USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 700 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 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 163:sc= 0 (180deg=0) 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 45:sc= 0.482 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 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.125 USER MOD Single : A 13 THR OG1 : rot -160:sc= -0.445 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -71:sc= 1.08 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.82) USER MOD Single : A 33 GLN : amide:sc= -0.0489 X(o=-0.049,f=0) USER MOD Single : A 37 CYS SG : rot 81:sc= 0.193 USER MOD Single : A 38 TYR OH : rot -170:sc= 0.0318 USER MOD Single : A 39 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.38) USER MOD Single : A 44 MET CE :methyl 176:sc= -3.14! (180deg=-3.15!) USER MOD Single : A 47 GLN : amide:sc=-0.00986 X(o=-0.0099,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 76:sc= 0.0944 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc=-0.00065 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 MET CE :methyl -162:sc= 0 (180deg=-0.0497) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.54! C(o=-1.5!,f=-1.6!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.879 4.941 16.124 1.00 0.00 N ATOM 2 CA GLY A 1 -27.054 5.566 16.708 1.00 0.00 C ATOM 3 C GLY A 1 -27.669 6.583 15.744 1.00 0.00 C ATOM 4 O GLY A 1 -28.774 6.378 15.244 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.480 4.255 16.797 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.147 4.450 15.247 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.168 5.670 15.910 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.791 4.802 16.956 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.782 6.061 17.640 1.00 0.00 H new ATOM 8 N SER A 2 -26.927 7.656 15.513 1.00 0.00 N ATOM 9 CA SER A 2 -27.387 8.704 14.618 1.00 0.00 C ATOM 10 C SER A 2 -26.925 8.412 13.189 1.00 0.00 C ATOM 11 O SER A 2 -26.004 7.624 12.979 1.00 0.00 O ATOM 12 CB SER A 2 -26.879 10.075 15.069 1.00 0.00 C ATOM 13 OG SER A 2 -27.918 11.051 15.083 1.00 0.00 O ATOM 0 H SER A 2 -26.011 7.822 15.930 1.00 0.00 H new ATOM 0 HA SER A 2 -28.477 8.722 14.645 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.447 9.991 16.066 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.082 10.404 14.402 1.00 0.00 H new ATOM 0 HG SER A 2 -27.554 11.912 15.378 1.00 0.00 H new ATOM 19 N SER A 3 -27.585 9.063 12.243 1.00 0.00 N ATOM 20 CA SER A 3 -27.254 8.883 10.839 1.00 0.00 C ATOM 21 C SER A 3 -27.923 9.973 10.000 1.00 0.00 C ATOM 22 O SER A 3 -29.089 9.847 9.627 1.00 0.00 O ATOM 23 CB SER A 3 -27.679 7.498 10.347 1.00 0.00 C ATOM 24 OG SER A 3 -26.598 6.569 10.368 1.00 0.00 O ATOM 0 H SER A 3 -28.348 9.716 12.421 1.00 0.00 H new ATOM 0 HA SER A 3 -26.172 8.962 10.729 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.490 7.124 10.972 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.069 7.578 9.332 1.00 0.00 H new ATOM 0 HG SER A 3 -26.109 6.655 11.213 1.00 0.00 H new ATOM 30 N GLY A 4 -27.157 11.019 9.726 1.00 0.00 N ATOM 31 CA GLY A 4 -27.661 12.130 8.937 1.00 0.00 C ATOM 32 C GLY A 4 -26.775 12.380 7.715 1.00 0.00 C ATOM 33 O GLY A 4 -25.958 11.536 7.352 1.00 0.00 O ATOM 0 H GLY A 4 -26.191 11.120 10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.681 11.919 8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.701 13.029 9.552 1.00 0.00 H new ATOM 37 N SER A 5 -26.968 13.545 7.113 1.00 0.00 N ATOM 38 CA SER A 5 -26.197 13.917 5.939 1.00 0.00 C ATOM 39 C SER A 5 -25.190 15.011 6.299 1.00 0.00 C ATOM 40 O SER A 5 -25.291 15.628 7.358 1.00 0.00 O ATOM 41 CB SER A 5 -27.112 14.390 4.807 1.00 0.00 C ATOM 42 OG SER A 5 -28.030 15.389 5.244 1.00 0.00 O ATOM 0 H SER A 5 -27.647 14.243 7.416 1.00 0.00 H new ATOM 0 HA SER A 5 -25.658 13.036 5.591 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.506 14.786 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.665 13.539 4.408 1.00 0.00 H new ATOM 0 HG SER A 5 -28.595 15.666 4.492 1.00 0.00 H new ATOM 48 N SER A 6 -24.241 15.217 5.398 1.00 0.00 N ATOM 49 CA SER A 6 -23.216 16.225 5.608 1.00 0.00 C ATOM 50 C SER A 6 -23.249 17.249 4.471 1.00 0.00 C ATOM 51 O SER A 6 -23.450 18.439 4.709 1.00 0.00 O ATOM 52 CB SER A 6 -21.829 15.588 5.708 1.00 0.00 C ATOM 53 OG SER A 6 -20.810 16.558 5.937 1.00 0.00 O ATOM 0 H SER A 6 -24.160 14.703 4.521 1.00 0.00 H new ATOM 0 HA SER A 6 -23.422 16.731 6.551 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.823 14.858 6.518 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.612 15.045 4.788 1.00 0.00 H new ATOM 0 HG SER A 6 -19.940 16.111 5.996 1.00 0.00 H new ATOM 59 N GLY A 7 -23.048 16.749 3.261 1.00 0.00 N ATOM 60 CA GLY A 7 -23.052 17.606 2.087 1.00 0.00 C ATOM 61 C GLY A 7 -21.805 18.491 2.050 1.00 0.00 C ATOM 62 O GLY A 7 -20.702 18.029 2.338 1.00 0.00 O ATOM 0 H GLY A 7 -22.881 15.761 3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.095 16.994 1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.945 18.230 2.091 1.00 0.00 H new ATOM 66 N GLN A 8 -22.021 19.749 1.693 1.00 0.00 N ATOM 67 CA GLN A 8 -20.928 20.703 1.615 1.00 0.00 C ATOM 68 C GLN A 8 -19.682 20.035 1.031 1.00 0.00 C ATOM 69 O GLN A 8 -18.570 20.267 1.503 1.00 0.00 O ATOM 70 CB GLN A 8 -20.632 21.312 2.987 1.00 0.00 C ATOM 71 CG GLN A 8 -20.396 20.219 4.032 1.00 0.00 C ATOM 72 CD GLN A 8 -19.919 20.821 5.355 1.00 0.00 C ATOM 73 OE1 GLN A 8 -20.692 21.326 6.152 1.00 0.00 O ATOM 74 NE2 GLN A 8 -18.605 20.738 5.544 1.00 0.00 N ATOM 0 H GLN A 8 -22.937 20.129 1.455 1.00 0.00 H new ATOM 0 HA GLN A 8 -21.226 21.515 0.951 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -19.754 21.954 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -21.465 21.942 3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -21.318 19.660 4.194 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -19.655 19.511 3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.014 20.302 4.836 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.188 21.110 6.397 1.00 0.00 H new ATOM 83 N ASP A 9 -19.909 19.220 0.011 1.00 0.00 N ATOM 84 CA ASP A 9 -18.818 18.517 -0.643 1.00 0.00 C ATOM 85 C ASP A 9 -17.653 19.485 -0.862 1.00 0.00 C ATOM 86 O ASP A 9 -17.861 20.687 -1.018 1.00 0.00 O ATOM 87 CB ASP A 9 -19.249 17.979 -2.008 1.00 0.00 C ATOM 88 CG ASP A 9 -19.576 16.485 -2.040 1.00 0.00 C ATOM 89 OD1 ASP A 9 -19.451 15.853 -0.968 1.00 0.00 O ATOM 90 OD2 ASP A 9 -19.943 16.008 -3.135 1.00 0.00 O ATOM 0 H ASP A 9 -20.832 19.031 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.522 17.684 -0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -20.126 18.535 -2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -18.454 18.177 -2.727 1.00 0.00 H new ATOM 95 N SER A 10 -16.452 18.924 -0.867 1.00 0.00 N ATOM 96 CA SER A 10 -15.254 19.722 -1.065 1.00 0.00 C ATOM 97 C SER A 10 -14.224 18.927 -1.870 1.00 0.00 C ATOM 98 O SER A 10 -14.469 17.780 -2.238 1.00 0.00 O ATOM 99 CB SER A 10 -14.658 20.162 0.273 1.00 0.00 C ATOM 100 OG SER A 10 -14.650 21.580 0.414 1.00 0.00 O ATOM 0 H SER A 10 -16.283 17.926 -0.737 1.00 0.00 H new ATOM 0 HA SER A 10 -15.528 20.618 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.231 19.720 1.088 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.639 19.784 0.358 1.00 0.00 H new ATOM 0 HG SER A 10 -14.264 21.820 1.282 1.00 0.00 H new ATOM 106 N ASP A 11 -13.092 19.570 -2.120 1.00 0.00 N ATOM 107 CA ASP A 11 -12.023 18.938 -2.874 1.00 0.00 C ATOM 108 C ASP A 11 -11.281 17.951 -1.970 1.00 0.00 C ATOM 109 O ASP A 11 -11.255 16.752 -2.244 1.00 0.00 O ATOM 110 CB ASP A 11 -11.014 19.974 -3.373 1.00 0.00 C ATOM 111 CG ASP A 11 -11.032 20.220 -4.882 1.00 0.00 C ATOM 112 OD1 ASP A 11 -12.140 20.473 -5.403 1.00 0.00 O ATOM 113 OD2 ASP A 11 -9.938 20.152 -5.482 1.00 0.00 O ATOM 0 H ASP A 11 -12.892 20.522 -1.814 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.469 18.428 -3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.204 20.919 -2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.013 19.652 -3.085 1.00 0.00 H new ATOM 118 N SER A 12 -10.697 18.492 -0.912 1.00 0.00 N ATOM 119 CA SER A 12 -9.956 17.675 0.034 1.00 0.00 C ATOM 120 C SER A 12 -10.904 16.701 0.737 1.00 0.00 C ATOM 121 O SER A 12 -10.462 15.710 1.319 1.00 0.00 O ATOM 122 CB SER A 12 -9.229 18.543 1.062 1.00 0.00 C ATOM 123 OG SER A 12 -9.275 19.926 0.720 1.00 0.00 O ATOM 0 H SER A 12 -10.722 19.487 -0.688 1.00 0.00 H new ATOM 0 HA SER A 12 -9.205 17.109 -0.518 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.680 18.397 2.044 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.190 18.222 1.137 1.00 0.00 H new ATOM 0 HG SER A 12 -8.801 20.447 1.401 1.00 0.00 H new ATOM 129 N THR A 13 -12.188 17.016 0.662 1.00 0.00 N ATOM 130 CA THR A 13 -13.202 16.181 1.284 1.00 0.00 C ATOM 131 C THR A 13 -13.152 14.764 0.709 1.00 0.00 C ATOM 132 O THR A 13 -12.921 13.802 1.440 1.00 0.00 O ATOM 133 CB THR A 13 -14.558 16.865 1.097 1.00 0.00 C ATOM 134 OG1 THR A 13 -14.661 17.742 2.215 1.00 0.00 O ATOM 135 CG2 THR A 13 -15.730 15.898 1.273 1.00 0.00 C ATOM 0 H THR A 13 -12.550 17.839 0.180 1.00 0.00 H new ATOM 0 HA THR A 13 -13.022 16.071 2.353 1.00 0.00 H new ATOM 0 HB THR A 13 -14.604 17.315 0.105 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.601 17.981 2.358 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.668 16.434 1.130 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.654 15.097 0.538 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.704 15.473 2.277 1.00 0.00 H new ATOM 143 N ALA A 14 -13.371 14.680 -0.595 1.00 0.00 N ATOM 144 CA ALA A 14 -13.354 13.397 -1.276 1.00 0.00 C ATOM 145 C ALA A 14 -12.190 12.558 -0.744 1.00 0.00 C ATOM 146 O ALA A 14 -12.322 11.347 -0.568 1.00 0.00 O ATOM 147 CB ALA A 14 -13.267 13.621 -2.787 1.00 0.00 C ATOM 0 H ALA A 14 -13.561 15.480 -1.198 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.275 12.847 -1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.254 12.658 -3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.131 14.197 -3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.354 14.168 -3.022 1.00 0.00 H new ATOM 153 N ALA A 15 -11.076 13.234 -0.502 1.00 0.00 N ATOM 154 CA ALA A 15 -9.890 12.566 0.006 1.00 0.00 C ATOM 155 C ALA A 15 -10.172 12.037 1.413 1.00 0.00 C ATOM 156 O ALA A 15 -9.938 10.863 1.698 1.00 0.00 O ATOM 157 CB ALA A 15 -8.706 13.533 -0.027 1.00 0.00 C ATOM 0 H ALA A 15 -10.970 14.238 -0.648 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.631 11.713 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.816 13.032 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.529 13.857 -1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.928 14.401 0.594 1.00 0.00 H new ATOM 163 N VAL A 16 -10.671 12.928 2.257 1.00 0.00 N ATOM 164 CA VAL A 16 -10.988 12.565 3.628 1.00 0.00 C ATOM 165 C VAL A 16 -11.847 11.300 3.631 1.00 0.00 C ATOM 166 O VAL A 16 -11.663 10.421 4.472 1.00 0.00 O ATOM 167 CB VAL A 16 -11.656 13.743 4.340 1.00 0.00 C ATOM 168 CG1 VAL A 16 -11.869 13.437 5.824 1.00 0.00 C ATOM 169 CG2 VAL A 16 -10.844 15.027 4.156 1.00 0.00 C ATOM 0 H VAL A 16 -10.864 13.901 2.018 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.077 12.340 4.184 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.635 13.898 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.345 14.290 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.507 12.559 5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.906 13.243 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.341 15.849 4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.846 14.889 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.766 15.259 3.094 1.00 0.00 H new ATOM 179 N ALA A 17 -12.769 11.247 2.681 1.00 0.00 N ATOM 180 CA ALA A 17 -13.658 10.103 2.563 1.00 0.00 C ATOM 181 C ALA A 17 -12.875 8.908 2.016 1.00 0.00 C ATOM 182 O ALA A 17 -12.785 7.869 2.667 1.00 0.00 O ATOM 183 CB ALA A 17 -14.851 10.473 1.680 1.00 0.00 C ATOM 0 H ALA A 17 -12.920 11.978 1.986 1.00 0.00 H new ATOM 0 HA ALA A 17 -14.051 9.820 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.518 9.615 1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.391 11.307 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.496 10.760 0.690 1.00 0.00 H new ATOM 189 N VAL A 18 -12.327 9.096 0.824 1.00 0.00 N ATOM 190 CA VAL A 18 -11.555 8.047 0.181 1.00 0.00 C ATOM 191 C VAL A 18 -10.524 7.500 1.170 1.00 0.00 C ATOM 192 O VAL A 18 -10.178 6.320 1.124 1.00 0.00 O ATOM 193 CB VAL A 18 -10.924 8.576 -1.109 1.00 0.00 C ATOM 194 CG1 VAL A 18 -9.485 9.035 -0.866 1.00 0.00 C ATOM 195 CG2 VAL A 18 -10.985 7.526 -2.220 1.00 0.00 C ATOM 0 H VAL A 18 -12.403 9.960 0.287 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.202 7.218 -0.106 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.501 9.441 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.059 9.406 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.478 9.831 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.891 8.195 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.530 7.928 -3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.444 6.633 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.025 7.268 -2.420 1.00 0.00 H new ATOM 205 N LEU A 19 -10.061 8.383 2.043 1.00 0.00 N ATOM 206 CA LEU A 19 -9.076 8.004 3.041 1.00 0.00 C ATOM 207 C LEU A 19 -9.766 7.220 4.160 1.00 0.00 C ATOM 208 O LEU A 19 -9.221 6.239 4.663 1.00 0.00 O ATOM 209 CB LEU A 19 -8.312 9.234 3.534 1.00 0.00 C ATOM 210 CG LEU A 19 -7.324 9.852 2.543 1.00 0.00 C ATOM 211 CD1 LEU A 19 -6.692 11.121 3.117 1.00 0.00 C ATOM 212 CD2 LEU A 19 -6.269 8.831 2.111 1.00 0.00 C ATOM 0 H LEU A 19 -10.350 9.360 2.079 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.326 7.345 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.036 9.997 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.767 8.960 4.437 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.875 10.143 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.994 11.540 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.472 11.851 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.159 10.878 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.579 9.296 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.717 8.486 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.758 7.982 1.633 1.00 0.00 H new ATOM 224 N LYS A 20 -10.956 7.682 4.516 1.00 0.00 N ATOM 225 CA LYS A 20 -11.726 7.037 5.565 1.00 0.00 C ATOM 226 C LYS A 20 -12.089 5.617 5.125 1.00 0.00 C ATOM 227 O LYS A 20 -11.945 4.669 5.895 1.00 0.00 O ATOM 228 CB LYS A 20 -12.937 7.891 5.944 1.00 0.00 C ATOM 229 CG LYS A 20 -13.153 7.894 7.459 1.00 0.00 C ATOM 230 CD LYS A 20 -12.884 9.280 8.049 1.00 0.00 C ATOM 231 CE LYS A 20 -12.194 9.172 9.410 1.00 0.00 C ATOM 232 NZ LYS A 20 -10.723 9.170 9.246 1.00 0.00 N ATOM 0 H LYS A 20 -11.405 8.496 4.096 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.131 6.948 6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.791 8.912 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.828 7.507 5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.175 7.591 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.493 7.162 7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.260 9.855 7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.823 9.822 8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.494 10.006 10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.511 8.259 9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.270 9.096 10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.440 8.360 8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.424 10.053 8.785 1.00 0.00 H new ATOM 246 N ARG A 21 -12.554 5.515 3.889 1.00 0.00 N ATOM 247 CA ARG A 21 -12.938 4.227 3.337 1.00 0.00 C ATOM 248 C ARG A 21 -11.730 3.291 3.283 1.00 0.00 C ATOM 249 O ARG A 21 -11.793 2.161 3.765 1.00 0.00 O ATOM 250 CB ARG A 21 -13.519 4.382 1.930 1.00 0.00 C ATOM 251 CG ARG A 21 -15.024 4.655 1.985 1.00 0.00 C ATOM 252 CD ARG A 21 -15.790 3.410 2.438 1.00 0.00 C ATOM 253 NE ARG A 21 -17.087 3.803 3.033 1.00 0.00 N ATOM 254 CZ ARG A 21 -18.042 2.935 3.394 1.00 0.00 C ATOM 255 NH1 ARG A 21 -17.851 1.620 3.222 1.00 0.00 N ATOM 256 NH2 ARG A 21 -19.187 3.383 3.926 1.00 0.00 N ATOM 0 H ARG A 21 -12.674 6.304 3.254 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.702 3.802 3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.016 5.199 1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.331 3.476 1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.223 5.479 2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.377 4.966 1.002 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.956 2.746 1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.200 2.855 3.167 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.265 4.797 3.177 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.979 1.280 2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.578 0.959 3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.332 4.384 4.056 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.914 2.723 4.201 1.00 0.00 H new ATOM 270 N ALA A 22 -10.657 3.795 2.691 1.00 0.00 N ATOM 271 CA ALA A 22 -9.436 3.017 2.567 1.00 0.00 C ATOM 272 C ALA A 22 -9.152 2.307 3.892 1.00 0.00 C ATOM 273 O ALA A 22 -9.022 1.084 3.929 1.00 0.00 O ATOM 274 CB ALA A 22 -8.288 3.934 2.140 1.00 0.00 C ATOM 0 H ALA A 22 -10.608 4.732 2.292 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.545 2.251 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.372 3.351 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.526 4.392 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.147 4.714 2.889 1.00 0.00 H new ATOM 280 N VAL A 23 -9.066 3.103 4.947 1.00 0.00 N ATOM 281 CA VAL A 23 -8.800 2.565 6.271 1.00 0.00 C ATOM 282 C VAL A 23 -9.697 1.349 6.511 1.00 0.00 C ATOM 283 O VAL A 23 -9.220 0.294 6.928 1.00 0.00 O ATOM 284 CB VAL A 23 -8.980 3.659 7.326 1.00 0.00 C ATOM 285 CG1 VAL A 23 -8.949 3.069 8.737 1.00 0.00 C ATOM 286 CG2 VAL A 23 -7.923 4.754 7.166 1.00 0.00 C ATOM 0 H VAL A 23 -9.176 4.116 4.913 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.767 2.227 6.346 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.959 4.114 7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.079 3.867 9.468 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.755 2.343 8.845 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.991 2.576 8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.073 5.519 7.928 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.930 4.320 7.279 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.012 5.204 6.177 1.00 0.00 H new ATOM 296 N GLU A 24 -10.980 1.537 6.239 1.00 0.00 N ATOM 297 CA GLU A 24 -11.947 0.468 6.421 1.00 0.00 C ATOM 298 C GLU A 24 -11.507 -0.782 5.657 1.00 0.00 C ATOM 299 O GLU A 24 -11.383 -1.859 6.240 1.00 0.00 O ATOM 300 CB GLU A 24 -13.345 0.913 5.985 1.00 0.00 C ATOM 301 CG GLU A 24 -13.777 2.175 6.735 1.00 0.00 C ATOM 302 CD GLU A 24 -15.301 2.252 6.845 1.00 0.00 C ATOM 303 OE1 GLU A 24 -15.851 1.489 7.668 1.00 0.00 O ATOM 304 OE2 GLU A 24 -15.882 3.073 6.102 1.00 0.00 O ATOM 0 H GLU A 24 -11.372 2.413 5.894 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.993 0.224 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.352 1.103 4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.060 0.112 6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.336 2.179 7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.401 3.057 6.217 1.00 0.00 H new ATOM 311 N LEU A 25 -11.283 -0.599 4.365 1.00 0.00 N ATOM 312 CA LEU A 25 -10.859 -1.699 3.515 1.00 0.00 C ATOM 313 C LEU A 25 -9.598 -2.336 4.103 1.00 0.00 C ATOM 314 O LEU A 25 -9.494 -3.559 4.179 1.00 0.00 O ATOM 315 CB LEU A 25 -10.692 -1.226 2.070 1.00 0.00 C ATOM 316 CG LEU A 25 -11.979 -0.851 1.333 1.00 0.00 C ATOM 317 CD1 LEU A 25 -11.680 0.026 0.116 1.00 0.00 C ATOM 318 CD2 LEU A 25 -12.778 -2.100 0.956 1.00 0.00 C ATOM 0 H LEU A 25 -11.387 0.295 3.885 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.624 -2.474 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.030 -0.360 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.191 -2.013 1.507 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.599 -0.262 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.613 0.278 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.184 0.941 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.030 -0.515 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.688 -1.806 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.176 -2.735 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.040 -2.651 1.859 1.00 0.00 H new ATOM 330 N ASP A 26 -8.672 -1.477 4.505 1.00 0.00 N ATOM 331 CA ASP A 26 -7.423 -1.940 5.084 1.00 0.00 C ATOM 332 C ASP A 26 -7.725 -2.819 6.300 1.00 0.00 C ATOM 333 O ASP A 26 -6.969 -3.740 6.608 1.00 0.00 O ATOM 334 CB ASP A 26 -6.564 -0.765 5.553 1.00 0.00 C ATOM 335 CG ASP A 26 -5.119 -0.779 5.049 1.00 0.00 C ATOM 336 OD1 ASP A 26 -4.939 -1.085 3.851 1.00 0.00 O ATOM 337 OD2 ASP A 26 -4.228 -0.483 5.874 1.00 0.00 O ATOM 0 H ASP A 26 -8.762 -0.463 4.441 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.883 -2.498 4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.037 0.163 5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.553 -0.755 6.643 1.00 0.00 H new ATOM 342 N ALA A 27 -8.830 -2.504 6.958 1.00 0.00 N ATOM 343 CA ALA A 27 -9.241 -3.254 8.133 1.00 0.00 C ATOM 344 C ALA A 27 -10.039 -4.484 7.695 1.00 0.00 C ATOM 345 O ALA A 27 -10.114 -5.472 8.424 1.00 0.00 O ATOM 346 CB ALA A 27 -10.040 -2.343 9.067 1.00 0.00 C ATOM 0 H ALA A 27 -9.454 -1.739 6.700 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.371 -3.606 8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.348 -2.906 9.948 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.419 -1.501 9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.923 -1.972 8.546 1.00 0.00 H new ATOM 352 N GLU A 28 -10.615 -4.383 6.506 1.00 0.00 N ATOM 353 CA GLU A 28 -11.404 -5.475 5.962 1.00 0.00 C ATOM 354 C GLU A 28 -10.499 -6.480 5.248 1.00 0.00 C ATOM 355 O GLU A 28 -10.977 -7.475 4.704 1.00 0.00 O ATOM 356 CB GLU A 28 -12.491 -4.951 5.021 1.00 0.00 C ATOM 357 CG GLU A 28 -13.504 -4.092 5.780 1.00 0.00 C ATOM 358 CD GLU A 28 -14.770 -4.890 6.099 1.00 0.00 C ATOM 359 OE1 GLU A 28 -14.727 -5.647 7.093 1.00 0.00 O ATOM 360 OE2 GLU A 28 -15.751 -4.726 5.342 1.00 0.00 O ATOM 0 H GLU A 28 -10.551 -3.562 5.904 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.900 -5.985 6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.035 -4.364 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.002 -5.789 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.057 -3.728 6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.762 -3.216 5.184 1.00 0.00 H new ATOM 367 N SER A 29 -9.207 -6.186 5.271 1.00 0.00 N ATOM 368 CA SER A 29 -8.230 -7.052 4.633 1.00 0.00 C ATOM 369 C SER A 29 -8.231 -6.815 3.121 1.00 0.00 C ATOM 370 O SER A 29 -7.491 -7.468 2.387 1.00 0.00 O ATOM 371 CB SER A 29 -8.515 -8.523 4.939 1.00 0.00 C ATOM 372 OG SER A 29 -9.364 -9.118 3.962 1.00 0.00 O ATOM 0 H SER A 29 -8.814 -5.360 5.722 1.00 0.00 H new ATOM 0 HA SER A 29 -7.245 -6.810 5.033 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.575 -9.072 4.985 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.980 -8.605 5.921 1.00 0.00 H new ATOM 0 HG SER A 29 -10.272 -8.763 4.058 1.00 0.00 H new ATOM 378 N ARG A 30 -9.068 -5.878 2.701 1.00 0.00 N ATOM 379 CA ARG A 30 -9.175 -5.547 1.290 1.00 0.00 C ATOM 380 C ARG A 30 -8.118 -4.508 0.908 1.00 0.00 C ATOM 381 O ARG A 30 -8.454 -3.397 0.501 1.00 0.00 O ATOM 382 CB ARG A 30 -10.563 -4.999 0.956 1.00 0.00 C ATOM 383 CG ARG A 30 -11.660 -5.920 1.494 1.00 0.00 C ATOM 384 CD ARG A 30 -13.049 -5.384 1.139 1.00 0.00 C ATOM 385 NE ARG A 30 -13.793 -6.391 0.349 1.00 0.00 N ATOM 386 CZ ARG A 30 -14.257 -7.544 0.848 1.00 0.00 C ATOM 387 NH1 ARG A 30 -14.056 -7.845 2.138 1.00 0.00 N ATOM 388 NH2 ARG A 30 -14.921 -8.398 0.056 1.00 0.00 N ATOM 0 H ARG A 30 -9.679 -5.337 3.313 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.013 -6.463 0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.677 -4.003 1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.667 -4.896 -0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.535 -6.920 1.080 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.566 -6.009 2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.599 -5.145 2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.956 -4.459 0.570 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.963 -6.194 -0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.550 -7.196 2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.409 -8.723 2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.073 -8.170 -0.926 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.274 -9.276 0.436 1.00 0.00 H new ATOM 402 N TYR A 31 -6.863 -4.907 1.053 1.00 0.00 N ATOM 403 CA TYR A 31 -5.755 -4.024 0.728 1.00 0.00 C ATOM 404 C TYR A 31 -5.810 -3.593 -0.739 1.00 0.00 C ATOM 405 O TYR A 31 -5.454 -2.463 -1.071 1.00 0.00 O ATOM 406 CB TYR A 31 -4.483 -4.841 0.960 1.00 0.00 C ATOM 407 CG TYR A 31 -4.271 -5.264 2.415 1.00 0.00 C ATOM 408 CD1 TYR A 31 -4.359 -4.329 3.425 1.00 0.00 C ATOM 409 CD2 TYR A 31 -3.993 -6.582 2.717 1.00 0.00 C ATOM 410 CE1 TYR A 31 -4.160 -4.727 4.795 1.00 0.00 C ATOM 411 CE2 TYR A 31 -3.793 -6.980 4.086 1.00 0.00 C ATOM 412 CZ TYR A 31 -3.887 -6.033 5.057 1.00 0.00 C ATOM 413 OH TYR A 31 -3.699 -6.409 6.351 1.00 0.00 O ATOM 0 H TYR A 31 -6.589 -5.829 1.391 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.790 -3.123 1.340 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.517 -5.733 0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.623 -4.256 0.634 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.577 -3.298 3.189 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.926 -7.315 1.926 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.226 -4.005 5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.573 -8.007 4.336 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.513 -7.370 6.389 1.00 0.00 H new ATOM 423 N GLN A 32 -6.260 -4.515 -1.577 1.00 0.00 N ATOM 424 CA GLN A 32 -6.366 -4.244 -3.001 1.00 0.00 C ATOM 425 C GLN A 32 -7.328 -3.081 -3.250 1.00 0.00 C ATOM 426 O GLN A 32 -7.294 -2.458 -4.310 1.00 0.00 O ATOM 427 CB GLN A 32 -6.807 -5.494 -3.765 1.00 0.00 C ATOM 428 CG GLN A 32 -5.753 -5.909 -4.794 1.00 0.00 C ATOM 429 CD GLN A 32 -5.885 -5.086 -6.077 1.00 0.00 C ATOM 430 OE1 GLN A 32 -6.874 -5.152 -6.788 1.00 0.00 O ATOM 431 NE2 GLN A 32 -4.836 -4.309 -6.331 1.00 0.00 N ATOM 0 H GLN A 32 -6.555 -5.450 -1.298 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.381 -3.960 -3.372 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.978 -6.311 -3.064 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.755 -5.302 -4.268 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.756 -5.776 -4.373 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.862 -6.969 -5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.040 -4.302 -5.693 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.827 -3.720 -7.164 1.00 0.00 H new ATOM 440 N GLN A 33 -8.164 -2.823 -2.255 1.00 0.00 N ATOM 441 CA GLN A 33 -9.134 -1.746 -2.352 1.00 0.00 C ATOM 442 C GLN A 33 -8.691 -0.554 -1.502 1.00 0.00 C ATOM 443 O GLN A 33 -8.914 0.597 -1.875 1.00 0.00 O ATOM 444 CB GLN A 33 -10.528 -2.224 -1.942 1.00 0.00 C ATOM 445 CG GLN A 33 -10.962 -3.432 -2.776 1.00 0.00 C ATOM 446 CD GLN A 33 -12.487 -3.540 -2.832 1.00 0.00 C ATOM 447 OE1 GLN A 33 -13.089 -4.457 -2.299 1.00 0.00 O ATOM 448 NE2 GLN A 33 -13.075 -2.557 -3.507 1.00 0.00 N ATOM 0 H GLN A 33 -8.189 -3.342 -1.377 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.188 -1.425 -3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.529 -2.489 -0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.246 -1.414 -2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.563 -3.343 -3.786 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.545 -4.343 -2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.511 -1.819 -3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.090 -2.540 -3.603 1.00 0.00 H new ATOM 457 N ALA A 34 -8.071 -0.870 -0.374 1.00 0.00 N ATOM 458 CA ALA A 34 -7.595 0.160 0.532 1.00 0.00 C ATOM 459 C ALA A 34 -6.417 0.895 -0.111 1.00 0.00 C ATOM 460 O ALA A 34 -6.079 2.007 0.292 1.00 0.00 O ATOM 461 CB ALA A 34 -7.223 -0.473 1.875 1.00 0.00 C ATOM 0 H ALA A 34 -7.888 -1.825 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.378 0.894 0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.866 0.300 2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.100 -0.957 2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.438 -1.214 1.723 1.00 0.00 H new ATOM 467 N LEU A 35 -5.825 0.244 -1.102 1.00 0.00 N ATOM 468 CA LEU A 35 -4.692 0.822 -1.805 1.00 0.00 C ATOM 469 C LEU A 35 -5.178 1.978 -2.682 1.00 0.00 C ATOM 470 O LEU A 35 -4.803 3.129 -2.461 1.00 0.00 O ATOM 471 CB LEU A 35 -3.933 -0.259 -2.577 1.00 0.00 C ATOM 472 CG LEU A 35 -2.569 0.149 -3.137 1.00 0.00 C ATOM 473 CD1 LEU A 35 -2.719 0.876 -4.474 1.00 0.00 C ATOM 474 CD2 LEU A 35 -1.785 0.980 -2.118 1.00 0.00 C ATOM 0 H LEU A 35 -6.109 -0.678 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.975 1.238 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.792 -1.116 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.558 -0.593 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.993 -0.757 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.734 1.155 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.209 0.219 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.321 1.774 -4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.819 1.257 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.347 1.882 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.630 0.393 -1.212 1.00 0.00 H new ATOM 486 N VAL A 36 -6.004 1.632 -3.658 1.00 0.00 N ATOM 487 CA VAL A 36 -6.544 2.627 -4.569 1.00 0.00 C ATOM 488 C VAL A 36 -7.113 3.795 -3.761 1.00 0.00 C ATOM 489 O VAL A 36 -6.817 4.954 -4.048 1.00 0.00 O ATOM 490 CB VAL A 36 -7.577 1.981 -5.495 1.00 0.00 C ATOM 491 CG1 VAL A 36 -7.133 0.580 -5.920 1.00 0.00 C ATOM 492 CG2 VAL A 36 -8.957 1.943 -4.836 1.00 0.00 C ATOM 0 H VAL A 36 -6.313 0.677 -3.838 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.758 3.027 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.652 2.595 -6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.885 0.144 -6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.182 0.644 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.015 -0.048 -5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.672 1.479 -5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.904 1.364 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.280 2.959 -4.608 1.00 0.00 H new ATOM 502 N CYS A 37 -7.919 3.450 -2.768 1.00 0.00 N ATOM 503 CA CYS A 37 -8.531 4.456 -1.917 1.00 0.00 C ATOM 504 C CYS A 37 -7.424 5.352 -1.358 1.00 0.00 C ATOM 505 O CYS A 37 -7.446 6.566 -1.552 1.00 0.00 O ATOM 506 CB CYS A 37 -9.369 3.823 -0.805 1.00 0.00 C ATOM 507 SG CYS A 37 -10.661 2.748 -1.529 1.00 0.00 S ATOM 0 H CYS A 37 -8.163 2.488 -2.534 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.223 5.060 -2.504 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.729 3.240 -0.143 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.831 4.602 -0.198 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.142 1.599 -1.845 1.00 0.00 H new ATOM 513 N TYR A 38 -6.482 4.717 -0.676 1.00 0.00 N ATOM 514 CA TYR A 38 -5.368 5.442 -0.088 1.00 0.00 C ATOM 515 C TYR A 38 -4.711 6.366 -1.115 1.00 0.00 C ATOM 516 O TYR A 38 -4.364 7.503 -0.799 1.00 0.00 O ATOM 517 CB TYR A 38 -4.356 4.379 0.345 1.00 0.00 C ATOM 518 CG TYR A 38 -4.512 3.925 1.798 1.00 0.00 C ATOM 519 CD1 TYR A 38 -4.790 4.850 2.784 1.00 0.00 C ATOM 520 CD2 TYR A 38 -4.376 2.591 2.122 1.00 0.00 C ATOM 521 CE1 TYR A 38 -4.938 4.423 4.151 1.00 0.00 C ATOM 522 CE2 TYR A 38 -4.524 2.163 3.489 1.00 0.00 C ATOM 523 CZ TYR A 38 -4.798 3.100 4.436 1.00 0.00 C ATOM 524 OH TYR A 38 -4.937 2.697 5.727 1.00 0.00 O ATOM 0 H TYR A 38 -6.467 3.709 -0.518 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.708 6.060 0.743 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.454 3.512 -0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.349 4.772 0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.897 5.894 2.530 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.158 1.867 1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.155 5.136 4.932 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.420 1.122 3.756 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.653 1.763 5.810 1.00 0.00 H new ATOM 534 N GLN A 39 -4.561 5.844 -2.323 1.00 0.00 N ATOM 535 CA GLN A 39 -3.952 6.608 -3.398 1.00 0.00 C ATOM 536 C GLN A 39 -4.888 7.732 -3.846 1.00 0.00 C ATOM 537 O GLN A 39 -4.445 8.855 -4.085 1.00 0.00 O ATOM 538 CB GLN A 39 -3.582 5.702 -4.574 1.00 0.00 C ATOM 539 CG GLN A 39 -2.702 4.538 -4.113 1.00 0.00 C ATOM 540 CD GLN A 39 -1.261 4.715 -4.595 1.00 0.00 C ATOM 541 OE1 GLN A 39 -0.920 4.429 -5.731 1.00 0.00 O ATOM 542 NE2 GLN A 39 -0.437 5.201 -3.671 1.00 0.00 N ATOM 0 H GLN A 39 -4.851 4.901 -2.581 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.031 7.055 -3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.489 5.315 -5.039 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.057 6.282 -5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.720 4.473 -3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.104 3.600 -4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.788 5.419 -2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.546 5.355 -3.895 1.00 0.00 H new ATOM 551 N GLU A 40 -6.164 7.392 -3.947 1.00 0.00 N ATOM 552 CA GLU A 40 -7.166 8.358 -4.362 1.00 0.00 C ATOM 553 C GLU A 40 -7.100 9.605 -3.477 1.00 0.00 C ATOM 554 O GLU A 40 -7.163 10.728 -3.975 1.00 0.00 O ATOM 555 CB GLU A 40 -8.567 7.742 -4.336 1.00 0.00 C ATOM 556 CG GLU A 40 -8.631 6.491 -5.215 1.00 0.00 C ATOM 557 CD GLU A 40 -9.664 6.658 -6.332 1.00 0.00 C ATOM 558 OE1 GLU A 40 -10.868 6.630 -5.999 1.00 0.00 O ATOM 559 OE2 GLU A 40 -9.225 6.810 -7.492 1.00 0.00 O ATOM 0 H GLU A 40 -6.527 6.460 -3.748 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.953 8.653 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.837 7.485 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.296 8.473 -4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.650 6.296 -5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.887 5.626 -4.604 1.00 0.00 H new ATOM 566 N GLY A 41 -6.975 9.365 -2.180 1.00 0.00 N ATOM 567 CA GLY A 41 -6.899 10.454 -1.221 1.00 0.00 C ATOM 568 C GLY A 41 -5.572 11.205 -1.348 1.00 0.00 C ATOM 569 O GLY A 41 -5.551 12.435 -1.374 1.00 0.00 O ATOM 0 H GLY A 41 -6.924 8.432 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.728 11.143 -1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.003 10.061 -0.210 1.00 0.00 H new ATOM 573 N ILE A 42 -4.497 10.434 -1.423 1.00 0.00 N ATOM 574 CA ILE A 42 -3.170 11.011 -1.546 1.00 0.00 C ATOM 575 C ILE A 42 -3.140 11.961 -2.745 1.00 0.00 C ATOM 576 O ILE A 42 -2.795 13.133 -2.604 1.00 0.00 O ATOM 577 CB ILE A 42 -2.110 9.909 -1.608 1.00 0.00 C ATOM 578 CG1 ILE A 42 -1.866 9.304 -0.224 1.00 0.00 C ATOM 579 CG2 ILE A 42 -0.818 10.426 -2.244 1.00 0.00 C ATOM 580 CD1 ILE A 42 -1.728 7.782 -0.307 1.00 0.00 C ATOM 0 H ILE A 42 -4.518 9.414 -1.401 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.930 11.604 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.485 9.110 -2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.962 9.732 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.691 9.562 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.082 9.623 -2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.024 10.770 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.427 11.254 -1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.555 7.377 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.643 7.356 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.887 7.528 -0.952 1.00 0.00 H new ATOM 592 N ASP A 43 -3.506 11.419 -3.897 1.00 0.00 N ATOM 593 CA ASP A 43 -3.526 12.204 -5.120 1.00 0.00 C ATOM 594 C ASP A 43 -4.274 13.515 -4.867 1.00 0.00 C ATOM 595 O ASP A 43 -3.812 14.583 -5.265 1.00 0.00 O ATOM 596 CB ASP A 43 -4.249 11.457 -6.243 1.00 0.00 C ATOM 597 CG ASP A 43 -3.727 11.745 -7.652 1.00 0.00 C ATOM 598 OD1 ASP A 43 -2.783 12.558 -7.752 1.00 0.00 O ATOM 599 OD2 ASP A 43 -4.284 11.146 -8.597 1.00 0.00 O ATOM 0 H ASP A 43 -3.791 10.446 -4.010 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.494 12.391 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.172 10.386 -6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.308 11.712 -6.205 1.00 0.00 H new ATOM 604 N MET A 44 -5.416 13.390 -4.208 1.00 0.00 N ATOM 605 CA MET A 44 -6.232 14.551 -3.898 1.00 0.00 C ATOM 606 C MET A 44 -5.488 15.512 -2.969 1.00 0.00 C ATOM 607 O MET A 44 -5.327 16.689 -3.288 1.00 0.00 O ATOM 608 CB MET A 44 -7.532 14.098 -3.229 1.00 0.00 C ATOM 609 CG MET A 44 -8.549 13.627 -4.270 1.00 0.00 C ATOM 610 SD MET A 44 -10.124 13.318 -3.488 1.00 0.00 S ATOM 611 CE MET A 44 -10.009 11.553 -3.248 1.00 0.00 C ATOM 0 H MET A 44 -5.796 12.502 -3.880 1.00 0.00 H new ATOM 0 HA MET A 44 -6.455 15.074 -4.828 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.322 13.290 -2.529 1.00 0.00 H new ATOM 0 HB3 MET A 44 -7.953 14.920 -2.650 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.662 14.382 -5.048 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.191 12.720 -4.756 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.885 11.202 -2.703 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.961 11.056 -4.217 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.110 11.321 -2.677 1.00 0.00 H new ATOM 621 N LEU A 45 -5.054 14.975 -1.838 1.00 0.00 N ATOM 622 CA LEU A 45 -4.330 15.770 -0.861 1.00 0.00 C ATOM 623 C LEU A 45 -3.167 16.485 -1.552 1.00 0.00 C ATOM 624 O LEU A 45 -3.018 17.700 -1.427 1.00 0.00 O ATOM 625 CB LEU A 45 -3.901 14.902 0.324 1.00 0.00 C ATOM 626 CG LEU A 45 -5.032 14.260 1.129 1.00 0.00 C ATOM 627 CD1 LEU A 45 -4.579 12.937 1.750 1.00 0.00 C ATOM 628 CD2 LEU A 45 -5.577 15.229 2.179 1.00 0.00 C ATOM 0 H LEU A 45 -5.190 13.999 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.977 16.542 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.251 14.110 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.303 15.514 0.999 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.851 14.032 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.401 12.501 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.277 12.249 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.735 13.118 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.380 14.747 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.777 15.511 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.963 16.121 1.685 1.00 0.00 H new ATOM 640 N LEU A 46 -2.373 15.702 -2.267 1.00 0.00 N ATOM 641 CA LEU A 46 -1.229 16.246 -2.979 1.00 0.00 C ATOM 642 C LEU A 46 -1.607 17.598 -3.586 1.00 0.00 C ATOM 643 O LEU A 46 -0.968 18.610 -3.302 1.00 0.00 O ATOM 644 CB LEU A 46 -0.705 15.236 -4.002 1.00 0.00 C ATOM 645 CG LEU A 46 0.512 14.414 -3.573 1.00 0.00 C ATOM 646 CD1 LEU A 46 1.071 13.607 -4.746 1.00 0.00 C ATOM 647 CD2 LEU A 46 1.577 15.306 -2.931 1.00 0.00 C ATOM 0 H LEU A 46 -2.499 14.695 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.402 16.426 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.513 14.548 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.451 15.773 -4.916 1.00 0.00 H new ATOM 0 HG LEU A 46 0.191 13.699 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.935 13.032 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.304 12.927 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.372 14.286 -5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.431 14.697 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.900 16.061 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.159 15.796 -2.052 1.00 0.00 H new ATOM 659 N GLN A 47 -2.643 17.571 -4.411 1.00 0.00 N ATOM 660 CA GLN A 47 -3.113 18.783 -5.061 1.00 0.00 C ATOM 661 C GLN A 47 -3.515 19.824 -4.015 1.00 0.00 C ATOM 662 O GLN A 47 -3.266 21.016 -4.193 1.00 0.00 O ATOM 663 CB GLN A 47 -4.276 18.480 -6.009 1.00 0.00 C ATOM 664 CG GLN A 47 -3.879 17.426 -7.044 1.00 0.00 C ATOM 665 CD GLN A 47 -4.204 17.900 -8.462 1.00 0.00 C ATOM 666 OE1 GLN A 47 -5.351 18.083 -8.836 1.00 0.00 O ATOM 667 NE2 GLN A 47 -3.133 18.089 -9.228 1.00 0.00 N ATOM 0 H GLN A 47 -3.170 16.730 -4.644 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.298 19.192 -5.658 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.134 18.128 -5.437 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.585 19.394 -6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.813 17.215 -6.963 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.405 16.494 -6.839 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.200 17.917 -8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.244 18.406 -10.191 1.00 0.00 H new ATOM 676 N VAL A 48 -4.130 19.338 -2.947 1.00 0.00 N ATOM 677 CA VAL A 48 -4.569 20.212 -1.873 1.00 0.00 C ATOM 678 C VAL A 48 -3.351 20.890 -1.243 1.00 0.00 C ATOM 679 O VAL A 48 -3.324 22.111 -1.094 1.00 0.00 O ATOM 680 CB VAL A 48 -5.402 19.421 -0.862 1.00 0.00 C ATOM 681 CG1 VAL A 48 -5.725 20.272 0.368 1.00 0.00 C ATOM 682 CG2 VAL A 48 -6.680 18.881 -1.507 1.00 0.00 C ATOM 0 H VAL A 48 -4.335 18.349 -2.803 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.215 20.999 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.808 18.569 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.318 19.686 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.798 20.584 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.290 21.153 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.253 18.323 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.279 19.712 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.419 18.223 -2.336 1.00 0.00 H new ATOM 692 N LEU A 49 -2.372 20.069 -0.891 1.00 0.00 N ATOM 693 CA LEU A 49 -1.154 20.575 -0.281 1.00 0.00 C ATOM 694 C LEU A 49 -0.591 21.708 -1.141 1.00 0.00 C ATOM 695 O LEU A 49 -0.192 22.748 -0.620 1.00 0.00 O ATOM 696 CB LEU A 49 -0.163 19.435 -0.040 1.00 0.00 C ATOM 697 CG LEU A 49 0.803 19.622 1.132 1.00 0.00 C ATOM 698 CD1 LEU A 49 2.103 18.849 0.901 1.00 0.00 C ATOM 699 CD2 LEU A 49 1.058 21.107 1.400 1.00 0.00 C ATOM 0 H LEU A 49 -2.398 19.057 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.366 20.996 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.728 18.517 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.422 19.291 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 49 0.338 19.208 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.771 18.999 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.881 17.787 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.584 19.209 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.748 21.212 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.492 21.568 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.116 21.600 1.641 1.00 0.00 H new ATOM 711 N LYS A 50 -0.575 21.468 -2.444 1.00 0.00 N ATOM 712 CA LYS A 50 -0.067 22.455 -3.381 1.00 0.00 C ATOM 713 C LYS A 50 -0.806 23.778 -3.172 1.00 0.00 C ATOM 714 O LYS A 50 -0.206 24.849 -3.257 1.00 0.00 O ATOM 715 CB LYS A 50 -0.149 21.925 -4.814 1.00 0.00 C ATOM 716 CG LYS A 50 0.889 20.826 -5.052 1.00 0.00 C ATOM 717 CD LYS A 50 2.152 21.396 -5.701 1.00 0.00 C ATOM 718 CE LYS A 50 2.387 20.777 -7.080 1.00 0.00 C ATOM 719 NZ LYS A 50 3.796 20.348 -7.222 1.00 0.00 N ATOM 0 H LYS A 50 -0.906 20.604 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 50 0.990 22.647 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.148 21.534 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.013 22.742 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.145 20.351 -4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.465 20.052 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.060 22.478 -5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.013 21.204 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.725 19.923 -7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.141 21.501 -7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.938 19.930 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.422 21.171 -7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.019 19.641 -6.492 1.00 0.00 H new ATOM 733 N GLY A 51 -2.098 23.661 -2.902 1.00 0.00 N ATOM 734 CA GLY A 51 -2.925 24.835 -2.679 1.00 0.00 C ATOM 735 C GLY A 51 -2.794 25.334 -1.239 1.00 0.00 C ATOM 736 O GLY A 51 -2.966 26.522 -0.971 1.00 0.00 O ATOM 0 H GLY A 51 -2.592 22.771 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.633 25.626 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.967 24.596 -2.891 1.00 0.00 H new ATOM 740 N THR A 52 -2.489 24.400 -0.349 1.00 0.00 N ATOM 741 CA THR A 52 -2.333 24.730 1.057 1.00 0.00 C ATOM 742 C THR A 52 -1.143 25.672 1.255 1.00 0.00 C ATOM 743 O THR A 52 -0.009 25.321 0.934 1.00 0.00 O ATOM 744 CB THR A 52 -2.207 23.421 1.839 1.00 0.00 C ATOM 745 OG1 THR A 52 -3.476 22.794 1.673 1.00 0.00 O ATOM 746 CG2 THR A 52 -2.099 23.648 3.348 1.00 0.00 C ATOM 0 H THR A 52 -2.346 23.416 -0.575 1.00 0.00 H new ATOM 0 HA THR A 52 -3.202 25.269 1.435 1.00 0.00 H new ATOM 0 HB THR A 52 -1.331 22.874 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.537 22.413 0.772 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.012 22.687 3.855 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.218 24.253 3.563 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.990 24.166 3.703 1.00 0.00 H new ATOM 754 N LYS A 53 -1.444 26.850 1.782 1.00 0.00 N ATOM 755 CA LYS A 53 -0.414 27.845 2.026 1.00 0.00 C ATOM 756 C LYS A 53 0.023 27.772 3.491 1.00 0.00 C ATOM 757 O LYS A 53 1.217 27.786 3.788 1.00 0.00 O ATOM 758 CB LYS A 53 -0.896 29.232 1.597 1.00 0.00 C ATOM 759 CG LYS A 53 0.282 30.126 1.205 1.00 0.00 C ATOM 760 CD LYS A 53 0.991 30.675 2.444 1.00 0.00 C ATOM 761 CE LYS A 53 1.334 32.156 2.269 1.00 0.00 C ATOM 762 NZ LYS A 53 0.694 32.966 3.329 1.00 0.00 N ATOM 0 H LYS A 53 -2.386 27.137 2.047 1.00 0.00 H new ATOM 0 HA LYS A 53 0.467 27.637 1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.582 29.138 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.453 29.695 2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.988 29.558 0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.073 30.952 0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.354 30.547 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.903 30.106 2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.415 32.291 2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.000 32.499 1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.937 33.968 3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.338 32.851 3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.032 32.649 4.260 1.00 0.00 H new ATOM 776 N GLU A 54 -0.967 27.695 4.368 1.00 0.00 N ATOM 777 CA GLU A 54 -0.700 27.620 5.794 1.00 0.00 C ATOM 778 C GLU A 54 0.461 26.662 6.066 1.00 0.00 C ATOM 779 O GLU A 54 0.314 25.448 5.930 1.00 0.00 O ATOM 780 CB GLU A 54 -1.952 27.197 6.565 1.00 0.00 C ATOM 781 CG GLU A 54 -3.170 28.011 6.122 1.00 0.00 C ATOM 782 CD GLU A 54 -2.803 29.485 5.931 1.00 0.00 C ATOM 783 OE1 GLU A 54 -2.257 30.063 6.894 1.00 0.00 O ATOM 784 OE2 GLU A 54 -3.078 29.999 4.825 1.00 0.00 O ATOM 0 H GLU A 54 -1.956 27.683 4.118 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.417 28.613 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.141 26.136 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.788 27.333 7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.563 27.606 5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.961 27.923 6.866 1.00 0.00 H new ATOM 791 N SER A 55 1.590 27.243 6.446 1.00 0.00 N ATOM 792 CA SER A 55 2.775 26.456 6.739 1.00 0.00 C ATOM 793 C SER A 55 2.434 25.346 7.735 1.00 0.00 C ATOM 794 O SER A 55 3.138 24.341 7.815 1.00 0.00 O ATOM 795 CB SER A 55 3.898 27.337 7.291 1.00 0.00 C ATOM 796 OG SER A 55 5.117 26.614 7.445 1.00 0.00 O ATOM 0 H SER A 55 1.709 28.250 6.558 1.00 0.00 H new ATOM 0 HA SER A 55 3.125 26.006 5.810 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.059 28.181 6.621 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.596 27.748 8.254 1.00 0.00 H new ATOM 0 HG SER A 55 5.809 27.211 7.798 1.00 0.00 H new ATOM 802 N SER A 56 1.353 25.565 8.469 1.00 0.00 N ATOM 803 CA SER A 56 0.909 24.596 9.456 1.00 0.00 C ATOM 804 C SER A 56 0.179 23.442 8.766 1.00 0.00 C ATOM 805 O SER A 56 0.482 22.276 9.010 1.00 0.00 O ATOM 806 CB SER A 56 0.002 25.249 10.501 1.00 0.00 C ATOM 807 OG SER A 56 -1.076 25.962 9.900 1.00 0.00 O ATOM 0 H SER A 56 0.771 26.400 8.400 1.00 0.00 H new ATOM 0 HA SER A 56 1.787 24.206 9.970 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.396 24.482 11.166 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.589 25.931 11.116 1.00 0.00 H new ATOM 0 HG SER A 56 -1.633 26.363 10.599 1.00 0.00 H new ATOM 813 N LYS A 57 -0.771 23.809 7.917 1.00 0.00 N ATOM 814 CA LYS A 57 -1.547 22.819 7.189 1.00 0.00 C ATOM 815 C LYS A 57 -0.598 21.900 6.417 1.00 0.00 C ATOM 816 O LYS A 57 -0.655 20.680 6.563 1.00 0.00 O ATOM 817 CB LYS A 57 -2.594 23.502 6.308 1.00 0.00 C ATOM 818 CG LYS A 57 -3.700 24.131 7.157 1.00 0.00 C ATOM 819 CD LYS A 57 -4.955 24.389 6.320 1.00 0.00 C ATOM 820 CE LYS A 57 -6.138 23.570 6.840 1.00 0.00 C ATOM 821 NZ LYS A 57 -7.118 24.448 7.519 1.00 0.00 N ATOM 0 H LYS A 57 -1.020 24.778 7.717 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.107 22.190 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.117 24.270 5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.027 22.775 5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.943 23.471 7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.346 25.068 7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.203 25.450 6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.761 24.133 5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.620 23.050 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.783 22.807 7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.914 23.876 7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.659 24.925 8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.470 25.160 6.848 1.00 0.00 H new ATOM 835 N ARG A 58 0.252 22.521 5.613 1.00 0.00 N ATOM 836 CA ARG A 58 1.212 21.774 4.818 1.00 0.00 C ATOM 837 C ARG A 58 1.899 20.710 5.677 1.00 0.00 C ATOM 838 O ARG A 58 2.112 19.586 5.225 1.00 0.00 O ATOM 839 CB ARG A 58 2.273 22.701 4.222 1.00 0.00 C ATOM 840 CG ARG A 58 1.684 23.561 3.102 1.00 0.00 C ATOM 841 CD ARG A 58 2.061 25.032 3.283 1.00 0.00 C ATOM 842 NE ARG A 58 2.461 25.616 1.984 1.00 0.00 N ATOM 843 CZ ARG A 58 3.657 25.426 1.410 1.00 0.00 C ATOM 844 NH1 ARG A 58 4.577 24.665 2.018 1.00 0.00 N ATOM 845 NH2 ARG A 58 3.932 25.995 0.229 1.00 0.00 N ATOM 0 H ARG A 58 0.296 23.533 5.495 1.00 0.00 H new ATOM 0 HA ARG A 58 0.667 21.294 4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.680 23.344 5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.101 22.109 3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.046 23.205 2.137 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.599 23.459 3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.216 25.584 3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.879 25.121 3.998 1.00 0.00 H new ATOM 0 HE ARG A 58 1.784 26.200 1.494 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.367 24.231 2.917 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.488 24.520 1.582 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.231 26.573 -0.234 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.843 25.850 -0.207 1.00 0.00 H new ATOM 859 N CYS A 59 2.226 21.102 6.899 1.00 0.00 N ATOM 860 CA CYS A 59 2.884 20.196 7.825 1.00 0.00 C ATOM 861 C CYS A 59 1.966 18.993 8.054 1.00 0.00 C ATOM 862 O CYS A 59 2.412 17.848 7.996 1.00 0.00 O ATOM 863 CB CYS A 59 3.248 20.894 9.137 1.00 0.00 C ATOM 864 SG CYS A 59 4.843 20.251 9.766 1.00 0.00 S ATOM 0 H CYS A 59 2.048 22.035 7.270 1.00 0.00 H new ATOM 0 HA CYS A 59 3.827 19.856 7.397 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.317 21.970 8.979 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.463 20.730 9.876 1.00 0.00 H new ATOM 0 HG CYS A 59 5.144 20.851 10.879 1.00 0.00 H new ATOM 870 N VAL A 60 0.702 19.294 8.308 1.00 0.00 N ATOM 871 CA VAL A 60 -0.283 18.252 8.546 1.00 0.00 C ATOM 872 C VAL A 60 -0.445 17.412 7.278 1.00 0.00 C ATOM 873 O VAL A 60 -0.299 16.191 7.316 1.00 0.00 O ATOM 874 CB VAL A 60 -1.597 18.873 9.025 1.00 0.00 C ATOM 875 CG1 VAL A 60 -2.663 17.798 9.244 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.382 19.700 10.294 1.00 0.00 C ATOM 0 H VAL A 60 0.336 20.245 8.354 1.00 0.00 H new ATOM 0 HA VAL A 60 0.052 17.583 9.339 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.955 19.545 8.245 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.587 18.266 9.584 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.846 17.271 8.307 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.316 17.090 9.997 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.331 20.130 10.613 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.990 19.059 11.084 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.671 20.501 10.090 1.00 0.00 H new ATOM 886 N LEU A 61 -0.746 18.098 6.186 1.00 0.00 N ATOM 887 CA LEU A 61 -0.930 17.430 4.909 1.00 0.00 C ATOM 888 C LEU A 61 0.272 16.524 4.634 1.00 0.00 C ATOM 889 O LEU A 61 0.127 15.306 4.539 1.00 0.00 O ATOM 890 CB LEU A 61 -1.195 18.453 3.802 1.00 0.00 C ATOM 891 CG LEU A 61 -2.599 19.059 3.772 1.00 0.00 C ATOM 892 CD1 LEU A 61 -2.623 20.346 2.944 1.00 0.00 C ATOM 893 CD2 LEU A 61 -3.626 18.039 3.275 1.00 0.00 C ATOM 0 H LEU A 61 -0.867 19.110 6.159 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.812 16.790 4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.473 19.263 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.006 17.976 2.840 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.878 19.326 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.633 20.757 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.938 21.073 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.315 20.127 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.616 18.495 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.362 17.719 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.632 17.175 3.940 1.00 0.00 H new ATOM 905 N ARG A 62 1.432 17.154 4.514 1.00 0.00 N ATOM 906 CA ARG A 62 2.658 16.420 4.252 1.00 0.00 C ATOM 907 C ARG A 62 2.768 15.217 5.191 1.00 0.00 C ATOM 908 O ARG A 62 3.351 14.195 4.831 1.00 0.00 O ATOM 909 CB ARG A 62 3.885 17.315 4.435 1.00 0.00 C ATOM 910 CG ARG A 62 4.076 18.237 3.229 1.00 0.00 C ATOM 911 CD ARG A 62 5.357 19.062 3.368 1.00 0.00 C ATOM 912 NE ARG A 62 6.111 19.045 2.094 1.00 0.00 N ATOM 913 CZ ARG A 62 6.953 18.068 1.733 1.00 0.00 C ATOM 914 NH1 ARG A 62 7.155 17.022 2.546 1.00 0.00 N ATOM 915 NH2 ARG A 62 7.594 18.136 0.558 1.00 0.00 N ATOM 0 H ARG A 62 1.548 18.164 4.593 1.00 0.00 H new ATOM 0 HA ARG A 62 2.624 16.076 3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.772 17.912 5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.773 16.698 4.570 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.119 17.643 2.316 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.218 18.903 3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.111 20.088 3.641 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.974 18.658 4.171 1.00 0.00 H new ATOM 0 HE ARG A 62 5.981 19.826 1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.667 16.970 3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.796 16.278 2.270 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.441 18.932 -0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.235 17.392 0.283 1.00 0.00 H new ATOM 929 N THR A 63 2.197 15.378 6.376 1.00 0.00 N ATOM 930 CA THR A 63 2.224 14.318 7.369 1.00 0.00 C ATOM 931 C THR A 63 1.127 13.290 7.082 1.00 0.00 C ATOM 932 O THR A 63 1.289 12.106 7.375 1.00 0.00 O ATOM 933 CB THR A 63 2.104 14.962 8.752 1.00 0.00 C ATOM 934 OG1 THR A 63 3.455 15.143 9.168 1.00 0.00 O ATOM 935 CG2 THR A 63 1.518 14.008 9.794 1.00 0.00 C ATOM 0 H THR A 63 1.713 16.226 6.670 1.00 0.00 H new ATOM 0 HA THR A 63 3.163 13.766 7.331 1.00 0.00 H new ATOM 0 HB THR A 63 1.480 15.853 8.685 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.471 15.558 10.056 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.455 14.515 10.757 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.521 13.696 9.482 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.160 13.132 9.887 1.00 0.00 H new ATOM 943 N LYS A 64 0.036 13.780 6.511 1.00 0.00 N ATOM 944 CA LYS A 64 -1.086 12.919 6.180 1.00 0.00 C ATOM 945 C LYS A 64 -0.781 12.164 4.885 1.00 0.00 C ATOM 946 O LYS A 64 -0.838 10.936 4.849 1.00 0.00 O ATOM 947 CB LYS A 64 -2.385 13.727 6.130 1.00 0.00 C ATOM 948 CG LYS A 64 -3.244 13.462 7.368 1.00 0.00 C ATOM 949 CD LYS A 64 -4.624 14.107 7.226 1.00 0.00 C ATOM 950 CE LYS A 64 -4.806 15.241 8.236 1.00 0.00 C ATOM 951 NZ LYS A 64 -6.163 15.200 8.824 1.00 0.00 N ATOM 0 H LYS A 64 -0.094 14.762 6.269 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.233 12.170 6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.154 14.790 6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.945 13.467 5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.354 12.388 7.515 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.744 13.856 8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.746 14.493 6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.398 13.354 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.059 15.156 9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.645 16.201 7.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.269 15.977 9.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.871 15.303 8.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.304 14.291 9.309 1.00 0.00 H new ATOM 965 N ILE A 65 -0.463 12.931 3.852 1.00 0.00 N ATOM 966 CA ILE A 65 -0.148 12.351 2.558 1.00 0.00 C ATOM 967 C ILE A 65 0.845 11.202 2.747 1.00 0.00 C ATOM 968 O ILE A 65 0.514 10.044 2.501 1.00 0.00 O ATOM 969 CB ILE A 65 0.338 13.431 1.590 1.00 0.00 C ATOM 970 CG1 ILE A 65 -0.840 14.215 1.007 1.00 0.00 C ATOM 971 CG2 ILE A 65 1.224 12.830 0.497 1.00 0.00 C ATOM 972 CD1 ILE A 65 -0.490 15.697 0.853 1.00 0.00 C ATOM 0 H ILE A 65 -0.417 13.949 3.885 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.043 11.928 2.103 1.00 0.00 H new ATOM 0 HB ILE A 65 0.951 14.139 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.114 13.800 0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.709 14.108 1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.556 13.619 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.092 12.354 0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.656 12.088 -0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.344 16.231 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.241 16.115 1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.364 15.802 0.184 1.00 0.00 H new ATOM 984 N SER A 66 2.044 11.564 3.181 1.00 0.00 N ATOM 985 CA SER A 66 3.088 10.579 3.405 1.00 0.00 C ATOM 986 C SER A 66 2.549 9.433 4.265 1.00 0.00 C ATOM 987 O SER A 66 2.717 8.264 3.922 1.00 0.00 O ATOM 988 CB SER A 66 4.310 11.213 4.071 1.00 0.00 C ATOM 989 OG SER A 66 5.133 10.242 4.713 1.00 0.00 O ATOM 0 H SER A 66 2.315 12.526 3.383 1.00 0.00 H new ATOM 0 HA SER A 66 3.400 10.184 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.895 11.746 3.322 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.982 11.951 4.803 1.00 0.00 H new ATOM 0 HG SER A 66 5.903 10.687 5.125 1.00 0.00 H new ATOM 995 N GLY A 67 1.914 9.809 5.365 1.00 0.00 N ATOM 996 CA GLY A 67 1.350 8.828 6.276 1.00 0.00 C ATOM 997 C GLY A 67 0.432 7.854 5.534 1.00 0.00 C ATOM 998 O GLY A 67 0.326 6.688 5.909 1.00 0.00 O ATOM 0 H GLY A 67 1.778 10.780 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.153 8.276 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.789 9.336 7.061 1.00 0.00 H new ATOM 1002 N TYR A 68 -0.208 8.370 4.495 1.00 0.00 N ATOM 1003 CA TYR A 68 -1.113 7.561 3.696 1.00 0.00 C ATOM 1004 C TYR A 68 -0.374 6.896 2.533 1.00 0.00 C ATOM 1005 O TYR A 68 -0.897 5.978 1.904 1.00 0.00 O ATOM 1006 CB TYR A 68 -2.159 8.526 3.136 1.00 0.00 C ATOM 1007 CG TYR A 68 -3.128 9.072 4.186 1.00 0.00 C ATOM 1008 CD1 TYR A 68 -3.846 8.202 4.981 1.00 0.00 C ATOM 1009 CD2 TYR A 68 -3.285 10.435 4.339 1.00 0.00 C ATOM 1010 CE1 TYR A 68 -4.759 8.716 5.969 1.00 0.00 C ATOM 1011 CE2 TYR A 68 -4.197 10.949 5.327 1.00 0.00 C ATOM 1012 CZ TYR A 68 -4.889 10.064 6.094 1.00 0.00 C ATOM 1013 OH TYR A 68 -5.751 10.549 7.027 1.00 0.00 O ATOM 0 H TYR A 68 -0.118 9.338 4.188 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.556 6.770 4.301 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.648 9.362 2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.730 8.016 2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.723 7.136 4.862 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.723 11.116 3.717 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.328 8.046 6.597 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.329 12.013 5.456 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.807 9.922 7.778 1.00 0.00 H new ATOM 1023 N MET A 69 0.831 7.387 2.283 1.00 0.00 N ATOM 1024 CA MET A 69 1.648 6.852 1.206 1.00 0.00 C ATOM 1025 C MET A 69 2.392 5.594 1.655 1.00 0.00 C ATOM 1026 O MET A 69 2.526 4.641 0.889 1.00 0.00 O ATOM 1027 CB MET A 69 2.658 7.910 0.758 1.00 0.00 C ATOM 1028 CG MET A 69 1.971 9.022 -0.039 1.00 0.00 C ATOM 1029 SD MET A 69 3.091 9.677 -1.264 1.00 0.00 S ATOM 1030 CE MET A 69 2.838 8.497 -2.579 1.00 0.00 C ATOM 0 H MET A 69 1.261 8.149 2.807 1.00 0.00 H new ATOM 0 HA MET A 69 0.993 6.587 0.376 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.154 8.336 1.630 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.431 7.444 0.147 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.076 8.633 -0.524 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.649 9.817 0.634 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.667 8.554 -3.284 1.00 0.00 H new ATOM 0 HE2 MET A 69 2.786 7.492 -2.161 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.906 8.723 -3.096 1.00 0.00 H new ATOM 1040 N ASP A 70 2.857 5.631 2.896 1.00 0.00 N ATOM 1041 CA ASP A 70 3.584 4.505 3.456 1.00 0.00 C ATOM 1042 C ASP A 70 2.686 3.266 3.444 1.00 0.00 C ATOM 1043 O ASP A 70 3.110 2.191 3.021 1.00 0.00 O ATOM 1044 CB ASP A 70 3.992 4.779 4.905 1.00 0.00 C ATOM 1045 CG ASP A 70 5.024 3.807 5.481 1.00 0.00 C ATOM 1046 OD1 ASP A 70 4.736 2.591 5.452 1.00 0.00 O ATOM 1047 OD2 ASP A 70 6.077 4.302 5.938 1.00 0.00 O ATOM 0 H ASP A 70 2.744 6.423 3.529 1.00 0.00 H new ATOM 0 HA ASP A 70 4.478 4.347 2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.393 5.791 4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.099 4.750 5.530 1.00 0.00 H new ATOM 1052 N ARG A 71 1.462 3.457 3.914 1.00 0.00 N ATOM 1053 CA ARG A 71 0.500 2.369 3.962 1.00 0.00 C ATOM 1054 C ARG A 71 0.210 1.854 2.551 1.00 0.00 C ATOM 1055 O ARG A 71 0.212 0.647 2.315 1.00 0.00 O ATOM 1056 CB ARG A 71 -0.809 2.820 4.613 1.00 0.00 C ATOM 1057 CG ARG A 71 -1.657 1.616 5.030 1.00 0.00 C ATOM 1058 CD ARG A 71 -0.833 0.625 5.855 1.00 0.00 C ATOM 1059 NE ARG A 71 -1.719 -0.138 6.762 1.00 0.00 N ATOM 1060 CZ ARG A 71 -1.292 -0.808 7.841 1.00 0.00 C ATOM 1061 NH1 ARG A 71 0.011 -0.813 8.155 1.00 0.00 N ATOM 1062 NH2 ARG A 71 -2.168 -1.473 8.607 1.00 0.00 N ATOM 0 H ARG A 71 1.114 4.349 4.265 1.00 0.00 H new ATOM 0 HA ARG A 71 0.934 1.569 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.592 3.436 5.485 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.371 3.441 3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.514 1.954 5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.050 1.118 4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.301 -0.058 5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.079 1.159 6.434 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.717 -0.155 6.553 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.678 -0.307 7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.336 -1.323 8.976 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.160 -1.469 8.369 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.843 -1.983 9.428 1.00 0.00 H new ATOM 1076 N ALA A 72 -0.033 2.795 1.651 1.00 0.00 N ATOM 1077 CA ALA A 72 -0.324 2.451 0.269 1.00 0.00 C ATOM 1078 C ALA A 72 0.837 1.637 -0.305 1.00 0.00 C ATOM 1079 O ALA A 72 0.635 0.539 -0.820 1.00 0.00 O ATOM 1080 CB ALA A 72 -0.593 3.728 -0.529 1.00 0.00 C ATOM 0 H ALA A 72 -0.034 3.795 1.851 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.220 1.834 0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.811 3.470 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.446 4.253 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.286 4.372 -0.493 1.00 0.00 H new ATOM 1086 N GLU A 73 2.028 2.209 -0.198 1.00 0.00 N ATOM 1087 CA GLU A 73 3.222 1.550 -0.701 1.00 0.00 C ATOM 1088 C GLU A 73 3.281 0.105 -0.201 1.00 0.00 C ATOM 1089 O GLU A 73 3.129 -0.832 -0.983 1.00 0.00 O ATOM 1090 CB GLU A 73 4.482 2.321 -0.301 1.00 0.00 C ATOM 1091 CG GLU A 73 4.983 3.189 -1.457 1.00 0.00 C ATOM 1092 CD GLU A 73 6.487 3.008 -1.667 1.00 0.00 C ATOM 1093 OE1 GLU A 73 7.231 3.266 -0.696 1.00 0.00 O ATOM 1094 OE2 GLU A 73 6.860 2.615 -2.794 1.00 0.00 O ATOM 0 H GLU A 73 2.192 3.121 0.229 1.00 0.00 H new ATOM 0 HA GLU A 73 3.175 1.535 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.269 2.949 0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.262 1.621 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.450 2.926 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.765 4.237 -1.251 1.00 0.00 H new ATOM 1101 N ASN A 74 3.503 -0.029 1.098 1.00 0.00 N ATOM 1102 CA ASN A 74 3.584 -1.344 1.711 1.00 0.00 C ATOM 1103 C ASN A 74 2.537 -2.263 1.078 1.00 0.00 C ATOM 1104 O ASN A 74 2.822 -3.422 0.781 1.00 0.00 O ATOM 1105 CB ASN A 74 3.302 -1.270 3.213 1.00 0.00 C ATOM 1106 CG ASN A 74 4.476 -1.829 4.020 1.00 0.00 C ATOM 1107 OD1 ASN A 74 4.622 -3.026 4.204 1.00 0.00 O ATOM 1108 ND2 ASN A 74 5.303 -0.898 4.488 1.00 0.00 N ATOM 0 H ASN A 74 3.629 0.751 1.743 1.00 0.00 H new ATOM 0 HA ASN A 74 4.591 -1.728 1.552 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.118 -0.235 3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.397 -1.831 3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.118 -1.170 5.038 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.122 0.087 4.297 1.00 0.00 H new ATOM 1115 N ILE A 75 1.348 -1.711 0.891 1.00 0.00 N ATOM 1116 CA ILE A 75 0.257 -2.466 0.298 1.00 0.00 C ATOM 1117 C ILE A 75 0.612 -2.818 -1.148 1.00 0.00 C ATOM 1118 O ILE A 75 0.714 -3.993 -1.497 1.00 0.00 O ATOM 1119 CB ILE A 75 -1.062 -1.703 0.439 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -1.609 -1.812 1.864 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -2.079 -2.170 -0.603 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -2.878 -0.974 2.030 1.00 0.00 C ATOM 0 H ILE A 75 1.116 -0.749 1.140 1.00 0.00 H new ATOM 0 HA ILE A 75 0.113 -3.407 0.829 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.868 -0.647 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.825 -2.855 2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.853 -1.478 2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.007 -1.612 -0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.681 -1.998 -1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.275 -3.234 -0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.246 -1.069 3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.653 0.072 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.640 -1.327 1.335 1.00 0.00 H new ATOM 1134 N LYS A 76 0.791 -1.779 -1.949 1.00 0.00 N ATOM 1135 CA LYS A 76 1.132 -1.963 -3.349 1.00 0.00 C ATOM 1136 C LYS A 76 2.282 -2.967 -3.461 1.00 0.00 C ATOM 1137 O LYS A 76 2.215 -3.907 -4.252 1.00 0.00 O ATOM 1138 CB LYS A 76 1.426 -0.616 -4.012 1.00 0.00 C ATOM 1139 CG LYS A 76 0.249 -0.161 -4.876 1.00 0.00 C ATOM 1140 CD LYS A 76 0.738 0.442 -6.195 1.00 0.00 C ATOM 1141 CE LYS A 76 1.359 1.822 -5.970 1.00 0.00 C ATOM 1142 NZ LYS A 76 2.679 1.910 -6.633 1.00 0.00 N ATOM 0 H LYS A 76 0.706 -0.806 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 76 0.286 -2.382 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.631 0.133 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.323 -0.697 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.406 -1.008 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.343 0.576 -4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.473 -0.221 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.095 0.524 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.696 2.594 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.469 2.008 -4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.087 2.853 -6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.314 1.186 -6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.565 1.753 -7.655 1.00 0.00 H new ATOM 1156 N LYS A 77 3.309 -2.734 -2.658 1.00 0.00 N ATOM 1157 CA LYS A 77 4.471 -3.606 -2.657 1.00 0.00 C ATOM 1158 C LYS A 77 4.034 -5.031 -2.311 1.00 0.00 C ATOM 1159 O LYS A 77 4.681 -5.997 -2.712 1.00 0.00 O ATOM 1160 CB LYS A 77 5.555 -3.054 -1.729 1.00 0.00 C ATOM 1161 CG LYS A 77 6.437 -2.039 -2.459 1.00 0.00 C ATOM 1162 CD LYS A 77 5.758 -0.669 -2.523 1.00 0.00 C ATOM 1163 CE LYS A 77 4.817 -0.578 -3.726 1.00 0.00 C ATOM 1164 NZ LYS A 77 5.399 0.289 -4.775 1.00 0.00 N ATOM 0 H LYS A 77 3.361 -1.954 -2.003 1.00 0.00 H new ATOM 0 HA LYS A 77 4.921 -3.641 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.091 -2.582 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.170 -3.873 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.395 -1.950 -1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.646 -2.393 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.198 -0.494 -1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.515 0.113 -2.589 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.635 -1.574 -4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.852 -0.180 -3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.910 0.119 -5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.286 1.286 -4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.410 0.072 -4.883 1.00 0.00 H new ATOM 1178 N TYR A 78 2.938 -5.117 -1.571 1.00 0.00 N ATOM 1179 CA TYR A 78 2.407 -6.407 -1.167 1.00 0.00 C ATOM 1180 C TYR A 78 1.389 -6.924 -2.186 1.00 0.00 C ATOM 1181 O TYR A 78 1.130 -8.125 -2.255 1.00 0.00 O ATOM 1182 CB TYR A 78 1.699 -6.172 0.169 1.00 0.00 C ATOM 1183 CG TYR A 78 0.467 -7.054 0.384 1.00 0.00 C ATOM 1184 CD1 TYR A 78 0.619 -8.365 0.787 1.00 0.00 C ATOM 1185 CD2 TYR A 78 -0.796 -6.539 0.175 1.00 0.00 C ATOM 1186 CE1 TYR A 78 -0.540 -9.195 0.990 1.00 0.00 C ATOM 1187 CE2 TYR A 78 -1.955 -7.369 0.377 1.00 0.00 C ATOM 1188 CZ TYR A 78 -1.770 -8.656 0.775 1.00 0.00 C ATOM 1189 OH TYR A 78 -2.864 -9.440 0.966 1.00 0.00 O ATOM 0 H TYR A 78 2.403 -4.314 -1.241 1.00 0.00 H new ATOM 0 HA TYR A 78 3.206 -7.145 -1.093 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.406 -6.349 0.979 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.399 -5.126 0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.607 -8.769 0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.915 -5.513 -0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.435 -10.222 1.306 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.949 -6.978 0.216 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.674 -8.923 0.776 1.00 0.00 H new ATOM 1199 N LEU A 79 0.840 -5.993 -2.951 1.00 0.00 N ATOM 1200 CA LEU A 79 -0.143 -6.339 -3.963 1.00 0.00 C ATOM 1201 C LEU A 79 0.576 -6.711 -5.261 1.00 0.00 C ATOM 1202 O LEU A 79 0.278 -7.738 -5.868 1.00 0.00 O ATOM 1203 CB LEU A 79 -1.164 -5.212 -4.127 1.00 0.00 C ATOM 1204 CG LEU A 79 -1.977 -4.856 -2.880 1.00 0.00 C ATOM 1205 CD1 LEU A 79 -2.781 -3.573 -3.097 1.00 0.00 C ATOM 1206 CD2 LEU A 79 -2.867 -6.026 -2.454 1.00 0.00 C ATOM 0 H LEU A 79 1.057 -4.998 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.716 -7.213 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.638 -4.318 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.857 -5.489 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.282 -4.665 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.349 -3.343 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.101 -2.750 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.467 -3.710 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.434 -5.747 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.556 -6.272 -3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.246 -6.893 -2.230 1.00 0.00 H new ATOM 1218 N ASP A 80 1.510 -5.854 -5.648 1.00 0.00 N ATOM 1219 CA ASP A 80 2.275 -6.079 -6.863 1.00 0.00 C ATOM 1220 C ASP A 80 2.904 -7.473 -6.814 1.00 0.00 C ATOM 1221 O ASP A 80 3.079 -8.116 -7.848 1.00 0.00 O ATOM 1222 CB ASP A 80 3.403 -5.056 -7.002 1.00 0.00 C ATOM 1223 CG ASP A 80 2.975 -3.691 -7.544 1.00 0.00 C ATOM 1224 OD1 ASP A 80 2.723 -3.620 -8.766 1.00 0.00 O ATOM 1225 OD2 ASP A 80 2.910 -2.749 -6.725 1.00 0.00 O ATOM 0 H ASP A 80 1.754 -5.003 -5.142 1.00 0.00 H new ATOM 0 HA ASP A 80 1.596 -5.984 -7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.866 -4.913 -6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.168 -5.468 -7.660 1.00 0.00 H new ATOM 1230 N GLN A 81 3.227 -7.899 -5.602 1.00 0.00 N ATOM 1231 CA GLN A 81 3.832 -9.205 -5.404 1.00 0.00 C ATOM 1232 C GLN A 81 2.764 -10.299 -5.456 1.00 0.00 C ATOM 1233 O GLN A 81 2.998 -11.374 -6.007 1.00 0.00 O ATOM 1234 CB GLN A 81 4.606 -9.257 -4.085 1.00 0.00 C ATOM 1235 CG GLN A 81 3.705 -8.884 -2.906 1.00 0.00 C ATOM 1236 CD GLN A 81 4.376 -9.225 -1.574 1.00 0.00 C ATOM 1237 OE1 GLN A 81 5.568 -9.048 -1.387 1.00 0.00 O ATOM 1238 NE2 GLN A 81 3.546 -9.724 -0.662 1.00 0.00 N ATOM 0 H GLN A 81 3.081 -7.363 -4.747 1.00 0.00 H new ATOM 0 HA GLN A 81 4.543 -9.380 -6.212 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.011 -10.258 -3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.454 -8.574 -4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.477 -7.819 -2.940 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.757 -9.415 -2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.558 -9.846 -0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.898 -9.984 0.259 1.00 0.00 H new ATOM 1247 N GLU A 82 1.615 -9.988 -4.876 1.00 0.00 N ATOM 1248 CA GLU A 82 0.510 -10.931 -4.850 1.00 0.00 C ATOM 1249 C GLU A 82 -0.086 -11.090 -6.250 1.00 0.00 C ATOM 1250 O GLU A 82 -0.446 -12.195 -6.653 1.00 0.00 O ATOM 1251 CB GLU A 82 -0.559 -10.495 -3.846 1.00 0.00 C ATOM 1252 CG GLU A 82 -0.076 -10.697 -2.408 1.00 0.00 C ATOM 1253 CD GLU A 82 -0.618 -12.003 -1.825 1.00 0.00 C ATOM 1254 OE1 GLU A 82 -1.794 -11.991 -1.401 1.00 0.00 O ATOM 1255 OE2 GLU A 82 0.156 -12.985 -1.817 1.00 0.00 O ATOM 0 H GLU A 82 1.425 -9.096 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 82 0.892 -11.899 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.807 -9.446 -4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.472 -11.067 -4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.014 -10.709 -2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.398 -9.858 -1.791 1.00 0.00 H new ATOM 1262 N LYS A 83 -0.170 -9.971 -6.954 1.00 0.00 N ATOM 1263 CA LYS A 83 -0.716 -9.973 -8.300 1.00 0.00 C ATOM 1264 C LYS A 83 0.287 -10.629 -9.251 1.00 0.00 C ATOM 1265 O LYS A 83 -0.103 -11.337 -10.179 1.00 0.00 O ATOM 1266 CB LYS A 83 -1.122 -8.557 -8.716 1.00 0.00 C ATOM 1267 CG LYS A 83 0.035 -7.575 -8.520 1.00 0.00 C ATOM 1268 CD LYS A 83 0.417 -6.907 -9.842 1.00 0.00 C ATOM 1269 CE LYS A 83 1.859 -7.241 -10.230 1.00 0.00 C ATOM 1270 NZ LYS A 83 2.149 -6.772 -11.603 1.00 0.00 N ATOM 0 H LYS A 83 0.131 -9.056 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.629 -10.566 -8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.432 -8.556 -9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.981 -8.234 -8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.248 -6.814 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.898 -8.101 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.261 -7.237 -10.629 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.301 -5.827 -9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.548 -6.774 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.019 -8.317 -10.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.132 -7.007 -11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.503 -7.237 -12.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.016 -5.742 -11.653 1.00 0.00 H new ATOM 1284 N GLU A 84 1.560 -10.370 -8.988 1.00 0.00 N ATOM 1285 CA GLU A 84 2.622 -10.927 -9.809 1.00 0.00 C ATOM 1286 C GLU A 84 2.582 -12.456 -9.764 1.00 0.00 C ATOM 1287 O GLU A 84 3.217 -13.121 -10.581 1.00 0.00 O ATOM 1288 CB GLU A 84 3.989 -10.401 -9.368 1.00 0.00 C ATOM 1289 CG GLU A 84 4.437 -9.232 -10.248 1.00 0.00 C ATOM 1290 CD GLU A 84 5.932 -9.325 -10.563 1.00 0.00 C ATOM 1291 OE1 GLU A 84 6.378 -10.451 -10.870 1.00 0.00 O ATOM 1292 OE2 GLU A 84 6.594 -8.267 -10.490 1.00 0.00 O ATOM 0 H GLU A 84 1.880 -9.782 -8.218 1.00 0.00 H new ATOM 0 HA GLU A 84 2.462 -10.609 -10.839 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.941 -10.080 -8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.725 -11.203 -9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.865 -9.231 -11.176 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.226 -8.290 -9.742 1.00 0.00 H new ATOM 1299 N ASP A 85 1.829 -12.968 -8.801 1.00 0.00 N ATOM 1300 CA ASP A 85 1.698 -14.406 -8.639 1.00 0.00 C ATOM 1301 C ASP A 85 0.507 -14.901 -9.461 1.00 0.00 C ATOM 1302 O ASP A 85 -0.240 -15.772 -9.017 1.00 0.00 O ATOM 1303 CB ASP A 85 1.448 -14.774 -7.175 1.00 0.00 C ATOM 1304 CG ASP A 85 2.143 -16.052 -6.702 1.00 0.00 C ATOM 1305 OD1 ASP A 85 1.670 -17.137 -7.103 1.00 0.00 O ATOM 1306 OD2 ASP A 85 3.132 -15.915 -5.950 1.00 0.00 O ATOM 0 H ASP A 85 1.304 -12.413 -8.126 1.00 0.00 H new ATOM 0 HA ASP A 85 2.626 -14.869 -8.974 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.776 -13.946 -6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.374 -14.884 -7.022 1.00 0.00 H new ATOM 1311 N GLY A 86 0.366 -14.325 -10.646 1.00 0.00 N ATOM 1312 CA GLY A 86 -0.722 -14.697 -11.535 1.00 0.00 C ATOM 1313 C GLY A 86 -2.052 -14.749 -10.781 1.00 0.00 C ATOM 1314 O GLY A 86 -2.848 -15.665 -10.982 1.00 0.00 O ATOM 0 H GLY A 86 0.987 -13.603 -11.011 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.791 -13.979 -12.352 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.515 -15.669 -11.982 1.00 0.00 H new ATOM 1318 N LYS A 87 -2.252 -13.756 -9.928 1.00 0.00 N ATOM 1319 CA LYS A 87 -3.472 -13.677 -9.142 1.00 0.00 C ATOM 1320 C LYS A 87 -4.085 -12.284 -9.297 1.00 0.00 C ATOM 1321 O LYS A 87 -3.640 -11.495 -10.130 1.00 0.00 O ATOM 1322 CB LYS A 87 -3.201 -14.072 -7.689 1.00 0.00 C ATOM 1323 CG LYS A 87 -3.274 -15.590 -7.511 1.00 0.00 C ATOM 1324 CD LYS A 87 -3.657 -15.955 -6.075 1.00 0.00 C ATOM 1325 CE LYS A 87 -3.034 -17.290 -5.664 1.00 0.00 C ATOM 1326 NZ LYS A 87 -2.738 -17.300 -4.214 1.00 0.00 N ATOM 0 H LYS A 87 -1.589 -12.998 -9.763 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.208 -14.392 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.216 -13.714 -7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.928 -13.590 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.006 -16.006 -8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.311 -16.036 -7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.325 -15.170 -5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.742 -16.014 -5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.715 -18.106 -5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.118 -17.460 -6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.316 -18.214 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.071 -16.534 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.619 -17.160 -3.679 1.00 0.00 H new ATOM 1340 N SER A 88 -5.095 -12.022 -8.481 1.00 0.00 N ATOM 1341 CA SER A 88 -5.773 -10.737 -8.516 1.00 0.00 C ATOM 1342 C SER A 88 -4.755 -9.605 -8.368 1.00 0.00 C ATOM 1343 O SER A 88 -3.703 -9.787 -7.757 1.00 0.00 O ATOM 1344 CB SER A 88 -6.834 -10.644 -7.418 1.00 0.00 C ATOM 1345 OG SER A 88 -8.057 -10.097 -7.903 1.00 0.00 O ATOM 0 H SER A 88 -5.461 -12.678 -7.791 1.00 0.00 H new ATOM 0 HA SER A 88 -6.276 -10.641 -9.478 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.018 -11.637 -7.007 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.459 -10.026 -6.602 1.00 0.00 H new ATOM 0 HG SER A 88 -8.709 -10.056 -7.173 1.00 0.00 H new ATOM 1351 N GLY A 89 -5.104 -8.461 -8.938 1.00 0.00 N ATOM 1352 CA GLY A 89 -4.234 -7.298 -8.877 1.00 0.00 C ATOM 1353 C GLY A 89 -5.015 -6.013 -9.156 1.00 0.00 C ATOM 1354 O GLY A 89 -6.241 -6.037 -9.253 1.00 0.00 O ATOM 0 H GLY A 89 -5.977 -8.314 -9.444 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.769 -7.239 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.429 -7.403 -9.604 1.00 0.00 H new ATOM 1358 N PRO A 90 -4.254 -4.893 -9.279 1.00 0.00 N ATOM 1359 CA PRO A 90 -4.863 -3.600 -9.544 1.00 0.00 C ATOM 1360 C PRO A 90 -5.314 -3.495 -11.002 1.00 0.00 C ATOM 1361 O PRO A 90 -4.486 -3.415 -11.908 1.00 0.00 O ATOM 1362 CB PRO A 90 -3.796 -2.581 -9.178 1.00 0.00 C ATOM 1363 CG PRO A 90 -2.480 -3.341 -9.165 1.00 0.00 C ATOM 1364 CD PRO A 90 -2.800 -4.827 -9.169 1.00 0.00 C ATOM 0 HA PRO A 90 -5.770 -3.435 -8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.769 -1.766 -9.902 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.999 -2.135 -8.204 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.879 -3.078 -10.035 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.896 -3.079 -8.283 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.316 -5.334 -10.004 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -2.450 -5.310 -8.257 1.00 0.00 H new ATOM 1372 N SER A 91 -6.626 -3.500 -11.184 1.00 0.00 N ATOM 1373 CA SER A 91 -7.198 -3.407 -12.517 1.00 0.00 C ATOM 1374 C SER A 91 -6.427 -4.311 -13.481 1.00 0.00 C ATOM 1375 O SER A 91 -5.501 -3.859 -14.154 1.00 0.00 O ATOM 1376 CB SER A 91 -7.188 -1.962 -13.020 1.00 0.00 C ATOM 1377 OG SER A 91 -8.249 -1.194 -12.459 1.00 0.00 O ATOM 0 H SER A 91 -7.310 -3.567 -10.430 1.00 0.00 H new ATOM 0 HA SER A 91 -8.235 -3.739 -12.469 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.234 -1.498 -12.771 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.271 -1.956 -14.107 1.00 0.00 H new ATOM 0 HG SER A 91 -8.207 -0.277 -12.803 1.00 0.00 H new ATOM 1383 N SER A 92 -6.837 -5.570 -13.518 1.00 0.00 N ATOM 1384 CA SER A 92 -6.196 -6.541 -14.388 1.00 0.00 C ATOM 1385 C SER A 92 -4.678 -6.362 -14.343 1.00 0.00 C ATOM 1386 O SER A 92 -4.095 -5.738 -15.228 1.00 0.00 O ATOM 1387 CB SER A 92 -6.703 -6.410 -15.826 1.00 0.00 C ATOM 1388 OG SER A 92 -5.960 -7.222 -16.730 1.00 0.00 O ATOM 0 H SER A 92 -7.606 -5.940 -12.959 1.00 0.00 H new ATOM 0 HA SER A 92 -6.448 -7.539 -14.031 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.755 -6.692 -15.866 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.640 -5.368 -16.139 1.00 0.00 H new ATOM 0 HG SER A 92 -6.315 -7.111 -17.637 1.00 0.00 H new ATOM 1394 N GLY A 93 -4.079 -6.923 -13.302 1.00 0.00 N ATOM 1395 CA GLY A 93 -2.639 -6.834 -13.129 1.00 0.00 C ATOM 1396 C GLY A 93 -2.216 -5.405 -12.781 1.00 0.00 C ATOM 1397 O GLY A 93 -1.253 -4.885 -13.343 1.00 0.00 O ATOM 0 H GLY A 93 -4.565 -7.441 -12.570 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.321 -7.514 -12.338 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.139 -7.153 -14.044 1.00 0.00 H new TER 1401 GLY A 93