USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 817 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 52 ASN : amide:sc= -0.0972 K(o=-0.3,f=-2!) USER MOD Set 1.2: A 76 HIS :FLIP no HD1:sc= -0.207 F(o=-1.8,f=-0.3) USER MOD Set 2.1: A 50 THR OG1 : rot -2:sc= 1.14! USER MOD Set 2.2: A 81 LYS NZ :NH3+ -116:sc= 0.41 (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 47:sc= 0.678 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -5.23 K(o=-5.2,f=-8.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -154:sc= -0.174 (180deg=-0.693) USER MOD Single : A 43 GLN : amide:sc=-0.000867 K(o=-0.00087,f=-0.7) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -112:sc= -2.28! (180deg=-5.78!) USER MOD Single : A 48 HIS : no HD1:sc= -3.2! C(o=-3.2!,f=-6!) USER MOD Single : A 49 TYR OH : rot 130:sc= -0.0162 USER MOD Single : A 51 ASN : amide:sc= -1.78! C(o=-1.8!,f=-4.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -25:sc= 0.347 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.902 F(o=-2.7!,f=-0.9) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 91:sc= 0.766 USER MOD Single : A 77 MET CE :methyl -167:sc= -1.81 (180deg=-1.98) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.2!) USER MOD Single : A 89 SER OG : rot 23:sc= 0.261 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.32) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.16 K(o=-0.16,f=-1) USER MOD Single : A 98 SER OG : rot 180:sc=-0.00826 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.290 23.500 -17.390 1.00 0.00 N ATOM 2 CA GLY A 1 8.131 22.918 -18.040 1.00 0.00 C ATOM 3 C GLY A 1 7.729 21.590 -17.429 1.00 0.00 C ATOM 4 O GLY A 1 8.393 20.576 -17.641 1.00 0.00 O ATOM 0 H1 GLY A 1 9.524 24.406 -17.844 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.080 23.661 -16.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.098 22.851 -17.475 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.294 23.613 -17.974 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.345 22.777 -19.099 1.00 0.00 H new ATOM 8 N SER A 2 6.640 21.596 -16.667 1.00 0.00 N ATOM 9 CA SER A 2 6.154 20.384 -16.018 1.00 0.00 C ATOM 10 C SER A 2 5.312 19.553 -16.981 1.00 0.00 C ATOM 11 O SER A 2 4.707 20.085 -17.912 1.00 0.00 O ATOM 12 CB SER A 2 5.331 20.739 -14.778 1.00 0.00 C ATOM 13 OG SER A 2 6.109 21.460 -13.839 1.00 0.00 O ATOM 0 H SER A 2 6.077 22.427 -16.484 1.00 0.00 H new ATOM 0 HA SER A 2 7.018 19.792 -15.714 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.465 21.333 -15.070 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.951 19.827 -14.317 1.00 0.00 H new ATOM 0 HG SER A 2 5.560 21.676 -13.057 1.00 0.00 H new ATOM 19 N SER A 3 5.278 18.245 -16.750 1.00 0.00 N ATOM 20 CA SER A 3 4.513 17.338 -17.598 1.00 0.00 C ATOM 21 C SER A 3 3.479 16.571 -16.780 1.00 0.00 C ATOM 22 O SER A 3 3.710 15.433 -16.375 1.00 0.00 O ATOM 23 CB SER A 3 5.450 16.356 -18.306 1.00 0.00 C ATOM 24 OG SER A 3 6.210 15.612 -17.370 1.00 0.00 O ATOM 0 H SER A 3 5.771 17.789 -15.982 1.00 0.00 H new ATOM 0 HA SER A 3 3.990 17.934 -18.346 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.867 15.677 -18.928 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.119 16.902 -18.971 1.00 0.00 H new ATOM 0 HG SER A 3 5.619 15.270 -16.667 1.00 0.00 H new ATOM 30 N GLY A 4 2.335 17.205 -16.540 1.00 0.00 N ATOM 31 CA GLY A 4 1.281 16.569 -15.771 1.00 0.00 C ATOM 32 C GLY A 4 -0.061 16.618 -16.476 1.00 0.00 C ATOM 33 O GLY A 4 -0.732 17.650 -16.476 1.00 0.00 O ATOM 0 H GLY A 4 2.119 18.148 -16.864 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.550 15.530 -15.581 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.197 17.059 -14.801 1.00 0.00 H new ATOM 37 N SER A 5 -0.452 15.500 -17.079 1.00 0.00 N ATOM 38 CA SER A 5 -1.720 15.421 -17.795 1.00 0.00 C ATOM 39 C SER A 5 -2.846 14.992 -16.859 1.00 0.00 C ATOM 40 O SER A 5 -3.931 15.572 -16.869 1.00 0.00 O ATOM 41 CB SER A 5 -1.610 14.439 -18.963 1.00 0.00 C ATOM 42 OG SER A 5 -0.887 15.008 -20.041 1.00 0.00 O ATOM 0 H SER A 5 0.091 14.636 -17.086 1.00 0.00 H new ATOM 0 HA SER A 5 -1.952 16.412 -18.184 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.115 13.527 -18.630 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.607 14.156 -19.299 1.00 0.00 H new ATOM 0 HG SER A 5 -0.829 14.360 -20.774 1.00 0.00 H new ATOM 48 N SER A 6 -2.579 13.970 -16.052 1.00 0.00 N ATOM 49 CA SER A 6 -3.570 13.460 -15.112 1.00 0.00 C ATOM 50 C SER A 6 -3.134 13.710 -13.672 1.00 0.00 C ATOM 51 O SER A 6 -1.989 14.079 -13.414 1.00 0.00 O ATOM 52 CB SER A 6 -3.793 11.962 -15.336 1.00 0.00 C ATOM 53 OG SER A 6 -2.598 11.231 -15.119 1.00 0.00 O ATOM 0 H SER A 6 -1.685 13.479 -16.030 1.00 0.00 H new ATOM 0 HA SER A 6 -4.506 13.991 -15.287 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.571 11.602 -14.662 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.148 11.792 -16.352 1.00 0.00 H new ATOM 0 HG SER A 6 -2.767 10.277 -15.267 1.00 0.00 H new ATOM 59 N GLY A 7 -4.057 13.507 -12.736 1.00 0.00 N ATOM 60 CA GLY A 7 -3.749 13.716 -11.333 1.00 0.00 C ATOM 61 C GLY A 7 -3.023 12.537 -10.717 1.00 0.00 C ATOM 62 O GLY A 7 -3.373 11.384 -10.967 1.00 0.00 O ATOM 0 H GLY A 7 -5.012 13.202 -12.924 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.136 14.611 -11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.673 13.897 -10.784 1.00 0.00 H new ATOM 66 N ASP A 8 -2.006 12.826 -9.912 1.00 0.00 N ATOM 67 CA ASP A 8 -1.228 11.780 -9.259 1.00 0.00 C ATOM 68 C ASP A 8 -2.055 11.074 -8.190 1.00 0.00 C ATOM 69 O ASP A 8 -3.189 11.463 -7.909 1.00 0.00 O ATOM 70 CB ASP A 8 0.037 12.372 -8.634 1.00 0.00 C ATOM 71 CG ASP A 8 0.659 13.451 -9.498 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.266 14.627 -9.353 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.540 13.119 -10.318 1.00 0.00 O ATOM 0 H ASP A 8 -1.702 13.775 -9.696 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.943 11.048 -10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.205 12.788 -7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.765 11.577 -8.471 1.00 0.00 H new ATOM 78 N VAL A 9 -1.481 10.032 -7.596 1.00 0.00 N ATOM 79 CA VAL A 9 -2.165 9.270 -6.558 1.00 0.00 C ATOM 80 C VAL A 9 -1.453 9.407 -5.217 1.00 0.00 C ATOM 81 O VAL A 9 -0.463 8.723 -4.956 1.00 0.00 O ATOM 82 CB VAL A 9 -2.260 7.778 -6.927 1.00 0.00 C ATOM 83 CG1 VAL A 9 -2.929 6.993 -5.809 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.013 7.601 -8.237 1.00 0.00 C ATOM 0 H VAL A 9 -0.543 9.696 -7.816 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.171 9.680 -6.475 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.250 7.389 -7.058 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.987 5.941 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.346 7.094 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.934 7.381 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.071 6.541 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.020 8.006 -8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.488 8.130 -9.033 1.00 0.00 H new ATOM 94 N ARG A 10 -1.964 10.293 -4.369 1.00 0.00 N ATOM 95 CA ARG A 10 -1.376 10.520 -3.054 1.00 0.00 C ATOM 96 C ARG A 10 -1.556 9.297 -2.160 1.00 0.00 C ATOM 97 O ARG A 10 -2.637 9.064 -1.619 1.00 0.00 O ATOM 98 CB ARG A 10 -2.009 11.746 -2.393 1.00 0.00 C ATOM 99 CG ARG A 10 -1.084 12.460 -1.422 1.00 0.00 C ATOM 100 CD ARG A 10 -1.792 13.608 -0.720 1.00 0.00 C ATOM 101 NE ARG A 10 -1.698 14.854 -1.478 1.00 0.00 N ATOM 102 CZ ARG A 10 -2.517 15.884 -1.301 1.00 0.00 C ATOM 103 NH1 ARG A 10 -3.485 15.819 -0.397 1.00 0.00 N ATOM 104 NH2 ARG A 10 -2.369 16.984 -2.029 1.00 0.00 N ATOM 0 H ARG A 10 -2.784 10.866 -4.569 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.309 10.698 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.319 12.447 -3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.910 11.438 -1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.715 11.751 -0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.215 12.841 -1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.841 13.351 -0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.357 13.752 0.269 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.964 14.937 -2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.602 14.976 0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.112 16.612 -0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.626 17.039 -2.725 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.999 17.775 -1.892 1.00 0.00 H new ATOM 118 N VAL A 11 -0.489 8.517 -2.010 1.00 0.00 N ATOM 119 CA VAL A 11 -0.529 7.318 -1.182 1.00 0.00 C ATOM 120 C VAL A 11 0.184 7.544 0.146 1.00 0.00 C ATOM 121 O VAL A 11 1.303 8.057 0.184 1.00 0.00 O ATOM 122 CB VAL A 11 0.116 6.118 -1.901 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.191 4.916 -0.971 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.658 5.776 -3.165 1.00 0.00 C ATOM 0 H VAL A 11 0.413 8.695 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.580 7.097 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 11 1.132 6.391 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.649 4.078 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.791 5.169 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.814 4.639 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.189 4.926 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.686 5.522 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.655 6.634 -3.837 1.00 0.00 H new ATOM 134 N LYS A 12 -0.471 7.158 1.236 1.00 0.00 N ATOM 135 CA LYS A 12 0.100 7.316 2.568 1.00 0.00 C ATOM 136 C LYS A 12 0.540 5.969 3.135 1.00 0.00 C ATOM 137 O LYS A 12 -0.266 5.049 3.272 1.00 0.00 O ATOM 138 CB LYS A 12 -0.917 7.969 3.507 1.00 0.00 C ATOM 139 CG LYS A 12 -0.317 8.437 4.822 1.00 0.00 C ATOM 140 CD LYS A 12 -1.373 9.044 5.731 1.00 0.00 C ATOM 141 CE LYS A 12 -1.692 10.477 5.335 1.00 0.00 C ATOM 142 NZ LYS A 12 -2.985 10.938 5.915 1.00 0.00 N ATOM 0 H LYS A 12 -1.398 6.733 1.223 1.00 0.00 H new ATOM 0 HA LYS A 12 0.976 7.960 2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.372 8.821 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.716 7.258 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.159 7.596 5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.463 9.173 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.281 8.443 5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.024 9.020 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.889 11.134 5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.734 10.553 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.167 11.919 5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.755 10.327 5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.937 10.890 6.953 1.00 0.00 H new ATOM 156 N PHE A 13 1.823 5.862 3.465 1.00 0.00 N ATOM 157 CA PHE A 13 2.369 4.628 4.017 1.00 0.00 C ATOM 158 C PHE A 13 2.568 4.749 5.526 1.00 0.00 C ATOM 159 O PHE A 13 3.498 5.408 5.988 1.00 0.00 O ATOM 160 CB PHE A 13 3.699 4.287 3.342 1.00 0.00 C ATOM 161 CG PHE A 13 3.595 4.143 1.851 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.698 3.249 1.289 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.394 4.903 1.011 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.601 3.115 -0.083 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.301 4.773 -0.362 1.00 0.00 C ATOM 166 CZ PHE A 13 3.402 3.878 -0.910 1.00 0.00 C ATOM 0 H PHE A 13 2.503 6.615 3.360 1.00 0.00 H new ATOM 0 HA PHE A 13 1.656 3.826 3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.425 5.066 3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.083 3.358 3.763 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.068 2.650 1.930 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.097 5.605 1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.899 2.414 -0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.930 5.370 -1.006 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.326 3.775 -1.982 1.00 0.00 H new ATOM 176 N GLU A 14 1.686 4.107 6.286 1.00 0.00 N ATOM 177 CA GLU A 14 1.763 4.144 7.741 1.00 0.00 C ATOM 178 C GLU A 14 2.292 2.822 8.292 1.00 0.00 C ATOM 179 O GLU A 14 1.755 1.754 7.996 1.00 0.00 O ATOM 180 CB GLU A 14 0.387 4.444 8.340 1.00 0.00 C ATOM 181 CG GLU A 14 0.448 5.192 9.661 1.00 0.00 C ATOM 182 CD GLU A 14 0.492 4.261 10.857 1.00 0.00 C ATOM 183 OE1 GLU A 14 1.492 3.527 11.002 1.00 0.00 O ATOM 184 OE2 GLU A 14 -0.474 4.268 11.649 1.00 0.00 O ATOM 0 H GLU A 14 0.911 3.556 5.918 1.00 0.00 H new ATOM 0 HA GLU A 14 2.455 4.938 8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.190 5.031 7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.148 3.506 8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.330 5.832 9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.421 5.845 9.745 1.00 0.00 H new ATOM 191 N HIS A 15 3.349 2.903 9.094 1.00 0.00 N ATOM 192 CA HIS A 15 3.952 1.714 9.686 1.00 0.00 C ATOM 193 C HIS A 15 4.490 2.015 11.081 1.00 0.00 C ATOM 194 O HIS A 15 5.313 2.914 11.259 1.00 0.00 O ATOM 195 CB HIS A 15 5.078 1.189 8.794 1.00 0.00 C ATOM 196 CG HIS A 15 5.524 -0.196 9.146 1.00 0.00 C ATOM 197 ND1 HIS A 15 5.390 -0.732 10.409 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.105 -1.158 8.391 1.00 0.00 C ATOM 199 CE1 HIS A 15 5.869 -1.963 10.417 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.309 -2.246 9.204 1.00 0.00 N ATOM 0 H HIS A 15 3.805 3.779 9.349 1.00 0.00 H new ATOM 0 HA HIS A 15 3.180 0.949 9.771 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.744 1.202 7.756 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.930 1.865 8.863 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.360 -1.084 7.344 1.00 0.00 H new ATOM 0 HE1 HIS A 15 5.896 -2.625 11.270 1.00 0.00 H new ATOM 0 HE2 HIS A 15 6.732 -3.129 8.918 1.00 0.00 H new ATOM 209 N ARG A 16 4.020 1.259 12.068 1.00 0.00 N ATOM 210 CA ARG A 16 4.453 1.447 13.447 1.00 0.00 C ATOM 211 C ARG A 16 4.426 2.924 13.829 1.00 0.00 C ATOM 212 O ARG A 16 5.424 3.474 14.293 1.00 0.00 O ATOM 213 CB ARG A 16 5.861 0.884 13.643 1.00 0.00 C ATOM 214 CG ARG A 16 5.890 -0.618 13.875 1.00 0.00 C ATOM 215 CD ARG A 16 7.174 -1.050 14.567 1.00 0.00 C ATOM 216 NE ARG A 16 7.170 -0.711 15.988 1.00 0.00 N ATOM 217 CZ ARG A 16 8.272 -0.624 16.725 1.00 0.00 C ATOM 218 NH1 ARG A 16 9.459 -0.849 16.179 1.00 0.00 N ATOM 219 NH2 ARG A 16 8.187 -0.311 18.012 1.00 0.00 N ATOM 0 H ARG A 16 3.339 0.511 11.938 1.00 0.00 H new ATOM 0 HA ARG A 16 3.761 0.909 14.095 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.463 1.119 12.765 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.328 1.383 14.492 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.033 -0.910 14.481 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.797 -1.137 12.921 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.304 -2.126 14.451 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.026 -0.572 14.083 1.00 0.00 H new ATOM 0 HE ARG A 16 6.273 -0.531 16.439 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.528 -1.090 15.190 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.303 -0.781 16.748 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.275 -0.137 18.435 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.033 -0.244 18.578 1.00 0.00 H new ATOM 233 N GLY A 17 3.275 3.561 13.630 1.00 0.00 N ATOM 234 CA GLY A 17 3.140 4.968 13.958 1.00 0.00 C ATOM 235 C GLY A 17 3.671 5.872 12.863 1.00 0.00 C ATOM 236 O GLY A 17 3.090 6.919 12.579 1.00 0.00 O ATOM 0 H GLY A 17 2.435 3.127 13.248 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.089 5.197 14.136 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.673 5.174 14.886 1.00 0.00 H new ATOM 240 N GLU A 18 4.778 5.468 12.249 1.00 0.00 N ATOM 241 CA GLU A 18 5.388 6.252 11.181 1.00 0.00 C ATOM 242 C GLU A 18 4.437 6.388 9.995 1.00 0.00 C ATOM 243 O GLU A 18 3.593 5.523 9.758 1.00 0.00 O ATOM 244 CB GLU A 18 6.697 5.604 10.727 1.00 0.00 C ATOM 245 CG GLU A 18 7.797 5.656 11.773 1.00 0.00 C ATOM 246 CD GLU A 18 9.178 5.452 11.180 1.00 0.00 C ATOM 247 OE1 GLU A 18 9.523 6.170 10.218 1.00 0.00 O ATOM 248 OE2 GLU A 18 9.913 4.573 11.678 1.00 0.00 O ATOM 0 H GLU A 18 5.271 4.603 12.472 1.00 0.00 H new ATOM 0 HA GLU A 18 5.600 7.248 11.571 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.506 4.563 10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.044 6.102 9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.763 6.619 12.282 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.613 4.890 12.527 1.00 0.00 H new ATOM 255 N LYS A 19 4.579 7.481 9.253 1.00 0.00 N ATOM 256 CA LYS A 19 3.734 7.733 8.092 1.00 0.00 C ATOM 257 C LYS A 19 4.507 8.481 7.009 1.00 0.00 C ATOM 258 O LYS A 19 5.138 9.503 7.278 1.00 0.00 O ATOM 259 CB LYS A 19 2.498 8.537 8.499 1.00 0.00 C ATOM 260 CG LYS A 19 2.754 9.514 9.633 1.00 0.00 C ATOM 261 CD LYS A 19 1.854 10.734 9.532 1.00 0.00 C ATOM 262 CE LYS A 19 2.010 11.643 10.742 1.00 0.00 C ATOM 263 NZ LYS A 19 1.304 12.941 10.555 1.00 0.00 N ATOM 0 H LYS A 19 5.272 8.207 9.435 1.00 0.00 H new ATOM 0 HA LYS A 19 3.417 6.771 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.131 9.087 7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.708 7.847 8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.587 9.016 10.588 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.798 9.828 9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.093 11.289 8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.815 10.415 9.447 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.618 11.141 11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.069 11.828 10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.434 13.532 11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.695 13.432 9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.289 12.766 10.408 1.00 0.00 H new ATOM 277 N ARG A 20 4.450 7.966 5.786 1.00 0.00 N ATOM 278 CA ARG A 20 5.145 8.585 4.663 1.00 0.00 C ATOM 279 C ARG A 20 4.248 8.633 3.429 1.00 0.00 C ATOM 280 O ARG A 20 3.861 7.596 2.890 1.00 0.00 O ATOM 281 CB ARG A 20 6.429 7.818 4.344 1.00 0.00 C ATOM 282 CG ARG A 20 7.653 8.350 5.072 1.00 0.00 C ATOM 283 CD ARG A 20 8.079 9.705 4.528 1.00 0.00 C ATOM 284 NE ARG A 20 8.758 10.511 5.539 1.00 0.00 N ATOM 285 CZ ARG A 20 9.259 11.718 5.301 1.00 0.00 C ATOM 286 NH1 ARG A 20 9.157 12.256 4.094 1.00 0.00 N ATOM 287 NH2 ARG A 20 9.863 12.391 6.273 1.00 0.00 N ATOM 0 H ARG A 20 3.930 7.122 5.547 1.00 0.00 H new ATOM 0 HA ARG A 20 5.401 9.606 4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.290 6.769 4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.609 7.859 3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.436 8.436 6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.475 7.641 4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.741 9.561 3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.203 10.242 4.165 1.00 0.00 H new ATOM 0 HE ARG A 20 8.853 10.126 6.479 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.693 11.743 3.345 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.543 13.183 3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.943 11.981 7.204 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.247 13.318 6.089 1.00 0.00 H new ATOM 301 N ILE A 21 3.922 9.843 2.988 1.00 0.00 N ATOM 302 CA ILE A 21 3.072 10.026 1.818 1.00 0.00 C ATOM 303 C ILE A 21 3.907 10.234 0.559 1.00 0.00 C ATOM 304 O ILE A 21 4.805 11.077 0.528 1.00 0.00 O ATOM 305 CB ILE A 21 2.122 11.225 1.994 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.207 11.006 3.201 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.300 11.440 0.732 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.538 12.272 3.690 1.00 0.00 C ATOM 0 H ILE A 21 4.234 10.711 3.423 1.00 0.00 H new ATOM 0 HA ILE A 21 2.480 9.117 1.713 1.00 0.00 H new ATOM 0 HB ILE A 21 2.719 12.119 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.440 10.278 2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.790 10.575 4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.634 12.291 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.967 11.636 -0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.710 10.547 0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.095 12.041 4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.299 12.995 3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.072 12.693 2.891 1.00 0.00 H new ATOM 320 N LEU A 22 3.605 9.462 -0.479 1.00 0.00 N ATOM 321 CA LEU A 22 4.326 9.562 -1.743 1.00 0.00 C ATOM 322 C LEU A 22 3.420 10.101 -2.845 1.00 0.00 C ATOM 323 O LEU A 22 2.267 10.451 -2.597 1.00 0.00 O ATOM 324 CB LEU A 22 4.881 8.195 -2.145 1.00 0.00 C ATOM 325 CG LEU A 22 6.222 7.805 -1.523 1.00 0.00 C ATOM 326 CD1 LEU A 22 7.374 8.365 -2.342 1.00 0.00 C ATOM 327 CD2 LEU A 22 6.303 8.291 -0.083 1.00 0.00 C ATOM 0 H LEU A 22 2.865 8.760 -0.470 1.00 0.00 H new ATOM 0 HA LEU A 22 5.154 10.257 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.146 7.435 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.986 8.173 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 22 6.298 6.718 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.320 8.077 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.326 7.968 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.303 9.452 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.264 8.005 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.204 9.376 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.499 7.841 0.499 1.00 0.00 H new ATOM 339 N GLN A 23 3.951 10.162 -4.062 1.00 0.00 N ATOM 340 CA GLN A 23 3.189 10.657 -5.203 1.00 0.00 C ATOM 341 C GLN A 23 3.431 9.792 -6.436 1.00 0.00 C ATOM 342 O GLN A 23 4.522 9.800 -7.007 1.00 0.00 O ATOM 343 CB GLN A 23 3.564 12.109 -5.502 1.00 0.00 C ATOM 344 CG GLN A 23 2.829 13.118 -4.635 1.00 0.00 C ATOM 345 CD GLN A 23 2.832 14.512 -5.231 1.00 0.00 C ATOM 346 OE1 GLN A 23 3.875 15.024 -5.638 1.00 0.00 O ATOM 347 NE2 GLN A 23 1.660 15.135 -5.286 1.00 0.00 N ATOM 0 H GLN A 23 4.905 9.875 -4.283 1.00 0.00 H new ATOM 0 HA GLN A 23 2.130 10.608 -4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.637 12.235 -5.361 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.353 12.321 -6.550 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.799 12.789 -4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.291 13.148 -3.648 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.820 14.673 -4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.600 16.075 -5.677 1.00 0.00 H new ATOM 356 N PHE A 24 2.408 9.047 -6.841 1.00 0.00 N ATOM 357 CA PHE A 24 2.510 8.176 -8.005 1.00 0.00 C ATOM 358 C PHE A 24 1.612 8.670 -9.135 1.00 0.00 C ATOM 359 O PHE A 24 0.385 8.625 -9.052 1.00 0.00 O ATOM 360 CB PHE A 24 2.134 6.741 -7.630 1.00 0.00 C ATOM 361 CG PHE A 24 2.949 6.184 -6.498 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.532 6.336 -5.186 1.00 0.00 C ATOM 363 CD2 PHE A 24 4.133 5.507 -6.747 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.281 5.825 -4.143 1.00 0.00 C ATOM 365 CE2 PHE A 24 4.886 4.993 -5.708 1.00 0.00 C ATOM 366 CZ PHE A 24 4.459 5.152 -4.404 1.00 0.00 C ATOM 0 H PHE A 24 1.498 9.029 -6.380 1.00 0.00 H new ATOM 0 HA PHE A 24 3.543 8.195 -8.351 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.079 6.710 -7.357 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.256 6.102 -8.504 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.611 6.860 -4.976 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.471 5.380 -7.765 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.946 5.952 -3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.807 4.468 -5.915 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.045 4.751 -3.590 1.00 0.00 H new ATOM 376 N PRO A 25 2.237 9.155 -10.219 1.00 0.00 N ATOM 377 CA PRO A 25 1.515 9.667 -11.387 1.00 0.00 C ATOM 378 C PRO A 25 0.813 8.560 -12.166 1.00 0.00 C ATOM 379 O PRO A 25 1.458 7.762 -12.846 1.00 0.00 O ATOM 380 CB PRO A 25 2.619 10.302 -12.236 1.00 0.00 C ATOM 381 CG PRO A 25 3.862 9.581 -11.842 1.00 0.00 C ATOM 382 CD PRO A 25 3.698 9.238 -10.387 1.00 0.00 C ATOM 0 HA PRO A 25 0.723 10.361 -11.105 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.415 10.187 -13.301 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.703 11.371 -12.041 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.998 8.681 -12.442 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.742 10.205 -11.999 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.185 8.295 -10.139 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.134 10.001 -9.742 1.00 0.00 H new ATOM 390 N ARG A 26 -0.511 8.519 -12.063 1.00 0.00 N ATOM 391 CA ARG A 26 -1.301 7.509 -12.758 1.00 0.00 C ATOM 392 C ARG A 26 -0.874 7.396 -14.219 1.00 0.00 C ATOM 393 O ARG A 26 -0.453 8.369 -14.845 1.00 0.00 O ATOM 394 CB ARG A 26 -2.790 7.848 -12.674 1.00 0.00 C ATOM 395 CG ARG A 26 -3.382 7.654 -11.288 1.00 0.00 C ATOM 396 CD ARG A 26 -4.902 7.637 -11.329 1.00 0.00 C ATOM 397 NE ARG A 26 -5.454 8.931 -11.720 1.00 0.00 N ATOM 398 CZ ARG A 26 -6.756 9.173 -11.827 1.00 0.00 C ATOM 399 NH1 ARG A 26 -7.635 8.213 -11.573 1.00 0.00 N ATOM 400 NH2 ARG A 26 -7.181 10.377 -12.188 1.00 0.00 N ATOM 0 H ARG A 26 -1.060 9.173 -11.505 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.127 6.549 -12.272 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.936 8.884 -12.980 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.336 7.226 -13.383 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.018 6.718 -10.863 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.044 8.455 -10.631 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.237 6.873 -12.031 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.288 7.360 -10.348 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.804 9.691 -11.922 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.312 7.286 -11.295 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.634 8.401 -11.656 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.508 11.118 -12.384 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.181 10.562 -12.270 1.00 0.00 H new ATOM 414 N PRO A 27 -0.986 6.181 -14.776 1.00 0.00 N ATOM 415 CA PRO A 27 -1.486 5.016 -14.040 1.00 0.00 C ATOM 416 C PRO A 27 -0.509 4.543 -12.969 1.00 0.00 C ATOM 417 O PRO A 27 0.706 4.577 -13.165 1.00 0.00 O ATOM 418 CB PRO A 27 -1.644 3.951 -15.128 1.00 0.00 C ATOM 419 CG PRO A 27 -0.678 4.348 -16.190 1.00 0.00 C ATOM 420 CD PRO A 27 -0.632 5.851 -16.166 1.00 0.00 C ATOM 0 HA PRO A 27 -2.409 5.238 -13.504 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.422 2.956 -14.743 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.664 3.924 -15.511 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.308 3.924 -15.999 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.999 3.983 -17.166 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.357 6.227 -16.429 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.337 6.286 -16.874 1.00 0.00 H new ATOM 428 N VAL A 28 -1.047 4.101 -11.837 1.00 0.00 N ATOM 429 CA VAL A 28 -0.222 3.620 -10.735 1.00 0.00 C ATOM 430 C VAL A 28 0.101 2.139 -10.898 1.00 0.00 C ATOM 431 O VAL A 28 -0.726 1.359 -11.369 1.00 0.00 O ATOM 432 CB VAL A 28 -0.916 3.837 -9.378 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.005 3.408 -8.237 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.334 5.291 -9.220 1.00 0.00 C ATOM 0 H VAL A 28 -2.051 4.066 -11.659 1.00 0.00 H new ATOM 0 HA VAL A 28 0.703 4.196 -10.757 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.814 3.219 -9.346 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.513 3.569 -7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.239 2.351 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.912 3.996 -8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.823 5.426 -8.255 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.453 5.931 -9.273 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.026 5.559 -10.018 1.00 0.00 H new ATOM 444 N LYS A 29 1.311 1.756 -10.503 1.00 0.00 N ATOM 445 CA LYS A 29 1.745 0.368 -10.602 1.00 0.00 C ATOM 446 C LYS A 29 2.015 -0.218 -9.220 1.00 0.00 C ATOM 447 O LYS A 29 2.676 0.406 -8.388 1.00 0.00 O ATOM 448 CB LYS A 29 3.005 0.266 -11.466 1.00 0.00 C ATOM 449 CG LYS A 29 2.802 0.739 -12.895 1.00 0.00 C ATOM 450 CD LYS A 29 2.108 -0.317 -13.739 1.00 0.00 C ATOM 451 CE LYS A 29 1.342 0.309 -14.894 1.00 0.00 C ATOM 452 NZ LYS A 29 0.980 -0.699 -15.929 1.00 0.00 N ATOM 0 H LYS A 29 2.009 2.389 -10.111 1.00 0.00 H new ATOM 0 HA LYS A 29 0.944 -0.204 -11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.799 0.855 -11.007 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.343 -0.770 -11.480 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.209 1.654 -12.896 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.767 0.984 -13.339 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.847 -1.017 -14.128 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.423 -0.891 -13.115 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.436 0.782 -14.515 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.946 1.095 -15.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.459 -0.234 -16.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.846 -1.133 -16.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.382 -1.435 -15.502 1.00 0.00 H new ATOM 466 N LEU A 30 1.502 -1.420 -8.981 1.00 0.00 N ATOM 467 CA LEU A 30 1.689 -2.090 -7.699 1.00 0.00 C ATOM 468 C LEU A 30 3.161 -2.100 -7.300 1.00 0.00 C ATOM 469 O LEU A 30 3.505 -1.813 -6.153 1.00 0.00 O ATOM 470 CB LEU A 30 1.158 -3.523 -7.769 1.00 0.00 C ATOM 471 CG LEU A 30 1.345 -4.370 -6.510 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.586 -3.763 -5.340 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.891 -5.802 -6.758 1.00 0.00 C ATOM 0 H LEU A 30 0.954 -1.950 -9.658 1.00 0.00 H new ATOM 0 HA LEU A 30 1.130 -1.538 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.094 -3.484 -8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.648 -4.030 -8.600 1.00 0.00 H new ATOM 0 HG LEU A 30 2.406 -4.385 -6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.731 -4.380 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.958 -2.757 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.476 -3.717 -5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.031 -6.390 -5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.163 -5.807 -7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.480 -6.235 -7.567 1.00 0.00 H new ATOM 485 N GLU A 31 4.026 -2.431 -8.254 1.00 0.00 N ATOM 486 CA GLU A 31 5.461 -2.476 -8.001 1.00 0.00 C ATOM 487 C GLU A 31 5.982 -1.107 -7.570 1.00 0.00 C ATOM 488 O GLU A 31 6.823 -1.004 -6.678 1.00 0.00 O ATOM 489 CB GLU A 31 6.208 -2.948 -9.250 1.00 0.00 C ATOM 490 CG GLU A 31 6.478 -1.838 -10.253 1.00 0.00 C ATOM 491 CD GLU A 31 6.892 -2.368 -11.612 1.00 0.00 C ATOM 492 OE1 GLU A 31 5.999 -2.629 -12.445 1.00 0.00 O ATOM 493 OE2 GLU A 31 8.109 -2.522 -11.842 1.00 0.00 O ATOM 0 H GLU A 31 3.758 -2.672 -9.208 1.00 0.00 H new ATOM 0 HA GLU A 31 5.638 -3.184 -7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.156 -3.393 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.627 -3.732 -9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.582 -1.227 -10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.262 -1.187 -9.867 1.00 0.00 H new ATOM 500 N ASP A 32 5.475 -0.060 -8.212 1.00 0.00 N ATOM 501 CA ASP A 32 5.887 1.302 -7.897 1.00 0.00 C ATOM 502 C ASP A 32 5.624 1.624 -6.429 1.00 0.00 C ATOM 503 O ASP A 32 6.503 2.120 -5.723 1.00 0.00 O ATOM 504 CB ASP A 32 5.150 2.301 -8.791 1.00 0.00 C ATOM 505 CG ASP A 32 5.880 2.559 -10.094 1.00 0.00 C ATOM 506 OD1 ASP A 32 6.407 1.591 -10.682 1.00 0.00 O ATOM 507 OD2 ASP A 32 5.924 3.730 -10.527 1.00 0.00 O ATOM 0 H ASP A 32 4.778 -0.129 -8.954 1.00 0.00 H new ATOM 0 HA ASP A 32 6.958 1.383 -8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.151 1.923 -9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.026 3.242 -8.255 1.00 0.00 H new ATOM 512 N LEU A 33 4.408 1.339 -5.976 1.00 0.00 N ATOM 513 CA LEU A 33 4.027 1.599 -4.592 1.00 0.00 C ATOM 514 C LEU A 33 5.008 0.942 -3.625 1.00 0.00 C ATOM 515 O LEU A 33 5.450 1.562 -2.658 1.00 0.00 O ATOM 516 CB LEU A 33 2.611 1.085 -4.327 1.00 0.00 C ATOM 517 CG LEU A 33 1.471 2.009 -4.757 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.248 1.197 -5.156 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.125 2.984 -3.641 1.00 0.00 C ATOM 0 H LEU A 33 3.669 0.928 -6.547 1.00 0.00 H new ATOM 0 HA LEU A 33 4.052 2.677 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.491 0.130 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.511 0.889 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 33 1.800 2.582 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.553 1.871 -5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.503 0.540 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.083 0.598 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.312 3.634 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.815 2.429 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.000 3.589 -3.402 1.00 0.00 H new ATOM 531 N ARG A 34 5.344 -0.315 -3.894 1.00 0.00 N ATOM 532 CA ARG A 34 6.273 -1.055 -3.049 1.00 0.00 C ATOM 533 C ARG A 34 7.679 -0.471 -3.146 1.00 0.00 C ATOM 534 O ARG A 34 8.358 -0.290 -2.135 1.00 0.00 O ATOM 535 CB ARG A 34 6.294 -2.532 -3.448 1.00 0.00 C ATOM 536 CG ARG A 34 4.916 -3.173 -3.481 1.00 0.00 C ATOM 537 CD ARG A 34 4.997 -4.648 -3.844 1.00 0.00 C ATOM 538 NE ARG A 34 5.317 -5.479 -2.687 1.00 0.00 N ATOM 539 CZ ARG A 34 5.799 -6.714 -2.780 1.00 0.00 C ATOM 540 NH1 ARG A 34 6.016 -7.256 -3.970 1.00 0.00 N ATOM 541 NH2 ARG A 34 6.066 -7.408 -1.681 1.00 0.00 N ATOM 0 H ARG A 34 4.987 -0.842 -4.691 1.00 0.00 H new ATOM 0 HA ARG A 34 5.933 -0.970 -2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.754 -2.627 -4.432 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.924 -3.080 -2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.438 -3.062 -2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.289 -2.653 -4.205 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.046 -4.969 -4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.755 -4.791 -4.614 1.00 0.00 H new ATOM 0 HE ARG A 34 5.162 -5.091 -1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.813 -6.725 -4.817 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.386 -8.204 -4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.901 -6.994 -0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.436 -8.356 -1.754 1.00 0.00 H new ATOM 555 N SER A 35 8.111 -0.180 -4.369 1.00 0.00 N ATOM 556 CA SER A 35 9.438 0.380 -4.598 1.00 0.00 C ATOM 557 C SER A 35 9.703 1.553 -3.659 1.00 0.00 C ATOM 558 O SER A 35 10.681 1.558 -2.913 1.00 0.00 O ATOM 559 CB SER A 35 9.579 0.833 -6.052 1.00 0.00 C ATOM 560 OG SER A 35 10.928 0.762 -6.480 1.00 0.00 O ATOM 0 H SER A 35 7.561 -0.323 -5.216 1.00 0.00 H new ATOM 0 HA SER A 35 10.174 -0.398 -4.394 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.958 0.208 -6.693 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.215 1.855 -6.155 1.00 0.00 H new ATOM 0 HG SER A 35 10.991 1.055 -7.413 1.00 0.00 H new ATOM 566 N LYS A 36 8.823 2.548 -3.703 1.00 0.00 N ATOM 567 CA LYS A 36 8.958 3.727 -2.857 1.00 0.00 C ATOM 568 C LYS A 36 9.026 3.336 -1.385 1.00 0.00 C ATOM 569 O LYS A 36 10.012 3.614 -0.703 1.00 0.00 O ATOM 570 CB LYS A 36 7.786 4.684 -3.089 1.00 0.00 C ATOM 571 CG LYS A 36 7.725 5.241 -4.500 1.00 0.00 C ATOM 572 CD LYS A 36 8.926 6.121 -4.805 1.00 0.00 C ATOM 573 CE LYS A 36 8.577 7.213 -5.805 1.00 0.00 C ATOM 574 NZ LYS A 36 8.531 6.693 -7.199 1.00 0.00 N ATOM 0 H LYS A 36 8.008 2.561 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 36 9.888 4.230 -3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.854 4.162 -2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.859 5.512 -2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.684 4.419 -5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.809 5.818 -4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.290 6.574 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.736 5.509 -5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.611 7.647 -5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.313 8.014 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.290 7.467 -7.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.460 6.302 -7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.810 5.946 -7.267 1.00 0.00 H new ATOM 588 N ALA A 37 7.971 2.688 -0.900 1.00 0.00 N ATOM 589 CA ALA A 37 7.913 2.256 0.491 1.00 0.00 C ATOM 590 C ALA A 37 9.177 1.499 0.883 1.00 0.00 C ATOM 591 O ALA A 37 9.625 1.568 2.028 1.00 0.00 O ATOM 592 CB ALA A 37 6.683 1.390 0.723 1.00 0.00 C ATOM 0 H ALA A 37 7.145 2.451 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 37 7.843 3.144 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.652 1.074 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.785 1.963 0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.730 0.512 0.079 1.00 0.00 H new ATOM 598 N LYS A 38 9.748 0.774 -0.073 1.00 0.00 N ATOM 599 CA LYS A 38 10.961 0.003 0.172 1.00 0.00 C ATOM 600 C LYS A 38 12.186 0.912 0.200 1.00 0.00 C ATOM 601 O LYS A 38 13.163 0.631 0.897 1.00 0.00 O ATOM 602 CB LYS A 38 11.134 -1.071 -0.904 1.00 0.00 C ATOM 603 CG LYS A 38 12.355 -1.950 -0.696 1.00 0.00 C ATOM 604 CD LYS A 38 12.584 -2.875 -1.879 1.00 0.00 C ATOM 605 CE LYS A 38 14.039 -3.308 -1.974 1.00 0.00 C ATOM 606 NZ LYS A 38 14.948 -2.153 -2.214 1.00 0.00 N ATOM 0 H LYS A 38 9.390 0.704 -1.025 1.00 0.00 H new ATOM 0 HA LYS A 38 10.865 -0.479 1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.244 -1.699 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.206 -0.588 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.234 -1.323 -0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.228 -2.542 0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.947 -3.754 -1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.293 -2.369 -2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.329 -3.812 -1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.150 -4.032 -2.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.808 -2.483 -2.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.466 -1.449 -2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.206 -1.719 -1.305 1.00 0.00 H new ATOM 620 N ILE A 39 12.128 2.000 -0.559 1.00 0.00 N ATOM 621 CA ILE A 39 13.231 2.950 -0.619 1.00 0.00 C ATOM 622 C ILE A 39 13.165 3.943 0.537 1.00 0.00 C ATOM 623 O ILE A 39 14.185 4.487 0.961 1.00 0.00 O ATOM 624 CB ILE A 39 13.235 3.727 -1.948 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.333 2.760 -3.129 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.383 4.725 -1.976 1.00 0.00 C ATOM 627 CD1 ILE A 39 12.654 3.266 -4.383 1.00 0.00 C ATOM 0 H ILE A 39 11.328 2.246 -1.142 1.00 0.00 H new ATOM 0 HA ILE A 39 14.151 2.369 -0.545 1.00 0.00 H new ATOM 0 HB ILE A 39 12.299 4.279 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.384 2.570 -3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.889 1.806 -2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.372 5.266 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.272 5.431 -1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.329 4.194 -1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.764 2.529 -5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.595 3.429 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.114 4.205 -4.692 1.00 0.00 H new ATOM 639 N ALA A 40 11.959 4.172 1.045 1.00 0.00 N ATOM 640 CA ALA A 40 11.759 5.096 2.154 1.00 0.00 C ATOM 641 C ALA A 40 12.180 4.464 3.477 1.00 0.00 C ATOM 642 O ALA A 40 12.873 5.087 4.282 1.00 0.00 O ATOM 643 CB ALA A 40 10.305 5.540 2.217 1.00 0.00 C ATOM 0 H ALA A 40 11.105 3.730 0.706 1.00 0.00 H new ATOM 0 HA ALA A 40 12.386 5.971 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.171 6.230 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.036 6.039 1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.665 4.670 2.360 1.00 0.00 H new ATOM 649 N PHE A 41 11.755 3.224 3.696 1.00 0.00 N ATOM 650 CA PHE A 41 12.086 2.508 4.922 1.00 0.00 C ATOM 651 C PHE A 41 13.310 1.619 4.720 1.00 0.00 C ATOM 652 O PHE A 41 14.224 1.606 5.543 1.00 0.00 O ATOM 653 CB PHE A 41 10.897 1.661 5.381 1.00 0.00 C ATOM 654 CG PHE A 41 9.746 2.475 5.900 1.00 0.00 C ATOM 655 CD1 PHE A 41 8.971 3.233 5.036 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.440 2.483 7.251 1.00 0.00 C ATOM 657 CE1 PHE A 41 7.911 3.983 5.511 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.381 3.231 7.731 1.00 0.00 C ATOM 659 CZ PHE A 41 7.616 3.982 6.860 1.00 0.00 C ATOM 0 H PHE A 41 11.181 2.694 3.040 1.00 0.00 H new ATOM 0 HA PHE A 41 12.317 3.245 5.691 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.553 1.050 4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.229 0.976 6.162 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.198 3.238 3.980 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.035 1.898 7.937 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.314 4.569 4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.152 3.228 8.786 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.789 4.567 7.233 1.00 0.00 H new ATOM 669 N GLY A 42 13.319 0.877 3.617 1.00 0.00 N ATOM 670 CA GLY A 42 14.434 -0.005 3.326 1.00 0.00 C ATOM 671 C GLY A 42 14.066 -1.469 3.465 1.00 0.00 C ATOM 672 O GLY A 42 14.885 -2.282 3.893 1.00 0.00 O ATOM 0 H GLY A 42 12.574 0.871 2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.787 0.183 2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.260 0.224 3.999 1.00 0.00 H new ATOM 676 N GLN A 43 12.832 -1.805 3.104 1.00 0.00 N ATOM 677 CA GLN A 43 12.358 -3.181 3.194 1.00 0.00 C ATOM 678 C GLN A 43 11.186 -3.415 2.246 1.00 0.00 C ATOM 679 O GLN A 43 10.448 -2.488 1.914 1.00 0.00 O ATOM 680 CB GLN A 43 11.942 -3.507 4.629 1.00 0.00 C ATOM 681 CG GLN A 43 13.067 -4.085 5.472 1.00 0.00 C ATOM 682 CD GLN A 43 12.629 -4.409 6.887 1.00 0.00 C ATOM 683 OE1 GLN A 43 11.988 -3.596 7.552 1.00 0.00 O ATOM 684 NE2 GLN A 43 12.974 -5.604 7.354 1.00 0.00 N ATOM 0 H GLN A 43 12.143 -1.144 2.747 1.00 0.00 H new ATOM 0 HA GLN A 43 13.175 -3.840 2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.571 -2.600 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.115 -4.216 4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.444 -4.990 4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.893 -3.375 5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.506 -6.247 6.767 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.707 -5.879 8.299 1.00 0.00 H new ATOM 693 N SER A 44 11.021 -4.662 1.814 1.00 0.00 N ATOM 694 CA SER A 44 9.941 -5.017 0.902 1.00 0.00 C ATOM 695 C SER A 44 8.657 -5.317 1.670 1.00 0.00 C ATOM 696 O SER A 44 7.899 -6.216 1.307 1.00 0.00 O ATOM 697 CB SER A 44 10.337 -6.230 0.057 1.00 0.00 C ATOM 698 OG SER A 44 9.712 -6.191 -1.215 1.00 0.00 O ATOM 0 H SER A 44 11.621 -5.442 2.081 1.00 0.00 H new ATOM 0 HA SER A 44 9.760 -4.167 0.244 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.420 -6.253 -0.067 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.056 -7.146 0.576 1.00 0.00 H new ATOM 0 HG SER A 44 9.982 -6.976 -1.736 1.00 0.00 H new ATOM 704 N MET A 45 8.420 -4.555 2.733 1.00 0.00 N ATOM 705 CA MET A 45 7.228 -4.738 3.552 1.00 0.00 C ATOM 706 C MET A 45 5.976 -4.806 2.683 1.00 0.00 C ATOM 707 O MET A 45 5.897 -4.156 1.641 1.00 0.00 O ATOM 708 CB MET A 45 7.099 -3.597 4.564 1.00 0.00 C ATOM 709 CG MET A 45 7.278 -2.218 3.951 1.00 0.00 C ATOM 710 SD MET A 45 7.776 -0.979 5.163 1.00 0.00 S ATOM 711 CE MET A 45 9.142 -1.818 5.962 1.00 0.00 C ATOM 0 H MET A 45 9.037 -3.806 3.047 1.00 0.00 H new ATOM 0 HA MET A 45 7.328 -5.681 4.089 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.118 -3.651 5.037 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.840 -3.735 5.351 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.028 -2.270 3.161 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.343 -1.908 3.483 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.869 -2.062 6.988 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.373 -2.735 5.420 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.017 -1.168 5.965 1.00 0.00 H new ATOM 721 N ASP A 46 5.001 -5.596 3.119 1.00 0.00 N ATOM 722 CA ASP A 46 3.752 -5.748 2.380 1.00 0.00 C ATOM 723 C ASP A 46 2.959 -4.445 2.380 1.00 0.00 C ATOM 724 O ASP A 46 3.224 -3.544 3.177 1.00 0.00 O ATOM 725 CB ASP A 46 2.910 -6.871 2.987 1.00 0.00 C ATOM 726 CG ASP A 46 3.216 -8.222 2.369 1.00 0.00 C ATOM 727 OD1 ASP A 46 3.101 -8.347 1.132 1.00 0.00 O ATOM 728 OD2 ASP A 46 3.568 -9.153 3.123 1.00 0.00 O ATOM 0 H ASP A 46 5.051 -6.141 3.980 1.00 0.00 H new ATOM 0 HA ASP A 46 3.997 -6.004 1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.090 -6.917 4.061 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.853 -6.643 2.851 1.00 0.00 H new ATOM 733 N LEU A 47 1.987 -4.351 1.480 1.00 0.00 N ATOM 734 CA LEU A 47 1.155 -3.157 1.374 1.00 0.00 C ATOM 735 C LEU A 47 -0.309 -3.487 1.646 1.00 0.00 C ATOM 736 O LEU A 47 -0.972 -4.132 0.833 1.00 0.00 O ATOM 737 CB LEU A 47 1.299 -2.532 -0.015 1.00 0.00 C ATOM 738 CG LEU A 47 2.463 -1.557 -0.195 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.791 -2.263 0.034 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.423 -0.929 -1.580 1.00 0.00 C ATOM 0 H LEU A 47 1.755 -5.087 0.813 1.00 0.00 H new ATOM 0 HA LEU A 47 1.493 -2.442 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.408 -3.335 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.373 -2.009 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 47 2.365 -0.763 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.608 -1.554 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.820 -2.665 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.898 -3.078 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.259 -0.238 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.496 -1.711 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.485 -0.388 -1.707 1.00 0.00 H new ATOM 752 N HIS A 48 -0.808 -3.039 2.794 1.00 0.00 N ATOM 753 CA HIS A 48 -2.195 -3.285 3.172 1.00 0.00 C ATOM 754 C HIS A 48 -2.971 -1.975 3.272 1.00 0.00 C ATOM 755 O HIS A 48 -2.741 -1.174 4.178 1.00 0.00 O ATOM 756 CB HIS A 48 -2.258 -4.031 4.505 1.00 0.00 C ATOM 757 CG HIS A 48 -1.783 -5.449 4.421 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.697 -5.836 3.663 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.252 -6.576 5.006 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.520 -7.139 3.785 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.450 -7.612 4.595 1.00 0.00 N ATOM 0 H HIS A 48 -0.273 -2.504 3.478 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.653 -3.901 2.398 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.655 -3.497 5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.285 -4.022 4.869 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.099 -6.647 5.672 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.254 -7.719 3.304 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.555 -8.588 4.870 1.00 0.00 H new ATOM 770 N TYR A 49 -3.889 -1.765 2.335 1.00 0.00 N ATOM 771 CA TYR A 49 -4.697 -0.551 2.316 1.00 0.00 C ATOM 772 C TYR A 49 -6.109 -0.828 2.821 1.00 0.00 C ATOM 773 O TYR A 49 -6.750 -1.798 2.412 1.00 0.00 O ATOM 774 CB TYR A 49 -4.753 0.026 0.900 1.00 0.00 C ATOM 775 CG TYR A 49 -5.975 -0.403 0.120 1.00 0.00 C ATOM 776 CD1 TYR A 49 -6.008 -1.627 -0.538 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.095 0.414 0.039 1.00 0.00 C ATOM 778 CE1 TYR A 49 -7.121 -2.024 -1.253 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.214 0.025 -0.673 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.222 -1.195 -1.317 1.00 0.00 C ATOM 781 OH TYR A 49 -9.333 -1.585 -2.028 1.00 0.00 O ATOM 0 H TYR A 49 -4.092 -2.419 1.579 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.230 0.177 2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.733 1.114 0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.859 -0.280 0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.148 -2.279 -0.489 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.092 1.370 0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.129 -2.978 -1.759 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.077 0.672 -0.725 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.132 -1.477 -1.471 1.00 0.00 H new ATOM 791 N THR A 50 -6.591 0.031 3.714 1.00 0.00 N ATOM 792 CA THR A 50 -7.927 -0.119 4.276 1.00 0.00 C ATOM 793 C THR A 50 -8.934 0.760 3.545 1.00 0.00 C ATOM 794 O THR A 50 -8.787 1.981 3.496 1.00 0.00 O ATOM 795 CB THR A 50 -7.948 0.233 5.775 1.00 0.00 C ATOM 796 OG1 THR A 50 -7.947 1.655 5.944 1.00 0.00 O ATOM 797 CG2 THR A 50 -6.747 -0.368 6.490 1.00 0.00 C ATOM 0 H THR A 50 -6.075 0.838 4.064 1.00 0.00 H new ATOM 0 HA THR A 50 -8.206 -1.165 4.152 1.00 0.00 H new ATOM 0 HB THR A 50 -8.856 -0.184 6.210 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.893 2.089 5.067 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.784 -0.106 7.547 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.766 -1.453 6.385 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.829 0.023 6.051 1.00 0.00 H new ATOM 805 N ASN A 51 -9.959 0.132 2.977 1.00 0.00 N ATOM 806 CA ASN A 51 -10.991 0.859 2.247 1.00 0.00 C ATOM 807 C ASN A 51 -11.823 1.720 3.194 1.00 0.00 C ATOM 808 O ASN A 51 -11.870 2.942 3.058 1.00 0.00 O ATOM 809 CB ASN A 51 -11.899 -0.118 1.498 1.00 0.00 C ATOM 810 CG ASN A 51 -13.179 0.537 1.014 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.368 1.744 1.166 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.066 -0.260 0.429 1.00 0.00 N ATOM 0 H ASN A 51 -10.097 -0.878 3.008 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.499 1.513 1.527 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.360 -0.530 0.645 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.147 -0.954 2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -14.946 0.123 0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.867 -1.255 0.324 1.00 0.00 H new ATOM 819 N ASN A 52 -12.477 1.072 4.153 1.00 0.00 N ATOM 820 CA ASN A 52 -13.306 1.778 5.123 1.00 0.00 C ATOM 821 C ASN A 52 -13.027 1.285 6.539 1.00 0.00 C ATOM 822 O ASN A 52 -12.646 2.062 7.413 1.00 0.00 O ATOM 823 CB ASN A 52 -14.788 1.591 4.789 1.00 0.00 C ATOM 824 CG ASN A 52 -15.265 2.554 3.718 1.00 0.00 C ATOM 825 OD1 ASN A 52 -14.582 3.525 3.392 1.00 0.00 O ATOM 826 ND2 ASN A 52 -16.443 2.288 3.167 1.00 0.00 N ATOM 0 H ASN A 52 -12.449 0.060 4.279 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.059 2.838 5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.956 0.567 4.454 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.382 1.733 5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.817 2.900 2.442 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.974 1.471 3.469 1.00 0.00 H new ATOM 833 N GLU A 53 -13.218 -0.013 6.756 1.00 0.00 N ATOM 834 CA GLU A 53 -12.987 -0.609 8.067 1.00 0.00 C ATOM 835 C GLU A 53 -12.134 -1.869 7.948 1.00 0.00 C ATOM 836 O GLU A 53 -11.365 -2.200 8.851 1.00 0.00 O ATOM 837 CB GLU A 53 -14.318 -0.943 8.742 1.00 0.00 C ATOM 838 CG GLU A 53 -15.379 -1.449 7.779 1.00 0.00 C ATOM 839 CD GLU A 53 -16.365 -2.393 8.440 1.00 0.00 C ATOM 840 OE1 GLU A 53 -15.922 -3.257 9.226 1.00 0.00 O ATOM 841 OE2 GLU A 53 -17.578 -2.269 8.172 1.00 0.00 O ATOM 0 H GLU A 53 -13.532 -0.671 6.042 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.450 0.117 8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.147 -1.697 9.510 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.693 -0.053 9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.919 -0.600 7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.895 -1.960 6.947 1.00 0.00 H new ATOM 848 N LEU A 54 -12.276 -2.569 6.828 1.00 0.00 N ATOM 849 CA LEU A 54 -11.520 -3.794 6.590 1.00 0.00 C ATOM 850 C LEU A 54 -10.136 -3.479 6.032 1.00 0.00 C ATOM 851 O LEU A 54 -9.806 -2.320 5.778 1.00 0.00 O ATOM 852 CB LEU A 54 -12.278 -4.704 5.621 1.00 0.00 C ATOM 853 CG LEU A 54 -13.413 -5.531 6.226 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.089 -6.373 5.156 1.00 0.00 C ATOM 855 CD2 LEU A 54 -12.890 -6.413 7.350 1.00 0.00 C ATOM 0 H LEU A 54 -12.908 -2.309 6.070 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.399 -4.309 7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.690 -4.088 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.564 -5.386 5.161 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.153 -4.847 6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.894 -6.955 5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.499 -5.721 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.359 -7.048 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.712 -6.994 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.130 -7.089 6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.453 -5.788 8.129 1.00 0.00 H new ATOM 867 N VAL A 55 -9.330 -4.519 5.841 1.00 0.00 N ATOM 868 CA VAL A 55 -7.982 -4.354 5.310 1.00 0.00 C ATOM 869 C VAL A 55 -7.769 -5.219 4.073 1.00 0.00 C ATOM 870 O VAL A 55 -8.018 -6.425 4.096 1.00 0.00 O ATOM 871 CB VAL A 55 -6.916 -4.712 6.363 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.519 -4.546 5.786 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.092 -3.858 7.610 1.00 0.00 C ATOM 0 H VAL A 55 -9.587 -5.484 6.046 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.875 -3.304 5.038 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.045 -5.757 6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.779 -4.803 6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.400 -5.204 4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.375 -3.511 5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.331 -4.124 8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.991 -2.805 7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.081 -4.032 8.034 1.00 0.00 H new ATOM 883 N ILE A 56 -7.306 -4.596 2.994 1.00 0.00 N ATOM 884 CA ILE A 56 -7.058 -5.310 1.748 1.00 0.00 C ATOM 885 C ILE A 56 -5.568 -5.354 1.427 1.00 0.00 C ATOM 886 O ILE A 56 -4.963 -4.357 1.033 1.00 0.00 O ATOM 887 CB ILE A 56 -7.807 -4.661 0.569 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.273 -4.422 0.936 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.702 -5.535 -0.671 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.505 -3.130 1.688 1.00 0.00 C ATOM 0 H ILE A 56 -7.095 -3.599 2.958 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.427 -6.326 1.887 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.345 -3.698 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.871 -4.415 0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.628 -5.255 1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.236 -5.063 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.653 -5.658 -0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.141 -6.511 -0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.566 -3.027 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.935 -3.142 2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.182 -2.289 1.075 1.00 0.00 H new ATOM 902 N PRO A 57 -4.962 -6.538 1.596 1.00 0.00 N ATOM 903 CA PRO A 57 -3.535 -6.742 1.328 1.00 0.00 C ATOM 904 C PRO A 57 -3.210 -6.678 -0.160 1.00 0.00 C ATOM 905 O PRO A 57 -3.441 -7.637 -0.898 1.00 0.00 O ATOM 906 CB PRO A 57 -3.269 -8.147 1.874 1.00 0.00 C ATOM 907 CG PRO A 57 -4.589 -8.834 1.812 1.00 0.00 C ATOM 908 CD PRO A 57 -5.622 -7.769 2.062 1.00 0.00 C ATOM 0 HA PRO A 57 -2.919 -5.968 1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.522 -8.669 1.276 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.890 -8.110 2.895 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.740 -9.303 0.840 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.654 -9.624 2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.542 -7.965 1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.889 -7.707 3.117 1.00 0.00 H new ATOM 916 N LEU A 58 -2.673 -5.544 -0.596 1.00 0.00 N ATOM 917 CA LEU A 58 -2.315 -5.355 -1.997 1.00 0.00 C ATOM 918 C LEU A 58 -1.169 -6.278 -2.396 1.00 0.00 C ATOM 919 O LEU A 58 -0.004 -6.002 -2.106 1.00 0.00 O ATOM 920 CB LEU A 58 -1.925 -3.898 -2.253 1.00 0.00 C ATOM 921 CG LEU A 58 -3.079 -2.899 -2.341 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.636 -1.527 -1.857 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.607 -2.819 -3.766 1.00 0.00 C ATOM 0 H LEU A 58 -2.476 -4.741 0.001 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.185 -5.603 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.254 -3.577 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.360 -3.852 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.885 -3.246 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.471 -0.829 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.307 -1.596 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.813 -1.171 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.428 -2.103 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.808 -2.496 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.964 -3.801 -4.077 1.00 0.00 H new ATOM 935 N THR A 59 -1.505 -7.377 -3.065 1.00 0.00 N ATOM 936 CA THR A 59 -0.504 -8.340 -3.505 1.00 0.00 C ATOM 937 C THR A 59 -0.437 -8.407 -5.026 1.00 0.00 C ATOM 938 O THR A 59 0.638 -8.572 -5.604 1.00 0.00 O ATOM 939 CB THR A 59 -0.799 -9.748 -2.953 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.171 -10.088 -3.185 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.499 -9.819 -1.463 1.00 0.00 C ATOM 0 H THR A 59 -2.463 -7.622 -3.314 1.00 0.00 H new ATOM 0 HA THR A 59 0.456 -7.999 -3.117 1.00 0.00 H new ATOM 0 HB THR A 59 -0.156 -10.459 -3.471 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.350 -10.985 -2.833 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.715 -10.822 -1.096 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.553 -9.589 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.120 -9.097 -0.932 1.00 0.00 H new ATOM 949 N THR A 60 -1.592 -8.278 -5.672 1.00 0.00 N ATOM 950 CA THR A 60 -1.664 -8.324 -7.127 1.00 0.00 C ATOM 951 C THR A 60 -2.246 -7.033 -7.690 1.00 0.00 C ATOM 952 O THR A 60 -2.949 -6.303 -6.991 1.00 0.00 O ATOM 953 CB THR A 60 -2.516 -9.512 -7.610 1.00 0.00 C ATOM 954 OG1 THR A 60 -3.865 -9.366 -7.151 1.00 0.00 O ATOM 955 CG2 THR A 60 -1.944 -10.829 -7.106 1.00 0.00 C ATOM 0 H THR A 60 -2.491 -8.141 -5.210 1.00 0.00 H new ATOM 0 HA THR A 60 -0.644 -8.447 -7.490 1.00 0.00 H new ATOM 0 HB THR A 60 -2.502 -9.521 -8.700 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.878 -8.806 -6.347 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.563 -11.654 -7.460 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.928 -10.951 -7.480 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.931 -10.827 -6.016 1.00 0.00 H new ATOM 963 N GLN A 61 -1.951 -6.759 -8.956 1.00 0.00 N ATOM 964 CA GLN A 61 -2.447 -5.554 -9.612 1.00 0.00 C ATOM 965 C GLN A 61 -3.950 -5.402 -9.407 1.00 0.00 C ATOM 966 O GLN A 61 -4.429 -4.336 -9.019 1.00 0.00 O ATOM 967 CB GLN A 61 -2.126 -5.594 -11.107 1.00 0.00 C ATOM 968 CG GLN A 61 -0.797 -4.946 -11.461 1.00 0.00 C ATOM 969 CD GLN A 61 -0.944 -3.488 -11.850 1.00 0.00 C ATOM 970 OE1 GLN A 61 -1.615 -2.714 -11.005 1.00 0.00 O flip ATOM 971 NE2 GLN A 61 -0.459 -3.061 -12.899 1.00 0.00 N flip ATOM 0 H GLN A 61 -1.372 -7.354 -9.548 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.949 -4.695 -9.163 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.115 -6.632 -11.440 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.923 -5.092 -11.655 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.121 -5.025 -10.610 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.338 -5.493 -12.284 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.049 -3.691 -13.520 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.566 -2.077 -13.147 1.00 0.00 H new ATOM 980 N ASP A 62 -4.690 -6.474 -9.669 1.00 0.00 N ATOM 981 CA ASP A 62 -6.139 -6.460 -9.512 1.00 0.00 C ATOM 982 C ASP A 62 -6.545 -5.663 -8.277 1.00 0.00 C ATOM 983 O ASP A 62 -7.446 -4.826 -8.334 1.00 0.00 O ATOM 984 CB ASP A 62 -6.676 -7.889 -9.412 1.00 0.00 C ATOM 985 CG ASP A 62 -6.816 -8.552 -10.768 1.00 0.00 C ATOM 986 OD1 ASP A 62 -5.777 -8.829 -11.403 1.00 0.00 O ATOM 987 OD2 ASP A 62 -7.964 -8.795 -11.194 1.00 0.00 O ATOM 0 H ASP A 62 -4.310 -7.364 -9.991 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.570 -5.979 -10.390 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.007 -8.482 -8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.646 -7.875 -8.916 1.00 0.00 H new ATOM 992 N ASP A 63 -5.874 -5.929 -7.161 1.00 0.00 N ATOM 993 CA ASP A 63 -6.164 -5.236 -5.911 1.00 0.00 C ATOM 994 C ASP A 63 -5.894 -3.741 -6.043 1.00 0.00 C ATOM 995 O ASP A 63 -6.707 -2.913 -5.630 1.00 0.00 O ATOM 996 CB ASP A 63 -5.325 -5.820 -4.773 1.00 0.00 C ATOM 997 CG ASP A 63 -5.607 -7.292 -4.542 1.00 0.00 C ATOM 998 OD1 ASP A 63 -6.783 -7.641 -4.306 1.00 0.00 O ATOM 999 OD2 ASP A 63 -4.652 -8.094 -4.599 1.00 0.00 O ATOM 0 H ASP A 63 -5.126 -6.619 -7.097 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.220 -5.377 -5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.267 -5.687 -5.000 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.526 -5.266 -3.856 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.747 -3.401 -6.621 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.368 -2.004 -6.807 1.00 0.00 C ATOM 1006 C LEU A 64 -5.368 -1.284 -7.705 1.00 0.00 C ATOM 1007 O LEU A 64 -5.966 -0.283 -7.308 1.00 0.00 O ATOM 1008 CB LEU A 64 -2.965 -1.912 -7.409 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.552 -0.538 -7.939 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.649 0.509 -6.841 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.141 -0.589 -8.508 1.00 0.00 C ATOM 0 H LEU A 64 -4.063 -4.073 -6.969 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.370 -1.519 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.245 -2.218 -6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.893 -2.631 -8.225 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.236 -0.258 -8.740 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.351 1.480 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.676 0.564 -6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.989 0.235 -6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.863 0.397 -8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.444 -0.891 -7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.104 -1.309 -9.325 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.546 -1.800 -8.916 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.477 -1.208 -9.870 1.00 0.00 C ATOM 1025 C ASP A 65 -7.844 -0.986 -9.230 1.00 0.00 C ATOM 1026 O ASP A 65 -8.494 0.033 -9.466 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.616 -2.104 -11.102 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.916 -1.315 -12.361 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -8.100 -0.989 -12.590 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -5.966 -1.022 -13.117 1.00 0.00 O ATOM 0 H ASP A 65 -5.058 -2.627 -9.260 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.079 -0.241 -10.177 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.695 -2.670 -11.242 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.412 -2.829 -10.933 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.274 -1.946 -8.419 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.564 -1.856 -7.744 1.00 0.00 C ATOM 1037 C LYS A 66 -9.486 -0.916 -6.545 1.00 0.00 C ATOM 1038 O LYS A 66 -10.509 -0.464 -6.031 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.021 -3.244 -7.288 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.847 -3.983 -8.327 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.841 -4.932 -7.677 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.801 -5.520 -8.700 1.00 0.00 C ATOM 1043 NZ LYS A 66 -12.251 -6.750 -9.334 1.00 0.00 N ATOM 0 H LYS A 66 -7.749 -2.796 -8.213 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.290 -1.455 -8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.145 -3.843 -7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.607 -3.143 -6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.382 -3.263 -8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.186 -4.544 -8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.303 -5.737 -7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.405 -4.401 -6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.749 -5.754 -8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.011 -4.777 -9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.935 -7.120 -10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.359 -6.522 -9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.074 -7.468 -8.603 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.266 -0.625 -6.105 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.055 0.264 -4.969 1.00 0.00 C ATOM 1059 C ALA A 67 -7.917 1.713 -5.424 1.00 0.00 C ATOM 1060 O ALA A 67 -8.308 2.638 -4.712 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.824 -0.165 -4.185 1.00 0.00 C ATOM 0 H ALA A 67 -7.409 -0.992 -6.518 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.928 0.197 -4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.678 0.508 -3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.962 -1.183 -3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.949 -0.128 -4.833 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.359 1.903 -6.616 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.169 3.240 -7.166 1.00 0.00 C ATOM 1069 C VAL A 68 -8.468 3.781 -7.754 1.00 0.00 C ATOM 1070 O VAL A 68 -8.733 4.981 -7.696 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.082 3.249 -8.257 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.869 4.659 -8.787 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.782 2.672 -7.717 1.00 0.00 C ATOM 0 H VAL A 68 -7.031 1.148 -7.219 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.851 3.879 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.416 2.622 -9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.097 4.646 -9.557 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.800 5.032 -9.213 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.556 5.311 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.025 2.686 -8.501 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.441 3.271 -6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.948 1.645 -7.390 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.273 2.887 -8.319 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.544 3.276 -8.918 1.00 0.00 C ATOM 1085 C GLU A 69 -11.555 3.668 -7.844 1.00 0.00 C ATOM 1086 O GLU A 69 -12.296 4.640 -7.998 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.104 2.133 -9.768 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.520 0.918 -8.955 1.00 0.00 C ATOM 1089 CD GLU A 69 -12.154 -0.164 -9.807 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -11.462 -0.696 -10.701 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -13.340 -0.480 -9.581 1.00 0.00 O ATOM 0 H GLU A 69 -9.068 1.889 -8.374 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.365 4.141 -9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.965 2.497 -10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.352 1.832 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.647 0.510 -8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.224 1.226 -8.182 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.579 2.905 -6.757 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.498 3.171 -5.656 1.00 0.00 C ATOM 1100 C LEU A 70 -12.115 4.454 -4.924 1.00 0.00 C ATOM 1101 O LEU A 70 -12.977 5.170 -4.411 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.506 1.996 -4.677 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.492 2.066 -3.535 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -12.034 2.909 -2.390 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.138 0.668 -3.049 1.00 0.00 C ATOM 0 H LEU A 70 -10.973 2.097 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.497 3.296 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.504 1.916 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.327 1.080 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.584 2.539 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.298 2.947 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.236 3.919 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.957 2.465 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.415 0.738 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.038 0.168 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.707 0.096 -3.870 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.819 4.740 -4.882 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.321 5.939 -4.216 1.00 0.00 C ATOM 1119 C LEU A 71 -10.844 7.199 -4.900 1.00 0.00 C ATOM 1120 O LEU A 71 -11.326 8.120 -4.240 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.792 5.945 -4.210 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.126 7.320 -4.147 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.436 8.003 -2.824 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.623 7.195 -4.346 1.00 0.00 C ATOM 0 H LEU A 71 -10.093 4.158 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.682 5.930 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.450 5.358 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.443 5.435 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.528 7.934 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.954 8.980 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.514 8.128 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.063 7.392 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.166 8.183 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.204 6.563 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.421 6.749 -5.320 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.746 7.230 -6.224 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.212 8.375 -6.998 1.00 0.00 C ATOM 1138 C ASP A 72 -12.707 8.597 -6.794 1.00 0.00 C ATOM 1139 O ASP A 72 -13.135 9.677 -6.386 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.912 8.170 -8.483 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.963 9.465 -9.269 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -11.672 10.396 -8.833 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -10.294 9.549 -10.320 1.00 0.00 O ATOM 0 H ASP A 72 -10.348 6.476 -6.784 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.681 9.260 -6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.925 7.721 -8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.631 7.466 -8.902 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.498 7.568 -7.081 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.946 7.651 -6.931 1.00 0.00 C ATOM 1150 C ARG A 73 -15.326 7.945 -5.483 1.00 0.00 C ATOM 1151 O ARG A 73 -16.350 8.573 -5.215 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.603 6.348 -7.388 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.325 5.170 -6.468 1.00 0.00 C ATOM 1154 CD ARG A 73 -15.760 3.856 -7.098 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.209 3.781 -7.263 1.00 0.00 N ATOM 1156 CZ ARG A 73 -18.046 3.482 -6.275 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -17.580 3.233 -5.059 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.352 3.433 -6.504 1.00 0.00 N ATOM 0 H ARG A 73 -13.160 6.667 -7.419 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.305 8.469 -7.556 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.680 6.499 -7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.251 6.106 -8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.260 5.130 -6.238 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.850 5.313 -5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.278 3.743 -8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.423 3.027 -6.476 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.600 3.968 -8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.577 3.271 -4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.225 3.004 -4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.713 3.625 -7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.994 3.203 -5.746 1.00 0.00 H new ATOM 1172 N SER A 74 -14.495 7.485 -4.553 1.00 0.00 N ATOM 1173 CA SER A 74 -14.746 7.695 -3.132 1.00 0.00 C ATOM 1174 C SER A 74 -14.399 9.123 -2.723 1.00 0.00 C ATOM 1175 O SER A 74 -13.249 9.427 -2.405 1.00 0.00 O ATOM 1176 CB SER A 74 -13.935 6.702 -2.297 1.00 0.00 C ATOM 1177 OG SER A 74 -14.563 5.432 -2.261 1.00 0.00 O ATOM 0 H SER A 74 -13.642 6.964 -4.758 1.00 0.00 H new ATOM 0 HA SER A 74 -15.808 7.532 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.933 6.604 -2.715 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.821 7.083 -1.282 1.00 0.00 H new ATOM 0 HG SER A 74 -14.234 4.883 -3.003 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.402 9.995 -2.735 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.204 11.391 -2.365 1.00 0.00 C ATOM 1185 C ILE A 75 -14.658 11.511 -0.946 1.00 0.00 C ATOM 1186 O ILE A 75 -13.585 12.075 -0.728 1.00 0.00 O ATOM 1187 CB ILE A 75 -16.515 12.192 -2.468 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -17.063 12.133 -3.895 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -16.290 13.635 -2.040 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -18.519 12.530 -4.000 1.00 0.00 C ATOM 0 H ILE A 75 -16.359 9.759 -2.997 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.480 11.804 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.250 11.746 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -16.469 12.789 -4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -16.942 11.121 -4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -17.226 14.188 -2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -15.940 13.658 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.542 14.094 -2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -18.840 12.465 -5.040 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -19.124 11.859 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -18.644 13.553 -3.645 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.402 10.976 0.016 1.00 0.00 N ATOM 1203 CA HIS A 76 -14.992 11.022 1.415 1.00 0.00 C ATOM 1204 C HIS A 76 -13.509 10.691 1.557 1.00 0.00 C ATOM 1205 O HIS A 76 -12.752 11.444 2.169 1.00 0.00 O ATOM 1206 CB HIS A 76 -15.826 10.045 2.245 1.00 0.00 C ATOM 1207 CG HIS A 76 -16.020 8.714 1.587 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -16.771 8.356 0.519 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.402 7.561 2.023 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -16.594 7.007 0.331 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -15.763 6.552 1.251 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.292 10.505 -0.147 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.158 12.034 1.784 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.342 9.897 3.211 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.802 10.489 2.442 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.728 7.494 2.864 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.059 6.415 -0.443 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.453 5.585 1.349 1.00 0.00 H new ATOM 1220 N MET A 77 -13.103 9.561 0.988 1.00 0.00 N ATOM 1221 CA MET A 77 -11.710 9.132 1.052 1.00 0.00 C ATOM 1222 C MET A 77 -10.806 10.106 0.303 1.00 0.00 C ATOM 1223 O MET A 77 -10.809 10.152 -0.927 1.00 0.00 O ATOM 1224 CB MET A 77 -11.560 7.726 0.466 1.00 0.00 C ATOM 1225 CG MET A 77 -10.419 6.931 1.078 1.00 0.00 C ATOM 1226 SD MET A 77 -10.656 5.150 0.931 1.00 0.00 S ATOM 1227 CE MET A 77 -9.336 4.725 -0.203 1.00 0.00 C ATOM 0 H MET A 77 -13.717 8.926 0.478 1.00 0.00 H new ATOM 0 HA MET A 77 -11.409 9.116 2.099 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.492 7.179 0.612 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.401 7.805 -0.610 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.485 7.211 0.591 1.00 0.00 H new ATOM 0 HG3 MET A 77 -10.321 7.195 2.131 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.487 3.711 -0.573 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.338 5.421 -1.041 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.379 4.784 0.315 1.00 0.00 H new ATOM 1237 N LYS A 78 -10.034 10.885 1.053 1.00 0.00 N ATOM 1238 CA LYS A 78 -9.124 11.859 0.462 1.00 0.00 C ATOM 1239 C LYS A 78 -7.990 11.161 -0.283 1.00 0.00 C ATOM 1240 O LYS A 78 -7.755 11.424 -1.462 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.550 12.774 1.545 1.00 0.00 C ATOM 1242 CG LYS A 78 -9.601 13.608 2.257 1.00 0.00 C ATOM 1243 CD LYS A 78 -8.973 14.747 3.042 1.00 0.00 C ATOM 1244 CE LYS A 78 -10.026 15.577 3.759 1.00 0.00 C ATOM 1245 NZ LYS A 78 -10.344 15.027 5.106 1.00 0.00 N ATOM 0 H LYS A 78 -10.020 10.861 2.073 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.688 12.460 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.022 12.166 2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.814 13.440 1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.302 14.012 1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.175 12.973 2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.269 14.344 3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.403 15.385 2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.673 16.603 3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.934 15.610 3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.066 15.621 5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.705 14.057 5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.483 15.019 5.690 1.00 0.00 H new ATOM 1259 N SER A 79 -7.291 10.270 0.413 1.00 0.00 N ATOM 1260 CA SER A 79 -6.180 9.536 -0.182 1.00 0.00 C ATOM 1261 C SER A 79 -6.296 8.043 0.112 1.00 0.00 C ATOM 1262 O SER A 79 -7.182 7.611 0.850 1.00 0.00 O ATOM 1263 CB SER A 79 -4.848 10.070 0.347 1.00 0.00 C ATOM 1264 OG SER A 79 -4.849 10.131 1.763 1.00 0.00 O ATOM 0 H SER A 79 -7.474 10.039 1.389 1.00 0.00 H new ATOM 0 HA SER A 79 -6.218 9.680 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.035 9.428 0.008 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.662 11.063 -0.063 1.00 0.00 H new ATOM 0 HG SER A 79 -3.986 10.474 2.076 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.395 7.261 -0.472 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.395 5.816 -0.274 1.00 0.00 C ATOM 1272 C LEU A 80 -4.468 5.423 0.872 1.00 0.00 C ATOM 1273 O LEU A 80 -3.260 5.273 0.685 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.964 5.106 -1.559 1.00 0.00 C ATOM 1275 CG LEU A 80 -5.161 3.589 -1.586 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.605 3.245 -1.915 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -4.215 2.947 -2.590 1.00 0.00 C ATOM 0 H LEU A 80 -4.656 7.603 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.409 5.509 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.517 5.539 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.909 5.318 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.931 3.193 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.727 2.162 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.263 3.674 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.862 3.653 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.369 1.868 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.413 3.347 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.184 3.165 -2.310 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.042 5.256 2.059 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.269 4.878 3.236 1.00 0.00 C ATOM 1291 C LYS A 81 -3.608 3.517 3.039 1.00 0.00 C ATOM 1292 O LYS A 81 -4.231 2.581 2.537 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.169 4.844 4.473 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.460 4.368 5.729 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.076 4.971 6.980 1.00 0.00 C ATOM 1296 CE LYS A 81 -6.196 4.098 7.526 1.00 0.00 C ATOM 1297 NZ LYS A 81 -7.518 4.465 6.947 1.00 0.00 N ATOM 0 H LYS A 81 -6.040 5.377 2.231 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.488 5.624 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.569 5.843 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.019 4.190 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.510 3.281 5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.405 4.637 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.306 5.096 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.465 5.964 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.981 3.052 7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.235 4.194 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.142 4.817 7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.389 5.207 6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.948 3.628 6.505 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.345 3.415 3.437 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.602 2.168 3.306 1.00 0.00 C ATOM 1313 C ILE A 82 -0.957 1.770 4.629 1.00 0.00 C ATOM 1314 O ILE A 82 -0.519 2.624 5.401 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.508 2.275 2.227 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.121 2.683 0.886 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.238 0.956 2.096 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.026 1.627 0.290 1.00 0.00 C ATOM 0 H ILE A 82 -1.815 4.181 3.853 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.320 1.403 3.010 1.00 0.00 H new ATOM 0 HB ILE A 82 0.204 3.044 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.689 3.603 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.319 2.903 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.008 1.048 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.703 0.705 3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.462 0.169 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.425 1.984 -0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.457 0.712 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.848 1.423 0.976 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.901 0.468 4.886 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.308 -0.045 6.116 1.00 0.00 C ATOM 1332 C LEU A 83 0.784 -1.066 5.810 1.00 0.00 C ATOM 1333 O LEU A 83 0.497 -2.215 5.472 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.384 -0.681 6.998 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.329 0.289 7.708 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.615 0.988 8.853 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -2.887 1.306 6.724 1.00 0.00 C ATOM 0 H LEU A 83 -1.259 -0.252 4.259 1.00 0.00 H new ATOM 0 HA LEU A 83 0.142 0.792 6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.981 -1.353 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.891 -1.295 7.752 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.161 -0.281 8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.303 1.674 9.346 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.266 0.246 9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.763 1.546 8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.557 1.988 7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.067 1.871 6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.437 0.788 5.938 1.00 0.00 H new ATOM 1349 N LEU A 84 2.036 -0.639 5.933 1.00 0.00 N ATOM 1350 CA LEU A 84 3.172 -1.517 5.672 1.00 0.00 C ATOM 1351 C LEU A 84 3.362 -2.514 6.810 1.00 0.00 C ATOM 1352 O LEU A 84 3.307 -2.149 7.985 1.00 0.00 O ATOM 1353 CB LEU A 84 4.446 -0.692 5.482 1.00 0.00 C ATOM 1354 CG LEU A 84 4.336 0.504 4.536 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.433 1.517 4.826 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.402 0.045 3.087 1.00 0.00 C ATOM 0 H LEU A 84 2.290 0.309 6.211 1.00 0.00 H new ATOM 0 HA LEU A 84 2.968 -2.073 4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.769 -0.329 6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.230 -1.352 5.111 1.00 0.00 H new ATOM 0 HG LEU A 84 3.372 0.986 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.339 2.361 4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.340 1.869 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.407 1.047 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.322 0.909 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.351 -0.461 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.580 -0.642 2.885 1.00 0.00 H new ATOM 1368 N VAL A 85 3.589 -3.774 6.454 1.00 0.00 N ATOM 1369 CA VAL A 85 3.792 -4.824 7.446 1.00 0.00 C ATOM 1370 C VAL A 85 5.086 -5.586 7.182 1.00 0.00 C ATOM 1371 O VAL A 85 5.285 -6.136 6.099 1.00 0.00 O ATOM 1372 CB VAL A 85 2.616 -5.819 7.458 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.876 -6.941 8.452 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.314 -5.101 7.780 1.00 0.00 C ATOM 0 H VAL A 85 3.637 -4.093 5.486 1.00 0.00 H new ATOM 0 HA VAL A 85 3.854 -4.334 8.418 1.00 0.00 H new ATOM 0 HB VAL A 85 2.525 -6.260 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.035 -7.634 8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.786 -7.472 8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.994 -6.522 9.451 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.494 -5.819 7.784 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.390 -4.632 8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.124 -4.337 7.026 1.00 0.00 H new ATOM 1384 N ILE A 86 5.962 -5.615 8.180 1.00 0.00 N ATOM 1385 CA ILE A 86 7.237 -6.312 8.057 1.00 0.00 C ATOM 1386 C ILE A 86 7.036 -7.743 7.572 1.00 0.00 C ATOM 1387 O ILE A 86 6.608 -8.612 8.330 1.00 0.00 O ATOM 1388 CB ILE A 86 7.996 -6.338 9.397 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.165 -4.917 9.940 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.350 -7.009 9.225 1.00 0.00 C ATOM 1391 CD1 ILE A 86 8.892 -3.990 8.991 1.00 0.00 C ATOM 0 H ILE A 86 5.813 -5.164 9.083 1.00 0.00 H new ATOM 0 HA ILE A 86 7.828 -5.762 7.325 1.00 0.00 H new ATOM 0 HB ILE A 86 7.415 -6.915 10.116 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.182 -4.501 10.159 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.710 -4.959 10.883 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.875 -7.020 10.180 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.207 -8.032 8.878 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.940 -6.456 8.494 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.975 -3.001 9.441 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.889 -4.383 8.791 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.336 -3.917 8.056 1.00 0.00 H new ATOM 1403 N ASN A 87 7.351 -7.982 6.302 1.00 0.00 N ATOM 1404 CA ASN A 87 7.206 -9.309 5.715 1.00 0.00 C ATOM 1405 C ASN A 87 8.307 -10.244 6.207 1.00 0.00 C ATOM 1406 O ASN A 87 9.475 -10.084 5.854 1.00 0.00 O ATOM 1407 CB ASN A 87 7.241 -9.220 4.188 1.00 0.00 C ATOM 1408 CG ASN A 87 6.460 -10.339 3.526 1.00 0.00 C ATOM 1409 OD1 ASN A 87 5.855 -11.172 4.201 1.00 0.00 O ATOM 1410 ND2 ASN A 87 6.471 -10.363 2.199 1.00 0.00 N ATOM 0 H ASN A 87 7.708 -7.274 5.661 1.00 0.00 H new ATOM 0 HA ASN A 87 6.243 -9.714 6.027 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.832 -8.260 3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.276 -9.253 3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.964 -11.093 1.698 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.986 -9.652 1.680 1.00 0.00 H new ATOM 1417 N GLY A 88 7.925 -11.221 7.024 1.00 0.00 N ATOM 1418 CA GLY A 88 8.891 -12.168 7.550 1.00 0.00 C ATOM 1419 C GLY A 88 9.847 -12.672 6.487 1.00 0.00 C ATOM 1420 O GLY A 88 11.061 -12.516 6.610 1.00 0.00 O ATOM 0 H GLY A 88 6.964 -11.374 7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.460 -11.695 8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.363 -13.014 7.990 1.00 0.00 H new ATOM 1424 N SER A 89 9.298 -13.282 5.441 1.00 0.00 N ATOM 1425 CA SER A 89 10.111 -13.817 4.355 1.00 0.00 C ATOM 1426 C SER A 89 9.394 -13.667 3.016 1.00 0.00 C ATOM 1427 O SER A 89 8.240 -14.069 2.867 1.00 0.00 O ATOM 1428 CB SER A 89 10.436 -15.290 4.611 1.00 0.00 C ATOM 1429 OG SER A 89 9.267 -16.089 4.546 1.00 0.00 O ATOM 0 H SER A 89 8.294 -13.418 5.323 1.00 0.00 H new ATOM 0 HA SER A 89 11.041 -13.249 4.315 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.160 -15.639 3.875 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.900 -15.398 5.591 1.00 0.00 H new ATOM 0 HG SER A 89 8.584 -15.627 4.017 1.00 0.00 H new ATOM 1435 N THR A 90 10.088 -13.086 2.043 1.00 0.00 N ATOM 1436 CA THR A 90 9.520 -12.881 0.716 1.00 0.00 C ATOM 1437 C THR A 90 10.471 -13.368 -0.371 1.00 0.00 C ATOM 1438 O THR A 90 11.687 -13.378 -0.184 1.00 0.00 O ATOM 1439 CB THR A 90 9.193 -11.396 0.468 1.00 0.00 C ATOM 1440 OG1 THR A 90 8.541 -11.243 -0.798 1.00 0.00 O ATOM 1441 CG2 THR A 90 10.457 -10.551 0.499 1.00 0.00 C ATOM 0 H THR A 90 11.045 -12.749 2.149 1.00 0.00 H new ATOM 0 HA THR A 90 8.598 -13.461 0.675 1.00 0.00 H new ATOM 0 HB THR A 90 8.528 -11.055 1.262 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.335 -10.297 -0.948 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.201 -9.507 0.321 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.935 -10.647 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.143 -10.893 -0.276 1.00 0.00 H new ATOM 1449 N GLN A 91 9.908 -13.772 -1.505 1.00 0.00 N ATOM 1450 CA GLN A 91 10.708 -14.261 -2.622 1.00 0.00 C ATOM 1451 C GLN A 91 11.172 -13.108 -3.506 1.00 0.00 C ATOM 1452 O GLN A 91 10.610 -12.014 -3.461 1.00 0.00 O ATOM 1453 CB GLN A 91 9.905 -15.264 -3.452 1.00 0.00 C ATOM 1454 CG GLN A 91 9.454 -16.483 -2.664 1.00 0.00 C ATOM 1455 CD GLN A 91 8.141 -16.257 -1.940 1.00 0.00 C ATOM 1456 OE1 GLN A 91 7.089 -16.124 -2.566 1.00 0.00 O ATOM 1457 NE2 GLN A 91 8.195 -16.213 -0.614 1.00 0.00 N ATOM 0 H GLN A 91 8.902 -13.770 -1.675 1.00 0.00 H new ATOM 0 HA GLN A 91 11.588 -14.759 -2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.029 -14.763 -3.864 1.00 0.00 H new ATOM 0 HB3 GLN A 91 10.511 -15.592 -4.297 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.350 -17.331 -3.341 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.224 -16.747 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.089 -16.328 -0.136 1.00 0.00 H new ATOM 0 HE22 GLN A 91 7.343 -16.064 -0.074 1.00 0.00 H new ATOM 1466 N ALA A 92 12.202 -13.360 -4.307 1.00 0.00 N ATOM 1467 CA ALA A 92 12.740 -12.343 -5.202 1.00 0.00 C ATOM 1468 C ALA A 92 12.478 -12.702 -6.661 1.00 0.00 C ATOM 1469 O ALA A 92 11.872 -11.927 -7.403 1.00 0.00 O ATOM 1470 CB ALA A 92 14.231 -12.163 -4.961 1.00 0.00 C ATOM 0 H ALA A 92 12.680 -14.260 -4.354 1.00 0.00 H new ATOM 0 HA ALA A 92 12.233 -11.402 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 92 14.619 -11.401 -5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 92 14.398 -11.853 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.746 -13.106 -5.144 1.00 0.00 H new ATOM 1476 N THR A 93 12.939 -13.881 -7.068 1.00 0.00 N ATOM 1477 CA THR A 93 12.756 -14.341 -8.439 1.00 0.00 C ATOM 1478 C THR A 93 12.585 -15.855 -8.492 1.00 0.00 C ATOM 1479 O THR A 93 13.179 -16.584 -7.699 1.00 0.00 O ATOM 1480 CB THR A 93 13.946 -13.939 -9.330 1.00 0.00 C ATOM 1481 OG1 THR A 93 13.772 -14.469 -10.649 1.00 0.00 O ATOM 1482 CG2 THR A 93 15.256 -14.444 -8.744 1.00 0.00 C ATOM 0 H THR A 93 13.442 -14.534 -6.467 1.00 0.00 H new ATOM 0 HA THR A 93 11.852 -13.862 -8.815 1.00 0.00 H new ATOM 0 HB THR A 93 13.983 -12.851 -9.378 1.00 0.00 H new ATOM 0 HG1 THR A 93 14.532 -14.207 -11.210 1.00 0.00 H new ATOM 0 HG21 THR A 93 16.082 -14.148 -9.391 1.00 0.00 H new ATOM 0 HG22 THR A 93 15.400 -14.015 -7.752 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.226 -15.531 -8.669 1.00 0.00 H new ATOM 1490 N ASN A 94 11.769 -16.321 -9.432 1.00 0.00 N ATOM 1491 CA ASN A 94 11.520 -17.749 -9.589 1.00 0.00 C ATOM 1492 C ASN A 94 11.703 -18.177 -11.042 1.00 0.00 C ATOM 1493 O ASN A 94 10.740 -18.238 -11.808 1.00 0.00 O ATOM 1494 CB ASN A 94 10.106 -18.096 -9.117 1.00 0.00 C ATOM 1495 CG ASN A 94 9.926 -17.885 -7.626 1.00 0.00 C ATOM 1496 OD1 ASN A 94 10.900 -17.780 -6.881 1.00 0.00 O ATOM 1497 ND2 ASN A 94 8.675 -17.822 -7.185 1.00 0.00 N ATOM 0 H ASN A 94 11.269 -15.730 -10.096 1.00 0.00 H new ATOM 0 HA ASN A 94 12.243 -18.288 -8.977 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.385 -17.483 -9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.889 -19.135 -9.363 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.491 -17.681 -6.192 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.898 -17.914 -7.840 1.00 0.00 H new ATOM 1504 N LEU A 95 12.943 -18.472 -11.414 1.00 0.00 N ATOM 1505 CA LEU A 95 13.253 -18.896 -12.775 1.00 0.00 C ATOM 1506 C LEU A 95 14.598 -19.613 -12.830 1.00 0.00 C ATOM 1507 O LEU A 95 15.589 -19.135 -12.280 1.00 0.00 O ATOM 1508 CB LEU A 95 13.268 -17.689 -13.715 1.00 0.00 C ATOM 1509 CG LEU A 95 13.796 -17.944 -15.127 1.00 0.00 C ATOM 1510 CD1 LEU A 95 13.103 -17.034 -16.129 1.00 0.00 C ATOM 1511 CD2 LEU A 95 15.304 -17.744 -15.177 1.00 0.00 C ATOM 0 H LEU A 95 13.751 -18.426 -10.793 1.00 0.00 H new ATOM 0 HA LEU A 95 12.478 -19.591 -13.097 1.00 0.00 H new ATOM 0 HB2 LEU A 95 12.252 -17.302 -13.793 1.00 0.00 H new ATOM 0 HB3 LEU A 95 13.873 -16.906 -13.258 1.00 0.00 H new ATOM 0 HG LEU A 95 13.577 -18.978 -15.394 1.00 0.00 H new ATOM 0 HD11 LEU A 95 13.492 -17.230 -17.128 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.030 -17.226 -16.113 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.290 -15.993 -15.865 1.00 0.00 H new ATOM 0 HD21 LEU A 95 15.662 -17.930 -16.190 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.545 -16.721 -14.889 1.00 0.00 H new ATOM 0 HD23 LEU A 95 15.786 -18.438 -14.489 1.00 0.00 H new ATOM 1523 N GLU A 96 14.623 -20.762 -13.498 1.00 0.00 N ATOM 1524 CA GLU A 96 15.847 -21.545 -13.624 1.00 0.00 C ATOM 1525 C GLU A 96 16.028 -22.044 -15.055 1.00 0.00 C ATOM 1526 O GLU A 96 15.363 -22.980 -15.501 1.00 0.00 O ATOM 1527 CB GLU A 96 15.824 -22.730 -12.658 1.00 0.00 C ATOM 1528 CG GLU A 96 14.690 -23.707 -12.920 1.00 0.00 C ATOM 1529 CD GLU A 96 14.447 -24.646 -11.755 1.00 0.00 C ATOM 1530 OE1 GLU A 96 15.122 -25.695 -11.688 1.00 0.00 O ATOM 1531 OE2 GLU A 96 13.583 -24.333 -10.910 1.00 0.00 O ATOM 0 H GLU A 96 13.811 -21.171 -13.960 1.00 0.00 H new ATOM 0 HA GLU A 96 16.688 -20.899 -13.373 1.00 0.00 H new ATOM 0 HB2 GLU A 96 16.773 -23.262 -12.726 1.00 0.00 H new ATOM 0 HB3 GLU A 96 15.741 -22.355 -11.638 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.777 -23.150 -13.129 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.918 -24.292 -13.811 1.00 0.00 H new ATOM 1538 N PRO A 97 16.949 -21.406 -15.792 1.00 0.00 N ATOM 1539 CA PRO A 97 17.239 -21.768 -17.183 1.00 0.00 C ATOM 1540 C PRO A 97 17.941 -23.117 -17.297 1.00 0.00 C ATOM 1541 O PRO A 97 18.747 -23.482 -16.441 1.00 0.00 O ATOM 1542 CB PRO A 97 18.163 -20.643 -17.656 1.00 0.00 C ATOM 1543 CG PRO A 97 18.805 -20.131 -16.413 1.00 0.00 C ATOM 1544 CD PRO A 97 17.778 -20.282 -15.325 1.00 0.00 C ATOM 0 HA PRO A 97 16.330 -21.870 -17.776 1.00 0.00 H new ATOM 0 HB2 PRO A 97 18.907 -21.012 -18.362 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.603 -19.858 -18.164 1.00 0.00 H new ATOM 0 HG2 PRO A 97 19.708 -20.695 -16.179 1.00 0.00 H new ATOM 0 HG3 PRO A 97 19.102 -19.088 -16.528 1.00 0.00 H new ATOM 0 HD2 PRO A 97 18.241 -20.497 -14.362 1.00 0.00 H new ATOM 0 HD3 PRO A 97 17.189 -19.373 -15.199 1.00 0.00 H new ATOM 1552 N SER A 98 17.630 -23.853 -18.359 1.00 0.00 N ATOM 1553 CA SER A 98 18.229 -25.163 -18.583 1.00 0.00 C ATOM 1554 C SER A 98 19.172 -25.132 -19.782 1.00 0.00 C ATOM 1555 O SER A 98 19.045 -24.284 -20.664 1.00 0.00 O ATOM 1556 CB SER A 98 17.139 -26.214 -18.804 1.00 0.00 C ATOM 1557 OG SER A 98 17.703 -27.499 -19.004 1.00 0.00 O ATOM 0 H SER A 98 16.967 -23.564 -19.078 1.00 0.00 H new ATOM 0 HA SER A 98 18.806 -25.428 -17.697 1.00 0.00 H new ATOM 0 HB2 SER A 98 16.471 -26.236 -17.943 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.535 -25.940 -19.669 1.00 0.00 H new ATOM 0 HG SER A 98 16.986 -28.153 -19.141 1.00 0.00 H new ATOM 1563 N GLY A 99 20.120 -26.064 -19.805 1.00 0.00 N ATOM 1564 CA GLY A 99 21.072 -26.127 -20.899 1.00 0.00 C ATOM 1565 C GLY A 99 21.251 -27.535 -21.432 1.00 0.00 C ATOM 1566 O GLY A 99 22.279 -28.177 -21.217 1.00 0.00 O ATOM 0 H GLY A 99 20.246 -26.776 -19.086 1.00 0.00 H new ATOM 0 HA2 GLY A 99 20.736 -25.476 -21.706 1.00 0.00 H new ATOM 0 HA3 GLY A 99 22.035 -25.745 -20.561 1.00 0.00 H new ATOM 1570 N PRO A 100 20.231 -28.036 -22.145 1.00 0.00 N ATOM 1571 CA PRO A 100 20.257 -29.383 -22.723 1.00 0.00 C ATOM 1572 C PRO A 100 21.248 -29.500 -23.876 1.00 0.00 C ATOM 1573 O PRO A 100 21.680 -30.598 -24.227 1.00 0.00 O ATOM 1574 CB PRO A 100 18.825 -29.579 -23.228 1.00 0.00 C ATOM 1575 CG PRO A 100 18.317 -28.200 -23.473 1.00 0.00 C ATOM 1576 CD PRO A 100 18.975 -27.327 -22.441 1.00 0.00 C ATOM 0 HA PRO A 100 20.575 -30.132 -21.998 1.00 0.00 H new ATOM 0 HB2 PRO A 100 18.805 -30.176 -24.140 1.00 0.00 H new ATOM 0 HB3 PRO A 100 18.214 -30.101 -22.492 1.00 0.00 H new ATOM 0 HG2 PRO A 100 18.564 -27.867 -24.481 1.00 0.00 H new ATOM 0 HG3 PRO A 100 17.232 -28.162 -23.382 1.00 0.00 H new ATOM 0 HD2 PRO A 100 19.161 -26.323 -22.823 1.00 0.00 H new ATOM 0 HD3 PRO A 100 18.355 -27.220 -21.551 1.00 0.00 H new ATOM 1584 N SER A 101 21.605 -28.361 -24.461 1.00 0.00 N ATOM 1585 CA SER A 101 22.544 -28.336 -25.577 1.00 0.00 C ATOM 1586 C SER A 101 23.966 -28.609 -25.097 1.00 0.00 C ATOM 1587 O SER A 101 24.286 -28.407 -23.925 1.00 0.00 O ATOM 1588 CB SER A 101 22.484 -26.985 -26.291 1.00 0.00 C ATOM 1589 OG SER A 101 21.224 -26.789 -26.908 1.00 0.00 O ATOM 0 H SER A 101 21.258 -27.444 -24.181 1.00 0.00 H new ATOM 0 HA SER A 101 22.259 -29.121 -26.277 1.00 0.00 H new ATOM 0 HB2 SER A 101 22.671 -26.184 -25.576 1.00 0.00 H new ATOM 0 HB3 SER A 101 23.272 -26.932 -27.042 1.00 0.00 H new ATOM 0 HG SER A 101 21.211 -25.917 -27.356 1.00 0.00 H new ATOM 1595 N SER A 102 24.815 -29.068 -26.010 1.00 0.00 N ATOM 1596 CA SER A 102 26.202 -29.372 -25.681 1.00 0.00 C ATOM 1597 C SER A 102 26.862 -28.194 -24.970 1.00 0.00 C ATOM 1598 O SER A 102 27.563 -28.368 -23.974 1.00 0.00 O ATOM 1599 CB SER A 102 26.985 -29.722 -26.948 1.00 0.00 C ATOM 1600 OG SER A 102 26.811 -28.730 -27.945 1.00 0.00 O ATOM 0 H SER A 102 24.566 -29.238 -26.985 1.00 0.00 H new ATOM 0 HA SER A 102 26.210 -30.231 -25.010 1.00 0.00 H new ATOM 0 HB2 SER A 102 28.044 -29.820 -26.709 1.00 0.00 H new ATOM 0 HB3 SER A 102 26.653 -30.688 -27.329 1.00 0.00 H new ATOM 0 HG SER A 102 27.323 -28.976 -28.744 1.00 0.00 H new ATOM 1606 N GLY A 103 26.633 -26.992 -25.492 1.00 0.00 N ATOM 1607 CA GLY A 103 27.212 -25.802 -24.896 1.00 0.00 C ATOM 1608 C GLY A 103 28.565 -25.458 -25.487 1.00 0.00 C ATOM 1609 O GLY A 103 29.602 -25.757 -24.896 1.00 0.00 O ATOM 0 H GLY A 103 26.057 -26.822 -26.316 1.00 0.00 H new ATOM 0 HA2 GLY A 103 26.533 -24.961 -25.037 1.00 0.00 H new ATOM 0 HA3 GLY A 103 27.316 -25.951 -23.821 1.00 0.00 H new TER 1613 GLY A 103