USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 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 37 ASN : amide:sc= 0.522 K(o=-1.5,f=-7.5!) USER MOD Set 1.2: A 42 GLN : amide:sc= -2.02! C(o=-1.5!,f=-7.1!) USER MOD Set 2.1: A 32 GLN : amide:sc= -0.871! X(o=-0.87!,f=-0.7) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 1 MET N :NH3+ 152:sc= -0.268 (180deg=-1.99!) USER MOD Set 3.2: A 3 GLN : amide:sc= 0.064 K(o=-0.2,f=-3.3) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0143 (180deg=-0.0143) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.492 X(o=-0.49,f=0.00018) USER MOD Single : A 8 GLN : amide:sc= 1.16 K(o=1.2,f=-0.31) USER MOD Single : A 12 MET CE :methyl 180:sc= -0.0757 (180deg=-0.0757) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.0905 USER MOD Single : A 19 SER OG : rot -67:sc= 1.25 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0321 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 170:sc= 0.0132 USER MOD Single : A 35 GLN : amide:sc= 0.534 K(o=0.53,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -2.85! C(o=-2.9!,f=-6.1!) USER MOD Single : A 51 THR OG1 : rot -94:sc= 1.25 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0.023 K(o=0.023,f=-2.7!) USER MOD Single : A 71 LYS NZ :NH3+ 148:sc= 0.88 (180deg=0.174) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.618 -7.854 -7.980 1.00 8.24 N ATOM 2 CA MET A 1 -10.380 -9.316 -7.987 1.00 7.36 C ATOM 3 C MET A 1 -8.870 -9.589 -7.975 1.00 5.79 C ATOM 4 O MET A 1 -8.127 -8.737 -7.504 1.00 5.93 O ATOM 5 CB MET A 1 -11.182 -9.979 -9.127 1.00 7.92 C ATOM 6 CG MET A 1 -11.861 -11.282 -8.687 1.00 8.30 C ATOM 7 SD MET A 1 -10.786 -12.720 -8.425 1.00 8.07 S ATOM 8 CE MET A 1 -10.441 -13.208 -10.138 1.00 7.76 C ATOM 0 H1 MET A 1 -11.524 -7.648 -8.447 1.00 8.24 H new ATOM 0 H2 MET A 1 -10.649 -7.512 -6.998 1.00 8.24 H new ATOM 0 H3 MET A 1 -9.849 -7.375 -8.490 1.00 8.24 H new ATOM 0 HA MET A 1 -10.759 -9.789 -7.081 1.00 7.36 H new ATOM 0 HB2 MET A 1 -11.939 -9.282 -9.487 1.00 7.92 H new ATOM 0 HB3 MET A 1 -10.515 -10.185 -9.964 1.00 7.92 H new ATOM 0 HG2 MET A 1 -12.399 -11.087 -7.759 1.00 8.30 H new ATOM 0 HG3 MET A 1 -12.605 -11.547 -9.438 1.00 8.30 H new ATOM 0 HE1 MET A 1 -9.790 -14.082 -10.143 1.00 7.76 H new ATOM 0 HE2 MET A 1 -11.376 -13.450 -10.643 1.00 7.76 H new ATOM 0 HE3 MET A 1 -9.950 -12.386 -10.659 1.00 7.76 H new ATOM 20 N ALA A 2 -8.372 -10.737 -8.453 1.00 4.81 N ATOM 21 CA ALA A 2 -6.947 -11.109 -8.449 1.00 3.52 C ATOM 22 C ALA A 2 -6.085 -10.190 -9.346 1.00 2.58 C ATOM 23 O ALA A 2 -5.742 -10.518 -10.480 1.00 2.79 O ATOM 24 CB ALA A 2 -6.841 -12.593 -8.831 1.00 3.97 C ATOM 0 H ALA A 2 -8.966 -11.456 -8.866 1.00 4.81 H new ATOM 0 HA ALA A 2 -6.537 -10.965 -7.449 1.00 3.52 H new ATOM 0 HB1 ALA A 2 -5.793 -12.894 -8.835 1.00 3.97 H new ATOM 0 HB2 ALA A 2 -7.388 -13.195 -8.106 1.00 3.97 H new ATOM 0 HB3 ALA A 2 -7.266 -12.745 -9.823 1.00 3.97 H new ATOM 30 N GLN A 3 -5.770 -9.000 -8.846 1.00 2.06 N ATOM 31 CA GLN A 3 -5.071 -7.933 -9.544 1.00 1.47 C ATOM 32 C GLN A 3 -3.984 -7.420 -8.598 1.00 1.10 C ATOM 33 O GLN A 3 -4.266 -6.601 -7.723 1.00 1.43 O ATOM 34 CB GLN A 3 -6.070 -6.804 -9.894 1.00 2.17 C ATOM 35 CG GLN A 3 -6.891 -7.011 -11.177 1.00 2.79 C ATOM 36 CD GLN A 3 -8.028 -8.036 -11.097 1.00 3.10 C ATOM 37 OE1 GLN A 3 -9.032 -7.866 -10.418 1.00 3.91 O ATOM 38 NE2 GLN A 3 -7.942 -9.131 -11.821 1.00 4.12 N ATOM 0 H GLN A 3 -6.010 -8.742 -7.889 1.00 2.06 H new ATOM 0 HA GLN A 3 -4.628 -8.286 -10.475 1.00 1.47 H new ATOM 0 HB2 GLN A 3 -6.760 -6.684 -9.059 1.00 2.17 H new ATOM 0 HB3 GLN A 3 -5.516 -5.870 -9.987 1.00 2.17 H new ATOM 0 HG2 GLN A 3 -7.316 -6.051 -11.470 1.00 2.79 H new ATOM 0 HG3 GLN A 3 -6.211 -7.315 -11.973 1.00 2.79 H new ATOM 0 HE21 GLN A 3 -7.117 -9.298 -12.396 1.00 4.12 H new ATOM 0 HE22 GLN A 3 -8.701 -9.813 -11.807 1.00 4.12 H new ATOM 47 N THR A 4 -2.742 -7.899 -8.747 1.00 0.77 N ATOM 48 CA THR A 4 -1.621 -7.362 -7.969 1.00 0.72 C ATOM 49 C THR A 4 -1.032 -6.179 -8.714 1.00 0.84 C ATOM 50 O THR A 4 -0.748 -6.251 -9.907 1.00 1.12 O ATOM 51 CB THR A 4 -0.593 -8.431 -7.567 1.00 0.79 C ATOM 52 OG1 THR A 4 0.396 -7.800 -6.795 1.00 0.93 O ATOM 53 CG2 THR A 4 0.094 -9.130 -8.742 1.00 1.11 C ATOM 0 H THR A 4 -2.491 -8.649 -9.392 1.00 0.77 H new ATOM 0 HA THR A 4 -1.991 -7.005 -7.008 1.00 0.72 H new ATOM 0 HB THR A 4 -1.138 -9.205 -7.027 1.00 0.79 H new ATOM 0 HG1 THR A 4 1.067 -8.459 -6.521 1.00 0.93 H new ATOM 0 HG21 THR A 4 0.802 -9.867 -8.363 1.00 1.11 H new ATOM 0 HG22 THR A 4 -0.655 -9.629 -9.357 1.00 1.11 H new ATOM 0 HG23 THR A 4 0.625 -8.393 -9.344 1.00 1.11 H new ATOM 61 N ILE A 5 -0.890 -5.070 -7.998 1.00 0.70 N ATOM 62 CA ILE A 5 -0.205 -3.863 -8.444 1.00 0.77 C ATOM 63 C ILE A 5 1.140 -3.857 -7.722 1.00 0.60 C ATOM 64 O ILE A 5 1.195 -4.034 -6.502 1.00 0.50 O ATOM 65 CB ILE A 5 -1.018 -2.580 -8.132 1.00 0.94 C ATOM 66 CG1 ILE A 5 -2.347 -2.435 -8.915 1.00 1.33 C ATOM 67 CG2 ILE A 5 -0.187 -1.323 -8.467 1.00 1.01 C ATOM 68 CD1 ILE A 5 -3.411 -3.506 -8.652 1.00 1.43 C ATOM 0 H ILE A 5 -1.264 -4.984 -7.053 1.00 0.70 H new ATOM 0 HA ILE A 5 -0.080 -3.867 -9.527 1.00 0.77 H new ATOM 0 HB ILE A 5 -1.253 -2.672 -7.072 1.00 0.94 H new ATOM 0 HG12 ILE A 5 -2.777 -1.461 -8.681 1.00 1.33 H new ATOM 0 HG13 ILE A 5 -2.118 -2.435 -9.981 1.00 1.33 H new ATOM 0 HG21 ILE A 5 -0.771 -0.430 -8.243 1.00 1.01 H new ATOM 0 HG22 ILE A 5 0.725 -1.320 -7.870 1.00 1.01 H new ATOM 0 HG23 ILE A 5 0.073 -1.330 -9.526 1.00 1.01 H new ATOM 0 HD11 ILE A 5 -4.294 -3.298 -9.256 1.00 1.43 H new ATOM 0 HD12 ILE A 5 -3.014 -4.486 -8.916 1.00 1.43 H new ATOM 0 HD13 ILE A 5 -3.683 -3.497 -7.597 1.00 1.43 H new ATOM 80 N ASN A 6 2.204 -3.633 -8.485 1.00 0.69 N ATOM 81 CA ASN A 6 3.528 -3.294 -7.981 1.00 0.56 C ATOM 82 C ASN A 6 3.848 -1.859 -8.416 1.00 0.47 C ATOM 83 O ASN A 6 3.592 -1.463 -9.557 1.00 0.68 O ATOM 84 CB ASN A 6 4.583 -4.303 -8.465 1.00 0.69 C ATOM 85 CG ASN A 6 4.674 -4.365 -9.981 1.00 0.98 C ATOM 86 OD1 ASN A 6 5.570 -3.807 -10.594 1.00 2.09 O ATOM 87 ND2 ASN A 6 3.719 -5.008 -10.627 1.00 1.07 N ATOM 0 H ASN A 6 2.167 -3.684 -9.503 1.00 0.69 H new ATOM 0 HA ASN A 6 3.544 -3.348 -6.892 1.00 0.56 H new ATOM 0 HB2 ASN A 6 5.556 -4.031 -8.056 1.00 0.69 H new ATOM 0 HB3 ASN A 6 4.340 -5.292 -8.078 1.00 0.69 H new ATOM 0 HD21 ASN A 6 3.726 -5.041 -11.646 1.00 1.07 H new ATOM 0 HD22 ASN A 6 2.974 -5.472 -10.107 1.00 1.07 H new ATOM 94 N LEU A 7 4.340 -1.063 -7.473 1.00 0.42 N ATOM 95 CA LEU A 7 4.527 0.376 -7.613 1.00 0.37 C ATOM 96 C LEU A 7 5.602 0.864 -6.634 1.00 0.38 C ATOM 97 O LEU A 7 6.125 0.080 -5.851 1.00 0.46 O ATOM 98 CB LEU A 7 3.161 1.097 -7.505 1.00 0.43 C ATOM 99 CG LEU A 7 2.614 1.413 -6.091 1.00 0.51 C ATOM 100 CD1 LEU A 7 1.402 2.346 -6.217 1.00 0.67 C ATOM 101 CD2 LEU A 7 2.173 0.151 -5.337 1.00 0.51 C ATOM 0 H LEU A 7 4.629 -1.414 -6.560 1.00 0.42 H new ATOM 0 HA LEU A 7 4.908 0.626 -8.603 1.00 0.37 H new ATOM 0 HB2 LEU A 7 3.236 2.037 -8.052 1.00 0.43 H new ATOM 0 HB3 LEU A 7 2.420 0.487 -8.021 1.00 0.43 H new ATOM 0 HG LEU A 7 3.422 1.880 -5.528 1.00 0.51 H new ATOM 0 HD11 LEU A 7 1.012 2.572 -5.225 1.00 0.67 H new ATOM 0 HD12 LEU A 7 1.704 3.271 -6.708 1.00 0.67 H new ATOM 0 HD13 LEU A 7 0.627 1.858 -6.809 1.00 0.67 H new ATOM 0 HD21 LEU A 7 1.798 0.428 -4.352 1.00 0.51 H new ATOM 0 HD22 LEU A 7 1.384 -0.351 -5.898 1.00 0.51 H new ATOM 0 HD23 LEU A 7 3.023 -0.522 -5.225 1.00 0.51 H new ATOM 113 N GLN A 8 5.957 2.140 -6.680 1.00 0.36 N ATOM 114 CA GLN A 8 6.833 2.814 -5.718 1.00 0.39 C ATOM 115 C GLN A 8 6.008 3.593 -4.685 1.00 0.42 C ATOM 116 O GLN A 8 4.787 3.699 -4.809 1.00 0.60 O ATOM 117 CB GLN A 8 7.865 3.645 -6.488 1.00 0.47 C ATOM 118 CG GLN A 8 8.993 2.724 -6.982 1.00 0.71 C ATOM 119 CD GLN A 8 9.822 3.386 -8.079 1.00 1.04 C ATOM 120 OE1 GLN A 8 9.771 3.020 -9.245 1.00 1.32 O ATOM 121 NE2 GLN A 8 10.575 4.411 -7.756 1.00 1.32 N ATOM 0 H GLN A 8 5.632 2.765 -7.418 1.00 0.36 H new ATOM 0 HA GLN A 8 7.397 2.094 -5.125 1.00 0.39 H new ATOM 0 HB2 GLN A 8 7.390 4.143 -7.333 1.00 0.47 H new ATOM 0 HB3 GLN A 8 8.272 4.426 -5.846 1.00 0.47 H new ATOM 0 HG2 GLN A 8 9.640 2.460 -6.146 1.00 0.71 H new ATOM 0 HG3 GLN A 8 8.565 1.795 -7.359 1.00 0.71 H new ATOM 0 HE21 GLN A 8 10.623 4.723 -6.786 1.00 1.32 H new ATOM 0 HE22 GLN A 8 11.112 4.896 -8.475 1.00 1.32 H new ATOM 130 N LEU A 9 6.646 4.164 -3.659 1.00 0.51 N ATOM 131 CA LEU A 9 5.900 4.778 -2.554 1.00 0.52 C ATOM 132 C LEU A 9 6.570 6.083 -2.094 1.00 0.58 C ATOM 133 O LEU A 9 7.569 6.069 -1.372 1.00 0.86 O ATOM 134 CB LEU A 9 5.761 3.720 -1.439 1.00 0.56 C ATOM 135 CG LEU A 9 4.607 3.945 -0.439 1.00 0.76 C ATOM 136 CD1 LEU A 9 4.541 2.708 0.470 1.00 2.18 C ATOM 137 CD2 LEU A 9 4.770 5.197 0.434 1.00 1.64 C ATOM 0 H LEU A 9 7.661 4.215 -3.569 1.00 0.51 H new ATOM 0 HA LEU A 9 4.900 5.077 -2.869 1.00 0.52 H new ATOM 0 HB2 LEU A 9 5.627 2.744 -1.905 1.00 0.56 H new ATOM 0 HB3 LEU A 9 6.697 3.682 -0.882 1.00 0.56 H new ATOM 0 HG LEU A 9 3.695 4.097 -1.016 1.00 0.76 H new ATOM 0 HD11 LEU A 9 3.734 2.830 1.193 1.00 2.18 H new ATOM 0 HD12 LEU A 9 4.354 1.821 -0.135 1.00 2.18 H new ATOM 0 HD13 LEU A 9 5.487 2.594 0.998 1.00 2.18 H new ATOM 0 HD21 LEU A 9 3.918 5.283 1.109 1.00 1.64 H new ATOM 0 HD22 LEU A 9 5.688 5.118 1.016 1.00 1.64 H new ATOM 0 HD23 LEU A 9 4.819 6.080 -0.203 1.00 1.64 H new ATOM 149 N GLU A 10 5.977 7.220 -2.460 1.00 0.69 N ATOM 150 CA GLU A 10 6.423 8.556 -2.047 1.00 0.73 C ATOM 151 C GLU A 10 6.050 8.804 -0.581 1.00 0.78 C ATOM 152 O GLU A 10 5.046 9.443 -0.256 1.00 0.78 O ATOM 153 CB GLU A 10 5.815 9.622 -2.971 1.00 1.03 C ATOM 154 CG GLU A 10 6.595 9.751 -4.284 1.00 1.56 C ATOM 155 CD GLU A 10 5.741 10.331 -5.409 1.00 2.08 C ATOM 156 OE1 GLU A 10 4.586 9.881 -5.567 1.00 3.14 O ATOM 157 OE2 GLU A 10 6.290 11.110 -6.222 1.00 2.75 O ATOM 0 H GLU A 10 5.156 7.241 -3.065 1.00 0.69 H new ATOM 0 HA GLU A 10 7.508 8.619 -2.132 1.00 0.73 H new ATOM 0 HB2 GLU A 10 4.778 9.366 -3.188 1.00 1.03 H new ATOM 0 HB3 GLU A 10 5.805 10.584 -2.458 1.00 1.03 H new ATOM 0 HG2 GLU A 10 7.466 10.388 -4.126 1.00 1.56 H new ATOM 0 HG3 GLU A 10 6.967 8.770 -4.581 1.00 1.56 H new ATOM 164 N GLY A 11 6.867 8.257 0.320 1.00 2.00 N ATOM 165 CA GLY A 11 6.684 8.340 1.752 1.00 2.59 C ATOM 166 C GLY A 11 7.916 7.854 2.484 1.00 2.30 C ATOM 167 O GLY A 11 8.961 8.499 2.439 1.00 2.70 O ATOM 0 H GLY A 11 7.698 7.729 0.055 1.00 2.00 H new ATOM 0 HA2 GLY A 11 6.470 9.370 2.036 1.00 2.59 H new ATOM 0 HA3 GLY A 11 5.821 7.743 2.047 1.00 2.59 H new ATOM 171 N MET A 12 7.744 6.734 3.190 1.00 2.38 N ATOM 172 CA MET A 12 8.741 6.047 4.039 1.00 2.28 C ATOM 173 C MET A 12 9.625 6.995 4.885 1.00 1.98 C ATOM 174 O MET A 12 10.828 6.789 5.018 1.00 2.94 O ATOM 175 CB MET A 12 9.537 5.024 3.199 1.00 2.43 C ATOM 176 CG MET A 12 10.333 5.638 2.040 1.00 2.53 C ATOM 177 SD MET A 12 11.412 4.457 1.202 1.00 3.14 S ATOM 178 CE MET A 12 12.189 5.597 0.031 1.00 4.61 C ATOM 0 H MET A 12 6.849 6.245 3.189 1.00 2.38 H new ATOM 0 HA MET A 12 8.191 5.494 4.801 1.00 2.28 H new ATOM 0 HB2 MET A 12 10.226 4.491 3.855 1.00 2.43 H new ATOM 0 HB3 MET A 12 8.844 4.285 2.797 1.00 2.43 H new ATOM 0 HG2 MET A 12 9.637 6.060 1.315 1.00 2.53 H new ATOM 0 HG3 MET A 12 10.936 6.463 2.420 1.00 2.53 H new ATOM 0 HE1 MET A 12 12.901 5.052 -0.589 1.00 4.61 H new ATOM 0 HE2 MET A 12 11.424 6.045 -0.603 1.00 4.61 H new ATOM 0 HE3 MET A 12 12.711 6.382 0.579 1.00 4.61 H new ATOM 188 N ARG A 13 9.039 8.088 5.402 1.00 1.36 N ATOM 189 CA ARG A 13 9.814 9.271 5.814 1.00 1.50 C ATOM 190 C ARG A 13 10.752 9.065 7.009 1.00 1.41 C ATOM 191 O ARG A 13 11.884 9.539 6.952 1.00 2.24 O ATOM 192 CB ARG A 13 8.889 10.475 6.084 1.00 2.42 C ATOM 193 CG ARG A 13 8.284 11.142 4.835 1.00 3.39 C ATOM 194 CD ARG A 13 9.305 11.901 3.965 1.00 3.30 C ATOM 195 NE ARG A 13 10.005 11.005 3.028 1.00 3.90 N ATOM 196 CZ ARG A 13 11.305 10.752 2.922 1.00 4.46 C ATOM 197 NH1 ARG A 13 12.209 11.336 3.682 1.00 4.74 N ATOM 198 NH2 ARG A 13 11.699 9.859 2.040 1.00 5.78 N ATOM 0 H ARG A 13 8.033 8.177 5.544 1.00 1.36 H new ATOM 0 HA ARG A 13 10.464 9.469 4.961 1.00 1.50 H new ATOM 0 HB2 ARG A 13 8.074 10.147 6.729 1.00 2.42 H new ATOM 0 HB3 ARG A 13 9.452 11.226 6.638 1.00 2.42 H new ATOM 0 HG2 ARG A 13 7.803 10.377 4.226 1.00 3.39 H new ATOM 0 HG3 ARG A 13 7.505 11.836 5.149 1.00 3.39 H new ATOM 0 HD2 ARG A 13 8.793 12.683 3.405 1.00 3.30 H new ATOM 0 HD3 ARG A 13 10.034 12.394 4.608 1.00 3.30 H new ATOM 0 HE ARG A 13 9.407 10.509 2.367 1.00 3.90 H new ATOM 0 HH11 ARG A 13 11.921 12.014 4.388 1.00 4.74 H new ATOM 0 HH12 ARG A 13 13.197 11.110 3.565 1.00 4.74 H new ATOM 0 HH21 ARG A 13 11.012 9.380 1.458 1.00 5.78 H new ATOM 0 HH22 ARG A 13 12.691 9.646 1.938 1.00 5.78 H new ATOM 212 N CYS A 14 10.254 8.439 8.084 1.00 1.56 N ATOM 213 CA CYS A 14 10.860 8.473 9.435 1.00 1.94 C ATOM 214 C CYS A 14 10.068 7.733 10.536 1.00 2.39 C ATOM 215 O CYS A 14 10.391 7.876 11.712 1.00 4.08 O ATOM 216 CB CYS A 14 11.066 9.948 9.853 1.00 2.50 C ATOM 217 SG CYS A 14 9.461 10.804 9.902 1.00 3.73 S ATOM 0 H CYS A 14 9.401 7.881 8.045 1.00 1.56 H new ATOM 0 HA CYS A 14 11.803 7.933 9.350 1.00 1.94 H new ATOM 0 HB2 CYS A 14 11.544 9.995 10.832 1.00 2.50 H new ATOM 0 HB3 CYS A 14 11.733 10.446 9.149 1.00 2.50 H new ATOM 0 HG CYS A 14 9.640 12.042 10.256 1.00 3.73 H new ATOM 223 N ALA A 15 8.987 7.017 10.203 1.00 1.80 N ATOM 224 CA ALA A 15 7.983 6.594 11.183 1.00 2.45 C ATOM 225 C ALA A 15 7.197 5.359 10.722 1.00 1.73 C ATOM 226 O ALA A 15 7.126 5.062 9.529 1.00 2.31 O ATOM 227 CB ALA A 15 7.049 7.782 11.470 1.00 3.73 C ATOM 0 H ALA A 15 8.785 6.716 9.249 1.00 1.80 H new ATOM 0 HA ALA A 15 8.491 6.294 12.099 1.00 2.45 H new ATOM 0 HB1 ALA A 15 6.295 7.484 12.198 1.00 3.73 H new ATOM 0 HB2 ALA A 15 7.630 8.614 11.869 1.00 3.73 H new ATOM 0 HB3 ALA A 15 6.559 8.091 10.547 1.00 3.73 H new ATOM 233 N ALA A 16 6.572 4.674 11.687 1.00 1.48 N ATOM 234 CA ALA A 16 5.903 3.375 11.540 1.00 1.15 C ATOM 235 C ALA A 16 4.633 3.360 10.659 1.00 1.04 C ATOM 236 O ALA A 16 4.123 2.280 10.355 1.00 1.12 O ATOM 237 CB ALA A 16 5.606 2.848 12.952 1.00 1.68 C ATOM 0 H ALA A 16 6.516 5.029 12.642 1.00 1.48 H new ATOM 0 HA ALA A 16 6.586 2.726 10.992 1.00 1.15 H new ATOM 0 HB1 ALA A 16 5.107 1.881 12.882 1.00 1.68 H new ATOM 0 HB2 ALA A 16 6.540 2.736 13.502 1.00 1.68 H new ATOM 0 HB3 ALA A 16 4.959 3.553 13.475 1.00 1.68 H new ATOM 243 N CYS A 17 4.137 4.519 10.197 1.00 1.04 N ATOM 244 CA CYS A 17 3.004 4.662 9.284 1.00 1.05 C ATOM 245 C CYS A 17 3.084 3.762 8.042 1.00 0.86 C ATOM 246 O CYS A 17 2.040 3.366 7.536 1.00 0.81 O ATOM 247 CB CYS A 17 2.923 6.138 8.860 1.00 1.31 C ATOM 248 SG CYS A 17 2.796 7.221 10.310 1.00 2.06 S ATOM 0 H CYS A 17 4.536 5.419 10.465 1.00 1.04 H new ATOM 0 HA CYS A 17 2.108 4.343 9.816 1.00 1.05 H new ATOM 0 HB2 CYS A 17 3.807 6.403 8.279 1.00 1.31 H new ATOM 0 HB3 CYS A 17 2.059 6.288 8.212 1.00 1.31 H new ATOM 0 HG CYS A 17 2.732 8.460 9.922 1.00 2.06 H new ATOM 254 N ALA A 18 4.288 3.430 7.562 1.00 0.89 N ATOM 255 CA ALA A 18 4.502 2.758 6.286 1.00 0.88 C ATOM 256 C ALA A 18 3.993 1.307 6.298 1.00 0.69 C ATOM 257 O ALA A 18 3.071 0.990 5.557 1.00 0.74 O ATOM 258 CB ALA A 18 5.983 2.894 5.933 1.00 1.17 C ATOM 0 H ALA A 18 5.154 3.627 8.063 1.00 0.89 H new ATOM 0 HA ALA A 18 3.911 3.231 5.502 1.00 0.88 H new ATOM 0 HB1 ALA A 18 6.177 2.400 4.981 1.00 1.17 H new ATOM 0 HB2 ALA A 18 6.243 3.950 5.854 1.00 1.17 H new ATOM 0 HB3 ALA A 18 6.587 2.429 6.712 1.00 1.17 H new ATOM 264 N SER A 19 4.452 0.447 7.207 1.00 0.68 N ATOM 265 CA SER A 19 3.810 -0.879 7.382 1.00 0.80 C ATOM 266 C SER A 19 2.435 -0.781 8.071 1.00 0.67 C ATOM 267 O SER A 19 1.636 -1.715 8.044 1.00 0.69 O ATOM 268 CB SER A 19 4.739 -1.869 8.085 1.00 1.10 C ATOM 269 OG SER A 19 5.783 -2.206 7.196 1.00 2.15 O ATOM 0 H SER A 19 5.244 0.626 7.824 1.00 0.68 H new ATOM 0 HA SER A 19 3.622 -1.271 6.383 1.00 0.80 H new ATOM 0 HB2 SER A 19 5.144 -1.428 8.996 1.00 1.10 H new ATOM 0 HB3 SER A 19 4.188 -2.762 8.380 1.00 1.10 H new ATOM 0 HG SER A 19 5.418 -2.708 6.438 1.00 2.15 H new ATOM 275 N SER A 20 2.082 0.381 8.624 1.00 0.60 N ATOM 276 CA SER A 20 0.697 0.694 8.985 1.00 0.61 C ATOM 277 C SER A 20 -0.230 0.900 7.764 1.00 0.57 C ATOM 278 O SER A 20 -1.454 0.870 7.927 1.00 0.63 O ATOM 279 CB SER A 20 0.663 1.890 9.946 1.00 0.68 C ATOM 280 OG SER A 20 -0.038 1.567 11.135 1.00 1.20 O ATOM 0 H SER A 20 2.744 1.128 8.834 1.00 0.60 H new ATOM 0 HA SER A 20 0.292 -0.179 9.497 1.00 0.61 H new ATOM 0 HB2 SER A 20 1.681 2.193 10.191 1.00 0.68 H new ATOM 0 HB3 SER A 20 0.186 2.740 9.458 1.00 0.68 H new ATOM 0 HG SER A 20 -0.045 2.344 11.732 1.00 1.20 H new ATOM 286 N ILE A 21 0.313 1.055 6.544 1.00 0.54 N ATOM 287 CA ILE A 21 -0.414 0.858 5.269 1.00 0.57 C ATOM 288 C ILE A 21 -0.745 -0.623 5.125 1.00 0.62 C ATOM 289 O ILE A 21 -1.919 -0.976 5.068 1.00 0.70 O ATOM 290 CB ILE A 21 0.398 1.337 4.034 1.00 0.59 C ATOM 291 CG1 ILE A 21 0.783 2.827 4.157 1.00 0.57 C ATOM 292 CG2 ILE A 21 -0.371 1.053 2.725 1.00 0.70 C ATOM 293 CD1 ILE A 21 1.815 3.293 3.131 1.00 0.66 C ATOM 0 H ILE A 21 1.287 1.326 6.409 1.00 0.54 H new ATOM 0 HA ILE A 21 -1.321 1.462 5.301 1.00 0.57 H new ATOM 0 HB ILE A 21 1.327 0.767 4.001 1.00 0.59 H new ATOM 0 HG12 ILE A 21 -0.117 3.433 4.052 1.00 0.57 H new ATOM 0 HG13 ILE A 21 1.175 3.008 5.158 1.00 0.57 H new ATOM 0 HG21 ILE A 21 0.218 1.397 1.875 1.00 0.70 H new ATOM 0 HG22 ILE A 21 -0.549 -0.018 2.633 1.00 0.70 H new ATOM 0 HG23 ILE A 21 -1.325 1.579 2.742 1.00 0.70 H new ATOM 0 HD11 ILE A 21 2.030 4.350 3.286 1.00 0.66 H new ATOM 0 HD12 ILE A 21 2.732 2.715 3.249 1.00 0.66 H new ATOM 0 HD13 ILE A 21 1.420 3.147 2.126 1.00 0.66 H new ATOM 305 N GLU A 22 0.264 -1.495 5.122 1.00 0.61 N ATOM 306 CA GLU A 22 0.081 -2.943 4.985 1.00 0.68 C ATOM 307 C GLU A 22 -0.926 -3.475 6.021 1.00 0.67 C ATOM 308 O GLU A 22 -1.840 -4.222 5.677 1.00 0.66 O ATOM 309 CB GLU A 22 1.440 -3.653 5.125 1.00 0.75 C ATOM 310 CG GLU A 22 2.480 -3.161 4.105 1.00 0.90 C ATOM 311 CD GLU A 22 3.837 -3.820 4.332 1.00 0.87 C ATOM 312 OE1 GLU A 22 4.440 -3.486 5.377 1.00 2.09 O ATOM 313 OE2 GLU A 22 4.271 -4.602 3.450 1.00 1.92 O ATOM 0 H GLU A 22 1.240 -1.215 5.215 1.00 0.61 H new ATOM 0 HA GLU A 22 -0.327 -3.152 3.996 1.00 0.68 H new ATOM 0 HB2 GLU A 22 1.824 -3.496 6.133 1.00 0.75 H new ATOM 0 HB3 GLU A 22 1.298 -4.727 5.002 1.00 0.75 H new ATOM 0 HG2 GLU A 22 2.133 -3.379 3.095 1.00 0.90 H new ATOM 0 HG3 GLU A 22 2.582 -2.078 4.181 1.00 0.90 H new ATOM 320 N ARG A 23 -0.831 -3.011 7.273 1.00 0.73 N ATOM 321 CA ARG A 23 -1.755 -3.352 8.357 1.00 0.84 C ATOM 322 C ARG A 23 -3.155 -2.730 8.203 1.00 0.90 C ATOM 323 O ARG A 23 -4.111 -3.256 8.775 1.00 1.00 O ATOM 324 CB ARG A 23 -1.104 -2.953 9.696 1.00 0.90 C ATOM 325 CG ARG A 23 -1.696 -3.690 10.910 1.00 1.06 C ATOM 326 CD ARG A 23 -1.353 -5.191 10.912 1.00 1.65 C ATOM 327 NE ARG A 23 -2.531 -6.021 11.230 1.00 2.61 N ATOM 328 CZ ARG A 23 -2.813 -6.631 12.380 1.00 2.87 C ATOM 329 NH1 ARG A 23 -2.065 -6.503 13.458 1.00 3.02 N ATOM 330 NH2 ARG A 23 -3.879 -7.400 12.456 1.00 3.87 N ATOM 0 H ARG A 23 -0.091 -2.373 7.565 1.00 0.73 H new ATOM 0 HA ARG A 23 -1.928 -4.428 8.323 1.00 0.84 H new ATOM 0 HB2 ARG A 23 -0.034 -3.155 9.645 1.00 0.90 H new ATOM 0 HB3 ARG A 23 -1.219 -1.879 9.841 1.00 0.90 H new ATOM 0 HG2 ARG A 23 -1.322 -3.234 11.826 1.00 1.06 H new ATOM 0 HG3 ARG A 23 -2.779 -3.568 10.913 1.00 1.06 H new ATOM 0 HD2 ARG A 23 -0.960 -5.476 9.936 1.00 1.65 H new ATOM 0 HD3 ARG A 23 -0.565 -5.383 11.641 1.00 1.65 H new ATOM 0 HE ARG A 23 -3.211 -6.142 10.479 1.00 2.61 H new ATOM 0 HH11 ARG A 23 -1.230 -5.917 13.433 1.00 3.02 H new ATOM 0 HH12 ARG A 23 -2.321 -6.990 14.317 1.00 3.02 H new ATOM 0 HH21 ARG A 23 -4.478 -7.523 11.640 1.00 3.87 H new ATOM 0 HH22 ARG A 23 -4.106 -7.873 13.331 1.00 3.87 H new ATOM 344 N ALA A 24 -3.311 -1.624 7.469 1.00 0.88 N ATOM 345 CA ALA A 24 -4.622 -1.073 7.105 1.00 0.95 C ATOM 346 C ALA A 24 -5.261 -1.825 5.922 1.00 0.88 C ATOM 347 O ALA A 24 -6.454 -2.119 5.976 1.00 0.99 O ATOM 348 CB ALA A 24 -4.485 0.431 6.820 1.00 1.00 C ATOM 0 H ALA A 24 -2.526 -1.081 7.108 1.00 0.88 H new ATOM 0 HA ALA A 24 -5.300 -1.210 7.948 1.00 0.95 H new ATOM 0 HB1 ALA A 24 -5.458 0.840 6.550 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -4.113 0.938 7.710 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -3.786 0.583 5.997 1.00 1.00 H new ATOM 354 N ILE A 25 -4.478 -2.192 4.903 1.00 0.75 N ATOM 355 CA ILE A 25 -4.930 -3.001 3.758 1.00 0.68 C ATOM 356 C ILE A 25 -5.236 -4.447 4.149 1.00 0.63 C ATOM 357 O ILE A 25 -6.173 -5.025 3.604 1.00 0.62 O ATOM 358 CB ILE A 25 -3.900 -2.892 2.612 1.00 0.73 C ATOM 359 CG1 ILE A 25 -3.964 -1.514 1.915 1.00 0.93 C ATOM 360 CG2 ILE A 25 -4.060 -4.002 1.565 1.00 0.70 C ATOM 361 CD1 ILE A 25 -5.349 -1.123 1.365 1.00 2.82 C ATOM 0 H ILE A 25 -3.493 -1.932 4.846 1.00 0.75 H new ATOM 0 HA ILE A 25 -5.879 -2.601 3.401 1.00 0.68 H new ATOM 0 HB ILE A 25 -2.924 -3.009 3.082 1.00 0.73 H new ATOM 0 HG12 ILE A 25 -3.643 -0.751 2.624 1.00 0.93 H new ATOM 0 HG13 ILE A 25 -3.249 -1.507 1.093 1.00 0.93 H new ATOM 0 HG21 ILE A 25 -3.311 -3.876 0.784 1.00 0.70 H new ATOM 0 HG22 ILE A 25 -3.928 -4.973 2.041 1.00 0.70 H new ATOM 0 HG23 ILE A 25 -5.056 -3.946 1.125 1.00 0.70 H new ATOM 0 HD11 ILE A 25 -5.290 -0.141 0.895 1.00 2.82 H new ATOM 0 HD12 ILE A 25 -5.669 -1.859 0.628 1.00 2.82 H new ATOM 0 HD13 ILE A 25 -6.069 -1.092 2.182 1.00 2.82 H new ATOM 373 N ALA A 26 -4.571 -4.984 5.173 1.00 0.64 N ATOM 374 CA ALA A 26 -4.910 -6.268 5.800 1.00 0.64 C ATOM 375 C ALA A 26 -6.383 -6.402 6.270 1.00 0.68 C ATOM 376 O ALA A 26 -6.799 -7.488 6.660 1.00 0.72 O ATOM 377 CB ALA A 26 -3.928 -6.514 6.952 1.00 0.67 C ATOM 0 H ALA A 26 -3.764 -4.531 5.601 1.00 0.64 H new ATOM 0 HA ALA A 26 -4.815 -7.036 5.033 1.00 0.64 H new ATOM 0 HB1 ALA A 26 -4.162 -7.464 7.433 1.00 0.67 H new ATOM 0 HB2 ALA A 26 -2.910 -6.545 6.562 1.00 0.67 H new ATOM 0 HB3 ALA A 26 -4.013 -5.708 7.681 1.00 0.67 H new ATOM 383 N LYS A 27 -7.183 -5.324 6.257 1.00 0.72 N ATOM 384 CA LYS A 27 -8.640 -5.369 6.463 1.00 0.78 C ATOM 385 C LYS A 27 -9.476 -5.542 5.173 1.00 0.64 C ATOM 386 O LYS A 27 -10.672 -5.811 5.261 1.00 0.66 O ATOM 387 CB LYS A 27 -9.078 -4.070 7.143 1.00 1.06 C ATOM 388 CG LYS A 27 -8.341 -3.807 8.462 1.00 1.46 C ATOM 389 CD LYS A 27 -9.038 -2.676 9.224 1.00 2.51 C ATOM 390 CE LYS A 27 -8.062 -1.539 9.552 1.00 3.04 C ATOM 391 NZ LYS A 27 -8.766 -0.417 10.221 1.00 4.10 N ATOM 0 H LYS A 27 -6.830 -4.380 6.100 1.00 0.72 H new ATOM 0 HA LYS A 27 -8.828 -6.253 7.073 1.00 0.78 H new ATOM 0 HB2 LYS A 27 -8.906 -3.235 6.464 1.00 1.06 H new ATOM 0 HB3 LYS A 27 -10.150 -4.110 7.334 1.00 1.06 H new ATOM 0 HG2 LYS A 27 -8.326 -4.712 9.069 1.00 1.46 H new ATOM 0 HG3 LYS A 27 -7.303 -3.539 8.263 1.00 1.46 H new ATOM 0 HD2 LYS A 27 -9.864 -2.288 8.628 1.00 2.51 H new ATOM 0 HD3 LYS A 27 -9.467 -3.067 10.147 1.00 2.51 H new ATOM 0 HE2 LYS A 27 -7.266 -1.911 10.197 1.00 3.04 H new ATOM 0 HE3 LYS A 27 -7.590 -1.184 8.636 1.00 3.04 H new ATOM 0 HZ1 LYS A 27 -8.087 0.341 10.434 1.00 4.10 H new ATOM 0 HZ2 LYS A 27 -9.509 -0.050 9.593 1.00 4.10 H new ATOM 0 HZ3 LYS A 27 -9.196 -0.755 11.106 1.00 4.10 H new ATOM 405 N VAL A 28 -8.901 -5.307 3.993 1.00 0.60 N ATOM 406 CA VAL A 28 -9.648 -5.171 2.728 1.00 0.66 C ATOM 407 C VAL A 28 -10.053 -6.544 2.193 1.00 0.69 C ATOM 408 O VAL A 28 -9.192 -7.426 2.107 1.00 0.63 O ATOM 409 CB VAL A 28 -8.844 -4.369 1.673 1.00 0.70 C ATOM 410 CG1 VAL A 28 -9.520 -4.316 0.291 1.00 1.02 C ATOM 411 CG2 VAL A 28 -8.659 -2.922 2.165 1.00 0.95 C ATOM 0 H VAL A 28 -7.893 -5.203 3.880 1.00 0.60 H new ATOM 0 HA VAL A 28 -10.556 -4.605 2.935 1.00 0.66 H new ATOM 0 HB VAL A 28 -7.893 -4.888 1.557 1.00 0.70 H new ATOM 0 HG11 VAL A 28 -8.900 -3.739 -0.395 1.00 1.02 H new ATOM 0 HG12 VAL A 28 -9.641 -5.329 -0.094 1.00 1.02 H new ATOM 0 HG13 VAL A 28 -10.498 -3.843 0.382 1.00 1.02 H new ATOM 0 HG21 VAL A 28 -8.094 -2.356 1.425 1.00 0.95 H new ATOM 0 HG22 VAL A 28 -9.635 -2.459 2.308 1.00 0.95 H new ATOM 0 HG23 VAL A 28 -8.117 -2.926 3.111 1.00 0.95 H new ATOM 421 N PRO A 29 -11.334 -6.750 1.823 1.00 0.88 N ATOM 422 CA PRO A 29 -11.769 -8.024 1.290 1.00 1.09 C ATOM 423 C PRO A 29 -11.056 -8.260 -0.041 1.00 1.29 C ATOM 424 O PRO A 29 -11.094 -7.411 -0.925 1.00 3.00 O ATOM 425 CB PRO A 29 -13.293 -7.941 1.151 1.00 1.30 C ATOM 426 CG PRO A 29 -13.555 -6.442 1.016 1.00 1.27 C ATOM 427 CD PRO A 29 -12.459 -5.824 1.881 1.00 1.01 C ATOM 0 HA PRO A 29 -11.523 -8.869 1.933 1.00 1.09 H new ATOM 0 HB2 PRO A 29 -13.648 -8.491 0.279 1.00 1.30 H new ATOM 0 HB3 PRO A 29 -13.799 -8.361 2.020 1.00 1.30 H new ATOM 0 HG2 PRO A 29 -13.486 -6.112 -0.020 1.00 1.27 H new ATOM 0 HG3 PRO A 29 -14.550 -6.172 1.371 1.00 1.27 H new ATOM 0 HD2 PRO A 29 -12.175 -4.840 1.507 1.00 1.01 H new ATOM 0 HD3 PRO A 29 -12.801 -5.689 2.907 1.00 1.01 H new ATOM 435 N GLY A 30 -10.344 -9.385 -0.161 1.00 1.06 N ATOM 436 CA GLY A 30 -9.511 -9.675 -1.336 1.00 0.96 C ATOM 437 C GLY A 30 -8.052 -9.220 -1.231 1.00 0.62 C ATOM 438 O GLY A 30 -7.314 -9.385 -2.200 1.00 0.69 O ATOM 0 H GLY A 30 -10.327 -10.118 0.549 1.00 1.06 H new ATOM 0 HA2 GLY A 30 -9.527 -10.750 -1.516 1.00 0.96 H new ATOM 0 HA3 GLY A 30 -9.961 -9.199 -2.207 1.00 0.96 H new ATOM 442 N VAL A 31 -7.601 -8.713 -0.077 1.00 0.53 N ATOM 443 CA VAL A 31 -6.169 -8.716 0.278 1.00 0.48 C ATOM 444 C VAL A 31 -5.642 -10.155 0.223 1.00 0.52 C ATOM 445 O VAL A 31 -6.096 -11.031 0.956 1.00 0.70 O ATOM 446 CB VAL A 31 -5.882 -8.020 1.631 1.00 0.54 C ATOM 447 CG1 VAL A 31 -6.402 -8.761 2.876 1.00 0.88 C ATOM 448 CG2 VAL A 31 -4.371 -7.774 1.783 1.00 0.76 C ATOM 0 H VAL A 31 -8.205 -8.294 0.630 1.00 0.53 H new ATOM 0 HA VAL A 31 -5.627 -8.119 -0.455 1.00 0.48 H new ATOM 0 HB VAL A 31 -6.439 -7.084 1.590 1.00 0.54 H new ATOM 0 HG11 VAL A 31 -6.150 -8.191 3.770 1.00 0.88 H new ATOM 0 HG12 VAL A 31 -7.484 -8.871 2.809 1.00 0.88 H new ATOM 0 HG13 VAL A 31 -5.940 -9.747 2.932 1.00 0.88 H new ATOM 0 HG21 VAL A 31 -4.176 -7.284 2.737 1.00 0.76 H new ATOM 0 HG22 VAL A 31 -3.842 -8.727 1.750 1.00 0.76 H new ATOM 0 HG23 VAL A 31 -4.023 -7.137 0.970 1.00 0.76 H new ATOM 458 N GLN A 32 -4.717 -10.402 -0.705 1.00 0.51 N ATOM 459 CA GLN A 32 -4.066 -11.709 -0.893 1.00 0.58 C ATOM 460 C GLN A 32 -2.537 -11.640 -0.762 1.00 0.68 C ATOM 461 O GLN A 32 -1.883 -12.667 -0.891 1.00 1.04 O ATOM 462 CB GLN A 32 -4.559 -12.376 -2.192 1.00 0.78 C ATOM 463 CG GLN A 32 -4.190 -11.619 -3.476 1.00 0.88 C ATOM 464 CD GLN A 32 -3.066 -12.239 -4.310 1.00 1.29 C ATOM 465 OE1 GLN A 32 -3.151 -12.308 -5.523 1.00 1.80 O ATOM 466 NE2 GLN A 32 -1.963 -12.665 -3.736 1.00 1.40 N ATOM 0 H GLN A 32 -4.390 -9.692 -1.360 1.00 0.51 H new ATOM 0 HA GLN A 32 -4.370 -12.360 -0.073 1.00 0.58 H new ATOM 0 HB2 GLN A 32 -4.146 -13.383 -2.248 1.00 0.78 H new ATOM 0 HB3 GLN A 32 -5.643 -12.478 -2.144 1.00 0.78 H new ATOM 0 HG2 GLN A 32 -5.081 -11.542 -4.100 1.00 0.88 H new ATOM 0 HG3 GLN A 32 -3.900 -10.603 -3.207 1.00 0.88 H new ATOM 0 HE21 GLN A 32 -1.865 -12.619 -2.722 1.00 1.40 H new ATOM 0 HE22 GLN A 32 -1.205 -13.042 -4.305 1.00 1.40 H new ATOM 475 N SER A 33 -1.981 -10.459 -0.475 1.00 0.55 N ATOM 476 CA SER A 33 -0.875 -10.218 0.482 1.00 0.74 C ATOM 477 C SER A 33 -0.097 -8.940 0.165 1.00 0.54 C ATOM 478 O SER A 33 0.199 -8.658 -0.994 1.00 0.94 O ATOM 479 CB SER A 33 0.110 -11.384 0.694 1.00 1.45 C ATOM 480 OG SER A 33 1.004 -11.099 1.762 1.00 2.43 O ATOM 0 H SER A 33 -2.299 -9.598 -0.920 1.00 0.55 H new ATOM 0 HA SER A 33 -1.406 -10.107 1.427 1.00 0.74 H new ATOM 0 HB2 SER A 33 -0.442 -12.299 0.910 1.00 1.45 H new ATOM 0 HB3 SER A 33 0.674 -11.561 -0.222 1.00 1.45 H new ATOM 0 HG SER A 33 1.620 -11.851 1.882 1.00 2.43 H new ATOM 486 N CYS A 34 0.280 -8.201 1.212 1.00 0.62 N ATOM 487 CA CYS A 34 1.132 -7.016 1.133 1.00 0.48 C ATOM 488 C CYS A 34 2.626 -7.398 1.122 1.00 0.51 C ATOM 489 O CYS A 34 2.966 -8.546 1.437 1.00 1.02 O ATOM 490 CB CYS A 34 0.788 -6.108 2.332 1.00 0.75 C ATOM 491 SG CYS A 34 -1.012 -5.903 2.554 1.00 1.08 S ATOM 0 H CYS A 34 -0.009 -8.419 2.166 1.00 0.62 H new ATOM 0 HA CYS A 34 0.947 -6.484 0.200 1.00 0.48 H new ATOM 0 HB2 CYS A 34 1.218 -6.531 3.240 1.00 0.75 H new ATOM 0 HB3 CYS A 34 1.247 -5.130 2.188 1.00 0.75 H new ATOM 0 HG CYS A 34 -1.245 -5.320 3.692 1.00 1.08 H new ATOM 497 N GLN A 35 3.475 -6.425 0.772 1.00 0.38 N ATOM 498 CA GLN A 35 4.932 -6.363 0.923 1.00 0.44 C ATOM 499 C GLN A 35 5.430 -5.003 0.404 1.00 0.48 C ATOM 500 O GLN A 35 5.217 -4.679 -0.764 1.00 0.58 O ATOM 501 CB GLN A 35 5.621 -7.522 0.176 1.00 0.51 C ATOM 502 CG GLN A 35 6.077 -8.638 1.128 1.00 1.02 C ATOM 503 CD GLN A 35 6.008 -10.011 0.465 1.00 1.63 C ATOM 504 OE1 GLN A 35 6.997 -10.645 0.139 1.00 2.60 O ATOM 505 NE2 GLN A 35 4.817 -10.504 0.223 1.00 1.71 N ATOM 0 H GLN A 35 3.122 -5.576 0.331 1.00 0.38 H new ATOM 0 HA GLN A 35 5.186 -6.465 1.978 1.00 0.44 H new ATOM 0 HB2 GLN A 35 4.934 -7.935 -0.562 1.00 0.51 H new ATOM 0 HB3 GLN A 35 6.483 -7.138 -0.370 1.00 0.51 H new ATOM 0 HG2 GLN A 35 7.099 -8.443 1.454 1.00 1.02 H new ATOM 0 HG3 GLN A 35 5.451 -8.633 2.020 1.00 1.02 H new ATOM 0 HE21 GLN A 35 3.984 -9.981 0.492 1.00 1.71 H new ATOM 0 HE22 GLN A 35 4.724 -11.411 -0.234 1.00 1.71 H new ATOM 514 N VAL A 36 6.092 -4.216 1.254 1.00 0.49 N ATOM 515 CA VAL A 36 6.778 -2.956 0.909 1.00 0.54 C ATOM 516 C VAL A 36 8.272 -2.972 1.290 1.00 0.56 C ATOM 517 O VAL A 36 8.713 -3.805 2.081 1.00 0.86 O ATOM 518 CB VAL A 36 6.075 -1.729 1.538 1.00 0.69 C ATOM 519 CG1 VAL A 36 4.564 -1.704 1.254 1.00 2.34 C ATOM 520 CG2 VAL A 36 6.308 -1.652 3.052 1.00 2.03 C ATOM 0 H VAL A 36 6.172 -4.443 2.245 1.00 0.49 H new ATOM 0 HA VAL A 36 6.717 -2.869 -0.176 1.00 0.54 H new ATOM 0 HB VAL A 36 6.527 -0.858 1.063 1.00 0.69 H new ATOM 0 HG11 VAL A 36 4.121 -0.823 1.718 1.00 2.34 H new ATOM 0 HG12 VAL A 36 4.397 -1.670 0.177 1.00 2.34 H new ATOM 0 HG13 VAL A 36 4.102 -2.601 1.665 1.00 2.34 H new ATOM 0 HG21 VAL A 36 5.798 -0.777 3.455 1.00 2.03 H new ATOM 0 HG22 VAL A 36 5.915 -2.551 3.527 1.00 2.03 H new ATOM 0 HG23 VAL A 36 7.377 -1.573 3.252 1.00 2.03 H new ATOM 530 N ASN A 37 9.052 -2.043 0.724 1.00 0.53 N ATOM 531 CA ASN A 37 10.516 -2.060 0.745 1.00 0.59 C ATOM 532 C ASN A 37 11.119 -0.656 0.957 1.00 0.75 C ATOM 533 O ASN A 37 11.341 0.094 0.005 1.00 0.80 O ATOM 534 CB ASN A 37 10.980 -2.676 -0.586 1.00 0.58 C ATOM 535 CG ASN A 37 12.479 -2.942 -0.670 1.00 0.89 C ATOM 536 OD1 ASN A 37 13.309 -2.221 -0.127 1.00 0.89 O ATOM 537 ND2 ASN A 37 12.866 -3.979 -1.388 1.00 1.47 N ATOM 0 H ASN A 37 8.670 -1.239 0.226 1.00 0.53 H new ATOM 0 HA ASN A 37 10.866 -2.653 1.590 1.00 0.59 H new ATOM 0 HB2 ASN A 37 10.448 -3.614 -0.743 1.00 0.58 H new ATOM 0 HB3 ASN A 37 10.696 -2.009 -1.400 1.00 0.58 H new ATOM 0 HD21 ASN A 37 13.860 -4.184 -1.493 1.00 1.47 H new ATOM 0 HD22 ASN A 37 12.172 -4.576 -1.838 1.00 1.47 H new ATOM 544 N PHE A 38 11.487 -0.327 2.203 1.00 0.94 N ATOM 545 CA PHE A 38 12.049 0.982 2.590 1.00 1.18 C ATOM 546 C PHE A 38 13.521 1.190 2.214 1.00 1.26 C ATOM 547 O PHE A 38 14.223 1.937 2.894 1.00 1.61 O ATOM 548 CB PHE A 38 11.836 1.230 4.093 1.00 1.46 C ATOM 549 CG PHE A 38 10.439 0.942 4.575 1.00 1.37 C ATOM 550 CD1 PHE A 38 9.341 1.357 3.802 1.00 2.67 C ATOM 551 CD2 PHE A 38 10.242 0.174 5.735 1.00 2.57 C ATOM 552 CE1 PHE A 38 8.053 0.957 4.161 1.00 4.20 C ATOM 553 CE2 PHE A 38 8.944 -0.206 6.106 1.00 4.21 C ATOM 554 CZ PHE A 38 7.847 0.180 5.317 1.00 4.85 C ATOM 0 H PHE A 38 11.402 -0.973 2.988 1.00 0.94 H new ATOM 0 HA PHE A 38 11.499 1.718 2.004 1.00 1.18 H new ATOM 0 HB2 PHE A 38 12.537 0.612 4.654 1.00 1.46 H new ATOM 0 HB3 PHE A 38 12.078 2.269 4.316 1.00 1.46 H new ATOM 0 HD1 PHE A 38 9.493 1.982 2.935 1.00 2.67 H new ATOM 0 HD2 PHE A 38 11.087 -0.123 6.339 1.00 2.57 H new ATOM 0 HE1 PHE A 38 7.211 1.245 3.549 1.00 4.20 H new ATOM 0 HE2 PHE A 38 8.788 -0.795 6.998 1.00 4.21 H new ATOM 0 HZ PHE A 38 6.848 -0.119 5.597 1.00 4.85 H new ATOM 564 N ALA A 39 14.005 0.524 1.163 1.00 1.12 N ATOM 565 CA ALA A 39 15.350 0.746 0.653 1.00 1.21 C ATOM 566 C ALA A 39 15.365 0.883 -0.873 1.00 1.23 C ATOM 567 O ALA A 39 16.172 1.632 -1.414 1.00 1.48 O ATOM 568 CB ALA A 39 16.251 -0.399 1.135 1.00 1.17 C ATOM 0 H ALA A 39 13.475 -0.179 0.648 1.00 1.12 H new ATOM 0 HA ALA A 39 15.732 1.691 1.040 1.00 1.21 H new ATOM 0 HB1 ALA A 39 17.264 -0.247 0.761 1.00 1.17 H new ATOM 0 HB2 ALA A 39 16.266 -0.416 2.225 1.00 1.17 H new ATOM 0 HB3 ALA A 39 15.865 -1.348 0.762 1.00 1.17 H new ATOM 574 N LEU A 40 14.449 0.198 -1.571 1.00 1.03 N ATOM 575 CA LEU A 40 14.308 0.195 -3.010 1.00 1.06 C ATOM 576 C LEU A 40 12.863 0.621 -3.406 1.00 1.01 C ATOM 577 O LEU A 40 12.325 0.239 -4.441 1.00 1.10 O ATOM 578 CB LEU A 40 14.841 -1.206 -3.392 1.00 1.03 C ATOM 579 CG LEU A 40 14.494 -1.732 -4.773 1.00 1.07 C ATOM 580 CD1 LEU A 40 14.991 -0.831 -5.914 1.00 1.16 C ATOM 581 CD2 LEU A 40 15.032 -3.159 -4.957 1.00 1.09 C ATOM 0 H LEU A 40 13.758 -0.395 -1.112 1.00 1.03 H new ATOM 0 HA LEU A 40 14.873 0.928 -3.585 1.00 1.06 H new ATOM 0 HB2 LEU A 40 15.927 -1.190 -3.301 1.00 1.03 H new ATOM 0 HB3 LEU A 40 14.470 -1.920 -2.657 1.00 1.03 H new ATOM 0 HG LEU A 40 13.406 -1.737 -4.830 1.00 1.07 H new ATOM 0 HD11 LEU A 40 14.708 -1.268 -6.872 1.00 1.16 H new ATOM 0 HD12 LEU A 40 14.542 0.158 -5.819 1.00 1.16 H new ATOM 0 HD13 LEU A 40 16.076 -0.743 -5.862 1.00 1.16 H new ATOM 0 HD21 LEU A 40 14.774 -3.520 -5.953 1.00 1.09 H new ATOM 0 HD22 LEU A 40 16.116 -3.157 -4.842 1.00 1.09 H new ATOM 0 HD23 LEU A 40 14.589 -3.814 -4.207 1.00 1.09 H new ATOM 593 N GLU A 41 12.217 1.411 -2.541 1.00 1.00 N ATOM 594 CA GLU A 41 10.976 2.178 -2.748 1.00 1.00 C ATOM 595 C GLU A 41 9.689 1.372 -2.995 1.00 0.69 C ATOM 596 O GLU A 41 8.612 1.960 -2.893 1.00 0.61 O ATOM 597 CB GLU A 41 11.122 3.201 -3.893 1.00 1.29 C ATOM 598 CG GLU A 41 11.969 4.432 -3.550 1.00 1.52 C ATOM 599 CD GLU A 41 11.862 5.520 -4.628 1.00 1.89 C ATOM 600 OE1 GLU A 41 10.798 5.591 -5.294 1.00 2.37 O ATOM 601 OE2 GLU A 41 12.851 6.263 -4.803 1.00 2.69 O ATOM 0 H GLU A 41 12.577 1.544 -1.596 1.00 1.00 H new ATOM 0 HA GLU A 41 10.849 2.662 -1.780 1.00 1.00 H new ATOM 0 HB2 GLU A 41 11.565 2.701 -4.754 1.00 1.29 H new ATOM 0 HB3 GLU A 41 10.128 3.533 -4.194 1.00 1.29 H new ATOM 0 HG2 GLU A 41 11.647 4.838 -2.591 1.00 1.52 H new ATOM 0 HG3 GLU A 41 13.012 4.135 -3.436 1.00 1.52 H new ATOM 608 N GLN A 42 9.728 0.091 -3.382 1.00 0.61 N ATOM 609 CA GLN A 42 8.495 -0.527 -3.875 1.00 0.46 C ATOM 610 C GLN A 42 7.470 -0.827 -2.779 1.00 0.41 C ATOM 611 O GLN A 42 7.788 -1.051 -1.612 1.00 0.44 O ATOM 612 CB GLN A 42 8.668 -1.764 -4.778 1.00 0.47 C ATOM 613 CG GLN A 42 8.883 -3.136 -4.077 1.00 0.58 C ATOM 614 CD GLN A 42 10.331 -3.553 -3.856 1.00 0.42 C ATOM 615 OE1 GLN A 42 10.640 -4.505 -3.162 1.00 1.04 O ATOM 616 NE2 GLN A 42 11.303 -2.893 -4.432 1.00 0.79 N ATOM 0 H GLN A 42 10.552 -0.509 -3.366 1.00 0.61 H new ATOM 0 HA GLN A 42 8.105 0.264 -4.515 1.00 0.46 H new ATOM 0 HB2 GLN A 42 7.785 -1.844 -5.412 1.00 0.47 H new ATOM 0 HB3 GLN A 42 9.518 -1.585 -5.436 1.00 0.47 H new ATOM 0 HG2 GLN A 42 8.382 -3.110 -3.110 1.00 0.58 H new ATOM 0 HG3 GLN A 42 8.390 -3.906 -4.671 1.00 0.58 H new ATOM 0 HE21 GLN A 42 11.093 -2.088 -5.023 1.00 0.79 H new ATOM 0 HE22 GLN A 42 12.271 -3.183 -4.290 1.00 0.79 H new ATOM 625 N ALA A 43 6.248 -0.995 -3.258 1.00 0.44 N ATOM 626 CA ALA A 43 5.184 -1.786 -2.669 1.00 0.41 C ATOM 627 C ALA A 43 4.691 -2.798 -3.710 1.00 0.50 C ATOM 628 O ALA A 43 4.669 -2.496 -4.905 1.00 0.76 O ATOM 629 CB ALA A 43 4.071 -0.828 -2.231 1.00 0.51 C ATOM 0 H ALA A 43 5.955 -0.551 -4.128 1.00 0.44 H new ATOM 0 HA ALA A 43 5.527 -2.343 -1.797 1.00 0.41 H new ATOM 0 HB1 ALA A 43 3.256 -1.397 -1.784 1.00 0.51 H new ATOM 0 HB2 ALA A 43 4.465 -0.122 -1.500 1.00 0.51 H new ATOM 0 HB3 ALA A 43 3.699 -0.282 -3.098 1.00 0.51 H new ATOM 635 N VAL A 44 4.279 -3.979 -3.257 1.00 0.40 N ATOM 636 CA VAL A 44 3.462 -4.914 -4.038 1.00 0.39 C ATOM 637 C VAL A 44 2.255 -5.377 -3.224 1.00 0.40 C ATOM 638 O VAL A 44 2.398 -5.776 -2.067 1.00 0.45 O ATOM 639 CB VAL A 44 4.289 -6.101 -4.592 1.00 0.44 C ATOM 640 CG1 VAL A 44 4.931 -6.995 -3.517 1.00 0.49 C ATOM 641 CG2 VAL A 44 3.449 -6.967 -5.545 1.00 0.50 C ATOM 0 H VAL A 44 4.505 -4.322 -2.323 1.00 0.40 H new ATOM 0 HA VAL A 44 3.090 -4.380 -4.913 1.00 0.39 H new ATOM 0 HB VAL A 44 5.111 -5.632 -5.133 1.00 0.44 H new ATOM 0 HG11 VAL A 44 5.489 -7.798 -3.998 1.00 0.49 H new ATOM 0 HG12 VAL A 44 5.608 -6.399 -2.905 1.00 0.49 H new ATOM 0 HG13 VAL A 44 4.152 -7.422 -2.886 1.00 0.49 H new ATOM 0 HG21 VAL A 44 4.056 -7.792 -5.918 1.00 0.50 H new ATOM 0 HG22 VAL A 44 2.586 -7.364 -5.010 1.00 0.50 H new ATOM 0 HG23 VAL A 44 3.108 -6.360 -6.384 1.00 0.50 H new ATOM 651 N VAL A 45 1.060 -5.321 -3.828 1.00 0.54 N ATOM 652 CA VAL A 45 -0.168 -5.863 -3.216 1.00 0.54 C ATOM 653 C VAL A 45 -1.187 -6.255 -4.289 1.00 0.53 C ATOM 654 O VAL A 45 -1.445 -5.480 -5.208 1.00 0.56 O ATOM 655 CB VAL A 45 -0.877 -4.894 -2.221 1.00 0.56 C ATOM 656 CG1 VAL A 45 -1.699 -5.705 -1.212 1.00 0.86 C ATOM 657 CG2 VAL A 45 0.009 -3.919 -1.422 1.00 0.91 C ATOM 0 H VAL A 45 0.914 -4.903 -4.747 1.00 0.54 H new ATOM 0 HA VAL A 45 0.173 -6.730 -2.651 1.00 0.54 H new ATOM 0 HB VAL A 45 -1.478 -4.264 -2.877 1.00 0.56 H new ATOM 0 HG11 VAL A 45 -2.194 -5.027 -0.517 1.00 0.86 H new ATOM 0 HG12 VAL A 45 -2.449 -6.292 -1.742 1.00 0.86 H new ATOM 0 HG13 VAL A 45 -1.039 -6.373 -0.659 1.00 0.86 H new ATOM 0 HG21 VAL A 45 -0.617 -3.308 -0.772 1.00 0.91 H new ATOM 0 HG22 VAL A 45 0.718 -4.484 -0.817 1.00 0.91 H new ATOM 0 HG23 VAL A 45 0.554 -3.274 -2.111 1.00 0.91 H new ATOM 667 N SER A 46 -1.844 -7.407 -4.117 1.00 0.57 N ATOM 668 CA SER A 46 -3.216 -7.604 -4.626 1.00 0.61 C ATOM 669 C SER A 46 -4.211 -7.530 -3.469 1.00 0.53 C ATOM 670 O SER A 46 -4.063 -8.214 -2.454 1.00 0.53 O ATOM 671 CB SER A 46 -3.390 -8.915 -5.399 1.00 0.97 C ATOM 672 OG SER A 46 -4.758 -9.270 -5.566 1.00 1.77 O ATOM 0 H SER A 46 -1.455 -8.216 -3.633 1.00 0.57 H new ATOM 0 HA SER A 46 -3.412 -6.802 -5.337 1.00 0.61 H new ATOM 0 HB2 SER A 46 -2.920 -8.821 -6.378 1.00 0.97 H new ATOM 0 HB3 SER A 46 -2.872 -9.716 -4.872 1.00 0.97 H new ATOM 0 HG SER A 46 -4.819 -10.111 -6.065 1.00 1.77 H new ATOM 678 N TYR A 47 -5.230 -6.693 -3.657 1.00 0.69 N ATOM 679 CA TYR A 47 -6.018 -6.080 -2.584 1.00 0.84 C ATOM 680 C TYR A 47 -7.421 -5.654 -3.027 1.00 1.10 C ATOM 681 O TYR A 47 -7.886 -4.553 -2.750 1.00 1.68 O ATOM 682 CB TYR A 47 -5.214 -4.985 -1.849 1.00 1.03 C ATOM 683 CG TYR A 47 -4.523 -3.818 -2.577 1.00 1.08 C ATOM 684 CD1 TYR A 47 -4.034 -3.859 -3.906 1.00 1.58 C ATOM 685 CD2 TYR A 47 -4.238 -2.676 -1.805 1.00 1.79 C ATOM 686 CE1 TYR A 47 -3.278 -2.790 -4.430 1.00 1.72 C ATOM 687 CE2 TYR A 47 -3.464 -1.616 -2.305 1.00 1.90 C ATOM 688 CZ TYR A 47 -2.981 -1.668 -3.628 1.00 1.44 C ATOM 689 OH TYR A 47 -2.273 -0.626 -4.138 1.00 1.67 O ATOM 0 H TYR A 47 -5.541 -6.413 -4.587 1.00 0.69 H new ATOM 0 HA TYR A 47 -6.212 -6.854 -1.842 1.00 0.84 H new ATOM 0 HB2 TYR A 47 -5.893 -4.538 -1.123 1.00 1.03 H new ATOM 0 HB3 TYR A 47 -4.437 -5.499 -1.283 1.00 1.03 H new ATOM 0 HD1 TYR A 47 -4.243 -4.719 -4.525 1.00 1.58 H new ATOM 0 HD2 TYR A 47 -4.626 -2.613 -0.799 1.00 1.79 H new ATOM 0 HE1 TYR A 47 -2.925 -2.830 -5.450 1.00 1.72 H new ATOM 0 HE2 TYR A 47 -3.240 -0.765 -1.679 1.00 1.90 H new ATOM 0 HH TYR A 47 -2.161 0.062 -3.449 1.00 1.67 H new ATOM 699 N HIS A 48 -8.092 -6.548 -3.753 1.00 0.99 N ATOM 700 CA HIS A 48 -9.357 -6.267 -4.422 1.00 1.22 C ATOM 701 C HIS A 48 -10.274 -7.504 -4.433 1.00 1.49 C ATOM 702 O HIS A 48 -9.901 -8.537 -4.997 1.00 1.65 O ATOM 703 CB HIS A 48 -9.035 -5.829 -5.860 1.00 1.25 C ATOM 704 CG HIS A 48 -7.930 -4.827 -6.032 1.00 1.18 C ATOM 705 ND1 HIS A 48 -8.033 -3.442 -5.913 1.00 1.10 N ATOM 706 CD2 HIS A 48 -6.649 -5.160 -6.351 1.00 1.35 C ATOM 707 CE1 HIS A 48 -6.797 -2.975 -6.138 1.00 1.18 C ATOM 708 NE2 HIS A 48 -5.952 -3.978 -6.429 1.00 1.42 N ATOM 0 H HIS A 48 -7.764 -7.504 -3.894 1.00 0.99 H new ATOM 0 HA HIS A 48 -9.889 -5.481 -3.887 1.00 1.22 H new ATOM 0 HB2 HIS A 48 -8.780 -6.718 -6.437 1.00 1.25 H new ATOM 0 HB3 HIS A 48 -9.942 -5.413 -6.299 1.00 1.25 H new ATOM 0 HD1 HIS A 48 -8.870 -2.900 -5.700 1.00 1.10 H new ATOM 0 HD2 HIS A 48 -6.259 -6.154 -6.511 1.00 1.35 H new ATOM 0 HE1 HIS A 48 -6.518 -1.933 -6.092 1.00 1.18 H new ATOM 716 N GLY A 49 -11.483 -7.393 -3.874 1.00 1.88 N ATOM 717 CA GLY A 49 -12.484 -8.467 -3.800 1.00 2.40 C ATOM 718 C GLY A 49 -13.239 -8.647 -5.116 1.00 1.86 C ATOM 719 O GLY A 49 -12.633 -8.831 -6.171 1.00 2.27 O ATOM 0 H GLY A 49 -11.805 -6.525 -3.446 1.00 1.88 H new ATOM 0 HA2 GLY A 49 -11.991 -9.403 -3.535 1.00 2.40 H new ATOM 0 HA3 GLY A 49 -13.194 -8.245 -3.004 1.00 2.40 H new ATOM 723 N GLU A 50 -14.566 -8.614 -5.051 1.00 2.16 N ATOM 724 CA GLU A 50 -15.457 -8.568 -6.217 1.00 2.17 C ATOM 725 C GLU A 50 -15.157 -7.362 -7.131 1.00 2.12 C ATOM 726 O GLU A 50 -15.060 -7.519 -8.351 1.00 2.92 O ATOM 727 CB GLU A 50 -16.926 -8.618 -5.734 1.00 2.69 C ATOM 728 CG GLU A 50 -17.482 -7.401 -4.962 1.00 3.21 C ATOM 729 CD GLU A 50 -16.553 -6.896 -3.855 1.00 3.64 C ATOM 730 OE1 GLU A 50 -16.183 -7.719 -2.991 1.00 4.33 O ATOM 731 OE2 GLU A 50 -16.047 -5.759 -3.993 1.00 4.17 O ATOM 0 H GLU A 50 -15.070 -8.618 -4.164 1.00 2.16 H new ATOM 0 HA GLU A 50 -15.277 -9.442 -6.843 1.00 2.17 H new ATOM 0 HB2 GLU A 50 -17.559 -8.776 -6.608 1.00 2.69 H new ATOM 0 HB3 GLU A 50 -17.038 -9.496 -5.097 1.00 2.69 H new ATOM 0 HG2 GLU A 50 -17.668 -6.590 -5.666 1.00 3.21 H new ATOM 0 HG3 GLU A 50 -18.443 -7.669 -4.523 1.00 3.21 H new ATOM 738 N THR A 51 -14.937 -6.181 -6.542 1.00 1.94 N ATOM 739 CA THR A 51 -14.543 -4.935 -7.214 1.00 2.16 C ATOM 740 C THR A 51 -13.023 -4.832 -7.386 1.00 2.52 C ATOM 741 O THR A 51 -12.261 -5.710 -6.972 1.00 3.62 O ATOM 742 CB THR A 51 -15.093 -3.720 -6.437 1.00 2.67 C ATOM 743 OG1 THR A 51 -14.701 -3.769 -5.086 1.00 3.90 O ATOM 744 CG2 THR A 51 -16.613 -3.602 -6.509 1.00 3.41 C ATOM 0 H THR A 51 -15.033 -6.061 -5.534 1.00 1.94 H new ATOM 0 HA THR A 51 -14.976 -4.943 -8.214 1.00 2.16 H new ATOM 0 HB THR A 51 -14.667 -2.841 -6.920 1.00 2.67 H new ATOM 0 HG1 THR A 51 -15.406 -4.197 -4.556 1.00 3.90 H new ATOM 0 HG21 THR A 51 -16.937 -2.729 -5.943 1.00 3.41 H new ATOM 0 HG22 THR A 51 -16.921 -3.495 -7.549 1.00 3.41 H new ATOM 0 HG23 THR A 51 -17.068 -4.498 -6.086 1.00 3.41 H new ATOM 752 N THR A 52 -12.588 -3.709 -7.972 1.00 2.49 N ATOM 753 CA THR A 52 -11.240 -3.130 -7.862 1.00 2.89 C ATOM 754 C THR A 52 -11.386 -1.795 -7.113 1.00 1.77 C ATOM 755 O THR A 52 -11.592 -0.766 -7.763 1.00 2.14 O ATOM 756 CB THR A 52 -10.601 -2.969 -9.250 1.00 4.32 C ATOM 757 OG1 THR A 52 -10.546 -4.237 -9.868 1.00 5.52 O ATOM 758 CG2 THR A 52 -9.163 -2.454 -9.172 1.00 5.10 C ATOM 0 H THR A 52 -13.198 -3.149 -8.567 1.00 2.49 H new ATOM 0 HA THR A 52 -10.568 -3.784 -7.307 1.00 2.89 H new ATOM 0 HB THR A 52 -11.207 -2.253 -9.805 1.00 4.32 H new ATOM 0 HG1 THR A 52 -10.142 -4.151 -10.757 1.00 5.52 H new ATOM 0 HG21 THR A 52 -8.756 -2.357 -10.179 1.00 5.10 H new ATOM 0 HG22 THR A 52 -9.151 -1.481 -8.681 1.00 5.10 H new ATOM 0 HG23 THR A 52 -8.556 -3.156 -8.601 1.00 5.10 H new ATOM 766 N PRO A 53 -11.402 -1.793 -5.763 1.00 1.68 N ATOM 767 CA PRO A 53 -11.742 -0.609 -4.982 1.00 1.96 C ATOM 768 C PRO A 53 -10.556 0.354 -4.868 1.00 1.52 C ATOM 769 O PRO A 53 -9.449 -0.041 -4.512 1.00 1.53 O ATOM 770 CB PRO A 53 -12.185 -1.143 -3.615 1.00 3.45 C ATOM 771 CG PRO A 53 -11.380 -2.432 -3.457 1.00 3.87 C ATOM 772 CD PRO A 53 -11.305 -2.957 -4.888 1.00 2.92 C ATOM 0 HA PRO A 53 -12.531 -0.025 -5.455 1.00 1.96 H new ATOM 0 HB2 PRO A 53 -11.967 -0.433 -2.817 1.00 3.45 H new ATOM 0 HB3 PRO A 53 -13.258 -1.334 -3.587 1.00 3.45 H new ATOM 0 HG2 PRO A 53 -10.390 -2.243 -3.042 1.00 3.87 H new ATOM 0 HG3 PRO A 53 -11.875 -3.139 -2.791 1.00 3.87 H new ATOM 0 HD2 PRO A 53 -10.370 -3.492 -5.056 1.00 2.92 H new ATOM 0 HD3 PRO A 53 -12.114 -3.660 -5.086 1.00 2.92 H new ATOM 780 N GLN A 54 -10.798 1.652 -5.081 1.00 1.36 N ATOM 781 CA GLN A 54 -9.775 2.703 -4.951 1.00 1.17 C ATOM 782 C GLN A 54 -9.270 2.932 -3.513 1.00 0.91 C ATOM 783 O GLN A 54 -8.373 3.744 -3.301 1.00 0.90 O ATOM 784 CB GLN A 54 -10.225 3.993 -5.653 1.00 1.50 C ATOM 785 CG GLN A 54 -11.402 4.717 -4.982 1.00 2.61 C ATOM 786 CD GLN A 54 -11.818 5.938 -5.800 1.00 2.95 C ATOM 787 OE1 GLN A 54 -11.569 7.075 -5.451 1.00 2.88 O ATOM 788 NE2 GLN A 54 -12.443 5.761 -6.945 1.00 4.33 N ATOM 0 H GLN A 54 -11.715 2.008 -5.351 1.00 1.36 H new ATOM 0 HA GLN A 54 -8.890 2.335 -5.471 1.00 1.17 H new ATOM 0 HB2 GLN A 54 -9.378 4.677 -5.703 1.00 1.50 H new ATOM 0 HB3 GLN A 54 -10.502 3.753 -6.679 1.00 1.50 H new ATOM 0 HG2 GLN A 54 -12.246 4.035 -4.882 1.00 2.61 H new ATOM 0 HG3 GLN A 54 -11.120 5.026 -3.975 1.00 2.61 H new ATOM 0 HE21 GLN A 54 -12.665 4.818 -7.264 1.00 4.33 H new ATOM 0 HE22 GLN A 54 -12.705 6.567 -7.513 1.00 4.33 H new ATOM 797 N ILE A 55 -9.755 2.149 -2.539 1.00 0.95 N ATOM 798 CA ILE A 55 -9.122 1.974 -1.215 1.00 0.93 C ATOM 799 C ILE A 55 -7.626 1.615 -1.340 1.00 0.86 C ATOM 800 O ILE A 55 -6.834 1.904 -0.441 1.00 0.89 O ATOM 801 CB ILE A 55 -9.904 0.925 -0.385 1.00 1.20 C ATOM 802 CG1 ILE A 55 -11.404 1.279 -0.227 1.00 1.44 C ATOM 803 CG2 ILE A 55 -9.277 0.705 1.005 1.00 1.30 C ATOM 804 CD1 ILE A 55 -11.702 2.630 0.439 1.00 2.24 C ATOM 0 H ILE A 55 -10.613 1.608 -2.647 1.00 0.95 H new ATOM 0 HA ILE A 55 -9.166 2.925 -0.685 1.00 0.93 H new ATOM 0 HB ILE A 55 -9.835 -0.002 -0.954 1.00 1.20 H new ATOM 0 HG12 ILE A 55 -11.866 1.271 -1.214 1.00 1.44 H new ATOM 0 HG13 ILE A 55 -11.885 0.493 0.356 1.00 1.44 H new ATOM 0 HG21 ILE A 55 -9.857 -0.038 1.552 1.00 1.30 H new ATOM 0 HG22 ILE A 55 -8.252 0.352 0.890 1.00 1.30 H new ATOM 0 HG23 ILE A 55 -9.278 1.645 1.557 1.00 1.30 H new ATOM 0 HD11 ILE A 55 -12.781 2.776 0.499 1.00 2.24 H new ATOM 0 HD12 ILE A 55 -11.278 2.642 1.443 1.00 2.24 H new ATOM 0 HD13 ILE A 55 -11.259 3.432 -0.151 1.00 2.24 H new ATOM 816 N LEU A 56 -7.224 1.064 -2.494 1.00 0.88 N ATOM 817 CA LEU A 56 -5.837 0.862 -2.922 1.00 0.92 C ATOM 818 C LEU A 56 -4.942 2.105 -2.758 1.00 0.81 C ATOM 819 O LEU A 56 -3.740 1.952 -2.534 1.00 0.95 O ATOM 820 CB LEU A 56 -5.861 0.328 -4.378 1.00 1.11 C ATOM 821 CG LEU A 56 -6.033 1.376 -5.508 1.00 1.13 C ATOM 822 CD1 LEU A 56 -4.682 1.914 -6.014 1.00 1.30 C ATOM 823 CD2 LEU A 56 -6.750 0.766 -6.724 1.00 1.44 C ATOM 0 H LEU A 56 -7.893 0.731 -3.188 1.00 0.88 H new ATOM 0 HA LEU A 56 -5.372 0.129 -2.263 1.00 0.92 H new ATOM 0 HB2 LEU A 56 -4.932 -0.213 -4.556 1.00 1.11 H new ATOM 0 HB3 LEU A 56 -6.672 -0.396 -4.460 1.00 1.11 H new ATOM 0 HG LEU A 56 -6.617 2.185 -5.071 1.00 1.13 H new ATOM 0 HD11 LEU A 56 -4.854 2.645 -6.804 1.00 1.30 H new ATOM 0 HD12 LEU A 56 -4.148 2.389 -5.191 1.00 1.30 H new ATOM 0 HD13 LEU A 56 -4.086 1.090 -6.405 1.00 1.30 H new ATOM 0 HD21 LEU A 56 -6.857 1.523 -7.501 1.00 1.44 H new ATOM 0 HD22 LEU A 56 -6.166 -0.069 -7.110 1.00 1.44 H new ATOM 0 HD23 LEU A 56 -7.736 0.411 -6.425 1.00 1.44 H new ATOM 835 N THR A 57 -5.516 3.307 -2.903 1.00 0.71 N ATOM 836 CA THR A 57 -4.846 4.604 -2.733 1.00 0.74 C ATOM 837 C THR A 57 -5.080 5.138 -1.328 1.00 0.65 C ATOM 838 O THR A 57 -4.109 5.446 -0.642 1.00 0.65 O ATOM 839 CB THR A 57 -5.346 5.593 -3.796 1.00 0.96 C ATOM 840 OG1 THR A 57 -5.122 5.030 -5.069 1.00 1.50 O ATOM 841 CG2 THR A 57 -4.602 6.926 -3.745 1.00 1.64 C ATOM 0 H THR A 57 -6.500 3.407 -3.152 1.00 0.71 H new ATOM 0 HA THR A 57 -3.772 4.475 -2.866 1.00 0.74 H new ATOM 0 HB THR A 57 -6.403 5.779 -3.603 1.00 0.96 H new ATOM 0 HG1 THR A 57 -5.438 5.649 -5.760 1.00 1.50 H new ATOM 0 HG21 THR A 57 -4.992 7.590 -4.516 1.00 1.64 H new ATOM 0 HG22 THR A 57 -4.743 7.384 -2.766 1.00 1.64 H new ATOM 0 HG23 THR A 57 -3.539 6.756 -3.917 1.00 1.64 H new ATOM 849 N ASP A 58 -6.343 5.173 -0.893 1.00 0.65 N ATOM 850 CA ASP A 58 -6.801 5.673 0.418 1.00 0.70 C ATOM 851 C ASP A 58 -5.895 5.217 1.575 1.00 0.63 C ATOM 852 O ASP A 58 -5.425 6.028 2.374 1.00 0.64 O ATOM 853 CB ASP A 58 -8.236 5.161 0.621 1.00 0.79 C ATOM 854 CG ASP A 58 -8.922 5.634 1.908 1.00 1.31 C ATOM 855 OD1 ASP A 58 -8.879 6.850 2.194 1.00 1.98 O ATOM 856 OD2 ASP A 58 -9.499 4.749 2.582 1.00 2.66 O ATOM 0 H ASP A 58 -7.115 4.839 -1.469 1.00 0.65 H new ATOM 0 HA ASP A 58 -6.762 6.762 0.423 1.00 0.70 H new ATOM 0 HB2 ASP A 58 -8.840 5.475 -0.230 1.00 0.79 H new ATOM 0 HB3 ASP A 58 -8.220 4.071 0.616 1.00 0.79 H new ATOM 861 N ALA A 59 -5.531 3.931 1.601 1.00 0.61 N ATOM 862 CA ALA A 59 -4.668 3.381 2.643 1.00 0.65 C ATOM 863 C ALA A 59 -3.193 3.823 2.604 1.00 0.66 C ATOM 864 O ALA A 59 -2.500 3.642 3.604 1.00 0.83 O ATOM 865 CB ALA A 59 -4.797 1.862 2.627 1.00 0.75 C ATOM 0 H ALA A 59 -5.826 3.248 0.903 1.00 0.61 H new ATOM 0 HA ALA A 59 -5.023 3.799 3.585 1.00 0.65 H new ATOM 0 HB1 ALA A 59 -4.158 1.434 3.400 1.00 0.75 H new ATOM 0 HB2 ALA A 59 -5.833 1.583 2.817 1.00 0.75 H new ATOM 0 HB3 ALA A 59 -4.492 1.481 1.652 1.00 0.75 H new ATOM 871 N VAL A 60 -2.717 4.410 1.504 1.00 0.55 N ATOM 872 CA VAL A 60 -1.405 5.090 1.413 1.00 0.53 C ATOM 873 C VAL A 60 -1.533 6.560 1.839 1.00 0.54 C ATOM 874 O VAL A 60 -0.659 7.061 2.547 1.00 0.60 O ATOM 875 CB VAL A 60 -0.775 4.967 -0.001 1.00 0.61 C ATOM 876 CG1 VAL A 60 0.670 5.495 -0.029 1.00 1.75 C ATOM 877 CG2 VAL A 60 -0.758 3.510 -0.504 1.00 1.87 C ATOM 0 H VAL A 60 -3.238 4.431 0.627 1.00 0.55 H new ATOM 0 HA VAL A 60 -0.726 4.586 2.101 1.00 0.53 H new ATOM 0 HB VAL A 60 -1.404 5.571 -0.655 1.00 0.61 H new ATOM 0 HG11 VAL A 60 1.076 5.392 -1.035 1.00 1.75 H new ATOM 0 HG12 VAL A 60 0.679 6.546 0.260 1.00 1.75 H new ATOM 0 HG13 VAL A 60 1.280 4.922 0.669 1.00 1.75 H new ATOM 0 HG21 VAL A 60 -0.309 3.473 -1.496 1.00 1.87 H new ATOM 0 HG22 VAL A 60 -0.175 2.895 0.182 1.00 1.87 H new ATOM 0 HG23 VAL A 60 -1.778 3.130 -0.553 1.00 1.87 H new ATOM 887 N GLU A 61 -2.651 7.222 1.515 1.00 0.53 N ATOM 888 CA GLU A 61 -2.931 8.604 1.943 1.00 0.59 C ATOM 889 C GLU A 61 -3.048 8.670 3.482 1.00 0.59 C ATOM 890 O GLU A 61 -2.428 9.517 4.126 1.00 0.72 O ATOM 891 CB GLU A 61 -4.216 9.127 1.272 1.00 0.67 C ATOM 892 CG GLU A 61 -4.241 9.037 -0.265 1.00 1.41 C ATOM 893 CD GLU A 61 -3.219 9.931 -0.966 1.00 1.31 C ATOM 894 OE1 GLU A 61 -3.187 11.151 -0.671 1.00 1.72 O ATOM 895 OE2 GLU A 61 -2.467 9.411 -1.823 1.00 2.31 O ATOM 0 H GLU A 61 -3.392 6.814 0.946 1.00 0.53 H new ATOM 0 HA GLU A 61 -2.104 9.243 1.632 1.00 0.59 H new ATOM 0 HB2 GLU A 61 -5.065 8.568 1.666 1.00 0.67 H new ATOM 0 HB3 GLU A 61 -4.359 10.168 1.561 1.00 0.67 H new ATOM 0 HG2 GLU A 61 -4.063 8.003 -0.559 1.00 1.41 H new ATOM 0 HG3 GLU A 61 -5.238 9.301 -0.616 1.00 1.41 H new ATOM 902 N ARG A 62 -3.709 7.665 4.078 1.00 0.58 N ATOM 903 CA ARG A 62 -3.752 7.294 5.508 1.00 0.61 C ATOM 904 C ARG A 62 -2.413 7.359 6.259 1.00 0.57 C ATOM 905 O ARG A 62 -2.405 7.351 7.496 1.00 0.69 O ATOM 906 CB ARG A 62 -4.333 5.861 5.551 1.00 0.74 C ATOM 907 CG ARG A 62 -4.106 4.978 6.796 1.00 1.33 C ATOM 908 CD ARG A 62 -2.713 4.304 6.908 1.00 0.93 C ATOM 909 NE ARG A 62 -2.615 3.479 8.118 1.00 1.20 N ATOM 910 CZ ARG A 62 -2.493 3.941 9.354 1.00 1.05 C ATOM 911 NH1 ARG A 62 -2.461 5.234 9.624 1.00 1.77 N ATOM 912 NH2 ARG A 62 -2.373 3.083 10.341 1.00 1.75 N ATOM 0 H ARG A 62 -4.282 7.030 3.522 1.00 0.58 H new ATOM 0 HA ARG A 62 -4.362 8.030 6.032 1.00 0.61 H new ATOM 0 HB2 ARG A 62 -5.410 5.942 5.402 1.00 0.74 H new ATOM 0 HB3 ARG A 62 -3.932 5.322 4.693 1.00 0.74 H new ATOM 0 HG2 ARG A 62 -4.264 5.590 7.684 1.00 1.33 H new ATOM 0 HG3 ARG A 62 -4.867 4.198 6.807 1.00 1.33 H new ATOM 0 HD2 ARG A 62 -2.534 3.686 6.028 1.00 0.93 H new ATOM 0 HD3 ARG A 62 -1.937 5.069 6.923 1.00 0.93 H new ATOM 0 HE ARG A 62 -2.643 2.467 7.998 1.00 1.20 H new ATOM 0 HH11 ARG A 62 -2.531 5.915 8.868 1.00 1.77 H new ATOM 0 HH12 ARG A 62 -2.366 5.551 10.589 1.00 1.77 H new ATOM 0 HH21 ARG A 62 -2.375 2.081 10.149 1.00 1.75 H new ATOM 0 HH22 ARG A 62 -2.278 3.418 11.300 1.00 1.75 H new ATOM 926 N ALA A 63 -1.279 7.284 5.562 1.00 0.51 N ATOM 927 CA ALA A 63 0.059 7.295 6.155 1.00 0.62 C ATOM 928 C ALA A 63 0.779 8.654 6.052 1.00 0.72 C ATOM 929 O ALA A 63 1.869 8.784 6.608 1.00 0.89 O ATOM 930 CB ALA A 63 0.857 6.168 5.490 1.00 0.68 C ATOM 0 H ALA A 63 -1.265 7.212 4.545 1.00 0.51 H new ATOM 0 HA ALA A 63 -0.028 7.130 7.229 1.00 0.62 H new ATOM 0 HB1 ALA A 63 1.864 6.142 5.905 1.00 0.68 H new ATOM 0 HB2 ALA A 63 0.363 5.214 5.675 1.00 0.68 H new ATOM 0 HB3 ALA A 63 0.912 6.346 4.416 1.00 0.68 H new ATOM 936 N GLY A 64 0.190 9.629 5.346 1.00 0.70 N ATOM 937 CA GLY A 64 0.801 10.905 4.972 1.00 0.85 C ATOM 938 C GLY A 64 1.565 10.793 3.654 1.00 0.84 C ATOM 939 O GLY A 64 2.294 11.714 3.289 1.00 1.00 O ATOM 0 H GLY A 64 -0.768 9.543 5.007 1.00 0.70 H new ATOM 0 HA2 GLY A 64 0.028 11.668 4.882 1.00 0.85 H new ATOM 0 HA3 GLY A 64 1.479 11.230 5.761 1.00 0.85 H new ATOM 943 N TYR A 65 1.463 9.649 2.968 1.00 0.73 N ATOM 944 CA TYR A 65 2.318 9.261 1.851 1.00 0.76 C ATOM 945 C TYR A 65 1.520 9.142 0.539 1.00 0.77 C ATOM 946 O TYR A 65 0.308 9.334 0.547 1.00 1.03 O ATOM 947 CB TYR A 65 3.042 7.955 2.223 1.00 0.77 C ATOM 948 CG TYR A 65 3.859 7.956 3.516 1.00 0.86 C ATOM 949 CD1 TYR A 65 4.420 9.139 4.051 1.00 2.15 C ATOM 950 CD2 TYR A 65 4.103 6.732 4.171 1.00 2.10 C ATOM 951 CE1 TYR A 65 5.125 9.115 5.269 1.00 2.16 C ATOM 952 CE2 TYR A 65 4.826 6.695 5.378 1.00 2.31 C ATOM 953 CZ TYR A 65 5.314 7.891 5.947 1.00 1.29 C ATOM 954 OH TYR A 65 5.971 7.857 7.140 1.00 1.59 O ATOM 0 H TYR A 65 0.757 8.946 3.187 1.00 0.73 H new ATOM 0 HA TYR A 65 3.062 10.036 1.668 1.00 0.76 H new ATOM 0 HB2 TYR A 65 2.296 7.163 2.295 1.00 0.77 H new ATOM 0 HB3 TYR A 65 3.709 7.692 1.402 1.00 0.77 H new ATOM 0 HD1 TYR A 65 4.306 10.072 3.519 1.00 2.15 H new ATOM 0 HD2 TYR A 65 3.731 5.813 3.742 1.00 2.10 H new ATOM 0 HE1 TYR A 65 5.520 10.030 5.684 1.00 2.16 H new ATOM 0 HE2 TYR A 65 5.008 5.751 5.869 1.00 2.31 H new ATOM 0 HH TYR A 65 6.009 6.934 7.466 1.00 1.59 H new ATOM 964 N HIS A 66 2.196 8.864 -0.588 1.00 0.66 N ATOM 965 CA HIS A 66 1.586 8.827 -1.922 1.00 0.65 C ATOM 966 C HIS A 66 1.990 7.583 -2.709 1.00 0.60 C ATOM 967 O HIS A 66 3.118 7.098 -2.614 1.00 0.72 O ATOM 968 CB HIS A 66 1.911 10.130 -2.686 1.00 0.78 C ATOM 969 CG HIS A 66 1.057 11.255 -2.172 1.00 0.93 C ATOM 970 ND1 HIS A 66 1.332 12.062 -1.081 1.00 2.26 N ATOM 971 CD2 HIS A 66 -0.283 11.330 -2.411 1.00 1.35 C ATOM 972 CE1 HIS A 66 0.164 12.559 -0.630 1.00 2.22 C ATOM 973 NE2 HIS A 66 -0.828 12.131 -1.434 1.00 1.29 N ATOM 0 H HIS A 66 3.195 8.656 -0.595 1.00 0.66 H new ATOM 0 HA HIS A 66 0.505 8.762 -1.800 1.00 0.65 H new ATOM 0 HB2 HIS A 66 2.965 10.379 -2.565 1.00 0.78 H new ATOM 0 HB3 HIS A 66 1.737 9.989 -3.753 1.00 0.78 H new ATOM 0 HD2 HIS A 66 -0.817 10.850 -3.217 1.00 1.35 H new ATOM 0 HE1 HIS A 66 0.043 13.196 0.234 1.00 2.22 H new ATOM 0 HE2 HIS A 66 -1.817 12.362 -1.335 1.00 1.29 H new ATOM 982 N ALA A 67 1.042 7.084 -3.505 1.00 0.64 N ATOM 983 CA ALA A 67 1.183 5.923 -4.378 1.00 0.78 C ATOM 984 C ALA A 67 1.922 6.305 -5.674 1.00 0.86 C ATOM 985 O ALA A 67 1.325 6.814 -6.625 1.00 1.25 O ATOM 986 CB ALA A 67 -0.233 5.384 -4.638 1.00 0.95 C ATOM 0 H ALA A 67 0.112 7.500 -3.559 1.00 0.64 H new ATOM 0 HA ALA A 67 1.788 5.144 -3.914 1.00 0.78 H new ATOM 0 HB1 ALA A 67 -0.176 4.512 -5.289 1.00 0.95 H new ATOM 0 HB2 ALA A 67 -0.694 5.101 -3.692 1.00 0.95 H new ATOM 0 HB3 ALA A 67 -0.834 6.156 -5.118 1.00 0.95 H new ATOM 992 N ARG A 68 3.235 6.046 -5.718 1.00 0.81 N ATOM 993 CA ARG A 68 4.084 6.435 -6.844 1.00 0.88 C ATOM 994 C ARG A 68 3.985 5.405 -7.953 1.00 0.78 C ATOM 995 O ARG A 68 4.459 4.276 -7.867 1.00 0.65 O ATOM 996 CB ARG A 68 5.533 6.590 -6.393 1.00 1.13 C ATOM 997 CG ARG A 68 6.592 6.846 -7.473 1.00 1.08 C ATOM 998 CD ARG A 68 6.390 8.238 -8.080 1.00 1.97 C ATOM 999 NE ARG A 68 7.341 8.565 -9.154 1.00 2.62 N ATOM 1000 CZ ARG A 68 7.786 9.792 -9.424 1.00 3.57 C ATOM 1001 NH1 ARG A 68 7.483 10.843 -8.684 1.00 4.03 N ATOM 1002 NH2 ARG A 68 8.557 9.989 -10.476 1.00 4.67 N ATOM 0 H ARG A 68 3.735 5.561 -4.973 1.00 0.81 H new ATOM 0 HA ARG A 68 3.737 7.396 -7.225 1.00 0.88 H new ATOM 0 HB2 ARG A 68 5.576 7.413 -5.679 1.00 1.13 H new ATOM 0 HB3 ARG A 68 5.815 5.686 -5.854 1.00 1.13 H new ATOM 0 HG2 ARG A 68 7.590 6.769 -7.042 1.00 1.08 H new ATOM 0 HG3 ARG A 68 6.521 6.086 -8.251 1.00 1.08 H new ATOM 0 HD2 ARG A 68 5.376 8.308 -8.473 1.00 1.97 H new ATOM 0 HD3 ARG A 68 6.479 8.984 -7.290 1.00 1.97 H new ATOM 0 HE ARG A 68 7.684 7.798 -9.733 1.00 2.62 H new ATOM 0 HH11 ARG A 68 6.884 10.735 -7.866 1.00 4.03 H new ATOM 0 HH12 ARG A 68 7.848 11.763 -8.931 1.00 4.03 H new ATOM 0 HH21 ARG A 68 8.809 9.205 -11.077 1.00 4.67 H new ATOM 0 HH22 ARG A 68 8.901 10.926 -10.688 1.00 4.67 H new ATOM 1016 N VAL A 69 3.445 5.864 -9.059 1.00 1.09 N ATOM 1017 CA VAL A 69 3.366 5.135 -10.307 1.00 1.26 C ATOM 1018 C VAL A 69 4.742 5.058 -10.963 1.00 1.32 C ATOM 1019 O VAL A 69 5.419 6.072 -11.144 1.00 1.49 O ATOM 1020 CB VAL A 69 2.314 5.775 -11.232 1.00 1.78 C ATOM 1021 CG1 VAL A 69 0.906 5.311 -10.827 1.00 2.47 C ATOM 1022 CG2 VAL A 69 2.358 7.315 -11.289 1.00 2.58 C ATOM 0 H VAL A 69 3.031 6.794 -9.117 1.00 1.09 H new ATOM 0 HA VAL A 69 3.045 4.112 -10.109 1.00 1.26 H new ATOM 0 HB VAL A 69 2.562 5.433 -12.237 1.00 1.78 H new ATOM 0 HG11 VAL A 69 0.168 5.768 -11.486 1.00 2.47 H new ATOM 0 HG12 VAL A 69 0.843 4.226 -10.909 1.00 2.47 H new ATOM 0 HG13 VAL A 69 0.707 5.609 -9.798 1.00 2.47 H new ATOM 0 HG21 VAL A 69 1.582 7.676 -11.964 1.00 2.58 H new ATOM 0 HG22 VAL A 69 2.189 7.721 -10.292 1.00 2.58 H new ATOM 0 HG23 VAL A 69 3.334 7.638 -11.651 1.00 2.58 H new ATOM 1032 N LEU A 70 5.150 3.828 -11.279 1.00 1.34 N ATOM 1033 CA LEU A 70 6.409 3.512 -11.946 1.00 1.54 C ATOM 1034 C LEU A 70 6.169 3.069 -13.390 1.00 1.74 C ATOM 1035 O LEU A 70 5.113 2.529 -13.714 1.00 2.24 O ATOM 1036 CB LEU A 70 7.186 2.487 -11.097 1.00 1.47 C ATOM 1037 CG LEU A 70 6.712 1.012 -11.062 1.00 1.41 C ATOM 1038 CD1 LEU A 70 7.098 0.189 -12.307 1.00 1.79 C ATOM 1039 CD2 LEU A 70 7.365 0.322 -9.853 1.00 1.44 C ATOM 0 H LEU A 70 4.593 2.999 -11.070 1.00 1.34 H new ATOM 0 HA LEU A 70 7.031 4.403 -12.023 1.00 1.54 H new ATOM 0 HB2 LEU A 70 8.219 2.490 -11.445 1.00 1.47 H new ATOM 0 HB3 LEU A 70 7.194 2.852 -10.070 1.00 1.47 H new ATOM 0 HG LEU A 70 5.624 1.046 -11.013 1.00 1.41 H new ATOM 0 HD11 LEU A 70 6.727 -0.830 -12.199 1.00 1.79 H new ATOM 0 HD12 LEU A 70 6.657 0.643 -13.194 1.00 1.79 H new ATOM 0 HD13 LEU A 70 8.183 0.171 -12.409 1.00 1.79 H new ATOM 0 HD21 LEU A 70 7.044 -0.719 -9.811 1.00 1.44 H new ATOM 0 HD22 LEU A 70 8.450 0.363 -9.953 1.00 1.44 H new ATOM 0 HD23 LEU A 70 7.065 0.832 -8.937 1.00 1.44 H new ATOM 1051 N LYS A 71 7.169 3.263 -14.250 1.00 1.81 N ATOM 1052 CA LYS A 71 7.171 2.775 -15.629 1.00 1.98 C ATOM 1053 C LYS A 71 8.607 2.520 -16.107 1.00 2.22 C ATOM 1054 O LYS A 71 9.377 3.455 -16.291 1.00 3.01 O ATOM 1055 CB LYS A 71 6.458 3.780 -16.562 1.00 2.95 C ATOM 1056 CG LYS A 71 4.932 3.567 -16.655 1.00 4.13 C ATOM 1057 CD LYS A 71 4.412 3.674 -18.097 1.00 5.11 C ATOM 1058 CE LYS A 71 4.917 2.470 -18.910 1.00 5.08 C ATOM 1059 NZ LYS A 71 4.677 2.610 -20.363 1.00 6.26 N ATOM 0 H LYS A 71 8.017 3.774 -14.003 1.00 1.81 H new ATOM 0 HA LYS A 71 6.625 1.832 -15.661 1.00 1.98 H new ATOM 0 HB2 LYS A 71 6.654 4.792 -16.208 1.00 2.95 H new ATOM 0 HB3 LYS A 71 6.888 3.703 -17.561 1.00 2.95 H new ATOM 0 HG2 LYS A 71 4.680 2.586 -16.253 1.00 4.13 H new ATOM 0 HG3 LYS A 71 4.426 4.306 -16.034 1.00 4.13 H new ATOM 0 HD2 LYS A 71 3.322 3.699 -18.102 1.00 5.11 H new ATOM 0 HD3 LYS A 71 4.755 4.604 -18.551 1.00 5.11 H new ATOM 0 HE2 LYS A 71 5.985 2.343 -18.735 1.00 5.08 H new ATOM 0 HE3 LYS A 71 4.426 1.565 -18.552 1.00 5.08 H new ATOM 0 HZ1 LYS A 71 5.437 2.132 -20.888 1.00 6.26 H new ATOM 0 HZ2 LYS A 71 3.763 2.178 -20.607 1.00 6.26 H new ATOM 0 HZ3 LYS A 71 4.662 3.618 -20.617 1.00 6.26 H new ATOM 1073 N GLN A 72 8.945 1.253 -16.357 1.00 2.44 N ATOM 1074 CA GLN A 72 10.265 0.864 -16.861 1.00 3.39 C ATOM 1075 C GLN A 72 10.395 1.000 -18.389 1.00 3.31 C ATOM 1076 O GLN A 72 11.484 1.280 -18.869 1.00 3.90 O ATOM 1077 CB GLN A 72 10.533 -0.583 -16.421 1.00 4.49 C ATOM 1078 CG GLN A 72 11.997 -1.005 -16.617 1.00 5.51 C ATOM 1079 CD GLN A 72 12.164 -2.496 -16.356 1.00 6.48 C ATOM 1080 OE1 GLN A 72 11.978 -2.983 -15.258 1.00 6.85 O ATOM 1081 NE2 GLN A 72 12.458 -3.288 -17.364 1.00 7.44 N ATOM 0 H GLN A 72 8.311 0.467 -16.216 1.00 2.44 H new ATOM 0 HA GLN A 72 11.007 1.544 -16.442 1.00 3.39 H new ATOM 0 HB2 GLN A 72 10.266 -0.693 -15.370 1.00 4.49 H new ATOM 0 HB3 GLN A 72 9.887 -1.255 -16.986 1.00 4.49 H new ATOM 0 HG2 GLN A 72 12.316 -0.770 -17.632 1.00 5.51 H new ATOM 0 HG3 GLN A 72 12.638 -0.438 -15.942 1.00 5.51 H new ATOM 0 HE21 GLN A 72 12.617 -2.895 -18.292 1.00 7.44 H new ATOM 0 HE22 GLN A 72 12.527 -4.295 -17.218 1.00 7.44 H new ATOM 1090 N GLN A 73 9.327 0.799 -19.176 1.00 3.56 N ATOM 1091 CA GLN A 73 9.438 0.770 -20.641 1.00 3.78 C ATOM 1092 C GLN A 73 8.106 1.022 -21.375 1.00 4.64 C ATOM 1093 O GLN A 73 7.045 1.159 -20.759 1.00 5.45 O ATOM 1094 CB GLN A 73 10.087 -0.558 -21.103 1.00 4.30 C ATOM 1095 CG GLN A 73 9.220 -1.812 -20.865 1.00 4.95 C ATOM 1096 CD GLN A 73 9.763 -3.056 -21.573 1.00 6.11 C ATOM 1097 OE1 GLN A 73 10.499 -2.985 -22.538 1.00 6.66 O ATOM 1098 NE2 GLN A 73 9.405 -4.248 -21.148 1.00 7.17 N ATOM 0 H GLN A 73 8.381 0.655 -18.824 1.00 3.56 H new ATOM 0 HA GLN A 73 10.082 1.605 -20.916 1.00 3.78 H new ATOM 0 HB2 GLN A 73 10.314 -0.486 -22.167 1.00 4.30 H new ATOM 0 HB3 GLN A 73 11.036 -0.684 -20.582 1.00 4.30 H new ATOM 0 HG2 GLN A 73 9.159 -2.007 -19.794 1.00 4.95 H new ATOM 0 HG3 GLN A 73 8.205 -1.617 -21.212 1.00 4.95 H new ATOM 0 HE21 GLN A 73 8.788 -4.338 -20.341 1.00 7.17 H new ATOM 0 HE22 GLN A 73 9.744 -5.083 -21.626 1.00 7.17 H new TER 1107 GLN A 73