USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 709 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 Single : A 1 GLY N :NH3+ 134:sc= 0.0665 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 1.19 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 11 THR OG1 : rot 44:sc= 0.114 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 20 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.29) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 24 SER OG : rot 78:sc= 0.458 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -93:sc= 0.855 USER MOD Single : A 29 GLN : amide:sc= 0.208 X(o=0.21,f=-0.031) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.083) USER MOD Single : A 34 THR OG1 : rot 87:sc= 0.00204 USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0152) USER MOD Single : A 37 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.562 K(o=0.56,f=-0.34) USER MOD Single : A 46 TYR OH : rot 180:sc= 0.309 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0906 K(o=-0.091,f=-7.9!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 2.18 (180deg=2.13) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 178:sc= 1.06 (180deg=1.06) USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= -0.0179 (180deg=-0.207) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0638 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.556 -14.880 1.696 1.00 0.00 N ATOM 2 CA GLY A 1 -16.612 -15.924 0.667 1.00 0.00 C ATOM 3 C GLY A 1 -17.221 -15.389 -0.602 1.00 0.00 C ATOM 4 O GLY A 1 -18.097 -14.529 -0.519 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.898 -15.265 2.600 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.574 -14.555 1.808 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.156 -14.079 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.608 -16.297 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.198 -16.768 1.030 1.00 0.00 H new ATOM 8 N SER A 2 -16.773 -15.861 -1.765 1.00 0.00 N ATOM 9 CA SER A 2 -17.345 -15.569 -3.074 1.00 0.00 C ATOM 10 C SER A 2 -16.770 -16.556 -4.097 1.00 0.00 C ATOM 11 O SER A 2 -15.769 -17.223 -3.828 1.00 0.00 O ATOM 12 CB SER A 2 -16.996 -14.124 -3.464 1.00 0.00 C ATOM 13 OG SER A 2 -17.832 -13.200 -2.791 1.00 0.00 O ATOM 0 H SER A 2 -15.967 -16.484 -1.820 1.00 0.00 H new ATOM 0 HA SER A 2 -18.430 -15.674 -3.049 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.953 -13.920 -3.221 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.103 -13.999 -4.541 1.00 0.00 H new ATOM 0 HG SER A 2 -18.185 -13.612 -1.975 1.00 0.00 H new ATOM 19 N SER A 3 -17.375 -16.595 -5.285 1.00 0.00 N ATOM 20 CA SER A 3 -16.789 -17.180 -6.488 1.00 0.00 C ATOM 21 C SER A 3 -17.039 -16.230 -7.657 1.00 0.00 C ATOM 22 O SER A 3 -16.114 -15.836 -8.365 1.00 0.00 O ATOM 23 CB SER A 3 -17.396 -18.554 -6.818 1.00 0.00 C ATOM 24 OG SER A 3 -17.471 -19.428 -5.710 1.00 0.00 O ATOM 0 H SER A 3 -18.307 -16.211 -5.439 1.00 0.00 H new ATOM 0 HA SER A 3 -15.723 -17.324 -6.314 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.398 -18.410 -7.223 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.801 -19.025 -7.600 1.00 0.00 H new ATOM 0 HG SER A 3 -17.867 -20.279 -5.991 1.00 0.00 H new ATOM 30 N GLY A 4 -18.306 -15.857 -7.853 1.00 0.00 N ATOM 31 CA GLY A 4 -18.774 -15.222 -9.068 1.00 0.00 C ATOM 32 C GLY A 4 -18.729 -16.198 -10.241 1.00 0.00 C ATOM 33 O GLY A 4 -18.188 -17.305 -10.147 1.00 0.00 O ATOM 0 H GLY A 4 -19.039 -15.993 -7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.793 -14.863 -8.927 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.157 -14.351 -9.290 1.00 0.00 H new ATOM 37 N SER A 5 -19.322 -15.788 -11.354 1.00 0.00 N ATOM 38 CA SER A 5 -19.244 -16.465 -12.635 1.00 0.00 C ATOM 39 C SER A 5 -19.493 -15.416 -13.715 1.00 0.00 C ATOM 40 O SER A 5 -20.552 -14.783 -13.712 1.00 0.00 O ATOM 41 CB SER A 5 -20.225 -17.644 -12.699 1.00 0.00 C ATOM 42 OG SER A 5 -21.379 -17.468 -11.888 1.00 0.00 O ATOM 0 H SER A 5 -19.891 -14.942 -11.387 1.00 0.00 H new ATOM 0 HA SER A 5 -18.260 -16.909 -12.788 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.537 -17.791 -13.733 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.709 -18.553 -12.390 1.00 0.00 H new ATOM 0 HG SER A 5 -21.962 -18.251 -11.975 1.00 0.00 H new ATOM 48 N SER A 6 -18.517 -15.206 -14.601 1.00 0.00 N ATOM 49 CA SER A 6 -18.523 -14.201 -15.663 1.00 0.00 C ATOM 50 C SER A 6 -18.939 -12.796 -15.173 1.00 0.00 C ATOM 51 O SER A 6 -18.850 -12.479 -13.978 1.00 0.00 O ATOM 52 CB SER A 6 -19.360 -14.698 -16.851 1.00 0.00 C ATOM 53 OG SER A 6 -19.019 -16.011 -17.260 1.00 0.00 O ATOM 0 H SER A 6 -17.660 -15.760 -14.596 1.00 0.00 H new ATOM 0 HA SER A 6 -17.496 -14.072 -16.005 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.416 -14.671 -16.581 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.228 -14.016 -17.691 1.00 0.00 H new ATOM 0 HG SER A 6 -19.583 -16.275 -18.016 1.00 0.00 H new ATOM 59 N GLY A 7 -19.357 -11.925 -16.092 1.00 0.00 N ATOM 60 CA GLY A 7 -19.745 -10.549 -15.858 1.00 0.00 C ATOM 61 C GLY A 7 -18.521 -9.651 -15.924 1.00 0.00 C ATOM 62 O GLY A 7 -17.514 -9.904 -15.256 1.00 0.00 O ATOM 0 H GLY A 7 -19.436 -12.185 -17.075 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.477 -10.236 -16.602 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.223 -10.457 -14.883 1.00 0.00 H new ATOM 66 N ASP A 8 -18.617 -8.580 -16.700 1.00 0.00 N ATOM 67 CA ASP A 8 -17.497 -7.750 -17.121 1.00 0.00 C ATOM 68 C ASP A 8 -16.759 -7.092 -15.947 1.00 0.00 C ATOM 69 O ASP A 8 -17.375 -6.345 -15.175 1.00 0.00 O ATOM 70 CB ASP A 8 -18.031 -6.690 -18.085 1.00 0.00 C ATOM 71 CG ASP A 8 -16.893 -5.890 -18.694 1.00 0.00 C ATOM 72 OD1 ASP A 8 -15.787 -6.438 -18.877 1.00 0.00 O ATOM 73 OD2 ASP A 8 -17.120 -4.729 -19.089 1.00 0.00 O ATOM 0 H ASP A 8 -19.511 -8.253 -17.067 1.00 0.00 H new ATOM 0 HA ASP A 8 -16.761 -8.388 -17.610 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -18.608 -7.169 -18.876 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -18.710 -6.021 -17.556 1.00 0.00 H new ATOM 78 N ARG A 9 -15.463 -7.374 -15.770 1.00 0.00 N ATOM 79 CA ARG A 9 -14.621 -6.796 -14.711 1.00 0.00 C ATOM 80 C ARG A 9 -13.795 -5.627 -15.249 1.00 0.00 C ATOM 81 O ARG A 9 -13.868 -5.312 -16.439 1.00 0.00 O ATOM 82 CB ARG A 9 -13.729 -7.891 -14.086 1.00 0.00 C ATOM 83 CG ARG A 9 -14.494 -8.732 -13.045 1.00 0.00 C ATOM 84 CD ARG A 9 -14.760 -10.157 -13.528 1.00 0.00 C ATOM 85 NE ARG A 9 -13.586 -11.027 -13.326 1.00 0.00 N ATOM 86 CZ ARG A 9 -13.525 -12.137 -12.580 1.00 0.00 C ATOM 87 NH1 ARG A 9 -14.597 -12.594 -11.947 1.00 0.00 N ATOM 88 NH2 ARG A 9 -12.380 -12.795 -12.450 1.00 0.00 N ATOM 0 H ARG A 9 -14.957 -8.025 -16.371 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.264 -6.399 -13.925 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.351 -8.544 -14.873 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.863 -7.428 -13.613 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.921 -8.767 -12.118 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.442 -8.246 -12.816 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.615 -10.569 -12.993 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.023 -10.140 -14.586 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.729 -10.754 -13.806 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.485 -12.098 -12.025 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.533 -13.441 -11.383 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.541 -12.456 -12.920 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.339 -13.640 -11.880 1.00 0.00 H new ATOM 102 N VAL A 10 -13.064 -4.954 -14.365 1.00 0.00 N ATOM 103 CA VAL A 10 -12.283 -3.759 -14.647 1.00 0.00 C ATOM 104 C VAL A 10 -11.017 -3.794 -13.782 1.00 0.00 C ATOM 105 O VAL A 10 -11.011 -4.388 -12.698 1.00 0.00 O ATOM 106 CB VAL A 10 -13.180 -2.524 -14.383 1.00 0.00 C ATOM 107 CG1 VAL A 10 -13.602 -2.402 -12.907 1.00 0.00 C ATOM 108 CG2 VAL A 10 -12.546 -1.207 -14.852 1.00 0.00 C ATOM 0 H VAL A 10 -12.999 -5.242 -13.389 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.958 -3.707 -15.686 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.073 -2.698 -14.983 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.229 -1.519 -12.780 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.162 -3.290 -12.614 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.714 -2.310 -12.281 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.224 -0.381 -14.639 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.604 -1.049 -14.326 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.359 -1.255 -15.925 1.00 0.00 H new ATOM 118 N THR A 11 -9.956 -3.107 -14.207 1.00 0.00 N ATOM 119 CA THR A 11 -8.816 -2.825 -13.347 1.00 0.00 C ATOM 120 C THR A 11 -9.114 -1.557 -12.543 1.00 0.00 C ATOM 121 O THR A 11 -8.673 -0.446 -12.855 1.00 0.00 O ATOM 122 CB THR A 11 -7.495 -2.797 -14.114 1.00 0.00 C ATOM 123 OG1 THR A 11 -7.449 -1.834 -15.151 1.00 0.00 O ATOM 124 CG2 THR A 11 -7.156 -4.156 -14.730 1.00 0.00 C ATOM 0 H THR A 11 -9.867 -2.734 -15.152 1.00 0.00 H new ATOM 0 HA THR A 11 -8.675 -3.641 -12.638 1.00 0.00 H new ATOM 0 HB THR A 11 -6.762 -2.525 -13.354 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.829 -0.990 -14.830 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.209 -4.087 -15.265 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.073 -4.903 -13.940 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.944 -4.448 -15.424 1.00 0.00 H new ATOM 132 N LEU A 12 -9.912 -1.743 -11.501 1.00 0.00 N ATOM 133 CA LEU A 12 -10.337 -0.723 -10.557 1.00 0.00 C ATOM 134 C LEU A 12 -9.089 -0.039 -10.012 1.00 0.00 C ATOM 135 O LEU A 12 -8.164 -0.731 -9.583 1.00 0.00 O ATOM 136 CB LEU A 12 -11.170 -1.412 -9.469 1.00 0.00 C ATOM 137 CG LEU A 12 -11.209 -0.672 -8.125 1.00 0.00 C ATOM 138 CD1 LEU A 12 -12.009 0.630 -8.152 1.00 0.00 C ATOM 139 CD2 LEU A 12 -11.831 -1.613 -7.117 1.00 0.00 C ATOM 0 H LEU A 12 -10.301 -2.660 -11.281 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.959 0.046 -11.014 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.191 -1.530 -9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.772 -2.413 -9.305 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.188 -0.389 -7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.987 1.091 -7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.570 1.312 -8.880 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.041 0.417 -8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.878 -1.124 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.838 -1.877 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.226 -2.516 -7.041 1.00 0.00 H new ATOM 151 N GLU A 13 -9.083 1.290 -10.022 1.00 0.00 N ATOM 152 CA GLU A 13 -7.921 2.146 -9.788 1.00 0.00 C ATOM 153 C GLU A 13 -7.233 1.861 -8.454 1.00 0.00 C ATOM 154 O GLU A 13 -6.013 1.715 -8.433 1.00 0.00 O ATOM 155 CB GLU A 13 -8.352 3.615 -9.859 1.00 0.00 C ATOM 156 CG GLU A 13 -8.496 4.090 -11.309 1.00 0.00 C ATOM 157 CD GLU A 13 -9.154 5.468 -11.452 1.00 0.00 C ATOM 158 OE1 GLU A 13 -9.245 6.225 -10.453 1.00 0.00 O ATOM 159 OE2 GLU A 13 -9.566 5.779 -12.593 1.00 0.00 O ATOM 0 H GLU A 13 -9.930 1.828 -10.202 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.190 1.928 -10.567 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.301 3.742 -9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.619 4.235 -9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.509 4.121 -11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.084 3.359 -11.863 1.00 0.00 H new ATOM 166 N VAL A 14 -7.987 1.766 -7.354 1.00 0.00 N ATOM 167 CA VAL A 14 -7.430 1.419 -6.046 1.00 0.00 C ATOM 168 C VAL A 14 -6.732 0.065 -6.137 1.00 0.00 C ATOM 169 O VAL A 14 -5.555 -0.026 -5.797 1.00 0.00 O ATOM 170 CB VAL A 14 -8.533 1.523 -4.974 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.241 0.810 -3.652 1.00 0.00 C ATOM 172 CG2 VAL A 14 -8.716 2.996 -4.605 1.00 0.00 C ATOM 0 H VAL A 14 -8.994 1.927 -7.346 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.658 2.123 -5.734 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.403 1.048 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.081 0.947 -2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.094 -0.254 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.339 1.228 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.494 3.087 -3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.779 3.392 -4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.006 3.560 -5.492 1.00 0.00 H new ATOM 182 N GLY A 15 -7.403 -0.960 -6.664 1.00 0.00 N ATOM 183 CA GLY A 15 -6.793 -2.259 -6.875 1.00 0.00 C ATOM 184 C GLY A 15 -5.568 -2.199 -7.781 1.00 0.00 C ATOM 185 O GLY A 15 -4.613 -2.926 -7.531 1.00 0.00 O ATOM 0 H GLY A 15 -8.380 -0.907 -6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.506 -2.681 -5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.529 -2.934 -7.312 1.00 0.00 H new ATOM 189 N LYS A 16 -5.563 -1.345 -8.809 1.00 0.00 N ATOM 190 CA LYS A 16 -4.417 -1.162 -9.687 1.00 0.00 C ATOM 191 C LYS A 16 -3.247 -0.615 -8.878 1.00 0.00 C ATOM 192 O LYS A 16 -2.189 -1.236 -8.889 1.00 0.00 O ATOM 193 CB LYS A 16 -4.778 -0.263 -10.886 1.00 0.00 C ATOM 194 CG LYS A 16 -3.661 -0.179 -11.941 1.00 0.00 C ATOM 195 CD LYS A 16 -3.553 -1.452 -12.786 1.00 0.00 C ATOM 196 CE LYS A 16 -2.401 -1.347 -13.793 1.00 0.00 C ATOM 197 NZ LYS A 16 -2.422 -2.462 -14.759 1.00 0.00 N ATOM 0 H LYS A 16 -6.362 -0.760 -9.052 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.118 -2.123 -10.106 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.685 -0.643 -11.356 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.003 0.740 -10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.848 0.672 -12.595 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.709 0.004 -11.443 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.395 -2.312 -12.136 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.490 -1.621 -13.316 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.470 -0.400 -14.328 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.450 -1.344 -13.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.630 -2.359 -15.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.332 -3.364 -14.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.319 -2.449 -15.284 1.00 0.00 H new ATOM 211 N VAL A 17 -3.404 0.515 -8.183 1.00 0.00 N ATOM 212 CA VAL A 17 -2.309 1.114 -7.421 1.00 0.00 C ATOM 213 C VAL A 17 -1.874 0.187 -6.287 1.00 0.00 C ATOM 214 O VAL A 17 -0.681 0.117 -6.003 1.00 0.00 O ATOM 215 CB VAL A 17 -2.669 2.531 -6.931 1.00 0.00 C ATOM 216 CG1 VAL A 17 -1.549 3.161 -6.095 1.00 0.00 C ATOM 217 CG2 VAL A 17 -2.907 3.439 -8.147 1.00 0.00 C ATOM 0 H VAL A 17 -4.281 1.033 -8.133 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.452 1.234 -8.083 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.560 2.440 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.851 4.158 -5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.356 2.541 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.643 3.233 -6.696 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.162 4.443 -7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.002 3.480 -8.753 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.726 3.039 -8.745 1.00 0.00 H new ATOM 227 N ILE A 18 -2.793 -0.559 -5.668 1.00 0.00 N ATOM 228 CA ILE A 18 -2.436 -1.589 -4.705 1.00 0.00 C ATOM 229 C ILE A 18 -1.539 -2.606 -5.403 1.00 0.00 C ATOM 230 O ILE A 18 -0.408 -2.793 -4.966 1.00 0.00 O ATOM 231 CB ILE A 18 -3.689 -2.221 -4.059 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.348 -1.236 -3.075 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.293 -3.471 -3.260 1.00 0.00 C ATOM 234 CD1 ILE A 18 -5.844 -1.461 -2.857 1.00 0.00 C ATOM 0 H ILE A 18 -3.797 -0.463 -5.823 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.881 -1.153 -3.874 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.383 -2.475 -4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.839 -1.308 -2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.196 -0.221 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.182 -3.911 -2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.828 -4.197 -3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.587 -3.194 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.224 -0.723 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.370 -1.358 -3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.007 -2.462 -2.458 1.00 0.00 H new ATOM 246 N GLN A 19 -2.011 -3.256 -6.470 1.00 0.00 N ATOM 247 CA GLN A 19 -1.290 -4.320 -7.142 1.00 0.00 C ATOM 248 C GLN A 19 0.097 -3.833 -7.603 1.00 0.00 C ATOM 249 O GLN A 19 1.082 -4.557 -7.475 1.00 0.00 O ATOM 250 CB GLN A 19 -2.132 -4.828 -8.321 1.00 0.00 C ATOM 251 CG GLN A 19 -1.544 -6.107 -8.925 1.00 0.00 C ATOM 252 CD GLN A 19 -2.348 -6.640 -10.111 1.00 0.00 C ATOM 253 OE1 GLN A 19 -3.455 -6.195 -10.398 1.00 0.00 O ATOM 254 NE2 GLN A 19 -1.795 -7.605 -10.825 1.00 0.00 N ATOM 0 H GLN A 19 -2.917 -3.049 -6.890 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.123 -5.145 -6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.151 -5.019 -7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.188 -4.055 -9.088 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.521 -5.912 -9.247 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.494 -6.876 -8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.874 -7.963 -10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.289 -7.992 -11.629 1.00 0.00 H new ATOM 263 N GLN A 20 0.174 -2.607 -8.131 1.00 0.00 N ATOM 264 CA GLN A 20 1.382 -1.930 -8.563 1.00 0.00 C ATOM 265 C GLN A 20 2.328 -1.704 -7.386 1.00 0.00 C ATOM 266 O GLN A 20 3.470 -2.150 -7.427 1.00 0.00 O ATOM 267 CB GLN A 20 0.987 -0.602 -9.219 1.00 0.00 C ATOM 268 CG GLN A 20 0.479 -0.789 -10.654 1.00 0.00 C ATOM 269 CD GLN A 20 1.554 -1.323 -11.591 1.00 0.00 C ATOM 270 OE1 GLN A 20 1.584 -2.520 -11.867 1.00 0.00 O ATOM 271 NE2 GLN A 20 2.448 -0.482 -12.080 1.00 0.00 N ATOM 0 H GLN A 20 -0.659 -2.035 -8.273 1.00 0.00 H new ATOM 0 HA GLN A 20 1.914 -2.548 -9.286 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.213 -0.121 -8.622 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.847 0.068 -9.225 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.367 -1.476 -10.649 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.113 0.165 -11.033 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.404 0.508 -11.837 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.183 -0.822 -12.700 1.00 0.00 H new ATOM 280 N GLY A 21 1.875 -1.022 -6.337 1.00 0.00 N ATOM 281 CA GLY A 21 2.709 -0.670 -5.201 1.00 0.00 C ATOM 282 C GLY A 21 3.168 -1.900 -4.427 1.00 0.00 C ATOM 283 O GLY A 21 4.290 -1.923 -3.918 1.00 0.00 O ATOM 0 H GLY A 21 0.911 -0.698 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.580 -0.115 -5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.154 -0.009 -4.535 1.00 0.00 H new ATOM 287 N ARG A 22 2.337 -2.949 -4.379 1.00 0.00 N ATOM 288 CA ARG A 22 2.740 -4.268 -3.933 1.00 0.00 C ATOM 289 C ARG A 22 3.958 -4.707 -4.727 1.00 0.00 C ATOM 290 O ARG A 22 5.016 -4.906 -4.135 1.00 0.00 O ATOM 291 CB ARG A 22 1.592 -5.275 -4.130 1.00 0.00 C ATOM 292 CG ARG A 22 0.566 -5.224 -3.010 1.00 0.00 C ATOM 293 CD ARG A 22 -0.292 -6.485 -2.854 1.00 0.00 C ATOM 294 NE ARG A 22 -1.094 -6.856 -4.037 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.777 -7.780 -4.960 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.449 -8.286 -5.037 1.00 0.00 N ATOM 297 NH2 ARG A 22 -1.701 -8.236 -5.793 1.00 0.00 N ATOM 0 H ARG A 22 1.356 -2.894 -4.654 1.00 0.00 H new ATOM 0 HA ARG A 22 2.985 -4.231 -2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.097 -5.073 -5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.005 -6.282 -4.193 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.086 -5.039 -2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.094 -4.374 -3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.362 -7.320 -2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.966 -6.343 -2.009 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.977 -6.362 -4.167 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.171 -7.974 -4.388 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.668 -8.986 -5.745 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.657 -7.886 -5.735 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.456 -8.937 -6.492 1.00 0.00 H new ATOM 311 N GLN A 23 3.818 -4.826 -6.046 1.00 0.00 N ATOM 312 CA GLN A 23 4.872 -5.243 -6.956 1.00 0.00 C ATOM 313 C GLN A 23 6.157 -4.439 -6.740 1.00 0.00 C ATOM 314 O GLN A 23 7.242 -5.008 -6.629 1.00 0.00 O ATOM 315 CB GLN A 23 4.353 -5.091 -8.395 1.00 0.00 C ATOM 316 CG GLN A 23 4.073 -6.446 -9.037 1.00 0.00 C ATOM 317 CD GLN A 23 3.732 -6.304 -10.517 1.00 0.00 C ATOM 318 OE1 GLN A 23 4.468 -5.699 -11.294 1.00 0.00 O ATOM 319 NE2 GLN A 23 2.629 -6.860 -10.981 1.00 0.00 N ATOM 0 H GLN A 23 2.938 -4.627 -6.522 1.00 0.00 H new ATOM 0 HA GLN A 23 5.128 -6.285 -6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.441 -4.494 -8.392 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.087 -4.550 -8.992 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.945 -7.090 -8.924 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.247 -6.932 -8.517 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.008 -7.365 -10.349 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.397 -6.784 -11.971 1.00 0.00 H new ATOM 328 N SER A 24 6.038 -3.118 -6.635 1.00 0.00 N ATOM 329 CA SER A 24 7.162 -2.196 -6.509 1.00 0.00 C ATOM 330 C SER A 24 7.866 -2.273 -5.142 1.00 0.00 C ATOM 331 O SER A 24 8.942 -1.693 -4.967 1.00 0.00 O ATOM 332 CB SER A 24 6.679 -0.786 -6.856 1.00 0.00 C ATOM 333 OG SER A 24 6.052 -0.818 -8.134 1.00 0.00 O ATOM 0 H SER A 24 5.133 -2.647 -6.635 1.00 0.00 H new ATOM 0 HA SER A 24 7.936 -2.491 -7.217 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.978 -0.430 -6.101 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.518 -0.091 -6.865 1.00 0.00 H new ATOM 0 HG SER A 24 5.153 -1.198 -8.048 1.00 0.00 H new ATOM 339 N LYS A 25 7.322 -3.036 -4.190 1.00 0.00 N ATOM 340 CA LYS A 25 7.963 -3.429 -2.935 1.00 0.00 C ATOM 341 C LYS A 25 8.079 -4.957 -2.815 1.00 0.00 C ATOM 342 O LYS A 25 8.463 -5.462 -1.762 1.00 0.00 O ATOM 343 CB LYS A 25 7.242 -2.744 -1.764 1.00 0.00 C ATOM 344 CG LYS A 25 7.529 -1.231 -1.724 1.00 0.00 C ATOM 345 CD LYS A 25 6.842 -0.504 -0.560 1.00 0.00 C ATOM 346 CE LYS A 25 7.132 -1.093 0.828 1.00 0.00 C ATOM 347 NZ LYS A 25 8.555 -1.071 1.227 1.00 0.00 N ATOM 0 H LYS A 25 6.379 -3.413 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 25 8.996 -3.082 -2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.168 -2.908 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.558 -3.199 -0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.606 -1.076 -1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.204 -0.783 -2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.153 0.541 -0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.765 -0.517 -0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.553 -0.542 1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.779 -2.124 0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.656 -1.487 2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.115 -1.622 0.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.896 -0.089 1.242 1.00 0.00 H new ATOM 361 N GLY A 26 7.764 -5.713 -3.872 1.00 0.00 N ATOM 362 CA GLY A 26 7.753 -7.172 -3.878 1.00 0.00 C ATOM 363 C GLY A 26 6.775 -7.767 -2.863 1.00 0.00 C ATOM 364 O GLY A 26 6.946 -8.915 -2.456 1.00 0.00 O ATOM 0 H GLY A 26 7.502 -5.310 -4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.491 -7.524 -4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.757 -7.538 -3.664 1.00 0.00 H new ATOM 368 N LEU A 27 5.791 -6.999 -2.392 1.00 0.00 N ATOM 369 CA LEU A 27 4.927 -7.412 -1.292 1.00 0.00 C ATOM 370 C LEU A 27 3.807 -8.259 -1.852 1.00 0.00 C ATOM 371 O LEU A 27 3.154 -7.877 -2.821 1.00 0.00 O ATOM 372 CB LEU A 27 4.340 -6.207 -0.542 1.00 0.00 C ATOM 373 CG LEU A 27 5.422 -5.277 0.027 1.00 0.00 C ATOM 374 CD1 LEU A 27 4.782 -4.035 0.651 1.00 0.00 C ATOM 375 CD2 LEU A 27 6.315 -5.993 1.039 1.00 0.00 C ATOM 0 H LEU A 27 5.573 -6.075 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 27 5.522 -7.981 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.699 -5.641 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.709 -6.563 0.272 1.00 0.00 H new ATOM 0 HG LEU A 27 6.059 -4.966 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.561 -3.386 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.215 -3.497 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.113 -4.336 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.066 -5.299 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.707 -6.356 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.810 -6.836 0.556 1.00 0.00 H new ATOM 387 N THR A 28 3.554 -9.402 -1.239 1.00 0.00 N ATOM 388 CA THR A 28 2.395 -10.204 -1.566 1.00 0.00 C ATOM 389 C THR A 28 1.148 -9.549 -0.950 1.00 0.00 C ATOM 390 O THR A 28 1.236 -8.558 -0.218 1.00 0.00 O ATOM 391 CB THR A 28 2.637 -11.639 -1.080 1.00 0.00 C ATOM 392 OG1 THR A 28 2.377 -11.720 0.304 1.00 0.00 O ATOM 393 CG2 THR A 28 4.060 -12.138 -1.382 1.00 0.00 C ATOM 0 H THR A 28 4.144 -9.796 -0.506 1.00 0.00 H new ATOM 0 HA THR A 28 2.227 -10.255 -2.642 1.00 0.00 H new ATOM 0 HB THR A 28 1.954 -12.287 -1.628 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.210 -11.583 0.802 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.173 -13.158 -1.016 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.232 -12.118 -2.458 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.785 -11.492 -0.886 1.00 0.00 H new ATOM 401 N GLN A 29 -0.029 -10.113 -1.207 1.00 0.00 N ATOM 402 CA GLN A 29 -1.267 -9.690 -0.565 1.00 0.00 C ATOM 403 C GLN A 29 -1.251 -10.039 0.927 1.00 0.00 C ATOM 404 O GLN A 29 -1.714 -9.244 1.741 1.00 0.00 O ATOM 405 CB GLN A 29 -2.446 -10.343 -1.295 1.00 0.00 C ATOM 406 CG GLN A 29 -2.559 -9.763 -2.714 1.00 0.00 C ATOM 407 CD GLN A 29 -3.296 -10.679 -3.667 1.00 0.00 C ATOM 408 OE1 GLN A 29 -2.863 -11.811 -3.903 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.349 -10.183 -4.279 1.00 0.00 N ATOM 0 H GLN A 29 -0.150 -10.879 -1.869 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.371 -8.607 -0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.304 -11.423 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.370 -10.167 -0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.074 -8.803 -2.669 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.559 -9.570 -3.103 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.674 -9.243 -4.054 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.841 -10.739 -4.979 1.00 0.00 H new ATOM 418 N LYS A 30 -0.688 -11.191 1.305 1.00 0.00 N ATOM 419 CA LYS A 30 -0.506 -11.569 2.705 1.00 0.00 C ATOM 420 C LYS A 30 0.433 -10.600 3.411 1.00 0.00 C ATOM 421 O LYS A 30 0.207 -10.263 4.573 1.00 0.00 O ATOM 422 CB LYS A 30 -0.006 -13.027 2.792 1.00 0.00 C ATOM 423 CG LYS A 30 -0.785 -13.903 3.783 1.00 0.00 C ATOM 424 CD LYS A 30 -0.636 -13.407 5.230 1.00 0.00 C ATOM 425 CE LYS A 30 -1.242 -14.358 6.266 1.00 0.00 C ATOM 426 NZ LYS A 30 -0.557 -15.663 6.317 1.00 0.00 N ATOM 0 H LYS A 30 -0.345 -11.888 0.644 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.465 -11.511 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.065 -13.479 1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.046 -13.022 3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.840 -13.910 3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.431 -14.932 3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.422 -13.268 5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.112 -12.431 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.198 -13.891 7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.296 -14.515 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.918 -16.213 7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.735 -16.183 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.466 -15.514 6.430 1.00 0.00 H new ATOM 440 N ASP A 31 1.483 -10.166 2.723 1.00 0.00 N ATOM 441 CA ASP A 31 2.423 -9.205 3.274 1.00 0.00 C ATOM 442 C ASP A 31 1.737 -7.855 3.447 1.00 0.00 C ATOM 443 O ASP A 31 1.901 -7.224 4.494 1.00 0.00 O ATOM 444 CB ASP A 31 3.681 -9.133 2.400 1.00 0.00 C ATOM 445 CG ASP A 31 4.629 -10.256 2.809 1.00 0.00 C ATOM 446 OD1 ASP A 31 5.252 -10.118 3.883 1.00 0.00 O ATOM 447 OD2 ASP A 31 4.716 -11.294 2.118 1.00 0.00 O ATOM 0 H ASP A 31 1.703 -10.470 1.774 1.00 0.00 H new ATOM 0 HA ASP A 31 2.750 -9.526 4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.415 -9.228 1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.168 -8.165 2.519 1.00 0.00 H new ATOM 452 N LEU A 32 0.929 -7.422 2.470 1.00 0.00 N ATOM 453 CA LEU A 32 0.153 -6.184 2.546 1.00 0.00 C ATOM 454 C LEU A 32 -0.771 -6.218 3.761 1.00 0.00 C ATOM 455 O LEU A 32 -0.743 -5.299 4.576 1.00 0.00 O ATOM 456 CB LEU A 32 -0.659 -5.965 1.254 1.00 0.00 C ATOM 457 CG LEU A 32 -0.822 -4.493 0.830 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.472 -3.578 1.875 1.00 0.00 C ATOM 459 CD2 LEU A 32 0.531 -3.903 0.420 1.00 0.00 C ATOM 0 H LEU A 32 0.797 -7.930 1.596 1.00 0.00 H new ATOM 0 HA LEU A 32 0.845 -5.349 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.177 -6.510 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.649 -6.401 1.386 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.513 -4.525 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.541 -2.565 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.472 -3.945 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.867 -3.573 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.399 -2.863 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.221 -3.955 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.937 -4.471 -0.417 1.00 0.00 H new ATOM 471 N ALA A 33 -1.541 -7.304 3.906 1.00 0.00 N ATOM 472 CA ALA A 33 -2.455 -7.545 5.014 1.00 0.00 C ATOM 473 C ALA A 33 -1.747 -7.286 6.339 1.00 0.00 C ATOM 474 O ALA A 33 -2.218 -6.502 7.156 1.00 0.00 O ATOM 475 CB ALA A 33 -2.983 -8.982 4.939 1.00 0.00 C ATOM 0 H ALA A 33 -1.539 -8.064 3.225 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.302 -6.863 4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.667 -9.162 5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.510 -9.127 3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.148 -9.680 4.999 1.00 0.00 H new ATOM 481 N THR A 34 -0.601 -7.920 6.556 1.00 0.00 N ATOM 482 CA THR A 34 0.196 -7.753 7.759 1.00 0.00 C ATOM 483 C THR A 34 0.711 -6.310 7.912 1.00 0.00 C ATOM 484 O THR A 34 0.621 -5.754 9.010 1.00 0.00 O ATOM 485 CB THR A 34 1.280 -8.832 7.694 1.00 0.00 C ATOM 486 OG1 THR A 34 0.622 -10.083 7.829 1.00 0.00 O ATOM 487 CG2 THR A 34 2.345 -8.727 8.783 1.00 0.00 C ATOM 0 H THR A 34 -0.195 -8.575 5.888 1.00 0.00 H new ATOM 0 HA THR A 34 -0.387 -7.892 8.669 1.00 0.00 H new ATOM 0 HB THR A 34 1.807 -8.712 6.748 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.329 -10.396 6.947 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.071 -9.530 8.660 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.851 -7.765 8.705 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.874 -8.811 9.762 1.00 0.00 H new ATOM 495 N LYS A 35 1.156 -5.647 6.838 1.00 0.00 N ATOM 496 CA LYS A 35 1.548 -4.234 6.866 1.00 0.00 C ATOM 497 C LYS A 35 0.410 -3.285 7.244 1.00 0.00 C ATOM 498 O LYS A 35 0.686 -2.114 7.496 1.00 0.00 O ATOM 499 CB LYS A 35 2.111 -3.810 5.499 1.00 0.00 C ATOM 500 CG LYS A 35 3.610 -3.502 5.566 1.00 0.00 C ATOM 501 CD LYS A 35 4.018 -2.873 4.227 1.00 0.00 C ATOM 502 CE LYS A 35 5.509 -2.629 4.026 1.00 0.00 C ATOM 503 NZ LYS A 35 6.322 -3.854 4.150 1.00 0.00 N ATOM 0 H LYS A 35 1.255 -6.079 5.919 1.00 0.00 H new ATOM 0 HA LYS A 35 2.308 -4.155 7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.936 -4.604 4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.576 -2.930 5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.824 -2.821 6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.180 -4.413 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.665 -3.519 3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.498 -1.921 4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.669 -2.193 3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.852 -1.898 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.316 -3.634 3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.250 -4.222 5.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.974 -4.570 3.481 1.00 0.00 H new ATOM 517 N ILE A 36 -0.845 -3.729 7.273 1.00 0.00 N ATOM 518 CA ILE A 36 -1.983 -2.916 7.706 1.00 0.00 C ATOM 519 C ILE A 36 -2.749 -3.584 8.855 1.00 0.00 C ATOM 520 O ILE A 36 -3.835 -3.130 9.218 1.00 0.00 O ATOM 521 CB ILE A 36 -2.865 -2.546 6.497 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.616 -3.741 5.884 1.00 0.00 C ATOM 523 CG2 ILE A 36 -2.033 -1.829 5.421 1.00 0.00 C ATOM 524 CD1 ILE A 36 -4.727 -3.258 4.950 1.00 0.00 C ATOM 0 H ILE A 36 -1.105 -4.675 6.993 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.615 -1.977 8.120 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.631 -1.872 6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.919 -4.371 5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.042 -4.355 6.677 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.672 -1.576 4.575 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.606 -0.917 5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.230 -2.485 5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.246 -4.118 4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.434 -2.647 5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.293 -2.664 4.146 1.00 0.00 H new ATOM 536 N ASN A 37 -2.173 -4.649 9.422 1.00 0.00 N ATOM 537 CA ASN A 37 -2.757 -5.608 10.350 1.00 0.00 C ATOM 538 C ASN A 37 -4.221 -5.913 10.017 1.00 0.00 C ATOM 539 O ASN A 37 -5.143 -5.536 10.738 1.00 0.00 O ATOM 540 CB ASN A 37 -2.522 -5.173 11.797 1.00 0.00 C ATOM 541 CG ASN A 37 -2.878 -6.258 12.805 1.00 0.00 C ATOM 542 OD1 ASN A 37 -3.396 -7.325 12.473 1.00 0.00 O ATOM 543 ND2 ASN A 37 -2.625 -5.995 14.075 1.00 0.00 N ATOM 0 H ASN A 37 -1.199 -4.877 9.222 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.243 -6.562 10.232 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.475 -4.896 11.923 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.115 -4.282 12.005 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.859 -6.680 14.794 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.196 -5.107 14.336 1.00 0.00 H new ATOM 550 N GLU A 38 -4.418 -6.593 8.896 1.00 0.00 N ATOM 551 CA GLU A 38 -5.677 -7.130 8.395 1.00 0.00 C ATOM 552 C GLU A 38 -5.429 -8.588 8.000 1.00 0.00 C ATOM 553 O GLU A 38 -4.312 -9.112 8.133 1.00 0.00 O ATOM 554 CB GLU A 38 -6.146 -6.319 7.172 1.00 0.00 C ATOM 555 CG GLU A 38 -6.579 -4.888 7.514 1.00 0.00 C ATOM 556 CD GLU A 38 -7.941 -4.701 8.175 1.00 0.00 C ATOM 557 OE1 GLU A 38 -8.639 -5.675 8.512 1.00 0.00 O ATOM 558 OE2 GLU A 38 -8.351 -3.519 8.277 1.00 0.00 O ATOM 0 H GLU A 38 -3.644 -6.800 8.265 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.454 -7.068 9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.339 -6.280 6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.979 -6.839 6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.824 -4.457 8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.570 -4.305 6.593 1.00 0.00 H new ATOM 565 N LYS A 39 -6.466 -9.247 7.489 1.00 0.00 N ATOM 566 CA LYS A 39 -6.386 -10.582 6.901 1.00 0.00 C ATOM 567 C LYS A 39 -6.184 -10.492 5.386 1.00 0.00 C ATOM 568 O LYS A 39 -6.686 -9.565 4.757 1.00 0.00 O ATOM 569 CB LYS A 39 -7.692 -11.325 7.202 1.00 0.00 C ATOM 570 CG LYS A 39 -7.928 -11.490 8.716 1.00 0.00 C ATOM 571 CD LYS A 39 -6.994 -12.526 9.375 1.00 0.00 C ATOM 572 CE LYS A 39 -7.144 -12.605 10.902 1.00 0.00 C ATOM 573 NZ LYS A 39 -6.400 -11.550 11.625 1.00 0.00 N ATOM 0 H LYS A 39 -7.409 -8.858 7.472 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.537 -11.116 7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.528 -10.781 6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.667 -12.307 6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.790 -10.525 9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.963 -11.787 8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.195 -13.508 8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.961 -12.278 9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.201 -12.534 11.159 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.798 -13.581 11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.545 -11.662 12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.386 -11.630 11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.745 -10.615 11.327 1.00 0.00 H new ATOM 587 N PRO A 40 -5.535 -11.486 4.764 1.00 0.00 N ATOM 588 CA PRO A 40 -5.255 -11.498 3.332 1.00 0.00 C ATOM 589 C PRO A 40 -6.504 -11.617 2.464 1.00 0.00 C ATOM 590 O PRO A 40 -6.433 -11.294 1.275 1.00 0.00 O ATOM 591 CB PRO A 40 -4.289 -12.664 3.119 1.00 0.00 C ATOM 592 CG PRO A 40 -4.514 -13.578 4.320 1.00 0.00 C ATOM 593 CD PRO A 40 -4.937 -12.626 5.423 1.00 0.00 C ATOM 0 HA PRO A 40 -4.822 -10.547 3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.495 -13.183 2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.256 -12.319 3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.283 -14.323 4.117 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.607 -14.121 4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.648 -13.103 6.098 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.081 -12.323 6.025 1.00 0.00 H new ATOM 601 N GLN A 41 -7.638 -12.043 3.032 1.00 0.00 N ATOM 602 CA GLN A 41 -8.883 -12.130 2.293 1.00 0.00 C ATOM 603 C GLN A 41 -9.352 -10.743 1.879 1.00 0.00 C ATOM 604 O GLN A 41 -9.628 -10.533 0.699 1.00 0.00 O ATOM 605 CB GLN A 41 -9.956 -12.871 3.108 1.00 0.00 C ATOM 606 CG GLN A 41 -11.221 -13.133 2.277 1.00 0.00 C ATOM 607 CD GLN A 41 -10.895 -13.917 1.008 1.00 0.00 C ATOM 608 OE1 GLN A 41 -10.563 -15.096 1.063 1.00 0.00 O ATOM 609 NE2 GLN A 41 -10.931 -13.309 -0.163 1.00 0.00 N ATOM 0 H GLN A 41 -7.709 -12.332 4.008 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.708 -12.709 1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.552 -13.819 3.465 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.215 -12.283 3.989 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.944 -13.688 2.875 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.688 -12.185 2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.206 -12.328 -0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.684 -13.820 -1.011 1.00 0.00 H new ATOM 618 N VAL A 42 -9.444 -9.805 2.829 1.00 0.00 N ATOM 619 CA VAL A 42 -9.984 -8.488 2.518 1.00 0.00 C ATOM 620 C VAL A 42 -9.083 -7.780 1.502 1.00 0.00 C ATOM 621 O VAL A 42 -9.579 -7.000 0.703 1.00 0.00 O ATOM 622 CB VAL A 42 -10.287 -7.658 3.788 1.00 0.00 C ATOM 623 CG1 VAL A 42 -11.140 -8.468 4.782 1.00 0.00 C ATOM 624 CG2 VAL A 42 -9.053 -7.138 4.536 1.00 0.00 C ATOM 0 H VAL A 42 -9.156 -9.934 3.799 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.958 -8.609 2.044 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.824 -6.787 3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.340 -7.864 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.083 -8.745 4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.601 -9.370 5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.370 -6.569 5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.439 -7.980 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.472 -6.494 3.876 1.00 0.00 H new ATOM 634 N ILE A 43 -7.782 -8.099 1.474 1.00 0.00 N ATOM 635 CA ILE A 43 -6.850 -7.568 0.477 1.00 0.00 C ATOM 636 C ILE A 43 -7.274 -7.989 -0.935 1.00 0.00 C ATOM 637 O ILE A 43 -7.425 -7.132 -1.805 1.00 0.00 O ATOM 638 CB ILE A 43 -5.396 -7.970 0.809 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.002 -7.578 2.243 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.376 -7.393 -0.186 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.195 -6.107 2.636 1.00 0.00 C ATOM 0 H ILE A 43 -7.348 -8.734 2.144 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.884 -6.479 0.508 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.370 -9.056 0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.579 -8.193 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.953 -7.834 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.372 -7.709 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.601 -7.756 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.431 -6.304 -0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.881 -5.962 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.595 -5.474 1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.247 -5.839 2.536 1.00 0.00 H new ATOM 653 N ALA A 44 -7.478 -9.281 -1.189 1.00 0.00 N ATOM 654 CA ALA A 44 -7.933 -9.724 -2.510 1.00 0.00 C ATOM 655 C ALA A 44 -9.238 -9.032 -2.915 1.00 0.00 C ATOM 656 O ALA A 44 -9.433 -8.657 -4.074 1.00 0.00 O ATOM 657 CB ALA A 44 -8.134 -11.234 -2.509 1.00 0.00 C ATOM 0 H ALA A 44 -7.339 -10.030 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.166 -9.454 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.472 -11.557 -3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.191 -11.726 -2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.882 -11.501 -1.763 1.00 0.00 H new ATOM 663 N ASP A 45 -10.140 -8.871 -1.952 1.00 0.00 N ATOM 664 CA ASP A 45 -11.439 -8.264 -2.179 1.00 0.00 C ATOM 665 C ASP A 45 -11.307 -6.758 -2.435 1.00 0.00 C ATOM 666 O ASP A 45 -12.084 -6.223 -3.225 1.00 0.00 O ATOM 667 CB ASP A 45 -12.373 -8.596 -1.009 1.00 0.00 C ATOM 668 CG ASP A 45 -12.922 -10.016 -1.135 1.00 0.00 C ATOM 669 OD1 ASP A 45 -12.137 -10.993 -1.147 1.00 0.00 O ATOM 670 OD2 ASP A 45 -14.152 -10.174 -1.312 1.00 0.00 O ATOM 0 H ASP A 45 -9.985 -9.161 -0.987 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.885 -8.681 -3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.834 -8.493 -0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -13.198 -7.884 -0.984 1.00 0.00 H new ATOM 675 N TYR A 46 -10.312 -6.083 -1.847 1.00 0.00 N ATOM 676 CA TYR A 46 -9.960 -4.691 -2.119 1.00 0.00 C ATOM 677 C TYR A 46 -9.508 -4.505 -3.563 1.00 0.00 C ATOM 678 O TYR A 46 -9.942 -3.554 -4.212 1.00 0.00 O ATOM 679 CB TYR A 46 -8.849 -4.195 -1.174 1.00 0.00 C ATOM 680 CG TYR A 46 -9.338 -3.258 -0.099 1.00 0.00 C ATOM 681 CD1 TYR A 46 -9.600 -1.918 -0.422 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.532 -3.715 1.213 1.00 0.00 C ATOM 683 CE1 TYR A 46 -10.112 -1.047 0.554 1.00 0.00 C ATOM 684 CE2 TYR A 46 -10.051 -2.856 2.193 1.00 0.00 C ATOM 685 CZ TYR A 46 -10.371 -1.519 1.861 1.00 0.00 C ATOM 686 OH TYR A 46 -10.939 -0.684 2.774 1.00 0.00 O ATOM 0 H TYR A 46 -9.710 -6.510 -1.143 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.861 -4.101 -1.948 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.374 -5.056 -0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.083 -3.690 -1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.408 -1.556 -1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.280 -4.733 1.470 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.308 -0.015 0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.206 -3.215 3.200 1.00 0.00 H new ATOM 0 HH TYR A 46 -11.053 -1.158 3.624 1.00 0.00 H new ATOM 696 N GLU A 47 -8.644 -5.389 -4.068 1.00 0.00 N ATOM 697 CA GLU A 47 -8.142 -5.325 -5.430 1.00 0.00 C ATOM 698 C GLU A 47 -9.285 -5.390 -6.449 1.00 0.00 C ATOM 699 O GLU A 47 -9.221 -4.746 -7.499 1.00 0.00 O ATOM 700 CB GLU A 47 -7.110 -6.447 -5.634 1.00 0.00 C ATOM 701 CG GLU A 47 -5.687 -5.886 -5.566 1.00 0.00 C ATOM 702 CD GLU A 47 -4.641 -6.992 -5.574 1.00 0.00 C ATOM 703 OE1 GLU A 47 -4.416 -7.626 -6.628 1.00 0.00 O ATOM 704 OE2 GLU A 47 -4.020 -7.251 -4.519 1.00 0.00 O ATOM 0 H GLU A 47 -8.274 -6.174 -3.533 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.649 -4.367 -5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.242 -7.214 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.272 -6.927 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.518 -5.220 -6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.575 -5.287 -4.662 1.00 0.00 H new ATOM 711 N SER A 48 -10.344 -6.126 -6.111 1.00 0.00 N ATOM 712 CA SER A 48 -11.566 -6.201 -6.901 1.00 0.00 C ATOM 713 C SER A 48 -12.556 -5.054 -6.664 1.00 0.00 C ATOM 714 O SER A 48 -13.403 -4.825 -7.527 1.00 0.00 O ATOM 715 CB SER A 48 -12.293 -7.496 -6.561 1.00 0.00 C ATOM 716 OG SER A 48 -11.598 -8.617 -7.080 1.00 0.00 O ATOM 0 H SER A 48 -10.374 -6.695 -5.265 1.00 0.00 H new ATOM 0 HA SER A 48 -11.245 -6.144 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.388 -7.591 -5.479 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.303 -7.469 -6.969 1.00 0.00 H new ATOM 0 HG SER A 48 -12.081 -9.437 -6.849 1.00 0.00 H new ATOM 722 N GLY A 49 -12.514 -4.372 -5.516 1.00 0.00 N ATOM 723 CA GLY A 49 -13.559 -3.430 -5.116 1.00 0.00 C ATOM 724 C GLY A 49 -14.701 -4.061 -4.324 1.00 0.00 C ATOM 725 O GLY A 49 -15.661 -3.378 -3.968 1.00 0.00 O ATOM 0 H GLY A 49 -11.755 -4.458 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.109 -2.639 -4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.969 -2.958 -6.009 1.00 0.00 H new ATOM 729 N ARG A 50 -14.639 -5.371 -4.076 1.00 0.00 N ATOM 730 CA ARG A 50 -15.693 -6.087 -3.369 1.00 0.00 C ATOM 731 C ARG A 50 -15.708 -5.661 -1.913 1.00 0.00 C ATOM 732 O ARG A 50 -16.783 -5.380 -1.379 1.00 0.00 O ATOM 733 CB ARG A 50 -15.534 -7.596 -3.514 1.00 0.00 C ATOM 734 CG ARG A 50 -15.663 -7.990 -4.994 1.00 0.00 C ATOM 735 CD ARG A 50 -16.533 -9.230 -5.159 1.00 0.00 C ATOM 736 NE ARG A 50 -16.306 -9.872 -6.463 1.00 0.00 N ATOM 737 CZ ARG A 50 -15.243 -10.604 -6.811 1.00 0.00 C ATOM 738 NH1 ARG A 50 -14.273 -10.844 -5.940 1.00 0.00 N ATOM 739 NH2 ARG A 50 -15.151 -11.106 -8.031 1.00 0.00 N ATOM 0 H ARG A 50 -13.857 -5.961 -4.361 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.654 -5.831 -3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.564 -7.908 -3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -16.292 -8.110 -2.923 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -16.094 -7.162 -5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.674 -8.178 -5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.316 -9.938 -4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.584 -8.955 -5.064 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.030 -9.746 -7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.333 -10.469 -4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.466 -11.404 -6.216 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.893 -10.935 -8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.338 -11.664 -8.293 1.00 0.00 H new ATOM 753 N ALA A 51 -14.542 -5.620 -1.264 1.00 0.00 N ATOM 754 CA ALA A 51 -14.428 -5.045 0.067 1.00 0.00 C ATOM 755 C ALA A 51 -14.831 -3.578 -0.054 1.00 0.00 C ATOM 756 O ALA A 51 -14.376 -2.913 -0.984 1.00 0.00 O ATOM 757 CB ALA A 51 -12.991 -5.180 0.587 1.00 0.00 C ATOM 0 H ALA A 51 -13.666 -5.980 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.072 -5.563 0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.922 -4.745 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.718 -6.234 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.310 -4.657 -0.085 1.00 0.00 H new ATOM 763 N ILE A 52 -15.654 -3.064 0.855 1.00 0.00 N ATOM 764 CA ILE A 52 -16.079 -1.670 0.811 1.00 0.00 C ATOM 765 C ILE A 52 -14.843 -0.819 1.137 1.00 0.00 C ATOM 766 O ILE A 52 -14.257 -1.023 2.207 1.00 0.00 O ATOM 767 CB ILE A 52 -17.242 -1.392 1.776 1.00 0.00 C ATOM 768 CG1 ILE A 52 -18.412 -2.384 1.603 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.744 0.052 1.599 1.00 0.00 C ATOM 770 CD1 ILE A 52 -18.995 -2.507 0.191 1.00 0.00 C ATOM 0 H ILE A 52 -16.041 -3.596 1.635 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.464 -1.419 -0.177 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.855 -1.528 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.074 -3.370 1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.214 -2.089 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.568 0.238 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -16.932 0.748 1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.088 0.195 0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.809 -3.232 0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.374 -1.537 -0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.217 -2.839 -0.496 1.00 0.00 H new ATOM 782 N PRO A 53 -14.403 0.079 0.240 1.00 0.00 N ATOM 783 CA PRO A 53 -13.213 0.882 0.459 1.00 0.00 C ATOM 784 C PRO A 53 -13.470 1.938 1.535 1.00 0.00 C ATOM 785 O PRO A 53 -14.304 2.836 1.361 1.00 0.00 O ATOM 786 CB PRO A 53 -12.824 1.472 -0.897 1.00 0.00 C ATOM 787 CG PRO A 53 -14.088 1.371 -1.746 1.00 0.00 C ATOM 788 CD PRO A 53 -14.973 0.330 -1.075 1.00 0.00 C ATOM 0 HA PRO A 53 -12.381 0.288 0.838 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.496 2.507 -0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.000 0.918 -1.347 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.596 2.334 -1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.847 1.076 -2.767 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.998 0.691 -0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.006 -0.587 -1.664 1.00 0.00 H new ATOM 796 N ASN A 54 -12.753 1.814 2.651 1.00 0.00 N ATOM 797 CA ASN A 54 -12.836 2.662 3.834 1.00 0.00 C ATOM 798 C ASN A 54 -11.597 3.551 3.855 1.00 0.00 C ATOM 799 O ASN A 54 -10.497 3.002 3.870 1.00 0.00 O ATOM 800 CB ASN A 54 -12.902 1.763 5.080 1.00 0.00 C ATOM 801 CG ASN A 54 -12.961 2.539 6.392 1.00 0.00 C ATOM 802 OD1 ASN A 54 -12.825 3.756 6.432 1.00 0.00 O ATOM 803 ND2 ASN A 54 -13.125 1.841 7.502 1.00 0.00 N ATOM 0 H ASN A 54 -12.058 1.075 2.757 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.726 3.290 3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.780 1.121 5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.029 1.110 5.093 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.139 2.315 8.405 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.237 0.828 7.456 1.00 0.00 H new ATOM 810 N ASN A 55 -11.734 4.888 3.867 1.00 0.00 N ATOM 811 CA ASN A 55 -10.575 5.799 3.853 1.00 0.00 C ATOM 812 C ASN A 55 -9.591 5.541 4.996 1.00 0.00 C ATOM 813 O ASN A 55 -8.411 5.850 4.863 1.00 0.00 O ATOM 814 CB ASN A 55 -10.934 7.289 3.839 1.00 0.00 C ATOM 815 CG ASN A 55 -11.396 7.796 5.195 1.00 0.00 C ATOM 816 OD1 ASN A 55 -10.603 8.274 6.000 1.00 0.00 O ATOM 817 ND2 ASN A 55 -12.686 7.732 5.458 1.00 0.00 N ATOM 0 H ASN A 55 -12.637 5.363 3.886 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.095 5.563 2.903 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.066 7.864 3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.720 7.462 3.104 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.044 8.084 6.346 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -13.327 7.330 4.773 1.00 0.00 H new ATOM 824 N GLN A 56 -10.056 4.959 6.100 1.00 0.00 N ATOM 825 CA GLN A 56 -9.211 4.550 7.206 1.00 0.00 C ATOM 826 C GLN A 56 -8.210 3.497 6.716 1.00 0.00 C ATOM 827 O GLN A 56 -6.996 3.670 6.836 1.00 0.00 O ATOM 828 CB GLN A 56 -10.099 4.014 8.337 1.00 0.00 C ATOM 829 CG GLN A 56 -11.117 5.055 8.836 1.00 0.00 C ATOM 830 CD GLN A 56 -11.947 4.495 9.983 1.00 0.00 C ATOM 831 OE1 GLN A 56 -11.389 4.019 10.968 1.00 0.00 O ATOM 832 NE2 GLN A 56 -13.267 4.491 9.882 1.00 0.00 N ATOM 0 H GLN A 56 -11.045 4.758 6.247 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.641 5.395 7.593 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.631 3.130 7.987 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.470 3.699 9.169 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -10.594 5.953 9.165 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -11.773 5.350 8.017 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.717 4.890 9.058 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.834 4.089 10.628 1.00 0.00 H new ATOM 841 N VAL A 57 -8.717 2.410 6.137 1.00 0.00 N ATOM 842 CA VAL A 57 -7.915 1.292 5.663 1.00 0.00 C ATOM 843 C VAL A 57 -7.128 1.692 4.416 1.00 0.00 C ATOM 844 O VAL A 57 -5.954 1.338 4.337 1.00 0.00 O ATOM 845 CB VAL A 57 -8.819 0.069 5.433 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.014 -1.147 4.951 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.545 -0.290 6.742 1.00 0.00 C ATOM 0 H VAL A 57 -9.717 2.283 5.983 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.179 1.015 6.418 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.541 0.328 4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.686 -1.991 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.517 -0.905 4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.266 -1.408 5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.185 -1.157 6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.811 -0.523 7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.154 0.555 7.064 1.00 0.00 H new ATOM 857 N LEU A 58 -7.716 2.479 3.506 1.00 0.00 N ATOM 858 CA LEU A 58 -6.999 3.098 2.391 1.00 0.00 C ATOM 859 C LEU A 58 -5.759 3.808 2.936 1.00 0.00 C ATOM 860 O LEU A 58 -4.672 3.572 2.428 1.00 0.00 O ATOM 861 CB LEU A 58 -7.894 4.091 1.632 1.00 0.00 C ATOM 862 CG LEU A 58 -8.900 3.448 0.654 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.161 4.299 0.461 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.261 3.305 -0.724 1.00 0.00 C ATOM 0 H LEU A 58 -8.711 2.704 3.526 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.704 2.322 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.447 4.687 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.257 4.778 1.075 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.172 2.486 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.834 3.800 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.663 4.428 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.884 5.275 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.975 2.851 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.975 4.289 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.376 2.673 -0.651 1.00 0.00 H new ATOM 876 N GLY A 59 -5.885 4.584 4.018 1.00 0.00 N ATOM 877 CA GLY A 59 -4.773 5.266 4.670 1.00 0.00 C ATOM 878 C GLY A 59 -3.687 4.292 5.117 1.00 0.00 C ATOM 879 O GLY A 59 -2.507 4.510 4.844 1.00 0.00 O ATOM 0 H GLY A 59 -6.783 4.756 4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.344 5.997 3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.143 5.818 5.534 1.00 0.00 H new ATOM 883 N LYS A 60 -4.066 3.187 5.770 1.00 0.00 N ATOM 884 CA LYS A 60 -3.112 2.148 6.149 1.00 0.00 C ATOM 885 C LYS A 60 -2.383 1.605 4.920 1.00 0.00 C ATOM 886 O LYS A 60 -1.175 1.375 4.985 1.00 0.00 O ATOM 887 CB LYS A 60 -3.800 0.996 6.895 1.00 0.00 C ATOM 888 CG LYS A 60 -4.529 1.404 8.181 1.00 0.00 C ATOM 889 CD LYS A 60 -4.892 0.180 9.038 1.00 0.00 C ATOM 890 CE LYS A 60 -6.094 -0.601 8.495 1.00 0.00 C ATOM 891 NZ LYS A 60 -6.380 -1.805 9.303 1.00 0.00 N ATOM 0 H LYS A 60 -5.029 2.993 6.045 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.386 2.606 6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.516 0.524 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.051 0.244 7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.898 2.079 8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.436 1.953 7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.030 -0.485 9.094 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.109 0.508 10.055 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.972 0.045 8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.900 -0.894 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.133 -2.359 8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.520 -2.385 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.689 -1.519 10.254 1.00 0.00 H new ATOM 905 N ILE A 61 -3.100 1.350 3.826 1.00 0.00 N ATOM 906 CA ILE A 61 -2.550 0.867 2.571 1.00 0.00 C ATOM 907 C ILE A 61 -1.630 1.918 1.956 1.00 0.00 C ATOM 908 O ILE A 61 -0.609 1.537 1.382 1.00 0.00 O ATOM 909 CB ILE A 61 -3.705 0.448 1.643 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.358 -0.804 2.249 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.243 0.159 0.202 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.624 -1.202 1.510 1.00 0.00 C ATOM 0 H ILE A 61 -4.111 1.480 3.793 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.931 -0.015 2.738 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.412 1.274 1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.648 -1.631 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.593 -0.618 3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.101 -0.131 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.787 1.054 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.513 -0.651 0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.051 -2.092 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.345 -0.386 1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.385 -1.414 0.468 1.00 0.00 H new ATOM 924 N GLU A 62 -1.932 3.213 2.085 1.00 0.00 N ATOM 925 CA GLU A 62 -1.017 4.225 1.562 1.00 0.00 C ATOM 926 C GLU A 62 0.327 4.070 2.257 1.00 0.00 C ATOM 927 O GLU A 62 1.355 3.949 1.599 1.00 0.00 O ATOM 928 CB GLU A 62 -1.453 5.695 1.772 1.00 0.00 C ATOM 929 CG GLU A 62 -2.788 6.099 1.161 1.00 0.00 C ATOM 930 CD GLU A 62 -3.094 7.596 1.248 1.00 0.00 C ATOM 931 OE1 GLU A 62 -2.769 8.251 2.267 1.00 0.00 O ATOM 932 OE2 GLU A 62 -3.814 8.082 0.340 1.00 0.00 O ATOM 0 H GLU A 62 -2.774 3.575 2.532 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.989 4.049 0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.495 5.889 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.679 6.343 1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.801 5.798 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.585 5.548 1.661 1.00 0.00 H new ATOM 939 N ARG A 63 0.321 4.000 3.593 1.00 0.00 N ATOM 940 CA ARG A 63 1.528 3.754 4.380 1.00 0.00 C ATOM 941 C ARG A 63 2.197 2.442 3.974 1.00 0.00 C ATOM 942 O ARG A 63 3.417 2.340 4.046 1.00 0.00 O ATOM 943 CB ARG A 63 1.215 3.764 5.884 1.00 0.00 C ATOM 944 CG ARG A 63 0.660 5.113 6.360 1.00 0.00 C ATOM 945 CD ARG A 63 0.757 5.271 7.887 1.00 0.00 C ATOM 946 NE ARG A 63 -0.555 5.317 8.556 1.00 0.00 N ATOM 947 CZ ARG A 63 -1.255 4.319 9.113 1.00 0.00 C ATOM 948 NH1 ARG A 63 -0.857 3.056 9.064 1.00 0.00 N ATOM 949 NH2 ARG A 63 -2.386 4.602 9.738 1.00 0.00 N ATOM 0 H ARG A 63 -0.522 4.113 4.156 1.00 0.00 H new ATOM 0 HA ARG A 63 2.228 4.563 4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.493 2.979 6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.122 3.531 6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.209 5.921 5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.381 5.205 6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.335 4.442 8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.305 6.185 8.116 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.992 6.238 8.602 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.012 2.813 8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.420 2.327 9.501 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.712 5.567 9.790 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.932 3.855 10.168 1.00 0.00 H new ATOM 963 N ALA A 64 1.413 1.453 3.540 1.00 0.00 N ATOM 964 CA ALA A 64 1.895 0.136 3.180 1.00 0.00 C ATOM 965 C ALA A 64 2.771 0.163 1.924 1.00 0.00 C ATOM 966 O ALA A 64 3.872 -0.392 1.929 1.00 0.00 O ATOM 967 CB ALA A 64 0.719 -0.832 2.995 1.00 0.00 C ATOM 0 H ALA A 64 0.404 1.557 3.430 1.00 0.00 H new ATOM 0 HA ALA A 64 2.520 -0.215 4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.098 -1.818 2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.156 -0.903 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.066 -0.465 2.203 1.00 0.00 H new ATOM 973 N ILE A 65 2.258 0.735 0.828 1.00 0.00 N ATOM 974 CA ILE A 65 2.981 0.780 -0.447 1.00 0.00 C ATOM 975 C ILE A 65 3.844 2.050 -0.555 1.00 0.00 C ATOM 976 O ILE A 65 4.731 2.130 -1.405 1.00 0.00 O ATOM 977 CB ILE A 65 2.017 0.628 -1.642 1.00 0.00 C ATOM 978 CG1 ILE A 65 1.053 1.817 -1.810 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.257 -0.708 -1.546 1.00 0.00 C ATOM 980 CD1 ILE A 65 0.273 1.779 -3.123 1.00 0.00 C ATOM 0 H ILE A 65 1.339 1.176 0.800 1.00 0.00 H new ATOM 0 HA ILE A 65 3.662 -0.071 -0.477 1.00 0.00 H new ATOM 0 HB ILE A 65 2.630 0.624 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.350 1.827 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.620 2.746 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.580 -0.803 -2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.969 -1.533 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.683 -0.734 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.388 2.644 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.970 1.800 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.321 0.866 -3.167 1.00 0.00 H new ATOM 992 N GLY A 66 3.586 3.054 0.285 1.00 0.00 N ATOM 993 CA GLY A 66 4.233 4.358 0.280 1.00 0.00 C ATOM 994 C GLY A 66 3.705 5.287 -0.811 1.00 0.00 C ATOM 995 O GLY A 66 4.451 6.164 -1.245 1.00 0.00 O ATOM 0 H GLY A 66 2.885 2.971 1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.090 4.831 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.306 4.223 0.146 1.00 0.00 H new ATOM 999 N LEU A 67 2.454 5.138 -1.261 1.00 0.00 N ATOM 1000 CA LEU A 67 1.847 5.990 -2.289 1.00 0.00 C ATOM 1001 C LEU A 67 0.365 6.221 -1.967 1.00 0.00 C ATOM 1002 O LEU A 67 -0.213 5.471 -1.188 1.00 0.00 O ATOM 1003 CB LEU A 67 1.944 5.328 -3.680 1.00 0.00 C ATOM 1004 CG LEU A 67 3.322 4.849 -4.184 1.00 0.00 C ATOM 1005 CD1 LEU A 67 3.084 3.947 -5.396 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.271 5.983 -4.595 1.00 0.00 C ATOM 0 H LEU A 67 1.826 4.412 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 67 2.386 6.937 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.275 4.468 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.554 6.037 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 67 3.807 4.331 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.041 3.590 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.471 3.095 -5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.571 4.511 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.216 5.561 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.819 6.561 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.452 6.634 -3.740 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.254 7.249 -2.551 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.650 7.638 -2.358 1.00 0.00 C ATOM 1020 C LYS A 68 -2.584 6.600 -2.951 1.00 0.00 C ATOM 1021 O LYS A 68 -2.351 6.136 -4.069 1.00 0.00 O ATOM 1022 CB LYS A 68 -1.941 8.959 -3.085 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.350 10.187 -2.393 1.00 0.00 C ATOM 1024 CD LYS A 68 -1.790 11.440 -3.156 1.00 0.00 C ATOM 1025 CE LYS A 68 -1.368 12.742 -2.474 1.00 0.00 C ATOM 1026 NZ LYS A 68 -2.196 13.060 -1.291 1.00 0.00 N ATOM 0 H LYS A 68 0.231 7.863 -3.205 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.811 7.735 -1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.546 8.900 -4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.020 9.086 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.688 10.237 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.262 10.121 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.369 11.411 -4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.875 11.429 -3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.323 12.667 -2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.435 13.561 -3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.868 13.951 -0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.190 13.159 -1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.113 12.293 -0.593 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.712 6.357 -2.280 1.00 0.00 N ATOM 1041 CA LEU A 69 -4.791 5.504 -2.762 1.00 0.00 C ATOM 1042 C LEU A 69 -6.083 6.316 -2.924 1.00 0.00 C ATOM 1043 O LEU A 69 -7.155 5.739 -3.119 1.00 0.00 O ATOM 1044 CB LEU A 69 -4.979 4.307 -1.815 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.990 3.142 -1.959 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.075 2.432 -3.302 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.517 3.479 -1.810 1.00 0.00 C ATOM 0 H LEU A 69 -3.901 6.761 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.529 5.111 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.923 4.674 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.986 3.916 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.316 2.521 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.348 1.621 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.077 2.025 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.861 3.140 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.922 2.574 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.231 4.206 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.338 3.899 -0.820 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.018 7.649 -2.828 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.182 8.522 -2.922 1.00 0.00 C ATOM 1061 C ARG A 70 -6.829 9.763 -3.729 1.00 0.00 C ATOM 1062 O ARG A 70 -5.662 10.163 -3.770 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.663 8.929 -1.520 1.00 0.00 C ATOM 1064 CG ARG A 70 -7.928 7.731 -0.594 1.00 0.00 C ATOM 1065 CD ARG A 70 -8.669 8.096 0.704 1.00 0.00 C ATOM 1066 NE ARG A 70 -7.848 8.933 1.588 1.00 0.00 N ATOM 1067 CZ ARG A 70 -7.727 10.265 1.595 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -8.550 11.050 0.909 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -6.751 10.809 2.298 1.00 0.00 N ATOM 0 H ARG A 70 -5.143 8.153 -2.681 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.986 7.982 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.915 9.575 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.577 9.516 -1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.512 6.987 -1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.976 7.265 -0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.591 8.623 0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.953 7.184 1.229 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.299 8.434 2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.302 10.640 0.355 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.430 12.063 0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.108 10.216 2.822 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.640 11.823 2.317 1.00 0.00 H new ATOM 1083 N GLY A 71 -7.859 10.397 -4.289 1.00 0.00 N ATOM 1084 CA GLY A 71 -7.738 11.474 -5.252 1.00 0.00 C ATOM 1085 C GLY A 71 -7.330 10.913 -6.612 1.00 0.00 C ATOM 1086 O GLY A 71 -6.899 9.761 -6.721 1.00 0.00 O ATOM 0 H GLY A 71 -8.828 10.162 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.686 12.005 -5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.997 12.197 -4.910 1.00 0.00 H new ATOM 1090 N LYS A 72 -7.413 11.728 -7.669 1.00 0.00 N ATOM 1091 CA LYS A 72 -6.881 11.333 -8.979 1.00 0.00 C ATOM 1092 C LYS A 72 -5.346 11.271 -8.944 1.00 0.00 C ATOM 1093 O LYS A 72 -4.726 10.621 -9.790 1.00 0.00 O ATOM 1094 CB LYS A 72 -7.440 12.240 -10.090 1.00 0.00 C ATOM 1095 CG LYS A 72 -7.432 11.536 -11.460 1.00 0.00 C ATOM 1096 CD LYS A 72 -8.135 12.388 -12.525 1.00 0.00 C ATOM 1097 CE LYS A 72 -8.082 11.786 -13.939 1.00 0.00 C ATOM 1098 NZ LYS A 72 -8.790 10.494 -14.067 1.00 0.00 N ATOM 0 H LYS A 72 -7.838 12.655 -7.645 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.218 10.324 -9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.459 12.536 -9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.847 13.153 -10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.404 11.342 -11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.928 10.569 -11.378 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.178 12.524 -12.237 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.678 13.377 -12.545 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.514 12.497 -14.643 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.039 11.648 -14.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.711 10.150 -15.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.364 9.799 -13.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.793 10.622 -13.825 1.00 0.00 H new ATOM 1112 N ASP A 73 -4.735 11.839 -7.898 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.324 11.706 -7.531 1.00 0.00 C ATOM 1114 C ASP A 73 -2.954 10.267 -7.135 1.00 0.00 C ATOM 1115 O ASP A 73 -1.864 10.056 -6.612 1.00 0.00 O ATOM 1116 CB ASP A 73 -2.951 12.616 -6.339 1.00 0.00 C ATOM 1117 CG ASP A 73 -3.497 14.034 -6.377 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -4.614 14.246 -5.840 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -2.803 14.941 -6.881 1.00 0.00 O ATOM 0 H ASP A 73 -5.244 12.439 -7.248 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.771 12.000 -8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.300 12.140 -5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.864 12.670 -6.277 1.00 0.00 H new ATOM 1124 N ILE A 74 -3.829 9.268 -7.305 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.541 7.892 -6.937 1.00 0.00 C ATOM 1126 C ILE A 74 -2.192 7.456 -7.523 1.00 0.00 C ATOM 1127 O ILE A 74 -1.880 7.750 -8.685 1.00 0.00 O ATOM 1128 CB ILE A 74 -4.725 6.997 -7.362 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -4.897 5.882 -6.325 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -4.689 6.568 -8.840 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -5.983 4.868 -6.666 1.00 0.00 C ATOM 0 H ILE A 74 -4.758 9.401 -7.704 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.439 7.794 -5.856 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.648 7.577 -7.351 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.948 5.357 -6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.128 6.333 -5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.554 5.942 -9.058 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.711 7.453 -9.476 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.776 6.005 -9.033 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.037 4.115 -5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.943 5.377 -6.748 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.746 4.386 -7.615 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.384 6.778 -6.714 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.070 6.294 -7.109 1.00 0.00 C ATOM 1145 C GLY A 75 1.030 7.362 -7.092 1.00 0.00 C ATOM 1146 O GLY A 75 2.194 7.026 -7.320 1.00 0.00 O ATOM 0 H GLY A 75 -1.630 6.547 -5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.220 5.481 -6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.137 5.875 -8.113 1.00 0.00 H new ATOM 1150 N LYS A 76 0.717 8.635 -6.824 1.00 0.00 N ATOM 1151 CA LYS A 76 1.681 9.639 -6.408 1.00 0.00 C ATOM 1152 C LYS A 76 2.121 9.279 -4.989 1.00 0.00 C ATOM 1153 O LYS A 76 1.357 8.657 -4.254 1.00 0.00 O ATOM 1154 CB LYS A 76 1.043 11.040 -6.398 1.00 0.00 C ATOM 1155 CG LYS A 76 0.596 11.518 -7.787 1.00 0.00 C ATOM 1156 CD LYS A 76 1.740 12.220 -8.503 1.00 0.00 C ATOM 1157 CE LYS A 76 1.391 12.477 -9.968 1.00 0.00 C ATOM 1158 NZ LYS A 76 2.588 12.856 -10.741 1.00 0.00 N ATOM 0 H LYS A 76 -0.235 8.995 -6.894 1.00 0.00 H new ATOM 0 HA LYS A 76 2.524 9.657 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.182 11.034 -5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.758 11.754 -5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.256 10.668 -8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.251 12.197 -7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.960 13.165 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.641 11.610 -8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.943 11.582 -10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.646 13.270 -10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.322 13.025 -11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.000 13.723 -10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.288 12.088 -10.696 1.00 0.00 H new ATOM 1172 N PRO A 77 3.329 9.663 -4.576 1.00 0.00 N ATOM 1173 CA PRO A 77 3.869 9.315 -3.272 1.00 0.00 C ATOM 1174 C PRO A 77 3.109 9.986 -2.124 1.00 0.00 C ATOM 1175 O PRO A 77 2.270 10.864 -2.335 1.00 0.00 O ATOM 1176 CB PRO A 77 5.363 9.649 -3.332 1.00 0.00 C ATOM 1177 CG PRO A 77 5.538 10.531 -4.575 1.00 0.00 C ATOM 1178 CD PRO A 77 4.288 10.319 -5.425 1.00 0.00 C ATOM 0 HA PRO A 77 3.742 8.255 -3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.684 10.172 -2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.965 8.743 -3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.647 11.579 -4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.436 10.253 -5.127 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.899 11.270 -5.789 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.512 9.711 -6.301 1.00 0.00 H new ATOM 1186 N ILE A 78 3.383 9.547 -0.893 1.00 0.00 N ATOM 1187 CA ILE A 78 2.821 10.139 0.309 1.00 0.00 C ATOM 1188 C ILE A 78 3.915 10.917 1.029 1.00 0.00 C ATOM 1189 O ILE A 78 4.887 10.333 1.512 1.00 0.00 O ATOM 1190 CB ILE A 78 2.079 9.108 1.189 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.916 7.884 1.611 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.820 8.595 0.467 1.00 0.00 C ATOM 1193 CD1 ILE A 78 2.246 7.056 2.712 1.00 0.00 C ATOM 0 H ILE A 78 4.008 8.763 -0.708 1.00 0.00 H new ATOM 0 HA ILE A 78 2.037 10.847 0.039 1.00 0.00 H new ATOM 0 HB ILE A 78 1.835 9.656 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.089 7.251 0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.893 8.220 1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.308 7.870 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.152 9.432 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.107 8.120 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.882 6.208 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.098 7.677 3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.281 6.693 2.358 1.00 0.00 H new ATOM 1205 N GLU A 79 3.723 12.236 1.108 1.00 0.00 N ATOM 1206 CA GLU A 79 4.615 13.163 1.788 1.00 0.00 C ATOM 1207 C GLU A 79 6.010 13.139 1.131 1.00 0.00 C ATOM 1208 O GLU A 79 6.180 12.568 0.052 1.00 0.00 O ATOM 1209 CB GLU A 79 4.588 12.874 3.307 1.00 0.00 C ATOM 1210 CG GLU A 79 3.153 12.771 3.862 1.00 0.00 C ATOM 1211 CD GLU A 79 3.111 12.905 5.380 1.00 0.00 C ATOM 1212 OE1 GLU A 79 3.361 14.027 5.874 1.00 0.00 O ATOM 1213 OE2 GLU A 79 2.816 11.916 6.095 1.00 0.00 O ATOM 0 H GLU A 79 2.917 12.697 0.686 1.00 0.00 H new ATOM 0 HA GLU A 79 4.278 14.194 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.119 11.943 3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.122 13.665 3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.535 13.549 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.721 11.813 3.572 1.00 0.00 H new ATOM 1220 N LYS A 80 7.008 13.797 1.741 1.00 0.00 N ATOM 1221 CA LYS A 80 8.404 13.814 1.269 1.00 0.00 C ATOM 1222 C LYS A 80 8.456 14.097 -0.241 1.00 0.00 C ATOM 1223 O LYS A 80 8.984 13.309 -1.039 1.00 0.00 O ATOM 1224 CB LYS A 80 9.060 12.481 1.667 1.00 0.00 C ATOM 1225 CG LYS A 80 10.592 12.510 1.581 1.00 0.00 C ATOM 1226 CD LYS A 80 11.169 11.090 1.468 1.00 0.00 C ATOM 1227 CE LYS A 80 11.556 10.747 0.022 1.00 0.00 C ATOM 1228 NZ LYS A 80 10.428 10.861 -0.924 1.00 0.00 N ATOM 0 H LYS A 80 6.866 14.342 2.591 1.00 0.00 H new ATOM 0 HA LYS A 80 8.969 14.620 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.765 12.228 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.681 11.690 1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.899 13.100 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.999 13.002 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.045 11.001 2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.435 10.369 1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.360 11.410 -0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.948 9.731 -0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.760 10.650 -1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.683 10.186 -0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.046 11.828 -0.894 1.00 0.00 H new ATOM 1242 N GLY A 81 7.813 15.188 -0.639 1.00 0.00 N ATOM 1243 CA GLY A 81 7.339 15.429 -1.988 1.00 0.00 C ATOM 1244 C GLY A 81 6.627 16.779 -2.016 1.00 0.00 C ATOM 1245 O GLY A 81 6.786 17.553 -1.066 1.00 0.00 O ATOM 0 H GLY A 81 7.601 15.957 -0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.174 15.426 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.659 14.635 -2.298 1.00 0.00 H new ATOM 1249 N PRO A 82 5.886 17.102 -3.084 1.00 0.00 N ATOM 1250 CA PRO A 82 5.322 18.426 -3.292 1.00 0.00 C ATOM 1251 C PRO A 82 4.215 18.678 -2.270 1.00 0.00 C ATOM 1252 O PRO A 82 3.105 18.153 -2.388 1.00 0.00 O ATOM 1253 CB PRO A 82 4.843 18.440 -4.742 1.00 0.00 C ATOM 1254 CG PRO A 82 4.512 16.978 -5.032 1.00 0.00 C ATOM 1255 CD PRO A 82 5.533 16.219 -4.183 1.00 0.00 C ATOM 0 HA PRO A 82 6.037 19.235 -3.141 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.970 19.080 -4.868 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.614 18.816 -5.414 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.489 16.732 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.614 16.744 -6.092 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.112 15.285 -3.811 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.413 15.960 -4.772 1.00 0.00 H new ATOM 1263 N ARG A 83 4.527 19.428 -1.217 1.00 0.00 N ATOM 1264 CA ARG A 83 3.634 19.653 -0.091 1.00 0.00 C ATOM 1265 C ARG A 83 3.966 21.022 0.474 1.00 0.00 C ATOM 1266 O ARG A 83 5.143 21.386 0.525 1.00 0.00 O ATOM 1267 CB ARG A 83 3.830 18.521 0.945 1.00 0.00 C ATOM 1268 CG ARG A 83 2.500 17.933 1.431 1.00 0.00 C ATOM 1269 CD ARG A 83 1.872 18.731 2.582 1.00 0.00 C ATOM 1270 NE ARG A 83 0.426 18.490 2.677 1.00 0.00 N ATOM 1271 CZ ARG A 83 -0.195 17.357 3.017 1.00 0.00 C ATOM 1272 NH1 ARG A 83 0.483 16.300 3.449 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -1.513 17.300 2.887 1.00 0.00 N ATOM 0 H ARG A 83 5.424 19.904 -1.123 1.00 0.00 H new ATOM 0 HA ARG A 83 2.584 19.636 -0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.434 17.729 0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.387 18.907 1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.799 17.898 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.661 16.905 1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.351 18.455 3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.056 19.795 2.431 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.176 19.283 2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.499 16.343 3.527 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.012 15.445 3.703 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.026 18.108 2.535 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.014 16.448 3.139 1.00 0.00 H new ATOM 1287 N ALA A 84 2.944 21.762 0.891 1.00 0.00 N ATOM 1288 CA ALA A 84 3.065 23.087 1.472 1.00 0.00 C ATOM 1289 C ALA A 84 2.193 23.140 2.719 1.00 0.00 C ATOM 1290 O ALA A 84 1.050 22.670 2.673 1.00 0.00 O ATOM 1291 CB ALA A 84 2.580 24.118 0.445 1.00 0.00 C ATOM 0 H ALA A 84 1.978 21.442 0.830 1.00 0.00 H new ATOM 0 HA ALA A 84 4.099 23.306 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.665 25.119 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.191 24.050 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.539 23.918 0.192 1.00 0.00 H new ATOM 1297 N LYS A 85 2.688 23.749 3.798 1.00 0.00 N ATOM 1298 CA LYS A 85 1.882 24.242 4.907 1.00 0.00 C ATOM 1299 C LYS A 85 2.529 25.511 5.428 1.00 0.00 C ATOM 1300 O LYS A 85 3.622 25.444 5.989 1.00 0.00 O ATOM 1301 CB LYS A 85 1.721 23.215 6.040 1.00 0.00 C ATOM 1302 CG LYS A 85 0.619 22.201 5.732 1.00 0.00 C ATOM 1303 CD LYS A 85 0.037 21.567 7.002 1.00 0.00 C ATOM 1304 CE LYS A 85 -1.039 20.537 6.652 1.00 0.00 C ATOM 1305 NZ LYS A 85 -2.166 21.120 5.891 1.00 0.00 N ATOM 0 H LYS A 85 3.686 23.915 3.924 1.00 0.00 H new ATOM 0 HA LYS A 85 0.875 24.437 4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.665 22.691 6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.489 23.733 6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.179 22.693 5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.019 21.418 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.833 21.088 7.572 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.389 22.343 7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.590 19.733 6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.420 20.090 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.951 20.439 5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.485 21.993 6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.855 21.339 4.923 1.00 0.00 H new ATOM 1319 N SER A 86 1.846 26.637 5.265 1.00 0.00 N ATOM 1320 CA SER A 86 2.294 27.951 5.714 1.00 0.00 C ATOM 1321 C SER A 86 1.121 28.734 6.318 1.00 0.00 C ATOM 1322 O SER A 86 1.071 29.962 6.239 1.00 0.00 O ATOM 1323 CB SER A 86 2.969 28.678 4.544 1.00 0.00 C ATOM 1324 OG SER A 86 4.096 27.942 4.095 1.00 0.00 O ATOM 0 H SER A 86 0.937 26.663 4.803 1.00 0.00 H new ATOM 0 HA SER A 86 3.035 27.853 6.508 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.259 28.805 3.727 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.278 29.676 4.856 1.00 0.00 H new ATOM 0 HG SER A 86 4.518 28.414 3.347 1.00 0.00 H new ATOM 1330 N GLY A 87 0.147 28.029 6.897 1.00 0.00 N ATOM 1331 CA GLY A 87 -0.914 28.585 7.720 1.00 0.00 C ATOM 1332 C GLY A 87 -1.458 27.473 8.617 1.00 0.00 C ATOM 1333 O GLY A 87 -1.221 26.295 8.314 1.00 0.00 O ATOM 0 H GLY A 87 0.079 27.016 6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.534 29.409 8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.708 28.990 7.093 1.00 0.00 H new ATOM 1337 N PRO A 88 -2.186 27.813 9.691 1.00 0.00 N ATOM 1338 CA PRO A 88 -2.740 26.826 10.604 1.00 0.00 C ATOM 1339 C PRO A 88 -3.854 26.044 9.909 1.00 0.00 C ATOM 1340 O PRO A 88 -4.551 26.567 9.033 1.00 0.00 O ATOM 1341 CB PRO A 88 -3.272 27.637 11.790 1.00 0.00 C ATOM 1342 CG PRO A 88 -3.648 28.979 11.164 1.00 0.00 C ATOM 1343 CD PRO A 88 -2.591 29.158 10.074 1.00 0.00 C ATOM 0 HA PRO A 88 -2.005 26.090 10.930 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.133 27.154 12.252 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.517 27.754 12.567 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.656 28.963 10.750 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.616 29.788 11.894 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.997 29.702 9.221 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.741 29.732 10.443 1.00 0.00 H new ATOM 1351 N SER A 89 -4.054 24.794 10.310 1.00 0.00 N ATOM 1352 CA SER A 89 -5.311 24.109 10.107 1.00 0.00 C ATOM 1353 C SER A 89 -6.310 24.741 11.077 1.00 0.00 C ATOM 1354 O SER A 89 -5.987 24.952 12.248 1.00 0.00 O ATOM 1355 CB SER A 89 -5.106 22.610 10.347 1.00 0.00 C ATOM 1356 OG SER A 89 -6.146 21.881 9.724 1.00 0.00 O ATOM 0 H SER A 89 -3.346 24.233 10.784 1.00 0.00 H new ATOM 0 HA SER A 89 -5.693 24.209 9.091 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.141 22.297 9.949 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.093 22.402 11.417 1.00 0.00 H new ATOM 0 HG SER A 89 -6.011 20.923 9.878 1.00 0.00 H new ATOM 1362 N SER A 90 -7.496 25.090 10.585 1.00 0.00 N ATOM 1363 CA SER A 90 -8.490 25.842 11.338 1.00 0.00 C ATOM 1364 C SER A 90 -8.917 25.086 12.602 1.00 0.00 C ATOM 1365 O SER A 90 -9.002 23.851 12.584 1.00 0.00 O ATOM 1366 CB SER A 90 -9.705 26.084 10.433 1.00 0.00 C ATOM 1367 OG SER A 90 -9.320 26.293 9.078 1.00 0.00 O ATOM 0 H SER A 90 -7.795 24.854 9.639 1.00 0.00 H new ATOM 0 HA SER A 90 -8.058 26.792 11.653 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.379 25.229 10.492 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.259 26.952 10.792 1.00 0.00 H new ATOM 0 HG SER A 90 -10.119 26.442 8.530 1.00 0.00 H new ATOM 1373 N GLY A 91 -9.267 25.823 13.657 1.00 0.00 N ATOM 1374 CA GLY A 91 -9.755 25.262 14.905 1.00 0.00 C ATOM 1375 C GLY A 91 -8.693 24.414 15.565 1.00 0.00 C ATOM 1376 O GLY A 91 -9.012 23.283 15.984 1.00 0.00 O ATOM 0 H GLY A 91 -9.216 26.842 13.662 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.054 26.066 15.578 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.642 24.658 14.715 1.00 0.00 H new TER 1380 GLY A 91