -3.526 6.324 -6.912 1.00 0.00 H new ATOM 0 HA THR A 24 -4.138 6.734 -9.524 1.00 0.00 H new ATOM 0 HB THR A 24 -1.661 6.314 -9.890 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.092 4.859 -8.230 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.905 8.116 -8.382 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.483 8.528 -9.095 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.390 7.946 -7.415 1.00 0.00 H new ATOM 325 N ARG A 25 -3.277 3.590 -9.182 1.00 0.00 N ATOM 326 CA ARG A 25 -3.397 2.285 -9.808 1.00 0.00 C ATOM 327 C ARG A 25 -2.965 1.187 -8.833 1.00 0.00 C ATOM 328 O ARG A 25 -2.292 0.235 -9.225 1.00 0.00 O ATOM 329 CB ARG A 25 -2.540 2.200 -11.074 1.00 0.00 C ATOM 330 CG ARG A 25 -1.165 2.830 -10.847 1.00 0.00 C ATOM 331 CD ARG A 25 -0.455 3.088 -12.178 1.00 0.00 C ATOM 332 NE ARG A 25 -0.065 4.513 -12.276 1.00 0.00 N ATOM 333 CZ ARG A 25 -0.891 5.492 -12.669 1.00 0.00 C ATOM 334 NH1 ARG A 25 -2.158 5.207 -13.003 1.00 0.00 N ATOM 335 NH2 ARG A 25 -0.452 6.757 -12.727 1.00 0.00 N ATOM 0 H ARG A 25 -2.781 3.592 -8.291 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.443 2.143 -10.081 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.422 1.157 -11.369 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.046 2.708 -11.895 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.276 3.767 -10.302 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.557 2.171 -10.228 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.428 2.454 -12.257 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.112 2.824 -13.007 1.00 0.00 H new ATOM 0 HE ARG A 25 0.892 4.765 -12.029 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.493 4.245 -12.958 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.787 5.953 -13.302 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.511 6.975 -12.472 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.081 7.502 -13.026 1.00 0.00 H new ATOM 349 N ILE A 26 -3.368 1.358 -7.583 1.00 0.00 N ATOM 350 CA ILE A 26 -3.031 0.393 -6.550 1.00 0.00 C ATOM 351 C ILE A 26 -4.318 -0.194 -5.967 1.00 0.00 C ATOM 352 O ILE A 26 -4.510 -1.409 -5.974 1.00 0.00 O ATOM 353 CB ILE A 26 -2.115 1.029 -5.502 1.00 0.00 C ATOM 354 CG1 ILE A 26 -0.822 1.538 -6.142 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.843 0.059 -4.351 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.210 1.906 -5.073 1.00 0.00 C ATOM 0 H ILE A 26 -3.925 2.150 -7.262 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.465 -0.437 -6.973 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.627 1.894 -5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.412 0.772 -6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.037 2.409 -6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.190 0.536 -3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.785 -0.212 -3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.361 -0.839 -4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.120 2.265 -5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.194 2.689 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.440 1.027 -4.472 1.00 0.00 H new ATOM 368 N ARG A 27 -5.167 0.698 -5.474 1.00 0.00 N ATOM 369 CA ARG A 27 -6.430 0.283 -4.889 1.00 0.00 C ATOM 370 C ARG A 27 -7.322 -0.361 -5.951 1.00 0.00 C ATOM 371 O ARG A 27 -7.862 -1.446 -5.739 1.00 0.00 O ATOM 372 CB ARG A 27 -7.166 1.472 -4.267 1.00 0.00 C ATOM 373 CG ARG A 27 -8.665 1.404 -4.562 1.00 0.00 C ATOM 374 CD ARG A 27 -9.393 2.620 -3.984 1.00 0.00 C ATOM 375 NE ARG A 27 -10.609 2.186 -3.261 1.00 0.00 N ATOM 376 CZ ARG A 27 -11.211 2.903 -2.303 1.00 0.00 C ATOM 377 NH1 ARG A 27 -10.712 4.095 -1.946 1.00 0.00 N ATOM 378 NH2 ARG A 27 -12.310 2.429 -1.701 1.00 0.00 N ATOM 0 H ARG A 27 -5.004 1.705 -5.468 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.210 -0.443 -4.107 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.004 1.481 -3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.757 2.403 -4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.826 1.357 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.082 0.491 -4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.732 3.162 -3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.663 3.308 -4.786 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.015 1.283 -3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.875 4.455 -2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.170 4.642 -1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.689 1.522 -1.972 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.768 2.976 -0.972 1.00 0.00 H new ATOM 392 N PRO A 28 -7.454 0.354 -7.101 1.00 0.00 N ATOM 393 CA PRO A 28 -8.272 -0.137 -8.197 1.00 0.00 C ATOM 394 C PRO A 28 -7.567 -1.273 -8.942 1.00 0.00 C ATOM 395 O PRO A 28 -8.179 -1.956 -9.762 1.00 0.00 O ATOM 396 CB PRO A 28 -8.527 1.079 -9.072 1.00 0.00 C ATOM 397 CG PRO A 28 -7.465 2.098 -8.690 1.00 0.00 C ATOM 398 CD PRO A 28 -6.830 1.641 -7.386 1.00 0.00 C ATOM 0 HA PRO A 28 -9.212 -0.572 -7.858 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.458 0.821 -10.129 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.528 1.477 -8.905 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.712 2.177 -9.474 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.909 3.087 -8.573 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.749 1.544 -7.485 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.014 2.356 -6.584 1.00 0.00 H new ATOM 406 N THR A 29 -6.289 -1.438 -8.630 1.00 0.00 N ATOM 407 CA THR A 29 -5.495 -2.479 -9.260 1.00 0.00 C ATOM 408 C THR A 29 -5.431 -3.717 -8.363 1.00 0.00 C ATOM 409 O THR A 29 -5.085 -4.803 -8.824 1.00 0.00 O ATOM 410 CB THR A 29 -4.120 -1.892 -9.586 1.00 0.00 C ATOM 411 OG1 THR A 29 -4.367 -1.014 -10.680 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.157 -2.937 -10.154 1.00 0.00 C ATOM 0 H THR A 29 -5.785 -0.869 -7.950 1.00 0.00 H new ATOM 0 HA THR A 29 -5.950 -2.815 -10.192 1.00 0.00 H new ATOM 0 HB THR A 29 -3.689 -1.454 -8.685 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.525 -0.601 -10.965 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.196 -2.468 -10.368 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.017 -3.736 -9.426 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.571 -3.352 -11.073 1.00 0.00 H new ATOM 420 N VAL A 30 -5.770 -3.511 -7.099 1.00 0.00 N ATOM 421 CA VAL A 30 -5.755 -4.597 -6.134 1.00 0.00 C ATOM 422 C VAL A 30 -7.158 -5.199 -6.029 1.00 0.00 C ATOM 423 O VAL A 30 -7.307 -6.408 -5.860 1.00 0.00 O ATOM 424 CB VAL A 30 -5.218 -4.096 -4.792 1.00 0.00 C ATOM 425 CG1 VAL A 30 -5.563 -5.072 -3.665 1.00 0.00 C ATOM 426 CG2 VAL A 30 -3.709 -3.851 -4.862 1.00 0.00 C ATOM 0 H VAL A 30 -6.057 -2.608 -6.721 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.084 -5.391 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.702 -3.145 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.170 -4.692 -2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.646 -5.175 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.120 -6.045 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.353 -3.495 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.201 -4.781 -5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.497 -3.102 -5.625 1.00 0.00 H new ATOM 436 N GLN A 31 -8.151 -4.328 -6.134 1.00 0.00 N ATOM 437 CA GLN A 31 -9.536 -4.760 -6.053 1.00 0.00 C ATOM 438 C GLN A 31 -9.909 -5.581 -7.289 1.00 0.00 C ATOM 439 O GLN A 31 -10.910 -6.296 -7.284 1.00 0.00 O ATOM 440 CB GLN A 31 -10.474 -3.562 -5.887 1.00 0.00 C ATOM 441 CG GLN A 31 -10.771 -2.907 -7.238 1.00 0.00 C ATOM 442 CD GLN A 31 -11.581 -1.621 -7.057 1.00 0.00 C ATOM 443 OE1 GLN A 31 -12.319 -1.451 -6.101 1.00 0.00 O ATOM 444 NE2 GLN A 31 -11.400 -0.728 -8.026 1.00 0.00 N ATOM 0 H GLN A 31 -8.024 -3.326 -6.274 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.648 -5.393 -5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.406 -3.886 -5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.022 -2.832 -5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.836 -2.683 -7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.323 -3.603 -7.870 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.767 -0.935 -8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.894 0.164 -7.997 1.00 0.00 H new ATOM 453 N GLU A 32 -9.084 -5.452 -8.317 1.00 0.00 N ATOM 454 CA GLU A 32 -9.315 -6.174 -9.557 1.00 0.00 C ATOM 455 C GLU A 32 -8.886 -7.635 -9.408 1.00 0.00 C ATOM 456 O GLU A 32 -9.005 -8.419 -10.348 1.00 0.00 O ATOM 457 CB GLU A 32 -8.586 -5.504 -10.724 1.00 0.00 C ATOM 458 CG GLU A 32 -9.561 -5.160 -11.853 1.00 0.00 C ATOM 459 CD GLU A 32 -8.810 -4.869 -13.155 1.00 0.00 C ATOM 460 OE1 GLU A 32 -7.772 -4.180 -13.069 1.00 0.00 O ATOM 461 OE2 GLU A 32 -9.294 -5.343 -14.206 1.00 0.00 O ATOM 0 H GLU A 32 -8.255 -4.858 -8.317 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.382 -6.150 -9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.092 -4.597 -10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.807 -6.167 -11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.254 -5.988 -12.005 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.158 -4.293 -11.571 1.00 0.00 H new ATOM 468 N ASP A 33 -8.396 -7.957 -8.220 1.00 0.00 N ATOM 469 CA ASP A 33 -7.948 -9.310 -7.936 1.00 0.00 C ATOM 470 C ASP A 33 -8.558 -9.777 -6.612 1.00 0.00 C ATOM 471 O ASP A 33 -7.923 -10.510 -5.857 1.00 0.00 O ATOM 472 CB ASP A 33 -6.426 -9.369 -7.802 1.00 0.00 C ATOM 473 CG ASP A 33 -5.828 -10.778 -7.836 1.00 0.00 C ATOM 474 OD1 ASP A 33 -6.570 -11.699 -8.242 1.00 0.00 O ATOM 475 OD2 ASP A 33 -4.644 -10.902 -7.458 1.00 0.00 O ATOM 0 H ASP A 33 -8.299 -7.304 -7.442 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.262 -9.950 -8.761 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.982 -8.783 -8.607 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.140 -8.892 -6.865 1.00 0.00 H new ATOM 480 N GLY A 34 -9.784 -9.333 -6.374 1.00 0.00 N ATOM 481 CA GLY A 34 -10.487 -9.696 -5.155 1.00 0.00 C ATOM 482 C GLY A 34 -9.697 -9.263 -3.917 1.00 0.00 C ATOM 483 O GLY A 34 -8.977 -10.064 -3.324 1.00 0.00 O ATOM 0 H GLY A 34 -10.308 -8.726 -7.004 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.471 -9.227 -5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.647 -10.774 -5.130 1.00 0.00 H new ATOM 487 N GLY A 35 -9.861 -7.997 -3.564 1.00 0.00 N ATOM 488 CA GLY A 35 -9.173 -7.448 -2.407 1.00 0.00 C ATOM 489 C GLY A 35 -9.376 -5.933 -2.317 1.00 0.00 C ATOM 490 O GLY A 35 -10.180 -5.366 -3.054 1.00 0.00 O ATOM 0 H GLY A 35 -10.460 -7.335 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.545 -7.923 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.108 -7.673 -2.472 1.00 0.00 H new ATOM 494 N ASP A 36 -8.634 -5.323 -1.405 1.00 0.00 N ATOM 495 CA ASP A 36 -8.723 -3.886 -1.207 1.00 0.00 C ATOM 496 C ASP A 36 -7.540 -3.419 -0.357 1.00 0.00 C ATOM 497 O ASP A 36 -7.233 -4.021 0.671 1.00 0.00 O ATOM 498 CB ASP A 36 -10.010 -3.509 -0.473 1.00 0.00 C ATOM 499 CG ASP A 36 -11.247 -3.376 -1.364 1.00 0.00 C ATOM 500 OD1 ASP A 36 -11.076 -2.891 -2.504 1.00 0.00 O ATOM 501 OD2 ASP A 36 -12.335 -3.759 -0.886 1.00 0.00 O ATOM 0 H ASP A 36 -7.968 -5.797 -0.795 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.715 -3.410 -2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.209 -4.262 0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.851 -2.564 0.046 1.00 0.00 H new ATOM 506 N VAL A 37 -6.907 -2.351 -0.817 1.00 0.00 N ATOM 507 CA VAL A 37 -5.764 -1.795 -0.112 1.00 0.00 C ATOM 508 C VAL A 37 -6.239 -0.680 0.822 1.00 0.00 C ATOM 509 O VAL A 37 -6.995 0.199 0.411 1.00 0.00 O ATOM 510 CB VAL A 37 -4.708 -1.325 -1.114 1.00 0.00 C ATOM 511 CG1 VAL A 37 -5.197 -0.102 -1.893 1.00 0.00 C ATOM 512 CG2 VAL A 37 -3.379 -1.034 -0.415 1.00 0.00 C ATOM 0 H VAL A 37 -7.164 -1.855 -1.670 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.290 -2.557 0.506 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.541 -2.132 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.427 0.212 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.106 -0.357 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.406 0.712 -1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.646 -0.702 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.524 -0.253 0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.019 -1.940 0.073 1.00 0.00 H new ATOM 522 N ILE A 38 -5.777 -0.754 2.061 1.00 0.00 N ATOM 523 CA ILE A 38 -6.145 0.238 3.057 1.00 0.00 C ATOM 524 C ILE A 38 -4.888 0.709 3.791 1.00 0.00 C ATOM 525 O ILE A 38 -4.396 0.026 4.688 1.00 0.00 O ATOM 526 CB ILE A 38 -7.229 -0.312 3.986 1.00 0.00 C ATOM 527 CG1 ILE A 38 -8.246 -1.148 3.207 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.898 0.815 4.776 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.784 -2.601 3.085 1.00 0.00 C ATOM 0 H ILE A 38 -5.151 -1.485 2.398 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.582 1.114 2.578 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.755 -0.975 4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.213 -1.111 3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.386 -0.723 2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.664 0.397 5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.150 1.330 5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.357 1.522 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.525 -3.173 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.829 -2.636 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.668 -3.031 4.080 1.00 0.00 H new ATOM 541 N TYR A 39 -4.403 1.872 3.383 1.00 0.00 N ATOM 542 CA TYR A 39 -3.213 2.442 3.989 1.00 0.00 C ATOM 543 C TYR A 39 -3.501 2.929 5.411 1.00 0.00 C ATOM 544 O TYR A 39 -4.102 3.985 5.601 1.00 0.00 O ATOM 545 CB TYR A 39 -2.830 3.643 3.121 1.00 0.00 C ATOM 546 CG TYR A 39 -1.900 4.641 3.815 1.00 0.00 C ATOM 547 CD1 TYR A 39 -1.101 4.228 4.861 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.862 5.955 3.394 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.227 5.168 5.515 1.00 0.00 C ATOM 550 CE2 TYR A 39 -0.987 6.895 4.047 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.214 6.455 5.075 1.00 0.00 C ATOM 552 OH TYR A 39 0.612 7.343 5.690 1.00 0.00 O ATOM 0 H TYR A 39 -4.814 2.436 2.639 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.419 1.697 4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.347 3.283 2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.739 4.161 2.814 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.131 3.200 5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.488 6.278 2.575 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.403 4.858 6.335 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.946 7.926 3.727 1.00 0.00 H new ATOM 0 HH TYR A 39 1.407 7.488 5.136 1.00 0.00 H new ATOM 562 N ARG A 40 -3.060 2.133 6.376 1.00 0.00 N ATOM 563 CA ARG A 40 -3.263 2.469 7.774 1.00 0.00 C ATOM 564 C ARG A 40 -1.940 2.386 8.538 1.00 0.00 C ATOM 565 O ARG A 40 -1.572 1.322 9.034 1.00 0.00 O ATOM 566 CB ARG A 40 -4.280 1.528 8.424 1.00 0.00 C ATOM 567 CG ARG A 40 -5.461 1.266 7.487 1.00 0.00 C ATOM 568 CD ARG A 40 -6.434 2.447 7.486 1.00 0.00 C ATOM 569 NE ARG A 40 -7.765 2.007 7.960 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.716 2.839 8.405 1.00 0.00 C ATOM 571 NH1 ARG A 40 -8.490 4.158 8.440 1.00 0.00 N ATOM 572 NH2 ARG A 40 -9.895 2.350 8.815 1.00 0.00 N ATOM 0 H ARG A 40 -2.563 1.257 6.216 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.648 3.488 7.818 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.797 0.585 8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.640 1.964 9.356 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.095 1.091 6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.983 0.361 7.798 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.055 3.242 8.128 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.515 2.861 6.481 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.971 1.008 7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.593 4.530 8.128 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.215 4.791 8.779 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.067 1.345 8.788 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.620 2.983 9.154 1.00 0.00 H new ATOM 586 N GLY A 41 -1.261 3.521 8.608 1.00 0.00 N ATOM 587 CA GLY A 41 0.012 3.590 9.304 1.00 0.00 C ATOM 588 C GLY A 41 1.173 3.701 8.312 1.00 0.00 C ATOM 589 O GLY A 41 1.177 3.033 7.279 1.00 0.00 O ATOM 0 H GLY A 41 -1.569 4.401 8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.018 4.449 9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.141 2.702 9.923 1.00 0.00 H new ATOM 593 N PHE A 42 2.128 4.550 8.662 1.00 0.00 N ATOM 594 CA PHE A 42 3.291 4.757 7.815 1.00 0.00 C ATOM 595 C PHE A 42 4.554 4.949 8.657 1.00 0.00 C ATOM 596 O PHE A 42 4.734 5.991 9.285 1.00 0.00 O ATOM 597 CB PHE A 42 3.034 6.029 7.006 1.00 0.00 C ATOM 598 CG PHE A 42 4.150 6.375 6.018 1.00 0.00 C ATOM 599 CD1 PHE A 42 4.137 5.846 4.765 1.00 0.00 C ATOM 600 CD2 PHE A 42 5.156 7.210 6.393 1.00 0.00 C ATOM 601 CE1 PHE A 42 5.172 6.167 3.847 1.00 0.00 C ATOM 602 CE2 PHE A 42 6.192 7.531 5.476 1.00 0.00 C ATOM 603 CZ PHE A 42 6.178 7.003 4.223 1.00 0.00 C ATOM 0 H PHE A 42 2.121 5.102 9.520 1.00 0.00 H new ATOM 0 HA PHE A 42 3.443 3.890 7.172 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.099 5.915 6.457 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.900 6.864 7.694 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.339 5.181 4.468 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.167 7.629 7.388 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.161 5.748 2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.991 8.194 5.774 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.966 7.247 3.526 1.00 0.00 H new ATOM 613 N GLU A 43 5.397 3.927 8.642 1.00 0.00 N ATOM 614 CA GLU A 43 6.638 3.971 9.396 1.00 0.00 C ATOM 615 C GLU A 43 7.812 4.292 8.469 1.00 0.00 C ATOM 616 O GLU A 43 8.305 3.415 7.761 1.00 0.00 O ATOM 617 CB GLU A 43 6.873 2.656 10.143 1.00 0.00 C ATOM 618 CG GLU A 43 7.231 2.914 11.608 1.00 0.00 C ATOM 619 CD GLU A 43 8.671 2.486 11.904 1.00 0.00 C ATOM 620 OE1 GLU A 43 9.091 1.467 11.317 1.00 0.00 O ATOM 621 OE2 GLU A 43 9.317 3.189 12.710 1.00 0.00 O ATOM 0 H GLU A 43 5.245 3.064 8.120 1.00 0.00 H new ATOM 0 HA GLU A 43 6.560 4.764 10.139 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.978 2.037 10.087 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.676 2.099 9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.109 3.973 11.835 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.545 2.368 12.255 1.00 0.00 H new ATOM 628 N ASP A 44 8.226 5.549 8.503 1.00 0.00 N ATOM 629 CA ASP A 44 9.332 5.996 7.674 1.00 0.00 C ATOM 630 C ASP A 44 8.958 5.833 6.199 1.00 0.00 C ATOM 631 O ASP A 44 8.646 6.811 5.522 1.00 0.00 O ATOM 632 CB ASP A 44 10.589 5.165 7.938 1.00 0.00 C ATOM 633 CG ASP A 44 11.616 5.821 8.864 1.00 0.00 C ATOM 634 OD1 ASP A 44 11.611 7.070 8.922 1.00 0.00 O ATOM 635 OD2 ASP A 44 12.383 5.059 9.491 1.00 0.00 O ATOM 0 H ASP A 44 7.815 6.273 9.092 1.00 0.00 H new ATOM 0 HA ASP A 44 9.533 7.040 7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.291 4.210 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.069 4.947 6.984 1.00 0.00 H new ATOM 640 N GLY A 45 9.001 4.589 5.746 1.00 0.00 N ATOM 641 CA GLY A 45 8.670 4.284 4.364 1.00 0.00 C ATOM 642 C GLY A 45 7.654 3.143 4.283 1.00 0.00 C ATOM 643 O GLY A 45 6.770 3.154 3.426 1.00 0.00 O ATOM 0 H GLY A 45 9.260 3.780 6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.265 5.172 3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.575 4.009 3.822 1.00 0.00 H new ATOM 647 N ILE A 46 7.812 2.186 5.185 1.00 0.00 N ATOM 648 CA ILE A 46 6.920 1.040 5.226 1.00 0.00 C ATOM 649 C ILE A 46 5.481 1.527 5.405 1.00 0.00 C ATOM 650 O ILE A 46 5.067 1.854 6.516 1.00 0.00 O ATOM 651 CB ILE A 46 7.372 0.047 6.297 1.00 0.00 C ATOM 652 CG1 ILE A 46 8.811 -0.411 6.049 1.00 0.00 C ATOM 653 CG2 ILE A 46 6.404 -1.134 6.394 1.00 0.00 C ATOM 654 CD1 ILE A 46 8.899 -1.291 4.800 1.00 0.00 C ATOM 0 H ILE A 46 8.545 2.181 5.894 1.00 0.00 H new ATOM 0 HA ILE A 46 6.957 0.494 4.284 1.00 0.00 H new ATOM 0 HB ILE A 46 7.358 0.556 7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.458 0.458 5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.174 -0.965 6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.749 -1.825 7.163 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.410 -0.769 6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.362 -1.650 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.932 -1.603 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.270 -2.171 4.930 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.558 -0.726 3.932 1.00 0.00 H new ATOM 666 N VAL A 47 4.758 1.559 4.295 1.00 0.00 N ATOM 667 CA VAL A 47 3.374 2.000 4.317 1.00 0.00 C ATOM 668 C VAL A 47 2.470 0.813 4.660 1.00 0.00 C ATOM 669 O VAL A 47 2.359 -0.132 3.883 1.00 0.00 O ATOM 670 CB VAL A 47 3.014 2.658 2.984 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.689 3.417 3.087 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.137 3.580 2.506 1.00 0.00 C ATOM 0 H VAL A 47 5.105 1.287 3.375 1.00 0.00 H new ATOM 0 HA VAL A 47 3.226 2.755 5.089 1.00 0.00 H new ATOM 0 HB VAL A 47 2.891 1.868 2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.457 3.875 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.893 2.724 3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.772 4.193 3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.855 4.035 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.306 4.362 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.051 3.001 2.374 1.00 0.00 H new ATOM 682 N ARG A 48 1.848 0.903 5.827 1.00 0.00 N ATOM 683 CA ARG A 48 0.958 -0.151 6.283 1.00 0.00 C ATOM 684 C ARG A 48 -0.312 -0.179 5.431 1.00 0.00 C ATOM 685 O ARG A 48 -1.149 0.717 5.526 1.00 0.00 O ATOM 686 CB ARG A 48 0.574 0.049 7.751 1.00 0.00 C ATOM 687 CG ARG A 48 1.726 -0.345 8.677 1.00 0.00 C ATOM 688 CD ARG A 48 1.298 -0.281 10.144 1.00 0.00 C ATOM 689 NE ARG A 48 2.211 -1.097 10.975 1.00 0.00 N ATOM 690 CZ ARG A 48 3.402 -0.674 11.420 1.00 0.00 C ATOM 691 NH1 ARG A 48 3.831 0.559 11.117 1.00 0.00 N ATOM 692 NH2 ARG A 48 4.163 -1.483 12.169 1.00 0.00 N ATOM 0 H ARG A 48 1.943 1.689 6.470 1.00 0.00 H new ATOM 0 HA ARG A 48 1.488 -1.098 6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.306 1.092 7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.307 -0.549 7.985 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.062 -1.354 8.436 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.573 0.321 8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.306 0.753 10.489 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.276 -0.644 10.249 1.00 0.00 H new ATOM 0 HE ARG A 48 1.915 -2.041 11.225 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.251 1.175 10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.738 0.881 11.456 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.836 -2.421 12.401 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.070 -1.161 12.508 1.00 0.00 H new ATOM 706 N LEU A 49 -0.416 -1.219 4.616 1.00 0.00 N ATOM 707 CA LEU A 49 -1.570 -1.375 3.746 1.00 0.00 C ATOM 708 C LEU A 49 -2.158 -2.775 3.934 1.00 0.00 C ATOM 709 O LEU A 49 -1.437 -3.770 3.866 1.00 0.00 O ATOM 710 CB LEU A 49 -1.197 -1.054 2.298 1.00 0.00 C ATOM 711 CG LEU A 49 -0.196 0.085 2.100 1.00 0.00 C ATOM 712 CD1 LEU A 49 0.808 -0.252 0.996 1.00 0.00 C ATOM 713 CD2 LEU A 49 -0.917 1.409 1.834 1.00 0.00 C ATOM 0 H LEU A 49 0.279 -1.961 4.540 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.349 -0.662 4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.787 -1.955 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.109 -0.808 1.755 1.00 0.00 H new ATOM 0 HG LEU A 49 0.370 0.206 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.508 0.575 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.356 -1.155 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.277 -0.416 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.182 2.202 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.525 1.318 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.558 1.651 2.682 1.00 0.00 H new ATOM 725 N LYS A 50 -3.462 -2.809 4.167 1.00 0.00 N ATOM 726 CA LYS A 50 -4.154 -4.070 4.365 1.00 0.00 C ATOM 727 C LYS A 50 -4.745 -4.538 3.033 1.00 0.00 C ATOM 728 O LYS A 50 -5.963 -4.566 2.866 1.00 0.00 O ATOM 729 CB LYS A 50 -5.189 -3.943 5.485 1.00 0.00 C ATOM 730 CG LYS A 50 -5.971 -5.247 5.660 1.00 0.00 C ATOM 731 CD LYS A 50 -6.881 -5.180 6.888 1.00 0.00 C ATOM 732 CE LYS A 50 -8.156 -4.391 6.583 1.00 0.00 C ATOM 733 NZ LYS A 50 -9.344 -5.105 7.101 1.00 0.00 N ATOM 0 H LYS A 50 -4.057 -1.983 4.223 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.455 -4.840 4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.689 -3.686 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.878 -3.129 5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.570 -5.439 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.276 -6.081 5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.141 -6.189 7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.348 -4.711 7.715 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.094 -3.401 7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.252 -4.246 5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.200 -4.556 6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.410 -6.040 6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.257 -5.221 8.131 1.00 0.00 H new ATOM 747 N LEU A 51 -3.854 -4.893 2.120 1.00 0.00 N ATOM 748 CA LEU A 51 -4.271 -5.357 0.807 1.00 0.00 C ATOM 749 C LEU A 51 -4.519 -6.866 0.861 1.00 0.00 C ATOM 750 O LEU A 51 -4.050 -7.543 1.775 1.00 0.00 O ATOM 751 CB LEU A 51 -3.256 -4.937 -0.258 1.00 0.00 C ATOM 752 CG LEU A 51 -2.079 -5.889 -0.475 1.00 0.00 C ATOM 753 CD1 LEU A 51 -1.347 -6.164 0.841 1.00 0.00 C ATOM 754 CD2 LEU A 51 -2.535 -7.180 -1.157 1.00 0.00 C ATOM 0 H LEU A 51 -2.844 -4.869 2.263 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.212 -4.889 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.781 -4.819 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.861 -3.958 0.012 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.368 -5.405 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.514 -6.844 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.968 -5.227 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.037 -6.617 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.678 -7.839 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.277 -7.679 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.976 -6.944 -2.126 1.00 0.00 H new ATOM 766 N GLN A 52 -5.252 -7.349 -0.132 1.00 0.00 N ATOM 767 CA GLN A 52 -5.567 -8.766 -0.210 1.00 0.00 C ATOM 768 C GLN A 52 -5.879 -9.161 -1.655 1.00 0.00 C ATOM 769 O GLN A 52 -6.005 -8.300 -2.524 1.00 0.00 O ATOM 770 CB GLN A 52 -6.729 -9.121 0.719 1.00 0.00 C ATOM 771 CG GLN A 52 -8.018 -8.427 0.275 1.00 0.00 C ATOM 772 CD GLN A 52 -8.712 -7.750 1.459 1.00 0.00 C ATOM 773 OE1 GLN A 52 -8.389 -7.975 2.614 1.00 0.00 O ATOM 774 NE2 GLN A 52 -9.681 -6.908 1.109 1.00 0.00 N ATOM 0 H GLN A 52 -5.637 -6.784 -0.889 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.696 -9.331 0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.877 -10.201 0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.486 -8.826 1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.791 -7.685 -0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.691 -9.156 -0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.901 -6.765 0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.204 -6.405 1.826 1.00 0.00 H new ATOM 783 N GLY A 53 -5.995 -10.463 -1.866 1.00 0.00 N ATOM 784 CA GLY A 53 -6.291 -10.983 -3.189 1.00 0.00 C ATOM 785 C GLY A 53 -5.007 -11.373 -3.925 1.00 0.00 C ATOM 786 O GLY A 53 -4.902 -12.477 -4.457 1.00 0.00 O ATOM 0 H GLY A 53 -5.889 -11.174 -1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.944 -11.852 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.832 -10.233 -3.766 1.00 0.00 H new ATOM 790 N SER A 54 -4.060 -10.445 -3.930 1.00 0.00 N ATOM 791 CA SER A 54 -2.788 -10.678 -4.591 1.00 0.00 C ATOM 792 C SER A 54 -2.223 -12.037 -4.173 1.00 0.00 C ATOM 793 O SER A 54 -1.730 -12.792 -5.010 1.00 0.00 O ATOM 794 CB SER A 54 -1.788 -9.565 -4.268 1.00 0.00 C ATOM 795 OG SER A 54 -0.780 -9.447 -5.269 1.00 0.00 O ATOM 0 H SER A 54 -4.149 -9.531 -3.487 1.00 0.00 H new ATOM 0 HA SER A 54 -2.956 -10.677 -5.668 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.318 -8.617 -4.174 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.320 -9.766 -3.304 1.00 0.00 H new ATOM 0 HG SER A 54 -0.162 -8.725 -5.028 1.00 0.00 H new ATOM 801 N CYS A 55 -2.310 -12.306 -2.879 1.00 0.00 N ATOM 802 CA CYS A 55 -1.814 -13.561 -2.340 1.00 0.00 C ATOM 803 C CYS A 55 -0.287 -13.549 -2.427 1.00 0.00 C ATOM 804 O CYS A 55 0.283 -12.970 -3.350 1.00 0.00 O ATOM 805 CB CYS A 55 -2.417 -14.766 -3.065 1.00 0.00 C ATOM 806 SG CYS A 55 -3.710 -15.539 -2.026 1.00 0.00 S ATOM 0 H CYS A 55 -2.717 -11.676 -2.187 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.118 -13.658 -1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.844 -14.452 -4.017 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.637 -15.493 -3.290 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.217 -16.559 -2.652 1.00 0.00 H new ATOM 812 N THR A 56 0.334 -14.196 -1.450 1.00 0.00 N ATOM 813 CA THR A 56 1.785 -14.267 -1.404 1.00 0.00 C ATOM 814 C THR A 56 2.274 -15.579 -2.020 1.00 0.00 C ATOM 815 O THR A 56 3.478 -15.811 -2.120 1.00 0.00 O ATOM 816 CB THR A 56 2.221 -14.079 0.050 1.00 0.00 C ATOM 817 OG1 THR A 56 3.643 -14.014 -0.020 1.00 0.00 O ATOM 818 CG2 THR A 56 1.945 -15.315 0.909 1.00 0.00 C ATOM 0 H THR A 56 -0.141 -14.675 -0.685 1.00 0.00 H new ATOM 0 HA THR A 56 2.239 -13.475 -2.000 1.00 0.00 H new ATOM 0 HB THR A 56 1.704 -13.219 0.476 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.972 -14.701 -0.637 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.273 -15.128 1.931 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.876 -15.530 0.905 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.488 -16.169 0.504 1.00 0.00 H new ATOM 826 N SER A 57 1.315 -16.402 -2.419 1.00 0.00 N ATOM 827 CA SER A 57 1.634 -17.685 -3.022 1.00 0.00 C ATOM 828 C SER A 57 2.114 -17.481 -4.460 1.00 0.00 C ATOM 829 O SER A 57 1.442 -17.888 -5.407 1.00 0.00 O ATOM 830 CB SER A 57 0.425 -18.623 -2.994 1.00 0.00 C ATOM 831 OG SER A 57 0.027 -18.940 -1.663 1.00 0.00 O ATOM 0 H SER A 57 0.318 -16.205 -2.337 1.00 0.00 H new ATOM 0 HA SER A 57 2.432 -18.148 -2.441 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.408 -18.157 -3.520 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.666 -19.542 -3.529 1.00 0.00 H new ATOM 0 HG SER A 57 -0.748 -19.539 -1.687 1.00 0.00 H new ATOM 837 N CYS A 58 3.274 -16.852 -4.580 1.00 0.00 N ATOM 838 CA CYS A 58 3.852 -16.590 -5.886 1.00 0.00 C ATOM 839 C CYS A 58 5.011 -15.607 -5.711 1.00 0.00 C ATOM 840 O CYS A 58 4.794 -14.432 -5.418 1.00 0.00 O ATOM 841 CB CYS A 58 2.806 -16.067 -6.873 1.00 0.00 C ATOM 842 SG CYS A 58 1.672 -14.906 -6.027 1.00 0.00 S ATOM 0 H CYS A 58 3.829 -16.516 -3.793 1.00 0.00 H new ATOM 0 HA CYS A 58 4.227 -17.520 -6.313 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.299 -15.565 -7.706 1.00 0.00 H new ATOM 0 HB3 CYS A 58 2.241 -16.900 -7.292 1.00 0.00 H new ATOM 0 HG CYS A 58 0.789 -14.467 -6.874 1.00 0.00 H new ATOM 848 N PRO A 59 6.249 -16.137 -5.901 1.00 0.00 N ATOM 849 CA PRO A 59 7.443 -15.319 -5.767 1.00 0.00 C ATOM 850 C PRO A 59 7.614 -14.396 -6.975 1.00 0.00 C ATOM 851 O PRO A 59 7.885 -13.206 -6.818 1.00 0.00 O ATOM 852 CB PRO A 59 8.584 -16.311 -5.611 1.00 0.00 C ATOM 853 CG PRO A 59 8.054 -17.639 -6.128 1.00 0.00 C ATOM 854 CD PRO A 59 6.544 -17.524 -6.250 1.00 0.00 C ATOM 0 HA PRO A 59 7.398 -14.646 -4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.459 -15.992 -6.177 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.891 -16.392 -4.568 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.498 -17.876 -7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.321 -18.447 -5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.209 -17.758 -7.261 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.038 -18.218 -5.578 1.00 0.00 H new ATOM 862 N SER A 60 7.448 -14.979 -8.153 1.00 0.00 N ATOM 863 CA SER A 60 7.580 -14.223 -9.387 1.00 0.00 C ATOM 864 C SER A 60 6.587 -13.058 -9.397 1.00 0.00 C ATOM 865 O SER A 60 6.987 -11.897 -9.336 1.00 0.00 O ATOM 866 CB SER A 60 7.359 -15.118 -10.607 1.00 0.00 C ATOM 867 OG SER A 60 8.499 -15.929 -10.888 1.00 0.00 O ATOM 0 H SER A 60 7.223 -15.966 -8.279 1.00 0.00 H new ATOM 0 HA SER A 60 8.594 -13.828 -9.438 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.493 -15.757 -10.436 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.132 -14.499 -11.475 1.00 0.00 H new ATOM 0 HG SER A 60 8.318 -16.487 -11.673 1.00 0.00 H new ATOM 873 N SER A 61 5.313 -13.410 -9.475 1.00 0.00 N ATOM 874 CA SER A 61 4.260 -12.409 -9.494 1.00 0.00 C ATOM 875 C SER A 61 4.550 -11.325 -8.455 1.00 0.00 C ATOM 876 O SER A 61 4.182 -10.166 -8.642 1.00 0.00 O ATOM 877 CB SER A 61 2.892 -13.043 -9.233 1.00 0.00 C ATOM 878 OG SER A 61 2.622 -14.119 -10.128 1.00 0.00 O ATOM 0 H SER A 61 4.985 -14.375 -9.526 1.00 0.00 H new ATOM 0 HA SER A 61 4.237 -11.956 -10.485 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.851 -13.407 -8.206 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.116 -12.284 -9.334 1.00 0.00 H new ATOM 0 HG SER A 61 1.741 -14.498 -9.928 1.00 0.00 H new ATOM 884 N ILE A 62 5.208 -11.740 -7.382 1.00 0.00 N ATOM 885 CA ILE A 62 5.551 -10.818 -6.312 1.00 0.00 C ATOM 886 C ILE A 62 6.637 -9.858 -6.801 1.00 0.00 C ATOM 887 O ILE A 62 6.423 -8.648 -6.852 1.00 0.00 O ATOM 888 CB ILE A 62 5.935 -11.586 -5.046 1.00 0.00 C ATOM 889 CG1 ILE A 62 4.739 -11.717 -4.101 1.00 0.00 C ATOM 890 CG2 ILE A 62 7.142 -10.944 -4.359 1.00 0.00 C ATOM 891 CD1 ILE A 62 5.145 -12.405 -2.795 1.00 0.00 C ATOM 0 H ILE A 62 5.513 -12.702 -7.231 1.00 0.00 H new ATOM 0 HA ILE A 62 4.687 -10.212 -6.040 1.00 0.00 H new ATOM 0 HB ILE A 62 6.229 -12.595 -5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.332 -10.729 -3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.948 -12.288 -4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.394 -11.510 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.993 -10.947 -5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.901 -9.917 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.277 -12.486 -2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.529 -13.402 -3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.919 -11.818 -2.300 1.00 0.00 H new ATOM 903 N ILE A 63 7.778 -10.434 -7.150 1.00 0.00 N ATOM 904 CA ILE A 63 8.898 -9.644 -7.633 1.00 0.00 C ATOM 905 C ILE A 63 8.454 -8.830 -8.850 1.00 0.00 C ATOM 906 O ILE A 63 9.110 -7.858 -9.224 1.00 0.00 O ATOM 907 CB ILE A 63 10.109 -10.539 -7.901 1.00 0.00 C ATOM 908 CG1 ILE A 63 10.505 -11.316 -6.644 1.00 0.00 C ATOM 909 CG2 ILE A 63 11.277 -9.728 -8.464 1.00 0.00 C ATOM 910 CD1 ILE A 63 11.329 -12.555 -7.001 1.00 0.00 C ATOM 0 H ILE A 63 7.951 -11.438 -7.108 1.00 0.00 H new ATOM 0 HA ILE A 63 9.219 -8.933 -6.872 1.00 0.00 H new ATOM 0 HB ILE A 63 9.831 -11.271 -8.659 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.081 -10.671 -5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.609 -11.615 -6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 63 12.125 -10.389 -8.645 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.976 -9.258 -9.401 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.564 -8.958 -7.748 1.00 0.00 H new ATOM 0 HD11 ILE A 63 11.597 -13.089 -6.089 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.742 -13.209 -7.645 1.00 0.00 H new ATOM 0 HD13 ILE A 63 12.236 -12.251 -7.523 1.00 0.00 H new ATOM 922 N THR A 64 7.344 -9.256 -9.435 1.00 0.00 N ATOM 923 CA THR A 64 6.805 -8.579 -10.602 1.00 0.00 C ATOM 924 C THR A 64 5.852 -7.461 -10.177 1.00 0.00 C ATOM 925 O THR A 64 6.066 -6.296 -10.510 1.00 0.00 O ATOM 926 CB THR A 64 6.147 -9.631 -11.497 1.00 0.00 C ATOM 927 OG1 THR A 64 7.206 -10.531 -11.810 1.00 0.00 O ATOM 928 CG2 THR A 64 5.727 -9.064 -12.854 1.00 0.00 C ATOM 0 H THR A 64 6.803 -10.062 -9.122 1.00 0.00 H new ATOM 0 HA THR A 64 7.593 -8.091 -11.175 1.00 0.00 H new ATOM 0 HB THR A 64 5.275 -10.045 -10.991 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.309 -11.180 -11.083 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.266 -9.851 -13.450 1.00 0.00 H new ATOM 0 HG22 THR A 64 5.012 -8.255 -12.705 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.604 -8.681 -13.375 1.00 0.00 H new ATOM 936 N LEU A 65 4.818 -7.854 -9.447 1.00 0.00 N ATOM 937 CA LEU A 65 3.830 -6.899 -8.973 1.00 0.00 C ATOM 938 C LEU A 65 4.337 -6.246 -7.685 1.00 0.00 C ATOM 939 O LEU A 65 4.574 -5.039 -7.648 1.00 0.00 O ATOM 940 CB LEU A 65 2.464 -7.570 -8.825 1.00 0.00 C ATOM 941 CG LEU A 65 1.585 -7.586 -10.078 1.00 0.00 C ATOM 942 CD1 LEU A 65 1.323 -6.165 -10.582 1.00 0.00 C ATOM 943 CD2 LEU A 65 2.195 -8.475 -11.164 1.00 0.00 C ATOM 0 H LEU A 65 4.643 -8.821 -9.172 1.00 0.00 H new ATOM 0 HA LEU A 65 3.690 -6.101 -9.703 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.620 -8.599 -8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.918 -7.065 -8.028 1.00 0.00 H new ATOM 0 HG LEU A 65 0.620 -8.017 -9.813 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.696 -6.205 -11.473 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.815 -5.592 -9.806 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.271 -5.685 -10.826 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.551 -8.469 -12.043 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.181 -8.096 -11.433 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.288 -9.494 -10.790 1.00 0.00 H new ATOM 955 N LYS A 66 4.487 -7.071 -6.659 1.00 0.00 N ATOM 956 CA LYS A 66 4.961 -6.589 -5.373 1.00 0.00 C ATOM 957 C LYS A 66 6.078 -5.568 -5.597 1.00 0.00 C ATOM 958 O LYS A 66 5.998 -4.439 -5.115 1.00 0.00 O ATOM 959 CB LYS A 66 5.367 -7.761 -4.478 1.00 0.00 C ATOM 960 CG LYS A 66 5.118 -7.437 -3.004 1.00 0.00 C ATOM 961 CD LYS A 66 6.361 -6.817 -2.361 1.00 0.00 C ATOM 962 CE LYS A 66 7.373 -7.897 -1.974 1.00 0.00 C ATOM 963 NZ LYS A 66 7.918 -7.636 -0.622 1.00 0.00 N ATOM 0 H LYS A 66 4.288 -8.071 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 66 4.161 -6.075 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.803 -8.650 -4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.421 -7.991 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.277 -6.749 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.843 -8.346 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.821 -6.114 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.073 -6.250 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.895 -8.876 -1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.184 -7.921 -2.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.603 -8.378 -0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.392 -6.710 -0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.142 -7.636 0.071 1.00 0.00 H new ATOM 977 N SER A 67 7.095 -6.002 -6.327 1.00 0.00 N ATOM 978 CA SER A 67 8.228 -5.140 -6.620 1.00 0.00 C ATOM 979 C SER A 67 7.776 -3.952 -7.472 1.00 0.00 C ATOM 980 O SER A 67 7.942 -2.801 -7.075 1.00 0.00 O ATOM 981 CB SER A 67 9.337 -5.914 -7.334 1.00 0.00 C ATOM 982 OG SER A 67 10.631 -5.561 -6.851 1.00 0.00 O ATOM 0 H SER A 67 7.158 -6.939 -6.724 1.00 0.00 H new ATOM 0 HA SER A 67 8.629 -4.770 -5.677 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.178 -6.984 -7.197 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.284 -5.718 -8.405 1.00 0.00 H new ATOM 0 HG SER A 67 11.311 -6.078 -7.331 1.00 0.00 H new ATOM 988 N GLY A 68 7.212 -4.274 -8.627 1.00 0.00 N ATOM 989 CA GLY A 68 6.734 -3.248 -9.537 1.00 0.00 C ATOM 990 C GLY A 68 5.952 -2.169 -8.786 1.00 0.00 C ATOM 991 O GLY A 68 6.311 -0.994 -8.828 1.00 0.00 O ATOM 0 H GLY A 68 7.076 -5.231 -8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.579 -2.795 -10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.098 -3.700 -10.298 1.00 0.00 H new ATOM 995 N ILE A 69 4.896 -2.607 -8.116 1.00 0.00 N ATOM 996 CA ILE A 69 4.059 -1.693 -7.357 1.00 0.00 C ATOM 997 C ILE A 69 4.929 -0.919 -6.364 1.00 0.00 C ATOM 998 O ILE A 69 5.104 0.291 -6.498 1.00 0.00 O ATOM 999 CB ILE A 69 2.900 -2.446 -6.702 1.00 0.00 C ATOM 1000 CG1 ILE A 69 1.848 -2.844 -7.740 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.295 -1.632 -5.556 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.017 -4.031 -7.251 1.00 0.00 C ATOM 0 H ILE A 69 4.601 -3.583 -8.083 1.00 0.00 H new ATOM 0 HA ILE A 69 3.598 -0.959 -8.018 1.00 0.00 H new ATOM 0 HB ILE A 69 3.292 -3.367 -6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.193 -1.996 -7.943 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.338 -3.101 -8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.473 -2.190 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.059 -1.442 -4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.922 -0.683 -5.941 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.277 -4.293 -8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.671 -4.884 -7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.509 -3.763 -6.325 1.00 0.00 H new ATOM 1014 N GLN A 70 5.450 -1.648 -5.389 1.00 0.00 N ATOM 1015 CA GLN A 70 6.297 -1.046 -4.373 1.00 0.00 C ATOM 1016 C GLN A 70 7.215 0.005 -5.002 1.00 0.00 C ATOM 1017 O GLN A 70 7.324 1.121 -4.498 1.00 0.00 O ATOM 1018 CB GLN A 70 7.109 -2.110 -3.633 1.00 0.00 C ATOM 1019 CG GLN A 70 7.549 -1.607 -2.257 1.00 0.00 C ATOM 1020 CD GLN A 70 8.914 -2.181 -1.874 1.00 0.00 C ATOM 1021 OE1 GLN A 70 9.957 -1.671 -2.245 1.00 0.00 O ATOM 1022 NE2 GLN A 70 8.848 -3.269 -1.110 1.00 0.00 N ATOM 0 H GLN A 70 5.302 -2.651 -5.281 1.00 0.00 H new ATOM 0 HA GLN A 70 5.657 -0.552 -3.642 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.511 -3.014 -3.519 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.985 -2.379 -4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.597 -0.518 -2.262 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.809 -1.890 -1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.940 -3.645 -0.835 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.705 -3.727 -0.800 1.00 0.00 H new ATOM 1031 N ASN A 71 7.850 -0.390 -6.096 1.00 0.00 N ATOM 1032 CA ASN A 71 8.755 0.503 -6.799 1.00 0.00 C ATOM 1033 C ASN A 71 8.049 1.835 -7.060 1.00 0.00 C ATOM 1034 O ASN A 71 8.479 2.876 -6.564 1.00 0.00 O ATOM 1035 CB ASN A 71 9.169 -0.084 -8.150 1.00 0.00 C ATOM 1036 CG ASN A 71 10.690 -0.232 -8.241 1.00 0.00 C ATOM 1037 OD1 ASN A 71 11.411 -0.101 -7.266 1.00 0.00 O ATOM 1038 ND2 ASN A 71 11.134 -0.511 -9.463 1.00 0.00 N ATOM 0 H ASN A 71 7.756 -1.316 -6.512 1.00 0.00 H new ATOM 0 HA ASN A 71 9.641 0.642 -6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.697 -1.057 -8.288 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.814 0.560 -8.955 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.134 -0.629 -9.628 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.475 -0.607 -10.235 1.00 0.00 H new ATOM 1045 N MET A 72 6.979 1.760 -7.836 1.00 0.00 N ATOM 1046 CA MET A 72 6.209 2.947 -8.168 1.00 0.00 C ATOM 1047 C MET A 72 6.095 3.882 -6.961 1.00 0.00 C ATOM 1048 O MET A 72 6.279 5.091 -7.090 1.00 0.00 O ATOM 1049 CB MET A 72 4.809 2.536 -8.629 1.00 0.00 C ATOM 1050 CG MET A 72 3.942 3.764 -8.914 1.00 0.00 C ATOM 1051 SD MET A 72 2.423 3.269 -9.708 1.00 0.00 S ATOM 1052 CE MET A 72 1.710 2.267 -8.414 1.00 0.00 C ATOM 0 H MET A 72 6.626 0.895 -8.245 1.00 0.00 H new ATOM 0 HA MET A 72 6.723 3.478 -8.969 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.884 1.923 -9.527 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.336 1.922 -7.863 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.722 4.287 -7.984 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.484 4.462 -9.552 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.651 2.504 -8.312 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.824 1.213 -8.666 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.219 2.472 -7.472 1.00 0.00 H new ATOM 1062 N LEU A 73 5.795 3.286 -5.817 1.00 0.00 N ATOM 1063 CA LEU A 73 5.655 4.050 -4.589 1.00 0.00 C ATOM 1064 C LEU A 73 6.956 4.806 -4.313 1.00 0.00 C ATOM 1065 O LEU A 73 6.934 6.001 -4.025 1.00 0.00 O ATOM 1066 CB LEU A 73 5.216 3.140 -3.440 1.00 0.00 C ATOM 1067 CG LEU A 73 3.773 3.310 -2.964 1.00 0.00 C ATOM 1068 CD1 LEU A 73 3.456 2.348 -1.817 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.487 4.765 -2.587 1.00 0.00 C ATOM 0 H LEU A 73 5.645 2.282 -5.714 1.00 0.00 H new ATOM 0 HA LEU A 73 4.868 4.797 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.356 2.104 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.880 3.312 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 73 3.110 3.055 -3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.424 2.490 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.593 1.321 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.125 2.547 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.454 4.858 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.158 5.071 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.645 5.404 -3.456 1.00 0.00 H new ATOM 1081 N GLN A 74 8.059 4.077 -4.413 1.00 0.00 N ATOM 1082 CA GLN A 74 9.367 4.664 -4.177 1.00 0.00 C ATOM 1083 C GLN A 74 9.714 5.652 -5.293 1.00 0.00 C ATOM 1084 O GLN A 74 10.362 6.668 -5.048 1.00 0.00 O ATOM 1085 CB GLN A 74 10.439 3.580 -4.050 1.00 0.00 C ATOM 1086 CG GLN A 74 10.260 2.782 -2.757 1.00 0.00 C ATOM 1087 CD GLN A 74 10.501 1.289 -2.997 1.00 0.00 C ATOM 1088 OE1 GLN A 74 11.622 0.810 -3.012 1.00 0.00 O ATOM 1089 NE2 GLN A 74 9.388 0.585 -3.185 1.00 0.00 N ATOM 0 H GLN A 74 8.073 3.086 -4.654 1.00 0.00 H new ATOM 0 HA GLN A 74 9.335 5.209 -3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.385 2.908 -4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.428 4.038 -4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.953 3.149 -2.000 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.253 2.934 -2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.480 1.050 -3.160 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.442 -0.419 -3.354 1.00 0.00 H new ATOM 1098 N PHE A 75 9.270 5.316 -6.495 1.00 0.00 N ATOM 1099 CA PHE A 75 9.526 6.160 -7.650 1.00 0.00 C ATOM 1100 C PHE A 75 8.909 7.547 -7.463 1.00 0.00 C ATOM 1101 O PHE A 75 9.605 8.557 -7.560 1.00 0.00 O ATOM 1102 CB PHE A 75 8.869 5.482 -8.854 1.00 0.00 C ATOM 1103 CG PHE A 75 8.624 6.418 -10.039 1.00 0.00 C ATOM 1104 CD1 PHE A 75 7.491 7.171 -10.088 1.00 0.00 C ATOM 1105 CD2 PHE A 75 9.538 6.498 -11.043 1.00 0.00 C ATOM 1106 CE1 PHE A 75 7.264 8.040 -11.187 1.00 0.00 C ATOM 1107 CE2 PHE A 75 9.310 7.368 -12.142 1.00 0.00 C ATOM 1108 CZ PHE A 75 8.178 8.120 -12.192 1.00 0.00 C ATOM 0 H PHE A 75 8.735 4.471 -6.694 1.00 0.00 H new ATOM 0 HA PHE A 75 10.600 6.285 -7.789 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.500 4.656 -9.181 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.917 5.052 -8.541 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.765 7.107 -9.291 1.00 0.00 H new ATOM 0 HD2 PHE A 75 10.437 5.900 -11.004 1.00 0.00 H new ATOM 0 HE1 PHE A 75 6.366 8.638 -11.226 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.036 7.432 -12.939 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.005 8.780 -13.029 1.00 0.00 H new ATOM 1118 N TYR A 76 7.611 7.552 -7.198 1.00 0.00 N ATOM 1119 CA TYR A 76 6.894 8.800 -6.996 1.00 0.00 C ATOM 1120 C TYR A 76 7.243 9.421 -5.642 1.00 0.00 C ATOM 1121 O TYR A 76 7.678 10.570 -5.576 1.00 0.00 O ATOM 1122 CB TYR A 76 5.407 8.437 -7.009 1.00 0.00 C ATOM 1123 CG TYR A 76 4.801 8.343 -8.411 1.00 0.00 C ATOM 1124 CD1 TYR A 76 4.776 9.456 -9.228 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.282 7.146 -8.859 1.00 0.00 C ATOM 1126 CE1 TYR A 76 4.206 9.367 -10.548 1.00 0.00 C ATOM 1127 CE2 TYR A 76 3.713 7.057 -10.179 1.00 0.00 C ATOM 1128 CZ TYR A 76 3.703 8.172 -10.958 1.00 0.00 C ATOM 1129 OH TYR A 76 3.164 8.088 -12.204 1.00 0.00 O ATOM 0 H TYR A 76 7.037 6.712 -7.118 1.00 0.00 H new ATOM 0 HA TYR A 76 7.156 9.523 -7.769 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.272 7.482 -6.501 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.856 9.183 -6.436 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.184 10.393 -8.878 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.302 6.276 -8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.179 10.230 -11.197 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.303 6.126 -10.542 1.00 0.00 H new ATOM 0 HH TYR A 76 2.845 7.175 -12.362 1.00 0.00 H new ATOM 1139 N ILE A 77 7.041 8.633 -4.596 1.00 0.00 N ATOM 1140 CA ILE A 77 7.329 9.091 -3.248 1.00 0.00 C ATOM 1141 C ILE A 77 8.628 8.445 -2.761 1.00 0.00 C ATOM 1142 O ILE A 77 8.724 7.222 -2.676 1.00 0.00 O ATOM 1143 CB ILE A 77 6.133 8.836 -2.328 1.00 0.00 C ATOM 1144 CG1 ILE A 77 4.852 9.434 -2.914 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.410 9.349 -0.913 1.00 0.00 C ATOM 1146 CD1 ILE A 77 4.831 10.955 -2.746 1.00 0.00 C ATOM 0 H ILE A 77 6.681 7.680 -4.655 1.00 0.00 H new ATOM 0 HA ILE A 77 7.485 10.170 -3.238 1.00 0.00 H new ATOM 0 HB ILE A 77 5.982 7.759 -2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.778 9.180 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.984 8.998 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.544 9.155 -0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.281 8.836 -0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.603 10.421 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.910 11.355 -3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.880 11.205 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.687 11.390 -3.261 1.00 0.00 H new ATOM 1158 N PRO A 78 9.621 9.320 -2.447 1.00 0.00 N ATOM 1159 CA PRO A 78 10.911 8.847 -1.971 1.00 0.00 C ATOM 1160 C PRO A 78 10.819 8.374 -0.518 1.00 0.00 C ATOM 1161 O PRO A 78 11.742 7.741 -0.009 1.00 0.00 O ATOM 1162 CB PRO A 78 11.852 10.026 -2.153 1.00 0.00 C ATOM 1163 CG PRO A 78 10.965 11.253 -2.287 1.00 0.00 C ATOM 1164 CD PRO A 78 9.544 10.774 -2.535 1.00 0.00 C ATOM 0 HA PRO A 78 11.271 7.978 -2.522 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.526 10.123 -1.302 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.474 9.896 -3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.011 11.859 -1.382 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.305 11.882 -3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.855 11.179 -1.794 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.184 11.093 -3.513 1.00 0.00 H new ATOM 1172 N GLU A 79 9.697 8.699 0.107 1.00 0.00 N ATOM 1173 CA GLU A 79 9.473 8.316 1.490 1.00 0.00 C ATOM 1174 C GLU A 79 9.249 6.806 1.592 1.00 0.00 C ATOM 1175 O GLU A 79 10.071 6.088 2.161 1.00 0.00 O ATOM 1176 CB GLU A 79 8.296 9.087 2.090 1.00 0.00 C ATOM 1177 CG GLU A 79 8.471 10.593 1.892 1.00 0.00 C ATOM 1178 CD GLU A 79 8.198 11.352 3.193 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.529 10.789 4.259 1.00 0.00 O ATOM 1180 OE2 GLU A 79 7.664 12.478 3.092 1.00 0.00 O ATOM 0 H GLU A 79 8.933 9.224 -0.319 1.00 0.00 H new ATOM 0 HA GLU A 79 10.362 8.572 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.367 8.761 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.214 8.863 3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.484 10.803 1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.793 10.942 1.114 1.00 0.00 H new ATOM 1187 N VAL A 80 8.131 6.367 1.032 1.00 0.00 N ATOM 1188 CA VAL A 80 7.788 4.955 1.053 1.00 0.00 C ATOM 1189 C VAL A 80 8.960 4.141 0.502 1.00 0.00 C ATOM 1190 O VAL A 80 9.481 4.445 -0.570 1.00 0.00 O ATOM 1191 CB VAL A 80 6.484 4.722 0.286 1.00 0.00 C ATOM 1192 CG1 VAL A 80 6.403 5.629 -0.944 1.00 0.00 C ATOM 1193 CG2 VAL A 80 6.335 3.250 -0.107 1.00 0.00 C ATOM 0 H VAL A 80 7.451 6.964 0.561 1.00 0.00 H new ATOM 0 HA VAL A 80 7.613 4.620 2.075 1.00 0.00 H new ATOM 0 HB VAL A 80 5.656 4.978 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.467 5.444 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.442 6.672 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.242 5.418 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.400 3.111 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.171 2.956 -0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.327 2.633 0.791 1.00 0.00 H new ATOM 1203 N GLU A 81 9.340 3.122 1.259 1.00 0.00 N ATOM 1204 CA GLU A 81 10.441 2.263 0.860 1.00 0.00 C ATOM 1205 C GLU A 81 9.938 0.840 0.606 1.00 0.00 C ATOM 1206 O GLU A 81 10.365 0.188 -0.346 1.00 0.00 O ATOM 1207 CB GLU A 81 11.552 2.271 1.911 1.00 0.00 C ATOM 1208 CG GLU A 81 12.423 3.523 1.776 1.00 0.00 C ATOM 1209 CD GLU A 81 13.908 3.157 1.744 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.412 2.734 2.807 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.507 3.308 0.657 1.00 0.00 O ATOM 0 H GLU A 81 8.904 2.872 2.147 1.00 0.00 H new ATOM 0 HA GLU A 81 10.861 2.651 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.115 2.233 2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.170 1.380 1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.157 4.059 0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.229 4.197 2.610 1.00 0.00 H new ATOM 1218 N GLY A 82 9.038 0.400 1.473 1.00 0.00 N ATOM 1219 CA GLY A 82 8.474 -0.933 1.355 1.00 0.00 C ATOM 1220 C GLY A 82 6.994 -0.938 1.746 1.00 0.00 C ATOM 1221 O GLY A 82 6.459 0.081 2.181 1.00 0.00 O ATOM 0 H GLY A 82 8.685 0.944 2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.585 -1.289 0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.025 -1.623 1.994 1.00 0.00 H new ATOM 1225 N VAL A 83 6.374 -2.096 1.577 1.00 0.00 N ATOM 1226 CA VAL A 83 4.967 -2.248 1.906 1.00 0.00 C ATOM 1227 C VAL A 83 4.805 -3.376 2.926 1.00 0.00 C ATOM 1228 O VAL A 83 5.707 -4.194 3.100 1.00 0.00 O ATOM 1229 CB VAL A 83 4.152 -2.473 0.631 1.00 0.00 C ATOM 1230 CG1 VAL A 83 4.325 -1.306 -0.343 1.00 0.00 C ATOM 1231 CG2 VAL A 83 4.527 -3.800 -0.032 1.00 0.00 C ATOM 0 H VAL A 83 6.821 -2.939 1.216 1.00 0.00 H new ATOM 0 HA VAL A 83 4.582 -1.337 2.365 1.00 0.00 H new ATOM 0 HB VAL A 83 3.100 -2.523 0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.735 -1.491 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.986 -0.384 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.377 -1.210 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.933 -3.936 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.586 -3.791 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.329 -4.620 0.658 1.00 0.00 H new ATOM 1241 N GLU A 84 3.650 -3.383 3.574 1.00 0.00 N ATOM 1242 CA GLU A 84 3.358 -4.399 4.572 1.00 0.00 C ATOM 1243 C GLU A 84 1.858 -4.700 4.600 1.00 0.00 C ATOM 1244 O GLU A 84 1.040 -3.787 4.708 1.00 0.00 O ATOM 1245 CB GLU A 84 3.856 -3.968 5.953 1.00 0.00 C ATOM 1246 CG GLU A 84 5.346 -4.279 6.119 1.00 0.00 C ATOM 1247 CD GLU A 84 5.692 -4.532 7.588 1.00 0.00 C ATOM 1248 OE1 GLU A 84 4.968 -3.982 8.445 1.00 0.00 O ATOM 1249 OE2 GLU A 84 6.674 -5.271 7.820 1.00 0.00 O ATOM 0 H GLU A 84 2.905 -2.702 3.428 1.00 0.00 H new ATOM 0 HA GLU A 84 3.887 -5.312 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.686 -2.900 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.285 -4.482 6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.607 -5.154 5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.939 -3.447 5.740 1.00 0.00 H new ATOM 1256 N GLN A 85 1.541 -5.983 4.502 1.00 0.00 N ATOM 1257 CA GLN A 85 0.155 -6.415 4.515 1.00 0.00 C ATOM 1258 C GLN A 85 -0.388 -6.413 5.946 1.00 0.00 C ATOM 1259 O GLN A 85 -0.423 -7.454 6.601 1.00 0.00 O ATOM 1260 CB GLN A 85 0.005 -7.796 3.873 1.00 0.00 C ATOM 1261 CG GLN A 85 -1.423 -8.013 3.367 1.00 0.00 C ATOM 1262 CD GLN A 85 -2.102 -9.159 4.120 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -2.032 -9.267 5.332 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -2.762 -10.006 3.334 1.00 0.00 N ATOM 0 H GLN A 85 2.222 -6.737 4.413 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.431 -5.711 3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.707 -7.894 3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.259 -8.568 4.599 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.001 -7.097 3.493 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.405 -8.234 2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.780 -9.857 2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.249 -10.805 3.740 1.00 0.00 H new ATOM 1273 N VAL A 86 -0.798 -5.234 6.388 1.00 0.00 N ATOM 1274 CA VAL A 86 -1.338 -5.084 7.729 1.00 0.00 C ATOM 1275 C VAL A 86 -2.649 -5.864 7.837 1.00 0.00 C ATOM 1276 O VAL A 86 -3.377 -6.000 6.853 1.00 0.00 O ATOM 1277 CB VAL A 86 -1.495 -3.599 8.065 1.00 0.00 C ATOM 1278 CG1 VAL A 86 -0.131 -2.929 8.242 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -2.326 -2.880 7.001 1.00 0.00 C ATOM 0 H VAL A 86 -0.767 -4.373 5.842 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.652 -5.500 8.467 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.029 -3.525 9.012 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.272 -1.875 8.480 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.411 -3.415 9.053 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.441 -3.019 7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.422 -1.827 7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.833 -2.968 6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.316 -3.332 6.946 1.00 0.00 H new ATOM 1289 N SER A 87 -2.912 -6.354 9.039 1.00 0.00 N ATOM 1290 CA SER A 87 -4.123 -7.117 9.287 1.00 0.00 C ATOM 1291 C SER A 87 -4.247 -7.431 10.780 1.00 0.00 C ATOM 1292 O SER A 87 -3.252 -7.728 11.439 1.00 0.00 O ATOM 1293 CB SER A 87 -4.138 -8.409 8.469 1.00 0.00 C ATOM 1294 OG SER A 87 -5.201 -9.275 8.858 1.00 0.00 O ATOM 0 H SER A 87 -2.307 -6.238 9.852 1.00 0.00 H new ATOM 0 HA SER A 87 -4.977 -6.514 8.977 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.236 -8.167 7.411 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.186 -8.926 8.591 1.00 0.00 H new ATOM 0 HG SER A 87 -5.177 -10.088 8.311 1.00 0.00 H new ATOM 1300 N GLY A 88 -5.476 -7.355 11.268 1.00 0.00 N ATOM 1301 CA GLY A 88 -5.742 -7.628 12.671 1.00 0.00 C ATOM 1302 C GLY A 88 -5.106 -6.564 13.566 1.00 0.00 C ATOM 1303 O GLY A 88 -3.915 -6.633 13.870 1.00 0.00 O ATOM 0 H GLY A 88 -6.299 -7.108 10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.818 -7.656 12.842 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.351 -8.611 12.934 1.00 0.00 H new ATOM 1307 N PRO A 89 -5.949 -5.579 13.976 1.00 0.00 N ATOM 1308 CA PRO A 89 -5.482 -4.500 14.831 1.00 0.00 C ATOM 1309 C PRO A 89 -5.293 -4.985 16.270 1.00 0.00 C ATOM 1310 O PRO A 89 -6.264 -5.315 16.949 1.00 0.00 O ATOM 1311 CB PRO A 89 -6.534 -3.412 14.703 1.00 0.00 C ATOM 1312 CG PRO A 89 -7.776 -4.096 14.153 1.00 0.00 C ATOM 1313 CD PRO A 89 -7.364 -5.464 13.636 1.00 0.00 C ATOM 0 HA PRO A 89 -4.503 -4.123 14.536 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.738 -2.950 15.669 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.197 -2.619 14.035 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.534 -4.194 14.930 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.216 -3.502 13.352 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -7.949 -6.256 14.103 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.520 -5.544 12.560 1.00 0.00 H new ATOM 1321 N SER A 90 -4.038 -5.013 16.693 1.00 0.00 N ATOM 1322 CA SER A 90 -3.710 -5.451 18.039 1.00 0.00 C ATOM 1323 C SER A 90 -3.425 -4.239 18.929 1.00 0.00 C ATOM 1324 O SER A 90 -2.438 -3.534 18.724 1.00 0.00 O ATOM 1325 CB SER A 90 -2.510 -6.400 18.032 1.00 0.00 C ATOM 1326 OG SER A 90 -1.907 -6.506 19.319 1.00 0.00 O ATOM 0 H SER A 90 -3.235 -4.739 16.127 1.00 0.00 H new ATOM 0 HA SER A 90 -4.565 -5.994 18.440 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.830 -7.387 17.699 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.771 -6.045 17.313 1.00 0.00 H new ATOM 0 HG SER A 90 -1.146 -7.122 19.274 1.00 0.00 H new ATOM 1332 N SER A 91 -4.306 -4.036 19.896 1.00 0.00 N ATOM 1333 CA SER A 91 -4.160 -2.922 20.819 1.00 0.00 C ATOM 1334 C SER A 91 -3.630 -3.421 22.164 1.00 0.00 C ATOM 1335 O SER A 91 -4.396 -3.902 22.998 1.00 0.00 O ATOM 1336 CB SER A 91 -5.490 -2.190 21.011 1.00 0.00 C ATOM 1337 OG SER A 91 -5.485 -0.903 20.401 1.00 0.00 O ATOM 0 H SER A 91 -5.124 -4.623 20.061 1.00 0.00 H new ATOM 0 HA SER A 91 -3.445 -2.217 20.394 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.297 -2.788 20.588 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.695 -2.085 22.076 1.00 0.00 H new ATOM 0 HG SER A 91 -6.352 -0.469 20.545 1.00 0.00 H new ATOM 1343 N GLY A 92 -2.322 -3.291 22.333 1.00 0.00 N ATOM 1344 CA GLY A 92 -1.679 -3.724 23.562 1.00 0.00 C ATOM 1345 C GLY A 92 -1.696 -2.610 24.610 1.00 0.00 C ATOM 1346 O GLY A 92 -1.790 -2.879 25.807 1.00 0.00 O ATOM 0 H GLY A 92 -1.690 -2.892 21.639 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.189 -4.604 23.953 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.650 -4.018 23.355 1.00 0.00 H new TER 1350 GLY A 92