USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 429 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 48 HIS : no HE2:sc= -1.79 K(o=-1.3,f=-3) USER MOD Set 1.2: A 52 SER OG : rot 162:sc= 0.473 USER MOD Single : A 1 LEU N :NH3+ -113:sc= 0.165 (180deg=-2.54) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0671 X(o=-0.067,f=-0.52) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -2.7 (180deg=-3.1) USER MOD Single : A 13 LYS NZ :NH3+ 147:sc= -0.638 (180deg=-2.12!) USER MOD Single : A 22 ASN : amide:sc= -2 X(o=-2,f=-2) USER MOD Single : A 29 SER OG : rot 112:sc= 1.28 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 93:sc= 1.24 USER MOD Single : A 36 GLN : amide:sc= -0.351 K(o=-0.35,f=-4.3!) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.364 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -3.138 2.916 -3.903 1.00 32.42 N ATOM 2 CA LEU A 1 -1.823 2.297 -3.774 1.00 51.35 C ATOM 3 C LEU A 1 -0.716 3.313 -4.036 1.00 2.31 C ATOM 4 O LEU A 1 -0.983 4.463 -4.386 1.00 10.13 O ATOM 5 CB LEU A 1 -1.693 1.123 -4.746 1.00 20.21 C ATOM 6 CG LEU A 1 -2.167 -0.235 -4.225 1.00 40.52 C ATOM 7 CD1 LEU A 1 -1.290 -0.700 -3.073 1.00 71.12 C ATOM 8 CD2 LEU A 1 -3.624 -0.161 -3.793 1.00 11.44 C ATOM 0 H1 LEU A 1 -3.603 2.940 -2.973 1.00 32.42 H new ATOM 0 H2 LEU A 1 -3.031 3.886 -4.262 1.00 32.42 H new ATOM 0 H3 LEU A 1 -3.718 2.364 -4.566 1.00 32.42 H new ATOM 0 HA LEU A 1 -1.720 1.929 -2.753 1.00 51.35 H new ATOM 0 HB2 LEU A 1 -2.256 1.360 -5.649 1.00 20.21 H new ATOM 0 HB3 LEU A 1 -0.647 1.033 -5.038 1.00 20.21 H new ATOM 0 HG LEU A 1 -2.085 -0.962 -5.033 1.00 40.52 H new ATOM 0 HD11 LEU A 1 -1.642 -1.668 -2.715 1.00 71.12 H new ATOM 0 HD12 LEU A 1 -0.259 -0.793 -3.415 1.00 71.12 H new ATOM 0 HD13 LEU A 1 -1.339 0.027 -2.262 1.00 71.12 H new ATOM 0 HD21 LEU A 1 -3.944 -1.136 -3.425 1.00 11.44 H new ATOM 0 HD22 LEU A 1 -3.731 0.579 -3.000 1.00 11.44 H new ATOM 0 HD23 LEU A 1 -4.242 0.127 -4.644 1.00 11.44 H new ATOM 20 N LYS A 2 0.529 2.881 -3.866 1.00 30.21 N ATOM 21 CA LYS A 2 1.678 3.750 -4.087 1.00 4.45 C ATOM 22 C LYS A 2 2.240 3.563 -5.492 1.00 42.43 C ATOM 23 O LYS A 2 2.794 4.493 -6.079 1.00 52.32 O ATOM 24 CB LYS A 2 2.766 3.465 -3.049 1.00 24.01 C ATOM 25 CG LYS A 2 3.326 2.055 -3.126 1.00 35.11 C ATOM 26 CD LYS A 2 4.783 2.056 -3.556 1.00 71.40 C ATOM 27 CE LYS A 2 4.917 2.080 -5.071 1.00 11.21 C ATOM 28 NZ LYS A 2 6.303 1.757 -5.510 1.00 55.05 N ATOM 0 H LYS A 2 0.768 1.933 -3.575 1.00 30.21 H new ATOM 0 HA LYS A 2 1.346 4.783 -3.982 1.00 4.45 H new ATOM 0 HB2 LYS A 2 3.580 4.178 -3.183 1.00 24.01 H new ATOM 0 HB3 LYS A 2 2.358 3.631 -2.052 1.00 24.01 H new ATOM 0 HG2 LYS A 2 3.233 1.572 -2.153 1.00 35.11 H new ATOM 0 HG3 LYS A 2 2.738 1.467 -3.831 1.00 35.11 H new ATOM 0 HD2 LYS A 2 5.288 2.923 -3.131 1.00 71.40 H new ATOM 0 HD3 LYS A 2 5.281 1.171 -3.160 1.00 71.40 H new ATOM 0 HE2 LYS A 2 4.221 1.364 -5.509 1.00 11.21 H new ATOM 0 HE3 LYS A 2 4.638 3.065 -5.445 1.00 11.21 H new ATOM 0 HZ1 LYS A 2 6.353 1.784 -6.548 1.00 55.05 H new ATOM 0 HZ2 LYS A 2 6.964 2.455 -5.113 1.00 55.05 H new ATOM 0 HZ3 LYS A 2 6.561 0.807 -5.175 1.00 55.05 H new ATOM 42 N VAL A 3 2.093 2.356 -6.028 1.00 30.32 N ATOM 43 CA VAL A 3 2.583 2.048 -7.366 1.00 24.21 C ATOM 44 C VAL A 3 2.147 3.109 -8.369 1.00 55.41 C ATOM 45 O VAL A 3 2.841 3.375 -9.349 1.00 52.43 O ATOM 46 CB VAL A 3 2.086 0.671 -7.843 1.00 74.50 C ATOM 47 CG1 VAL A 3 2.941 -0.440 -7.254 1.00 24.35 C ATOM 48 CG2 VAL A 3 0.622 0.478 -7.478 1.00 34.23 C ATOM 0 H VAL A 3 1.638 1.575 -5.556 1.00 30.32 H new ATOM 0 HA VAL A 3 3.671 2.033 -7.308 1.00 24.21 H new ATOM 0 HB VAL A 3 2.176 0.628 -8.928 1.00 74.50 H new ATOM 0 HG11 VAL A 3 2.574 -1.405 -7.603 1.00 24.35 H new ATOM 0 HG12 VAL A 3 3.976 -0.309 -7.570 1.00 24.35 H new ATOM 0 HG13 VAL A 3 2.887 -0.403 -6.166 1.00 24.35 H new ATOM 0 HG21 VAL A 3 0.287 -0.500 -7.823 1.00 34.23 H new ATOM 0 HG22 VAL A 3 0.505 0.541 -6.396 1.00 34.23 H new ATOM 0 HG23 VAL A 3 0.023 1.255 -7.953 1.00 34.23 H new ATOM 58 N GLY A 4 0.990 3.714 -8.117 1.00 14.35 N ATOM 59 CA GLY A 4 0.480 4.741 -9.006 1.00 75.14 C ATOM 60 C GLY A 4 -0.910 4.423 -9.522 1.00 62.14 C ATOM 61 O GLY A 4 -1.457 5.156 -10.346 1.00 51.30 O ATOM 0 H GLY A 4 0.397 3.511 -7.313 1.00 14.35 H new ATOM 0 HA2 GLY A 4 0.459 5.695 -8.480 1.00 75.14 H new ATOM 0 HA3 GLY A 4 1.160 4.857 -9.850 1.00 75.14 H new ATOM 65 N PHE A 5 -1.482 3.325 -9.039 1.00 0.22 N ATOM 66 CA PHE A 5 -2.815 2.910 -9.458 1.00 74.14 C ATOM 67 C PHE A 5 -3.841 4.003 -9.171 1.00 60.42 C ATOM 68 O PHE A 5 -4.919 4.029 -9.765 1.00 12.20 O ATOM 69 CB PHE A 5 -3.218 1.617 -8.746 1.00 2.13 C ATOM 70 CG PHE A 5 -4.527 1.717 -8.017 1.00 33.01 C ATOM 71 CD1 PHE A 5 -4.588 2.264 -6.745 1.00 65.51 C ATOM 72 CD2 PHE A 5 -5.698 1.264 -8.603 1.00 60.24 C ATOM 73 CE1 PHE A 5 -5.791 2.357 -6.072 1.00 10.32 C ATOM 74 CE2 PHE A 5 -6.904 1.355 -7.935 1.00 53.42 C ATOM 75 CZ PHE A 5 -6.951 1.902 -6.667 1.00 63.44 C ATOM 0 H PHE A 5 -1.043 2.707 -8.357 1.00 0.22 H new ATOM 0 HA PHE A 5 -2.791 2.732 -10.533 1.00 74.14 H new ATOM 0 HB2 PHE A 5 -3.280 0.812 -9.479 1.00 2.13 H new ATOM 0 HB3 PHE A 5 -2.437 1.343 -8.037 1.00 2.13 H new ATOM 0 HD1 PHE A 5 -3.684 2.622 -6.274 1.00 65.51 H new ATOM 0 HD2 PHE A 5 -5.668 0.835 -9.594 1.00 60.24 H new ATOM 0 HE1 PHE A 5 -5.824 2.785 -5.081 1.00 10.32 H new ATOM 0 HE2 PHE A 5 -7.809 0.999 -8.404 1.00 53.42 H new ATOM 0 HZ PHE A 5 -7.892 1.973 -6.143 1.00 63.44 H new ATOM 85 N PHE A 6 -3.497 4.903 -8.256 1.00 71.40 N ATOM 86 CA PHE A 6 -4.387 5.997 -7.888 1.00 15.31 C ATOM 87 C PHE A 6 -4.700 6.874 -9.097 1.00 75.20 C ATOM 88 O PHE A 6 -5.751 7.513 -9.160 1.00 60.13 O ATOM 89 CB PHE A 6 -3.758 6.844 -6.779 1.00 74.33 C ATOM 90 CG PHE A 6 -2.631 7.714 -7.256 1.00 63.41 C ATOM 91 CD1 PHE A 6 -2.879 8.986 -7.745 1.00 44.02 C ATOM 92 CD2 PHE A 6 -1.323 7.259 -7.216 1.00 25.33 C ATOM 93 CE1 PHE A 6 -1.843 9.789 -8.184 1.00 51.34 C ATOM 94 CE2 PHE A 6 -0.283 8.058 -7.653 1.00 60.51 C ATOM 95 CZ PHE A 6 -0.544 9.324 -8.139 1.00 64.22 C ATOM 0 H PHE A 6 -2.608 4.896 -7.756 1.00 71.40 H new ATOM 0 HA PHE A 6 -5.319 5.566 -7.522 1.00 15.31 H new ATOM 0 HB2 PHE A 6 -4.528 7.473 -6.332 1.00 74.33 H new ATOM 0 HB3 PHE A 6 -3.390 6.184 -5.993 1.00 74.33 H new ATOM 0 HD1 PHE A 6 -3.893 9.355 -7.784 1.00 44.02 H new ATOM 0 HD2 PHE A 6 -1.114 6.269 -6.839 1.00 25.33 H new ATOM 0 HE1 PHE A 6 -2.050 10.779 -8.562 1.00 51.34 H new ATOM 0 HE2 PHE A 6 0.733 7.693 -7.614 1.00 60.51 H new ATOM 0 HZ PHE A 6 0.267 9.949 -8.483 1.00 64.22 H new ATOM 105 N LYS A 7 -3.781 6.900 -10.056 1.00 24.55 N ATOM 106 CA LYS A 7 -3.956 7.696 -11.264 1.00 52.20 C ATOM 107 C LYS A 7 -5.179 7.232 -12.049 1.00 63.41 C ATOM 108 O LYS A 7 -5.674 7.943 -12.923 1.00 43.04 O ATOM 109 CB LYS A 7 -2.708 7.607 -12.144 1.00 45.03 C ATOM 110 CG LYS A 7 -2.695 8.610 -13.285 1.00 24.20 C ATOM 111 CD LYS A 7 -2.069 9.928 -12.862 1.00 3.15 C ATOM 112 CE LYS A 7 -0.607 9.754 -12.479 1.00 20.51 C ATOM 113 NZ LYS A 7 0.304 10.412 -13.455 1.00 65.13 N ATOM 0 H LYS A 7 -2.906 6.378 -10.019 1.00 24.55 H new ATOM 0 HA LYS A 7 -4.109 8.733 -10.966 1.00 52.20 H new ATOM 0 HB2 LYS A 7 -1.825 7.763 -11.524 1.00 45.03 H new ATOM 0 HB3 LYS A 7 -2.635 6.600 -12.556 1.00 45.03 H new ATOM 0 HG2 LYS A 7 -2.141 8.197 -14.128 1.00 24.20 H new ATOM 0 HG3 LYS A 7 -3.715 8.784 -13.629 1.00 24.20 H new ATOM 0 HD2 LYS A 7 -2.150 10.648 -13.676 1.00 3.15 H new ATOM 0 HD3 LYS A 7 -2.621 10.339 -12.017 1.00 3.15 H new ATOM 0 HE2 LYS A 7 -0.439 10.172 -11.487 1.00 20.51 H new ATOM 0 HE3 LYS A 7 -0.371 8.691 -12.421 1.00 20.51 H new ATOM 0 HZ1 LYS A 7 1.291 10.271 -13.159 1.00 65.13 H new ATOM 0 HZ2 LYS A 7 0.162 9.995 -14.397 1.00 65.13 H new ATOM 0 HZ3 LYS A 7 0.096 11.430 -13.492 1.00 65.13 H new ATOM 127 N ARG A 8 -5.661 6.035 -11.730 1.00 53.03 N ATOM 128 CA ARG A 8 -6.826 5.476 -12.406 1.00 12.30 C ATOM 129 C ARG A 8 -7.957 6.498 -12.475 1.00 11.44 C ATOM 130 O ARG A 8 -8.642 6.613 -13.490 1.00 12.31 O ATOM 131 CB ARG A 8 -7.306 4.217 -11.683 1.00 32.41 C ATOM 132 CG ARG A 8 -8.234 3.351 -12.519 1.00 34.30 C ATOM 133 CD ARG A 8 -9.310 2.700 -11.664 1.00 31.15 C ATOM 134 NE ARG A 8 -10.653 3.099 -12.076 1.00 11.24 N ATOM 135 CZ ARG A 8 -11.760 2.495 -11.659 1.00 20.44 C ATOM 136 NH1 ARG A 8 -11.684 1.469 -10.822 1.00 31.02 N ATOM 137 NH2 ARG A 8 -12.946 2.916 -12.078 1.00 51.23 N ATOM 0 H ARG A 8 -5.263 5.434 -11.008 1.00 53.03 H new ATOM 0 HA ARG A 8 -6.534 5.214 -13.423 1.00 12.30 H new ATOM 0 HB2 ARG A 8 -6.440 3.626 -11.387 1.00 32.41 H new ATOM 0 HB3 ARG A 8 -7.821 4.508 -10.768 1.00 32.41 H new ATOM 0 HG2 ARG A 8 -8.702 3.959 -13.293 1.00 34.30 H new ATOM 0 HG3 ARG A 8 -7.655 2.580 -13.026 1.00 34.30 H new ATOM 0 HD2 ARG A 8 -9.218 1.616 -11.729 1.00 31.15 H new ATOM 0 HD3 ARG A 8 -9.156 2.971 -10.619 1.00 31.15 H new ATOM 0 HE ARG A 8 -10.746 3.885 -12.720 1.00 11.24 H new ATOM 0 HH11 ARG A 8 -10.774 1.142 -10.497 1.00 31.02 H new ATOM 0 HH12 ARG A 8 -12.536 1.007 -10.503 1.00 31.02 H new ATOM 0 HH21 ARG A 8 -13.009 3.705 -12.722 1.00 51.23 H new ATOM 0 HH22 ARG A 8 -13.795 2.451 -11.757 1.00 51.23 H new ATOM 151 N ASN A 9 -8.146 7.238 -11.387 1.00 12.14 N ATOM 152 CA ASN A 9 -9.195 8.250 -11.323 1.00 24.10 C ATOM 153 C ASN A 9 -8.743 9.544 -11.993 1.00 72.13 C ATOM 154 O ASN A 9 -9.510 10.182 -12.716 1.00 62.22 O ATOM 155 CB ASN A 9 -9.580 8.524 -9.868 1.00 32.31 C ATOM 156 CG ASN A 9 -10.684 9.557 -9.747 1.00 30.51 C ATOM 157 OD1 ASN A 9 -11.819 9.320 -10.161 1.00 20.21 O ATOM 158 ND2 ASN A 9 -10.355 10.710 -9.177 1.00 42.13 N ATOM 0 H ASN A 9 -7.587 7.156 -10.538 1.00 12.14 H new ATOM 0 HA ASN A 9 -10.066 7.870 -11.857 1.00 24.10 H new ATOM 0 HB2 ASN A 9 -9.903 7.594 -9.399 1.00 32.31 H new ATOM 0 HB3 ASN A 9 -8.702 8.869 -9.321 1.00 32.31 H new ATOM 0 HD21 ASN A 9 -11.056 11.443 -9.068 1.00 42.13 H new ATOM 0 HD22 ASN A 9 -9.402 10.863 -8.848 1.00 42.13 H new ATOM 165 N LEU A 10 -7.494 9.926 -11.749 1.00 74.41 N ATOM 166 CA LEU A 10 -6.939 11.144 -12.329 1.00 74.44 C ATOM 167 C LEU A 10 -7.014 11.104 -13.852 1.00 53.43 C ATOM 168 O LEU A 10 -7.148 12.140 -14.505 1.00 70.43 O ATOM 169 CB LEU A 10 -5.488 11.329 -11.883 1.00 61.14 C ATOM 170 CG LEU A 10 -5.059 12.764 -11.574 1.00 21.55 C ATOM 171 CD1 LEU A 10 -5.538 13.711 -12.662 1.00 71.03 C ATOM 172 CD2 LEU A 10 -5.590 13.197 -10.215 1.00 1.20 C ATOM 0 H LEU A 10 -6.847 9.410 -11.153 1.00 74.41 H new ATOM 0 HA LEU A 10 -7.531 11.988 -11.976 1.00 74.44 H new ATOM 0 HB2 LEU A 10 -5.322 10.722 -10.993 1.00 61.14 H new ATOM 0 HB3 LEU A 10 -4.836 10.936 -12.663 1.00 61.14 H new ATOM 0 HG LEU A 10 -3.970 12.799 -11.545 1.00 21.55 H new ATOM 0 HD11 LEU A 10 -5.223 14.727 -12.424 1.00 71.03 H new ATOM 0 HD12 LEU A 10 -5.109 13.413 -13.619 1.00 71.03 H new ATOM 0 HD13 LEU A 10 -6.626 13.673 -12.724 1.00 71.03 H new ATOM 0 HD21 LEU A 10 -5.276 14.220 -10.011 1.00 1.20 H new ATOM 0 HD22 LEU A 10 -6.679 13.145 -10.216 1.00 1.20 H new ATOM 0 HD23 LEU A 10 -5.196 12.536 -9.443 1.00 1.20 H new ATOM 184 N LYS A 11 -6.929 9.903 -14.413 1.00 35.31 N ATOM 185 CA LYS A 11 -6.991 9.726 -15.859 1.00 11.40 C ATOM 186 C LYS A 11 -8.416 9.420 -16.309 1.00 63.45 C ATOM 187 O LYS A 11 -8.776 9.658 -17.462 1.00 33.24 O ATOM 188 CB LYS A 11 -6.053 8.599 -16.297 1.00 3.55 C ATOM 189 CG LYS A 11 -5.018 9.032 -17.321 1.00 54.51 C ATOM 190 CD LYS A 11 -4.410 10.379 -16.965 1.00 32.42 C ATOM 191 CE LYS A 11 -3.930 10.409 -15.522 1.00 64.30 C ATOM 192 NZ LYS A 11 -3.852 11.798 -14.992 1.00 52.21 N ATOM 0 H LYS A 11 -6.817 9.036 -13.887 1.00 35.31 H new ATOM 0 HA LYS A 11 -6.673 10.657 -16.328 1.00 11.40 H new ATOM 0 HB2 LYS A 11 -5.541 8.203 -15.420 1.00 3.55 H new ATOM 0 HB3 LYS A 11 -6.646 7.785 -16.714 1.00 3.55 H new ATOM 0 HG2 LYS A 11 -4.230 8.281 -17.383 1.00 54.51 H new ATOM 0 HG3 LYS A 11 -5.481 9.090 -18.306 1.00 54.51 H new ATOM 0 HD2 LYS A 11 -3.574 10.590 -17.632 1.00 32.42 H new ATOM 0 HD3 LYS A 11 -5.149 11.165 -17.121 1.00 32.42 H new ATOM 0 HE2 LYS A 11 -4.607 9.821 -14.902 1.00 64.30 H new ATOM 0 HE3 LYS A 11 -2.949 9.940 -15.456 1.00 64.30 H new ATOM 0 HZ1 LYS A 11 -3.823 11.772 -13.953 1.00 52.21 H new ATOM 0 HZ2 LYS A 11 -2.991 12.259 -15.351 1.00 52.21 H new ATOM 0 HZ3 LYS A 11 -4.687 12.335 -15.302 1.00 52.21 H new ATOM 206 N GLU A 12 -9.221 8.891 -15.393 1.00 2.52 N ATOM 207 CA GLU A 12 -10.606 8.553 -15.697 1.00 52.54 C ATOM 208 C GLU A 12 -11.310 9.716 -16.392 1.00 22.02 C ATOM 209 O GLU A 12 -12.260 9.519 -17.150 1.00 22.43 O ATOM 210 CB GLU A 12 -11.357 8.180 -14.417 1.00 44.13 C ATOM 211 CG GLU A 12 -12.003 9.367 -13.723 1.00 31.34 C ATOM 212 CD GLU A 12 -13.444 9.577 -14.146 1.00 62.15 C ATOM 213 OE1 GLU A 12 -14.286 8.707 -13.840 1.00 1.51 O ATOM 214 OE2 GLU A 12 -13.729 10.612 -14.785 1.00 23.12 O ATOM 0 H GLU A 12 -8.938 8.687 -14.435 1.00 2.52 H new ATOM 0 HA GLU A 12 -10.604 7.696 -16.371 1.00 52.54 H new ATOM 0 HB2 GLU A 12 -12.127 7.447 -14.658 1.00 44.13 H new ATOM 0 HB3 GLU A 12 -10.664 7.699 -13.726 1.00 44.13 H new ATOM 0 HG2 GLU A 12 -11.963 9.218 -12.644 1.00 31.34 H new ATOM 0 HG3 GLU A 12 -11.429 10.267 -13.942 1.00 31.34 H new ATOM 221 N LYS A 13 -10.837 10.929 -16.127 1.00 41.11 N ATOM 222 CA LYS A 13 -11.418 12.125 -16.726 1.00 33.24 C ATOM 223 C LYS A 13 -10.899 12.331 -18.145 1.00 24.41 C ATOM 224 O LYS A 13 -11.645 12.737 -19.036 1.00 1.30 O ATOM 225 CB LYS A 13 -11.100 13.354 -15.871 1.00 40.14 C ATOM 226 CG LYS A 13 -9.615 13.653 -15.765 1.00 44.05 C ATOM 227 CD LYS A 13 -9.248 14.177 -14.387 1.00 71.10 C ATOM 228 CE LYS A 13 -8.132 15.207 -14.461 1.00 5.10 C ATOM 229 NZ LYS A 13 -7.833 15.798 -13.127 1.00 64.21 N ATOM 0 H LYS A 13 -10.052 11.110 -15.501 1.00 41.11 H new ATOM 0 HA LYS A 13 -12.499 11.990 -16.770 1.00 33.24 H new ATOM 0 HB2 LYS A 13 -11.607 14.221 -16.293 1.00 40.14 H new ATOM 0 HB3 LYS A 13 -11.504 13.204 -14.870 1.00 40.14 H new ATOM 0 HG2 LYS A 13 -9.045 12.748 -15.975 1.00 44.05 H new ATOM 0 HG3 LYS A 13 -9.336 14.387 -16.521 1.00 44.05 H new ATOM 0 HD2 LYS A 13 -10.126 14.624 -13.921 1.00 71.10 H new ATOM 0 HD3 LYS A 13 -8.937 13.347 -13.752 1.00 71.10 H new ATOM 0 HE2 LYS A 13 -7.232 14.739 -14.861 1.00 5.10 H new ATOM 0 HE3 LYS A 13 -8.415 15.999 -15.154 1.00 5.10 H new ATOM 0 HZ1 LYS A 13 -6.819 16.021 -13.066 1.00 64.21 H new ATOM 0 HZ2 LYS A 13 -8.387 16.669 -13.001 1.00 64.21 H new ATOM 0 HZ3 LYS A 13 -8.083 15.117 -12.382 1.00 64.21 H new ATOM 243 N ILE A 14 -9.617 12.046 -18.348 1.00 23.02 N ATOM 244 CA ILE A 14 -8.999 12.198 -19.659 1.00 74.34 C ATOM 245 C ILE A 14 -9.740 11.381 -20.713 1.00 40.43 C ATOM 246 O ILE A 14 -10.023 11.872 -21.806 1.00 32.23 O ATOM 247 CB ILE A 14 -7.521 11.768 -19.639 1.00 23.52 C ATOM 248 CG1 ILE A 14 -6.647 12.893 -19.081 1.00 52.21 C ATOM 249 CG2 ILE A 14 -7.063 11.377 -21.036 1.00 50.53 C ATOM 250 CD1 ILE A 14 -6.920 13.205 -17.626 1.00 43.12 C ATOM 0 H ILE A 14 -8.986 11.709 -17.621 1.00 23.02 H new ATOM 0 HA ILE A 14 -9.057 13.256 -19.914 1.00 74.34 H new ATOM 0 HB ILE A 14 -7.420 10.899 -18.989 1.00 23.52 H new ATOM 0 HG12 ILE A 14 -5.598 12.618 -19.195 1.00 52.21 H new ATOM 0 HG13 ILE A 14 -6.806 13.794 -19.674 1.00 52.21 H new ATOM 0 HG21 ILE A 14 -6.016 11.076 -21.005 1.00 50.53 H new ATOM 0 HG22 ILE A 14 -7.669 10.547 -21.398 1.00 50.53 H new ATOM 0 HG23 ILE A 14 -7.175 12.228 -21.707 1.00 50.53 H new ATOM 0 HD11 ILE A 14 -6.265 14.012 -17.298 1.00 43.12 H new ATOM 0 HD12 ILE A 14 -7.959 13.511 -17.508 1.00 43.12 H new ATOM 0 HD13 ILE A 14 -6.733 12.317 -17.022 1.00 43.12 H new ATOM 262 N GLU A 15 -10.052 10.134 -20.376 1.00 70.12 N ATOM 263 CA GLU A 15 -10.761 9.250 -21.294 1.00 31.00 C ATOM 264 C GLU A 15 -11.999 9.937 -21.863 1.00 72.23 C ATOM 265 O GLU A 15 -12.550 9.507 -22.877 1.00 3.05 O ATOM 266 CB GLU A 15 -11.164 7.957 -20.583 1.00 22.54 C ATOM 267 CG GLU A 15 -12.434 8.085 -19.758 1.00 44.31 C ATOM 268 CD GLU A 15 -12.463 7.132 -18.580 1.00 31.45 C ATOM 269 OE1 GLU A 15 -11.536 6.304 -18.462 1.00 24.11 O ATOM 270 OE2 GLU A 15 -13.414 7.214 -17.774 1.00 74.45 O ATOM 0 H GLU A 15 -9.825 9.713 -19.475 1.00 70.12 H new ATOM 0 HA GLU A 15 -10.089 9.009 -22.118 1.00 31.00 H new ATOM 0 HB2 GLU A 15 -11.301 7.172 -21.326 1.00 22.54 H new ATOM 0 HB3 GLU A 15 -10.349 7.641 -19.932 1.00 22.54 H new ATOM 0 HG2 GLU A 15 -12.525 9.109 -19.395 1.00 44.31 H new ATOM 0 HG3 GLU A 15 -13.298 7.895 -20.395 1.00 44.31 H new ATOM 277 N ALA A 16 -12.431 11.006 -21.203 1.00 54.34 N ATOM 278 CA ALA A 16 -13.603 11.754 -21.644 1.00 22.14 C ATOM 279 C ALA A 16 -13.243 13.202 -21.959 1.00 33.11 C ATOM 280 O ALA A 16 -13.916 13.860 -22.751 1.00 40.30 O ATOM 281 CB ALA A 16 -14.694 11.697 -20.584 1.00 44.44 C ATOM 0 H ALA A 16 -11.988 11.374 -20.361 1.00 54.34 H new ATOM 0 HA ALA A 16 -13.976 11.293 -22.559 1.00 22.14 H new ATOM 0 HB1 ALA A 16 -15.563 12.259 -20.926 1.00 44.44 H new ATOM 0 HB2 ALA A 16 -14.979 10.659 -20.410 1.00 44.44 H new ATOM 0 HB3 ALA A 16 -14.323 12.132 -19.656 1.00 44.44 H new ATOM 287 N GLY A 17 -12.178 13.692 -21.332 1.00 40.44 N ATOM 288 CA GLY A 17 -11.749 15.060 -21.559 1.00 44.01 C ATOM 289 C GLY A 17 -11.026 15.229 -22.881 1.00 14.40 C ATOM 290 O GLY A 17 -11.649 15.213 -23.943 1.00 13.43 O ATOM 0 H GLY A 17 -11.605 13.167 -20.672 1.00 40.44 H new ATOM 0 HA2 GLY A 17 -12.617 15.718 -21.537 1.00 44.01 H new ATOM 0 HA3 GLY A 17 -11.092 15.371 -20.747 1.00 44.01 H new ATOM 294 N ARG A 18 -9.709 15.394 -22.817 1.00 31.20 N ATOM 295 CA ARG A 18 -8.902 15.570 -24.018 1.00 41.02 C ATOM 296 C ARG A 18 -7.429 15.295 -23.729 1.00 32.12 C ATOM 297 O ARG A 18 -6.546 15.780 -24.435 1.00 71.50 O ATOM 298 CB ARG A 18 -9.069 16.988 -24.567 1.00 4.31 C ATOM 299 CG ARG A 18 -8.726 18.075 -23.561 1.00 22.23 C ATOM 300 CD ARG A 18 -8.902 19.462 -24.157 1.00 51.34 C ATOM 301 NE ARG A 18 -8.834 20.508 -23.140 1.00 45.25 N ATOM 302 CZ ARG A 18 -8.913 21.806 -23.414 1.00 62.31 C ATOM 303 NH1 ARG A 18 -9.063 22.214 -24.666 1.00 50.54 N ATOM 304 NH2 ARG A 18 -8.842 22.697 -22.434 1.00 13.21 N ATOM 0 H ARG A 18 -9.178 15.409 -21.946 1.00 31.20 H new ATOM 0 HA ARG A 18 -9.247 14.855 -24.765 1.00 41.02 H new ATOM 0 HB2 ARG A 18 -8.435 17.105 -25.446 1.00 4.31 H new ATOM 0 HB3 ARG A 18 -10.099 17.122 -24.897 1.00 4.31 H new ATOM 0 HG2 ARG A 18 -9.362 17.972 -22.682 1.00 22.23 H new ATOM 0 HG3 ARG A 18 -7.696 17.950 -23.226 1.00 22.23 H new ATOM 0 HD2 ARG A 18 -8.130 19.635 -24.907 1.00 51.34 H new ATOM 0 HD3 ARG A 18 -9.862 19.517 -24.670 1.00 51.34 H new ATOM 0 HE ARG A 18 -8.720 20.227 -22.166 1.00 45.25 H new ATOM 0 HH11 ARG A 18 -9.118 21.531 -25.422 1.00 50.54 H new ATOM 0 HH12 ARG A 18 -9.123 23.211 -24.874 1.00 50.54 H new ATOM 0 HH21 ARG A 18 -8.727 22.386 -21.469 1.00 13.21 H new ATOM 0 HH22 ARG A 18 -8.903 23.693 -22.645 1.00 13.21 H new ATOM 318 N GLY A 19 -7.172 14.513 -22.684 1.00 54.50 N ATOM 319 CA GLY A 19 -5.806 14.188 -22.319 1.00 51.01 C ATOM 320 C GLY A 19 -4.904 15.406 -22.307 1.00 25.21 C ATOM 321 O GLY A 19 -5.379 16.540 -22.358 1.00 4.32 O ATOM 0 H GLY A 19 -7.886 14.099 -22.084 1.00 54.50 H new ATOM 0 HA2 GLY A 19 -5.797 13.724 -21.333 1.00 51.01 H new ATOM 0 HA3 GLY A 19 -5.411 13.454 -23.021 1.00 51.01 H new ATOM 325 N VAL A 20 -3.597 15.171 -22.238 1.00 1.45 N ATOM 326 CA VAL A 20 -2.625 16.258 -22.218 1.00 12.31 C ATOM 327 C VAL A 20 -2.107 16.557 -23.620 1.00 45.00 C ATOM 328 O VAL A 20 -2.336 17.630 -24.178 1.00 44.30 O ATOM 329 CB VAL A 20 -1.433 15.929 -21.301 1.00 24.53 C ATOM 330 CG1 VAL A 20 -0.195 16.698 -21.736 1.00 51.40 C ATOM 331 CG2 VAL A 20 -1.777 16.232 -19.850 1.00 43.03 C ATOM 0 H VAL A 20 -3.187 14.238 -22.195 1.00 1.45 H new ATOM 0 HA VAL A 20 -3.140 17.136 -21.829 1.00 12.31 H new ATOM 0 HB VAL A 20 -1.217 14.864 -21.384 1.00 24.53 H new ATOM 0 HG11 VAL A 20 0.637 16.452 -21.076 1.00 51.40 H new ATOM 0 HG12 VAL A 20 0.062 16.426 -22.760 1.00 51.40 H new ATOM 0 HG13 VAL A 20 -0.395 17.768 -21.685 1.00 51.40 H new ATOM 0 HG21 VAL A 20 -0.923 15.993 -19.216 1.00 43.03 H new ATOM 0 HG22 VAL A 20 -2.021 17.289 -19.747 1.00 43.03 H new ATOM 0 HG23 VAL A 20 -2.634 15.631 -19.546 1.00 43.03 H new ATOM 341 N PRO A 21 -1.390 15.586 -24.205 1.00 74.44 N ATOM 342 CA PRO A 21 -0.825 15.721 -25.551 1.00 63.50 C ATOM 343 C PRO A 21 -1.898 15.717 -26.634 1.00 70.31 C ATOM 344 O PRO A 21 -1.856 16.520 -27.565 1.00 72.32 O ATOM 345 CB PRO A 21 0.073 14.488 -25.684 1.00 21.25 C ATOM 346 CG PRO A 21 -0.513 13.489 -24.746 1.00 54.52 C ATOM 347 CD PRO A 21 -1.078 14.281 -23.599 1.00 33.41 C ATOM 0 HA PRO A 21 -0.297 16.666 -25.678 1.00 63.50 H new ATOM 0 HB2 PRO A 21 0.081 14.113 -26.707 1.00 21.25 H new ATOM 0 HB3 PRO A 21 1.105 14.720 -25.421 1.00 21.25 H new ATOM 0 HG2 PRO A 21 -1.290 12.903 -25.236 1.00 54.52 H new ATOM 0 HG3 PRO A 21 0.245 12.787 -24.400 1.00 54.52 H new ATOM 0 HD2 PRO A 21 -1.968 13.808 -23.184 1.00 33.41 H new ATOM 0 HD3 PRO A 21 -0.359 14.378 -22.785 1.00 33.41 H new ATOM 355 N ASN A 22 -2.859 14.808 -26.505 1.00 71.33 N ATOM 356 CA ASN A 22 -3.944 14.700 -27.474 1.00 21.20 C ATOM 357 C ASN A 22 -3.444 14.994 -28.885 1.00 54.12 C ATOM 358 O ASN A 22 -3.556 16.118 -29.373 1.00 11.02 O ATOM 359 CB ASN A 22 -5.077 15.662 -27.111 1.00 71.31 C ATOM 360 CG ASN A 22 -4.567 17.034 -26.718 1.00 4.50 C ATOM 361 OD1 ASN A 22 -4.093 17.798 -27.560 1.00 75.42 O ATOM 362 ND2 ASN A 22 -4.660 17.355 -25.433 1.00 32.44 N ATOM 0 H ASN A 22 -2.909 14.136 -25.739 1.00 71.33 H new ATOM 0 HA ASN A 22 -4.322 13.678 -27.447 1.00 21.20 H new ATOM 0 HB2 ASN A 22 -5.754 15.759 -27.960 1.00 71.31 H new ATOM 0 HB3 ASN A 22 -5.656 15.243 -26.288 1.00 71.31 H new ATOM 0 HD21 ASN A 22 -4.332 18.265 -25.110 1.00 32.44 H new ATOM 0 HD22 ASN A 22 -5.060 16.692 -24.769 1.00 32.44 H new ATOM 369 N GLY A 23 -2.893 13.975 -29.537 1.00 30.52 N ATOM 370 CA GLY A 23 -2.385 14.144 -30.886 1.00 30.24 C ATOM 371 C GLY A 23 -2.224 12.824 -31.614 1.00 41.43 C ATOM 372 O GLY A 23 -3.078 11.944 -31.513 1.00 34.41 O ATOM 0 H GLY A 23 -2.789 13.035 -29.155 1.00 30.52 H new ATOM 0 HA2 GLY A 23 -3.063 14.785 -31.449 1.00 30.24 H new ATOM 0 HA3 GLY A 23 -1.422 14.654 -30.847 1.00 30.24 H new ATOM 376 N ILE A 24 -1.127 12.688 -32.352 1.00 32.22 N ATOM 377 CA ILE A 24 -0.858 11.467 -33.101 1.00 30.44 C ATOM 378 C ILE A 24 -0.486 10.320 -32.167 1.00 21.11 C ATOM 379 O ILE A 24 -1.029 9.218 -32.249 1.00 13.20 O ATOM 380 CB ILE A 24 0.277 11.671 -34.122 1.00 35.11 C ATOM 381 CG1 ILE A 24 0.335 13.134 -34.566 1.00 60.11 C ATOM 382 CG2 ILE A 24 0.081 10.755 -35.321 1.00 2.11 C ATOM 383 CD1 ILE A 24 1.416 13.933 -33.873 1.00 43.01 C ATOM 0 H ILE A 24 -0.411 13.408 -32.447 1.00 32.22 H new ATOM 0 HA ILE A 24 -1.775 11.216 -33.634 1.00 30.44 H new ATOM 0 HB ILE A 24 1.224 11.417 -33.647 1.00 35.11 H new ATOM 0 HG12 ILE A 24 0.500 13.172 -35.643 1.00 60.11 H new ATOM 0 HG13 ILE A 24 -0.631 13.602 -34.375 1.00 60.11 H new ATOM 0 HG21 ILE A 24 0.891 10.911 -36.034 1.00 2.11 H new ATOM 0 HG22 ILE A 24 0.084 9.717 -34.990 1.00 2.11 H new ATOM 0 HG23 ILE A 24 -0.872 10.981 -35.799 1.00 2.11 H new ATOM 0 HD11 ILE A 24 1.399 14.960 -34.237 1.00 43.01 H new ATOM 0 HD12 ILE A 24 1.241 13.926 -32.797 1.00 43.01 H new ATOM 0 HD13 ILE A 24 2.389 13.489 -34.085 1.00 43.01 H new ATOM 395 N PRO A 25 0.462 10.583 -31.255 1.00 41.12 N ATOM 396 CA PRO A 25 0.927 9.586 -30.286 1.00 13.41 C ATOM 397 C PRO A 25 -0.131 9.262 -29.236 1.00 64.43 C ATOM 398 O PRO A 25 0.100 8.450 -28.340 1.00 55.22 O ATOM 399 CB PRO A 25 2.137 10.262 -29.635 1.00 74.41 C ATOM 400 CG PRO A 25 1.888 11.722 -29.797 1.00 64.54 C ATOM 401 CD PRO A 25 1.153 11.874 -31.100 1.00 50.21 C ATOM 0 HA PRO A 25 1.158 8.632 -30.761 1.00 13.41 H new ATOM 0 HB2 PRO A 25 2.224 9.990 -28.583 1.00 74.41 H new ATOM 0 HB3 PRO A 25 3.066 9.963 -30.120 1.00 74.41 H new ATOM 0 HG2 PRO A 25 1.297 12.112 -28.968 1.00 64.54 H new ATOM 0 HG3 PRO A 25 2.825 12.279 -29.810 1.00 64.54 H new ATOM 0 HD2 PRO A 25 0.449 12.705 -31.069 1.00 50.21 H new ATOM 0 HD3 PRO A 25 1.837 12.066 -31.927 1.00 50.21 H new ATOM 409 N ALA A 26 -1.290 9.900 -29.354 1.00 12.21 N ATOM 410 CA ALA A 26 -2.384 9.677 -28.416 1.00 62.14 C ATOM 411 C ALA A 26 -3.155 8.408 -28.764 1.00 64.11 C ATOM 412 O ALA A 26 -3.485 7.612 -27.886 1.00 64.41 O ATOM 413 CB ALA A 26 -3.319 10.877 -28.401 1.00 2.14 C ATOM 0 H ALA A 26 -1.496 10.576 -30.090 1.00 12.21 H new ATOM 0 HA ALA A 26 -1.957 9.550 -27.421 1.00 62.14 H new ATOM 0 HB1 ALA A 26 -4.131 10.697 -27.697 1.00 2.14 H new ATOM 0 HB2 ALA A 26 -2.766 11.766 -28.097 1.00 2.14 H new ATOM 0 HB3 ALA A 26 -3.731 11.030 -29.398 1.00 2.14 H new ATOM 419 N GLU A 27 -3.439 8.227 -30.050 1.00 45.12 N ATOM 420 CA GLU A 27 -4.172 7.055 -30.512 1.00 73.23 C ATOM 421 C GLU A 27 -3.242 5.854 -30.661 1.00 40.41 C ATOM 422 O GLU A 27 -3.596 4.733 -30.298 1.00 22.51 O ATOM 423 CB GLU A 27 -4.860 7.350 -31.847 1.00 60.51 C ATOM 424 CG GLU A 27 -4.026 8.206 -32.785 1.00 72.34 C ATOM 425 CD GLU A 27 -4.236 7.847 -34.244 1.00 24.33 C ATOM 426 OE1 GLU A 27 -5.406 7.748 -34.667 1.00 73.25 O ATOM 427 OE2 GLU A 27 -3.230 7.664 -34.961 1.00 3.43 O ATOM 0 H GLU A 27 -3.173 8.877 -30.790 1.00 45.12 H new ATOM 0 HA GLU A 27 -4.929 6.815 -29.766 1.00 73.23 H new ATOM 0 HB2 GLU A 27 -5.095 6.407 -32.341 1.00 60.51 H new ATOM 0 HB3 GLU A 27 -5.807 7.854 -31.655 1.00 60.51 H new ATOM 0 HG2 GLU A 27 -4.277 9.256 -32.633 1.00 72.34 H new ATOM 0 HG3 GLU A 27 -2.971 8.091 -32.535 1.00 72.34 H new ATOM 434 N ASP A 28 -2.052 6.099 -31.198 1.00 42.01 N ATOM 435 CA ASP A 28 -1.069 5.039 -31.395 1.00 55.31 C ATOM 436 C ASP A 28 -0.635 4.446 -30.059 1.00 22.04 C ATOM 437 O ASP A 28 -0.301 3.264 -29.972 1.00 11.30 O ATOM 438 CB ASP A 28 0.148 5.577 -32.149 1.00 20.13 C ATOM 439 CG ASP A 28 -0.237 6.510 -33.280 1.00 2.23 C ATOM 440 OD1 ASP A 28 -1.291 6.277 -33.908 1.00 4.52 O ATOM 441 OD2 ASP A 28 0.516 7.473 -33.537 1.00 62.14 O ATOM 0 H ASP A 28 -1.744 7.022 -31.505 1.00 42.01 H new ATOM 0 HA ASP A 28 -1.534 4.251 -31.987 1.00 55.31 H new ATOM 0 HB2 ASP A 28 0.799 6.105 -31.452 1.00 20.13 H new ATOM 0 HB3 ASP A 28 0.721 4.741 -32.550 1.00 20.13 H new ATOM 446 N SER A 29 -0.640 5.274 -29.019 1.00 53.53 N ATOM 447 CA SER A 29 -0.242 4.833 -27.688 1.00 1.12 C ATOM 448 C SER A 29 -1.341 3.994 -27.042 1.00 44.40 C ATOM 449 O SER A 29 -1.072 2.944 -26.459 1.00 54.44 O ATOM 450 CB SER A 29 0.081 6.039 -26.803 1.00 65.23 C ATOM 451 OG SER A 29 1.357 6.573 -27.115 1.00 33.41 O ATOM 0 H SER A 29 -0.916 6.255 -29.073 1.00 53.53 H new ATOM 0 HA SER A 29 0.651 4.216 -27.789 1.00 1.12 H new ATOM 0 HB2 SER A 29 -0.681 6.807 -26.937 1.00 65.23 H new ATOM 0 HB3 SER A 29 0.054 5.742 -25.754 1.00 65.23 H new ATOM 0 HG SER A 29 1.250 7.455 -27.529 1.00 33.41 H new ATOM 457 N GLU A 30 -2.578 4.467 -27.151 1.00 14.13 N ATOM 458 CA GLU A 30 -3.718 3.761 -26.577 1.00 0.33 C ATOM 459 C GLU A 30 -3.844 2.360 -27.168 1.00 0.04 C ATOM 460 O GLU A 30 -4.354 1.447 -26.520 1.00 33.51 O ATOM 461 CB GLU A 30 -5.008 4.547 -26.820 1.00 51.20 C ATOM 462 CG GLU A 30 -5.733 4.938 -25.543 1.00 4.40 C ATOM 463 CD GLU A 30 -4.781 5.324 -24.427 1.00 41.33 C ATOM 464 OE1 GLU A 30 -3.735 5.939 -24.726 1.00 73.41 O ATOM 465 OE2 GLU A 30 -5.081 5.012 -23.256 1.00 51.21 O ATOM 0 H GLU A 30 -2.817 5.335 -27.631 1.00 14.13 H new ATOM 0 HA GLU A 30 -3.553 3.670 -25.503 1.00 0.33 H new ATOM 0 HB2 GLU A 30 -4.773 5.449 -27.385 1.00 51.20 H new ATOM 0 HB3 GLU A 30 -5.677 3.949 -27.439 1.00 51.20 H new ATOM 0 HG2 GLU A 30 -6.402 5.773 -25.750 1.00 4.40 H new ATOM 0 HG3 GLU A 30 -6.355 4.106 -25.213 1.00 4.40 H new ATOM 472 N GLN A 31 -3.376 2.200 -28.401 1.00 44.11 N ATOM 473 CA GLN A 31 -3.437 0.911 -29.080 1.00 11.11 C ATOM 474 C GLN A 31 -2.818 -0.187 -28.221 1.00 13.44 C ATOM 475 O GLN A 31 -3.360 -1.288 -28.117 1.00 62.12 O ATOM 476 CB GLN A 31 -2.718 0.986 -30.428 1.00 72.00 C ATOM 477 CG GLN A 31 -2.315 -0.372 -30.979 1.00 32.31 C ATOM 478 CD GLN A 31 -2.454 -0.455 -32.486 1.00 64.23 C ATOM 479 OE1 GLN A 31 -3.094 -1.365 -33.013 1.00 72.24 O ATOM 480 NE2 GLN A 31 -1.852 0.497 -33.189 1.00 52.35 N ATOM 0 H GLN A 31 -2.950 2.947 -28.950 1.00 44.11 H new ATOM 0 HA GLN A 31 -4.486 0.667 -29.249 1.00 11.11 H new ATOM 0 HB2 GLN A 31 -3.367 1.483 -31.149 1.00 72.00 H new ATOM 0 HB3 GLN A 31 -1.827 1.604 -30.321 1.00 72.00 H new ATOM 0 HG2 GLN A 31 -1.282 -0.580 -30.701 1.00 32.31 H new ATOM 0 HG3 GLN A 31 -2.931 -1.144 -30.518 1.00 32.31 H new ATOM 0 HE21 GLN A 31 -1.332 1.233 -32.711 1.00 52.35 H new ATOM 0 HE22 GLN A 31 -1.910 0.493 -34.207 1.00 52.35 H new ATOM 489 N LEU A 32 -1.681 0.120 -27.606 1.00 52.33 N ATOM 490 CA LEU A 32 -0.988 -0.841 -26.755 1.00 43.44 C ATOM 491 C LEU A 32 -1.480 -0.747 -25.315 1.00 11.02 C ATOM 492 O LEU A 32 -1.515 -1.744 -24.594 1.00 43.12 O ATOM 493 CB LEU A 32 0.522 -0.601 -26.807 1.00 1.40 C ATOM 494 CG LEU A 32 1.214 -0.955 -28.124 1.00 35.31 C ATOM 495 CD1 LEU A 32 1.309 0.268 -29.023 1.00 31.41 C ATOM 496 CD2 LEU A 32 2.596 -1.536 -27.861 1.00 55.43 C ATOM 0 H LEU A 32 -1.220 1.027 -27.681 1.00 52.33 H new ATOM 0 HA LEU A 32 -1.204 -1.842 -27.128 1.00 43.44 H new ATOM 0 HB2 LEU A 32 0.710 0.451 -26.593 1.00 1.40 H new ATOM 0 HB3 LEU A 32 0.989 -1.177 -26.008 1.00 1.40 H new ATOM 0 HG LEU A 32 0.616 -1.710 -28.635 1.00 35.31 H new ATOM 0 HD11 LEU A 32 1.804 -0.003 -29.955 1.00 31.41 H new ATOM 0 HD12 LEU A 32 0.307 0.640 -29.239 1.00 31.41 H new ATOM 0 HD13 LEU A 32 1.884 1.046 -28.520 1.00 31.41 H new ATOM 0 HD21 LEU A 32 3.074 -1.782 -28.809 1.00 55.43 H new ATOM 0 HD22 LEU A 32 3.203 -0.804 -27.328 1.00 55.43 H new ATOM 0 HD23 LEU A 32 2.502 -2.438 -27.257 1.00 55.43 H new ATOM 508 N ALA A 33 -1.862 0.457 -24.902 1.00 51.45 N ATOM 509 CA ALA A 33 -2.357 0.680 -23.550 1.00 2.34 C ATOM 510 C ALA A 33 -3.635 -0.112 -23.295 1.00 5.12 C ATOM 511 O ALA A 33 -3.806 -0.706 -22.231 1.00 21.34 O ATOM 512 CB ALA A 33 -2.597 2.164 -23.314 1.00 14.04 C ATOM 0 H ALA A 33 -1.838 1.293 -25.485 1.00 51.45 H new ATOM 0 HA ALA A 33 -1.599 0.330 -22.850 1.00 2.34 H new ATOM 0 HB1 ALA A 33 -2.967 2.316 -22.300 1.00 14.04 H new ATOM 0 HB2 ALA A 33 -1.662 2.709 -23.445 1.00 14.04 H new ATOM 0 HB3 ALA A 33 -3.334 2.531 -24.028 1.00 14.04 H new ATOM 518 N SER A 34 -4.529 -0.115 -24.278 1.00 33.32 N ATOM 519 CA SER A 34 -5.794 -0.831 -24.158 1.00 30.02 C ATOM 520 C SER A 34 -5.556 -2.314 -23.892 1.00 23.34 C ATOM 521 O SER A 34 -6.211 -2.917 -23.043 1.00 32.40 O ATOM 522 CB SER A 34 -6.626 -0.657 -25.430 1.00 44.20 C ATOM 523 OG SER A 34 -6.736 0.711 -25.784 1.00 21.01 O ATOM 0 H SER A 34 -4.401 0.370 -25.166 1.00 33.32 H new ATOM 0 HA SER A 34 -6.341 -0.411 -23.314 1.00 30.02 H new ATOM 0 HB2 SER A 34 -6.166 -1.212 -26.248 1.00 44.20 H new ATOM 0 HB3 SER A 34 -7.620 -1.078 -25.279 1.00 44.20 H new ATOM 0 HG SER A 34 -6.017 0.947 -26.407 1.00 21.01 H new ATOM 529 N GLY A 35 -4.611 -2.897 -24.625 1.00 13.55 N ATOM 530 CA GLY A 35 -4.302 -4.304 -24.454 1.00 32.12 C ATOM 531 C GLY A 35 -3.557 -4.582 -23.163 1.00 54.21 C ATOM 532 O GLY A 35 -3.646 -5.679 -22.612 1.00 54.41 O ATOM 0 H GLY A 35 -4.055 -2.419 -25.334 1.00 13.55 H new ATOM 0 HA2 GLY A 35 -5.227 -4.880 -24.467 1.00 32.12 H new ATOM 0 HA3 GLY A 35 -3.702 -4.646 -25.297 1.00 32.12 H new ATOM 536 N GLN A 36 -2.820 -3.586 -22.681 1.00 71.53 N ATOM 537 CA GLN A 36 -2.055 -3.731 -21.449 1.00 1.35 C ATOM 538 C GLN A 36 -2.958 -3.592 -20.228 1.00 34.33 C ATOM 539 O GLN A 36 -2.632 -4.076 -19.145 1.00 24.24 O ATOM 540 CB GLN A 36 -0.938 -2.687 -21.392 1.00 23.32 C ATOM 541 CG GLN A 36 0.274 -3.047 -22.237 1.00 53.50 C ATOM 542 CD GLN A 36 1.095 -1.833 -22.626 1.00 13.12 C ATOM 543 OE1 GLN A 36 0.553 -0.752 -22.862 1.00 23.43 O ATOM 544 NE2 GLN A 36 2.410 -2.005 -22.695 1.00 13.45 N ATOM 0 H GLN A 36 -2.737 -2.671 -23.125 1.00 71.53 H new ATOM 0 HA GLN A 36 -1.613 -4.727 -21.441 1.00 1.35 H new ATOM 0 HB2 GLN A 36 -1.332 -1.727 -21.726 1.00 23.32 H new ATOM 0 HB3 GLN A 36 -0.624 -2.559 -20.356 1.00 23.32 H new ATOM 0 HG2 GLN A 36 0.903 -3.745 -21.684 1.00 53.50 H new ATOM 0 HG3 GLN A 36 -0.057 -3.562 -23.139 1.00 53.50 H new ATOM 0 HE21 GLN A 36 2.816 -2.918 -22.491 1.00 13.45 H new ATOM 0 HE22 GLN A 36 3.014 -1.224 -22.952 1.00 13.45 H new ATOM 553 N GLU A 37 -4.095 -2.928 -20.411 1.00 74.32 N ATOM 554 CA GLU A 37 -5.045 -2.726 -19.323 1.00 50.33 C ATOM 555 C GLU A 37 -5.605 -4.059 -18.835 1.00 1.54 C ATOM 556 O GLU A 37 -6.160 -4.147 -17.740 1.00 3.33 O ATOM 557 CB GLU A 37 -6.188 -1.816 -19.777 1.00 52.43 C ATOM 558 CG GLU A 37 -5.808 -0.346 -19.838 1.00 54.42 C ATOM 559 CD GLU A 37 -6.519 0.395 -20.954 1.00 73.12 C ATOM 560 OE1 GLU A 37 -7.687 0.059 -21.240 1.00 74.32 O ATOM 561 OE2 GLU A 37 -5.907 1.311 -21.542 1.00 3.25 O ATOM 0 H GLU A 37 -4.381 -2.521 -21.302 1.00 74.32 H new ATOM 0 HA GLU A 37 -4.517 -2.249 -18.497 1.00 50.33 H new ATOM 0 HB2 GLU A 37 -6.527 -2.136 -20.762 1.00 52.43 H new ATOM 0 HB3 GLU A 37 -7.030 -1.937 -19.096 1.00 52.43 H new ATOM 0 HG2 GLU A 37 -6.045 0.126 -18.885 1.00 54.42 H new ATOM 0 HG3 GLU A 37 -4.731 -0.259 -19.978 1.00 54.42 H new ATOM 568 N ALA A 38 -5.455 -5.093 -19.655 1.00 73.14 N ATOM 569 CA ALA A 38 -5.944 -6.421 -19.307 1.00 60.41 C ATOM 570 C ALA A 38 -5.379 -6.880 -17.967 1.00 34.21 C ATOM 571 O ALA A 38 -5.905 -7.802 -17.344 1.00 4.22 O ATOM 572 CB ALA A 38 -5.589 -7.418 -20.401 1.00 3.14 C ATOM 0 H ALA A 38 -4.999 -5.037 -20.565 1.00 73.14 H new ATOM 0 HA ALA A 38 -7.029 -6.369 -19.216 1.00 60.41 H new ATOM 0 HB1 ALA A 38 -5.960 -8.406 -20.128 1.00 3.14 H new ATOM 0 HB2 ALA A 38 -6.046 -7.106 -21.340 1.00 3.14 H new ATOM 0 HB3 ALA A 38 -4.506 -7.458 -20.520 1.00 3.14 H new ATOM 578 N GLY A 39 -4.305 -6.231 -17.529 1.00 1.21 N ATOM 579 CA GLY A 39 -3.687 -6.587 -16.265 1.00 65.44 C ATOM 580 C GLY A 39 -4.706 -6.860 -15.177 1.00 51.23 C ATOM 581 O GLY A 39 -5.320 -5.934 -14.646 1.00 44.12 O ATOM 0 H GLY A 39 -3.852 -5.465 -18.027 1.00 1.21 H new ATOM 0 HA2 GLY A 39 -3.064 -7.471 -16.405 1.00 65.44 H new ATOM 0 HA3 GLY A 39 -3.028 -5.780 -15.946 1.00 65.44 H new ATOM 585 N ASP A 40 -4.889 -8.133 -14.846 1.00 31.02 N ATOM 586 CA ASP A 40 -5.842 -8.525 -13.814 1.00 74.12 C ATOM 587 C ASP A 40 -5.588 -7.759 -12.520 1.00 24.44 C ATOM 588 O ASP A 40 -6.495 -7.176 -11.926 1.00 3.20 O ATOM 589 CB ASP A 40 -5.757 -10.030 -13.556 1.00 70.33 C ATOM 590 CG ASP A 40 -6.730 -10.820 -14.410 1.00 11.14 C ATOM 591 OD1 ASP A 40 -7.205 -10.274 -15.427 1.00 13.53 O ATOM 592 OD2 ASP A 40 -7.017 -11.984 -14.060 1.00 30.13 O ATOM 0 H ASP A 40 -4.390 -8.911 -15.277 1.00 31.02 H new ATOM 0 HA ASP A 40 -6.844 -8.281 -14.168 1.00 74.12 H new ATOM 0 HB2 ASP A 40 -4.742 -10.373 -13.755 1.00 70.33 H new ATOM 0 HB3 ASP A 40 -5.959 -10.227 -12.503 1.00 70.33 H new ATOM 597 N PRO A 41 -4.324 -7.761 -12.069 1.00 71.44 N ATOM 598 CA PRO A 41 -3.921 -7.072 -10.840 1.00 64.02 C ATOM 599 C PRO A 41 -3.971 -5.555 -10.983 1.00 41.34 C ATOM 600 O PRO A 41 -4.182 -5.031 -12.077 1.00 21.25 O ATOM 601 CB PRO A 41 -2.479 -7.542 -10.627 1.00 14.41 C ATOM 602 CG PRO A 41 -1.994 -7.906 -11.988 1.00 13.44 C ATOM 603 CD PRO A 41 -3.192 -8.436 -12.726 1.00 20.30 C ATOM 0 HA PRO A 41 -4.586 -7.301 -10.007 1.00 64.02 H new ATOM 0 HB2 PRO A 41 -1.867 -6.755 -10.186 1.00 14.41 H new ATOM 0 HB3 PRO A 41 -2.437 -8.395 -9.950 1.00 14.41 H new ATOM 0 HG2 PRO A 41 -1.574 -7.039 -12.498 1.00 13.44 H new ATOM 0 HG3 PRO A 41 -1.206 -8.657 -11.934 1.00 13.44 H new ATOM 0 HD2 PRO A 41 -3.146 -8.200 -13.789 1.00 20.30 H new ATOM 0 HD3 PRO A 41 -3.268 -9.520 -12.643 1.00 20.30 H new ATOM 611 N GLY A 42 -3.775 -4.853 -9.871 1.00 40.11 N ATOM 612 CA GLY A 42 -3.802 -3.402 -9.895 1.00 24.10 C ATOM 613 C GLY A 42 -2.466 -2.804 -10.291 1.00 73.20 C ATOM 614 O GLY A 42 -2.385 -1.625 -10.638 1.00 60.35 O ATOM 0 H GLY A 42 -3.598 -5.263 -8.954 1.00 40.11 H new ATOM 0 HA2 GLY A 42 -4.568 -3.067 -10.594 1.00 24.10 H new ATOM 0 HA3 GLY A 42 -4.085 -3.031 -8.910 1.00 24.10 H new ATOM 618 N CYS A 43 -1.417 -3.617 -10.237 1.00 41.25 N ATOM 619 CA CYS A 43 -0.077 -3.160 -10.591 1.00 75.33 C ATOM 620 C CYS A 43 -0.039 -2.650 -12.028 1.00 41.10 C ATOM 621 O CYS A 43 0.888 -1.940 -12.421 1.00 72.15 O ATOM 622 CB CYS A 43 0.934 -4.293 -10.412 1.00 71.55 C ATOM 623 SG CYS A 43 0.660 -5.706 -11.507 1.00 65.50 S ATOM 0 H CYS A 43 -1.468 -4.595 -9.952 1.00 41.25 H new ATOM 0 HA CYS A 43 0.188 -2.338 -9.926 1.00 75.33 H new ATOM 0 HB2 CYS A 43 1.937 -3.902 -10.585 1.00 71.55 H new ATOM 0 HB3 CYS A 43 0.900 -4.636 -9.378 1.00 71.55 H new ATOM 0 HG CYS A 43 1.566 -6.611 -11.283 1.00 65.50 H new ATOM 629 N LEU A 44 -1.050 -3.017 -12.808 1.00 3.21 N ATOM 630 CA LEU A 44 -1.131 -2.597 -14.203 1.00 32.42 C ATOM 631 C LEU A 44 -1.851 -1.258 -14.328 1.00 25.24 C ATOM 632 O LEU A 44 -1.729 -0.567 -15.340 1.00 21.54 O ATOM 633 CB LEU A 44 -1.856 -3.658 -15.033 1.00 72.01 C ATOM 634 CG LEU A 44 -1.246 -3.973 -16.399 1.00 72.43 C ATOM 635 CD1 LEU A 44 -0.896 -2.690 -17.137 1.00 24.35 C ATOM 636 CD2 LEU A 44 -0.015 -4.854 -16.243 1.00 71.32 C ATOM 0 H LEU A 44 -1.825 -3.604 -12.499 1.00 3.21 H new ATOM 0 HA LEU A 44 -0.116 -2.479 -14.581 1.00 32.42 H new ATOM 0 HB2 LEU A 44 -1.895 -4.580 -14.453 1.00 72.01 H new ATOM 0 HB3 LEU A 44 -2.885 -3.332 -15.183 1.00 72.01 H new ATOM 0 HG LEU A 44 -1.985 -4.516 -16.988 1.00 72.43 H new ATOM 0 HD11 LEU A 44 -0.463 -2.935 -18.107 1.00 24.35 H new ATOM 0 HD12 LEU A 44 -1.798 -2.096 -17.282 1.00 24.35 H new ATOM 0 HD13 LEU A 44 -0.175 -2.119 -16.552 1.00 24.35 H new ATOM 0 HD21 LEU A 44 0.406 -5.068 -17.225 1.00 71.32 H new ATOM 0 HD22 LEU A 44 0.727 -4.337 -15.635 1.00 71.32 H new ATOM 0 HD23 LEU A 44 -0.296 -5.788 -15.757 1.00 71.32 H new ATOM 648 N LYS A 45 -2.599 -0.896 -13.291 1.00 41.43 N ATOM 649 CA LYS A 45 -3.336 0.363 -13.282 1.00 63.40 C ATOM 650 C LYS A 45 -2.391 1.548 -13.452 1.00 24.24 C ATOM 651 O LYS A 45 -2.648 2.472 -14.223 1.00 44.12 O ATOM 652 CB LYS A 45 -4.123 0.507 -11.977 1.00 64.14 C ATOM 653 CG LYS A 45 -5.568 0.926 -12.182 1.00 51.22 C ATOM 654 CD LYS A 45 -6.530 -0.191 -11.814 1.00 12.43 C ATOM 655 CE LYS A 45 -6.748 -1.145 -12.978 1.00 35.03 C ATOM 656 NZ LYS A 45 -7.237 -2.475 -12.520 1.00 70.32 N ATOM 0 H LYS A 45 -2.711 -1.456 -12.446 1.00 41.43 H new ATOM 0 HA LYS A 45 -4.033 0.354 -14.120 1.00 63.40 H new ATOM 0 HB2 LYS A 45 -4.101 -0.443 -11.443 1.00 64.14 H new ATOM 0 HB3 LYS A 45 -3.627 1.241 -11.342 1.00 64.14 H new ATOM 0 HG2 LYS A 45 -5.782 1.806 -11.576 1.00 51.22 H new ATOM 0 HG3 LYS A 45 -5.721 1.211 -13.223 1.00 51.22 H new ATOM 0 HD2 LYS A 45 -6.139 -0.742 -10.959 1.00 12.43 H new ATOM 0 HD3 LYS A 45 -7.485 0.236 -11.508 1.00 12.43 H new ATOM 0 HE2 LYS A 45 -7.468 -0.712 -13.672 1.00 35.03 H new ATOM 0 HE3 LYS A 45 -5.814 -1.270 -13.525 1.00 35.03 H new ATOM 0 HZ1 LYS A 45 -7.373 -3.097 -13.342 1.00 70.32 H new ATOM 0 HZ2 LYS A 45 -6.538 -2.899 -11.877 1.00 70.32 H new ATOM 0 HZ3 LYS A 45 -8.141 -2.359 -12.020 1.00 70.32 H new ATOM 670 N PRO A 46 -1.270 1.522 -12.716 1.00 25.13 N ATOM 671 CA PRO A 46 -0.263 2.586 -12.769 1.00 64.02 C ATOM 672 C PRO A 46 0.491 2.605 -14.095 1.00 21.44 C ATOM 673 O PRO A 46 1.049 3.630 -14.489 1.00 71.40 O ATOM 674 CB PRO A 46 0.685 2.235 -11.620 1.00 5.32 C ATOM 675 CG PRO A 46 0.534 0.764 -11.439 1.00 14.53 C ATOM 676 CD PRO A 46 -0.898 0.452 -11.775 1.00 33.50 C ATOM 0 HA PRO A 46 -0.711 3.576 -12.683 1.00 64.02 H new ATOM 0 HB2 PRO A 46 1.714 2.500 -11.861 1.00 5.32 H new ATOM 0 HB3 PRO A 46 0.421 2.775 -10.710 1.00 5.32 H new ATOM 0 HG2 PRO A 46 1.216 0.218 -12.091 1.00 14.53 H new ATOM 0 HG3 PRO A 46 0.768 0.470 -10.416 1.00 14.53 H new ATOM 0 HD2 PRO A 46 -0.998 -0.534 -12.228 1.00 33.50 H new ATOM 0 HD3 PRO A 46 -1.530 0.461 -10.887 1.00 33.50 H new ATOM 684 N LEU A 47 0.504 1.466 -14.779 1.00 31.14 N ATOM 685 CA LEU A 47 1.189 1.351 -16.061 1.00 43.53 C ATOM 686 C LEU A 47 0.265 1.744 -17.209 1.00 72.55 C ATOM 687 O LEU A 47 0.721 2.186 -18.264 1.00 71.35 O ATOM 688 CB LEU A 47 1.697 -0.077 -16.265 1.00 73.11 C ATOM 689 CG LEU A 47 3.174 -0.219 -16.632 1.00 43.55 C ATOM 690 CD1 LEU A 47 3.913 -1.022 -15.573 1.00 42.43 C ATOM 691 CD2 LEU A 47 3.324 -0.870 -17.999 1.00 71.24 C ATOM 0 H LEU A 47 0.048 0.609 -14.467 1.00 31.14 H new ATOM 0 HA LEU A 47 2.039 2.034 -16.053 1.00 43.53 H new ATOM 0 HB2 LEU A 47 1.515 -0.640 -15.349 1.00 73.11 H new ATOM 0 HB3 LEU A 47 1.102 -0.544 -17.050 1.00 73.11 H new ATOM 0 HG LEU A 47 3.615 0.777 -16.676 1.00 43.55 H new ATOM 0 HD11 LEU A 47 4.963 -1.112 -15.852 1.00 42.43 H new ATOM 0 HD12 LEU A 47 3.835 -0.515 -14.611 1.00 42.43 H new ATOM 0 HD13 LEU A 47 3.471 -2.015 -15.496 1.00 42.43 H new ATOM 0 HD21 LEU A 47 4.382 -0.963 -18.244 1.00 71.24 H new ATOM 0 HD22 LEU A 47 2.867 -1.859 -17.983 1.00 71.24 H new ATOM 0 HD23 LEU A 47 2.830 -0.255 -18.751 1.00 71.24 H new ATOM 703 N HIS A 48 -1.037 1.580 -16.996 1.00 51.54 N ATOM 704 CA HIS A 48 -2.027 1.920 -18.013 1.00 4.13 C ATOM 705 C HIS A 48 -2.393 3.400 -17.941 1.00 61.54 C ATOM 706 O HIS A 48 -2.546 4.060 -18.968 1.00 51.12 O ATOM 707 CB HIS A 48 -3.281 1.063 -17.840 1.00 11.31 C ATOM 708 CG HIS A 48 -4.540 1.864 -17.710 1.00 51.03 C ATOM 709 ND1 HIS A 48 -5.209 2.027 -16.515 1.00 44.23 N ATOM 710 CD2 HIS A 48 -5.252 2.551 -18.635 1.00 23.25 C ATOM 711 CE1 HIS A 48 -6.278 2.778 -16.710 1.00 42.15 C ATOM 712 NE2 HIS A 48 -6.327 3.110 -17.988 1.00 63.51 N ATOM 0 H HIS A 48 -1.431 1.214 -16.129 1.00 51.54 H new ATOM 0 HA HIS A 48 -1.591 1.719 -18.992 1.00 4.13 H new ATOM 0 HB2 HIS A 48 -3.373 0.392 -18.694 1.00 11.31 H new ATOM 0 HB3 HIS A 48 -3.165 0.438 -16.955 1.00 11.31 H new ATOM 0 HD1 HIS A 48 -4.923 1.630 -15.620 1.00 44.23 H new ATOM 0 HD2 HIS A 48 -5.018 2.642 -19.685 1.00 23.25 H new ATOM 0 HE1 HIS A 48 -6.991 3.071 -15.953 1.00 42.15 H new ATOM 720 N GLU A 49 -2.532 3.912 -16.723 1.00 31.24 N ATOM 721 CA GLU A 49 -2.882 5.313 -16.519 1.00 30.40 C ATOM 722 C GLU A 49 -1.912 6.229 -17.259 1.00 23.00 C ATOM 723 O GLU A 49 -2.313 7.235 -17.844 1.00 12.43 O ATOM 724 CB GLU A 49 -2.881 5.650 -15.026 1.00 73.34 C ATOM 725 CG GLU A 49 -1.656 5.139 -14.288 1.00 5.33 C ATOM 726 CD GLU A 49 -0.666 6.243 -13.968 1.00 21.35 C ATOM 727 OE1 GLU A 49 -0.354 7.041 -14.876 1.00 62.20 O ATOM 728 OE2 GLU A 49 -0.204 6.308 -12.809 1.00 45.05 O ATOM 0 H GLU A 49 -2.408 3.378 -15.863 1.00 31.24 H new ATOM 0 HA GLU A 49 -3.883 5.473 -16.919 1.00 30.40 H new ATOM 0 HB2 GLU A 49 -2.942 6.732 -14.906 1.00 73.34 H new ATOM 0 HB3 GLU A 49 -3.774 5.228 -14.566 1.00 73.34 H new ATOM 0 HG2 GLU A 49 -1.969 4.657 -13.362 1.00 5.33 H new ATOM 0 HG3 GLU A 49 -1.163 4.378 -14.893 1.00 5.33 H new ATOM 735 N LYS A 50 -0.632 5.874 -17.229 1.00 22.54 N ATOM 736 CA LYS A 50 0.398 6.661 -17.896 1.00 54.50 C ATOM 737 C LYS A 50 0.044 6.888 -19.363 1.00 23.44 C ATOM 738 O LYS A 50 0.176 7.998 -19.879 1.00 24.44 O ATOM 739 CB LYS A 50 1.754 5.961 -17.789 1.00 42.34 C ATOM 740 CG LYS A 50 2.621 6.124 -19.026 1.00 24.43 C ATOM 741 CD LYS A 50 2.959 7.583 -19.283 1.00 34.24 C ATOM 742 CE LYS A 50 4.285 7.969 -18.646 1.00 31.23 C ATOM 743 NZ LYS A 50 4.384 9.437 -18.417 1.00 32.11 N ATOM 0 H LYS A 50 -0.283 5.045 -16.749 1.00 22.54 H new ATOM 0 HA LYS A 50 0.457 7.630 -17.401 1.00 54.50 H new ATOM 0 HB2 LYS A 50 2.290 6.355 -16.925 1.00 42.34 H new ATOM 0 HB3 LYS A 50 1.592 4.899 -17.606 1.00 42.34 H new ATOM 0 HG2 LYS A 50 3.541 5.553 -18.904 1.00 24.43 H new ATOM 0 HG3 LYS A 50 2.102 5.712 -19.892 1.00 24.43 H new ATOM 0 HD2 LYS A 50 3.004 7.763 -20.357 1.00 34.24 H new ATOM 0 HD3 LYS A 50 2.166 8.217 -18.886 1.00 34.24 H new ATOM 0 HE2 LYS A 50 4.398 7.445 -17.697 1.00 31.23 H new ATOM 0 HE3 LYS A 50 5.104 7.646 -19.288 1.00 31.23 H new ATOM 0 HZ1 LYS A 50 5.302 9.659 -17.982 1.00 32.11 H new ATOM 0 HZ2 LYS A 50 4.302 9.936 -19.326 1.00 32.11 H new ATOM 0 HZ3 LYS A 50 3.618 9.742 -17.784 1.00 32.11 H new ATOM 757 N ASP A 51 -0.406 5.830 -20.028 1.00 32.33 N ATOM 758 CA ASP A 51 -0.781 5.914 -21.434 1.00 72.35 C ATOM 759 C ASP A 51 -2.164 6.539 -21.592 1.00 22.11 C ATOM 760 O ASP A 51 -2.529 6.998 -22.674 1.00 61.43 O ATOM 761 CB ASP A 51 -0.760 4.524 -22.074 1.00 12.43 C ATOM 762 CG ASP A 51 0.450 3.713 -21.655 1.00 33.41 C ATOM 763 OD1 ASP A 51 1.545 3.954 -22.204 1.00 53.01 O ATOM 764 OD2 ASP A 51 0.301 2.835 -20.778 1.00 44.14 O ATOM 0 H ASP A 51 -0.520 4.904 -19.616 1.00 32.33 H new ATOM 0 HA ASP A 51 -0.055 6.550 -21.940 1.00 72.35 H new ATOM 0 HB2 ASP A 51 -1.667 3.986 -21.799 1.00 12.43 H new ATOM 0 HB3 ASP A 51 -0.767 4.627 -23.159 1.00 12.43 H new ATOM 769 N SER A 52 -2.929 6.552 -20.505 1.00 41.31 N ATOM 770 CA SER A 52 -4.273 7.117 -20.524 1.00 34.43 C ATOM 771 C SER A 52 -4.223 8.636 -20.648 1.00 10.40 C ATOM 772 O SER A 52 -5.062 9.243 -21.313 1.00 33.04 O ATOM 773 CB SER A 52 -5.032 6.722 -19.255 1.00 54.13 C ATOM 774 OG SER A 52 -5.553 5.408 -19.360 1.00 52.44 O ATOM 0 H SER A 52 -2.641 6.178 -19.601 1.00 41.31 H new ATOM 0 HA SER A 52 -4.796 6.717 -21.392 1.00 34.43 H new ATOM 0 HB2 SER A 52 -4.366 6.785 -18.395 1.00 54.13 H new ATOM 0 HB3 SER A 52 -5.845 7.426 -19.080 1.00 54.13 H new ATOM 0 HG SER A 52 -5.776 5.072 -18.467 1.00 52.44 H new ATOM 780 N GLU A 53 -3.232 9.244 -20.003 1.00 12.11 N ATOM 781 CA GLU A 53 -3.073 10.693 -20.040 1.00 44.13 C ATOM 782 C GLU A 53 -2.959 11.191 -21.478 1.00 74.04 C ATOM 783 O GLU A 53 -3.517 12.230 -21.832 1.00 65.15 O ATOM 784 CB GLU A 53 -1.835 11.113 -19.245 1.00 23.22 C ATOM 785 CG GLU A 53 -2.029 12.390 -18.445 1.00 53.35 C ATOM 786 CD GLU A 53 -1.316 12.356 -17.108 1.00 32.33 C ATOM 787 OE1 GLU A 53 -1.280 11.275 -16.483 1.00 72.41 O ATOM 788 OE2 GLU A 53 -0.795 13.409 -16.685 1.00 63.42 O ATOM 0 H GLU A 53 -2.528 8.756 -19.449 1.00 12.11 H new ATOM 0 HA GLU A 53 -3.957 11.141 -19.587 1.00 44.13 H new ATOM 0 HB2 GLU A 53 -1.560 10.307 -18.565 1.00 23.22 H new ATOM 0 HB3 GLU A 53 -1.001 11.249 -19.933 1.00 23.22 H new ATOM 0 HG2 GLU A 53 -1.663 13.237 -19.026 1.00 53.35 H new ATOM 0 HG3 GLU A 53 -3.094 12.553 -18.280 1.00 53.35 H new ATOM 795 N SER A 54 -2.234 10.442 -22.302 1.00 65.13 N ATOM 796 CA SER A 54 -2.043 10.809 -23.701 1.00 22.43 C ATOM 797 C SER A 54 -3.191 10.287 -24.560 1.00 45.43 C ATOM 798 O SER A 54 -3.545 10.889 -25.573 1.00 61.44 O ATOM 799 CB SER A 54 -0.712 10.258 -24.218 1.00 35.54 C ATOM 800 OG SER A 54 0.239 10.159 -23.172 1.00 62.13 O ATOM 0 H SER A 54 -1.769 9.577 -22.026 1.00 65.13 H new ATOM 0 HA SER A 54 -2.027 11.897 -23.767 1.00 22.43 H new ATOM 0 HB2 SER A 54 -0.870 9.276 -24.664 1.00 35.54 H new ATOM 0 HB3 SER A 54 -0.327 10.907 -25.004 1.00 35.54 H new ATOM 0 HG SER A 54 1.080 9.803 -23.527 1.00 62.13 H new ATOM 806 N GLY A 55 -3.768 9.163 -24.147 1.00 41.03 N ATOM 807 CA GLY A 55 -4.869 8.578 -24.890 1.00 12.51 C ATOM 808 C GLY A 55 -6.051 9.520 -25.010 1.00 74.53 C ATOM 809 O GLY A 55 -6.959 9.288 -25.808 1.00 13.04 O ATOM 0 H GLY A 55 -3.493 8.647 -23.311 1.00 41.03 H new ATOM 0 HA2 GLY A 55 -4.525 8.302 -25.887 1.00 12.51 H new ATOM 0 HA3 GLY A 55 -5.188 7.659 -24.398 1.00 12.51 H new ATOM 813 N GLY A 56 -6.042 10.585 -24.215 1.00 23.35 N ATOM 814 CA GLY A 56 -7.127 11.547 -24.250 1.00 34.02 C ATOM 815 C GLY A 56 -7.423 12.036 -25.654 1.00 1.44 C ATOM 816 O GLY A 56 -8.567 12.346 -25.983 1.00 33.52 O ATOM 0 H GLY A 56 -5.302 10.799 -23.547 1.00 23.35 H new ATOM 0 HA2 GLY A 56 -8.025 11.093 -23.830 1.00 34.02 H new ATOM 0 HA3 GLY A 56 -6.874 12.398 -23.618 1.00 34.02 H new ATOM 820 N GLY A 57 -6.387 12.109 -26.484 1.00 61.10 N ATOM 821 CA GLY A 57 -6.562 12.567 -27.850 1.00 23.01 C ATOM 822 C GLY A 57 -7.550 11.717 -28.624 1.00 45.35 C ATOM 823 O GLY A 57 -8.390 12.240 -29.357 1.00 45.22 O ATOM 0 H GLY A 57 -5.430 11.859 -26.235 1.00 61.10 H new ATOM 0 HA2 GLY A 57 -6.905 13.601 -27.842 1.00 23.01 H new ATOM 0 HA3 GLY A 57 -5.599 12.555 -28.360 1.00 23.01 H new ATOM 827 N LYS A 58 -7.449 10.402 -28.465 1.00 11.15 N ATOM 828 CA LYS A 58 -8.340 9.477 -29.154 1.00 71.34 C ATOM 829 C LYS A 58 -9.640 9.292 -28.378 1.00 0.11 C ATOM 830 O LYS A 58 -10.678 8.966 -28.955 1.00 4.23 O ATOM 831 CB LYS A 58 -7.653 8.123 -29.348 1.00 4.30 C ATOM 832 CG LYS A 58 -8.523 7.093 -30.047 1.00 12.25 C ATOM 833 CD LYS A 58 -8.849 7.512 -31.470 1.00 62.15 C ATOM 834 CE LYS A 58 -10.339 7.403 -31.756 1.00 42.34 C ATOM 835 NZ LYS A 58 -10.608 6.688 -33.034 1.00 64.24 N ATOM 0 H LYS A 58 -6.758 9.953 -27.864 1.00 11.15 H new ATOM 0 HA LYS A 58 -8.577 9.901 -30.130 1.00 71.34 H new ATOM 0 HB2 LYS A 58 -6.741 8.268 -29.926 1.00 4.30 H new ATOM 0 HB3 LYS A 58 -7.355 7.734 -28.375 1.00 4.30 H new ATOM 0 HG2 LYS A 58 -8.011 6.131 -30.058 1.00 12.25 H new ATOM 0 HG3 LYS A 58 -9.448 6.956 -29.486 1.00 12.25 H new ATOM 0 HD2 LYS A 58 -8.520 8.539 -31.632 1.00 62.15 H new ATOM 0 HD3 LYS A 58 -8.296 6.886 -32.170 1.00 62.15 H new ATOM 0 HE2 LYS A 58 -10.829 6.878 -30.936 1.00 42.34 H new ATOM 0 HE3 LYS A 58 -10.774 8.401 -31.800 1.00 42.34 H new ATOM 0 HZ1 LYS A 58 -11.634 6.635 -33.193 1.00 64.24 H new ATOM 0 HZ2 LYS A 58 -10.162 7.203 -33.820 1.00 64.24 H new ATOM 0 HZ3 LYS A 58 -10.215 5.726 -32.983 1.00 64.24 H new ATOM 849 N ASP A 59 -9.576 9.504 -27.068 1.00 73.40 N ATOM 850 CA ASP A 59 -10.749 9.363 -26.213 1.00 32.01 C ATOM 851 C ASP A 59 -11.658 10.582 -26.333 1.00 13.25 C ATOM 852 O ASP A 59 -12.874 10.480 -26.175 1.00 52.44 O ATOM 853 CB ASP A 59 -10.325 9.169 -24.756 1.00 64.24 C ATOM 854 CG ASP A 59 -10.774 7.834 -24.195 1.00 54.23 C ATOM 855 OD1 ASP A 59 -11.940 7.454 -24.432 1.00 41.00 O ATOM 856 OD2 ASP A 59 -9.961 7.170 -23.519 1.00 12.34 O ATOM 0 H ASP A 59 -8.725 9.774 -26.575 1.00 73.40 H new ATOM 0 HA ASP A 59 -11.304 8.484 -26.542 1.00 32.01 H new ATOM 0 HB2 ASP A 59 -9.240 9.244 -24.683 1.00 64.24 H new ATOM 0 HB3 ASP A 59 -10.741 9.973 -24.149 1.00 64.24 H new ATOM 861 N GLY A 60 -11.059 11.736 -26.611 1.00 10.11 N ATOM 862 CA GLY A 60 -11.829 12.959 -26.745 1.00 74.45 C ATOM 863 C GLY A 60 -12.894 12.858 -27.820 1.00 22.31 C ATOM 864 O GLY A 60 -12.753 12.091 -28.773 1.00 2.14 O ATOM 0 H GLY A 60 -10.054 11.846 -26.746 1.00 10.11 H new ATOM 0 HA2 GLY A 60 -12.301 13.194 -25.791 1.00 74.45 H new ATOM 0 HA3 GLY A 60 -11.157 13.784 -26.980 1.00 74.45 H new TER 868 GLY A 60