USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 0 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 60 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.012) USER MOD Set 1.2: A 78 SER OG : rot -86:sc= 0.185 USER MOD Set 2.1: A 25 SER OG : rot 159:sc= 0.565 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -171:sc= 0.0498 (180deg=0) USER MOD Set 3.1: A 20 SER OG : rot -79:sc= 1.76 USER MOD Set 3.2: A 58 TYR OH : rot 114:sc= 0.618 USER MOD Single : A 1 VAL N :NH3+ -158:sc= -0.0409 (180deg=-0.628) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 22 GLN : amide:sc= 0.231 K(o=0.23,f=-5.2!) USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= 0.0875 (180deg=-0.00343) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0.073) USER MOD Single : A 29 GLN : amide:sc= -0.0767 K(o=-0.077,f=-0.59) USER MOD Single : A 30 HIS : no HD1:sc= 0.284 K(o=0.28,f=-2.9!) USER MOD Single : A 32 THR OG1 : rot -73:sc= 1.24 USER MOD Single : A 35 SER OG : rot 39:sc= 0.408 USER MOD Single : A 37 SER OG : rot 140:sc= -0.63 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 44:sc= 0.483 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -59:sc= 0.8 USER MOD Single : A 80 THR OG1 : rot -154:sc= 0.185 USER MOD Single : A 81 ASN : amide:sc= -0.0793 X(o=-0.079,f=-0.079) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.0509 X(o=0.051,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0.102 K(o=0.1,f=-2) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -11.098 4.234 19.526 1.00 0.00 N ATOM 2 CA VAL A 1 -9.734 3.788 19.949 1.00 0.00 C ATOM 3 C VAL A 1 -9.788 2.769 21.159 1.00 0.00 C ATOM 4 O VAL A 1 -9.155 1.720 20.997 1.00 0.00 O ATOM 5 CB VAL A 1 -8.787 5.031 20.144 1.00 0.00 C ATOM 6 CG1 VAL A 1 -7.392 4.680 20.715 1.00 0.00 C ATOM 7 CG2 VAL A 1 -8.527 5.813 18.832 1.00 0.00 C ATOM 0 H1 VAL A 1 -11.062 4.579 18.545 1.00 0.00 H new ATOM 0 H2 VAL A 1 -11.760 3.434 19.588 1.00 0.00 H new ATOM 0 H3 VAL A 1 -11.422 5.000 20.151 1.00 0.00 H new ATOM 0 HA VAL A 1 -9.279 3.203 19.150 1.00 0.00 H new ATOM 0 HB VAL A 1 -9.343 5.638 20.859 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -6.802 5.590 20.819 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -7.506 4.208 21.691 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -6.884 3.994 20.038 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -7.868 6.657 19.036 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -8.057 5.153 18.102 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -9.473 6.180 18.434 1.00 0.00 H new ATOM 8 N PRO A 2 -10.456 2.952 22.349 1.00 0.00 N ATOM 9 CA PRO A 2 -10.437 1.939 23.455 1.00 0.00 C ATOM 10 C PRO A 2 -10.964 0.489 23.171 1.00 0.00 C ATOM 11 O PRO A 2 -10.391 -0.479 23.676 1.00 0.00 O ATOM 12 CB PRO A 2 -11.249 2.648 24.561 1.00 0.00 C ATOM 13 CG PRO A 2 -11.150 4.140 24.245 1.00 0.00 C ATOM 14 CD PRO A 2 -11.163 4.193 22.720 1.00 0.00 C ATOM 0 HA PRO A 2 -9.403 1.691 23.694 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.287 2.315 24.561 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.843 2.428 25.548 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.986 4.695 24.671 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -10.237 4.575 24.652 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.178 4.215 22.324 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.653 5.079 22.341 1.00 0.00 H new ATOM 15 N ASP A 3 -12.042 0.334 22.384 1.00 0.00 N ATOM 16 CA ASP A 3 -12.636 -0.990 22.041 1.00 0.00 C ATOM 17 C ASP A 3 -12.527 -1.313 20.498 1.00 0.00 C ATOM 18 O ASP A 3 -13.541 -1.188 19.802 1.00 0.00 O ATOM 19 CB ASP A 3 -14.082 -1.031 22.626 1.00 0.00 C ATOM 20 CG ASP A 3 -15.080 0.098 22.325 1.00 0.00 C ATOM 21 OD1 ASP A 3 -15.355 0.222 20.996 1.00 0.00 O ATOM 22 OD2 ASP A 3 -15.572 0.802 23.200 1.00 0.00 O ATOM 0 H ASP A 3 -12.535 1.120 21.961 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.069 -1.801 22.499 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.539 -1.962 22.289 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.988 -1.096 23.710 1.00 0.00 H new ATOM 23 N PRO A 4 -11.375 -1.771 19.916 1.00 0.00 N ATOM 24 CA PRO A 4 -11.270 -2.036 18.444 1.00 0.00 C ATOM 25 C PRO A 4 -11.974 -3.311 17.852 1.00 0.00 C ATOM 26 O PRO A 4 -12.302 -3.298 16.666 1.00 0.00 O ATOM 27 CB PRO A 4 -9.740 -2.040 18.244 1.00 0.00 C ATOM 28 CG PRO A 4 -9.150 -2.476 19.586 1.00 0.00 C ATOM 29 CD PRO A 4 -10.074 -1.832 20.617 1.00 0.00 C ATOM 0 HA PRO A 4 -11.828 -1.286 17.884 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.451 -2.726 17.448 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -9.379 -1.051 17.960 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.137 -3.562 19.683 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -8.122 -2.133 19.701 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.136 -2.426 21.529 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -9.726 -0.840 20.906 1.00 0.00 H new ATOM 30 N ARG A 5 -12.193 -4.387 18.640 1.00 0.00 N ATOM 31 CA ARG A 5 -12.876 -5.650 18.212 1.00 0.00 C ATOM 32 C ARG A 5 -12.014 -6.510 17.215 1.00 0.00 C ATOM 33 O ARG A 5 -11.956 -6.250 16.010 1.00 0.00 O ATOM 34 CB ARG A 5 -14.323 -5.374 17.698 1.00 0.00 C ATOM 35 CG ARG A 5 -15.227 -6.626 17.596 1.00 0.00 C ATOM 36 CD ARG A 5 -16.620 -6.289 17.044 1.00 0.00 C ATOM 37 NE ARG A 5 -17.438 -7.527 16.977 1.00 0.00 N ATOM 38 CZ ARG A 5 -18.636 -7.619 16.412 1.00 0.00 C ATOM 39 NH1 ARG A 5 -19.262 -6.619 15.846 1.00 0.00 N ATOM 40 NH2 ARG A 5 -19.223 -8.775 16.419 1.00 0.00 N ATOM 0 H ARG A 5 -11.897 -4.412 19.616 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.976 -6.272 19.102 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.798 -4.654 18.364 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.261 -4.907 16.715 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.751 -7.365 16.951 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -15.328 -7.081 18.581 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -17.108 -5.552 17.682 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.532 -5.844 16.053 1.00 0.00 H new ATOM 0 HE ARG A 5 -17.050 -8.371 17.397 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -18.829 -5.696 15.820 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -20.182 -6.763 15.431 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -18.764 -9.578 16.850 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -20.144 -8.882 15.994 1.00 0.00 H new ATOM 41 N GLY A 6 -11.377 -7.583 17.720 1.00 0.00 N ATOM 42 CA GLY A 6 -10.590 -8.531 16.872 1.00 0.00 C ATOM 43 C GLY A 6 -11.415 -9.583 16.098 1.00 0.00 C ATOM 44 O GLY A 6 -11.434 -10.767 16.430 1.00 0.00 O ATOM 0 H GLY A 6 -11.385 -7.825 18.711 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.010 -7.951 16.154 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -9.877 -9.053 17.510 1.00 0.00 H new ATOM 45 N ILE A 7 -12.067 -9.104 15.045 1.00 0.00 N ATOM 46 CA ILE A 7 -13.077 -9.884 14.259 1.00 0.00 C ATOM 47 C ILE A 7 -12.569 -10.902 13.160 1.00 0.00 C ATOM 48 O ILE A 7 -13.396 -11.638 12.622 1.00 0.00 O ATOM 49 CB ILE A 7 -14.051 -8.774 13.695 1.00 0.00 C ATOM 50 CG1 ILE A 7 -15.441 -9.358 13.319 1.00 0.00 C ATOM 51 CG2 ILE A 7 -13.464 -7.981 12.489 1.00 0.00 C ATOM 52 CD1 ILE A 7 -16.547 -8.294 13.247 1.00 0.00 C ATOM 0 H ILE A 7 -11.924 -8.158 14.692 1.00 0.00 H new ATOM 0 HA ILE A 7 -13.552 -10.610 14.919 1.00 0.00 H new ATOM 0 HB ILE A 7 -14.173 -8.066 14.515 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -15.367 -9.862 12.355 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -15.721 -10.114 14.053 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -14.188 -7.237 12.156 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.545 -7.481 12.795 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -13.248 -8.669 11.672 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -17.491 -8.768 12.980 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -16.647 -7.807 14.217 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -16.288 -7.551 12.493 1.00 0.00 H new ATOM 53 N ILE A 8 -11.256 -10.959 12.838 1.00 0.00 N ATOM 54 CA ILE A 8 -10.660 -11.791 11.729 1.00 0.00 C ATOM 55 C ILE A 8 -10.861 -10.987 10.389 1.00 0.00 C ATOM 56 O ILE A 8 -11.988 -10.758 9.937 1.00 0.00 O ATOM 57 CB ILE A 8 -11.115 -13.302 11.633 1.00 0.00 C ATOM 58 CG1 ILE A 8 -10.915 -14.078 12.973 1.00 0.00 C ATOM 59 CG2 ILE A 8 -10.351 -14.059 10.511 1.00 0.00 C ATOM 60 CD1 ILE A 8 -11.699 -15.400 13.081 1.00 0.00 C ATOM 0 H ILE A 8 -10.553 -10.421 13.344 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.603 -11.929 11.959 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.180 -13.269 11.402 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.853 -14.291 13.097 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.209 -13.430 13.799 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.690 -15.094 10.475 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.545 -13.580 9.551 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.281 -14.035 10.719 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -11.496 -15.866 14.045 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.767 -15.198 12.993 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -11.390 -16.073 12.281 1.00 0.00 H new ATOM 61 N ILE A 9 -9.762 -10.583 9.726 1.00 0.00 N ATOM 62 CA ILE A 9 -9.828 -9.700 8.517 1.00 0.00 C ATOM 63 C ILE A 9 -9.783 -10.503 7.173 1.00 0.00 C ATOM 64 O ILE A 9 -9.107 -11.525 7.017 1.00 0.00 O ATOM 65 CB ILE A 9 -8.722 -8.595 8.542 1.00 0.00 C ATOM 66 CG1 ILE A 9 -7.267 -9.136 8.543 1.00 0.00 C ATOM 67 CG2 ILE A 9 -8.951 -7.611 9.713 1.00 0.00 C ATOM 68 CD1 ILE A 9 -6.240 -8.108 8.044 1.00 0.00 C ATOM 0 H ILE A 9 -8.814 -10.846 9.996 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.800 -9.208 8.561 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.826 -8.061 7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.001 -9.444 9.554 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.216 -10.025 7.915 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.169 -6.852 9.709 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.923 -7.131 9.600 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.923 -8.156 10.657 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.243 -8.548 8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.483 -7.818 7.022 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.265 -7.228 8.687 1.00 0.00 H new ATOM 69 N ASN A 10 -10.599 -10.032 6.225 1.00 0.00 N ATOM 70 CA ASN A 10 -10.808 -10.725 4.910 1.00 0.00 C ATOM 71 C ASN A 10 -11.225 -9.823 3.682 1.00 0.00 C ATOM 72 O ASN A 10 -12.059 -10.243 2.875 1.00 0.00 O ATOM 73 CB ASN A 10 -11.766 -11.945 5.153 1.00 0.00 C ATOM 74 CG ASN A 10 -13.122 -11.677 5.823 1.00 0.00 C ATOM 75 OD1 ASN A 10 -14.107 -11.313 5.196 1.00 0.00 O ATOM 76 ND2 ASN A 10 -13.198 -11.816 7.123 1.00 0.00 N ATOM 0 H ASN A 10 -11.136 -9.171 6.326 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.829 -11.066 4.572 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -11.958 -12.416 4.189 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -11.231 -12.673 5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.075 -11.621 7.606 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -12.380 -12.119 7.652 1.00 0.00 H new ATOM 77 N LEU A 11 -10.629 -8.637 3.447 1.00 0.00 N ATOM 78 CA LEU A 11 -11.058 -7.718 2.366 1.00 0.00 C ATOM 79 C LEU A 11 -10.041 -7.685 1.164 1.00 0.00 C ATOM 80 O LEU A 11 -8.838 -7.481 1.332 1.00 0.00 O ATOM 81 CB LEU A 11 -11.318 -6.385 3.130 1.00 0.00 C ATOM 82 CG LEU A 11 -11.798 -5.209 2.273 1.00 0.00 C ATOM 83 CD1 LEU A 11 -13.225 -5.437 1.743 1.00 0.00 C ATOM 84 CD2 LEU A 11 -11.753 -3.885 3.055 1.00 0.00 C ATOM 0 H LEU A 11 -9.842 -8.288 3.995 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.959 -8.019 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.060 -6.572 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.397 -6.091 3.634 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.114 -5.145 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.530 -4.582 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.246 -6.339 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.911 -5.552 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.100 -3.073 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.397 -3.958 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.730 -3.685 3.373 1.00 0.00 H new ATOM 85 N ASP A 12 -10.513 -7.899 -0.075 1.00 0.00 N ATOM 86 CA ASP A 12 -9.643 -7.877 -1.290 1.00 0.00 C ATOM 87 C ASP A 12 -9.326 -6.436 -1.841 1.00 0.00 C ATOM 88 O ASP A 12 -9.877 -5.415 -1.416 1.00 0.00 O ATOM 89 CB ASP A 12 -10.345 -8.769 -2.356 1.00 0.00 C ATOM 90 CG ASP A 12 -10.302 -10.270 -2.083 1.00 0.00 C ATOM 91 OD1 ASP A 12 -9.110 -10.828 -2.444 1.00 0.00 O ATOM 92 OD2 ASP A 12 -11.232 -10.892 -1.584 1.00 0.00 O ATOM 0 H ASP A 12 -11.495 -8.091 -0.275 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.659 -8.265 -1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.388 -8.461 -2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.883 -8.580 -3.325 1.00 0.00 H new ATOM 93 N GLU A 13 -8.416 -6.381 -2.829 1.00 0.00 N ATOM 94 CA GLU A 13 -8.033 -5.129 -3.539 1.00 0.00 C ATOM 95 C GLU A 13 -9.210 -4.562 -4.407 1.00 0.00 C ATOM 96 O GLU A 13 -9.984 -5.304 -5.019 1.00 0.00 O ATOM 97 CB GLU A 13 -6.783 -5.383 -4.432 1.00 0.00 C ATOM 98 CG GLU A 13 -5.478 -5.887 -3.760 1.00 0.00 C ATOM 99 CD GLU A 13 -5.296 -7.386 -3.489 1.00 0.00 C ATOM 100 OE1 GLU A 13 -6.192 -8.164 -3.171 1.00 0.00 O ATOM 101 OE2 GLU A 13 -3.992 -7.757 -3.602 1.00 0.00 O ATOM 0 H GLU A 13 -7.917 -7.204 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.795 -4.382 -2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.064 -6.109 -5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.551 -4.452 -4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.644 -5.565 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.381 -5.369 -2.806 1.00 0.00 H new ATOM 102 N GLY A 14 -9.317 -3.232 -4.461 1.00 0.00 N ATOM 103 CA GLY A 14 -10.467 -2.538 -5.121 1.00 0.00 C ATOM 104 C GLY A 14 -11.620 -2.036 -4.205 1.00 0.00 C ATOM 105 O GLY A 14 -12.565 -1.429 -4.708 1.00 0.00 O ATOM 0 H GLY A 14 -8.627 -2.597 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.074 -1.681 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.894 -3.219 -5.858 1.00 0.00 H new ATOM 106 N GLU A 15 -11.553 -2.276 -2.885 1.00 0.00 N ATOM 107 CA GLU A 15 -12.600 -1.889 -1.906 1.00 0.00 C ATOM 108 C GLU A 15 -12.097 -0.774 -0.932 1.00 0.00 C ATOM 109 O GLU A 15 -10.912 -0.693 -0.583 1.00 0.00 O ATOM 110 CB GLU A 15 -12.998 -3.170 -1.121 1.00 0.00 C ATOM 111 CG GLU A 15 -13.748 -4.276 -1.917 1.00 0.00 C ATOM 112 CD GLU A 15 -15.152 -3.929 -2.414 1.00 0.00 C ATOM 113 OE1 GLU A 15 -15.806 -2.957 -2.047 1.00 0.00 O ATOM 114 OE2 GLU A 15 -15.609 -4.839 -3.313 1.00 0.00 O ATOM 0 H GLU A 15 -10.760 -2.752 -2.454 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.461 -1.474 -2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.091 -3.608 -0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.625 -2.872 -0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.139 -4.548 -2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.819 -5.161 -1.285 1.00 0.00 H new ATOM 115 N LEU A 16 -13.021 0.082 -0.468 1.00 0.00 N ATOM 116 CA LEU A 16 -12.688 1.224 0.432 1.00 0.00 C ATOM 117 C LEU A 16 -12.282 0.776 1.887 1.00 0.00 C ATOM 118 O LEU A 16 -12.970 -0.021 2.532 1.00 0.00 O ATOM 119 CB LEU A 16 -13.905 2.194 0.429 1.00 0.00 C ATOM 120 CG LEU A 16 -13.559 3.658 0.813 1.00 0.00 C ATOM 121 CD1 LEU A 16 -12.935 4.428 -0.365 1.00 0.00 C ATOM 122 CD2 LEU A 16 -14.813 4.409 1.286 1.00 0.00 C ATOM 0 H LEU A 16 -14.013 0.013 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.800 1.731 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.356 2.188 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.656 1.817 1.123 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.831 3.605 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.708 5.448 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.017 3.931 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.638 4.451 -1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -14.546 5.432 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -15.553 4.422 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.231 3.907 2.159 1.00 0.00 H new ATOM 123 N CYS A 17 -11.149 1.296 2.382 1.00 0.00 N ATOM 124 CA CYS A 17 -10.596 0.958 3.720 1.00 0.00 C ATOM 125 C CYS A 17 -10.181 2.220 4.539 1.00 0.00 C ATOM 126 O CYS A 17 -9.779 3.253 3.991 1.00 0.00 O ATOM 127 CB CYS A 17 -9.358 0.059 3.482 1.00 0.00 C ATOM 128 SG CYS A 17 -8.160 0.871 2.389 1.00 0.00 S ATOM 0 H CYS A 17 -10.580 1.969 1.868 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.364 0.454 4.306 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.885 -0.173 4.436 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.672 -0.888 3.043 1.00 0.00 H new ATOM 129 N LEU A 18 -10.257 2.124 5.878 1.00 0.00 N ATOM 130 CA LEU A 18 -9.744 3.174 6.786 1.00 0.00 C ATOM 131 C LEU A 18 -8.210 2.894 6.968 1.00 0.00 C ATOM 132 O LEU A 18 -7.410 3.601 6.368 1.00 0.00 O ATOM 133 CB LEU A 18 -10.648 3.160 8.057 1.00 0.00 C ATOM 134 CG LEU A 18 -10.175 4.022 9.245 1.00 0.00 C ATOM 135 CD1 LEU A 18 -10.119 5.526 8.925 1.00 0.00 C ATOM 136 CD2 LEU A 18 -11.071 3.798 10.473 1.00 0.00 C ATOM 0 H LEU A 18 -10.671 1.326 6.361 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.802 4.200 6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.646 3.492 7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.741 2.129 8.399 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.157 3.697 9.459 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.779 6.073 9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.427 5.697 8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.112 5.875 8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.718 4.416 11.298 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.098 4.070 10.229 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.033 2.748 10.764 1.00 0.00 H new ATOM 137 N ASN A 19 -7.798 1.927 7.805 1.00 0.00 N ATOM 138 CA ASN A 19 -6.372 1.505 7.944 1.00 0.00 C ATOM 139 C ASN A 19 -5.989 0.272 7.050 1.00 0.00 C ATOM 140 O ASN A 19 -6.843 -0.437 6.507 1.00 0.00 O ATOM 141 CB ASN A 19 -6.150 1.168 9.451 1.00 0.00 C ATOM 142 CG ASN A 19 -6.238 2.345 10.421 1.00 0.00 C ATOM 143 OD1 ASN A 19 -5.468 3.293 10.360 1.00 0.00 O ATOM 144 ND2 ASN A 19 -7.168 2.317 11.338 1.00 0.00 N ATOM 0 H ASN A 19 -8.435 1.409 8.409 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.730 2.316 7.601 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.887 0.422 9.748 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.168 0.707 9.559 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.252 3.086 12.003 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.810 1.526 11.389 1.00 0.00 H new ATOM 145 N SER A 20 -4.682 -0.045 6.961 1.00 0.00 N ATOM 146 CA SER A 20 -4.194 -1.309 6.296 1.00 0.00 C ATOM 147 C SER A 20 -4.525 -2.640 7.071 1.00 0.00 C ATOM 148 O SER A 20 -4.525 -3.716 6.473 1.00 0.00 O ATOM 149 CB SER A 20 -2.680 -1.201 6.031 1.00 0.00 C ATOM 150 OG SER A 20 -1.948 -0.794 7.180 1.00 0.00 O ATOM 0 H SER A 20 -3.935 0.541 7.333 1.00 0.00 H new ATOM 0 HA SER A 20 -4.747 -1.386 5.360 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.306 -2.166 5.690 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.507 -0.489 5.224 1.00 0.00 H new ATOM 0 HG SER A 20 -2.033 0.175 7.296 1.00 0.00 H new ATOM 151 N ALA A 21 -4.908 -2.551 8.359 1.00 0.00 N ATOM 152 CA ALA A 21 -5.370 -3.687 9.205 1.00 0.00 C ATOM 153 C ALA A 21 -6.846 -4.183 8.969 1.00 0.00 C ATOM 154 O ALA A 21 -7.605 -4.497 9.888 1.00 0.00 O ATOM 155 CB ALA A 21 -5.190 -3.098 10.614 1.00 0.00 C ATOM 0 H ALA A 21 -4.907 -1.664 8.862 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.811 -4.597 8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.496 -3.834 11.358 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.143 -2.839 10.769 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.804 -2.203 10.715 1.00 0.00 H new ATOM 156 N GLN A 22 -7.212 -4.234 7.693 1.00 0.00 N ATOM 157 CA GLN A 22 -8.546 -4.650 7.183 1.00 0.00 C ATOM 158 C GLN A 22 -8.459 -5.610 5.940 1.00 0.00 C ATOM 159 O GLN A 22 -9.275 -6.528 5.817 1.00 0.00 O ATOM 160 CB GLN A 22 -9.331 -3.353 6.833 1.00 0.00 C ATOM 161 CG GLN A 22 -9.850 -2.551 8.056 1.00 0.00 C ATOM 162 CD GLN A 22 -10.592 -1.266 7.708 1.00 0.00 C ATOM 163 OE1 GLN A 22 -10.031 -0.179 7.704 1.00 0.00 O ATOM 164 NE2 GLN A 22 -11.865 -1.331 7.416 1.00 0.00 N ATOM 0 H GLN A 22 -6.572 -3.979 6.941 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.059 -5.226 7.953 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.686 -2.705 6.239 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.181 -3.619 6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.513 -3.191 8.638 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.003 -2.303 8.696 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.343 -2.232 7.416 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.380 -0.481 7.188 1.00 0.00 H new ATOM 165 N CYS A 23 -7.544 -5.365 4.984 1.00 0.00 N ATOM 166 CA CYS A 23 -7.389 -6.186 3.763 1.00 0.00 C ATOM 167 C CYS A 23 -6.496 -7.465 3.909 1.00 0.00 C ATOM 168 O CYS A 23 -5.547 -7.516 4.697 1.00 0.00 O ATOM 169 CB CYS A 23 -6.858 -5.221 2.692 1.00 0.00 C ATOM 170 SG CYS A 23 -8.073 -3.909 2.419 1.00 0.00 S ATOM 0 H CYS A 23 -6.886 -4.587 5.035 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.353 -6.622 3.500 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.908 -4.793 3.010 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.670 -5.758 1.762 1.00 0.00 H new ATOM 171 N LYS A 24 -6.786 -8.484 3.078 1.00 0.00 N ATOM 172 CA LYS A 24 -5.966 -9.737 2.947 1.00 0.00 C ATOM 173 C LYS A 24 -4.508 -9.376 2.492 1.00 0.00 C ATOM 174 O LYS A 24 -3.529 -9.710 3.165 1.00 0.00 O ATOM 175 CB LYS A 24 -6.713 -10.685 1.965 1.00 0.00 C ATOM 176 CG LYS A 24 -8.070 -11.232 2.456 1.00 0.00 C ATOM 177 CD LYS A 24 -9.022 -11.730 1.353 1.00 0.00 C ATOM 178 CE LYS A 24 -8.555 -13.010 0.644 1.00 0.00 C ATOM 179 NZ LYS A 24 -9.577 -13.426 -0.335 1.00 0.00 N ATOM 0 H LYS A 24 -7.602 -8.475 2.466 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.856 -10.256 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.876 -10.151 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.062 -11.530 1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.882 -12.053 3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.575 -10.448 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.004 -11.909 1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.143 -10.941 0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.604 -12.835 0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.389 -13.803 1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.115 -13.889 -1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.237 -14.092 0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.100 -12.591 -0.667 1.00 0.00 H new ATOM 180 N SER A 25 -4.380 -8.663 1.354 1.00 0.00 N ATOM 181 CA SER A 25 -3.099 -8.036 0.940 1.00 0.00 C ATOM 182 C SER A 25 -3.090 -6.701 1.764 1.00 0.00 C ATOM 183 O SER A 25 -3.787 -5.738 1.428 1.00 0.00 O ATOM 184 CB SER A 25 -3.057 -7.812 -0.587 1.00 0.00 C ATOM 185 OG SER A 25 -2.830 -9.033 -1.297 1.00 0.00 O ATOM 0 H SER A 25 -5.148 -8.505 0.701 1.00 0.00 H new ATOM 0 HA SER A 25 -2.217 -8.646 1.137 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.998 -7.370 -0.916 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.268 -7.099 -0.828 1.00 0.00 H new ATOM 0 HG SER A 25 -3.132 -8.933 -2.224 1.00 0.00 H new ATOM 186 N ASN A 26 -2.311 -6.682 2.856 1.00 0.00 N ATOM 187 CA ASN A 26 -2.309 -5.576 3.858 1.00 0.00 C ATOM 188 C ASN A 26 -1.667 -4.237 3.351 1.00 0.00 C ATOM 189 O ASN A 26 -0.537 -3.851 3.661 1.00 0.00 O ATOM 190 CB ASN A 26 -1.586 -6.197 5.092 1.00 0.00 C ATOM 191 CG ASN A 26 -1.718 -5.412 6.398 1.00 0.00 C ATOM 192 OD1 ASN A 26 -1.097 -4.380 6.617 1.00 0.00 O ATOM 193 ND2 ASN A 26 -2.518 -5.871 7.323 1.00 0.00 N ATOM 0 H ASN A 26 -1.657 -7.432 3.081 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.320 -5.244 4.094 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.976 -7.202 5.252 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.527 -6.300 4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.616 -5.371 8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.045 -6.729 7.162 1.00 0.00 H new ATOM 194 N CYS A 27 -2.477 -3.528 2.560 1.00 0.00 N ATOM 195 CA CYS A 27 -2.107 -2.229 1.970 1.00 0.00 C ATOM 196 C CYS A 27 -3.360 -1.345 1.703 1.00 0.00 C ATOM 197 O CYS A 27 -4.034 -1.489 0.678 1.00 0.00 O ATOM 198 CB CYS A 27 -1.307 -2.437 0.661 1.00 0.00 C ATOM 199 SG CYS A 27 -0.816 -0.811 0.035 1.00 0.00 S ATOM 0 H CYS A 27 -3.415 -3.837 2.306 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.477 -1.706 2.690 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.428 -3.054 0.847 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.915 -2.961 -0.077 1.00 0.00 H new ATOM 200 N CYS A 28 -3.671 -0.410 2.619 1.00 0.00 N ATOM 201 CA CYS A 28 -4.728 0.609 2.378 1.00 0.00 C ATOM 202 C CYS A 28 -4.021 1.740 1.575 1.00 0.00 C ATOM 203 O CYS A 28 -3.102 2.393 2.083 1.00 0.00 O ATOM 204 CB CYS A 28 -5.322 1.094 3.709 1.00 0.00 C ATOM 205 SG CYS A 28 -6.854 2.006 3.412 1.00 0.00 S ATOM 0 H CYS A 28 -3.214 -0.333 3.528 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.578 0.219 1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.518 0.242 4.360 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.604 1.732 4.225 1.00 0.00 H new ATOM 206 N GLN A 29 -4.382 1.905 0.301 1.00 0.00 N ATOM 207 CA GLN A 29 -3.675 2.837 -0.609 1.00 0.00 C ATOM 208 C GLN A 29 -4.397 4.214 -0.695 1.00 0.00 C ATOM 209 O GLN A 29 -5.589 4.320 -1.003 1.00 0.00 O ATOM 210 CB GLN A 29 -3.527 2.074 -1.956 1.00 0.00 C ATOM 211 CG GLN A 29 -2.237 2.387 -2.766 1.00 0.00 C ATOM 212 CD GLN A 29 -2.087 3.694 -3.542 1.00 0.00 C ATOM 213 OE1 GLN A 29 -0.977 4.132 -3.810 1.00 0.00 O ATOM 214 NE2 GLN A 29 -3.141 4.315 -3.996 1.00 0.00 N ATOM 0 H GLN A 29 -5.160 1.409 -0.134 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.684 3.113 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.556 1.004 -1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.391 2.303 -2.580 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.402 2.334 -2.067 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.106 1.575 -3.482 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.073 3.962 -3.781 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.033 5.154 -4.566 1.00 0.00 H new ATOM 215 N HIS A 30 -3.643 5.276 -0.403 1.00 0.00 N ATOM 216 CA HIS A 30 -4.176 6.652 -0.306 1.00 0.00 C ATOM 217 C HIS A 30 -4.369 7.358 -1.693 1.00 0.00 C ATOM 218 O HIS A 30 -3.522 7.311 -2.588 1.00 0.00 O ATOM 219 CB HIS A 30 -3.176 7.425 0.605 1.00 0.00 C ATOM 220 CG HIS A 30 -3.745 8.589 1.417 1.00 0.00 C ATOM 221 ND1 HIS A 30 -4.481 9.627 0.876 1.00 0.00 N ATOM 222 CD2 HIS A 30 -3.485 8.834 2.779 1.00 0.00 C ATOM 223 CE1 HIS A 30 -4.631 10.406 1.987 1.00 0.00 C ATOM 224 NE2 HIS A 30 -4.072 10.026 3.171 1.00 0.00 N ATOM 0 H HIS A 30 -2.641 5.214 -0.225 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.182 6.634 0.112 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.728 6.713 1.298 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.371 7.809 -0.022 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.911 8.186 3.425 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.194 11.326 1.928 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -4.083 10.486 4.081 1.00 0.00 H new ATOM 225 N ASP A 31 -5.501 8.051 -1.823 1.00 0.00 N ATOM 226 CA ASP A 31 -5.834 8.915 -2.993 1.00 0.00 C ATOM 227 C ASP A 31 -4.921 10.179 -3.250 1.00 0.00 C ATOM 228 O ASP A 31 -4.884 10.643 -4.389 1.00 0.00 O ATOM 229 CB ASP A 31 -7.327 9.314 -2.835 1.00 0.00 C ATOM 230 CG ASP A 31 -7.691 10.194 -1.634 1.00 0.00 C ATOM 231 OD1 ASP A 31 -7.327 9.957 -0.486 1.00 0.00 O ATOM 232 OD2 ASP A 31 -8.452 11.265 -1.975 1.00 0.00 O ATOM 0 H ASP A 31 -6.235 8.038 -1.115 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.636 8.324 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.636 9.834 -3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.917 8.399 -2.776 1.00 0.00 H new ATOM 233 N THR A 32 -4.257 10.711 -2.201 1.00 0.00 N ATOM 234 CA THR A 32 -3.253 11.830 -2.186 1.00 0.00 C ATOM 235 C THR A 32 -3.751 12.932 -1.187 1.00 0.00 C ATOM 236 O THR A 32 -4.557 13.799 -1.526 1.00 0.00 O ATOM 237 CB THR A 32 -2.720 12.470 -3.515 1.00 0.00 C ATOM 238 OG1 THR A 32 -3.769 12.913 -4.359 1.00 0.00 O ATOM 239 CG2 THR A 32 -1.843 11.498 -4.318 1.00 0.00 C ATOM 0 H THR A 32 -4.412 10.349 -1.260 1.00 0.00 H new ATOM 0 HA THR A 32 -2.344 11.314 -1.876 1.00 0.00 H new ATOM 0 HB THR A 32 -2.123 13.325 -3.197 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.210 12.139 -4.767 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.498 11.987 -5.229 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.983 11.202 -3.717 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.425 10.614 -4.579 1.00 0.00 H new ATOM 240 N ILE A 33 -3.236 12.863 0.060 1.00 0.00 N ATOM 241 CA ILE A 33 -3.482 13.799 1.214 1.00 0.00 C ATOM 242 C ILE A 33 -4.971 14.040 1.695 1.00 0.00 C ATOM 243 O ILE A 33 -5.220 13.908 2.897 1.00 0.00 O ATOM 244 CB ILE A 33 -2.551 15.064 1.104 1.00 0.00 C ATOM 245 CG1 ILE A 33 -2.287 15.755 2.474 1.00 0.00 C ATOM 246 CG2 ILE A 33 -3.058 16.132 0.115 1.00 0.00 C ATOM 247 CD1 ILE A 33 -1.439 14.922 3.456 1.00 0.00 C ATOM 0 H ILE A 33 -2.596 12.112 0.319 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.173 13.243 2.099 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.618 14.650 0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.785 16.706 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.244 15.982 2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.362 16.971 0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.131 15.699 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.041 16.483 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.304 15.479 4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.947 13.981 3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.465 14.716 3.012 1.00 0.00 H new ATOM 248 N LEU A 34 -5.961 14.342 0.834 1.00 0.00 N ATOM 249 CA LEU A 34 -7.403 14.437 1.234 1.00 0.00 C ATOM 250 C LEU A 34 -7.989 12.980 1.342 1.00 0.00 C ATOM 251 O LEU A 34 -8.509 12.416 0.377 1.00 0.00 O ATOM 252 CB LEU A 34 -8.109 15.353 0.194 1.00 0.00 C ATOM 253 CG LEU A 34 -9.616 15.643 0.427 1.00 0.00 C ATOM 254 CD1 LEU A 34 -9.881 16.439 1.717 1.00 0.00 C ATOM 255 CD2 LEU A 34 -10.192 16.423 -0.765 1.00 0.00 C ATOM 0 H LEU A 34 -5.799 14.528 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.556 14.889 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.580 16.306 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.999 14.898 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.106 14.674 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.952 16.611 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.516 15.874 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.363 17.397 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.250 16.622 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.658 17.367 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.077 15.834 -1.675 1.00 0.00 H new ATOM 256 N SER A 35 -7.895 12.397 2.546 1.00 0.00 N ATOM 257 CA SER A 35 -8.211 10.970 2.826 1.00 0.00 C ATOM 258 C SER A 35 -9.579 10.309 2.412 1.00 0.00 C ATOM 259 O SER A 35 -10.618 10.434 3.066 1.00 0.00 O ATOM 260 CB SER A 35 -7.980 10.793 4.350 1.00 0.00 C ATOM 261 OG SER A 35 -8.978 11.463 5.126 1.00 0.00 O ATOM 0 H SER A 35 -7.592 12.906 3.376 1.00 0.00 H new ATOM 0 HA SER A 35 -7.559 10.424 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.982 9.731 4.596 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.996 11.179 4.615 1.00 0.00 H new ATOM 0 HG SER A 35 -9.852 11.361 4.694 1.00 0.00 H new ATOM 262 N LEU A 36 -9.483 9.522 1.341 1.00 0.00 N ATOM 263 CA LEU A 36 -10.543 8.628 0.805 1.00 0.00 C ATOM 264 C LEU A 36 -9.697 7.428 0.244 1.00 0.00 C ATOM 265 O LEU A 36 -9.345 7.383 -0.937 1.00 0.00 O ATOM 266 CB LEU A 36 -11.414 9.397 -0.227 1.00 0.00 C ATOM 267 CG LEU A 36 -12.588 8.604 -0.856 1.00 0.00 C ATOM 268 CD1 LEU A 36 -13.689 8.261 0.164 1.00 0.00 C ATOM 269 CD2 LEU A 36 -13.213 9.416 -2.002 1.00 0.00 C ATOM 0 H LEU A 36 -8.628 9.479 0.787 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.287 8.270 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.821 10.283 0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.766 9.745 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.170 7.668 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.485 7.706 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.267 7.653 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.096 9.181 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.037 8.853 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.586 10.364 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.459 9.608 -2.765 1.00 0.00 H new ATOM 270 N SER A 37 -9.316 6.478 1.118 1.00 0.00 N ATOM 271 CA SER A 37 -8.357 5.390 0.769 1.00 0.00 C ATOM 272 C SER A 37 -9.020 4.030 0.388 1.00 0.00 C ATOM 273 O SER A 37 -10.046 3.614 0.930 1.00 0.00 O ATOM 274 CB SER A 37 -7.420 5.250 1.991 1.00 0.00 C ATOM 275 OG SER A 37 -6.773 6.493 2.276 1.00 0.00 O ATOM 0 H SER A 37 -9.655 6.434 2.079 1.00 0.00 H new ATOM 0 HA SER A 37 -7.819 5.661 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.993 4.925 2.859 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.672 4.481 1.796 1.00 0.00 H new ATOM 0 HG SER A 37 -6.736 6.628 3.246 1.00 0.00 H new ATOM 276 N ARG A 38 -8.393 3.335 -0.565 1.00 0.00 N ATOM 277 CA ARG A 38 -8.898 2.060 -1.146 1.00 0.00 C ATOM 278 C ARG A 38 -7.740 1.008 -1.228 1.00 0.00 C ATOM 279 O ARG A 38 -6.614 1.353 -1.599 1.00 0.00 O ATOM 280 CB ARG A 38 -9.458 2.434 -2.547 1.00 0.00 C ATOM 281 CG ARG A 38 -10.263 1.327 -3.278 1.00 0.00 C ATOM 282 CD ARG A 38 -10.070 1.323 -4.805 1.00 0.00 C ATOM 283 NE ARG A 38 -8.756 0.705 -5.125 1.00 0.00 N ATOM 284 CZ ARG A 38 -8.238 0.582 -6.337 1.00 0.00 C ATOM 285 NH1 ARG A 38 -8.799 1.036 -7.427 1.00 0.00 N ATOM 286 NH2 ARG A 38 -7.102 -0.031 -6.439 1.00 0.00 N ATOM 0 H ARG A 38 -7.506 3.636 -0.970 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.675 1.600 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.099 3.309 -2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.623 2.728 -3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.969 0.355 -2.882 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.322 1.454 -3.056 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.875 0.766 -5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.112 2.341 -5.192 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.207 0.345 -4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.695 1.522 -7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.341 0.905 -8.329 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.643 -0.396 -5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.666 -0.149 -7.354 1.00 0.00 H new ATOM 287 N CYS A 39 -7.972 -0.282 -0.907 1.00 0.00 N ATOM 288 CA CYS A 39 -6.905 -1.315 -1.017 1.00 0.00 C ATOM 289 C CYS A 39 -6.474 -1.629 -2.483 1.00 0.00 C ATOM 290 O CYS A 39 -7.243 -1.611 -3.445 1.00 0.00 O ATOM 291 CB CYS A 39 -7.324 -2.597 -0.276 1.00 0.00 C ATOM 292 SG CYS A 39 -7.241 -2.343 1.503 1.00 0.00 S ATOM 0 H CYS A 39 -8.869 -0.635 -0.575 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.021 -0.892 -0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.337 -2.877 -0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.672 -3.422 -0.564 1.00 0.00 H new ATOM 293 N ALA A 40 -5.178 -1.902 -2.606 1.00 0.00 N ATOM 294 CA ALA A 40 -4.493 -2.100 -3.900 1.00 0.00 C ATOM 295 C ALA A 40 -3.409 -3.223 -3.890 1.00 0.00 C ATOM 296 O ALA A 40 -3.081 -3.829 -2.864 1.00 0.00 O ATOM 297 CB ALA A 40 -3.908 -0.712 -4.186 1.00 0.00 C ATOM 0 H ALA A 40 -4.556 -1.995 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.174 -2.456 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.369 -0.732 -5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.715 0.018 -4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.223 -0.434 -3.385 1.00 0.00 H new ATOM 298 N LEU A 41 -2.882 -3.523 -5.084 1.00 0.00 N ATOM 299 CA LEU A 41 -1.907 -4.627 -5.283 1.00 0.00 C ATOM 300 C LEU A 41 -0.437 -4.226 -4.916 1.00 0.00 C ATOM 301 O LEU A 41 0.020 -3.103 -5.148 1.00 0.00 O ATOM 302 CB LEU A 41 -2.062 -5.071 -6.770 1.00 0.00 C ATOM 303 CG LEU A 41 -1.293 -6.344 -7.218 1.00 0.00 C ATOM 304 CD1 LEU A 41 -1.803 -7.623 -6.530 1.00 0.00 C ATOM 305 CD2 LEU A 41 -1.407 -6.521 -8.740 1.00 0.00 C ATOM 0 H LEU A 41 -3.111 -3.017 -5.940 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.118 -5.454 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.122 -5.231 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.743 -4.244 -7.404 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.254 -6.198 -6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.228 -8.480 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.686 -7.527 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.856 -7.770 -6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.864 -7.416 -9.044 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.456 -6.621 -9.017 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.981 -5.651 -9.240 1.00 0.00 H new ATOM 306 N LYS A 42 0.295 -5.193 -4.350 1.00 0.00 N ATOM 307 CA LYS A 42 1.747 -5.062 -4.038 1.00 0.00 C ATOM 308 C LYS A 42 2.650 -4.939 -5.321 1.00 0.00 C ATOM 309 O LYS A 42 2.383 -5.535 -6.370 1.00 0.00 O ATOM 310 CB LYS A 42 2.101 -6.245 -3.092 1.00 0.00 C ATOM 311 CG LYS A 42 1.939 -7.695 -3.628 1.00 0.00 C ATOM 312 CD LYS A 42 1.759 -8.743 -2.509 1.00 0.00 C ATOM 313 CE LYS A 42 0.316 -8.777 -1.972 1.00 0.00 C ATOM 314 NZ LYS A 42 0.180 -9.783 -0.902 1.00 0.00 N ATOM 0 H LYS A 42 -0.094 -6.099 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 42 1.958 -4.121 -3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.138 -6.121 -2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.485 -6.151 -2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.078 -7.734 -4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.815 -7.955 -4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.027 -9.729 -2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.444 -8.520 -1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.042 -7.794 -1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.374 -9.007 -2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.825 -9.899 -0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.564 -10.692 -1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.705 -9.468 -0.061 1.00 0.00 H new ATOM 315 N ALA A 43 3.733 -4.156 -5.220 1.00 0.00 N ATOM 316 CA ALA A 43 4.595 -3.809 -6.372 1.00 0.00 C ATOM 317 C ALA A 43 5.604 -4.897 -6.881 1.00 0.00 C ATOM 318 O ALA A 43 5.991 -5.859 -6.210 1.00 0.00 O ATOM 319 CB ALA A 43 5.302 -2.515 -5.907 1.00 0.00 C ATOM 0 H ALA A 43 4.041 -3.742 -4.340 1.00 0.00 H new ATOM 0 HA ALA A 43 3.981 -3.701 -7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.973 -2.165 -6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.556 -1.748 -5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.876 -2.719 -5.003 1.00 0.00 H new ATOM 320 N ARG A 44 6.012 -4.681 -8.136 1.00 0.00 N ATOM 321 CA ARG A 44 6.932 -5.567 -8.899 1.00 0.00 C ATOM 322 C ARG A 44 8.173 -4.782 -9.432 1.00 0.00 C ATOM 323 O ARG A 44 8.248 -3.555 -9.367 1.00 0.00 O ATOM 324 CB ARG A 44 6.100 -6.240 -10.035 1.00 0.00 C ATOM 325 CG ARG A 44 5.518 -7.597 -9.597 1.00 0.00 C ATOM 326 CD ARG A 44 4.668 -8.277 -10.679 1.00 0.00 C ATOM 327 NE ARG A 44 4.218 -9.591 -10.156 1.00 0.00 N ATOM 328 CZ ARG A 44 3.844 -10.630 -10.889 1.00 0.00 C ATOM 329 NH1 ARG A 44 3.807 -10.638 -12.195 1.00 0.00 N ATOM 330 NH2 ARG A 44 3.490 -11.708 -10.262 1.00 0.00 N ATOM 0 H ARG A 44 5.711 -3.868 -8.673 1.00 0.00 H new ATOM 0 HA ARG A 44 7.347 -6.341 -8.253 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.288 -5.576 -10.332 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.732 -6.382 -10.912 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.336 -8.261 -9.318 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.908 -7.451 -8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.810 -7.655 -10.935 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.249 -8.410 -11.592 1.00 0.00 H new ATOM 0 HE ARG A 44 4.194 -9.705 -9.143 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.078 -9.805 -12.718 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.507 -11.477 -12.692 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.506 -11.734 -9.242 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.195 -12.531 -10.788 1.00 0.00 H new ATOM 331 N GLU A 45 9.161 -5.516 -9.967 1.00 0.00 N ATOM 332 CA GLU A 45 10.476 -4.963 -10.411 1.00 0.00 C ATOM 333 C GLU A 45 10.432 -3.639 -11.256 1.00 0.00 C ATOM 334 O GLU A 45 9.754 -3.547 -12.281 1.00 0.00 O ATOM 335 CB GLU A 45 11.231 -6.083 -11.180 1.00 0.00 C ATOM 336 CG GLU A 45 12.760 -5.840 -11.306 1.00 0.00 C ATOM 337 CD GLU A 45 13.522 -6.955 -12.010 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.675 -7.017 -13.223 1.00 0.00 O ATOM 339 OE2 GLU A 45 14.020 -7.875 -11.139 1.00 0.00 O ATOM 0 H GLU A 45 9.081 -6.523 -10.110 1.00 0.00 H new ATOM 0 HA GLU A 45 10.997 -4.657 -9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.065 -7.034 -10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.804 -6.175 -12.179 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.923 -4.908 -11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.177 -5.706 -10.308 1.00 0.00 H new ATOM 340 N ASN A 46 11.184 -2.635 -10.778 1.00 0.00 N ATOM 341 CA ASN A 46 11.211 -1.234 -11.330 1.00 0.00 C ATOM 342 C ASN A 46 9.958 -0.346 -10.959 1.00 0.00 C ATOM 343 O ASN A 46 9.777 0.723 -11.550 1.00 0.00 O ATOM 344 CB ASN A 46 11.557 -1.183 -12.852 1.00 0.00 C ATOM 345 CG ASN A 46 12.924 -1.753 -13.229 1.00 0.00 C ATOM 346 OD1 ASN A 46 13.969 -1.203 -12.903 1.00 0.00 O ATOM 347 ND2 ASN A 46 12.971 -2.864 -13.914 1.00 0.00 N ATOM 0 H ASN A 46 11.809 -2.757 -9.981 1.00 0.00 H new ATOM 0 HA ASN A 46 12.041 -0.762 -10.804 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.790 -1.729 -13.401 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.510 -0.146 -13.184 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.872 -3.266 -14.173 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.107 -3.330 -14.190 1.00 0.00 H new ATOM 348 N SER A 47 9.161 -0.699 -9.927 1.00 0.00 N ATOM 349 CA SER A 47 8.024 0.132 -9.447 1.00 0.00 C ATOM 350 C SER A 47 8.298 0.762 -8.044 1.00 0.00 C ATOM 351 O SER A 47 8.960 0.190 -7.174 1.00 0.00 O ATOM 352 CB SER A 47 6.759 -0.758 -9.431 1.00 0.00 C ATOM 353 OG SER A 47 5.589 -0.012 -9.080 1.00 0.00 O ATOM 0 H SER A 47 9.283 -1.565 -9.401 1.00 0.00 H new ATOM 0 HA SER A 47 7.883 0.975 -10.123 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.621 -1.211 -10.413 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.897 -1.573 -8.721 1.00 0.00 H new ATOM 0 HG SER A 47 4.810 -0.606 -9.082 1.00 0.00 H new ATOM 354 N GLU A 48 7.713 1.946 -7.827 1.00 0.00 N ATOM 355 CA GLU A 48 7.840 2.736 -6.580 1.00 0.00 C ATOM 356 C GLU A 48 7.046 2.070 -5.400 1.00 0.00 C ATOM 357 O GLU A 48 5.833 1.853 -5.452 1.00 0.00 O ATOM 358 CB GLU A 48 7.345 4.183 -6.858 1.00 0.00 C ATOM 359 CG GLU A 48 8.020 4.954 -8.026 1.00 0.00 C ATOM 360 CD GLU A 48 7.756 6.454 -7.990 1.00 0.00 C ATOM 361 OE1 GLU A 48 6.592 6.795 -8.603 1.00 0.00 O ATOM 362 OE2 GLU A 48 8.510 7.261 -7.456 1.00 0.00 O ATOM 0 H GLU A 48 7.123 2.399 -8.525 1.00 0.00 H new ATOM 0 HA GLU A 48 8.885 2.766 -6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.274 4.141 -7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.478 4.766 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.096 4.781 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.661 4.552 -8.973 1.00 0.00 H new ATOM 363 N CYS A 49 7.799 1.731 -4.361 1.00 0.00 N ATOM 364 CA CYS A 49 7.323 0.986 -3.166 1.00 0.00 C ATOM 365 C CYS A 49 7.575 1.716 -1.806 1.00 0.00 C ATOM 366 O CYS A 49 8.504 2.509 -1.624 1.00 0.00 O ATOM 367 CB CYS A 49 8.084 -0.371 -3.214 1.00 0.00 C ATOM 368 SG CYS A 49 8.243 -1.141 -1.583 1.00 0.00 S ATOM 0 H CYS A 49 8.790 1.967 -4.310 1.00 0.00 H new ATOM 0 HA CYS A 49 6.239 0.879 -3.205 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.560 -1.053 -3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.077 -0.211 -3.634 1.00 0.00 H new ATOM 369 N SER A 50 6.730 1.378 -0.821 1.00 0.00 N ATOM 370 CA SER A 50 6.903 1.817 0.590 1.00 0.00 C ATOM 371 C SER A 50 7.686 0.688 1.315 1.00 0.00 C ATOM 372 O SER A 50 7.165 -0.409 1.540 1.00 0.00 O ATOM 373 CB SER A 50 5.532 2.096 1.244 1.00 0.00 C ATOM 374 OG SER A 50 5.656 2.461 2.622 1.00 0.00 O ATOM 0 H SER A 50 5.907 0.795 -0.969 1.00 0.00 H new ATOM 0 HA SER A 50 7.459 2.752 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.029 2.896 0.702 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.904 1.209 1.160 1.00 0.00 H new ATOM 0 HG SER A 50 6.394 3.097 2.727 1.00 0.00 H new ATOM 375 N ALA A 51 8.952 0.945 1.668 1.00 0.00 N ATOM 376 CA ALA A 51 9.805 -0.073 2.350 1.00 0.00 C ATOM 377 C ALA A 51 9.585 -0.322 3.897 1.00 0.00 C ATOM 378 O ALA A 51 10.354 -1.022 4.558 1.00 0.00 O ATOM 379 CB ALA A 51 11.217 0.473 2.091 1.00 0.00 C ATOM 0 H ALA A 51 9.417 1.837 1.500 1.00 0.00 H new ATOM 0 HA ALA A 51 9.570 -1.061 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.953 -0.190 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.394 0.529 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.308 1.468 2.526 1.00 0.00 H new ATOM 380 N PHE A 52 8.510 0.247 4.441 1.00 0.00 N ATOM 381 CA PHE A 52 8.158 0.268 5.879 1.00 0.00 C ATOM 382 C PHE A 52 6.606 0.150 6.082 1.00 0.00 C ATOM 383 O PHE A 52 5.804 0.476 5.194 1.00 0.00 O ATOM 384 CB PHE A 52 8.703 1.624 6.464 1.00 0.00 C ATOM 385 CG PHE A 52 8.062 2.927 5.913 1.00 0.00 C ATOM 386 CD1 PHE A 52 8.520 3.467 4.707 1.00 0.00 C ATOM 387 CD2 PHE A 52 6.902 3.449 6.498 1.00 0.00 C ATOM 388 CE1 PHE A 52 7.806 4.477 4.070 1.00 0.00 C ATOM 389 CE2 PHE A 52 6.190 4.462 5.861 1.00 0.00 C ATOM 390 CZ PHE A 52 6.636 4.968 4.643 1.00 0.00 C ATOM 0 H PHE A 52 7.819 0.734 3.870 1.00 0.00 H new ATOM 0 HA PHE A 52 8.603 -0.582 6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.566 1.608 7.545 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.776 1.668 6.279 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.434 3.097 4.267 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.558 3.065 7.447 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.159 4.880 3.132 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.291 4.856 6.312 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.074 5.742 4.142 1.00 0.00 H new ATOM 391 N THR A 53 6.191 -0.245 7.293 1.00 0.00 N ATOM 392 CA THR A 53 4.750 -0.256 7.688 1.00 0.00 C ATOM 393 C THR A 53 4.581 0.441 9.068 1.00 0.00 C ATOM 394 O THR A 53 5.321 0.206 10.029 1.00 0.00 O ATOM 395 CB THR A 53 4.082 -1.660 7.780 1.00 0.00 C ATOM 396 OG1 THR A 53 4.827 -2.545 8.613 1.00 0.00 O ATOM 397 CG2 THR A 53 3.924 -2.326 6.413 1.00 0.00 C ATOM 0 H THR A 53 6.823 -0.564 8.027 1.00 0.00 H new ATOM 0 HA THR A 53 4.244 0.272 6.880 1.00 0.00 H new ATOM 0 HB THR A 53 3.096 -1.480 8.209 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.378 -3.415 8.649 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.453 -3.301 6.536 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.301 -1.701 5.773 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.905 -2.452 5.954 1.00 0.00 H new ATOM 398 N LEU A 54 3.543 1.272 9.138 1.00 0.00 N ATOM 399 CA LEU A 54 3.109 1.932 10.398 1.00 0.00 C ATOM 400 C LEU A 54 1.894 1.116 10.955 1.00 0.00 C ATOM 401 O LEU A 54 1.901 -0.118 11.018 1.00 0.00 O ATOM 402 CB LEU A 54 2.914 3.459 10.052 1.00 0.00 C ATOM 403 CG LEU A 54 1.718 3.860 9.119 1.00 0.00 C ATOM 404 CD1 LEU A 54 0.723 4.832 9.787 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.183 4.480 7.797 1.00 0.00 C ATOM 0 H LEU A 54 2.970 1.516 8.330 1.00 0.00 H new ATOM 0 HA LEU A 54 3.817 1.929 11.227 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.801 4.001 10.991 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.833 3.815 9.587 1.00 0.00 H new ATOM 0 HG LEU A 54 1.209 2.917 8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.079 5.069 9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.302 4.366 10.678 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.242 5.749 10.067 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.315 4.738 7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.763 5.380 8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.802 3.764 7.257 1.00 0.00 H new ATOM 406 N TYR A 55 0.873 1.824 11.412 1.00 0.00 N ATOM 407 CA TYR A 55 -0.420 1.234 11.790 1.00 0.00 C ATOM 408 C TYR A 55 -1.460 2.095 10.992 1.00 0.00 C ATOM 409 O TYR A 55 -2.103 2.994 11.539 1.00 0.00 O ATOM 410 CB TYR A 55 -0.550 1.195 13.340 1.00 0.00 C ATOM 411 CG TYR A 55 -1.916 0.636 13.750 1.00 0.00 C ATOM 412 CD1 TYR A 55 -2.205 -0.710 13.510 1.00 0.00 C ATOM 413 CD2 TYR A 55 -2.956 1.535 13.995 1.00 0.00 C ATOM 414 CE1 TYR A 55 -3.529 -1.133 13.436 1.00 0.00 C ATOM 415 CE2 TYR A 55 -4.278 1.115 13.899 1.00 0.00 C ATOM 416 CZ TYR A 55 -4.567 -0.220 13.624 1.00 0.00 C ATOM 417 OH TYR A 55 -5.868 -0.618 13.469 1.00 0.00 O ATOM 0 H TYR A 55 0.910 2.836 11.535 1.00 0.00 H new ATOM 0 HA TYR A 55 -0.570 0.186 11.529 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.243 0.578 13.762 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.424 2.198 13.747 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.402 -1.421 13.382 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.733 2.558 14.259 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.753 -2.170 13.233 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.081 1.824 14.038 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.465 0.141 13.638 1.00 0.00 H new ATOM 418 N GLY A 56 -1.552 1.882 9.665 1.00 0.00 N ATOM 419 CA GLY A 56 -2.436 2.738 8.829 1.00 0.00 C ATOM 420 C GLY A 56 -2.178 2.750 7.316 1.00 0.00 C ATOM 421 O GLY A 56 -1.853 1.734 6.705 1.00 0.00 O ATOM 0 H GLY A 56 -1.048 1.155 9.157 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.466 2.421 8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.356 3.762 9.193 1.00 0.00 H new ATOM 422 N VAL A 57 -2.415 3.912 6.712 1.00 0.00 N ATOM 423 CA VAL A 57 -2.507 4.056 5.226 1.00 0.00 C ATOM 424 C VAL A 57 -1.133 4.403 4.573 1.00 0.00 C ATOM 425 O VAL A 57 -0.289 5.118 5.124 1.00 0.00 O ATOM 426 CB VAL A 57 -3.593 5.122 4.851 1.00 0.00 C ATOM 427 CG1 VAL A 57 -3.998 5.064 3.362 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.922 4.925 5.594 1.00 0.00 C ATOM 0 H VAL A 57 -2.551 4.787 7.218 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.806 3.088 4.823 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.110 6.062 5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.752 5.824 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.122 5.247 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.405 4.079 3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.628 5.697 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.331 3.943 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.752 4.995 6.668 1.00 0.00 H new ATOM 429 N TYR A 58 -0.950 3.900 3.350 1.00 0.00 N ATOM 430 CA TYR A 58 0.314 4.002 2.598 1.00 0.00 C ATOM 431 C TYR A 58 0.100 4.766 1.259 1.00 0.00 C ATOM 432 O TYR A 58 -0.853 4.532 0.510 1.00 0.00 O ATOM 433 CB TYR A 58 0.811 2.546 2.361 1.00 0.00 C ATOM 434 CG TYR A 58 0.970 1.625 3.597 1.00 0.00 C ATOM 435 CD1 TYR A 58 1.539 2.090 4.789 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.399 0.351 3.567 1.00 0.00 C ATOM 437 CE1 TYR A 58 1.554 1.283 5.921 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.444 -0.469 4.694 1.00 0.00 C ATOM 439 CZ TYR A 58 1.006 0.008 5.875 1.00 0.00 C ATOM 440 OH TYR A 58 0.954 -0.742 7.018 1.00 0.00 O ATOM 0 H TYR A 58 -1.682 3.403 2.843 1.00 0.00 H new ATOM 0 HA TYR A 58 1.061 4.570 3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.118 2.064 1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.776 2.600 1.857 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.968 3.080 4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.080 -0.001 2.666 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.993 1.648 6.838 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.044 -1.471 4.651 1.00 0.00 H new ATOM 0 HH TYR A 58 0.019 -0.876 7.279 1.00 0.00 H new ATOM 441 N TYR A 59 1.037 5.659 0.938 1.00 0.00 N ATOM 442 CA TYR A 59 1.041 6.397 -0.369 1.00 0.00 C ATOM 443 C TYR A 59 1.518 5.583 -1.639 1.00 0.00 C ATOM 444 O TYR A 59 1.389 6.073 -2.761 1.00 0.00 O ATOM 445 CB TYR A 59 1.888 7.684 -0.112 1.00 0.00 C ATOM 446 CG TYR A 59 1.196 8.777 0.736 1.00 0.00 C ATOM 447 CD1 TYR A 59 0.041 9.406 0.257 1.00 0.00 C ATOM 448 CD2 TYR A 59 1.679 9.114 2.006 1.00 0.00 C ATOM 449 CE1 TYR A 59 -0.640 10.323 1.053 1.00 0.00 C ATOM 450 CE2 TYR A 59 1.004 10.052 2.790 1.00 0.00 C ATOM 451 CZ TYR A 59 -0.158 10.650 2.312 1.00 0.00 C ATOM 452 OH TYR A 59 -0.840 11.550 3.083 1.00 0.00 O ATOM 0 H TYR A 59 1.813 5.904 1.553 1.00 0.00 H new ATOM 0 HA TYR A 59 0.013 6.620 -0.653 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.814 7.395 0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.163 8.115 -1.075 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.323 9.179 -0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.577 8.647 2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.547 10.782 0.689 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.384 10.313 3.767 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.373 11.670 3.936 1.00 0.00 H new ATOM 453 N LYS A 60 2.072 4.372 -1.461 1.00 0.00 N ATOM 454 CA LYS A 60 2.485 3.434 -2.534 1.00 0.00 C ATOM 455 C LYS A 60 2.670 2.041 -1.841 1.00 0.00 C ATOM 456 O LYS A 60 3.387 1.920 -0.844 1.00 0.00 O ATOM 457 CB LYS A 60 3.754 3.908 -3.301 1.00 0.00 C ATOM 458 CG LYS A 60 4.973 4.387 -2.477 1.00 0.00 C ATOM 459 CD LYS A 60 6.043 5.082 -3.337 1.00 0.00 C ATOM 460 CE LYS A 60 5.779 6.581 -3.559 1.00 0.00 C ATOM 461 NZ LYS A 60 6.876 7.186 -4.342 1.00 0.00 N ATOM 0 H LYS A 60 2.254 3.999 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 60 1.726 3.379 -3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.084 3.087 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.458 4.723 -3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.634 5.075 -1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.421 3.532 -1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.016 4.960 -2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.098 4.584 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.832 6.717 -4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.687 7.087 -2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.718 8.211 -4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.782 7.013 -3.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.901 6.761 -5.291 1.00 0.00 H new ATOM 462 N CYS A 61 2.001 0.982 -2.312 1.00 0.00 N ATOM 463 CA CYS A 61 2.074 -0.361 -1.668 1.00 0.00 C ATOM 464 C CYS A 61 3.495 -1.072 -1.634 1.00 0.00 C ATOM 465 O CYS A 61 4.250 -0.949 -2.607 1.00 0.00 O ATOM 466 CB CYS A 61 1.048 -1.243 -2.411 1.00 0.00 C ATOM 467 SG CYS A 61 -0.639 -0.801 -1.962 1.00 0.00 S ATOM 0 H CYS A 61 1.400 1.016 -3.135 1.00 0.00 H new ATOM 0 HA CYS A 61 1.860 -0.221 -0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.181 -1.132 -3.487 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.227 -2.292 -2.174 1.00 0.00 H new ATOM 468 N PRO A 62 3.893 -1.839 -0.563 1.00 0.00 N ATOM 469 CA PRO A 62 5.168 -2.629 -0.551 1.00 0.00 C ATOM 470 C PRO A 62 5.370 -3.685 -1.702 1.00 0.00 C ATOM 471 O PRO A 62 4.446 -3.969 -2.464 1.00 0.00 O ATOM 472 CB PRO A 62 5.112 -3.286 0.847 1.00 0.00 C ATOM 473 CG PRO A 62 4.266 -2.353 1.709 1.00 0.00 C ATOM 474 CD PRO A 62 3.204 -1.835 0.747 1.00 0.00 C ATOM 0 HA PRO A 62 6.027 -1.985 -0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.668 -4.280 0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.112 -3.405 1.264 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.820 -2.881 2.551 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.862 -1.540 2.123 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.323 -2.476 0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.868 -0.835 1.021 1.00 0.00 H new ATOM 475 N CYS A 63 6.575 -4.270 -1.838 1.00 0.00 N ATOM 476 CA CYS A 63 6.865 -5.280 -2.903 1.00 0.00 C ATOM 477 C CYS A 63 6.294 -6.723 -2.616 1.00 0.00 C ATOM 478 O CYS A 63 5.914 -7.063 -1.490 1.00 0.00 O ATOM 479 CB CYS A 63 8.402 -5.291 -3.080 1.00 0.00 C ATOM 480 SG CYS A 63 9.070 -3.655 -3.454 1.00 0.00 S ATOM 0 H CYS A 63 7.369 -4.069 -1.231 1.00 0.00 H new ATOM 0 HA CYS A 63 6.350 -4.990 -3.819 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.866 -5.669 -2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.667 -5.980 -3.882 1.00 0.00 H new ATOM 481 N GLU A 64 6.221 -7.574 -3.656 1.00 0.00 N ATOM 482 CA GLU A 64 5.612 -8.932 -3.554 1.00 0.00 C ATOM 483 C GLU A 64 6.445 -10.046 -2.809 1.00 0.00 C ATOM 484 O GLU A 64 7.619 -9.883 -2.464 1.00 0.00 O ATOM 485 CB GLU A 64 5.222 -9.331 -5.013 1.00 0.00 C ATOM 486 CG GLU A 64 6.354 -9.794 -5.977 1.00 0.00 C ATOM 487 CD GLU A 64 5.875 -10.494 -7.249 1.00 0.00 C ATOM 488 OE1 GLU A 64 4.774 -11.020 -7.385 1.00 0.00 O ATOM 489 OE2 GLU A 64 6.816 -10.474 -8.230 1.00 0.00 O ATOM 0 H GLU A 64 6.576 -7.352 -4.586 1.00 0.00 H new ATOM 0 HA GLU A 64 4.751 -8.868 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.487 -10.133 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.724 -8.476 -5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.947 -8.925 -6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.017 -10.470 -5.436 1.00 0.00 H new ATOM 490 N ARG A 65 5.825 -11.227 -2.596 1.00 0.00 N ATOM 491 CA ARG A 65 6.506 -12.417 -2.007 1.00 0.00 C ATOM 492 C ARG A 65 7.609 -12.987 -2.969 1.00 0.00 C ATOM 493 O ARG A 65 7.328 -13.492 -4.060 1.00 0.00 O ATOM 494 CB ARG A 65 5.396 -13.449 -1.660 1.00 0.00 C ATOM 495 CG ARG A 65 5.851 -14.785 -1.019 1.00 0.00 C ATOM 496 CD ARG A 65 6.544 -14.653 0.352 1.00 0.00 C ATOM 497 NE ARG A 65 6.984 -15.984 0.851 1.00 0.00 N ATOM 498 CZ ARG A 65 8.149 -16.566 0.573 1.00 0.00 C ATOM 499 NH1 ARG A 65 9.059 -16.058 -0.217 1.00 0.00 N ATOM 500 NH2 ARG A 65 8.394 -17.719 1.114 1.00 0.00 N ATOM 0 H ARG A 65 4.844 -11.389 -2.824 1.00 0.00 H new ATOM 0 HA ARG A 65 7.048 -12.152 -1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.690 -12.971 -0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.851 -13.681 -2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.980 -15.431 -0.907 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.533 -15.285 -1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.404 -13.989 0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.860 -14.199 1.068 1.00 0.00 H new ATOM 0 HE ARG A 65 6.340 -16.493 1.456 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.898 -15.157 -0.667 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.930 -16.563 -0.383 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.705 -18.150 1.730 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.276 -18.195 0.924 1.00 0.00 H new ATOM 501 N GLY A 66 8.868 -12.876 -2.531 1.00 0.00 N ATOM 502 CA GLY A 66 10.055 -13.236 -3.372 1.00 0.00 C ATOM 503 C GLY A 66 10.802 -12.093 -4.121 1.00 0.00 C ATOM 504 O GLY A 66 11.783 -12.369 -4.813 1.00 0.00 O ATOM 0 H GLY A 66 9.110 -12.540 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.777 -13.740 -2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.728 -13.963 -4.116 1.00 0.00 H new ATOM 505 N LEU A 67 10.364 -10.829 -4.000 1.00 0.00 N ATOM 506 CA LEU A 67 11.008 -9.647 -4.638 1.00 0.00 C ATOM 507 C LEU A 67 11.072 -8.502 -3.568 1.00 0.00 C ATOM 508 O LEU A 67 10.079 -8.201 -2.898 1.00 0.00 O ATOM 509 CB LEU A 67 10.202 -9.335 -5.930 1.00 0.00 C ATOM 510 CG LEU A 67 10.972 -8.525 -7.003 1.00 0.00 C ATOM 511 CD1 LEU A 67 10.667 -9.038 -8.419 1.00 0.00 C ATOM 512 CD2 LEU A 67 10.641 -7.033 -6.914 1.00 0.00 C ATOM 0 H LEU A 67 9.540 -10.586 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 67 12.039 -9.803 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.875 -10.276 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.303 -8.783 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 67 12.035 -8.662 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.223 -8.448 -9.147 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.962 -10.084 -8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.599 -8.946 -8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.196 -6.491 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.572 -6.888 -7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.919 -6.657 -5.929 1.00 0.00 H new ATOM 513 N THR A 68 12.226 -7.834 -3.405 1.00 0.00 N ATOM 514 CA THR A 68 12.437 -6.855 -2.292 1.00 0.00 C ATOM 515 C THR A 68 12.200 -5.351 -2.635 1.00 0.00 C ATOM 516 O THR A 68 12.259 -4.917 -3.781 1.00 0.00 O ATOM 517 CB THR A 68 13.892 -7.099 -1.749 1.00 0.00 C ATOM 518 OG1 THR A 68 13.881 -6.962 -0.335 1.00 0.00 O ATOM 519 CG2 THR A 68 14.995 -6.148 -2.231 1.00 0.00 C ATOM 0 H THR A 68 13.032 -7.944 -4.020 1.00 0.00 H new ATOM 0 HA THR A 68 11.669 -7.043 -1.542 1.00 0.00 H new ATOM 0 HB THR A 68 14.136 -8.090 -2.131 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.784 -7.114 0.015 1.00 0.00 H new ATOM 0 HG21 THR A 68 15.945 -6.433 -1.778 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.078 -6.208 -3.316 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.747 -5.127 -1.942 1.00 0.00 H new ATOM 520 N CYS A 69 11.979 -4.564 -1.580 1.00 0.00 N ATOM 521 CA CYS A 69 11.873 -3.083 -1.658 1.00 0.00 C ATOM 522 C CYS A 69 13.268 -2.413 -1.391 1.00 0.00 C ATOM 523 O CYS A 69 13.898 -2.697 -0.367 1.00 0.00 O ATOM 524 CB CYS A 69 10.772 -2.707 -0.644 1.00 0.00 C ATOM 525 SG CYS A 69 10.134 -1.041 -0.909 1.00 0.00 S ATOM 0 H CYS A 69 11.866 -4.928 -0.634 1.00 0.00 H new ATOM 0 HA CYS A 69 11.596 -2.717 -2.647 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.953 -3.423 -0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.172 -2.784 0.367 1.00 0.00 H new ATOM 526 N GLU A 70 13.770 -1.518 -2.257 1.00 0.00 N ATOM 527 CA GLU A 70 15.079 -0.822 -2.024 1.00 0.00 C ATOM 528 C GLU A 70 14.838 0.600 -1.412 1.00 0.00 C ATOM 529 O GLU A 70 14.896 1.615 -2.113 1.00 0.00 O ATOM 530 CB GLU A 70 15.872 -0.800 -3.366 1.00 0.00 C ATOM 531 CG GLU A 70 16.227 -2.161 -4.033 1.00 0.00 C ATOM 532 CD GLU A 70 17.239 -3.049 -3.312 1.00 0.00 C ATOM 533 OE1 GLU A 70 16.763 -3.514 -2.124 1.00 0.00 O ATOM 534 OE2 GLU A 70 18.341 -3.325 -3.771 1.00 0.00 O ATOM 0 H GLU A 70 13.305 -1.250 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 70 15.684 -1.358 -1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.295 -0.218 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.803 -0.261 -3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.305 -2.729 -4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 70 16.609 -1.957 -5.033 1.00 0.00 H new ATOM 535 N GLY A 71 14.561 0.656 -0.093 1.00 0.00 N ATOM 536 CA GLY A 71 14.184 1.904 0.641 1.00 0.00 C ATOM 537 C GLY A 71 15.255 2.987 0.872 1.00 0.00 C ATOM 538 O GLY A 71 15.705 3.226 1.992 1.00 0.00 O ATOM 0 H GLY A 71 14.590 -0.167 0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 71 13.359 2.367 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.799 1.608 1.617 1.00 0.00 H new ATOM 539 N ASP A 72 15.608 3.656 -0.220 1.00 0.00 N ATOM 540 CA ASP A 72 16.606 4.756 -0.230 1.00 0.00 C ATOM 541 C ASP A 72 15.908 6.124 -0.556 1.00 0.00 C ATOM 542 O ASP A 72 15.851 6.999 0.310 1.00 0.00 O ATOM 543 CB ASP A 72 17.730 4.355 -1.229 1.00 0.00 C ATOM 544 CG ASP A 72 18.577 3.142 -0.844 1.00 0.00 C ATOM 545 OD1 ASP A 72 19.526 3.446 0.087 1.00 0.00 O ATOM 546 OD2 ASP A 72 18.409 2.027 -1.326 1.00 0.00 O ATOM 0 H ASP A 72 15.214 3.459 -1.140 1.00 0.00 H new ATOM 0 HA ASP A 72 17.064 4.903 0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.272 4.159 -2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.394 5.209 -1.357 1.00 0.00 H new ATOM 547 N LYS A 73 15.400 6.311 -1.789 1.00 0.00 N ATOM 548 CA LYS A 73 14.617 7.513 -2.197 1.00 0.00 C ATOM 549 C LYS A 73 13.841 7.200 -3.527 1.00 0.00 C ATOM 550 O LYS A 73 14.394 6.617 -4.468 1.00 0.00 O ATOM 551 CB LYS A 73 15.502 8.794 -2.316 1.00 0.00 C ATOM 552 CG LYS A 73 16.603 8.822 -3.409 1.00 0.00 C ATOM 553 CD LYS A 73 17.425 10.128 -3.453 1.00 0.00 C ATOM 554 CE LYS A 73 16.643 11.347 -3.972 1.00 0.00 C ATOM 555 NZ LYS A 73 17.549 12.509 -4.066 1.00 0.00 N ATOM 0 H LYS A 73 15.517 5.633 -2.542 1.00 0.00 H new ATOM 0 HA LYS A 73 13.894 7.736 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.840 9.642 -2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.985 8.957 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.282 7.985 -3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.136 8.668 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.793 10.346 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.298 9.974 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.213 11.128 -4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.813 11.572 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.021 13.333 -4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.939 12.722 -3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.326 12.291 -4.722 1.00 0.00 H new ATOM 556 N SER A 74 12.560 7.595 -3.623 1.00 0.00 N ATOM 557 CA SER A 74 11.741 7.383 -4.850 1.00 0.00 C ATOM 558 C SER A 74 10.827 8.622 -5.096 1.00 0.00 C ATOM 559 O SER A 74 9.743 8.741 -4.519 1.00 0.00 O ATOM 560 CB SER A 74 10.946 6.066 -4.715 1.00 0.00 C ATOM 561 OG SER A 74 10.269 5.755 -5.930 1.00 0.00 O ATOM 0 H SER A 74 12.060 8.065 -2.869 1.00 0.00 H new ATOM 0 HA SER A 74 12.382 7.285 -5.726 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.623 5.253 -4.453 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.224 6.154 -3.903 1.00 0.00 H new ATOM 0 HG SER A 74 9.657 6.485 -6.159 1.00 0.00 H new ATOM 562 N LEU A 75 11.304 9.539 -5.959 1.00 0.00 N ATOM 563 CA LEU A 75 10.583 10.778 -6.395 1.00 0.00 C ATOM 564 C LEU A 75 10.369 11.819 -5.237 1.00 0.00 C ATOM 565 O LEU A 75 9.461 11.700 -4.412 1.00 0.00 O ATOM 566 CB LEU A 75 9.283 10.408 -7.176 1.00 0.00 C ATOM 567 CG LEU A 75 8.509 11.546 -7.892 1.00 0.00 C ATOM 568 CD1 LEU A 75 9.350 12.302 -8.935 1.00 0.00 C ATOM 569 CD2 LEU A 75 7.274 10.960 -8.598 1.00 0.00 C ATOM 0 H LEU A 75 12.224 9.448 -6.390 1.00 0.00 H new ATOM 0 HA LEU A 75 11.229 11.310 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.546 9.661 -7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.599 9.929 -6.476 1.00 0.00 H new ATOM 0 HG LEU A 75 8.230 12.261 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.744 13.083 -9.395 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.214 12.753 -8.448 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.689 11.606 -9.703 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.729 11.759 -9.101 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.592 10.219 -9.332 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.625 10.486 -7.862 1.00 0.00 H new ATOM 570 N VAL A 76 11.200 12.876 -5.204 1.00 0.00 N ATOM 571 CA VAL A 76 11.137 13.942 -4.142 1.00 0.00 C ATOM 572 C VAL A 76 9.797 14.770 -4.118 1.00 0.00 C ATOM 573 O VAL A 76 9.275 15.056 -3.037 1.00 0.00 O ATOM 574 CB VAL A 76 12.439 14.821 -4.243 1.00 0.00 C ATOM 575 CG1 VAL A 76 12.483 16.006 -3.246 1.00 0.00 C ATOM 576 CG2 VAL A 76 13.748 14.026 -3.988 1.00 0.00 C ATOM 0 H VAL A 76 11.933 13.031 -5.897 1.00 0.00 H new ATOM 0 HA VAL A 76 11.113 13.456 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 76 12.387 15.181 -5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.412 16.561 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.636 16.667 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.432 15.625 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.603 14.696 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.723 13.596 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.838 13.227 -4.724 1.00 0.00 H new ATOM 577 N GLY A 77 9.239 15.134 -5.281 1.00 0.00 N ATOM 578 CA GLY A 77 7.923 15.838 -5.360 1.00 0.00 C ATOM 579 C GLY A 77 6.608 15.015 -5.410 1.00 0.00 C ATOM 580 O GLY A 77 5.607 15.544 -5.897 1.00 0.00 O ATOM 0 H GLY A 77 9.669 14.958 -6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.858 16.502 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.945 16.469 -6.248 1.00 0.00 H new ATOM 581 N SER A 78 6.550 13.783 -4.878 1.00 0.00 N ATOM 582 CA SER A 78 5.281 12.994 -4.786 1.00 0.00 C ATOM 583 C SER A 78 4.457 13.290 -3.480 1.00 0.00 C ATOM 584 O SER A 78 4.167 12.370 -2.710 1.00 0.00 O ATOM 585 CB SER A 78 5.689 11.500 -4.919 1.00 0.00 C ATOM 586 OG SER A 78 6.453 11.026 -3.803 1.00 0.00 O ATOM 0 H SER A 78 7.364 13.298 -4.500 1.00 0.00 H new ATOM 0 HA SER A 78 4.597 13.281 -5.584 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.790 10.892 -5.022 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.270 11.368 -5.832 1.00 0.00 H new ATOM 0 HG SER A 78 7.401 11.230 -3.945 1.00 0.00 H new ATOM 587 N ILE A 79 4.076 14.568 -3.251 1.00 0.00 N ATOM 588 CA ILE A 79 3.402 15.098 -2.003 1.00 0.00 C ATOM 589 C ILE A 79 4.238 14.899 -0.678 1.00 0.00 C ATOM 590 O ILE A 79 4.586 15.879 -0.015 1.00 0.00 O ATOM 591 CB ILE A 79 1.865 14.777 -1.841 1.00 0.00 C ATOM 592 CG1 ILE A 79 1.468 13.275 -1.770 1.00 0.00 C ATOM 593 CG2 ILE A 79 1.047 15.463 -2.968 1.00 0.00 C ATOM 594 CD1 ILE A 79 0.131 13.005 -1.070 1.00 0.00 C ATOM 0 H ILE A 79 4.227 15.300 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 79 3.401 16.172 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 79 1.624 15.180 -0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.421 12.876 -2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.254 12.728 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.011 15.232 -2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.191 16.542 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.385 15.097 -3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.067 11.933 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.177 13.370 -0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.669 13.520 -1.602 1.00 0.00 H new ATOM 595 N THR A 80 4.533 13.655 -0.283 1.00 0.00 N ATOM 596 CA THR A 80 5.428 13.313 0.858 1.00 0.00 C ATOM 597 C THR A 80 6.653 12.498 0.342 1.00 0.00 C ATOM 598 O THR A 80 6.628 11.839 -0.706 1.00 0.00 O ATOM 599 CB THR A 80 4.680 12.504 1.962 1.00 0.00 C ATOM 600 OG1 THR A 80 4.027 11.353 1.436 1.00 0.00 O ATOM 601 CG2 THR A 80 3.625 13.353 2.660 1.00 0.00 C ATOM 0 H THR A 80 4.154 12.831 -0.750 1.00 0.00 H new ATOM 0 HA THR A 80 5.767 14.247 1.306 1.00 0.00 H new ATOM 0 HB THR A 80 5.449 12.197 2.671 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.272 11.113 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.124 12.757 3.423 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.102 14.214 3.128 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.893 13.697 1.929 1.00 0.00 H new ATOM 602 N ASN A 81 7.745 12.536 1.117 1.00 0.00 N ATOM 603 CA ASN A 81 8.985 11.791 0.797 1.00 0.00 C ATOM 604 C ASN A 81 9.660 11.364 2.139 1.00 0.00 C ATOM 605 O ASN A 81 10.429 12.116 2.742 1.00 0.00 O ATOM 606 CB ASN A 81 9.821 12.702 -0.137 1.00 0.00 C ATOM 607 CG ASN A 81 11.037 12.033 -0.778 1.00 0.00 C ATOM 608 OD1 ASN A 81 12.184 12.369 -0.521 1.00 0.00 O ATOM 609 ND2 ASN A 81 10.851 11.095 -1.673 1.00 0.00 N ATOM 0 H ASN A 81 7.801 13.078 1.979 1.00 0.00 H new ATOM 0 HA ASN A 81 8.831 10.857 0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.172 13.077 -0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 81 10.160 13.567 0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.652 10.665 -2.135 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.905 10.794 -1.908 1.00 0.00 H new ATOM 610 N THR A 82 9.303 10.165 2.626 1.00 0.00 N ATOM 611 CA THR A 82 9.808 9.614 3.920 1.00 0.00 C ATOM 612 C THR A 82 10.888 8.519 3.622 1.00 0.00 C ATOM 613 O THR A 82 12.051 8.871 3.408 1.00 0.00 O ATOM 614 CB THR A 82 8.583 9.260 4.839 1.00 0.00 C ATOM 615 OG1 THR A 82 9.038 8.548 5.982 1.00 0.00 O ATOM 616 CG2 THR A 82 7.437 8.415 4.246 1.00 0.00 C ATOM 0 H THR A 82 8.657 9.541 2.143 1.00 0.00 H new ATOM 0 HA THR A 82 10.360 10.331 4.528 1.00 0.00 H new ATOM 0 HB THR A 82 8.157 10.244 5.036 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.275 8.329 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.670 8.258 5.005 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.003 8.938 3.394 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.827 7.451 3.920 1.00 0.00 H new ATOM 617 N ASN A 83 10.550 7.221 3.583 1.00 0.00 N ATOM 618 CA ASN A 83 11.505 6.145 3.183 1.00 0.00 C ATOM 619 C ASN A 83 10.884 5.286 2.031 1.00 0.00 C ATOM 620 O ASN A 83 10.506 4.123 2.204 1.00 0.00 O ATOM 621 CB ASN A 83 11.913 5.364 4.464 1.00 0.00 C ATOM 622 CG ASN A 83 13.023 4.334 4.247 1.00 0.00 C ATOM 623 OD1 ASN A 83 12.788 3.139 4.124 1.00 0.00 O ATOM 624 ND2 ASN A 83 14.257 4.757 4.155 1.00 0.00 N ATOM 0 H ASN A 83 9.620 6.877 3.823 1.00 0.00 H new ATOM 0 HA ASN A 83 12.428 6.539 2.758 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.238 6.077 5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.034 4.856 4.861 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.012 4.093 3.982 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.464 5.751 4.256 1.00 0.00 H new ATOM 625 N PHE A 84 10.793 5.876 0.831 1.00 0.00 N ATOM 626 CA PHE A 84 10.266 5.169 -0.366 1.00 0.00 C ATOM 627 C PHE A 84 11.440 4.643 -1.247 1.00 0.00 C ATOM 628 O PHE A 84 12.543 5.195 -1.288 1.00 0.00 O ATOM 629 CB PHE A 84 9.304 6.083 -1.174 1.00 0.00 C ATOM 630 CG PHE A 84 8.082 6.668 -0.432 1.00 0.00 C ATOM 631 CD1 PHE A 84 7.098 5.822 0.090 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.932 8.051 -0.297 1.00 0.00 C ATOM 633 CE1 PHE A 84 5.983 6.347 0.738 1.00 0.00 C ATOM 634 CE2 PHE A 84 6.811 8.576 0.344 1.00 0.00 C ATOM 635 CZ PHE A 84 5.831 7.726 0.848 1.00 0.00 C ATOM 0 H PHE A 84 11.075 6.840 0.654 1.00 0.00 H new ATOM 0 HA PHE A 84 9.687 4.307 -0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.886 6.915 -1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.938 5.513 -2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.204 4.752 -0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.687 8.715 -0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.238 5.685 1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.703 9.645 0.450 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.953 8.136 1.324 1.00 0.00 H new ATOM 636 N GLY A 85 11.176 3.546 -1.952 1.00 0.00 N ATOM 637 CA GLY A 85 12.188 2.863 -2.788 1.00 0.00 C ATOM 638 C GLY A 85 11.666 2.298 -4.112 1.00 0.00 C ATOM 639 O GLY A 85 10.527 2.528 -4.516 1.00 0.00 O ATOM 0 H GLY A 85 10.260 3.098 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.993 3.566 -3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.623 2.048 -2.210 1.00 0.00 H new ATOM 640 N ILE A 86 12.520 1.527 -4.784 1.00 0.00 N ATOM 641 CA ILE A 86 12.127 0.799 -6.029 1.00 0.00 C ATOM 642 C ILE A 86 12.188 -0.739 -5.735 1.00 0.00 C ATOM 643 O ILE A 86 13.130 -1.250 -5.120 1.00 0.00 O ATOM 644 CB ILE A 86 13.011 1.216 -7.260 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.082 2.746 -7.557 1.00 0.00 C ATOM 646 CG2 ILE A 86 12.507 0.520 -8.551 1.00 0.00 C ATOM 647 CD1 ILE A 86 11.766 3.414 -7.999 1.00 0.00 C ATOM 0 H ILE A 86 13.489 1.379 -4.503 1.00 0.00 H new ATOM 0 HA ILE A 86 11.109 1.069 -6.309 1.00 0.00 H new ATOM 0 HB ILE A 86 14.014 0.898 -6.975 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.440 3.253 -6.661 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.828 2.910 -8.335 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.130 0.820 -9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.562 -0.561 -8.426 1.00 0.00 H new ATOM 0 HG23 ILE A 86 11.474 0.812 -8.742 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.938 4.476 -8.176 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.411 2.946 -8.917 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.016 3.294 -7.217 1.00 0.00 H new ATOM 648 N CYS A 87 11.185 -1.491 -6.205 1.00 0.00 N ATOM 649 CA CYS A 87 11.170 -2.970 -6.108 1.00 0.00 C ATOM 650 C CYS A 87 12.260 -3.662 -6.997 1.00 0.00 C ATOM 651 O CYS A 87 12.332 -3.375 -8.194 1.00 0.00 O ATOM 652 CB CYS A 87 9.749 -3.382 -6.526 1.00 0.00 C ATOM 653 SG CYS A 87 8.520 -2.998 -5.266 1.00 0.00 S ATOM 0 H CYS A 87 10.361 -1.101 -6.663 1.00 0.00 H new ATOM 0 HA CYS A 87 11.415 -3.293 -5.096 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.485 -2.874 -7.453 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.731 -4.452 -6.733 1.00 0.00 H new ATOM 654 N HIS A 88 13.129 -4.534 -6.444 1.00 0.00 N ATOM 655 CA HIS A 88 14.116 -5.300 -7.246 1.00 0.00 C ATOM 656 C HIS A 88 14.314 -6.745 -6.689 1.00 0.00 C ATOM 657 O HIS A 88 14.095 -7.057 -5.516 1.00 0.00 O ATOM 658 CB HIS A 88 15.455 -4.530 -7.290 1.00 0.00 C ATOM 659 CG HIS A 88 15.508 -3.363 -8.277 1.00 0.00 C ATOM 660 ND1 HIS A 88 15.686 -3.558 -9.640 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.274 -2.006 -7.994 1.00 0.00 C ATOM 662 CE1 HIS A 88 15.552 -2.261 -10.067 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.332 -1.263 -9.160 1.00 0.00 N ATOM 0 H HIS A 88 13.170 -4.728 -5.443 1.00 0.00 H new ATOM 0 HA HIS A 88 13.732 -5.404 -8.261 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.669 -4.149 -6.291 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.250 -5.232 -7.540 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.078 -1.603 -7.011 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.620 -2.029 -11.120 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.237 -0.257 -9.302 1.00 0.00 H new ATOM 664 N ASN A 89 14.778 -7.638 -7.569 1.00 0.00 N ATOM 665 CA ASN A 89 15.143 -9.026 -7.203 1.00 0.00 C ATOM 666 C ASN A 89 16.692 -9.090 -7.001 1.00 0.00 C ATOM 667 O ASN A 89 17.482 -8.997 -7.945 1.00 0.00 O ATOM 668 CB ASN A 89 14.629 -9.915 -8.351 1.00 0.00 C ATOM 669 CG ASN A 89 14.598 -11.407 -8.036 1.00 0.00 C ATOM 670 OD1 ASN A 89 15.553 -12.133 -8.274 1.00 0.00 O ATOM 671 ND2 ASN A 89 13.525 -11.911 -7.483 1.00 0.00 N ATOM 0 H ASN A 89 14.914 -7.427 -8.558 1.00 0.00 H new ATOM 0 HA ASN A 89 14.699 -9.371 -6.269 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.623 -9.593 -8.619 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.259 -9.755 -9.226 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.488 -12.904 -7.253 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.725 -11.311 -7.282 1.00 0.00 H new ATOM 672 N VAL A 90 17.106 -9.230 -5.744 1.00 0.00 N ATOM 673 CA VAL A 90 18.550 -9.195 -5.341 1.00 0.00 C ATOM 674 C VAL A 90 19.161 -10.637 -5.235 1.00 0.00 C ATOM 675 O VAL A 90 19.515 -11.151 -4.172 1.00 0.00 O ATOM 676 CB VAL A 90 18.664 -8.268 -4.082 1.00 0.00 C ATOM 677 CG1 VAL A 90 17.956 -8.744 -2.789 1.00 0.00 C ATOM 678 CG2 VAL A 90 20.123 -7.903 -3.740 1.00 0.00 C ATOM 0 H VAL A 90 16.468 -9.372 -4.961 1.00 0.00 H new ATOM 0 HA VAL A 90 19.186 -8.750 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 90 18.112 -7.390 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 90 18.114 -8.012 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 90 16.888 -8.850 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 90 18.368 -9.705 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 90 20.140 -7.260 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.687 -8.813 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.574 -7.378 -4.582 1.00 0.00 H new ATOM 679 N GLY A 91 19.283 -11.269 -6.409 1.00 0.00 N ATOM 680 CA GLY A 91 19.789 -12.668 -6.537 1.00 0.00 C ATOM 681 C GLY A 91 18.820 -13.819 -6.174 1.00 0.00 C ATOM 682 O GLY A 91 19.181 -14.677 -5.369 1.00 0.00 O ATOM 0 H GLY A 91 19.039 -10.839 -7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 91 20.113 -12.815 -7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 91 20.674 -12.764 -5.908 1.00 0.00 H new ATOM 683 N ARG A 92 17.628 -13.856 -6.800 1.00 0.00 N ATOM 684 CA ARG A 92 16.557 -14.881 -6.570 1.00 0.00 C ATOM 685 C ARG A 92 16.242 -15.236 -5.064 1.00 0.00 C ATOM 686 O ARG A 92 15.598 -14.431 -4.383 1.00 0.00 O ATOM 687 CB ARG A 92 16.748 -16.076 -7.562 1.00 0.00 C ATOM 688 CG ARG A 92 18.069 -16.895 -7.512 1.00 0.00 C ATOM 689 CD ARG A 92 17.930 -18.380 -7.903 1.00 0.00 C ATOM 690 NE ARG A 92 17.219 -19.172 -6.858 1.00 0.00 N ATOM 691 CZ ARG A 92 17.775 -19.687 -5.765 1.00 0.00 C ATOM 692 NH1 ARG A 92 19.038 -19.559 -5.451 1.00 0.00 N ATOM 693 NH2 ARG A 92 17.014 -20.349 -4.951 1.00 0.00 N ATOM 0 H ARG A 92 17.363 -13.163 -7.500 1.00 0.00 H new ATOM 0 HA ARG A 92 15.600 -14.422 -6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 92 15.924 -16.771 -7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.642 -15.684 -8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.795 -16.426 -8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.477 -16.837 -6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.389 -18.457 -8.846 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.920 -18.805 -8.068 1.00 0.00 H new ATOM 0 HE ARG A 92 16.221 -19.332 -6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.665 -19.036 -6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 92 19.396 -19.982 -4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 92 16.022 -20.462 -5.158 1.00 0.00 H new ATOM 0 HH22 ARG A 92 17.408 -20.757 -4.103 1.00 0.00 H new ATOM 694 N SER A 93 16.641 -16.414 -4.538 1.00 0.00 N ATOM 695 CA SER A 93 16.472 -16.834 -3.110 1.00 0.00 C ATOM 696 C SER A 93 14.994 -17.037 -2.645 1.00 0.00 C ATOM 697 O SER A 93 14.566 -18.106 -2.215 1.00 0.00 O ATOM 698 CB SER A 93 17.281 -15.895 -2.175 1.00 0.00 C ATOM 699 OG SER A 93 17.361 -16.437 -0.855 1.00 0.00 O ATOM 0 H SER A 93 17.104 -17.127 -5.102 1.00 0.00 H new ATOM 0 HA SER A 93 16.887 -17.839 -3.039 1.00 0.00 H new ATOM 0 HB2 SER A 93 18.285 -15.753 -2.576 1.00 0.00 H new ATOM 0 HB3 SER A 93 16.809 -14.913 -2.142 1.00 0.00 H new ATOM 0 HG SER A 93 17.876 -15.831 -0.283 1.00 0.00 H new TER 700 SER A 93 HETATM 701 O OH A 94 14.227 -15.908 -2.764 1.00 0.00 O