USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 713 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 4 GLN : amide:sc= -7.47! C(o=-9.6!,f=-21!) USER MOD Set 1.2: A 92 THR OG1 : rot -149:sc= -2.16! USER MOD Single : A 1 VAL N :NH3+ -147:sc= -0.0714 (180deg=-0.839) USER MOD Single : A 2 THR OG1 : rot -67:sc= -1.22! USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 9 SER OG : rot -149:sc= -6.95! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0658 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= -0.0851 (180deg=-0.239) USER MOD Single : A 22 GLN : amide:sc= -1.7! C(o=-1.7!,f=-4.2!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.45! C(o=-2.4!,f=-4!) USER MOD Single : A 49 SER OG : rot -170:sc= -4.25! USER MOD Single : A 50 ASN : amide:sc= -3.01! C(o=-3!,f=-8!) USER MOD Single : A 52 ASN : amide:sc= -0.84 X(o=-0.84,f=-0.42) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0284 K(o=-0.028,f=-1.4!) USER MOD Single : A 67 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 82 THR OG1 : rot 170:sc= -1.12! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.704 -12.159 -0.009 1.00 0.00 N ATOM 2 CA VAL A 1 -0.737 -11.588 0.972 1.00 0.00 C ATOM 3 C VAL A 1 -1.487 -10.872 2.097 1.00 0.00 C ATOM 4 O VAL A 1 -1.859 -9.722 1.975 1.00 0.00 O ATOM 5 CB VAL A 1 0.100 -10.593 0.167 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.961 -9.763 1.121 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.004 -11.355 -0.805 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.319 -13.041 -0.403 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.606 -12.358 0.469 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.863 -11.477 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.120 -12.355 1.440 1.00 0.00 H new ATOM 0 HB VAL A 1 -0.561 -9.932 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.558 -9.053 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.317 -9.220 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.622 -10.423 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.601 -10.646 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.665 -12.016 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.391 -11.947 -1.485 1.00 0.00 H new ATOM 19 N THR A 2 -1.714 -11.544 3.193 1.00 0.00 N ATOM 20 CA THR A 2 -2.443 -10.901 4.325 1.00 0.00 C ATOM 21 C THR A 2 -1.664 -11.079 5.630 1.00 0.00 C ATOM 22 O THR A 2 -0.727 -11.851 5.708 1.00 0.00 O ATOM 23 CB THR A 2 -3.784 -11.635 4.404 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.677 -10.898 5.226 1.00 0.00 O ATOM 25 CG2 THR A 2 -3.571 -13.029 4.997 1.00 0.00 C ATOM 0 H THR A 2 -1.427 -12.509 3.354 1.00 0.00 H new ATOM 0 HA THR A 2 -2.570 -9.829 4.173 1.00 0.00 H new ATOM 0 HB THR A 2 -4.206 -11.730 3.404 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.355 -10.911 6.152 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.526 -13.551 5.053 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.886 -13.593 4.364 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.148 -12.938 5.998 1.00 0.00 H new ATOM 33 N VAL A 3 -2.054 -10.379 6.660 1.00 0.00 N ATOM 34 CA VAL A 3 -1.347 -10.514 7.964 1.00 0.00 C ATOM 35 C VAL A 3 -2.049 -11.567 8.823 1.00 0.00 C ATOM 36 O VAL A 3 -3.189 -11.408 9.217 1.00 0.00 O ATOM 37 CB VAL A 3 -1.424 -9.125 8.608 1.00 0.00 C ATOM 38 CG1 VAL A 3 -1.834 -9.245 10.078 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.050 -8.464 8.520 1.00 0.00 C ATOM 0 H VAL A 3 -2.832 -9.719 6.654 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.312 -10.838 7.852 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.167 -8.524 8.083 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.885 -8.252 10.524 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.811 -9.724 10.145 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.098 -9.845 10.613 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.092 -7.475 8.975 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.682 -9.075 9.048 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.242 -8.370 7.474 1.00 0.00 H new ATOM 49 N GLN A 4 -1.381 -12.651 9.101 1.00 0.00 N ATOM 50 CA GLN A 4 -2.014 -13.724 9.919 1.00 0.00 C ATOM 51 C GLN A 4 -1.358 -13.820 11.297 1.00 0.00 C ATOM 52 O GLN A 4 -0.174 -14.064 11.419 1.00 0.00 O ATOM 53 CB GLN A 4 -1.778 -15.010 9.129 1.00 0.00 C ATOM 54 CG GLN A 4 -2.514 -16.169 9.805 1.00 0.00 C ATOM 55 CD GLN A 4 -2.452 -17.405 8.907 1.00 0.00 C ATOM 56 OE1 GLN A 4 -1.993 -17.333 7.783 1.00 0.00 O ATOM 57 NE2 GLN A 4 -2.896 -18.546 9.357 1.00 0.00 N ATOM 0 H GLN A 4 -0.426 -12.841 8.798 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.073 -13.530 10.092 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.131 -14.890 8.105 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.711 -15.225 9.075 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.062 -16.386 10.773 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.552 -15.895 9.993 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.281 -18.607 10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.858 -19.377 8.766 1.00 0.00 H new ATOM 66 N ASP A 5 -2.126 -13.646 12.337 1.00 0.00 N ATOM 67 CA ASP A 5 -1.558 -13.744 13.712 1.00 0.00 C ATOM 68 C ASP A 5 -1.878 -15.122 14.295 1.00 0.00 C ATOM 69 O ASP A 5 -1.576 -15.414 15.435 1.00 0.00 O ATOM 70 CB ASP A 5 -2.259 -12.647 14.513 1.00 0.00 C ATOM 71 CG ASP A 5 -3.764 -12.920 14.539 1.00 0.00 C ATOM 72 OD1 ASP A 5 -4.169 -13.942 14.012 1.00 0.00 O ATOM 73 OD2 ASP A 5 -4.486 -12.104 15.088 1.00 0.00 O ATOM 0 H ASP A 5 -3.124 -13.440 12.294 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.475 -13.623 13.730 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.866 -12.616 15.529 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.063 -11.673 14.066 1.00 0.00 H new ATOM 78 N GLY A 6 -2.493 -15.969 13.514 1.00 0.00 N ATOM 79 CA GLY A 6 -2.842 -17.329 14.006 1.00 0.00 C ATOM 80 C GLY A 6 -3.379 -18.160 12.838 1.00 0.00 C ATOM 81 O GLY A 6 -2.907 -18.057 11.723 1.00 0.00 O ATOM 0 H GLY A 6 -2.769 -15.774 12.552 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.964 -17.810 14.438 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.590 -17.263 14.796 1.00 0.00 H new ATOM 85 N ASN A 7 -4.359 -18.984 13.083 1.00 0.00 N ATOM 86 CA ASN A 7 -4.920 -19.822 11.983 1.00 0.00 C ATOM 87 C ASN A 7 -5.931 -19.018 11.158 1.00 0.00 C ATOM 88 O ASN A 7 -6.528 -19.524 10.229 1.00 0.00 O ATOM 89 CB ASN A 7 -5.611 -20.989 12.687 1.00 0.00 C ATOM 90 CG ASN A 7 -4.572 -21.819 13.442 1.00 0.00 C ATOM 91 OD1 ASN A 7 -3.390 -21.727 13.172 1.00 0.00 O ATOM 92 ND2 ASN A 7 -4.963 -22.633 14.383 1.00 0.00 N ATOM 0 H ASN A 7 -4.796 -19.115 13.995 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.148 -20.160 11.291 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.365 -20.614 13.379 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.129 -21.612 11.958 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.278 -23.192 14.892 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.954 -22.711 14.610 1.00 0.00 H new ATOM 99 N PHE A 8 -6.132 -17.772 11.490 1.00 0.00 N ATOM 100 CA PHE A 8 -7.110 -16.946 10.723 1.00 0.00 C ATOM 101 C PHE A 8 -6.383 -15.894 9.879 1.00 0.00 C ATOM 102 O PHE A 8 -5.486 -15.221 10.345 1.00 0.00 O ATOM 103 CB PHE A 8 -7.978 -16.274 11.788 1.00 0.00 C ATOM 104 CG PHE A 8 -8.719 -17.333 12.569 1.00 0.00 C ATOM 105 CD1 PHE A 8 -9.961 -17.793 12.118 1.00 0.00 C ATOM 106 CD2 PHE A 8 -8.163 -17.853 13.744 1.00 0.00 C ATOM 107 CE1 PHE A 8 -10.648 -18.776 12.841 1.00 0.00 C ATOM 108 CE2 PHE A 8 -8.851 -18.835 14.468 1.00 0.00 C ATOM 109 CZ PHE A 8 -10.093 -19.297 14.016 1.00 0.00 C ATOM 0 H PHE A 8 -5.663 -17.290 12.257 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.700 -17.547 10.031 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.357 -15.680 12.458 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.685 -15.590 11.319 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.390 -17.390 11.212 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.204 -17.497 14.092 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.606 -19.132 12.492 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.423 -19.236 15.375 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.623 -20.055 14.574 1.00 0.00 H new ATOM 119 N SER A 9 -6.770 -15.747 8.639 1.00 0.00 N ATOM 120 CA SER A 9 -6.109 -14.737 7.761 1.00 0.00 C ATOM 121 C SER A 9 -6.764 -13.368 7.954 1.00 0.00 C ATOM 122 O SER A 9 -7.967 -13.226 7.850 1.00 0.00 O ATOM 123 CB SER A 9 -6.341 -15.248 6.337 1.00 0.00 C ATOM 124 OG SER A 9 -5.260 -14.854 5.507 1.00 0.00 O ATOM 0 H SER A 9 -7.516 -16.283 8.196 1.00 0.00 H new ATOM 0 HA SER A 9 -5.049 -14.617 7.985 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.433 -16.334 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.277 -14.850 5.945 1.00 0.00 H new ATOM 0 HG SER A 9 -5.582 -14.721 4.591 1.00 0.00 H new ATOM 130 N PHE A 10 -5.990 -12.358 8.246 1.00 0.00 N ATOM 131 CA PHE A 10 -6.584 -11.006 8.459 1.00 0.00 C ATOM 132 C PHE A 10 -6.059 -10.012 7.419 1.00 0.00 C ATOM 133 O PHE A 10 -4.867 -9.854 7.241 1.00 0.00 O ATOM 134 CB PHE A 10 -6.136 -10.597 9.863 1.00 0.00 C ATOM 135 CG PHE A 10 -6.746 -11.528 10.887 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.988 -12.129 10.641 1.00 0.00 C ATOM 137 CD2 PHE A 10 -6.069 -11.788 12.085 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.551 -12.987 11.594 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.632 -12.646 13.036 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.873 -13.246 12.791 1.00 0.00 C ATOM 0 H PHE A 10 -4.976 -12.409 8.346 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.669 -11.017 8.358 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.049 -10.629 9.931 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.438 -9.570 10.066 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.511 -11.931 9.717 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.112 -11.326 12.275 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.509 -13.449 11.405 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.109 -12.846 13.960 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.307 -13.908 13.525 1.00 0.00 H new ATOM 150 N SER A 11 -6.943 -9.334 6.737 1.00 0.00 N ATOM 151 CA SER A 11 -6.505 -8.343 5.711 1.00 0.00 C ATOM 152 C SER A 11 -6.016 -7.057 6.387 1.00 0.00 C ATOM 153 O SER A 11 -6.128 -6.895 7.585 1.00 0.00 O ATOM 154 CB SER A 11 -7.751 -8.067 4.870 1.00 0.00 C ATOM 155 OG SER A 11 -8.672 -7.297 5.628 1.00 0.00 O ATOM 0 H SER A 11 -7.953 -9.424 6.847 1.00 0.00 H new ATOM 0 HA SER A 11 -5.678 -8.715 5.106 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.478 -7.534 3.959 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.211 -9.006 4.563 1.00 0.00 H new ATOM 0 HG SER A 11 -9.471 -7.118 5.089 1.00 0.00 H new ATOM 161 N LEU A 12 -5.467 -6.148 5.628 1.00 0.00 N ATOM 162 CA LEU A 12 -4.964 -4.877 6.228 1.00 0.00 C ATOM 163 C LEU A 12 -5.968 -3.740 6.004 1.00 0.00 C ATOM 164 O LEU A 12 -5.802 -2.646 6.505 1.00 0.00 O ATOM 165 CB LEU A 12 -3.655 -4.589 5.488 1.00 0.00 C ATOM 166 CG LEU A 12 -2.661 -5.726 5.740 1.00 0.00 C ATOM 167 CD1 LEU A 12 -3.058 -6.947 4.908 1.00 0.00 C ATOM 168 CD2 LEU A 12 -1.255 -5.277 5.339 1.00 0.00 C ATOM 0 H LEU A 12 -5.345 -6.229 4.619 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.821 -4.959 7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.844 -4.488 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.234 -3.643 5.828 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.673 -5.986 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.350 -7.756 5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.059 -7.271 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.048 -6.685 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.549 -6.088 5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.245 -5.015 4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.968 -4.408 5.931 1.00 0.00 H new ATOM 180 N GLU A 13 -7.002 -3.989 5.249 1.00 0.00 N ATOM 181 CA GLU A 13 -8.012 -2.921 4.983 1.00 0.00 C ATOM 182 C GLU A 13 -8.850 -2.639 6.236 1.00 0.00 C ATOM 183 O GLU A 13 -8.690 -1.626 6.885 1.00 0.00 O ATOM 184 CB GLU A 13 -8.895 -3.476 3.865 1.00 0.00 C ATOM 185 CG GLU A 13 -8.029 -3.814 2.651 1.00 0.00 C ATOM 186 CD GLU A 13 -8.920 -4.332 1.519 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.084 -4.593 1.780 1.00 0.00 O ATOM 188 OE2 GLU A 13 -8.424 -4.460 0.412 1.00 0.00 O ATOM 0 H GLU A 13 -7.193 -4.886 4.803 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.540 -1.979 4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.420 -4.367 4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.655 -2.745 3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.482 -2.930 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.287 -4.567 2.918 1.00 0.00 H new ATOM 195 N SER A 14 -9.748 -3.523 6.574 1.00 0.00 N ATOM 196 CA SER A 14 -10.600 -3.298 7.780 1.00 0.00 C ATOM 197 C SER A 14 -9.757 -2.779 8.944 1.00 0.00 C ATOM 198 O SER A 14 -10.099 -1.805 9.585 1.00 0.00 O ATOM 199 CB SER A 14 -11.179 -4.668 8.125 1.00 0.00 C ATOM 200 OG SER A 14 -11.677 -5.286 6.946 1.00 0.00 O ATOM 0 H SER A 14 -9.930 -4.391 6.069 1.00 0.00 H new ATOM 0 HA SER A 14 -11.377 -2.557 7.591 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.411 -5.294 8.580 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.979 -4.562 8.858 1.00 0.00 H new ATOM 0 HG SER A 14 -12.047 -6.166 7.169 1.00 0.00 H new ATOM 206 N VAL A 15 -8.659 -3.422 9.226 1.00 0.00 N ATOM 207 CA VAL A 15 -7.803 -2.961 10.353 1.00 0.00 C ATOM 208 C VAL A 15 -7.349 -1.519 10.116 1.00 0.00 C ATOM 209 O VAL A 15 -7.429 -0.686 10.997 1.00 0.00 O ATOM 210 CB VAL A 15 -6.617 -3.920 10.371 1.00 0.00 C ATOM 211 CG1 VAL A 15 -7.083 -5.260 10.942 1.00 0.00 C ATOM 212 CG2 VAL A 15 -6.085 -4.124 8.950 1.00 0.00 C ATOM 0 H VAL A 15 -8.318 -4.244 8.727 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.332 -2.965 11.306 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.818 -3.506 10.987 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.246 -5.958 10.962 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.457 -5.113 11.955 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.878 -5.665 10.317 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.238 -4.810 8.973 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.873 -4.541 8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.764 -3.166 8.541 1.00 0.00 H new ATOM 222 N LYS A 16 -6.890 -1.204 8.937 1.00 0.00 N ATOM 223 CA LYS A 16 -6.462 0.199 8.674 1.00 0.00 C ATOM 224 C LYS A 16 -7.642 1.131 8.933 1.00 0.00 C ATOM 225 O LYS A 16 -7.562 2.050 9.726 1.00 0.00 O ATOM 226 CB LYS A 16 -6.057 0.233 7.200 1.00 0.00 C ATOM 227 CG LYS A 16 -5.583 1.643 6.839 1.00 0.00 C ATOM 228 CD LYS A 16 -5.096 1.665 5.389 1.00 0.00 C ATOM 229 CE LYS A 16 -4.468 3.025 5.082 1.00 0.00 C ATOM 230 NZ LYS A 16 -5.120 3.470 3.818 1.00 0.00 N ATOM 0 H LYS A 16 -6.793 -1.848 8.152 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.639 0.518 9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.263 -0.489 7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.901 -0.051 6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.397 2.356 6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.779 1.950 7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.367 0.871 5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.929 1.476 4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.647 3.734 5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.388 2.944 4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.742 4.398 3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.927 2.778 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.147 3.545 3.965 1.00 0.00 H new ATOM 244 N LYS A 17 -8.752 0.885 8.289 1.00 0.00 N ATOM 245 CA LYS A 17 -9.953 1.736 8.516 1.00 0.00 C ATOM 246 C LYS A 17 -10.657 1.290 9.800 1.00 0.00 C ATOM 247 O LYS A 17 -11.766 1.692 10.086 1.00 0.00 O ATOM 248 CB LYS A 17 -10.849 1.490 7.303 1.00 0.00 C ATOM 249 CG LYS A 17 -10.106 1.887 6.025 1.00 0.00 C ATOM 250 CD LYS A 17 -11.004 1.629 4.814 1.00 0.00 C ATOM 251 CE LYS A 17 -10.257 2.007 3.534 1.00 0.00 C ATOM 252 NZ LYS A 17 -11.262 1.845 2.446 1.00 0.00 N ATOM 0 H LYS A 17 -8.877 0.130 7.615 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.706 2.792 8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.135 0.439 7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.769 2.068 7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.826 2.940 6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.183 1.315 5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.295 0.579 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.921 2.212 4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.885 3.031 3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.393 1.361 3.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.827 2.086 1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.593 0.859 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.069 2.477 2.622 1.00 0.00 H new ATOM 266 N LEU A 18 -10.016 0.458 10.577 1.00 0.00 N ATOM 267 CA LEU A 18 -10.634 -0.021 11.845 1.00 0.00 C ATOM 268 C LEU A 18 -10.960 1.166 12.755 1.00 0.00 C ATOM 269 O LEU A 18 -11.893 1.128 13.532 1.00 0.00 O ATOM 270 CB LEU A 18 -9.557 -0.914 12.466 1.00 0.00 C ATOM 271 CG LEU A 18 -10.160 -1.799 13.558 1.00 0.00 C ATOM 272 CD1 LEU A 18 -9.139 -2.873 13.949 1.00 0.00 C ATOM 273 CD2 LEU A 18 -10.497 -0.952 14.786 1.00 0.00 C ATOM 0 H LEU A 18 -9.085 0.088 10.385 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.573 -0.553 11.691 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.103 -1.536 11.695 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.763 -0.297 12.887 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.071 -2.267 13.185 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.560 -3.509 14.727 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.897 -3.480 13.076 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.233 -2.395 14.322 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.926 -1.588 15.560 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.589 -0.482 15.164 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.216 -0.181 14.510 1.00 0.00 H new ATOM 285 N LYS A 19 -10.202 2.225 12.660 1.00 0.00 N ATOM 286 CA LYS A 19 -10.475 3.415 13.518 1.00 0.00 C ATOM 287 C LYS A 19 -11.826 4.035 13.146 1.00 0.00 C ATOM 288 O LYS A 19 -12.543 4.537 13.990 1.00 0.00 O ATOM 289 CB LYS A 19 -9.337 4.391 13.220 1.00 0.00 C ATOM 290 CG LYS A 19 -8.007 3.773 13.656 1.00 0.00 C ATOM 291 CD LYS A 19 -6.883 4.794 13.463 1.00 0.00 C ATOM 292 CE LYS A 19 -5.538 4.134 13.769 1.00 0.00 C ATOM 293 NZ LYS A 19 -4.811 5.122 14.615 1.00 0.00 N ATOM 0 H LYS A 19 -9.407 2.318 12.027 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.523 3.158 14.576 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.311 4.622 12.155 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.503 5.331 13.746 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.061 3.468 14.701 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.802 2.876 13.072 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.891 5.171 12.440 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.038 5.650 14.120 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.672 3.188 14.293 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.987 3.916 12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.955 4.680 15.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.543 5.944 14.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.427 5.432 15.393 1.00 0.00 H new ATOM 307 N ASP A 20 -12.182 4.004 11.889 1.00 0.00 N ATOM 308 CA ASP A 20 -13.487 4.590 11.465 1.00 0.00 C ATOM 309 C ASP A 20 -14.217 3.627 10.526 1.00 0.00 C ATOM 310 O ASP A 20 -13.613 2.975 9.698 1.00 0.00 O ATOM 311 CB ASP A 20 -13.123 5.880 10.731 1.00 0.00 C ATOM 312 CG ASP A 20 -14.400 6.659 10.407 1.00 0.00 C ATOM 313 OD1 ASP A 20 -15.460 6.220 10.819 1.00 0.00 O ATOM 314 OD2 ASP A 20 -14.295 7.682 9.750 1.00 0.00 O ATOM 0 H ASP A 20 -11.625 3.598 11.137 1.00 0.00 H new ATOM 0 HA ASP A 20 -14.150 4.776 12.310 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.460 6.487 11.347 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.582 5.649 9.813 1.00 0.00 H new ATOM 319 N LEU A 21 -15.513 3.528 10.646 1.00 0.00 N ATOM 320 CA LEU A 21 -16.272 2.601 9.759 1.00 0.00 C ATOM 321 C LEU A 21 -16.629 3.291 8.439 1.00 0.00 C ATOM 322 O LEU A 21 -17.010 4.444 8.410 1.00 0.00 O ATOM 323 CB LEU A 21 -17.538 2.253 10.542 1.00 0.00 C ATOM 324 CG LEU A 21 -17.381 0.868 11.173 1.00 0.00 C ATOM 325 CD1 LEU A 21 -17.063 -0.157 10.083 1.00 0.00 C ATOM 326 CD2 LEU A 21 -16.240 0.900 12.193 1.00 0.00 C ATOM 0 H LEU A 21 -16.078 4.047 11.318 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.693 1.714 9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -17.717 2.999 11.316 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -18.404 2.267 9.880 1.00 0.00 H new ATOM 0 HG LEU A 21 -18.308 0.589 11.673 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.951 -1.144 10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -17.875 -0.179 9.356 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.136 0.121 9.582 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.127 -0.086 12.643 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.313 1.179 11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.467 1.630 12.970 1.00 0.00 H new ATOM 338 N GLN A 22 -16.509 2.588 7.345 1.00 0.00 N ATOM 339 CA GLN A 22 -16.843 3.197 6.024 1.00 0.00 C ATOM 340 C GLN A 22 -17.730 2.246 5.218 1.00 0.00 C ATOM 341 O GLN A 22 -17.951 1.115 5.602 1.00 0.00 O ATOM 342 CB GLN A 22 -15.496 3.395 5.328 1.00 0.00 C ATOM 343 CG GLN A 22 -14.665 4.418 6.104 1.00 0.00 C ATOM 344 CD GLN A 22 -13.342 4.660 5.374 1.00 0.00 C ATOM 345 OE1 GLN A 22 -13.021 3.967 4.427 1.00 0.00 O ATOM 346 NE2 GLN A 22 -12.555 5.620 5.776 1.00 0.00 N ATOM 0 H GLN A 22 -16.194 1.618 7.308 1.00 0.00 H new ATOM 0 HA GLN A 22 -17.390 4.135 6.125 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.962 2.446 5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -15.650 3.737 4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.216 5.353 6.199 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -14.474 4.056 7.114 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.824 6.201 6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.671 5.789 5.296 1.00 0.00 H new ATOM 355 N GLU A 23 -18.238 2.692 4.102 1.00 0.00 N ATOM 356 CA GLU A 23 -19.109 1.806 3.274 1.00 0.00 C ATOM 357 C GLU A 23 -18.510 0.396 3.206 1.00 0.00 C ATOM 358 O GLU A 23 -17.319 0.239 3.028 1.00 0.00 O ATOM 359 CB GLU A 23 -19.121 2.450 1.888 1.00 0.00 C ATOM 360 CG GLU A 23 -20.386 3.296 1.730 1.00 0.00 C ATOM 361 CD GLU A 23 -20.835 3.273 0.267 1.00 0.00 C ATOM 362 OE1 GLU A 23 -21.600 2.391 -0.084 1.00 0.00 O ATOM 363 OE2 GLU A 23 -20.405 4.140 -0.476 1.00 0.00 O ATOM 0 H GLU A 23 -18.089 3.629 3.727 1.00 0.00 H new ATOM 0 HA GLU A 23 -20.113 1.707 3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.236 3.072 1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.087 1.680 1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -21.178 2.909 2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -20.193 4.321 2.046 1.00 0.00 H new ATOM 370 N PRO A 24 -19.361 -0.589 3.352 1.00 0.00 N ATOM 371 CA PRO A 24 -18.913 -2.002 3.309 1.00 0.00 C ATOM 372 C PRO A 24 -18.322 -2.339 1.935 1.00 0.00 C ATOM 373 O PRO A 24 -18.803 -3.212 1.240 1.00 0.00 O ATOM 374 CB PRO A 24 -20.213 -2.774 3.551 1.00 0.00 C ATOM 375 CG PRO A 24 -21.365 -1.764 3.725 1.00 0.00 C ATOM 376 CD PRO A 24 -20.805 -0.344 3.571 1.00 0.00 C ATOM 0 HA PRO A 24 -18.132 -2.235 4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -20.418 -3.440 2.713 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -20.121 -3.399 4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -22.142 -1.946 2.982 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.827 -1.883 4.705 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -21.259 0.182 2.731 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.983 0.261 4.460 1.00 0.00 H new ATOM 384 N GLN A 25 -17.283 -1.657 1.541 1.00 0.00 N ATOM 385 CA GLN A 25 -16.662 -1.940 0.216 1.00 0.00 C ATOM 386 C GLN A 25 -15.161 -2.196 0.385 1.00 0.00 C ATOM 387 O GLN A 25 -14.491 -1.529 1.148 1.00 0.00 O ATOM 388 CB GLN A 25 -16.903 -0.678 -0.613 1.00 0.00 C ATOM 389 CG GLN A 25 -18.408 -0.472 -0.800 1.00 0.00 C ATOM 390 CD GLN A 25 -18.652 0.808 -1.601 1.00 0.00 C ATOM 391 OE1 GLN A 25 -17.750 1.601 -1.790 1.00 0.00 O ATOM 392 NE2 GLN A 25 -19.841 1.046 -2.083 1.00 0.00 N ATOM 0 H GLN A 25 -16.836 -0.915 2.080 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.085 -2.824 -0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.466 0.187 -0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -16.414 -0.768 -1.583 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.841 -1.327 -1.319 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.900 -0.406 0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.598 0.381 -1.925 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.013 1.897 -2.618 1.00 0.00 H new ATOM 401 N GLU A 26 -14.629 -3.158 -0.317 1.00 0.00 N ATOM 402 CA GLU A 26 -13.173 -3.452 -0.188 1.00 0.00 C ATOM 403 C GLU A 26 -12.521 -3.544 -1.573 1.00 0.00 C ATOM 404 O GLU A 26 -12.159 -4.615 -2.016 1.00 0.00 O ATOM 405 CB GLU A 26 -13.106 -4.802 0.526 1.00 0.00 C ATOM 406 CG GLU A 26 -12.712 -4.586 1.988 1.00 0.00 C ATOM 407 CD GLU A 26 -13.963 -4.279 2.814 1.00 0.00 C ATOM 408 OE1 GLU A 26 -15.029 -4.725 2.427 1.00 0.00 O ATOM 409 OE2 GLU A 26 -13.832 -3.601 3.820 1.00 0.00 O ATOM 0 H GLU A 26 -15.137 -3.752 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.642 -2.672 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.072 -5.304 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.380 -5.450 0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.216 -5.475 2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.001 -3.764 2.066 1.00 0.00 H new ATOM 416 N PRO A 27 -12.390 -2.409 -2.210 1.00 0.00 N ATOM 417 CA PRO A 27 -11.772 -2.352 -3.554 1.00 0.00 C ATOM 418 C PRO A 27 -10.320 -2.837 -3.495 1.00 0.00 C ATOM 419 O PRO A 27 -9.626 -2.627 -2.520 1.00 0.00 O ATOM 420 CB PRO A 27 -11.843 -0.860 -3.894 1.00 0.00 C ATOM 421 CG PRO A 27 -12.506 -0.115 -2.719 1.00 0.00 C ATOM 422 CD PRO A 27 -12.851 -1.131 -1.620 1.00 0.00 C ATOM 0 HA PRO A 27 -12.266 -2.983 -4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.843 -0.466 -4.075 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.416 -0.708 -4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.833 0.649 -2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.407 0.396 -3.057 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.338 -0.907 -0.685 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.919 -1.146 -1.402 1.00 0.00 H new ATOM 430 N ARG A 28 -9.855 -3.486 -4.527 1.00 0.00 N ATOM 431 CA ARG A 28 -8.449 -3.985 -4.523 1.00 0.00 C ATOM 432 C ARG A 28 -7.608 -3.210 -5.543 1.00 0.00 C ATOM 433 O ARG A 28 -7.967 -3.092 -6.697 1.00 0.00 O ATOM 434 CB ARG A 28 -8.551 -5.458 -4.917 1.00 0.00 C ATOM 435 CG ARG A 28 -7.178 -6.119 -4.774 1.00 0.00 C ATOM 436 CD ARG A 28 -7.272 -7.586 -5.197 1.00 0.00 C ATOM 437 NE ARG A 28 -5.924 -8.152 -4.910 1.00 0.00 N ATOM 438 CZ ARG A 28 -4.978 -8.071 -5.805 1.00 0.00 C ATOM 439 NH1 ARG A 28 -5.135 -7.312 -6.855 1.00 0.00 N ATOM 440 NH2 ARG A 28 -3.872 -8.749 -5.649 1.00 0.00 N ATOM 0 H ARG A 28 -10.387 -3.693 -5.373 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.967 -3.856 -3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.279 -5.966 -4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.905 -5.547 -5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.446 -5.598 -5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.834 -6.048 -3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.048 -8.110 -4.639 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.523 -7.678 -6.254 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.741 -8.603 -4.014 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.998 -6.782 -6.976 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.395 -7.249 -7.554 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.748 -9.341 -4.828 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.132 -8.686 -6.348 1.00 0.00 H new ATOM 454 N VAL A 29 -6.489 -2.684 -5.123 1.00 0.00 N ATOM 455 CA VAL A 29 -5.624 -1.919 -6.068 1.00 0.00 C ATOM 456 C VAL A 29 -4.152 -2.277 -5.844 1.00 0.00 C ATOM 457 O VAL A 29 -3.721 -2.509 -4.732 1.00 0.00 O ATOM 458 CB VAL A 29 -5.876 -0.449 -5.735 1.00 0.00 C ATOM 459 CG1 VAL A 29 -5.348 -0.147 -4.331 1.00 0.00 C ATOM 460 CG2 VAL A 29 -5.153 0.436 -6.753 1.00 0.00 C ATOM 0 H VAL A 29 -6.137 -2.750 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.850 -2.144 -7.110 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.946 -0.246 -5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.527 0.901 -4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.862 -0.777 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.278 -0.350 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.333 1.485 -6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.083 0.234 -6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.528 0.221 -7.754 1.00 0.00 H new ATOM 470 N GLY A 30 -3.377 -2.325 -6.893 1.00 0.00 N ATOM 471 CA GLY A 30 -1.934 -2.670 -6.739 1.00 0.00 C ATOM 472 C GLY A 30 -1.301 -1.762 -5.682 1.00 0.00 C ATOM 473 O GLY A 30 -0.365 -2.141 -5.005 1.00 0.00 O ATOM 0 H GLY A 30 -3.680 -2.141 -7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.828 -3.715 -6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.417 -2.552 -7.692 1.00 0.00 H new ATOM 477 N LYS A 31 -1.803 -0.567 -5.533 1.00 0.00 N ATOM 478 CA LYS A 31 -1.228 0.363 -4.519 1.00 0.00 C ATOM 479 C LYS A 31 -1.552 -0.133 -3.106 1.00 0.00 C ATOM 480 O LYS A 31 -0.888 0.212 -2.149 1.00 0.00 O ATOM 481 CB LYS A 31 -1.904 1.708 -4.782 1.00 0.00 C ATOM 482 CG LYS A 31 -1.289 2.775 -3.874 1.00 0.00 C ATOM 483 CD LYS A 31 -2.049 4.093 -4.045 1.00 0.00 C ATOM 484 CE LYS A 31 -1.320 5.203 -3.285 1.00 0.00 C ATOM 485 NZ LYS A 31 -1.175 6.311 -4.271 1.00 0.00 N ATOM 0 H LYS A 31 -2.586 -0.194 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.143 0.433 -4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.781 1.990 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.975 1.631 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.332 2.451 -2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.237 2.915 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.122 4.349 -5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.067 3.989 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.888 5.523 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.348 4.864 -2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.683 7.111 -3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.624 5.979 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.116 6.618 -4.590 1.00 0.00 H new ATOM 499 N LEU A 32 -2.568 -0.940 -2.971 1.00 0.00 N ATOM 500 CA LEU A 32 -2.935 -1.459 -1.622 1.00 0.00 C ATOM 501 C LEU A 32 -3.190 -0.298 -0.658 1.00 0.00 C ATOM 502 O LEU A 32 -3.527 0.798 -1.064 1.00 0.00 O ATOM 503 CB LEU A 32 -1.725 -2.276 -1.170 1.00 0.00 C ATOM 504 CG LEU A 32 -1.452 -3.388 -2.185 1.00 0.00 C ATOM 505 CD1 LEU A 32 -0.298 -4.260 -1.686 1.00 0.00 C ATOM 506 CD2 LEU A 32 -2.707 -4.248 -2.347 1.00 0.00 C ATOM 0 H LEU A 32 -3.160 -1.263 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.846 -2.057 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.851 -1.631 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.910 -2.705 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.186 -2.947 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.102 -5.053 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.596 -3.648 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.564 -4.702 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.514 -5.041 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.972 -4.690 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.530 -3.627 -2.700 1.00 0.00 H new ATOM 518 N ARG A 33 -3.032 -0.528 0.617 1.00 0.00 N ATOM 519 CA ARG A 33 -3.268 0.561 1.607 1.00 0.00 C ATOM 520 C ARG A 33 -1.989 0.841 2.403 1.00 0.00 C ATOM 521 O ARG A 33 -1.352 -0.060 2.910 1.00 0.00 O ATOM 522 CB ARG A 33 -4.371 0.026 2.524 1.00 0.00 C ATOM 523 CG ARG A 33 -5.696 -0.003 1.759 1.00 0.00 C ATOM 524 CD ARG A 33 -6.816 -0.462 2.694 1.00 0.00 C ATOM 525 NE ARG A 33 -8.015 -0.596 1.818 1.00 0.00 N ATOM 526 CZ ARG A 33 -8.350 0.377 1.014 1.00 0.00 C ATOM 527 NH1 ARG A 33 -8.079 1.612 1.337 1.00 0.00 N ATOM 528 NH2 ARG A 33 -8.954 0.115 -0.113 1.00 0.00 N ATOM 0 H ARG A 33 -2.750 -1.423 1.016 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.553 1.500 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.117 -0.975 2.872 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.462 0.657 3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.921 0.987 1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.621 -0.677 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.568 -1.410 3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.987 0.262 3.491 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.574 -1.449 1.847 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.606 1.817 2.217 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.340 2.372 0.709 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.165 -0.850 -0.366 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.215 0.876 -0.740 1.00 0.00 H new ATOM 542 N ASN A 34 -1.608 2.086 2.514 1.00 0.00 N ATOM 543 CA ASN A 34 -0.370 2.424 3.276 1.00 0.00 C ATOM 544 C ASN A 34 -0.568 3.727 4.055 1.00 0.00 C ATOM 545 O ASN A 34 -0.654 4.796 3.483 1.00 0.00 O ATOM 546 CB ASN A 34 0.717 2.594 2.213 1.00 0.00 C ATOM 547 CG ASN A 34 2.091 2.597 2.886 1.00 0.00 C ATOM 548 OD1 ASN A 34 2.225 2.196 4.024 1.00 0.00 O ATOM 549 ND2 ASN A 34 3.127 3.036 2.225 1.00 0.00 N ATOM 0 H ASN A 34 -2.100 2.883 2.110 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.111 1.655 4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.658 1.785 1.485 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.565 3.525 1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.047 3.042 2.665 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.016 3.373 1.269 1.00 0.00 H new ATOM 556 N PHE A 35 -0.641 3.648 5.356 1.00 0.00 N ATOM 557 CA PHE A 35 -0.832 4.884 6.170 1.00 0.00 C ATOM 558 C PHE A 35 0.273 5.001 7.223 1.00 0.00 C ATOM 559 O PHE A 35 0.971 4.050 7.514 1.00 0.00 O ATOM 560 CB PHE A 35 -2.195 4.709 6.841 1.00 0.00 C ATOM 561 CG PHE A 35 -2.530 5.952 7.631 1.00 0.00 C ATOM 562 CD1 PHE A 35 -3.141 7.040 6.999 1.00 0.00 C ATOM 563 CD2 PHE A 35 -2.229 6.015 8.997 1.00 0.00 C ATOM 564 CE1 PHE A 35 -3.452 8.192 7.731 1.00 0.00 C ATOM 565 CE2 PHE A 35 -2.539 7.167 9.730 1.00 0.00 C ATOM 566 CZ PHE A 35 -3.151 8.256 9.096 1.00 0.00 C ATOM 0 H PHE A 35 -0.577 2.782 5.891 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.789 5.788 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.962 4.526 6.089 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.180 3.840 7.499 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.373 6.991 5.945 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.758 5.175 9.485 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.924 9.031 7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.306 7.216 10.784 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.390 9.145 9.661 1.00 0.00 H new ATOM 576 N ALA A 36 0.437 6.162 7.797 1.00 0.00 N ATOM 577 CA ALA A 36 1.496 6.340 8.833 1.00 0.00 C ATOM 578 C ALA A 36 1.251 5.383 10.006 1.00 0.00 C ATOM 579 O ALA A 36 0.204 5.416 10.618 1.00 0.00 O ATOM 580 CB ALA A 36 1.361 7.792 9.290 1.00 0.00 C ATOM 0 H ALA A 36 -0.116 6.995 7.594 1.00 0.00 H new ATOM 0 HA ALA A 36 2.493 6.125 8.448 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.108 8.004 10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.514 8.457 8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.365 7.953 9.701 1.00 0.00 H new ATOM 586 N PRO A 37 2.227 4.556 10.279 1.00 0.00 N ATOM 587 CA PRO A 37 2.115 3.578 11.389 1.00 0.00 C ATOM 588 C PRO A 37 2.110 4.289 12.746 1.00 0.00 C ATOM 589 O PRO A 37 3.139 4.471 13.367 1.00 0.00 O ATOM 590 CB PRO A 37 3.387 2.740 11.223 1.00 0.00 C ATOM 591 CG PRO A 37 4.184 3.285 10.022 1.00 0.00 C ATOM 592 CD PRO A 37 3.480 4.542 9.494 1.00 0.00 C ATOM 0 HA PRO A 37 1.197 2.991 11.359 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.991 2.786 12.129 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.131 1.693 11.063 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.205 3.522 10.322 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.249 2.531 9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.074 5.441 9.660 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.288 4.481 8.423 1.00 0.00 H new ATOM 600 N ILE A 38 0.959 4.680 13.214 1.00 0.00 N ATOM 601 CA ILE A 38 0.885 5.367 14.538 1.00 0.00 C ATOM 602 C ILE A 38 -0.029 4.589 15.492 1.00 0.00 C ATOM 603 O ILE A 38 -1.105 5.045 15.828 1.00 0.00 O ATOM 604 CB ILE A 38 0.304 6.756 14.253 1.00 0.00 C ATOM 605 CG1 ILE A 38 -0.719 6.678 13.116 1.00 0.00 C ATOM 606 CG2 ILE A 38 1.435 7.704 13.852 1.00 0.00 C ATOM 607 CD1 ILE A 38 -1.752 5.588 13.414 1.00 0.00 C ATOM 0 H ILE A 38 0.065 4.555 12.739 1.00 0.00 H new ATOM 0 HA ILE A 38 1.863 5.431 15.014 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.190 7.126 15.151 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.217 7.640 12.998 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.213 6.463 12.175 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.025 8.693 13.648 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.159 7.771 14.664 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.928 7.324 12.957 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.475 5.540 12.600 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.249 4.626 13.509 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.269 5.821 14.345 1.00 0.00 H new ATOM 619 N PRO A 39 0.431 3.436 15.901 1.00 0.00 N ATOM 620 CA PRO A 39 -0.351 2.581 16.826 1.00 0.00 C ATOM 621 C PRO A 39 -0.616 3.316 18.143 1.00 0.00 C ATOM 622 O PRO A 39 0.200 4.086 18.610 1.00 0.00 O ATOM 623 CB PRO A 39 0.579 1.383 17.041 1.00 0.00 C ATOM 624 CG PRO A 39 1.867 1.601 16.224 1.00 0.00 C ATOM 625 CD PRO A 39 1.752 2.928 15.462 1.00 0.00 C ATOM 0 HA PRO A 39 -1.332 2.301 16.442 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.817 1.275 18.099 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.086 0.462 16.730 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.734 1.619 16.884 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.015 0.777 15.526 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.557 3.615 15.720 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.792 2.781 14.383 1.00 0.00 H new ATOM 633 N GLY A 40 -1.751 3.085 18.745 1.00 0.00 N ATOM 634 CA GLY A 40 -2.064 3.770 20.029 1.00 0.00 C ATOM 635 C GLY A 40 -3.566 3.687 20.302 1.00 0.00 C ATOM 636 O GLY A 40 -4.168 4.614 20.807 1.00 0.00 O ATOM 0 H GLY A 40 -2.474 2.452 18.403 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.510 3.306 20.845 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.750 4.813 19.983 1.00 0.00 H new ATOM 640 N GLU A 41 -4.177 2.583 19.973 1.00 0.00 N ATOM 641 CA GLU A 41 -5.641 2.441 20.216 1.00 0.00 C ATOM 642 C GLU A 41 -5.917 1.205 21.078 1.00 0.00 C ATOM 643 O GLU A 41 -6.424 0.213 20.592 1.00 0.00 O ATOM 644 CB GLU A 41 -6.258 2.275 18.827 1.00 0.00 C ATOM 645 CG GLU A 41 -6.274 3.629 18.112 1.00 0.00 C ATOM 646 CD GLU A 41 -7.723 4.047 17.849 1.00 0.00 C ATOM 647 OE1 GLU A 41 -8.275 3.606 16.855 1.00 0.00 O ATOM 648 OE2 GLU A 41 -8.255 4.801 18.647 1.00 0.00 O ATOM 0 H GLU A 41 -3.727 1.773 19.547 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.057 3.297 20.747 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.685 1.552 18.247 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.272 1.884 18.912 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.772 4.381 18.721 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.726 3.563 17.172 1.00 0.00 H new ATOM 655 N PRO A 42 -5.572 1.306 22.335 1.00 0.00 N ATOM 656 CA PRO A 42 -5.782 0.185 23.281 1.00 0.00 C ATOM 657 C PRO A 42 -7.272 -0.144 23.395 1.00 0.00 C ATOM 658 O PRO A 42 -7.917 0.180 24.373 1.00 0.00 O ATOM 659 CB PRO A 42 -5.239 0.749 24.596 1.00 0.00 C ATOM 660 CG PRO A 42 -4.734 2.185 24.349 1.00 0.00 C ATOM 661 CD PRO A 42 -4.956 2.540 22.873 1.00 0.00 C ATOM 0 HA PRO A 42 -5.295 -0.743 22.980 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.019 0.749 25.358 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.429 0.123 24.969 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.266 2.888 24.990 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.676 2.262 24.601 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.611 3.404 22.758 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.020 2.780 22.368 1.00 0.00 H new ATOM 669 N VAL A 43 -7.826 -0.785 22.403 1.00 0.00 N ATOM 670 CA VAL A 43 -9.273 -1.133 22.454 1.00 0.00 C ATOM 671 C VAL A 43 -9.458 -2.648 22.354 1.00 0.00 C ATOM 672 O VAL A 43 -8.957 -3.284 21.450 1.00 0.00 O ATOM 673 CB VAL A 43 -9.890 -0.440 21.240 1.00 0.00 C ATOM 674 CG1 VAL A 43 -11.364 -0.832 21.130 1.00 0.00 C ATOM 675 CG2 VAL A 43 -9.773 1.076 21.402 1.00 0.00 C ATOM 0 H VAL A 43 -7.338 -1.083 21.558 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.739 -0.817 23.387 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.363 -0.747 20.337 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.808 -0.339 20.265 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.445 -1.913 21.014 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.891 -0.524 22.033 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.213 1.570 20.536 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.300 1.387 22.304 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.722 1.353 21.482 1.00 0.00 H new ATOM 685 N VAL A 44 -10.181 -3.228 23.276 1.00 0.00 N ATOM 686 CA VAL A 44 -10.408 -4.704 23.241 1.00 0.00 C ATOM 687 C VAL A 44 -10.999 -5.180 24.575 1.00 0.00 C ATOM 688 O VAL A 44 -12.014 -5.847 24.594 1.00 0.00 O ATOM 689 CB VAL A 44 -9.026 -5.323 22.992 1.00 0.00 C ATOM 690 CG1 VAL A 44 -8.832 -6.554 23.886 1.00 0.00 C ATOM 691 CG2 VAL A 44 -8.923 -5.748 21.526 1.00 0.00 C ATOM 0 H VAL A 44 -10.626 -2.742 24.055 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.117 -4.996 22.466 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.257 -4.586 23.224 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.848 -6.986 23.702 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.909 -6.259 24.933 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.601 -7.293 23.660 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.943 -6.189 21.343 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.698 -6.482 21.305 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.055 -4.877 20.884 1.00 0.00 H new ATOM 701 N PRO A 45 -10.345 -4.826 25.655 1.00 0.00 N ATOM 702 CA PRO A 45 -10.824 -5.230 26.997 1.00 0.00 C ATOM 703 C PRO A 45 -12.222 -4.664 27.256 1.00 0.00 C ATOM 704 O PRO A 45 -13.090 -5.340 27.774 1.00 0.00 O ATOM 705 CB PRO A 45 -9.787 -4.601 27.931 1.00 0.00 C ATOM 706 CG PRO A 45 -8.740 -3.857 27.078 1.00 0.00 C ATOM 707 CD PRO A 45 -9.107 -4.011 25.596 1.00 0.00 C ATOM 0 HA PRO A 45 -10.913 -6.309 27.127 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.271 -3.911 28.622 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.305 -5.371 28.534 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.711 -2.802 27.352 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.745 -4.262 27.264 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.278 -3.047 25.118 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.319 -4.510 25.032 1.00 0.00 H new ATOM 715 N ILE A 46 -12.452 -3.431 26.893 1.00 0.00 N ATOM 716 CA ILE A 46 -13.799 -2.832 27.113 1.00 0.00 C ATOM 717 C ILE A 46 -14.858 -3.657 26.375 1.00 0.00 C ATOM 718 O ILE A 46 -15.714 -4.270 26.982 1.00 0.00 O ATOM 719 CB ILE A 46 -13.709 -1.423 26.525 1.00 0.00 C ATOM 720 CG1 ILE A 46 -12.602 -0.641 27.237 1.00 0.00 C ATOM 721 CG2 ILE A 46 -15.046 -0.703 26.719 1.00 0.00 C ATOM 722 CD1 ILE A 46 -12.450 0.735 26.585 1.00 0.00 C ATOM 0 H ILE A 46 -11.768 -2.815 26.455 1.00 0.00 H new ATOM 0 HA ILE A 46 -14.081 -2.812 28.166 1.00 0.00 H new ATOM 0 HB ILE A 46 -13.481 -1.488 25.461 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -12.843 -0.530 28.294 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -11.661 -1.188 27.180 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -14.983 0.301 26.300 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -15.835 -1.258 26.212 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -15.274 -0.639 27.783 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -11.662 1.293 27.091 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.190 0.613 25.534 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.390 1.281 26.665 1.00 0.00 H new ATOM 734 N LEU A 47 -14.800 -3.680 25.070 1.00 0.00 N ATOM 735 CA LEU A 47 -15.794 -4.468 24.283 1.00 0.00 C ATOM 736 C LEU A 47 -15.763 -4.033 22.814 1.00 0.00 C ATOM 737 O LEU A 47 -16.687 -3.419 22.323 1.00 0.00 O ATOM 738 CB LEU A 47 -17.153 -4.147 24.908 1.00 0.00 C ATOM 739 CG LEU A 47 -17.665 -5.371 25.670 1.00 0.00 C ATOM 740 CD1 LEU A 47 -18.728 -4.933 26.680 1.00 0.00 C ATOM 741 CD2 LEU A 47 -18.275 -6.370 24.685 1.00 0.00 C ATOM 0 H LEU A 47 -14.104 -3.185 24.513 1.00 0.00 H new ATOM 0 HA LEU A 47 -15.582 -5.537 24.307 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -17.063 -3.296 25.583 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -17.865 -3.864 24.132 1.00 0.00 H new ATOM 0 HG LEU A 47 -16.836 -5.844 26.196 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -19.094 -5.804 27.224 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -18.292 -4.223 27.383 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -19.557 -4.459 26.154 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -18.639 -7.241 25.229 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -19.104 -5.900 24.156 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -17.517 -6.682 23.967 1.00 0.00 H new ATOM 753 N CYS A 48 -14.707 -4.355 22.112 1.00 0.00 N ATOM 754 CA CYS A 48 -14.608 -3.967 20.672 1.00 0.00 C ATOM 755 C CYS A 48 -15.271 -2.605 20.436 1.00 0.00 C ATOM 756 O CYS A 48 -16.468 -2.509 20.252 1.00 0.00 O ATOM 757 CB CYS A 48 -15.350 -5.071 19.919 1.00 0.00 C ATOM 758 SG CYS A 48 -14.558 -6.664 20.256 1.00 0.00 S ATOM 0 H CYS A 48 -13.906 -4.872 22.475 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.575 -3.869 20.339 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.395 -5.099 20.229 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.340 -4.866 18.848 1.00 0.00 H new ATOM 763 N SER A 49 -14.500 -1.551 20.445 1.00 0.00 N ATOM 764 CA SER A 49 -15.084 -0.194 20.232 1.00 0.00 C ATOM 765 C SER A 49 -15.945 -0.158 18.970 1.00 0.00 C ATOM 766 O SER A 49 -17.133 0.085 19.027 1.00 0.00 O ATOM 767 CB SER A 49 -13.883 0.739 20.079 1.00 0.00 C ATOM 768 OG SER A 49 -13.238 0.887 21.335 1.00 0.00 O ATOM 0 H SER A 49 -13.491 -1.570 20.591 1.00 0.00 H new ATOM 0 HA SER A 49 -15.732 0.097 21.059 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.186 0.335 19.345 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.208 1.711 19.708 1.00 0.00 H new ATOM 0 HG SER A 49 -12.569 1.601 21.277 1.00 0.00 H new ATOM 774 N ASN A 50 -15.356 -0.386 17.831 1.00 0.00 N ATOM 775 CA ASN A 50 -16.142 -0.350 16.565 1.00 0.00 C ATOM 776 C ASN A 50 -16.903 -1.666 16.366 1.00 0.00 C ATOM 777 O ASN A 50 -16.302 -2.705 16.170 1.00 0.00 O ATOM 778 CB ASN A 50 -15.100 -0.165 15.462 1.00 0.00 C ATOM 779 CG ASN A 50 -15.125 1.284 14.976 1.00 0.00 C ATOM 780 OD1 ASN A 50 -16.129 1.959 15.091 1.00 0.00 O ATOM 781 ND2 ASN A 50 -14.054 1.796 14.433 1.00 0.00 N ATOM 0 H ASN A 50 -14.364 -0.596 17.720 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.887 0.446 16.567 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.108 -0.417 15.838 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.308 -0.842 14.633 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -14.060 2.762 14.106 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.211 1.230 14.336 1.00 0.00 H new ATOM 788 N PRO A 51 -18.210 -1.577 16.412 1.00 0.00 N ATOM 789 CA PRO A 51 -19.065 -2.774 16.224 1.00 0.00 C ATOM 790 C PRO A 51 -18.888 -3.347 14.813 1.00 0.00 C ATOM 791 O PRO A 51 -19.516 -4.322 14.447 1.00 0.00 O ATOM 792 CB PRO A 51 -20.477 -2.212 16.410 1.00 0.00 C ATOM 793 CG PRO A 51 -20.374 -0.701 16.697 1.00 0.00 C ATOM 794 CD PRO A 51 -18.897 -0.288 16.655 1.00 0.00 C ATOM 0 HA PRO A 51 -18.831 -3.589 16.908 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -21.074 -2.387 15.515 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.980 -2.719 17.233 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.944 -0.137 15.959 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.802 -0.472 17.673 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.700 0.433 15.861 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.578 0.172 17.590 1.00 0.00 H new ATOM 802 N ASN A 52 -18.043 -2.750 14.015 1.00 0.00 N ATOM 803 CA ASN A 52 -17.836 -3.262 12.632 1.00 0.00 C ATOM 804 C ASN A 52 -16.341 -3.347 12.304 1.00 0.00 C ATOM 805 O ASN A 52 -15.938 -3.190 11.167 1.00 0.00 O ATOM 806 CB ASN A 52 -18.526 -2.242 11.727 1.00 0.00 C ATOM 807 CG ASN A 52 -20.019 -2.199 12.052 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.592 -1.137 12.200 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.682 -3.318 12.171 1.00 0.00 N ATOM 0 H ASN A 52 -17.488 -1.931 14.262 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.240 -4.266 12.503 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.084 -1.256 11.869 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.378 -2.510 10.681 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.679 -3.300 12.388 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.203 -4.210 12.047 1.00 0.00 H new ATOM 816 N PHE A 53 -15.515 -3.610 13.281 1.00 0.00 N ATOM 817 CA PHE A 53 -14.052 -3.721 13.000 1.00 0.00 C ATOM 818 C PHE A 53 -13.778 -5.076 12.344 1.00 0.00 C ATOM 819 O PHE A 53 -14.700 -5.825 12.097 1.00 0.00 O ATOM 820 CB PHE A 53 -13.362 -3.610 14.368 1.00 0.00 C ATOM 821 CG PHE A 53 -13.403 -4.942 15.086 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.591 -5.378 15.686 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.249 -5.737 15.162 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.626 -6.605 16.358 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.286 -6.965 15.836 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.476 -7.397 16.433 1.00 0.00 C ATOM 0 H PHE A 53 -15.786 -3.752 14.254 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.686 -2.950 12.322 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.328 -3.292 14.237 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.856 -2.848 14.971 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.480 -4.767 15.630 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.332 -5.402 14.701 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.543 -6.941 16.820 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.398 -7.577 15.895 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.506 -8.343 16.952 1.00 0.00 H new ATOM 836 N PRO A 54 -12.529 -5.358 12.082 1.00 0.00 N ATOM 837 CA PRO A 54 -12.171 -6.647 11.455 1.00 0.00 C ATOM 838 C PRO A 54 -12.727 -7.807 12.283 1.00 0.00 C ATOM 839 O PRO A 54 -12.013 -8.472 13.005 1.00 0.00 O ATOM 840 CB PRO A 54 -10.640 -6.610 11.462 1.00 0.00 C ATOM 841 CG PRO A 54 -10.181 -5.269 12.066 1.00 0.00 C ATOM 842 CD PRO A 54 -11.421 -4.429 12.399 1.00 0.00 C ATOM 0 HA PRO A 54 -12.578 -6.790 10.454 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.245 -7.442 12.045 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.255 -6.719 10.448 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.590 -5.442 12.965 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.542 -4.736 11.362 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.435 -4.122 13.445 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.469 -3.520 11.799 1.00 0.00 H new ATOM 850 N GLU A 55 -14.008 -8.040 12.186 1.00 0.00 N ATOM 851 CA GLU A 55 -14.632 -9.144 12.966 1.00 0.00 C ATOM 852 C GLU A 55 -13.771 -10.403 12.872 1.00 0.00 C ATOM 853 O GLU A 55 -13.667 -11.165 13.813 1.00 0.00 O ATOM 854 CB GLU A 55 -16.000 -9.362 12.322 1.00 0.00 C ATOM 855 CG GLU A 55 -16.772 -10.414 13.121 1.00 0.00 C ATOM 856 CD GLU A 55 -18.101 -10.713 12.427 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.331 -10.156 11.366 1.00 0.00 O ATOM 858 OE2 GLU A 55 -18.866 -11.495 12.968 1.00 0.00 O ATOM 0 H GLU A 55 -14.651 -7.510 11.597 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.724 -8.907 14.026 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.557 -8.425 12.298 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.881 -9.688 11.289 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.181 -11.326 13.206 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.952 -10.055 14.134 1.00 0.00 H new ATOM 865 N GLU A 56 -13.130 -10.621 11.756 1.00 0.00 N ATOM 866 CA GLU A 56 -12.256 -11.822 11.635 1.00 0.00 C ATOM 867 C GLU A 56 -11.253 -11.811 12.789 1.00 0.00 C ATOM 868 O GLU A 56 -10.668 -12.816 13.141 1.00 0.00 O ATOM 869 CB GLU A 56 -11.547 -11.666 10.290 1.00 0.00 C ATOM 870 CG GLU A 56 -12.575 -11.752 9.159 1.00 0.00 C ATOM 871 CD GLU A 56 -11.854 -11.738 7.809 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.656 -11.512 7.803 1.00 0.00 O ATOM 873 OE2 GLU A 56 -12.513 -11.954 6.806 1.00 0.00 O ATOM 0 H GLU A 56 -13.173 -10.025 10.929 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.804 -12.763 11.680 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.026 -10.710 10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.794 -12.445 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.165 -12.663 9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.270 -10.914 9.221 1.00 0.00 H new ATOM 880 N LEU A 57 -11.074 -10.664 13.389 1.00 0.00 N ATOM 881 CA LEU A 57 -10.139 -10.541 14.540 1.00 0.00 C ATOM 882 C LEU A 57 -10.937 -10.621 15.840 1.00 0.00 C ATOM 883 O LEU A 57 -10.429 -10.391 16.923 1.00 0.00 O ATOM 884 CB LEU A 57 -9.496 -9.167 14.376 1.00 0.00 C ATOM 885 CG LEU A 57 -8.511 -9.217 13.211 1.00 0.00 C ATOM 886 CD1 LEU A 57 -9.273 -9.451 11.904 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.744 -7.896 13.131 1.00 0.00 C ATOM 0 H LEU A 57 -11.543 -9.798 13.125 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.387 -11.330 14.571 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.261 -8.413 14.191 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.981 -8.880 15.293 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.806 -10.034 13.368 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.568 -9.486 11.073 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.813 -10.396 11.962 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.981 -8.638 11.745 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.041 -7.933 12.299 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.446 -7.076 12.977 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.198 -7.736 14.060 1.00 0.00 H new ATOM 899 N LYS A 58 -12.190 -10.958 15.730 1.00 0.00 N ATOM 900 CA LYS A 58 -13.045 -11.072 16.940 1.00 0.00 C ATOM 901 C LYS A 58 -12.286 -11.806 18.048 1.00 0.00 C ATOM 902 O LYS A 58 -12.229 -11.333 19.166 1.00 0.00 O ATOM 903 CB LYS A 58 -14.272 -11.871 16.494 1.00 0.00 C ATOM 904 CG LYS A 58 -14.946 -12.496 17.717 1.00 0.00 C ATOM 905 CD LYS A 58 -15.187 -11.415 18.773 1.00 0.00 C ATOM 906 CE LYS A 58 -16.692 -11.209 18.956 1.00 0.00 C ATOM 907 NZ LYS A 58 -16.881 -9.731 18.925 1.00 0.00 N ATOM 0 H LYS A 58 -12.661 -11.160 14.848 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.329 -10.099 17.342 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.973 -11.220 15.972 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.976 -12.650 15.791 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.891 -12.956 17.429 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.318 -13.287 18.127 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.731 -11.707 19.719 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.716 -10.481 18.467 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.257 -11.697 18.162 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.037 -11.632 19.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.890 -9.507 19.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.336 -9.295 19.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.549 -9.358 18.013 1.00 0.00 H new ATOM 921 N PRO A 59 -11.708 -12.935 17.710 1.00 0.00 N ATOM 922 CA PRO A 59 -10.939 -13.708 18.705 1.00 0.00 C ATOM 923 C PRO A 59 -9.881 -12.812 19.349 1.00 0.00 C ATOM 924 O PRO A 59 -9.684 -12.837 20.547 1.00 0.00 O ATOM 925 CB PRO A 59 -10.313 -14.821 17.860 1.00 0.00 C ATOM 926 CG PRO A 59 -10.768 -14.644 16.398 1.00 0.00 C ATOM 927 CD PRO A 59 -11.784 -13.495 16.337 1.00 0.00 C ATOM 0 HA PRO A 59 -11.534 -14.101 19.530 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.226 -14.779 17.925 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.618 -15.798 18.235 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.912 -14.426 15.759 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.216 -15.566 16.027 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.518 -12.756 15.581 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.786 -13.850 16.097 1.00 0.00 H new ATOM 935 N LEU A 60 -9.203 -12.008 18.570 1.00 0.00 N ATOM 936 CA LEU A 60 -8.176 -11.111 19.165 1.00 0.00 C ATOM 937 C LEU A 60 -8.825 -10.261 20.255 1.00 0.00 C ATOM 938 O LEU A 60 -8.260 -10.039 21.306 1.00 0.00 O ATOM 939 CB LEU A 60 -7.694 -10.228 18.015 1.00 0.00 C ATOM 940 CG LEU A 60 -6.645 -10.978 17.193 1.00 0.00 C ATOM 941 CD1 LEU A 60 -7.252 -12.275 16.653 1.00 0.00 C ATOM 942 CD2 LEU A 60 -6.197 -10.100 16.023 1.00 0.00 C ATOM 0 H LEU A 60 -9.316 -11.936 17.559 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.350 -11.660 19.618 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.535 -9.949 17.381 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.270 -9.303 18.407 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.787 -11.214 17.823 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.505 -12.810 16.067 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.576 -12.900 17.486 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.109 -12.040 16.021 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.449 -10.632 15.435 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.056 -9.867 15.393 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.767 -9.175 16.406 1.00 0.00 H new ATOM 954 N CYS A 61 -10.017 -9.790 20.011 1.00 0.00 N ATOM 955 CA CYS A 61 -10.716 -8.958 21.032 1.00 0.00 C ATOM 956 C CYS A 61 -11.001 -9.790 22.286 1.00 0.00 C ATOM 957 O CYS A 61 -11.127 -9.266 23.375 1.00 0.00 O ATOM 958 CB CYS A 61 -12.022 -8.527 20.363 1.00 0.00 C ATOM 959 SG CYS A 61 -12.879 -7.329 21.416 1.00 0.00 S ATOM 0 H CYS A 61 -10.538 -9.945 19.148 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.120 -8.102 21.349 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.814 -8.086 19.388 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.658 -9.395 20.191 1.00 0.00 H new ATOM 964 N LYS A 62 -11.113 -11.083 22.141 1.00 0.00 N ATOM 965 CA LYS A 62 -11.401 -11.946 23.324 1.00 0.00 C ATOM 966 C LYS A 62 -10.103 -12.371 24.019 1.00 0.00 C ATOM 967 O LYS A 62 -10.127 -13.003 25.056 1.00 0.00 O ATOM 968 CB LYS A 62 -12.127 -13.164 22.754 1.00 0.00 C ATOM 969 CG LYS A 62 -13.470 -12.727 22.167 1.00 0.00 C ATOM 970 CD LYS A 62 -14.248 -13.958 21.696 1.00 0.00 C ATOM 971 CE LYS A 62 -15.544 -13.511 21.016 1.00 0.00 C ATOM 972 NZ LYS A 62 -16.616 -14.300 21.685 1.00 0.00 N ATOM 0 H LYS A 62 -11.018 -11.579 21.255 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.996 -11.424 24.074 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.518 -13.637 21.984 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.284 -13.906 23.536 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.047 -12.184 22.916 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.309 -12.044 21.333 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.643 -14.541 21.002 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.474 -14.605 22.543 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.706 -12.440 21.138 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.517 -13.709 19.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.538 -14.051 21.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.438 -15.315 21.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.621 -14.086 22.703 1.00 0.00 H new ATOM 986 N GLU A 63 -8.972 -12.033 23.464 1.00 0.00 N ATOM 987 CA GLU A 63 -7.686 -12.426 24.110 1.00 0.00 C ATOM 988 C GLU A 63 -6.941 -11.184 24.613 1.00 0.00 C ATOM 989 O GLU A 63 -7.038 -10.124 24.026 1.00 0.00 O ATOM 990 CB GLU A 63 -6.885 -13.129 23.014 1.00 0.00 C ATOM 991 CG GLU A 63 -6.743 -12.202 21.808 1.00 0.00 C ATOM 992 CD GLU A 63 -5.771 -12.822 20.803 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.174 -13.741 20.110 1.00 0.00 O ATOM 994 OE2 GLU A 63 -4.641 -12.369 20.744 1.00 0.00 O ATOM 0 H GLU A 63 -8.881 -11.505 22.596 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.842 -13.071 24.974 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.900 -13.406 23.390 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.385 -14.052 22.719 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.715 -12.044 21.341 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.380 -11.225 22.127 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.224 -11.358 25.694 1.00 0.00 N ATOM 1002 CA PRO A 64 -5.456 -10.242 26.297 1.00 0.00 C ATOM 1003 C PRO A 64 -4.360 -9.750 25.344 1.00 0.00 C ATOM 1004 O PRO A 64 -3.830 -8.668 25.503 1.00 0.00 O ATOM 1005 CB PRO A 64 -4.845 -10.892 27.542 1.00 0.00 C ATOM 1006 CG PRO A 64 -5.290 -12.367 27.602 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.148 -12.674 26.368 1.00 0.00 C ATOM 0 HA PRO A 64 -6.066 -9.366 26.517 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.758 -10.827 27.506 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.167 -10.364 28.440 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.420 -13.023 27.630 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.859 -12.553 28.513 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.688 -13.430 25.732 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.135 -13.047 26.643 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.006 -10.536 24.365 1.00 0.00 N ATOM 1016 CA ASN A 65 -2.934 -10.106 23.418 1.00 0.00 C ATOM 1017 C ASN A 65 -3.494 -9.136 22.376 1.00 0.00 C ATOM 1018 O ASN A 65 -2.756 -8.478 21.670 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.459 -11.395 22.747 1.00 0.00 C ATOM 1020 CG ASN A 65 -1.876 -12.336 23.804 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -1.594 -11.925 24.911 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -1.681 -13.592 23.505 1.00 0.00 N ATOM 0 H ASN A 65 -4.410 -11.454 24.179 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.123 -9.585 23.928 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.290 -11.878 22.234 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.706 -11.168 21.992 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.292 -14.228 24.201 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.918 -13.938 22.575 1.00 0.00 H new ATOM 1029 N ALA A 66 -4.790 -9.039 22.270 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.384 -8.106 21.270 1.00 0.00 C ATOM 1031 C ALA A 66 -4.694 -6.741 21.349 1.00 0.00 C ATOM 1032 O ALA A 66 -4.430 -6.110 20.345 1.00 0.00 O ATOM 1033 CB ALA A 66 -6.852 -7.985 21.668 1.00 0.00 C ATOM 0 H ALA A 66 -5.462 -9.563 22.830 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.266 -8.465 20.247 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.362 -7.312 20.978 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.321 -8.968 21.630 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.923 -7.588 22.681 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.404 -6.281 22.535 1.00 0.00 N ATOM 1040 CA GLN A 67 -3.735 -4.956 22.675 1.00 0.00 C ATOM 1041 C GLN A 67 -2.416 -4.949 21.898 1.00 0.00 C ATOM 1042 O GLN A 67 -2.075 -3.982 21.246 1.00 0.00 O ATOM 1043 CB GLN A 67 -3.476 -4.799 24.174 1.00 0.00 C ATOM 1044 CG GLN A 67 -4.812 -4.665 24.909 1.00 0.00 C ATOM 1045 CD GLN A 67 -4.556 -4.523 26.409 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -3.584 -5.039 26.923 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -5.395 -3.840 27.140 1.00 0.00 N ATOM 0 H GLN A 67 -4.601 -6.764 23.412 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.342 -4.141 22.280 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.925 -5.661 24.551 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.858 -3.920 24.357 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.358 -3.797 24.539 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.434 -5.539 24.717 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.211 -3.406 26.709 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.234 -3.740 28.142 1.00 0.00 H new ATOM 1056 N GLU A 68 -1.675 -6.022 21.956 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.385 -6.075 21.211 1.00 0.00 C ATOM 1058 C GLU A 68 -0.647 -6.396 19.736 1.00 0.00 C ATOM 1059 O GLU A 68 0.035 -5.912 18.855 1.00 0.00 O ATOM 1060 CB GLU A 68 0.414 -7.196 21.875 1.00 0.00 C ATOM 1061 CG GLU A 68 0.709 -6.815 23.328 1.00 0.00 C ATOM 1062 CD GLU A 68 1.532 -7.922 23.989 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.676 -8.969 23.378 1.00 0.00 O ATOM 1064 OE2 GLU A 68 2.003 -7.705 25.093 1.00 0.00 O ATOM 0 H GLU A 68 -1.906 -6.862 22.486 1.00 0.00 H new ATOM 0 HA GLU A 68 0.152 -5.127 21.241 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.148 -8.129 21.839 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.346 -7.363 21.335 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.254 -5.871 23.364 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.223 -6.666 23.872 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.634 -7.206 19.464 1.00 0.00 N ATOM 1072 CA ILE A 69 -1.943 -7.554 18.048 1.00 0.00 C ATOM 1073 C ILE A 69 -2.585 -6.355 17.346 1.00 0.00 C ATOM 1074 O ILE A 69 -2.126 -5.908 16.314 1.00 0.00 O ATOM 1075 CB ILE A 69 -2.928 -8.721 18.126 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.271 -9.897 18.851 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.322 -9.148 16.711 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.288 -11.030 19.014 1.00 0.00 C ATOM 0 H ILE A 69 -2.239 -7.641 20.160 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.050 -7.819 17.482 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.818 -8.411 18.674 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.407 -10.248 18.287 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.907 -9.578 19.827 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.024 -9.980 16.764 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.791 -8.310 16.195 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.432 -9.459 16.164 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.820 -11.868 19.531 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.138 -10.675 19.596 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.631 -11.355 18.032 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.643 -5.830 17.901 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.315 -4.658 17.270 1.00 0.00 C ATOM 1092 C LEU A 70 -3.272 -3.628 16.825 1.00 0.00 C ATOM 1093 O LEU A 70 -3.168 -3.304 15.660 1.00 0.00 O ATOM 1094 CB LEU A 70 -5.218 -4.086 18.369 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.776 -2.720 17.947 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.832 -1.614 18.419 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.913 -2.655 16.422 1.00 0.00 C ATOM 0 H LEU A 70 -4.072 -6.162 18.765 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.883 -4.930 16.380 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.039 -4.775 18.569 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.654 -3.985 19.296 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.758 -2.583 18.400 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.229 -0.644 18.119 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.744 -1.650 19.505 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.849 -1.758 17.970 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.310 -1.682 16.133 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.935 -2.799 15.962 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.592 -3.438 16.084 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.498 -3.111 17.740 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.466 -2.103 17.354 1.00 0.00 C ATOM 1111 C GLN A 71 -0.613 -2.640 16.202 1.00 0.00 C ATOM 1112 O GLN A 71 -0.458 -2.000 15.182 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.611 -1.907 18.606 1.00 0.00 C ATOM 1114 CG GLN A 71 -1.458 -1.276 19.712 1.00 0.00 C ATOM 1115 CD GLN A 71 -0.599 -1.090 20.964 1.00 0.00 C ATOM 1116 OE1 GLN A 71 0.473 -1.654 21.069 1.00 0.00 O ATOM 1117 NE2 GLN A 71 -1.025 -0.318 21.926 1.00 0.00 N ATOM 0 H GLN A 71 -2.534 -3.340 18.733 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.910 -1.167 17.015 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.213 -2.865 18.941 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.243 -1.269 18.379 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.851 -0.315 19.381 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.315 -1.911 19.936 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.924 0.156 21.839 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.459 -0.188 22.765 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.062 -3.812 16.359 1.00 0.00 N ATOM 1127 CA ARG A 72 0.779 -4.393 15.274 1.00 0.00 C ATOM 1128 C ARG A 72 -0.017 -4.444 13.966 1.00 0.00 C ATOM 1129 O ARG A 72 0.392 -3.904 12.957 1.00 0.00 O ATOM 1130 CB ARG A 72 1.121 -5.805 15.749 1.00 0.00 C ATOM 1131 CG ARG A 72 2.113 -5.725 16.911 1.00 0.00 C ATOM 1132 CD ARG A 72 2.432 -7.137 17.408 1.00 0.00 C ATOM 1133 NE ARG A 72 3.378 -7.694 16.401 1.00 0.00 N ATOM 1134 CZ ARG A 72 4.062 -8.771 16.673 1.00 0.00 C ATOM 1135 NH1 ARG A 72 3.522 -9.724 17.384 1.00 0.00 N ATOM 1136 NH2 ARG A 72 5.286 -8.895 16.236 1.00 0.00 N ATOM 0 H ARG A 72 -0.158 -4.393 17.192 1.00 0.00 H new ATOM 0 HA ARG A 72 1.675 -3.802 15.082 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.216 -6.323 16.065 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.550 -6.382 14.930 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.027 -5.226 16.589 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.693 -5.129 17.721 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.881 -7.114 18.401 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.529 -7.744 17.480 1.00 0.00 H new ATOM 0 HE ARG A 72 3.491 -7.233 15.498 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.566 -9.626 17.726 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.056 -10.566 17.597 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.708 -8.150 15.682 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.821 -9.737 16.449 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.152 -5.090 13.978 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.976 -5.174 12.739 1.00 0.00 C ATOM 1152 C LEU A 73 -2.106 -3.791 12.098 1.00 0.00 C ATOM 1153 O LEU A 73 -1.859 -3.615 10.922 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.341 -5.675 13.208 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.210 -7.106 13.733 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.597 -7.649 14.084 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.575 -7.987 12.657 1.00 0.00 C ATOM 0 H LEU A 73 -1.544 -5.563 14.792 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.533 -5.832 11.991 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.729 -5.024 13.991 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.054 -5.643 12.384 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.582 -7.111 14.624 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.505 -8.669 14.458 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.050 -7.021 14.851 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.225 -7.645 13.193 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.481 -9.007 13.030 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.203 -7.983 11.766 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.587 -7.600 12.406 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.494 -2.810 12.863 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.643 -1.439 12.299 1.00 0.00 C ATOM 1171 C GLU A 74 -1.327 -0.974 11.666 1.00 0.00 C ATOM 1172 O GLU A 74 -1.320 -0.325 10.640 1.00 0.00 O ATOM 1173 CB GLU A 74 -3.001 -0.554 13.492 1.00 0.00 C ATOM 1174 CG GLU A 74 -4.287 -1.068 14.142 1.00 0.00 C ATOM 1175 CD GLU A 74 -5.458 -0.873 13.178 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -5.301 -0.120 12.231 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -6.491 -1.481 13.403 1.00 0.00 O ATOM 0 H GLU A 74 -2.715 -2.898 13.855 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.402 -1.400 11.517 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.188 -0.557 14.218 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.133 0.478 13.166 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.183 -2.123 14.396 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.475 -0.533 15.073 1.00 0.00 H new ATOM 1184 N GLU A 75 -0.214 -1.296 12.270 1.00 0.00 N ATOM 1185 CA GLU A 75 1.095 -0.864 11.698 1.00 0.00 C ATOM 1186 C GLU A 75 1.395 -1.640 10.413 1.00 0.00 C ATOM 1187 O GLU A 75 1.648 -1.063 9.373 1.00 0.00 O ATOM 1188 CB GLU A 75 2.124 -1.199 12.778 1.00 0.00 C ATOM 1189 CG GLU A 75 3.496 -0.669 12.358 1.00 0.00 C ATOM 1190 CD GLU A 75 4.549 -1.128 13.369 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.185 -1.834 14.295 1.00 0.00 O ATOM 1192 OE2 GLU A 75 5.702 -0.765 13.200 1.00 0.00 O ATOM 0 H GLU A 75 -0.154 -1.838 13.132 1.00 0.00 H new ATOM 0 HA GLU A 75 1.103 0.194 11.437 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.827 -0.756 13.728 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.170 -2.277 12.930 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.749 -1.032 11.362 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.477 0.420 12.305 1.00 0.00 H new ATOM 1199 N ILE A 76 1.364 -2.943 10.473 1.00 0.00 N ATOM 1200 CA ILE A 76 1.644 -3.749 9.251 1.00 0.00 C ATOM 1201 C ILE A 76 0.549 -3.506 8.212 1.00 0.00 C ATOM 1202 O ILE A 76 0.786 -3.551 7.020 1.00 0.00 O ATOM 1203 CB ILE A 76 1.625 -5.201 9.720 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.740 -5.420 10.743 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.845 -6.125 8.520 1.00 0.00 C ATOM 1206 CD1 ILE A 76 2.750 -6.884 11.182 1.00 0.00 C ATOM 0 H ILE A 76 1.157 -3.483 11.313 1.00 0.00 H new ATOM 0 HA ILE A 76 2.595 -3.488 8.787 1.00 0.00 H new ATOM 0 HB ILE A 76 0.662 -5.423 10.179 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.704 -5.153 10.309 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.588 -4.772 11.606 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.832 -7.163 8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.051 -5.968 7.790 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.809 -5.903 8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.545 -7.040 11.911 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.790 -7.135 11.633 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.922 -7.522 10.316 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.646 -3.238 8.657 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.756 -2.980 7.699 1.00 0.00 C ATOM 1220 C ALA A 77 -1.491 -1.675 6.951 1.00 0.00 C ATOM 1221 O ALA A 77 -1.808 -1.535 5.786 1.00 0.00 O ATOM 1222 CB ALA A 77 -3.008 -2.860 8.564 1.00 0.00 C ATOM 0 H ALA A 77 -0.902 -3.186 9.643 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.859 -3.767 6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.873 -2.669 7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.160 -3.789 9.114 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.886 -2.037 9.268 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.903 -0.720 7.616 1.00 0.00 N ATOM 1229 CA GLU A 78 -0.605 0.580 6.954 1.00 0.00 C ATOM 1230 C GLU A 78 0.823 0.565 6.402 1.00 0.00 C ATOM 1231 O GLU A 78 1.386 1.591 6.079 1.00 0.00 O ATOM 1232 CB GLU A 78 -0.742 1.623 8.059 1.00 0.00 C ATOM 1233 CG GLU A 78 -2.164 1.582 8.623 1.00 0.00 C ATOM 1234 CD GLU A 78 -2.306 2.629 9.729 1.00 0.00 C ATOM 1235 OE1 GLU A 78 -1.296 3.191 10.119 1.00 0.00 O ATOM 1236 OE2 GLU A 78 -3.423 2.851 10.167 1.00 0.00 O ATOM 0 H GLU A 78 -0.615 -0.784 8.592 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.271 0.786 6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.019 1.427 8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.523 2.616 7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.887 1.775 7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.381 0.589 9.017 1.00 0.00 H new ATOM 1243 N ASP A 79 1.406 -0.595 6.291 1.00 0.00 N ATOM 1244 CA ASP A 79 2.796 -0.689 5.759 1.00 0.00 C ATOM 1245 C ASP A 79 3.158 -2.154 5.482 1.00 0.00 C ATOM 1246 O ASP A 79 3.014 -2.998 6.343 1.00 0.00 O ATOM 1247 CB ASP A 79 3.686 -0.118 6.862 1.00 0.00 C ATOM 1248 CG ASP A 79 4.945 0.488 6.237 1.00 0.00 C ATOM 1249 OD1 ASP A 79 4.870 0.913 5.096 1.00 0.00 O ATOM 1250 OD2 ASP A 79 5.962 0.515 6.911 1.00 0.00 O ATOM 0 H ASP A 79 0.979 -1.486 6.546 1.00 0.00 H new ATOM 0 HA ASP A 79 2.915 -0.148 4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.144 0.642 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.959 -0.903 7.567 1.00 0.00 H new ATOM 1255 N PRO A 80 3.619 -2.409 4.284 1.00 0.00 N ATOM 1256 CA PRO A 80 4.007 -3.783 3.888 1.00 0.00 C ATOM 1257 C PRO A 80 5.150 -4.298 4.766 1.00 0.00 C ATOM 1258 O PRO A 80 4.952 -5.123 5.636 1.00 0.00 O ATOM 1259 CB PRO A 80 4.465 -3.598 2.438 1.00 0.00 C ATOM 1260 CG PRO A 80 4.320 -2.111 2.059 1.00 0.00 C ATOM 1261 CD PRO A 80 3.777 -1.342 3.269 1.00 0.00 C ATOM 0 HA PRO A 80 3.204 -4.512 3.996 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.501 -3.917 2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.866 -4.218 1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.284 -1.704 1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.646 -2.002 1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.468 -0.566 3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.830 -0.851 3.046 1.00 0.00 H new ATOM 1269 N GLY A 81 6.345 -3.827 4.544 1.00 0.00 N ATOM 1270 CA GLY A 81 7.495 -4.302 5.365 1.00 0.00 C ATOM 1271 C GLY A 81 7.943 -5.671 4.853 1.00 0.00 C ATOM 1272 O GLY A 81 7.949 -5.928 3.665 1.00 0.00 O ATOM 0 H GLY A 81 6.576 -3.135 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.319 -3.590 5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.206 -4.369 6.414 1.00 0.00 H new ATOM 1276 N THR A 82 8.313 -6.556 5.737 1.00 0.00 N ATOM 1277 CA THR A 82 8.752 -7.910 5.294 1.00 0.00 C ATOM 1278 C THR A 82 7.531 -8.778 4.979 1.00 0.00 C ATOM 1279 O THR A 82 7.609 -9.736 4.236 1.00 0.00 O ATOM 1280 CB THR A 82 9.527 -8.485 6.481 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.655 -8.608 7.596 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.687 -7.554 6.837 1.00 0.00 C ATOM 0 H THR A 82 8.331 -6.401 6.745 1.00 0.00 H new ATOM 0 HA THR A 82 9.362 -7.874 4.391 1.00 0.00 H new ATOM 0 HB THR A 82 9.922 -9.466 6.217 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.099 -9.119 8.304 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.238 -7.966 7.683 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.355 -7.460 5.980 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.297 -6.571 7.102 1.00 0.00 H new ATOM 1290 N CYS A 83 6.403 -8.447 5.541 1.00 0.00 N ATOM 1291 CA CYS A 83 5.177 -9.251 5.275 1.00 0.00 C ATOM 1292 C CYS A 83 4.945 -9.364 3.766 1.00 0.00 C ATOM 1293 O CYS A 83 4.768 -10.442 3.233 1.00 0.00 O ATOM 1294 CB CYS A 83 4.041 -8.472 5.942 1.00 0.00 C ATOM 1295 SG CYS A 83 2.593 -9.541 6.124 1.00 0.00 S ATOM 0 H CYS A 83 6.276 -7.656 6.172 1.00 0.00 H new ATOM 0 HA CYS A 83 5.251 -10.267 5.662 1.00 0.00 H new ATOM 0 HB2 CYS A 83 4.361 -8.108 6.918 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.786 -7.597 5.343 1.00 0.00 H new ATOM 1300 N GLU A 84 4.932 -8.258 3.077 1.00 0.00 N ATOM 1301 CA GLU A 84 4.697 -8.292 1.605 1.00 0.00 C ATOM 1302 C GLU A 84 5.754 -9.147 0.897 1.00 0.00 C ATOM 1303 O GLU A 84 5.480 -9.768 -0.111 1.00 0.00 O ATOM 1304 CB GLU A 84 4.806 -6.836 1.157 1.00 0.00 C ATOM 1305 CG GLU A 84 4.474 -6.736 -0.333 1.00 0.00 C ATOM 1306 CD GLU A 84 4.708 -5.302 -0.813 1.00 0.00 C ATOM 1307 OE1 GLU A 84 5.137 -4.492 -0.007 1.00 0.00 O ATOM 1308 OE2 GLU A 84 4.452 -5.038 -1.976 1.00 0.00 O ATOM 0 H GLU A 84 5.074 -7.328 3.470 1.00 0.00 H new ATOM 0 HA GLU A 84 3.730 -8.732 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.123 -6.214 1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.813 -6.461 1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.096 -7.427 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.437 -7.024 -0.505 1.00 0.00 H new ATOM 1315 N ILE A 85 6.959 -9.180 1.399 1.00 0.00 N ATOM 1316 CA ILE A 85 8.015 -9.994 0.728 1.00 0.00 C ATOM 1317 C ILE A 85 8.140 -11.366 1.398 1.00 0.00 C ATOM 1318 O ILE A 85 9.069 -12.109 1.148 1.00 0.00 O ATOM 1319 CB ILE A 85 9.305 -9.185 0.885 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.737 -9.177 2.351 1.00 0.00 C ATOM 1321 CG2 ILE A 85 9.062 -7.746 0.422 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.862 -8.160 2.544 1.00 0.00 C ATOM 0 H ILE A 85 7.257 -8.683 2.238 1.00 0.00 H new ATOM 0 HA ILE A 85 7.785 -10.183 -0.321 1.00 0.00 H new ATOM 0 HB ILE A 85 10.089 -9.640 0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.890 -8.925 2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.075 -10.170 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.980 -7.168 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.758 -7.747 -0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.275 -7.297 1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 85 11.171 -8.153 3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.711 -8.433 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.508 -7.168 2.264 1.00 0.00 H new ATOM 1334 N CYS A 86 7.206 -11.712 2.243 1.00 0.00 N ATOM 1335 CA CYS A 86 7.264 -13.040 2.923 1.00 0.00 C ATOM 1336 C CYS A 86 8.564 -13.180 3.721 1.00 0.00 C ATOM 1337 O CYS A 86 8.926 -14.258 4.148 1.00 0.00 O ATOM 1338 CB CYS A 86 7.219 -14.066 1.791 1.00 0.00 C ATOM 1339 SG CYS A 86 5.621 -14.915 1.807 1.00 0.00 S ATOM 0 H CYS A 86 6.405 -11.132 2.492 1.00 0.00 H new ATOM 0 HA CYS A 86 6.446 -13.173 3.631 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.370 -13.571 0.832 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.027 -14.788 1.908 1.00 0.00 H new ATOM 1344 N ALA A 87 9.267 -12.101 3.928 1.00 0.00 N ATOM 1345 CA ALA A 87 10.539 -12.183 4.702 1.00 0.00 C ATOM 1346 C ALA A 87 10.239 -12.528 6.163 1.00 0.00 C ATOM 1347 O ALA A 87 11.116 -12.902 6.916 1.00 0.00 O ATOM 1348 CB ALA A 87 11.160 -10.790 4.596 1.00 0.00 C ATOM 0 H ALA A 87 9.018 -11.169 3.596 1.00 0.00 H new ATOM 0 HA ALA A 87 11.208 -12.954 4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.103 -10.769 5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.342 -10.552 3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.478 -10.054 5.022 1.00 0.00 H new ATOM 1354 N TYR A 88 9.005 -12.404 6.566 1.00 0.00 N ATOM 1355 CA TYR A 88 8.644 -12.723 7.977 1.00 0.00 C ATOM 1356 C TYR A 88 7.327 -13.502 8.026 1.00 0.00 C ATOM 1357 O TYR A 88 6.596 -13.568 7.058 1.00 0.00 O ATOM 1358 CB TYR A 88 8.484 -11.366 8.661 1.00 0.00 C ATOM 1359 CG TYR A 88 9.792 -10.966 9.300 1.00 0.00 C ATOM 1360 CD1 TYR A 88 10.882 -10.606 8.499 1.00 0.00 C ATOM 1361 CD2 TYR A 88 9.913 -10.952 10.694 1.00 0.00 C ATOM 1362 CE1 TYR A 88 12.094 -10.235 9.092 1.00 0.00 C ATOM 1363 CE2 TYR A 88 11.125 -10.580 11.288 1.00 0.00 C ATOM 1364 CZ TYR A 88 12.216 -10.222 10.487 1.00 0.00 C ATOM 1365 OH TYR A 88 13.410 -9.853 11.072 1.00 0.00 O ATOM 0 H TYR A 88 8.230 -12.095 5.979 1.00 0.00 H new ATOM 0 HA TYR A 88 9.398 -13.342 8.464 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.178 -10.614 7.934 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.699 -11.418 9.416 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.788 -10.615 7.423 1.00 0.00 H new ATOM 0 HD2 TYR A 88 9.071 -11.228 11.312 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.935 -9.959 8.474 1.00 0.00 H new ATOM 0 HE2 TYR A 88 11.218 -10.569 12.364 1.00 0.00 H new ATOM 0 HH TYR A 88 13.324 -9.897 12.047 1.00 0.00 H new ATOM 1375 N ALA A 89 7.022 -14.092 9.147 1.00 0.00 N ATOM 1376 CA ALA A 89 5.752 -14.866 9.264 1.00 0.00 C ATOM 1377 C ALA A 89 4.553 -13.913 9.330 1.00 0.00 C ATOM 1378 O ALA A 89 3.425 -14.332 9.493 1.00 0.00 O ATOM 1379 CB ALA A 89 5.887 -15.650 10.567 1.00 0.00 C ATOM 0 H ALA A 89 7.597 -14.073 9.989 1.00 0.00 H new ATOM 0 HA ALA A 89 5.587 -15.521 8.409 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.990 -16.248 10.727 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.755 -16.307 10.508 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.013 -14.956 11.398 1.00 0.00 H new ATOM 1385 N ALA A 90 4.789 -12.634 9.206 1.00 0.00 N ATOM 1386 CA ALA A 90 3.664 -11.657 9.263 1.00 0.00 C ATOM 1387 C ALA A 90 2.694 -11.892 8.102 1.00 0.00 C ATOM 1388 O ALA A 90 1.492 -11.804 8.259 1.00 0.00 O ATOM 1389 CB ALA A 90 4.327 -10.285 9.134 1.00 0.00 C ATOM 0 H ALA A 90 5.713 -12.224 9.068 1.00 0.00 H new ATOM 0 HA ALA A 90 3.085 -11.749 10.182 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.564 -9.508 9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.028 -10.141 9.956 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.863 -10.227 8.186 1.00 0.00 H new ATOM 1395 N CYS A 91 3.206 -12.184 6.938 1.00 0.00 N ATOM 1396 CA CYS A 91 2.311 -12.417 5.768 1.00 0.00 C ATOM 1397 C CYS A 91 2.200 -13.910 5.467 1.00 0.00 C ATOM 1398 O CYS A 91 3.177 -14.570 5.169 1.00 0.00 O ATOM 1399 CB CYS A 91 2.984 -11.693 4.609 1.00 0.00 C ATOM 1400 SG CYS A 91 2.162 -10.104 4.337 1.00 0.00 S ATOM 0 H CYS A 91 4.204 -12.271 6.746 1.00 0.00 H new ATOM 0 HA CYS A 91 1.299 -12.055 5.949 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.040 -11.536 4.828 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.932 -12.301 3.706 1.00 0.00 H new ATOM 1405 N THR A 92 1.018 -14.448 5.548 1.00 0.00 N ATOM 1406 CA THR A 92 0.845 -15.901 5.272 1.00 0.00 C ATOM 1407 C THR A 92 0.044 -16.105 3.985 1.00 0.00 C ATOM 1408 O THR A 92 -0.306 -17.211 3.624 1.00 0.00 O ATOM 1409 CB THR A 92 0.073 -16.428 6.476 1.00 0.00 C ATOM 1410 OG1 THR A 92 0.636 -15.890 7.667 1.00 0.00 O ATOM 1411 CG2 THR A 92 0.157 -17.954 6.512 1.00 0.00 C ATOM 0 H THR A 92 0.164 -13.946 5.793 1.00 0.00 H new ATOM 0 HA THR A 92 1.795 -16.417 5.133 1.00 0.00 H new ATOM 0 HB THR A 92 -0.972 -16.128 6.399 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.526 -16.531 8.400 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.396 -18.329 7.374 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.274 -18.364 5.598 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.201 -18.259 6.590 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.240 -15.042 3.288 1.00 0.00 N ATOM 1420 CA GLY A 93 -1.010 -15.165 2.017 1.00 0.00 C ATOM 1421 C GLY A 93 -0.100 -15.746 0.932 1.00 0.00 C ATOM 1422 O GLY A 93 -0.398 -16.760 0.335 1.00 0.00 O ATOM 0 H GLY A 93 0.027 -14.091 3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.877 -15.809 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.386 -14.189 1.709 1.00 0.00 H new ATOM 1426 N CYS A 94 1.010 -15.109 0.674 1.00 0.00 N ATOM 1427 CA CYS A 94 1.942 -15.621 -0.370 1.00 0.00 C ATOM 1428 C CYS A 94 2.119 -17.134 -0.228 1.00 0.00 C ATOM 1429 O CYS A 94 2.546 -17.565 0.830 1.00 0.00 O ATOM 1430 CB CYS A 94 3.262 -14.898 -0.105 1.00 0.00 C ATOM 1431 SG CYS A 94 3.669 -15.006 1.655 1.00 0.00 S ATOM 1432 OXT CYS A 94 1.824 -17.837 -1.180 1.00 0.00 O ATOM 0 H CYS A 94 1.312 -14.255 1.142 1.00 0.00 H new ATOM 0 HA CYS A 94 1.572 -15.441 -1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 94 4.059 -15.343 -0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 94 3.184 -13.854 -0.407 1.00 0.00 H new TER 1437 CYS A 94