USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 135:sc= 0.355 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.521 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 161:sc= 0.89 (180deg=-0.491) USER MOD Set 2.2: A 12 THR OG1 : rot 138:sc= 0.75 USER MOD Set 3.1: A 7 THR OG1 : rot 111:sc= 0.0583 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.297 (180deg=-0.58) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.27 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.05) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 1.93 (180deg=1.22) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 1.27 (180deg=1.13) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= 1.23 (180deg=0.372) USER MOD Single : A 40 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.313 K(o=0.31,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0021 X(o=-0.0021,f=0) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.0943 USER MOD Single : A 60 ASN : amide:sc=-0.000533 X(o=-0.00053,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 1.06 (180deg=1.02) USER MOD Single : A 65 SER OG : rot 61:sc= 1.52 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.261 K(o=0.26,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.080 -7.479 -5.006 1.00 9.67 N ATOM 2 CA MET A 1 11.139 -7.809 -3.563 1.00 10.38 C ATOM 3 C MET A 1 9.732 -8.177 -3.063 1.00 9.62 C ATOM 4 O MET A 1 8.728 -7.774 -3.700 1.00 9.62 O ATOM 5 CB MET A 1 11.726 -6.597 -2.790 1.00 13.77 C ATOM 6 CG MET A 1 10.975 -5.270 -2.901 1.00 16.29 C ATOM 7 SD MET A 1 11.828 -3.991 -1.987 1.00 17.17 S ATOM 8 CE MET A 1 10.441 -2.832 -2.101 1.00 16.11 C ATOM 0 H1 MET A 1 11.955 -6.993 -5.287 1.00 9.67 H new ATOM 0 H2 MET A 1 10.978 -8.354 -5.558 1.00 9.67 H new ATOM 0 H3 MET A 1 10.266 -6.858 -5.187 1.00 9.67 H new ATOM 0 HA MET A 1 11.788 -8.668 -3.393 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.785 -6.865 -1.735 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.747 -6.438 -3.136 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.888 -4.981 -3.948 1.00 16.29 H new ATOM 0 HG3 MET A 1 9.961 -5.385 -2.517 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.777 -1.833 -1.822 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.064 -2.816 -3.123 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.646 -3.149 -1.426 1.00 16.11 H new ATOM 20 N GLN A 2 9.511 -8.896 -1.942 1.00 9.27 N ATOM 21 CA GLN A 2 8.206 -9.172 -1.342 1.00 9.07 C ATOM 22 C GLN A 2 7.987 -8.047 -0.323 1.00 8.72 C ATOM 23 O GLN A 2 8.898 -7.453 0.204 1.00 8.22 O ATOM 24 CB GLN A 2 8.132 -10.585 -0.665 1.00 14.46 C ATOM 25 CG GLN A 2 8.337 -11.698 -1.717 1.00 17.01 C ATOM 26 CD GLN A 2 8.156 -13.101 -1.152 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.786 -13.227 0.043 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.376 -14.157 -1.917 1.00 19.49 N ATOM 0 H GLN A 2 10.277 -9.314 -1.414 1.00 9.27 H new ATOM 0 HA GLN A 2 7.426 -9.196 -2.103 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.894 -10.664 0.110 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.166 -10.711 -0.177 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.632 -11.549 -2.535 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.338 -11.610 -2.139 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.676 -14.033 -2.884 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.246 -15.096 -1.540 1.00 19.49 H new ATOM 37 N ILE A 3 6.698 -7.714 -0.183 1.00 5.87 N ATOM 38 CA ILE A 3 6.246 -6.996 0.956 1.00 5.07 C ATOM 39 C ILE A 3 4.948 -7.701 1.432 1.00 4.01 C ATOM 40 O ILE A 3 4.426 -8.608 0.810 1.00 4.61 O ATOM 41 CB ILE A 3 6.054 -5.464 0.760 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.908 -5.265 -0.312 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.411 -4.812 0.461 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.567 -3.807 -0.498 1.00 10.83 C ATOM 0 H ILE A 3 5.969 -7.942 -0.859 1.00 5.87 H new ATOM 0 HA ILE A 3 7.029 -7.026 1.714 1.00 5.07 H new ATOM 0 HB ILE A 3 5.715 -4.944 1.656 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.223 -5.690 -1.265 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.018 -5.810 0.001 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.277 -3.739 0.324 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.091 -4.989 1.294 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.830 -5.244 -0.448 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.776 -3.710 -1.242 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.227 -3.389 0.450 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.451 -3.267 -0.836 1.00 10.83 H new ATOM 56 N PHE A 4 4.440 -7.197 2.569 1.00 4.55 N ATOM 57 CA PHE A 4 3.319 -7.755 3.140 1.00 4.68 C ATOM 58 C PHE A 4 2.322 -6.577 3.358 1.00 5.30 C ATOM 59 O PHE A 4 2.717 -5.458 3.737 1.00 5.58 O ATOM 60 CB PHE A 4 3.563 -8.351 4.559 1.00 4.83 C ATOM 61 CG PHE A 4 4.778 -9.338 4.642 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.799 -10.461 3.828 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.813 -9.169 5.613 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.662 -11.528 4.020 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.731 -10.215 5.787 1.00 10.61 C ATOM 66 CZ PHE A 4 6.730 -11.364 4.923 1.00 8.90 C ATOM 0 H PHE A 4 4.828 -6.399 3.073 1.00 4.55 H new ATOM 0 HA PHE A 4 2.978 -8.557 2.485 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.725 -7.533 5.261 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.662 -8.874 4.881 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.106 -10.506 3.001 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.886 -8.263 6.196 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.520 -12.459 3.492 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.454 -10.156 6.587 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.532 -12.086 4.966 1.00 8.90 H new ATOM 76 N VAL A 5 1.057 -6.800 3.166 1.00 4.44 N ATOM 77 CA VAL A 5 0.021 -5.912 3.440 1.00 3.87 C ATOM 78 C VAL A 5 -0.929 -6.612 4.352 1.00 4.93 C ATOM 79 O VAL A 5 -1.425 -7.702 4.072 1.00 6.84 O ATOM 80 CB VAL A 5 -0.679 -5.375 2.200 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.704 -4.264 2.499 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.405 -4.853 1.235 1.00 9.13 C ATOM 0 H VAL A 5 0.720 -7.683 2.783 1.00 4.44 H new ATOM 0 HA VAL A 5 0.437 -5.022 3.912 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.253 -6.190 1.758 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.162 -3.931 1.568 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.476 -4.650 3.165 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.201 -3.423 2.976 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.068 -4.461 0.335 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.974 -4.060 1.721 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.076 -5.669 0.966 1.00 9.13 H new ATOM 92 N LYS A 6 -1.170 -5.942 5.518 1.00 6.04 N ATOM 93 CA LYS A 6 -2.135 -6.421 6.462 1.00 6.12 C ATOM 94 C LYS A 6 -3.370 -5.526 6.451 1.00 6.57 C ATOM 95 O LYS A 6 -3.282 -4.333 6.628 1.00 5.76 O ATOM 96 CB LYS A 6 -1.477 -6.505 7.851 1.00 7.45 C ATOM 97 CG LYS A 6 -0.296 -7.567 7.841 1.00 11.12 C ATOM 98 CD LYS A 6 0.365 -7.894 9.167 1.00 14.54 C ATOM 99 CE LYS A 6 1.586 -8.825 9.076 1.00 18.84 C ATOM 100 NZ LYS A 6 1.136 -10.223 8.974 1.00 20.55 N ATOM 0 H LYS A 6 -0.697 -5.081 5.793 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.471 -7.421 6.189 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.092 -5.526 8.138 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.221 -6.786 8.596 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.682 -8.495 7.420 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.475 -7.205 7.161 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.673 -6.962 9.641 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.376 -8.355 9.821 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.191 -8.563 8.208 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.218 -8.699 9.955 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.908 -10.809 8.596 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.866 -10.571 9.916 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.316 -10.278 8.337 1.00 20.55 H new ATOM 114 N THR A 7 -4.618 -6.136 6.360 1.00 7.41 N ATOM 115 CA THR A 7 -5.863 -5.435 6.355 1.00 7.48 C ATOM 116 C THR A 7 -6.560 -5.483 7.732 1.00 8.75 C ATOM 117 O THR A 7 -6.288 -6.305 8.586 1.00 8.58 O ATOM 118 CB THR A 7 -6.815 -6.085 5.341 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.414 -7.335 5.673 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.047 -6.267 3.991 1.00 9.17 C ATOM 0 H THR A 7 -4.729 -7.147 6.289 1.00 7.41 H new ATOM 0 HA THR A 7 -5.644 -4.399 6.098 1.00 7.48 H new ATOM 0 HB THR A 7 -7.655 -5.392 5.304 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.375 -7.209 5.819 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.707 -6.728 3.256 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.720 -5.294 3.625 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.178 -6.906 4.150 1.00 9.17 H new ATOM 128 N LEU A 8 -7.590 -4.640 7.965 1.00 9.84 N ATOM 129 CA LEU A 8 -8.262 -4.527 9.271 1.00 14.15 C ATOM 130 C LEU A 8 -9.277 -5.659 9.485 1.00 17.37 C ATOM 131 O LEU A 8 -10.080 -5.688 10.405 1.00 17.01 O ATOM 132 CB LEU A 8 -8.871 -3.136 9.476 1.00 16.63 C ATOM 133 CG LEU A 8 -7.819 -2.048 9.764 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.455 -0.655 9.390 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.154 -2.094 11.155 1.00 18.59 C ATOM 0 H LEU A 8 -7.976 -4.021 7.252 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.503 -4.645 10.044 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.436 -2.859 8.586 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.579 -3.175 10.304 1.00 16.63 H new ATOM 0 HG LEU A 8 -6.952 -2.243 9.132 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.733 0.138 9.583 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.725 -0.650 8.334 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.347 -0.488 9.994 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.433 -1.281 11.241 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.916 -1.986 11.927 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.642 -3.048 11.282 1.00 18.59 H new ATOM 147 N THR A 9 -9.208 -6.717 8.634 1.00 18.33 N ATOM 148 CA THR A 9 -10.102 -7.855 8.882 1.00 19.24 C ATOM 149 C THR A 9 -9.254 -9.139 9.099 1.00 19.48 C ATOM 150 O THR A 9 -9.652 -10.283 9.133 1.00 23.14 O ATOM 151 CB THR A 9 -11.047 -8.092 7.718 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.472 -8.042 6.377 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.096 -6.959 7.729 1.00 19.70 C ATOM 0 H THR A 9 -8.587 -6.798 7.829 1.00 18.33 H new ATOM 0 HA THR A 9 -10.694 -7.624 9.768 1.00 19.24 H new ATOM 0 HB THR A 9 -11.417 -9.105 7.876 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.174 -8.210 5.714 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.793 -7.100 6.902 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.643 -6.979 8.672 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.594 -5.997 7.621 1.00 19.70 H new ATOM 161 N GLY A 10 -7.885 -8.953 9.064 1.00 19.43 N ATOM 162 CA GLY A 10 -6.890 -9.950 9.471 1.00 18.74 C ATOM 163 C GLY A 10 -6.205 -10.566 8.361 1.00 17.62 C ATOM 164 O GLY A 10 -5.539 -11.562 8.610 1.00 19.74 O ATOM 0 H GLY A 10 -7.463 -8.082 8.742 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.156 -9.475 10.122 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.383 -10.725 10.059 1.00 18.74 H new ATOM 168 N LYS A 11 -6.304 -10.034 7.127 1.00 13.56 N ATOM 169 CA LYS A 11 -5.679 -10.730 6.001 1.00 11.91 C ATOM 170 C LYS A 11 -4.260 -10.223 5.839 1.00 10.18 C ATOM 171 O LYS A 11 -3.959 -9.002 5.860 1.00 9.10 O ATOM 172 CB LYS A 11 -6.563 -10.444 4.740 1.00 13.43 C ATOM 173 CG LYS A 11 -6.187 -11.422 3.612 1.00 16.69 C ATOM 174 CD LYS A 11 -6.993 -11.193 2.355 1.00 17.92 C ATOM 175 CE LYS A 11 -6.902 -12.281 1.317 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.901 -12.094 0.228 1.00 21.93 N ATOM 0 H LYS A 11 -6.788 -9.166 6.896 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.619 -11.807 6.156 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.618 -10.552 4.991 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.418 -9.416 4.407 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.126 -11.318 3.384 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.340 -12.445 3.956 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.039 -11.068 2.633 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.669 -10.256 1.903 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.899 -12.294 0.891 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.059 -13.250 1.791 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.048 -12.997 -0.267 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.802 -11.772 0.635 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.551 -11.383 -0.445 1.00 21.93 H new ATOM 190 N THR A 12 -3.294 -11.185 5.621 1.00 9.63 N ATOM 191 CA THR A 12 -1.962 -10.870 5.179 1.00 9.85 C ATOM 192 C THR A 12 -1.898 -11.387 3.758 1.00 11.66 C ATOM 193 O THR A 12 -1.966 -12.559 3.451 1.00 12.33 O ATOM 194 CB THR A 12 -0.848 -11.338 6.055 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.131 -10.958 7.358 1.00 10.91 O ATOM 196 CG2 THR A 12 0.484 -10.697 5.673 1.00 9.63 C ATOM 0 H THR A 12 -3.457 -12.183 5.758 1.00 9.63 H new ATOM 0 HA THR A 12 -1.793 -9.795 5.234 1.00 9.85 H new ATOM 0 HB THR A 12 -0.764 -12.419 5.945 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.910 -11.692 7.968 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.268 -11.065 6.335 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.729 -10.954 4.643 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.407 -9.614 5.768 1.00 9.63 H new ATOM 204 N ILE A 13 -1.596 -10.433 2.808 1.00 10.42 N ATOM 205 CA ILE A 13 -1.260 -10.677 1.440 1.00 11.84 C ATOM 206 C ILE A 13 0.188 -10.328 1.162 1.00 10.55 C ATOM 207 O ILE A 13 0.722 -9.367 1.683 1.00 11.92 O ATOM 208 CB ILE A 13 -2.139 -9.899 0.510 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.019 -8.365 0.660 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.581 -10.441 0.680 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.840 -7.535 -0.337 1.00 16.46 C ATOM 0 H ILE A 13 -1.593 -9.438 3.033 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.415 -11.741 1.264 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.809 -10.052 -0.518 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.324 -8.092 1.670 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.970 -8.089 0.558 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.254 -9.898 0.017 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.603 -11.502 0.430 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.901 -10.305 1.713 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.683 -6.474 -0.143 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.523 -7.769 -1.353 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.898 -7.772 -0.223 1.00 16.46 H new ATOM 223 N THR A 14 0.856 -11.118 0.329 1.00 9.39 N ATOM 224 CA THR A 14 2.202 -10.845 -0.216 1.00 9.63 C ATOM 225 C THR A 14 2.059 -10.068 -1.465 1.00 11.20 C ATOM 226 O THR A 14 1.165 -10.324 -2.292 1.00 11.63 O ATOM 227 CB THR A 14 3.093 -12.070 -0.339 1.00 10.38 C ATOM 228 OG1 THR A 14 3.349 -12.608 0.955 1.00 16.30 O ATOM 229 CG2 THR A 14 4.435 -11.692 -1.053 1.00 11.66 C ATOM 0 H THR A 14 0.470 -12.001 -0.004 1.00 9.39 H new ATOM 0 HA THR A 14 2.749 -10.241 0.508 1.00 9.63 H new ATOM 0 HB THR A 14 2.586 -12.825 -0.940 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.922 -13.399 0.873 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.065 -12.577 -1.135 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.221 -11.305 -2.049 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.954 -10.930 -0.472 1.00 11.66 H new ATOM 237 N LEU A 15 2.895 -9.119 -1.722 1.00 8.29 N ATOM 238 CA LEU A 15 2.962 -8.453 -3.000 1.00 9.03 C ATOM 239 C LEU A 15 4.362 -8.571 -3.480 1.00 8.59 C ATOM 240 O LEU A 15 5.288 -8.710 -2.687 1.00 7.79 O ATOM 241 CB LEU A 15 2.461 -6.987 -3.056 1.00 11.08 C ATOM 242 CG LEU A 15 0.991 -6.740 -2.545 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.733 -5.269 -2.371 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.130 -7.330 -3.373 1.00 15.27 C ATOM 0 H LEU A 15 3.570 -8.770 -1.041 1.00 8.29 H new ATOM 0 HA LEU A 15 2.250 -8.956 -3.654 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.138 -6.370 -2.466 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.529 -6.640 -4.087 1.00 11.08 H new ATOM 0 HG LEU A 15 0.965 -7.281 -1.599 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.287 -5.118 -2.018 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.434 -4.860 -1.643 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.865 -4.761 -3.326 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.088 -7.088 -2.913 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.096 -6.915 -4.380 1.00 15.27 H new ATOM 0 HD23 LEU A 15 -0.015 -8.413 -3.423 1.00 15.27 H new ATOM 256 N GLU A 16 4.571 -8.526 -4.771 1.00 11.04 N ATOM 257 CA GLU A 16 5.858 -8.559 -5.428 1.00 11.50 C ATOM 258 C GLU A 16 6.072 -7.209 -6.074 1.00 10.13 C ATOM 259 O GLU A 16 5.413 -6.821 -7.033 1.00 9.83 O ATOM 260 CB GLU A 16 6.018 -9.658 -6.511 1.00 17.22 C ATOM 261 CG GLU A 16 5.987 -11.092 -5.833 1.00 23.33 C ATOM 262 CD GLU A 16 6.102 -12.282 -6.858 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.235 -12.641 -7.157 1.00 28.90 O ATOM 264 OE2 GLU A 16 5.087 -12.952 -7.090 1.00 28.86 O ATOM 0 H GLU A 16 3.800 -8.461 -5.435 1.00 11.04 H new ATOM 0 HA GLU A 16 6.596 -8.796 -4.661 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.217 -9.576 -7.246 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.957 -9.519 -7.046 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.805 -11.162 -5.116 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.059 -11.198 -5.270 1.00 23.33 H new ATOM 271 N VAL A 17 6.999 -6.482 -5.469 1.00 8.99 N ATOM 272 CA VAL A 17 7.162 -5.073 -5.802 1.00 8.85 C ATOM 273 C VAL A 17 8.620 -4.708 -6.014 1.00 8.04 C ATOM 274 O VAL A 17 9.534 -5.487 -5.881 1.00 8.99 O ATOM 275 CB VAL A 17 6.611 -4.190 -4.683 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.043 -4.339 -4.686 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.250 -4.376 -3.300 1.00 10.54 C ATOM 0 H VAL A 17 7.640 -6.835 -4.758 1.00 8.99 H new ATOM 0 HA VAL A 17 6.612 -4.905 -6.728 1.00 8.85 H new ATOM 0 HB VAL A 17 6.895 -3.160 -4.900 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.617 -3.720 -3.897 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.649 -4.019 -5.651 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.776 -5.382 -4.513 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.780 -3.698 -2.588 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.109 -5.405 -2.969 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.316 -4.157 -3.359 1.00 10.54 H new ATOM 287 N GLU A 18 8.840 -3.490 -6.399 1.00 7.29 N ATOM 288 CA GLU A 18 10.168 -2.872 -6.431 1.00 7.08 C ATOM 289 C GLU A 18 10.258 -1.622 -5.594 1.00 6.45 C ATOM 290 O GLU A 18 9.264 -1.051 -5.173 1.00 5.28 O ATOM 291 CB GLU A 18 10.410 -2.563 -7.939 1.00 10.28 C ATOM 292 CG GLU A 18 10.448 -3.811 -8.901 1.00 12.65 C ATOM 293 CD GLU A 18 10.961 -3.543 -10.296 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.122 -3.050 -11.123 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.152 -3.755 -10.614 1.00 18.17 O ATOM 0 H GLU A 18 8.096 -2.866 -6.711 1.00 7.29 H new ATOM 0 HA GLU A 18 10.922 -3.533 -6.005 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.626 -1.888 -8.282 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.355 -2.027 -8.033 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.072 -4.580 -8.445 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.441 -4.221 -8.976 1.00 12.65 H new ATOM 302 N PRO A 19 11.414 -1.101 -5.166 1.00 7.24 N ATOM 303 CA PRO A 19 11.627 0.241 -4.722 1.00 7.07 C ATOM 304 C PRO A 19 11.071 1.317 -5.698 1.00 6.65 C ATOM 305 O PRO A 19 10.536 2.351 -5.252 1.00 6.37 O ATOM 306 CB PRO A 19 13.176 0.324 -4.549 1.00 7.61 C ATOM 307 CG PRO A 19 13.743 -0.827 -5.385 1.00 8.16 C ATOM 308 CD PRO A 19 12.633 -1.850 -5.366 1.00 7.49 C ATOM 0 HA PRO A 19 11.086 0.457 -3.801 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.558 1.285 -4.893 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.460 0.225 -3.501 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.979 -0.508 -6.400 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.662 -1.223 -4.953 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.600 -2.409 -6.301 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.783 -2.575 -4.566 1.00 7.49 H new ATOM 316 N SER A 20 11.220 1.124 -7.016 1.00 6.80 N ATOM 317 CA SER A 20 10.996 2.163 -8.091 1.00 6.28 C ATOM 318 C SER A 20 9.507 2.409 -8.320 1.00 8.45 C ATOM 319 O SER A 20 9.166 3.338 -8.987 1.00 7.26 O ATOM 320 CB SER A 20 11.573 1.663 -9.461 1.00 8.57 C ATOM 321 OG SER A 20 11.276 0.283 -9.690 1.00 11.13 O ATOM 0 H SER A 20 11.507 0.223 -7.399 1.00 6.80 H new ATOM 0 HA SER A 20 11.491 3.074 -7.754 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.158 2.263 -10.271 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.653 1.810 -9.476 1.00 8.57 H new ATOM 0 HG SER A 20 11.649 0.007 -10.553 1.00 11.13 H new ATOM 327 N ASP A 21 8.582 1.536 -7.861 1.00 7.50 N ATOM 328 CA ASP A 21 7.149 1.659 -7.966 1.00 7.70 C ATOM 329 C ASP A 21 6.570 2.810 -7.199 1.00 7.08 C ATOM 330 O ASP A 21 6.906 3.062 -6.006 1.00 8.11 O ATOM 331 CB ASP A 21 6.488 0.271 -7.689 1.00 11.00 C ATOM 332 CG ASP A 21 6.794 -0.803 -8.628 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.934 -0.519 -9.822 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.897 -2.004 -8.283 1.00 14.36 O ATOM 0 H ASP A 21 8.856 0.679 -7.380 1.00 7.50 H new ATOM 0 HA ASP A 21 6.901 1.936 -8.991 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.786 -0.054 -6.692 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.407 0.408 -7.670 1.00 11.00 H new ATOM 339 N THR A 22 5.586 3.509 -7.763 1.00 5.37 N ATOM 340 CA THR A 22 4.863 4.484 -7.000 1.00 6.01 C ATOM 341 C THR A 22 3.931 3.818 -5.954 1.00 8.01 C ATOM 342 O THR A 22 3.647 2.640 -5.988 1.00 8.11 O ATOM 343 CB THR A 22 4.106 5.496 -7.796 1.00 8.92 C ATOM 344 OG1 THR A 22 3.290 4.745 -8.665 1.00 10.22 O ATOM 345 CG2 THR A 22 5.053 6.256 -8.659 1.00 9.65 C ATOM 0 H THR A 22 5.286 3.410 -8.733 1.00 5.37 H new ATOM 0 HA THR A 22 5.647 5.045 -6.492 1.00 6.01 H new ATOM 0 HB THR A 22 3.556 6.179 -7.149 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.759 5.352 -9.221 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.502 6.995 -9.241 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.789 6.761 -8.034 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.562 5.568 -9.335 1.00 9.65 H new ATOM 353 N ILE A 23 3.456 4.550 -4.921 1.00 8.32 N ATOM 354 CA ILE A 23 2.436 4.056 -3.990 1.00 9.92 C ATOM 355 C ILE A 23 1.152 3.818 -4.709 1.00 10.01 C ATOM 356 O ILE A 23 0.403 2.857 -4.502 1.00 8.71 O ATOM 357 CB ILE A 23 2.359 5.034 -2.750 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.729 5.147 -2.125 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.123 4.649 -1.888 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.109 4.023 -1.115 1.00 12.30 C ATOM 0 H ILE A 23 3.773 5.497 -4.716 1.00 8.32 H new ATOM 0 HA ILE A 23 2.699 3.080 -3.582 1.00 9.92 H new ATOM 0 HB ILE A 23 2.147 6.075 -2.992 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.472 5.159 -2.923 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.796 6.107 -1.613 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.057 5.316 -1.028 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.218 4.741 -2.488 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.227 3.620 -1.542 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.112 4.205 -0.729 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.397 4.020 -0.289 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.084 3.057 -1.619 1.00 12.30 H new ATOM 372 N GLU A 24 0.739 4.669 -5.670 1.00 9.54 N ATOM 373 CA GLU A 24 -0.361 4.482 -6.558 1.00 11.81 C ATOM 374 C GLU A 24 -0.286 3.183 -7.432 1.00 11.14 C ATOM 375 O GLU A 24 -1.275 2.414 -7.566 1.00 10.62 O ATOM 376 CB GLU A 24 -0.318 5.801 -7.419 1.00 19.24 C ATOM 377 CG GLU A 24 -1.630 5.969 -8.267 1.00 27.76 C ATOM 378 CD GLU A 24 -1.453 7.011 -9.325 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.811 8.064 -9.076 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.875 6.749 -10.432 1.00 34.80 O ATOM 0 H GLU A 24 1.216 5.556 -5.834 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.299 4.327 -6.025 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.193 6.663 -6.763 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.546 5.777 -8.082 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.893 5.017 -8.729 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.457 6.246 -7.613 1.00 27.76 H new ATOM 387 N ASN A 25 0.866 2.827 -7.997 1.00 9.43 N ATOM 388 CA ASN A 25 1.173 1.543 -8.608 1.00 10.96 C ATOM 389 C ASN A 25 1.115 0.354 -7.667 1.00 9.68 C ATOM 390 O ASN A 25 0.757 -0.747 -8.089 1.00 9.33 O ATOM 391 CB ASN A 25 2.619 1.560 -9.265 1.00 16.78 C ATOM 392 CG ASN A 25 2.873 0.347 -10.170 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.213 -0.733 -9.698 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.717 0.661 -11.485 1.00 24.70 N ATOM 0 H ASN A 25 1.656 3.470 -8.041 1.00 9.43 H new ATOM 0 HA ASN A 25 0.388 1.413 -9.352 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.738 2.474 -9.847 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.371 1.584 -8.477 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.889 -0.044 -12.202 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.428 1.601 -11.754 1.00 24.70 H new ATOM 401 N VAL A 26 1.544 0.521 -6.415 1.00 6.52 N ATOM 402 CA VAL A 26 1.361 -0.575 -5.419 1.00 5.53 C ATOM 403 C VAL A 26 -0.118 -0.862 -5.142 1.00 4.42 C ATOM 404 O VAL A 26 -0.564 -1.991 -5.126 1.00 3.40 O ATOM 405 CB VAL A 26 2.181 -0.429 -4.113 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.710 -1.435 -3.051 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.641 -0.539 -4.484 1.00 8.12 C ATOM 0 H VAL A 26 2.003 1.360 -6.061 1.00 6.52 H new ATOM 0 HA VAL A 26 1.789 -1.451 -5.906 1.00 5.53 H new ATOM 0 HB VAL A 26 2.026 0.542 -3.643 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.302 -1.311 -2.144 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.658 -1.259 -2.824 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.835 -2.449 -3.430 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.253 -0.441 -3.587 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.827 -1.509 -4.946 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.898 0.253 -5.187 1.00 8.12 H new ATOM 417 N LYS A 27 -0.947 0.183 -5.082 1.00 2.64 N ATOM 418 CA LYS A 27 -2.377 0.045 -4.989 1.00 4.14 C ATOM 419 C LYS A 27 -3.012 -0.648 -6.174 1.00 5.58 C ATOM 420 O LYS A 27 -4.009 -1.342 -6.091 1.00 4.11 O ATOM 421 CB LYS A 27 -3.034 1.460 -4.633 1.00 3.97 C ATOM 422 CG LYS A 27 -2.730 2.037 -3.213 1.00 7.45 C ATOM 423 CD LYS A 27 -3.231 3.437 -3.009 1.00 9.02 C ATOM 424 CE LYS A 27 -2.992 3.939 -1.592 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.456 5.369 -1.463 1.00 15.47 N ATOM 0 H LYS A 27 -0.628 1.152 -5.098 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.591 -0.640 -4.168 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.700 2.186 -5.374 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.115 1.370 -4.739 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.180 1.387 -2.463 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.653 2.018 -3.046 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.736 4.103 -3.716 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.298 3.474 -3.229 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.526 3.310 -0.880 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.932 3.869 -1.347 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.868 5.863 -0.761 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.371 5.846 -2.383 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.449 5.385 -1.156 1.00 15.47 H new ATOM 439 N ALA A 28 -2.422 -0.363 -7.362 1.00 6.61 N ATOM 440 CA ALA A 28 -2.780 -0.929 -8.649 1.00 7.74 C ATOM 441 C ALA A 28 -2.517 -2.423 -8.730 1.00 9.17 C ATOM 442 O ALA A 28 -3.314 -3.184 -9.263 1.00 11.45 O ATOM 443 CB ALA A 28 -2.019 -0.273 -9.827 1.00 7.68 C ATOM 0 H ALA A 28 -1.650 0.300 -7.432 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.848 -0.730 -8.734 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.328 -0.737 -10.763 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.246 0.793 -9.858 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.947 -0.412 -9.690 1.00 7.68 H new ATOM 449 N LYS A 29 -1.468 -2.875 -8.034 1.00 8.96 N ATOM 450 CA LYS A 29 -1.231 -4.276 -7.747 1.00 7.90 C ATOM 451 C LYS A 29 -2.183 -4.894 -6.730 1.00 6.92 C ATOM 452 O LYS A 29 -2.514 -6.038 -6.887 1.00 6.87 O ATOM 453 CB LYS A 29 0.234 -4.347 -7.223 1.00 10.28 C ATOM 454 CG LYS A 29 0.785 -5.722 -7.178 1.00 14.94 C ATOM 455 CD LYS A 29 2.305 -5.708 -7.367 1.00 19.69 C ATOM 456 CE LYS A 29 2.685 -5.704 -8.796 1.00 22.63 C ATOM 457 NZ LYS A 29 4.115 -5.425 -8.957 1.00 24.98 N ATOM 0 H LYS A 29 -0.752 -2.258 -7.651 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.403 -4.856 -8.654 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.869 -3.732 -7.861 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.274 -3.916 -6.223 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.537 -6.186 -6.223 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.323 -6.329 -7.957 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.723 -4.828 -6.878 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.739 -6.580 -6.879 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.446 -6.669 -9.242 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.102 -4.953 -9.329 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.463 -5.884 -9.823 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.263 -4.398 -9.027 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.635 -5.795 -8.136 1.00 24.98 H new ATOM 471 N ILE A 30 -2.661 -4.210 -5.607 1.00 4.57 N ATOM 472 CA ILE A 30 -3.676 -4.668 -4.702 1.00 5.58 C ATOM 473 C ILE A 30 -4.999 -4.642 -5.455 1.00 7.26 C ATOM 474 O ILE A 30 -5.766 -5.584 -5.276 1.00 9.46 O ATOM 475 CB ILE A 30 -3.812 -3.829 -3.407 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.463 -4.032 -2.643 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.117 -4.216 -2.620 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.406 -3.207 -1.354 1.00 2.00 C ATOM 0 H ILE A 30 -2.298 -3.293 -5.347 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.392 -5.668 -4.373 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.952 -2.763 -3.585 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.337 -5.088 -2.404 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.633 -3.750 -3.291 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.189 -3.613 -1.715 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.989 -4.033 -3.248 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.080 -5.271 -2.350 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.452 -3.378 -0.855 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.505 -2.149 -1.595 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.220 -3.507 -0.694 1.00 2.00 H new ATOM 490 N GLN A 31 -5.332 -3.723 -6.405 1.00 7.06 N ATOM 491 CA GLN A 31 -6.456 -3.796 -7.350 1.00 8.67 C ATOM 492 C GLN A 31 -6.314 -4.977 -8.242 1.00 10.90 C ATOM 493 O GLN A 31 -7.296 -5.689 -8.521 1.00 9.63 O ATOM 494 CB GLN A 31 -6.555 -2.529 -8.212 1.00 9.12 C ATOM 495 CG GLN A 31 -7.830 -2.348 -9.140 1.00 10.76 C ATOM 496 CD GLN A 31 -7.857 -1.008 -9.869 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.823 -0.409 -10.116 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.121 -0.555 -10.150 1.00 14.76 N ATOM 0 H GLN A 31 -4.787 -2.870 -6.529 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.366 -3.888 -6.757 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.504 -1.668 -7.545 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.672 -2.491 -8.849 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.855 -3.154 -9.873 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.730 -2.442 -8.532 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.932 -1.124 -9.908 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.250 0.351 -10.601 1.00 14.76 H new ATOM 507 N ASP A 32 -5.109 -5.242 -8.788 1.00 10.93 N ATOM 508 CA ASP A 32 -4.926 -6.496 -9.521 1.00 14.01 C ATOM 509 C ASP A 32 -5.190 -7.765 -8.683 1.00 14.04 C ATOM 510 O ASP A 32 -5.867 -8.682 -9.137 1.00 13.39 O ATOM 511 CB ASP A 32 -3.547 -6.548 -10.170 1.00 18.01 C ATOM 512 CG ASP A 32 -3.487 -7.411 -11.414 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.248 -7.191 -12.405 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.598 -8.340 -11.432 1.00 25.17 O ATOM 0 H ASP A 32 -4.291 -4.635 -8.737 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.691 -6.496 -10.298 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.239 -5.535 -10.427 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.828 -6.925 -9.443 1.00 18.01 H new ATOM 519 N LYS A 33 -4.668 -7.842 -7.491 1.00 14.22 N ATOM 520 CA LYS A 33 -4.792 -9.048 -6.688 1.00 14.00 C ATOM 521 C LYS A 33 -6.182 -9.113 -5.965 1.00 12.37 C ATOM 522 O LYS A 33 -6.835 -10.156 -5.927 1.00 12.17 O ATOM 523 CB LYS A 33 -3.595 -9.195 -5.712 1.00 18.62 C ATOM 524 CG LYS A 33 -3.410 -10.601 -5.103 1.00 24.00 C ATOM 525 CD LYS A 33 -2.402 -10.667 -3.901 1.00 27.61 C ATOM 526 CE LYS A 33 -2.306 -12.017 -3.191 1.00 27.64 C ATOM 527 NZ LYS A 33 -3.705 -12.465 -2.795 1.00 30.06 N ATOM 0 H LYS A 33 -4.149 -7.086 -7.044 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.755 -9.909 -7.356 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.681 -8.923 -6.240 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.719 -8.479 -4.900 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.380 -10.967 -4.767 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.067 -11.279 -5.885 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.411 -10.398 -4.266 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.688 -9.912 -3.169 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.845 -12.756 -3.846 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.672 -11.934 -2.308 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.639 -13.237 -2.101 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -4.220 -11.665 -2.375 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -4.214 -12.800 -3.638 1.00 30.06 H new ATOM 541 N GLU A 34 -6.684 -8.008 -5.330 1.00 10.11 N ATOM 542 CA GLU A 34 -7.830 -8.118 -4.478 1.00 10.07 C ATOM 543 C GLU A 34 -9.022 -7.367 -5.003 1.00 9.32 C ATOM 544 O GLU A 34 -10.134 -7.412 -4.426 1.00 11.61 O ATOM 545 CB GLU A 34 -7.460 -7.562 -3.078 1.00 14.77 C ATOM 546 CG GLU A 34 -6.213 -8.306 -2.403 1.00 18.75 C ATOM 547 CD GLU A 34 -6.469 -9.735 -2.049 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.567 -9.996 -1.385 1.00 25.19 O ATOM 549 OE2 GLU A 34 -5.616 -10.627 -2.302 1.00 21.95 O ATOM 0 H GLU A 34 -6.297 -7.068 -5.412 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.107 -9.171 -4.431 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.234 -6.499 -3.166 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.325 -7.651 -2.421 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.364 -8.259 -3.085 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.927 -7.766 -1.501 1.00 18.75 H new ATOM 556 N GLY A 35 -8.924 -6.626 -6.088 1.00 7.22 N ATOM 557 CA GLY A 35 -10.006 -5.986 -6.748 1.00 6.29 C ATOM 558 C GLY A 35 -10.548 -4.705 -6.146 1.00 6.93 C ATOM 559 O GLY A 35 -11.570 -4.096 -6.582 1.00 7.41 O ATOM 0 H GLY A 35 -8.029 -6.455 -6.546 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.693 -5.769 -7.769 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.828 -6.699 -6.811 1.00 6.29 H new ATOM 563 N ILE A 36 -9.777 -4.152 -5.173 1.00 5.86 N ATOM 564 CA ILE A 36 -10.091 -2.920 -4.514 1.00 6.07 C ATOM 565 C ILE A 36 -9.607 -1.747 -5.330 1.00 6.36 C ATOM 566 O ILE A 36 -8.438 -1.675 -5.650 1.00 6.18 O ATOM 567 CB ILE A 36 -9.425 -2.956 -3.152 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.585 -4.260 -2.466 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.903 -1.803 -2.285 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.902 -4.340 -1.067 1.00 9.49 C ATOM 0 H ILE A 36 -8.913 -4.580 -4.841 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.169 -2.803 -4.401 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.355 -2.835 -3.320 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.649 -4.467 -2.350 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.175 -5.044 -3.102 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.411 -1.850 -1.313 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.659 -0.858 -2.770 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.982 -1.873 -2.149 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.069 -5.327 -0.637 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.831 -4.167 -1.174 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.328 -3.581 -0.410 1.00 9.49 H new ATOM 582 N PRO A 37 -10.472 -0.800 -5.600 1.00 8.65 N ATOM 583 CA PRO A 37 -10.137 0.471 -6.188 1.00 9.18 C ATOM 584 C PRO A 37 -9.075 1.318 -5.437 1.00 9.85 C ATOM 585 O PRO A 37 -9.346 1.488 -4.230 1.00 8.51 O ATOM 586 CB PRO A 37 -11.381 1.313 -6.329 1.00 11.42 C ATOM 587 CG PRO A 37 -12.513 0.284 -6.366 1.00 9.27 C ATOM 588 CD PRO A 37 -11.929 -0.833 -5.486 1.00 8.33 C ATOM 0 HA PRO A 37 -9.690 0.206 -7.146 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.494 2.003 -5.493 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.357 1.914 -7.238 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.444 0.682 -5.962 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.725 -0.058 -7.379 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.231 -0.694 -4.448 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.312 -1.803 -5.802 1.00 8.33 H new ATOM 596 N PRO A 38 -7.990 1.860 -5.990 1.00 8.71 N ATOM 597 CA PRO A 38 -7.170 2.810 -5.283 1.00 9.08 C ATOM 598 C PRO A 38 -7.850 4.031 -4.693 1.00 9.28 C ATOM 599 O PRO A 38 -7.293 4.619 -3.706 1.00 6.50 O ATOM 600 CB PRO A 38 -6.120 3.200 -6.380 1.00 10.31 C ATOM 601 CG PRO A 38 -5.954 1.944 -7.214 1.00 10.81 C ATOM 602 CD PRO A 38 -7.326 1.257 -7.093 1.00 12.00 C ATOM 0 HA PRO A 38 -6.775 2.362 -4.371 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.471 4.035 -6.986 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.175 3.507 -5.933 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.711 2.178 -8.250 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.152 1.311 -6.834 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.904 1.383 -8.009 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.209 0.185 -6.935 1.00 12.00 H new ATOM 610 N ASP A 39 -9.066 4.444 -5.242 1.00 11.20 N ATOM 611 CA ASP A 39 -9.878 5.513 -4.716 1.00 14.96 C ATOM 612 C ASP A 39 -10.390 5.243 -3.261 1.00 13.99 C ATOM 613 O ASP A 39 -10.812 6.152 -2.553 1.00 13.75 O ATOM 614 CB ASP A 39 -11.147 5.761 -5.618 1.00 24.16 C ATOM 615 CG ASP A 39 -10.713 6.562 -6.788 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.142 7.692 -6.613 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.894 6.087 -7.926 1.00 35.55 O ATOM 0 H ASP A 39 -9.469 4.007 -6.070 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.223 6.384 -4.707 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.579 4.814 -5.941 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.919 6.288 -5.057 1.00 24.16 H new ATOM 622 N GLN A 40 -10.224 3.975 -2.792 1.00 11.60 N ATOM 623 CA GLN A 40 -10.649 3.513 -1.497 1.00 10.76 C ATOM 624 C GLN A 40 -9.547 3.035 -0.579 1.00 8.01 C ATOM 625 O GLN A 40 -9.783 2.586 0.494 1.00 8.96 O ATOM 626 CB GLN A 40 -11.740 2.467 -1.731 1.00 11.14 C ATOM 627 CG GLN A 40 -13.035 3.019 -2.359 1.00 14.85 C ATOM 628 CD GLN A 40 -14.192 2.030 -2.547 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.919 2.114 -3.505 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.412 1.091 -1.588 1.00 18.16 N ATOM 0 H GLN A 40 -9.773 3.245 -3.344 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.039 4.364 -0.938 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.343 1.685 -2.378 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.985 1.998 -0.778 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.389 3.841 -1.738 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.787 3.440 -3.333 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.790 1.030 -0.782 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.199 0.448 -1.675 1.00 18.16 H new ATOM 639 N GLN A 41 -8.278 3.125 -1.053 1.00 6.52 N ATOM 640 CA GLN A 41 -7.156 2.431 -0.407 1.00 3.87 C ATOM 641 C GLN A 41 -6.342 3.551 0.318 1.00 4.79 C ATOM 642 O GLN A 41 -6.003 4.520 -0.343 1.00 6.34 O ATOM 643 CB GLN A 41 -6.230 1.685 -1.351 1.00 4.20 C ATOM 644 CG GLN A 41 -6.789 0.349 -1.887 1.00 3.20 C ATOM 645 CD GLN A 41 -5.721 -0.332 -2.786 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.625 -0.590 -2.313 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.124 -0.595 -4.054 1.00 7.13 N ATOM 0 H GLN A 41 -8.017 3.670 -1.875 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.560 1.662 0.252 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.000 2.332 -2.198 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.290 1.488 -0.835 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.054 -0.306 -1.057 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.701 0.526 -2.457 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.065 -0.339 -4.354 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.486 -1.049 -4.708 1.00 7.13 H new ATOM 656 N ARG A 42 -6.146 3.419 1.616 1.00 5.73 N ATOM 657 CA ARG A 42 -5.243 4.239 2.433 1.00 6.97 C ATOM 658 C ARG A 42 -4.180 3.373 3.148 1.00 7.15 C ATOM 659 O ARG A 42 -4.515 2.544 3.963 1.00 7.33 O ATOM 660 CB ARG A 42 -6.086 5.108 3.406 1.00 13.23 C ATOM 661 CG ARG A 42 -7.100 6.150 2.743 1.00 21.27 C ATOM 662 CD ARG A 42 -7.555 7.146 3.804 1.00 26.14 C ATOM 663 NE ARG A 42 -8.569 8.059 3.176 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.151 9.059 3.807 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.743 9.535 4.944 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.189 9.670 3.239 1.00 36.39 N ATOM 0 H ARG A 42 -6.630 2.707 2.164 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.676 4.913 1.791 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.658 4.440 4.050 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.401 5.662 4.048 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.616 6.674 1.919 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.960 5.625 2.326 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.989 6.624 4.657 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.706 7.718 4.179 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.823 7.895 2.202 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.925 9.132 5.402 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.240 10.312 5.379 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.525 9.363 2.326 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.648 10.445 3.717 1.00 36.39 H new ATOM 680 N LEU A 43 -2.917 3.538 2.708 1.00 4.65 N ATOM 681 CA LEU A 43 -1.812 2.735 3.194 1.00 3.51 C ATOM 682 C LEU A 43 -1.102 3.473 4.262 1.00 5.56 C ATOM 683 O LEU A 43 -0.736 4.615 4.127 1.00 4.19 O ATOM 684 CB LEU A 43 -0.833 2.282 2.147 1.00 3.74 C ATOM 685 CG LEU A 43 -1.368 1.255 1.081 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.463 1.176 -0.148 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.476 -0.118 1.726 1.00 6.41 C ATOM 0 H LEU A 43 -2.650 4.232 2.009 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.263 1.817 3.572 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.467 3.162 1.619 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.023 1.835 2.652 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.346 1.598 0.743 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.872 0.455 -0.856 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.406 2.156 -0.621 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.535 0.860 0.155 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.846 -0.836 0.994 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.494 -0.433 2.078 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.166 -0.071 2.569 1.00 6.41 H new ATOM 699 N ILE A 44 -0.871 2.770 5.377 1.00 4.58 N ATOM 700 CA ILE A 44 -0.197 3.373 6.553 1.00 5.55 C ATOM 701 C ILE A 44 1.026 2.543 6.882 1.00 5.46 C ATOM 702 O ILE A 44 0.946 1.323 6.838 1.00 6.04 O ATOM 703 CB ILE A 44 -1.080 3.475 7.777 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.546 3.889 7.455 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.452 4.346 8.957 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.721 5.262 6.826 1.00 13.90 C ATOM 0 H ILE A 44 -1.134 1.792 5.498 1.00 4.58 H new ATOM 0 HA ILE A 44 0.068 4.395 6.284 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.129 2.454 8.156 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.975 3.145 6.784 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.124 3.856 8.378 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.144 4.372 9.798 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.490 3.901 9.276 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.272 5.361 8.604 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.780 5.447 6.644 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.330 6.024 7.501 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.179 5.301 5.881 1.00 13.90 H new ATOM 718 N PHE A 45 2.167 3.203 7.187 1.00 6.75 N ATOM 719 CA PHE A 45 3.366 2.485 7.518 1.00 4.70 C ATOM 720 C PHE A 45 4.227 3.400 8.397 1.00 6.34 C ATOM 721 O PHE A 45 4.276 4.604 8.109 1.00 5.45 O ATOM 722 CB PHE A 45 4.161 2.123 6.196 1.00 5.51 C ATOM 723 CG PHE A 45 5.581 1.743 6.335 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.979 0.723 7.175 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.582 2.504 5.786 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.319 0.423 7.482 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.929 2.199 5.956 1.00 6.64 C ATOM 728 CZ PHE A 45 8.305 1.210 6.874 1.00 6.84 C ATOM 0 H PHE A 45 2.258 4.219 7.204 1.00 6.75 H new ATOM 0 HA PHE A 45 3.123 1.560 8.041 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.640 1.301 5.705 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.107 2.981 5.526 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.210 0.114 7.627 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.315 3.371 5.201 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.576 -0.380 8.157 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.681 2.722 5.383 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.347 1.056 7.111 1.00 6.84 H new ATOM 738 N ALA A 46 4.816 2.808 9.404 1.00 6.53 N ATOM 739 CA ALA A 46 5.658 3.312 10.437 1.00 7.15 C ATOM 740 C ALA A 46 5.338 4.705 11.099 1.00 9.00 C ATOM 741 O ALA A 46 6.229 5.549 11.284 1.00 11.15 O ATOM 742 CB ALA A 46 7.130 3.231 9.929 1.00 8.99 C ATOM 0 H ALA A 46 4.688 1.803 9.526 1.00 6.53 H new ATOM 0 HA ALA A 46 5.455 2.664 11.290 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.802 3.611 10.699 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.382 2.194 9.707 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.237 3.832 9.026 1.00 8.99 H new ATOM 748 N GLY A 47 4.017 4.964 11.294 1.00 9.35 N ATOM 749 CA GLY A 47 3.295 6.071 11.916 1.00 11.68 C ATOM 750 C GLY A 47 2.646 7.005 10.906 1.00 11.14 C ATOM 751 O GLY A 47 2.058 8.018 11.223 1.00 13.93 O ATOM 0 H GLY A 47 3.341 4.278 10.957 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.526 5.670 12.576 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.984 6.642 12.539 1.00 11.68 H new ATOM 755 N LYS A 48 2.855 6.712 9.634 1.00 10.47 N ATOM 756 CA LYS A 48 2.666 7.622 8.567 1.00 8.82 C ATOM 757 C LYS A 48 1.739 7.102 7.478 1.00 7.68 C ATOM 758 O LYS A 48 1.855 5.973 7.053 1.00 6.47 O ATOM 759 CB LYS A 48 4.058 7.863 7.965 1.00 9.74 C ATOM 760 CG LYS A 48 5.080 8.636 8.877 1.00 14.14 C ATOM 761 CD LYS A 48 6.507 8.764 8.287 1.00 16.32 C ATOM 762 CE LYS A 48 7.279 7.506 7.900 1.00 20.04 C ATOM 763 NZ LYS A 48 8.691 7.680 7.360 1.00 23.92 N ATOM 0 H LYS A 48 3.173 5.793 9.326 1.00 10.47 H new ATOM 0 HA LYS A 48 2.195 8.526 8.953 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.492 6.897 7.705 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.938 8.419 7.035 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.690 9.636 9.070 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.144 8.128 9.839 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.437 9.390 7.397 1.00 16.32 H new ATOM 0 HD3 LYS A 48 7.112 9.308 9.013 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.333 6.862 8.778 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.696 6.973 7.149 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.095 6.748 7.139 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.664 8.259 6.497 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.280 8.152 8.075 1.00 23.92 H new ATOM 777 N GLN A 49 0.919 8.006 6.863 1.00 8.89 N ATOM 778 CA GLN A 49 0.024 7.708 5.795 1.00 7.18 C ATOM 779 C GLN A 49 0.774 7.916 4.463 1.00 8.23 C ATOM 780 O GLN A 49 1.129 8.995 4.009 1.00 9.70 O ATOM 781 CB GLN A 49 -1.109 8.705 5.891 1.00 11.67 C ATOM 782 CG GLN A 49 -2.086 8.656 4.687 1.00 15.82 C ATOM 783 CD GLN A 49 -3.449 9.312 4.901 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.321 8.907 5.729 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.619 10.470 4.210 1.00 20.67 N ATOM 0 H GLN A 49 0.892 8.988 7.137 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.348 6.685 5.846 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.667 8.520 6.809 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.692 9.709 5.969 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.605 9.135 3.835 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.246 7.612 4.417 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.906 10.779 3.549 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.459 11.030 4.353 1.00 20.67 H new ATOM 794 N LEU A 50 0.985 6.809 3.704 1.00 6.51 N ATOM 795 CA LEU A 50 1.608 6.868 2.414 1.00 7.41 C ATOM 796 C LEU A 50 0.823 7.683 1.363 1.00 8.27 C ATOM 797 O LEU A 50 -0.386 7.461 1.136 1.00 8.34 O ATOM 798 CB LEU A 50 1.998 5.457 1.904 1.00 7.13 C ATOM 799 CG LEU A 50 2.744 4.652 3.005 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.894 3.208 2.503 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.041 5.336 3.532 1.00 9.11 C ATOM 0 H LEU A 50 0.719 5.868 3.994 1.00 6.51 H new ATOM 0 HA LEU A 50 2.529 7.432 2.560 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.102 4.917 1.598 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.632 5.548 1.022 1.00 7.13 H new ATOM 0 HG LEU A 50 2.153 4.630 3.920 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.415 2.614 3.254 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.907 2.781 2.323 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.466 3.203 1.575 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.499 4.708 4.297 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.741 5.472 2.708 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.792 6.307 3.961 1.00 9.11 H new ATOM 813 N GLU A 51 1.515 8.591 0.643 1.00 9.43 N ATOM 814 CA GLU A 51 0.975 9.339 -0.429 1.00 11.90 C ATOM 815 C GLU A 51 1.311 8.798 -1.760 1.00 11.49 C ATOM 816 O GLU A 51 2.360 8.254 -1.968 1.00 9.88 O ATOM 817 CB GLU A 51 1.346 10.902 -0.377 1.00 16.56 C ATOM 818 CG GLU A 51 0.925 11.543 0.968 1.00 26.06 C ATOM 819 CD GLU A 51 0.869 13.025 0.987 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.970 13.615 0.832 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.200 13.639 1.232 1.00 32.13 O ATOM 0 H GLU A 51 2.495 8.805 0.826 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.101 9.240 -0.286 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.419 11.027 -0.520 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.852 11.421 -1.199 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.057 11.158 1.241 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.622 11.215 1.739 1.00 26.06 H new ATOM 828 N ASP A 52 0.299 8.861 -2.720 1.00 12.71 N ATOM 829 CA ASP A 52 0.250 8.209 -4.021 1.00 16.56 C ATOM 830 C ASP A 52 1.227 8.709 -5.087 1.00 15.83 C ATOM 831 O ASP A 52 1.737 7.967 -5.934 1.00 17.21 O ATOM 832 CB ASP A 52 -1.176 8.480 -4.580 1.00 21.05 C ATOM 833 CG ASP A 52 -2.256 8.062 -3.622 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.459 6.824 -3.509 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.937 8.906 -2.950 1.00 25.82 O ATOM 0 H ASP A 52 -0.540 9.416 -2.553 1.00 12.71 H new ATOM 0 HA ASP A 52 0.518 7.168 -3.843 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.281 9.542 -4.801 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.302 7.945 -5.521 1.00 21.05 H new ATOM 840 N GLY A 53 1.591 10.018 -4.962 1.00 15.00 N ATOM 841 CA GLY A 53 2.599 10.675 -5.758 1.00 11.77 C ATOM 842 C GLY A 53 3.991 10.323 -5.460 1.00 11.10 C ATOM 843 O GLY A 53 4.928 10.815 -6.109 1.00 11.25 O ATOM 0 H GLY A 53 1.162 10.639 -4.276 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.406 10.451 -6.807 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.484 11.752 -5.635 1.00 11.77 H new ATOM 847 N ARG A 54 4.213 9.462 -4.471 1.00 8.53 N ATOM 848 CA ARG A 54 5.540 9.141 -3.898 1.00 9.05 C ATOM 849 C ARG A 54 5.864 7.722 -4.360 1.00 8.96 C ATOM 850 O ARG A 54 4.985 6.922 -4.659 1.00 11.60 O ATOM 851 CB ARG A 54 5.460 9.262 -2.357 1.00 7.97 C ATOM 852 CG ARG A 54 5.324 10.727 -1.777 1.00 9.62 C ATOM 853 CD ARG A 54 6.676 11.335 -1.716 1.00 12.20 C ATOM 854 NE ARG A 54 6.513 12.754 -1.312 1.00 18.23 N ATOM 855 CZ ARG A 54 7.558 13.517 -1.069 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.806 13.056 -1.258 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.359 14.775 -0.734 1.00 23.38 N ATOM 0 H ARG A 54 3.456 8.945 -4.023 1.00 8.53 H new ATOM 0 HA ARG A 54 6.327 9.820 -4.226 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.608 8.676 -2.011 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.354 8.807 -1.931 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.667 11.325 -2.409 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.875 10.701 -0.784 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.303 10.803 -1.001 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.170 11.267 -2.685 1.00 12.20 H new ATOM 0 HE ARG A 54 5.575 13.145 -1.221 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.953 12.104 -1.594 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.607 13.658 -1.066 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.409 15.141 -0.667 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.155 15.383 -0.541 1.00 23.38 H new ATOM 871 N THR A 55 7.156 7.270 -4.210 1.00 9.05 N ATOM 872 CA THR A 55 7.645 5.954 -4.505 1.00 9.03 C ATOM 873 C THR A 55 8.018 5.222 -3.214 1.00 8.15 C ATOM 874 O THR A 55 8.348 5.803 -2.172 1.00 5.91 O ATOM 875 CB THR A 55 8.921 5.799 -5.424 1.00 11.15 C ATOM 876 OG1 THR A 55 10.052 6.415 -4.790 1.00 11.95 O ATOM 877 CG2 THR A 55 8.626 6.617 -6.770 1.00 11.71 C ATOM 0 H THR A 55 7.893 7.881 -3.858 1.00 9.05 H new ATOM 0 HA THR A 55 6.800 5.548 -5.061 1.00 9.03 H new ATOM 0 HB THR A 55 9.128 4.745 -5.610 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.829 5.821 -4.858 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.483 6.539 -7.439 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.744 6.205 -7.261 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.450 7.665 -6.528 1.00 11.71 H new ATOM 885 N LEU A 56 8.128 3.876 -3.325 1.00 6.91 N ATOM 886 CA LEU A 56 8.611 2.951 -2.265 1.00 8.29 C ATOM 887 C LEU A 56 10.005 3.298 -1.827 1.00 8.05 C ATOM 888 O LEU A 56 10.207 3.384 -0.608 1.00 10.17 O ATOM 889 CB LEU A 56 8.479 1.431 -2.534 1.00 6.60 C ATOM 890 CG LEU A 56 7.074 0.754 -2.144 1.00 7.73 C ATOM 891 CD1 LEU A 56 5.941 1.332 -3.016 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.118 -0.811 -2.253 1.00 8.64 C ATOM 0 H LEU A 56 7.875 3.386 -4.183 1.00 6.91 H new ATOM 0 HA LEU A 56 7.904 3.126 -1.454 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.660 1.255 -3.594 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.269 0.917 -1.986 1.00 6.60 H new ATOM 0 HG LEU A 56 6.875 0.994 -1.099 1.00 7.73 H new ATOM 0 HD11 LEU A 56 4.996 0.864 -2.741 1.00 9.85 H new ATOM 0 HD12 LEU A 56 5.873 2.408 -2.858 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.152 1.132 -4.066 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.146 -1.222 -1.980 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.359 -1.098 -3.277 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.880 -1.201 -1.578 1.00 8.64 H new ATOM 904 N SER A 57 10.932 3.628 -2.727 1.00 8.92 N ATOM 905 CA SER A 57 12.219 4.236 -2.407 1.00 9.00 C ATOM 906 C SER A 57 12.161 5.568 -1.714 1.00 9.44 C ATOM 907 O SER A 57 13.108 5.952 -1.085 1.00 10.91 O ATOM 908 CB SER A 57 13.198 4.277 -3.674 1.00 10.32 C ATOM 909 OG SER A 57 12.681 5.116 -4.724 1.00 13.59 O ATOM 0 H SER A 57 10.802 3.474 -3.727 1.00 8.92 H new ATOM 0 HA SER A 57 12.640 3.563 -1.660 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.177 4.644 -3.365 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.342 3.266 -4.055 1.00 10.32 H new ATOM 0 HG SER A 57 13.306 5.117 -5.479 1.00 13.59 H new ATOM 915 N ASP A 58 11.067 6.305 -1.854 1.00 9.11 N ATOM 916 CA ASP A 58 10.986 7.653 -1.390 1.00 7.91 C ATOM 917 C ASP A 58 10.202 7.720 -0.061 1.00 9.12 C ATOM 918 O ASP A 58 9.871 8.765 0.458 1.00 8.61 O ATOM 919 CB ASP A 58 10.283 8.559 -2.433 1.00 8.41 C ATOM 920 CG ASP A 58 10.429 10.068 -2.237 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.442 10.509 -1.695 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.493 10.790 -2.677 1.00 11.70 O ATOM 0 H ASP A 58 10.213 5.967 -2.298 1.00 9.11 H new ATOM 0 HA ASP A 58 12.005 8.009 -1.235 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.669 8.305 -3.420 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.220 8.317 -2.434 1.00 8.41 H new ATOM 927 N TYR A 59 9.950 6.530 0.476 1.00 7.97 N ATOM 928 CA TYR A 59 9.425 6.328 1.778 1.00 8.45 C ATOM 929 C TYR A 59 10.231 5.328 2.613 1.00 10.98 C ATOM 930 O TYR A 59 9.774 5.058 3.718 1.00 12.95 O ATOM 931 CB TYR A 59 7.991 5.697 1.600 1.00 7.94 C ATOM 932 CG TYR A 59 6.945 6.707 1.809 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.750 7.360 3.060 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.118 7.031 0.748 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.715 8.324 3.187 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.084 7.968 0.877 1.00 6.52 C ATOM 937 CZ TYR A 59 4.912 8.689 2.120 1.00 6.76 C ATOM 938 OH TYR A 59 3.933 9.754 2.244 1.00 7.63 O ATOM 0 H TYR A 59 10.121 5.658 -0.024 1.00 7.97 H new ATOM 0 HA TYR A 59 9.439 7.290 2.291 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.898 5.272 0.601 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.859 4.879 2.308 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.383 7.124 3.903 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.274 6.549 -0.206 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.549 8.788 4.148 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.416 8.152 0.049 1.00 6.52 H new ATOM 0 HH TYR A 59 4.040 10.384 1.501 1.00 7.63 H new ATOM 948 N ASN A 60 11.397 4.806 2.130 1.00 12.38 N ATOM 949 CA ASN A 60 12.177 3.788 2.780 1.00 13.94 C ATOM 950 C ASN A 60 11.350 2.490 3.044 1.00 14.16 C ATOM 951 O ASN A 60 11.513 1.797 4.067 1.00 14.26 O ATOM 952 CB ASN A 60 12.720 4.392 4.096 1.00 19.23 C ATOM 953 CG ASN A 60 13.498 5.624 3.775 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.169 6.739 4.279 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.550 5.528 2.951 1.00 24.09 N ATOM 0 H ASN A 60 11.806 5.113 1.247 1.00 12.38 H new ATOM 0 HA ASN A 60 12.999 3.483 2.132 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.897 4.630 4.770 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.353 3.669 4.610 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.097 6.358 2.723 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.804 4.624 2.552 1.00 24.09 H new ATOM 962 N ILE A 61 10.492 2.121 2.097 1.00 11.08 N ATOM 963 CA ILE A 61 9.885 0.818 2.077 1.00 11.78 C ATOM 964 C ILE A 61 10.904 -0.104 1.508 1.00 13.74 C ATOM 965 O ILE A 61 11.577 0.185 0.486 1.00 14.60 O ATOM 966 CB ILE A 61 8.541 0.696 1.432 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.610 1.555 2.286 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.980 -0.701 1.430 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.270 1.988 1.690 1.00 11.42 C ATOM 0 H ILE A 61 10.206 2.726 1.327 1.00 11.08 H new ATOM 0 HA ILE A 61 9.618 0.556 3.101 1.00 11.78 H new ATOM 0 HB ILE A 61 8.629 0.996 0.388 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.403 1.007 3.205 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.155 2.456 2.568 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.004 -0.701 0.944 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.655 -1.363 0.888 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.874 -1.052 2.456 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.726 2.590 2.417 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.446 2.577 0.790 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.682 1.106 1.437 1.00 11.42 H new ATOM 981 N GLN A 62 11.120 -1.180 2.202 1.00 13.97 N ATOM 982 CA GLN A 62 12.132 -2.150 1.859 1.00 15.52 C ATOM 983 C GLN A 62 11.493 -3.516 1.809 1.00 13.94 C ATOM 984 O GLN A 62 10.360 -3.741 2.285 1.00 12.15 O ATOM 985 CB GLN A 62 13.275 -2.174 2.893 1.00 19.53 C ATOM 986 CG GLN A 62 12.841 -2.267 4.339 1.00 26.38 C ATOM 987 CD GLN A 62 13.882 -2.036 5.389 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.792 -1.202 5.193 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.905 -2.780 6.546 1.00 32.71 N ATOM 0 H GLN A 62 10.591 -1.419 3.040 1.00 13.97 H new ATOM 0 HA GLN A 62 12.555 -1.875 0.893 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.925 -3.021 2.671 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.874 -1.272 2.768 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.039 -1.546 4.496 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.415 -3.258 4.499 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.172 -3.466 6.726 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.655 -2.645 7.224 1.00 32.71 H new ATOM 998 N LYS A 63 12.240 -4.521 1.376 1.00 11.73 N ATOM 999 CA LYS A 63 11.981 -5.945 1.460 1.00 11.97 C ATOM 1000 C LYS A 63 11.337 -6.419 2.708 1.00 10.41 C ATOM 1001 O LYS A 63 11.892 -6.337 3.808 1.00 9.59 O ATOM 1002 CB LYS A 63 13.255 -6.786 1.139 1.00 13.73 C ATOM 1003 CG LYS A 63 13.047 -8.292 1.200 1.00 16.98 C ATOM 1004 CD LYS A 63 14.362 -8.978 0.809 1.00 20.19 C ATOM 1005 CE LYS A 63 14.382 -10.478 0.937 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.458 -10.907 2.356 1.00 25.97 N ATOM 0 H LYS A 63 13.130 -4.338 0.912 1.00 11.73 H new ATOM 0 HA LYS A 63 11.231 -6.110 0.687 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.609 -6.521 0.143 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.043 -6.512 1.841 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.746 -8.593 2.203 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.247 -8.592 0.524 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.593 -8.717 -0.224 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.161 -8.569 1.427 1.00 20.19 H new ATOM 0 HE2 LYS A 63 13.485 -10.894 0.479 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.235 -10.879 0.390 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.504 -11.945 2.403 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.309 -10.502 2.796 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.614 -10.575 2.865 1.00 25.97 H new ATOM 1020 N GLU A 64 10.142 -7.071 2.566 1.00 10.04 N ATOM 1021 CA GLU A 64 9.300 -7.713 3.570 1.00 10.94 C ATOM 1022 C GLU A 64 8.844 -6.751 4.668 1.00 9.74 C ATOM 1023 O GLU A 64 8.575 -7.124 5.850 1.00 9.42 O ATOM 1024 CB GLU A 64 10.004 -8.930 4.185 1.00 18.31 C ATOM 1025 CG GLU A 64 10.263 -10.031 3.108 1.00 24.16 C ATOM 1026 CD GLU A 64 11.222 -11.121 3.543 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.309 -10.856 4.113 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.869 -12.285 3.237 1.00 31.72 O ATOM 0 H GLU A 64 9.721 -7.156 1.641 1.00 10.04 H new ATOM 0 HA GLU A 64 8.404 -8.048 3.047 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.950 -8.621 4.629 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.393 -9.340 4.989 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.311 -10.488 2.838 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.656 -9.557 2.209 1.00 24.16 H new ATOM 1035 N SER A 65 8.599 -5.445 4.305 1.00 6.85 N ATOM 1036 CA SER A 65 7.834 -4.496 4.995 1.00 6.90 C ATOM 1037 C SER A 65 6.413 -4.842 5.177 1.00 4.72 C ATOM 1038 O SER A 65 5.771 -5.016 4.195 1.00 3.91 O ATOM 1039 CB SER A 65 7.922 -3.034 4.367 1.00 7.28 C ATOM 1040 OG SER A 65 9.268 -2.479 4.345 1.00 10.56 O ATOM 0 H SER A 65 8.989 -5.059 3.445 1.00 6.85 H new ATOM 0 HA SER A 65 8.302 -4.503 5.979 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.535 -3.063 3.348 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.274 -2.366 4.935 1.00 7.28 H new ATOM 0 HG SER A 65 9.847 -3.046 3.794 1.00 10.56 H new ATOM 1046 N THR A 66 5.856 -4.741 6.361 1.00 4.48 N ATOM 1047 CA THR A 66 4.423 -4.787 6.544 1.00 3.80 C ATOM 1048 C THR A 66 3.816 -3.386 6.424 1.00 4.60 C ATOM 1049 O THR A 66 4.090 -2.436 7.167 1.00 5.33 O ATOM 1050 CB THR A 66 4.214 -5.167 8.023 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.574 -6.529 8.265 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.703 -5.066 8.410 1.00 3.40 C ATOM 0 H THR A 66 6.384 -4.624 7.226 1.00 4.48 H new ATOM 0 HA THR A 66 3.979 -5.464 5.814 1.00 3.80 H new ATOM 0 HB THR A 66 4.833 -4.482 8.603 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.433 -6.741 9.211 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.577 -5.338 9.458 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.356 -4.044 8.256 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.121 -5.745 7.786 1.00 3.40 H new ATOM 1060 N LEU A 67 2.841 -3.212 5.527 1.00 4.17 N ATOM 1061 CA LEU A 67 2.122 -2.010 5.339 1.00 3.85 C ATOM 1062 C LEU A 67 0.677 -2.379 5.753 1.00 3.80 C ATOM 1063 O LEU A 67 0.344 -3.572 5.840 1.00 5.54 O ATOM 1064 CB LEU A 67 2.174 -1.558 3.837 1.00 7.18 C ATOM 1065 CG LEU A 67 3.558 -1.513 3.263 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.439 -1.254 1.687 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.553 -0.496 3.849 1.00 11.66 C ATOM 0 H LEU A 67 2.540 -3.957 4.898 1.00 4.17 H new ATOM 0 HA LEU A 67 2.528 -1.179 5.916 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.566 -2.240 3.242 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.723 -0.570 3.750 1.00 7.18 H new ATOM 0 HG LEU A 67 3.986 -2.479 3.531 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.436 -1.217 1.248 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.870 -2.062 1.227 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.930 -0.306 1.511 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.509 -0.583 3.333 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.161 0.513 3.719 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.695 -0.696 4.911 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.113 -1.378 6.185 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.407 -1.560 6.721 1.00 4.17 C ATOM 1081 C HIS A 68 -2.340 -0.963 5.762 1.00 5.32 C ATOM 1082 O HIS A 68 -2.127 0.140 5.250 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.469 -0.881 8.114 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.322 -1.395 9.011 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.922 -0.824 9.008 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.306 -2.368 9.910 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.672 -1.490 9.900 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.994 -2.424 10.457 1.00 16.30 N ATOM 0 H HIS A 68 0.174 -0.400 6.154 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.665 -2.609 6.867 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.396 0.201 8.003 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.430 -1.089 8.585 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.224 -0.037 8.433 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.138 -3.004 10.176 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.706 -1.269 10.119 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.431 -1.715 5.393 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.381 -1.227 4.497 1.00 3.97 C ATOM 1098 C LEU A 69 -5.656 -0.868 5.257 1.00 5.07 C ATOM 1099 O LEU A 69 -6.422 -1.763 5.761 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.784 -2.265 3.421 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.748 -1.854 2.317 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.260 -0.587 1.617 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.943 -3.030 1.343 1.00 9.96 C ATOM 0 H LEU A 69 -3.619 -2.656 5.738 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.927 -0.365 4.008 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.869 -2.615 2.944 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.221 -3.120 3.937 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.720 -1.613 2.747 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.964 -0.311 0.832 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.188 0.224 2.341 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.279 -0.769 1.178 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.633 -2.737 0.552 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.983 -3.302 0.904 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.351 -3.885 1.882 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.963 0.460 5.318 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.262 1.034 5.706 1.00 6.26 C ATOM 1117 C VAL A 70 -8.082 1.208 4.484 1.00 9.22 C ATOM 1118 O VAL A 70 -7.671 1.900 3.522 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.249 2.357 6.583 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.571 2.650 7.263 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.122 2.286 7.672 1.00 8.54 C ATOM 0 H VAL A 70 -5.277 1.178 5.087 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.697 0.311 6.396 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.057 3.170 5.883 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.486 3.568 7.844 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.349 2.768 6.509 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.830 1.824 7.926 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.129 3.202 8.263 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.300 1.431 8.325 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.153 2.175 7.186 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.320 0.725 4.548 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.276 1.009 3.517 1.00 16.06 C ATOM 1133 C LEU A 71 -11.243 2.088 3.906 1.00 18.09 C ATOM 1134 O LEU A 71 -11.847 2.059 5.011 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.038 -0.296 3.070 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.115 -1.484 2.610 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.984 -2.709 2.201 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.145 -1.036 1.475 1.00 19.57 C ATOM 0 H LEU A 71 -9.670 0.139 5.306 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.710 1.385 2.665 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.658 -0.638 3.899 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.712 -0.042 2.252 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.488 -1.790 3.447 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.335 -3.526 1.884 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.583 -3.031 3.053 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.643 -2.429 1.379 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.520 -1.878 1.178 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.723 -0.692 0.617 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.513 -0.224 1.836 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.350 3.092 2.990 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.081 4.349 3.246 1.00 25.83 C ATOM 1152 C ARG A 72 -12.082 5.233 2.003 1.00 27.74 C ATOM 1153 O ARG A 72 -11.069 5.389 1.359 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.275 5.157 4.303 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.991 6.387 4.804 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.406 6.826 6.119 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.815 8.267 6.317 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.433 8.937 7.410 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.785 8.418 8.410 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.747 10.192 7.436 1.00 35.02 N ATOM 0 H ARG A 72 -10.931 3.045 2.061 1.00 21.47 H new ATOM 0 HA ARG A 72 -13.096 4.101 3.556 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.051 4.508 5.150 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.321 5.455 3.869 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.905 7.191 4.073 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -13.054 6.176 4.922 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.775 6.203 6.934 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.320 6.729 6.111 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.387 8.732 5.612 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.532 7.430 8.396 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.530 8.999 9.209 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.254 10.607 6.654 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.488 10.766 8.238 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.248 5.802 1.615 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.557 6.809 0.564 1.00 30.76 C ATOM 1176 C LEU A 73 -12.713 8.044 0.673 1.00 32.18 C ATOM 1177 O LEU A 73 -12.387 8.536 1.769 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.064 7.178 0.612 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.028 6.005 0.354 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.387 6.473 0.891 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.132 5.525 -1.128 1.00 29.11 C ATOM 0 H LEU A 73 -14.108 5.532 2.093 1.00 28.93 H new ATOM 0 HA LEU A 73 -13.319 6.353 -0.397 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.288 7.604 1.590 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.256 7.956 -0.127 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.646 5.117 0.859 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.127 5.687 0.742 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.301 6.693 1.955 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.699 7.371 0.358 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.837 4.697 -1.193 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.479 6.348 -1.753 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.152 5.195 -1.473 1.00 29.11 H new ATOM 1193 N ARG A 74 -12.265 8.620 -0.490 1.00 33.82 N ATOM 1194 CA ARG A 74 -11.318 9.728 -0.519 1.00 35.33 C ATOM 1195 C ARG A 74 -11.900 11.051 -0.252 1.00 36.22 C ATOM 1196 O ARG A 74 -11.205 12.007 0.180 1.00 36.70 O ATOM 1197 CB ARG A 74 -10.529 9.744 -1.873 1.00 36.91 C ATOM 1198 CG ARG A 74 -9.344 10.631 -2.069 1.00 38.62 C ATOM 1199 CD ARG A 74 -8.419 10.205 -3.223 1.00 39.75 C ATOM 1200 NE ARG A 74 -7.283 11.107 -3.194 1.00 41.13 N ATOM 1201 CZ ARG A 74 -6.625 11.479 -4.294 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -6.767 10.906 -5.468 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -5.740 12.480 -4.153 1.00 41.93 N ATOM 0 H ARG A 74 -12.564 8.313 -1.416 1.00 33.82 H new ATOM 0 HA ARG A 74 -10.638 9.539 0.312 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -10.196 8.723 -2.059 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -11.246 9.993 -2.656 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -9.692 11.647 -2.254 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -8.766 10.655 -1.145 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -8.097 9.171 -3.100 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -8.938 10.266 -4.179 1.00 39.75 H new ATOM 0 HE ARG A 74 -6.974 11.473 -2.294 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -7.413 10.125 -5.579 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -6.231 11.243 -6.268 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -5.601 12.913 -3.240 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -5.207 12.807 -4.959 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.224 11.258 -0.395 1.00 36.31 N ATOM 1218 CA GLY A 75 -13.940 12.514 -0.219 1.00 36.07 C ATOM 1219 C GLY A 75 -14.225 12.901 1.253 1.00 36.16 C ATOM 1220 O GLY A 75 -14.782 13.953 1.523 1.00 36.26 O ATOM 0 H GLY A 75 -13.852 10.497 -0.653 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -13.363 13.313 -0.684 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -14.888 12.453 -0.754 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.770 12.023 2.238 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.016 12.222 3.662 1.00 36.19 C ATOM 1226 C GLY A 76 -13.005 11.411 4.476 1.00 36.20 C ATOM 1227 O GLY A 76 -13.425 10.538 5.310 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.801 11.677 4.343 1.00 0.00 O ATOM 0 H GLY A 76 -13.234 11.181 2.029 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.934 13.280 3.911 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.031 11.914 3.913 1.00 36.19 H new TER 1232 GLY A 76