USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 723 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 83 HIS : no HE2:sc= 0.82 K(o=0.82,f=-2.6!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc=-0.000332 USER MOD Set 2.1: A 62 ASN : amide:sc= 0.989 X(o=1.9,f=1.7) USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0.913 USER MOD Set 3.1: A 13 GLN : amide:sc= 1.2 K(o=2,f=-4.5!) USER MOD Set 3.2: A 36 ASN : amide:sc= 0.815 K(o=2,f=0.45) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.041 (180deg=-1.33) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.143 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.941 K(o=0.94,f=-2.3) USER MOD Single : A 4 TYR OH : rot 111:sc= 1.7 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.6) USER MOD Single : A 23 MET CE :methyl 151:sc= 0 (180deg=-1.27) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.17) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 2.22 (180deg=2.02) USER MOD Single : A 35 LYS NZ :NH3+ 146:sc= 1.25 (180deg=0.831) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.889 K(o=0.89,f=-0.31) USER MOD Single : A 55 SER OG : rot 69:sc= 1.28 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -151:sc= 0.623 USER MOD Single : A 68 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0238) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0246 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 84 HIS : no HE2:sc= 0.549 K(o=0.55,f=-2.5!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.00146 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.212 -0.760 1.747 1.00 0.00 N ATOM 2 CA MET A 1 2.623 -0.384 0.437 1.00 0.00 C ATOM 3 C MET A 1 2.754 -1.558 -0.554 1.00 0.00 C ATOM 4 O MET A 1 3.208 -2.638 -0.165 1.00 0.00 O ATOM 5 CB MET A 1 3.228 0.941 -0.083 1.00 0.00 C ATOM 6 CG MET A 1 2.178 1.779 -0.825 1.00 0.00 C ATOM 7 SD MET A 1 2.770 3.288 -1.642 1.00 0.00 S ATOM 8 CE MET A 1 3.941 2.589 -2.838 1.00 0.00 C ATOM 0 H1 MET A 1 2.505 -0.623 2.498 1.00 0.00 H new ATOM 0 H2 MET A 1 3.503 -1.758 1.723 1.00 0.00 H new ATOM 0 H3 MET A 1 4.041 -0.163 1.939 1.00 0.00 H new ATOM 0 HA MET A 1 1.557 -0.191 0.555 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.629 1.514 0.754 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.062 0.725 -0.750 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.707 1.146 -1.578 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.401 2.059 -0.114 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.025 3.255 -3.697 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.918 2.478 -2.368 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.585 1.613 -3.169 1.00 0.00 H new ATOM 20 N LEU A 2 2.338 -1.404 -1.820 1.00 0.00 N ATOM 21 CA LEU A 2 2.195 -2.495 -2.777 1.00 0.00 C ATOM 22 C LEU A 2 2.668 -2.028 -4.163 1.00 0.00 C ATOM 23 O LEU A 2 3.135 -0.898 -4.336 1.00 0.00 O ATOM 24 CB LEU A 2 0.711 -2.915 -2.791 1.00 0.00 C ATOM 25 CG LEU A 2 0.492 -4.406 -3.096 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.668 -5.242 -1.826 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.905 -4.651 -3.671 1.00 0.00 C ATOM 0 H LEU A 2 2.088 -0.495 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 2 2.807 -3.352 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.268 -2.683 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.181 -2.320 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 2 1.235 -4.705 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.510 -6.295 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.677 -5.104 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.057 -4.923 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.032 -5.714 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.657 -4.329 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.022 -4.085 -4.595 1.00 0.00 H new ATOM 39 N GLN A 3 2.573 -2.906 -5.157 1.00 0.00 N ATOM 40 CA GLN A 3 3.007 -2.691 -6.528 1.00 0.00 C ATOM 41 C GLN A 3 2.198 -3.615 -7.443 1.00 0.00 C ATOM 42 O GLN A 3 1.717 -4.652 -6.979 1.00 0.00 O ATOM 43 CB GLN A 3 4.520 -2.983 -6.553 1.00 0.00 C ATOM 44 CG GLN A 3 5.158 -3.247 -7.920 1.00 0.00 C ATOM 45 CD GLN A 3 6.674 -3.353 -7.808 1.00 0.00 C ATOM 46 OE1 GLN A 3 7.216 -3.820 -6.810 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.380 -2.886 -8.819 1.00 0.00 N ATOM 0 H GLN A 3 2.170 -3.833 -5.018 1.00 0.00 H new ATOM 0 HA GLN A 3 2.839 -1.674 -6.884 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.035 -2.137 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.708 -3.850 -5.919 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.756 -4.169 -8.340 1.00 0.00 H new ATOM 0 HG3 GLN A 3 4.897 -2.443 -8.608 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.907 -2.503 -9.637 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.399 -2.908 -8.783 1.00 0.00 H new ATOM 56 N TYR A 4 2.103 -3.284 -8.735 1.00 0.00 N ATOM 57 CA TYR A 4 1.623 -4.195 -9.771 1.00 0.00 C ATOM 58 C TYR A 4 2.700 -4.416 -10.831 1.00 0.00 C ATOM 59 O TYR A 4 3.626 -3.612 -10.981 1.00 0.00 O ATOM 60 CB TYR A 4 0.274 -3.745 -10.386 1.00 0.00 C ATOM 61 CG TYR A 4 0.211 -2.449 -11.202 1.00 0.00 C ATOM 62 CD1 TYR A 4 1.091 -2.183 -12.275 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.825 -1.528 -10.946 1.00 0.00 C ATOM 64 CE1 TYR A 4 1.022 -0.970 -12.976 1.00 0.00 C ATOM 65 CE2 TYR A 4 -0.903 -0.312 -11.645 1.00 0.00 C ATOM 66 CZ TYR A 4 0.042 -0.013 -12.650 1.00 0.00 C ATOM 67 OH TYR A 4 0.025 1.174 -13.315 1.00 0.00 O ATOM 0 H TYR A 4 2.361 -2.364 -9.092 1.00 0.00 H new ATOM 0 HA TYR A 4 1.420 -5.154 -9.295 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.078 -4.553 -11.028 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.442 -3.652 -9.570 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.825 -2.922 -12.559 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.571 -1.761 -10.200 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.725 -0.769 -13.771 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.686 0.394 -11.413 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.765 1.213 -13.894 1.00 0.00 H new ATOM 77 N ARG A 5 2.496 -5.454 -11.642 1.00 0.00 N ATOM 78 CA ARG A 5 3.069 -5.615 -12.971 1.00 0.00 C ATOM 79 C ARG A 5 1.925 -6.167 -13.816 1.00 0.00 C ATOM 80 O ARG A 5 1.224 -7.076 -13.370 1.00 0.00 O ATOM 81 CB ARG A 5 4.286 -6.552 -12.911 1.00 0.00 C ATOM 82 CG ARG A 5 5.035 -6.645 -14.251 1.00 0.00 C ATOM 83 CD ARG A 5 6.265 -7.548 -14.087 1.00 0.00 C ATOM 84 NE ARG A 5 7.058 -7.647 -15.323 1.00 0.00 N ATOM 85 CZ ARG A 5 8.157 -8.392 -15.491 1.00 0.00 C ATOM 86 NH1 ARG A 5 8.638 -9.152 -14.510 1.00 0.00 N ATOM 87 NH2 ARG A 5 8.761 -8.356 -16.670 1.00 0.00 N ATOM 0 H ARG A 5 1.900 -6.238 -11.375 1.00 0.00 H new ATOM 0 HA ARG A 5 3.448 -4.687 -13.400 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.972 -6.200 -12.141 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.957 -7.548 -12.614 1.00 0.00 H new ATOM 0 HG2 ARG A 5 4.376 -7.046 -15.021 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.341 -5.651 -14.579 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.893 -7.159 -13.286 1.00 0.00 H new ATOM 0 HD3 ARG A 5 5.943 -8.544 -13.785 1.00 0.00 H new ATOM 0 HE ARG A 5 6.742 -7.099 -16.123 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.167 -9.175 -13.605 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.477 -9.711 -14.663 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.386 -7.772 -17.417 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.601 -8.912 -16.830 1.00 0.00 H new ATOM 101 N ILE A 6 1.676 -5.589 -14.985 1.00 0.00 N ATOM 102 CA ILE A 6 0.475 -5.829 -15.779 1.00 0.00 C ATOM 103 C ILE A 6 0.934 -5.969 -17.225 1.00 0.00 C ATOM 104 O ILE A 6 1.887 -5.303 -17.637 1.00 0.00 O ATOM 105 CB ILE A 6 -0.524 -4.654 -15.591 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.039 -4.576 -14.140 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.714 -4.730 -16.567 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.836 -3.304 -13.837 1.00 0.00 C ATOM 0 H ILE A 6 2.318 -4.925 -15.418 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.050 -6.733 -15.469 1.00 0.00 H new ATOM 0 HB ILE A 6 0.034 -3.745 -15.816 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.667 -5.444 -13.940 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.190 -4.633 -13.459 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.381 -3.886 -16.393 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.346 -4.697 -17.593 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.257 -5.661 -16.406 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.165 -3.320 -12.798 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.205 -2.431 -14.004 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.705 -3.255 -14.493 1.00 0.00 H new ATOM 120 N ILE A 7 0.236 -6.799 -18.000 1.00 0.00 N ATOM 121 CA ILE A 7 0.453 -6.973 -19.428 1.00 0.00 C ATOM 122 C ILE A 7 -0.921 -6.877 -20.098 1.00 0.00 C ATOM 123 O ILE A 7 -1.888 -7.439 -19.576 1.00 0.00 O ATOM 124 CB ILE A 7 1.166 -8.314 -19.772 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.609 -9.234 -18.602 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.352 -8.032 -20.704 1.00 0.00 C ATOM 127 CD1 ILE A 7 2.899 -8.842 -17.863 1.00 0.00 C ATOM 0 H ILE A 7 -0.517 -7.384 -17.637 1.00 0.00 H new ATOM 0 HA ILE A 7 1.125 -6.198 -19.797 1.00 0.00 H new ATOM 0 HB ILE A 7 0.384 -8.904 -20.250 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.799 -9.272 -17.874 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.735 -10.244 -18.993 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.854 -8.968 -20.947 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.992 -7.565 -21.620 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.054 -7.362 -20.207 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.098 -9.563 -17.070 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.733 -8.836 -18.565 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.782 -7.849 -17.429 1.00 0.00 H new ATOM 139 N VAL A 8 -1.025 -6.169 -21.227 1.00 0.00 N ATOM 140 CA VAL A 8 -2.285 -5.939 -21.937 1.00 0.00 C ATOM 141 C VAL A 8 -2.087 -5.994 -23.451 1.00 0.00 C ATOM 142 O VAL A 8 -0.997 -5.708 -23.948 1.00 0.00 O ATOM 143 CB VAL A 8 -2.914 -4.586 -21.529 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.392 -4.594 -20.079 1.00 0.00 C ATOM 145 CG2 VAL A 8 -2.000 -3.369 -21.734 1.00 0.00 C ATOM 0 H VAL A 8 -0.222 -5.733 -21.680 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.969 -6.738 -21.653 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.760 -4.479 -22.208 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.827 -3.625 -19.834 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.143 -5.373 -19.948 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.547 -4.790 -19.419 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.523 -2.465 -21.422 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.095 -3.489 -21.138 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.733 -3.288 -22.788 1.00 0.00 H new ATOM 155 N ASP A 9 -3.159 -6.287 -24.186 1.00 0.00 N ATOM 156 CA ASP A 9 -3.267 -6.138 -25.637 1.00 0.00 C ATOM 157 C ASP A 9 -4.688 -5.656 -25.954 1.00 0.00 C ATOM 158 O ASP A 9 -5.594 -5.842 -25.139 1.00 0.00 O ATOM 159 CB ASP A 9 -2.944 -7.460 -26.345 1.00 0.00 C ATOM 160 CG ASP A 9 -3.138 -7.364 -27.867 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.688 -6.368 -28.475 1.00 0.00 O ATOM 162 OD2 ASP A 9 -3.732 -8.292 -28.461 1.00 0.00 O ATOM 0 H ASP A 9 -4.015 -6.651 -23.767 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.545 -5.408 -26.001 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.914 -7.744 -26.129 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.583 -8.249 -25.948 1.00 0.00 H new ATOM 167 N GLY A 10 -4.881 -4.990 -27.092 1.00 0.00 N ATOM 168 CA GLY A 10 -6.092 -4.268 -27.465 1.00 0.00 C ATOM 169 C GLY A 10 -5.695 -3.092 -28.357 1.00 0.00 C ATOM 170 O GLY A 10 -4.608 -3.117 -28.943 1.00 0.00 O ATOM 0 H GLY A 10 -4.161 -4.938 -27.812 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.781 -4.929 -27.992 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.611 -3.911 -26.575 1.00 0.00 H new ATOM 174 N ARG A 11 -6.506 -2.026 -28.419 1.00 0.00 N ATOM 175 CA ARG A 11 -5.918 -0.721 -28.738 1.00 0.00 C ATOM 176 C ARG A 11 -5.267 -0.274 -27.443 1.00 0.00 C ATOM 177 O ARG A 11 -5.962 0.200 -26.543 1.00 0.00 O ATOM 178 CB ARG A 11 -6.920 0.329 -29.258 1.00 0.00 C ATOM 179 CG ARG A 11 -6.273 1.727 -29.438 1.00 0.00 C ATOM 180 CD ARG A 11 -5.060 1.806 -30.377 1.00 0.00 C ATOM 181 NE ARG A 11 -5.358 1.401 -31.759 1.00 0.00 N ATOM 182 CZ ARG A 11 -4.479 1.438 -32.770 1.00 0.00 C ATOM 183 NH1 ARG A 11 -3.227 1.849 -32.571 1.00 0.00 N ATOM 184 NH2 ARG A 11 -4.858 1.057 -33.986 1.00 0.00 N ATOM 0 H ARG A 11 -7.514 -2.036 -28.262 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.216 -0.818 -29.566 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.329 -0.004 -30.212 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.756 0.405 -28.562 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.036 2.411 -29.809 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.969 2.091 -28.457 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.680 2.828 -30.381 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.265 1.171 -29.985 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.301 1.068 -31.963 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.928 2.140 -31.640 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.568 1.872 -33.349 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.814 0.739 -34.146 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.193 1.083 -34.759 1.00 0.00 H new ATOM 198 N VAL A 12 -3.955 -0.455 -27.366 1.00 0.00 N ATOM 199 CA VAL A 12 -3.151 -0.125 -26.198 1.00 0.00 C ATOM 200 C VAL A 12 -1.885 0.645 -26.608 1.00 0.00 C ATOM 201 O VAL A 12 -1.027 0.876 -25.757 1.00 0.00 O ATOM 202 CB VAL A 12 -2.855 -1.413 -25.385 1.00 0.00 C ATOM 203 CG1 VAL A 12 -4.119 -1.959 -24.702 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.245 -2.549 -26.228 1.00 0.00 C ATOM 0 H VAL A 12 -3.408 -0.845 -28.133 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.707 0.544 -25.542 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.122 -1.101 -24.641 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.870 -2.861 -24.143 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.517 -1.208 -24.020 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.868 -2.196 -25.458 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.065 -3.417 -25.593 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.935 -2.820 -27.027 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.302 -2.215 -26.661 1.00 0.00 H new ATOM 214 N GLN A 13 -1.725 1.026 -27.887 1.00 0.00 N ATOM 215 CA GLN A 13 -0.570 1.778 -28.377 1.00 0.00 C ATOM 216 C GLN A 13 -0.989 2.815 -29.413 1.00 0.00 C ATOM 217 O GLN A 13 -1.981 2.633 -30.125 1.00 0.00 O ATOM 218 CB GLN A 13 0.479 0.859 -29.038 1.00 0.00 C ATOM 219 CG GLN A 13 1.132 -0.214 -28.159 1.00 0.00 C ATOM 220 CD GLN A 13 2.150 0.335 -27.160 1.00 0.00 C ATOM 221 OE1 GLN A 13 3.351 0.356 -27.418 1.00 0.00 O ATOM 222 NE2 GLN A 13 1.731 0.763 -25.985 1.00 0.00 N ATOM 0 H GLN A 13 -2.407 0.814 -28.615 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.135 2.263 -27.503 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.004 0.359 -29.883 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.270 1.489 -29.444 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.353 -0.745 -27.613 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.625 -0.944 -28.801 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.736 0.749 -25.762 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.402 1.108 -25.299 1.00 0.00 H new ATOM 231 N GLY A 14 -0.183 3.875 -29.505 1.00 0.00 N ATOM 232 CA GLY A 14 -0.301 4.992 -30.431 1.00 0.00 C ATOM 233 C GLY A 14 -0.061 6.291 -29.662 1.00 0.00 C ATOM 234 O GLY A 14 -0.033 6.287 -28.426 1.00 0.00 O ATOM 0 H GLY A 14 0.624 3.978 -28.889 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.424 4.892 -31.239 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.290 5.001 -30.889 1.00 0.00 H new ATOM 238 N VAL A 15 0.093 7.409 -30.373 1.00 0.00 N ATOM 239 CA VAL A 15 0.158 8.730 -29.748 1.00 0.00 C ATOM 240 C VAL A 15 -1.166 8.975 -29.009 1.00 0.00 C ATOM 241 O VAL A 15 -2.242 8.776 -29.577 1.00 0.00 O ATOM 242 CB VAL A 15 0.507 9.824 -30.783 1.00 0.00 C ATOM 243 CG1 VAL A 15 1.970 9.674 -31.231 1.00 0.00 C ATOM 244 CG2 VAL A 15 -0.386 9.836 -32.038 1.00 0.00 C ATOM 0 H VAL A 15 0.176 7.425 -31.390 1.00 0.00 H new ATOM 0 HA VAL A 15 0.966 8.773 -29.017 1.00 0.00 H new ATOM 0 HB VAL A 15 0.334 10.768 -30.266 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.208 10.448 -31.960 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.627 9.774 -30.367 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.113 8.693 -31.684 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.066 10.636 -32.705 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.302 8.879 -32.553 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.423 10.001 -31.745 1.00 0.00 H new ATOM 254 N GLY A 16 -1.102 9.310 -27.717 1.00 0.00 N ATOM 255 CA GLY A 16 -2.263 9.362 -26.828 1.00 0.00 C ATOM 256 C GLY A 16 -2.720 7.962 -26.408 1.00 0.00 C ATOM 257 O GLY A 16 -2.898 7.695 -25.218 1.00 0.00 O ATOM 0 H GLY A 16 -0.227 9.556 -27.253 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.016 9.945 -25.941 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.082 9.877 -27.330 1.00 0.00 H new ATOM 261 N PHE A 17 -2.824 7.036 -27.364 1.00 0.00 N ATOM 262 CA PHE A 17 -3.298 5.674 -27.161 1.00 0.00 C ATOM 263 C PHE A 17 -2.404 4.800 -26.260 1.00 0.00 C ATOM 264 O PHE A 17 -2.861 3.717 -25.894 1.00 0.00 O ATOM 265 CB PHE A 17 -3.558 4.992 -28.512 1.00 0.00 C ATOM 266 CG PHE A 17 -4.682 5.576 -29.349 1.00 0.00 C ATOM 267 CD1 PHE A 17 -6.017 5.212 -29.089 1.00 0.00 C ATOM 268 CD2 PHE A 17 -4.397 6.437 -30.428 1.00 0.00 C ATOM 269 CE1 PHE A 17 -7.058 5.705 -29.894 1.00 0.00 C ATOM 270 CE2 PHE A 17 -5.440 6.941 -31.225 1.00 0.00 C ATOM 271 CZ PHE A 17 -6.771 6.576 -30.960 1.00 0.00 C ATOM 0 H PHE A 17 -2.570 7.225 -28.334 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.233 5.771 -26.609 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.639 5.029 -29.097 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.777 3.940 -28.329 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.242 4.550 -28.266 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.375 6.710 -30.643 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.079 5.415 -29.694 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.218 7.610 -32.043 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.571 6.963 -31.573 1.00 0.00 H new ATOM 281 N ARG A 18 -1.205 5.240 -25.832 1.00 0.00 N ATOM 282 CA ARG A 18 -0.569 4.713 -24.604 1.00 0.00 C ATOM 283 C ARG A 18 -0.374 5.756 -23.503 1.00 0.00 C ATOM 284 O ARG A 18 -0.128 5.373 -22.360 1.00 0.00 O ATOM 285 CB ARG A 18 0.707 3.894 -24.881 1.00 0.00 C ATOM 286 CG ARG A 18 2.030 4.651 -25.122 1.00 0.00 C ATOM 287 CD ARG A 18 3.154 3.605 -25.258 1.00 0.00 C ATOM 288 NE ARG A 18 4.487 4.170 -25.532 1.00 0.00 N ATOM 289 CZ ARG A 18 5.498 3.502 -26.117 1.00 0.00 C ATOM 290 NH1 ARG A 18 5.330 2.324 -26.706 1.00 0.00 N ATOM 291 NH2 ARG A 18 6.727 3.993 -26.128 1.00 0.00 N ATOM 0 H ARG A 18 -0.659 5.954 -26.313 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.298 4.010 -24.202 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.859 3.221 -24.037 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.518 3.271 -25.755 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.963 5.259 -26.024 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.238 5.330 -24.295 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.203 3.022 -24.338 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.895 2.914 -26.060 1.00 0.00 H new ATOM 0 HE ARG A 18 4.656 5.138 -25.258 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.407 1.891 -26.727 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.124 1.852 -27.138 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.921 4.893 -25.688 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.480 3.472 -26.576 1.00 0.00 H new ATOM 305 N TYR A 19 -0.547 7.050 -23.790 1.00 0.00 N ATOM 306 CA TYR A 19 -0.592 8.082 -22.754 1.00 0.00 C ATOM 307 C TYR A 19 -1.739 7.815 -21.779 1.00 0.00 C ATOM 308 O TYR A 19 -1.593 8.104 -20.592 1.00 0.00 O ATOM 309 CB TYR A 19 -0.753 9.481 -23.365 1.00 0.00 C ATOM 310 CG TYR A 19 -0.549 10.605 -22.365 1.00 0.00 C ATOM 311 CD1 TYR A 19 0.752 11.056 -22.068 1.00 0.00 C ATOM 312 CD2 TYR A 19 -1.655 11.184 -21.709 1.00 0.00 C ATOM 313 CE1 TYR A 19 0.951 12.071 -21.113 1.00 0.00 C ATOM 314 CE2 TYR A 19 -1.464 12.198 -20.756 1.00 0.00 C ATOM 315 CZ TYR A 19 -0.158 12.646 -20.450 1.00 0.00 C ATOM 316 OH TYR A 19 0.016 13.629 -19.521 1.00 0.00 O ATOM 0 H TYR A 19 -0.659 7.408 -24.739 1.00 0.00 H new ATOM 0 HA TYR A 19 0.355 8.046 -22.216 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.039 9.597 -24.181 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.749 9.567 -23.798 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.601 10.621 -22.575 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.654 10.846 -21.941 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.951 12.411 -20.887 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.315 12.636 -20.256 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.856 13.906 -19.170 1.00 0.00 H new ATOM 326 N PHE A 20 -2.856 7.231 -22.246 1.00 0.00 N ATOM 327 CA PHE A 20 -3.984 6.933 -21.362 1.00 0.00 C ATOM 328 C PHE A 20 -3.551 6.153 -20.122 1.00 0.00 C ATOM 329 O PHE A 20 -4.037 6.432 -19.030 1.00 0.00 O ATOM 330 CB PHE A 20 -5.129 6.196 -22.077 1.00 0.00 C ATOM 331 CG PHE A 20 -5.013 4.678 -22.117 1.00 0.00 C ATOM 332 CD1 PHE A 20 -4.160 4.067 -23.049 1.00 0.00 C ATOM 333 CD2 PHE A 20 -5.718 3.872 -21.199 1.00 0.00 C ATOM 334 CE1 PHE A 20 -4.048 2.665 -23.099 1.00 0.00 C ATOM 335 CE2 PHE A 20 -5.618 2.470 -21.252 1.00 0.00 C ATOM 336 CZ PHE A 20 -4.789 1.864 -22.212 1.00 0.00 C ATOM 0 H PHE A 20 -2.997 6.961 -23.219 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.366 7.903 -21.045 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.067 6.458 -21.587 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.190 6.565 -23.101 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.586 4.676 -23.732 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.341 4.336 -20.448 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.391 2.203 -23.821 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.177 1.861 -20.557 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.721 0.788 -22.268 1.00 0.00 H new ATOM 346 N VAL A 21 -2.599 5.227 -20.264 1.00 0.00 N ATOM 347 CA VAL A 21 -2.114 4.429 -19.152 1.00 0.00 C ATOM 348 C VAL A 21 -1.538 5.363 -18.088 1.00 0.00 C ATOM 349 O VAL A 21 -1.898 5.275 -16.918 1.00 0.00 O ATOM 350 CB VAL A 21 -1.078 3.404 -19.656 1.00 0.00 C ATOM 351 CG1 VAL A 21 -0.738 2.423 -18.538 1.00 0.00 C ATOM 352 CG2 VAL A 21 -1.603 2.588 -20.845 1.00 0.00 C ATOM 0 H VAL A 21 -2.148 5.015 -21.154 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.929 3.864 -18.700 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.201 3.969 -19.972 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.006 1.700 -18.898 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.323 2.968 -17.690 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.642 1.899 -18.226 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.839 1.879 -21.166 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.499 2.045 -20.546 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.844 3.259 -21.669 1.00 0.00 H new ATOM 362 N GLN A 22 -0.692 6.313 -18.488 1.00 0.00 N ATOM 363 CA GLN A 22 -0.116 7.256 -17.549 1.00 0.00 C ATOM 364 C GLN A 22 -1.141 8.268 -17.036 1.00 0.00 C ATOM 365 O GLN A 22 -0.974 8.754 -15.919 1.00 0.00 O ATOM 366 CB GLN A 22 1.108 7.937 -18.173 1.00 0.00 C ATOM 367 CG GLN A 22 2.293 6.974 -18.375 1.00 0.00 C ATOM 368 CD GLN A 22 2.557 6.028 -17.196 1.00 0.00 C ATOM 369 OE1 GLN A 22 2.764 6.458 -16.070 1.00 0.00 O ATOM 370 NE2 GLN A 22 2.508 4.722 -17.414 1.00 0.00 N ATOM 0 H GLN A 22 -0.395 6.444 -19.455 1.00 0.00 H new ATOM 0 HA GLN A 22 0.213 6.700 -16.671 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.827 8.366 -19.135 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.422 8.763 -17.535 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.111 6.377 -19.269 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.193 7.560 -18.562 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.335 4.368 -18.355 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.643 4.070 -16.641 1.00 0.00 H new ATOM 379 N MET A 23 -2.213 8.564 -17.778 1.00 0.00 N ATOM 380 CA MET A 23 -3.232 9.483 -17.268 1.00 0.00 C ATOM 381 C MET A 23 -4.077 8.803 -16.181 1.00 0.00 C ATOM 382 O MET A 23 -4.351 9.413 -15.150 1.00 0.00 O ATOM 383 CB MET A 23 -4.031 10.166 -18.396 1.00 0.00 C ATOM 384 CG MET A 23 -5.367 9.545 -18.813 1.00 0.00 C ATOM 385 SD MET A 23 -6.225 10.552 -20.060 1.00 0.00 S ATOM 386 CE MET A 23 -6.967 9.266 -21.098 1.00 0.00 C ATOM 0 H MET A 23 -2.395 8.191 -18.710 1.00 0.00 H new ATOM 0 HA MET A 23 -2.736 10.318 -16.773 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.222 11.195 -18.093 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.393 10.207 -19.279 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.194 8.545 -19.211 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.004 9.433 -17.936 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.884 9.646 -21.548 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.267 8.984 -21.884 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.197 8.393 -20.487 1.00 0.00 H new ATOM 396 N GLU A 24 -4.421 7.522 -16.343 1.00 0.00 N ATOM 397 CA GLU A 24 -5.077 6.727 -15.310 1.00 0.00 C ATOM 398 C GLU A 24 -4.122 6.445 -14.139 1.00 0.00 C ATOM 399 O GLU A 24 -4.569 6.328 -12.997 1.00 0.00 O ATOM 400 CB GLU A 24 -5.618 5.409 -15.897 1.00 0.00 C ATOM 401 CG GLU A 24 -6.664 5.579 -17.016 1.00 0.00 C ATOM 402 CD GLU A 24 -7.820 6.516 -16.635 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.440 6.296 -15.574 1.00 0.00 O ATOM 404 OE2 GLU A 24 -8.122 7.462 -17.396 1.00 0.00 O ATOM 0 H GLU A 24 -4.248 7.006 -17.206 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.919 7.305 -14.928 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.780 4.831 -16.287 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.061 4.824 -15.091 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.171 5.966 -17.908 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.070 4.601 -17.275 1.00 0.00 H new ATOM 411 N ALA A 25 -2.809 6.359 -14.379 1.00 0.00 N ATOM 412 CA ALA A 25 -1.831 6.244 -13.303 1.00 0.00 C ATOM 413 C ALA A 25 -1.833 7.525 -12.466 1.00 0.00 C ATOM 414 O ALA A 25 -1.978 7.472 -11.243 1.00 0.00 O ATOM 415 CB ALA A 25 -0.442 5.966 -13.882 1.00 0.00 C ATOM 0 H ALA A 25 -2.403 6.367 -15.314 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.099 5.409 -12.656 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.280 5.882 -13.070 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.463 5.034 -14.447 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.153 6.784 -14.542 1.00 0.00 H new ATOM 421 N ASP A 26 -1.728 8.681 -13.127 1.00 0.00 N ATOM 422 CA ASP A 26 -1.726 9.991 -12.486 1.00 0.00 C ATOM 423 C ASP A 26 -3.027 10.244 -11.732 1.00 0.00 C ATOM 424 O ASP A 26 -2.992 10.734 -10.602 1.00 0.00 O ATOM 425 CB ASP A 26 -1.505 11.091 -13.529 1.00 0.00 C ATOM 426 CG ASP A 26 -1.626 12.487 -12.898 1.00 0.00 C ATOM 427 OD1 ASP A 26 -0.863 12.799 -11.957 1.00 0.00 O ATOM 428 OD2 ASP A 26 -2.494 13.273 -13.334 1.00 0.00 O ATOM 0 H ASP A 26 -1.641 8.729 -14.142 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.908 10.007 -11.765 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.519 10.977 -13.979 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.235 10.987 -14.331 1.00 0.00 H new ATOM 433 N LYS A 27 -4.178 9.852 -12.293 1.00 0.00 N ATOM 434 CA LYS A 27 -5.471 10.051 -11.634 1.00 0.00 C ATOM 435 C LYS A 27 -5.602 9.225 -10.348 1.00 0.00 C ATOM 436 O LYS A 27 -6.481 9.505 -9.531 1.00 0.00 O ATOM 437 CB LYS A 27 -6.637 9.915 -12.646 1.00 0.00 C ATOM 438 CG LYS A 27 -7.207 8.508 -12.904 1.00 0.00 C ATOM 439 CD LYS A 27 -8.401 8.161 -12.011 1.00 0.00 C ATOM 440 CE LYS A 27 -8.859 6.700 -12.127 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.806 6.479 -13.244 1.00 0.00 N ATOM 0 H LYS A 27 -4.238 9.395 -13.203 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.532 11.079 -11.277 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.454 10.549 -12.302 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.300 10.320 -13.600 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.510 8.433 -13.948 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.419 7.771 -12.747 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.139 8.368 -10.973 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.235 8.815 -12.266 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.987 6.061 -12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.331 6.397 -11.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.248 5.543 -13.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.542 7.213 -13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.294 6.525 -14.148 1.00 0.00 H new ATOM 455 N ARG A 28 -4.740 8.224 -10.121 1.00 0.00 N ATOM 456 CA ARG A 28 -4.635 7.463 -8.866 1.00 0.00 C ATOM 457 C ARG A 28 -3.296 7.720 -8.157 1.00 0.00 C ATOM 458 O ARG A 28 -2.952 6.981 -7.236 1.00 0.00 O ATOM 459 CB ARG A 28 -4.871 5.961 -9.142 1.00 0.00 C ATOM 460 CG ARG A 28 -6.266 5.552 -9.651 1.00 0.00 C ATOM 461 CD ARG A 28 -7.422 5.771 -8.658 1.00 0.00 C ATOM 462 NE ARG A 28 -7.778 7.191 -8.505 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.780 7.709 -7.786 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.625 6.927 -7.119 1.00 0.00 N ATOM 465 NH2 ARG A 28 -8.911 9.030 -7.757 1.00 0.00 N ATOM 0 H ARG A 28 -4.075 7.911 -10.828 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.411 7.808 -8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.134 5.632 -9.874 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.673 5.413 -8.221 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.480 6.112 -10.561 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.239 4.497 -9.924 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.297 5.216 -8.997 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.143 5.364 -7.686 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.192 7.858 -9.006 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.515 5.913 -7.150 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.383 7.341 -6.576 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.258 9.619 -8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.665 9.456 -7.218 1.00 0.00 H new ATOM 479 N LYS A 29 -2.558 8.771 -8.545 1.00 0.00 N ATOM 480 CA LYS A 29 -1.254 9.165 -7.991 1.00 0.00 C ATOM 481 C LYS A 29 -0.279 7.979 -7.891 1.00 0.00 C ATOM 482 O LYS A 29 0.539 7.914 -6.971 1.00 0.00 O ATOM 483 CB LYS A 29 -1.452 9.909 -6.650 1.00 0.00 C ATOM 484 CG LYS A 29 -2.289 11.204 -6.709 1.00 0.00 C ATOM 485 CD LYS A 29 -1.464 12.492 -6.897 1.00 0.00 C ATOM 486 CE LYS A 29 -0.786 12.656 -8.266 1.00 0.00 C ATOM 487 NZ LYS A 29 -1.754 12.904 -9.360 1.00 0.00 N ATOM 0 H LYS A 29 -2.868 9.398 -9.287 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.779 9.860 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.926 9.226 -5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.470 10.153 -6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.003 11.123 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.868 11.290 -5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.118 13.348 -6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.695 12.525 -6.125 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.078 13.483 -8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.212 11.758 -8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.239 13.141 -10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.327 12.050 -9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.376 13.696 -9.100 1.00 0.00 H new ATOM 501 N LEU A 30 -0.369 7.029 -8.824 1.00 0.00 N ATOM 502 CA LEU A 30 0.576 5.922 -8.935 1.00 0.00 C ATOM 503 C LEU A 30 1.910 6.452 -9.464 1.00 0.00 C ATOM 504 O LEU A 30 1.959 7.532 -10.063 1.00 0.00 O ATOM 505 CB LEU A 30 0.004 4.838 -9.867 1.00 0.00 C ATOM 506 CG LEU A 30 -1.238 4.111 -9.317 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.682 3.052 -10.325 1.00 0.00 C ATOM 508 CD2 LEU A 30 -0.972 3.433 -7.970 1.00 0.00 C ATOM 0 H LEU A 30 -1.107 7.008 -9.528 1.00 0.00 H new ATOM 0 HA LEU A 30 0.740 5.473 -7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.253 5.297 -10.822 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.782 4.101 -10.066 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.015 4.860 -9.162 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.561 2.532 -9.943 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.927 3.532 -11.273 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.875 2.335 -10.479 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.879 2.936 -7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.176 2.697 -8.084 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.671 4.183 -7.238 1.00 0.00 H new ATOM 520 N ALA A 31 2.984 5.678 -9.289 1.00 0.00 N ATOM 521 CA ALA A 31 4.321 6.023 -9.759 1.00 0.00 C ATOM 522 C ALA A 31 4.930 4.775 -10.394 1.00 0.00 C ATOM 523 O ALA A 31 5.021 3.737 -9.740 1.00 0.00 O ATOM 524 CB ALA A 31 5.165 6.531 -8.584 1.00 0.00 C ATOM 0 H ALA A 31 2.944 4.779 -8.808 1.00 0.00 H new ATOM 0 HA ALA A 31 4.285 6.820 -10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.163 6.788 -8.938 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.694 7.414 -8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.238 5.752 -7.825 1.00 0.00 H new ATOM 530 N GLY A 32 5.307 4.853 -11.672 1.00 0.00 N ATOM 531 CA GLY A 32 5.644 3.679 -12.466 1.00 0.00 C ATOM 532 C GLY A 32 5.909 4.036 -13.921 1.00 0.00 C ATOM 533 O GLY A 32 6.143 5.205 -14.232 1.00 0.00 O ATOM 0 H GLY A 32 5.386 5.733 -12.181 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.525 3.196 -12.044 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.829 2.958 -12.412 1.00 0.00 H new ATOM 537 N TRP A 33 5.868 3.049 -14.816 1.00 0.00 N ATOM 538 CA TRP A 33 6.052 3.257 -16.245 1.00 0.00 C ATOM 539 C TRP A 33 5.150 2.359 -17.100 1.00 0.00 C ATOM 540 O TRP A 33 4.638 1.337 -16.623 1.00 0.00 O ATOM 541 CB TRP A 33 7.533 3.062 -16.600 1.00 0.00 C ATOM 542 CG TRP A 33 8.139 1.732 -16.256 1.00 0.00 C ATOM 543 CD1 TRP A 33 8.048 0.602 -16.993 1.00 0.00 C ATOM 544 CD2 TRP A 33 8.954 1.375 -15.095 1.00 0.00 C ATOM 545 NE1 TRP A 33 8.772 -0.410 -16.398 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.372 0.017 -15.232 1.00 0.00 C ATOM 547 CE3 TRP A 33 9.393 2.066 -13.946 1.00 0.00 C ATOM 548 CZ2 TRP A 33 10.215 -0.608 -14.299 1.00 0.00 C ATOM 549 CZ3 TRP A 33 10.222 1.444 -12.992 1.00 0.00 C ATOM 550 CH2 TRP A 33 10.640 0.114 -13.171 1.00 0.00 C ATOM 0 H TRP A 33 5.704 2.075 -14.563 1.00 0.00 H new ATOM 0 HA TRP A 33 5.753 4.280 -16.475 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.650 3.222 -17.672 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.109 3.839 -16.097 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.490 0.506 -17.913 1.00 0.00 H new ATOM 0 HE1 TRP A 33 8.853 -1.355 -16.773 1.00 0.00 H new ATOM 0 HE3 TRP A 33 9.088 3.091 -13.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 10.532 -1.630 -14.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 10.539 1.993 -12.117 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.287 -0.352 -12.443 1.00 0.00 H new ATOM 561 N VAL A 34 5.013 2.722 -18.383 1.00 0.00 N ATOM 562 CA VAL A 34 4.455 1.874 -19.446 1.00 0.00 C ATOM 563 C VAL A 34 5.499 1.691 -20.557 1.00 0.00 C ATOM 564 O VAL A 34 6.295 2.597 -20.819 1.00 0.00 O ATOM 565 CB VAL A 34 3.098 2.425 -19.937 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.206 3.794 -20.618 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.384 1.458 -20.889 1.00 0.00 C ATOM 0 H VAL A 34 5.296 3.642 -18.720 1.00 0.00 H new ATOM 0 HA VAL A 34 4.234 0.880 -19.058 1.00 0.00 H new ATOM 0 HB VAL A 34 2.509 2.540 -19.027 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.216 4.120 -20.938 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.618 4.518 -19.915 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.861 3.718 -21.486 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.436 1.892 -21.205 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.010 1.279 -21.763 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.198 0.514 -20.377 1.00 0.00 H new ATOM 577 N LYS A 35 5.506 0.512 -21.188 1.00 0.00 N ATOM 578 CA LYS A 35 6.512 0.067 -22.150 1.00 0.00 C ATOM 579 C LYS A 35 5.838 -0.873 -23.153 1.00 0.00 C ATOM 580 O LYS A 35 4.942 -1.630 -22.782 1.00 0.00 O ATOM 581 CB LYS A 35 7.583 -0.689 -21.350 1.00 0.00 C ATOM 582 CG LYS A 35 8.848 -1.097 -22.126 1.00 0.00 C ATOM 583 CD LYS A 35 9.593 -2.267 -21.458 1.00 0.00 C ATOM 584 CE LYS A 35 8.771 -3.571 -21.507 1.00 0.00 C ATOM 585 NZ LYS A 35 9.410 -4.697 -20.784 1.00 0.00 N ATOM 0 H LYS A 35 4.778 -0.186 -21.034 1.00 0.00 H new ATOM 0 HA LYS A 35 6.960 0.899 -22.694 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.884 -0.067 -20.507 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.130 -1.590 -20.936 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.573 -1.378 -23.143 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.517 -0.240 -22.202 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.550 -2.421 -21.957 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.812 -2.014 -20.421 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.785 -3.387 -21.079 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.619 -3.857 -22.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.676 -5.295 -20.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.972 -5.263 -21.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.031 -4.323 -20.038 1.00 0.00 H new ATOM 599 N ASN A 36 6.269 -0.862 -24.409 1.00 0.00 N ATOM 600 CA ASN A 36 5.895 -1.872 -25.408 1.00 0.00 C ATOM 601 C ASN A 36 6.619 -3.191 -25.099 1.00 0.00 C ATOM 602 O ASN A 36 7.721 -3.147 -24.552 1.00 0.00 O ATOM 603 CB ASN A 36 6.321 -1.369 -26.793 1.00 0.00 C ATOM 604 CG ASN A 36 5.841 -2.281 -27.911 1.00 0.00 C ATOM 605 OD1 ASN A 36 6.547 -3.188 -28.340 1.00 0.00 O ATOM 606 ND2 ASN A 36 4.634 -2.053 -28.401 1.00 0.00 N ATOM 0 H ASN A 36 6.896 -0.145 -24.773 1.00 0.00 H new ATOM 0 HA ASN A 36 4.818 -2.040 -25.385 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.925 -0.366 -26.950 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.408 -1.292 -26.831 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.270 -2.638 -29.153 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.067 -1.292 -28.027 1.00 0.00 H new ATOM 613 N ARG A 37 6.094 -4.359 -25.494 1.00 0.00 N ATOM 614 CA ARG A 37 6.897 -5.586 -25.508 1.00 0.00 C ATOM 615 C ARG A 37 6.686 -6.359 -26.809 1.00 0.00 C ATOM 616 O ARG A 37 5.658 -6.219 -27.472 1.00 0.00 O ATOM 617 CB ARG A 37 6.688 -6.420 -24.229 1.00 0.00 C ATOM 618 CG ARG A 37 5.275 -6.981 -24.034 1.00 0.00 C ATOM 619 CD ARG A 37 5.197 -7.890 -22.798 1.00 0.00 C ATOM 620 NE ARG A 37 5.967 -9.138 -22.966 1.00 0.00 N ATOM 621 CZ ARG A 37 7.083 -9.502 -22.316 1.00 0.00 C ATOM 622 NH1 ARG A 37 7.657 -8.720 -21.403 1.00 0.00 N ATOM 623 NH2 ARG A 37 7.635 -10.678 -22.595 1.00 0.00 N ATOM 0 H ARG A 37 5.130 -4.478 -25.804 1.00 0.00 H new ATOM 0 HA ARG A 37 7.953 -5.316 -25.493 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.393 -7.252 -24.239 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.937 -5.801 -23.367 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.567 -6.159 -23.928 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.980 -7.543 -24.920 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.572 -7.349 -21.929 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.154 -8.134 -22.596 1.00 0.00 H new ATOM 0 HE ARG A 37 5.610 -9.800 -23.655 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.248 -7.813 -21.179 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.505 -9.029 -20.928 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.210 -11.288 -23.294 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.483 -10.971 -22.111 1.00 0.00 H new ATOM 637 N ASP A 38 7.692 -7.157 -27.176 1.00 0.00 N ATOM 638 CA ASP A 38 7.961 -7.570 -28.557 1.00 0.00 C ATOM 639 C ASP A 38 6.819 -8.342 -29.220 1.00 0.00 C ATOM 640 O ASP A 38 6.633 -8.240 -30.433 1.00 0.00 O ATOM 641 CB ASP A 38 9.239 -8.418 -28.588 1.00 0.00 C ATOM 642 CG ASP A 38 9.579 -8.884 -30.014 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.027 -8.053 -30.836 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.444 -10.093 -30.309 1.00 0.00 O ATOM 0 H ASP A 38 8.358 -7.543 -26.506 1.00 0.00 H new ATOM 0 HA ASP A 38 8.076 -6.653 -29.134 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.070 -7.838 -28.187 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.115 -9.287 -27.941 1.00 0.00 H new ATOM 649 N ASP A 39 6.037 -9.093 -28.439 1.00 0.00 N ATOM 650 CA ASP A 39 4.901 -9.869 -28.950 1.00 0.00 C ATOM 651 C ASP A 39 3.820 -8.978 -29.582 1.00 0.00 C ATOM 652 O ASP A 39 3.095 -9.422 -30.474 1.00 0.00 O ATOM 653 CB ASP A 39 4.284 -10.691 -27.812 1.00 0.00 C ATOM 654 CG ASP A 39 3.072 -11.500 -28.300 1.00 0.00 C ATOM 655 OD1 ASP A 39 3.265 -12.557 -28.944 1.00 0.00 O ATOM 656 OD2 ASP A 39 1.926 -11.096 -28.006 1.00 0.00 O ATOM 0 H ASP A 39 6.173 -9.181 -27.432 1.00 0.00 H new ATOM 0 HA ASP A 39 5.282 -10.527 -29.731 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.034 -11.367 -27.401 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.978 -10.026 -27.004 1.00 0.00 H new ATOM 661 N GLY A 40 3.717 -7.724 -29.130 1.00 0.00 N ATOM 662 CA GLY A 40 2.662 -6.780 -29.489 1.00 0.00 C ATOM 663 C GLY A 40 1.878 -6.338 -28.250 1.00 0.00 C ATOM 664 O GLY A 40 1.199 -5.310 -28.283 1.00 0.00 O ATOM 0 H GLY A 40 4.394 -7.327 -28.479 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.099 -5.909 -29.977 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.984 -7.242 -30.207 1.00 0.00 H new ATOM 668 N ARG A 41 1.985 -7.097 -27.149 1.00 0.00 N ATOM 669 CA ARG A 41 1.516 -6.680 -25.832 1.00 0.00 C ATOM 670 C ARG A 41 2.219 -5.392 -25.398 1.00 0.00 C ATOM 671 O ARG A 41 3.251 -4.978 -25.932 1.00 0.00 O ATOM 672 CB ARG A 41 1.756 -7.801 -24.787 1.00 0.00 C ATOM 673 CG ARG A 41 0.560 -8.726 -24.521 1.00 0.00 C ATOM 674 CD ARG A 41 0.294 -9.695 -25.672 1.00 0.00 C ATOM 675 NE ARG A 41 -0.902 -10.515 -25.424 1.00 0.00 N ATOM 676 CZ ARG A 41 -1.290 -11.558 -26.165 1.00 0.00 C ATOM 677 NH1 ARG A 41 -0.582 -11.960 -27.217 1.00 0.00 N ATOM 678 NH2 ARG A 41 -2.404 -12.190 -25.825 1.00 0.00 N ATOM 0 H ARG A 41 2.405 -8.026 -27.155 1.00 0.00 H new ATOM 0 HA ARG A 41 0.445 -6.489 -25.894 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.596 -8.410 -25.120 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.051 -7.338 -23.845 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.742 -9.294 -23.609 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.330 -8.121 -24.348 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.166 -9.135 -26.598 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.159 -10.344 -25.809 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.482 -10.268 -24.622 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.275 -11.470 -27.472 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.897 -12.758 -27.768 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.941 -11.877 -25.016 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.724 -12.989 -26.372 1.00 0.00 H new ATOM 692 N VAL A 42 1.683 -4.816 -24.337 1.00 0.00 N ATOM 693 CA VAL A 42 2.187 -3.648 -23.644 1.00 0.00 C ATOM 694 C VAL A 42 2.301 -4.076 -22.192 1.00 0.00 C ATOM 695 O VAL A 42 1.543 -4.934 -21.735 1.00 0.00 O ATOM 696 CB VAL A 42 1.189 -2.500 -23.846 1.00 0.00 C ATOM 697 CG1 VAL A 42 1.602 -1.190 -23.162 1.00 0.00 C ATOM 698 CG2 VAL A 42 0.992 -2.239 -25.339 1.00 0.00 C ATOM 0 H VAL A 42 0.829 -5.176 -23.911 1.00 0.00 H new ATOM 0 HA VAL A 42 3.152 -3.293 -24.006 1.00 0.00 H new ATOM 0 HB VAL A 42 0.260 -2.825 -23.377 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.847 -0.427 -23.351 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.693 -1.353 -22.088 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.561 -0.858 -23.561 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.282 -1.423 -25.475 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.947 -1.969 -25.790 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.606 -3.139 -25.818 1.00 0.00 H new ATOM 708 N GLU A 43 3.245 -3.495 -21.470 1.00 0.00 N ATOM 709 CA GLU A 43 3.617 -3.898 -20.135 1.00 0.00 C ATOM 710 C GLU A 43 3.649 -2.635 -19.282 1.00 0.00 C ATOM 711 O GLU A 43 4.073 -1.571 -19.746 1.00 0.00 O ATOM 712 CB GLU A 43 4.970 -4.613 -20.227 1.00 0.00 C ATOM 713 CG GLU A 43 5.354 -5.330 -18.929 1.00 0.00 C ATOM 714 CD GLU A 43 6.662 -6.128 -19.051 1.00 0.00 C ATOM 715 OE1 GLU A 43 7.209 -6.289 -20.169 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.151 -6.604 -18.004 1.00 0.00 O ATOM 0 H GLU A 43 3.788 -2.703 -21.814 1.00 0.00 H new ATOM 0 HA GLU A 43 2.916 -4.594 -19.673 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.938 -5.338 -21.041 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.743 -3.886 -20.477 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.456 -4.595 -18.130 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.548 -6.005 -18.640 1.00 0.00 H new ATOM 723 N ILE A 44 3.166 -2.740 -18.048 1.00 0.00 N ATOM 724 CA ILE A 44 2.940 -1.619 -17.157 1.00 0.00 C ATOM 725 C ILE A 44 3.451 -2.069 -15.793 1.00 0.00 C ATOM 726 O ILE A 44 3.236 -3.222 -15.406 1.00 0.00 O ATOM 727 CB ILE A 44 1.432 -1.267 -17.074 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.593 -1.559 -18.348 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.305 0.204 -16.644 1.00 0.00 C ATOM 730 CD1 ILE A 44 -0.917 -1.366 -18.154 1.00 0.00 C ATOM 0 H ILE A 44 2.915 -3.637 -17.633 1.00 0.00 H new ATOM 0 HA ILE A 44 3.452 -0.724 -17.512 1.00 0.00 H new ATOM 0 HB ILE A 44 0.997 -1.940 -16.335 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.933 -0.907 -19.153 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.781 -2.584 -18.668 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.251 0.474 -16.579 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.775 0.340 -15.670 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.798 0.841 -17.378 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.435 -1.589 -19.087 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.272 -2.038 -17.372 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.118 -0.334 -17.865 1.00 0.00 H new ATOM 742 N LEU A 45 4.101 -1.179 -15.046 1.00 0.00 N ATOM 743 CA LEU A 45 4.646 -1.514 -13.733 1.00 0.00 C ATOM 744 C LEU A 45 4.615 -0.247 -12.897 1.00 0.00 C ATOM 745 O LEU A 45 5.131 0.769 -13.354 1.00 0.00 O ATOM 746 CB LEU A 45 6.066 -2.070 -13.937 1.00 0.00 C ATOM 747 CG LEU A 45 6.823 -2.458 -12.653 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.956 -3.420 -13.028 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.425 -1.243 -11.928 1.00 0.00 C ATOM 0 H LEU A 45 4.264 -0.213 -15.331 1.00 0.00 H new ATOM 0 HA LEU A 45 4.070 -2.278 -13.210 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.003 -2.948 -14.579 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.654 -1.325 -14.472 1.00 0.00 H new ATOM 0 HG LEU A 45 6.108 -2.922 -11.974 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.503 -3.705 -12.130 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.537 -4.311 -13.496 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.635 -2.929 -13.725 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.946 -1.576 -11.031 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.128 -0.736 -12.589 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.628 -0.554 -11.649 1.00 0.00 H new ATOM 761 N ALA A 46 4.021 -0.286 -11.702 1.00 0.00 N ATOM 762 CA ALA A 46 3.945 0.869 -10.816 1.00 0.00 C ATOM 763 C ALA A 46 3.868 0.412 -9.367 1.00 0.00 C ATOM 764 O ALA A 46 3.294 -0.639 -9.080 1.00 0.00 O ATOM 765 CB ALA A 46 2.699 1.705 -11.140 1.00 0.00 C ATOM 0 H ALA A 46 3.579 -1.124 -11.324 1.00 0.00 H new ATOM 0 HA ALA A 46 4.839 1.474 -10.963 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.654 2.565 -10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.751 2.051 -12.172 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.806 1.094 -11.007 1.00 0.00 H new ATOM 771 N GLU A 47 4.404 1.227 -8.460 1.00 0.00 N ATOM 772 CA GLU A 47 4.158 1.092 -7.032 1.00 0.00 C ATOM 773 C GLU A 47 2.934 1.952 -6.659 1.00 0.00 C ATOM 774 O GLU A 47 2.651 2.956 -7.323 1.00 0.00 O ATOM 775 CB GLU A 47 5.406 1.446 -6.212 1.00 0.00 C ATOM 776 CG GLU A 47 5.913 2.889 -6.342 1.00 0.00 C ATOM 777 CD GLU A 47 7.106 3.122 -5.404 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.171 2.509 -5.641 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.978 3.901 -4.433 1.00 0.00 O ATOM 0 H GLU A 47 5.023 2.001 -8.700 1.00 0.00 H new ATOM 0 HA GLU A 47 3.936 0.053 -6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.193 1.251 -5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.211 0.772 -6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.208 3.086 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.111 3.586 -6.101 1.00 0.00 H new ATOM 786 N GLY A 48 2.220 1.589 -5.589 1.00 0.00 N ATOM 787 CA GLY A 48 1.122 2.380 -5.043 1.00 0.00 C ATOM 788 C GLY A 48 0.371 1.627 -3.944 1.00 0.00 C ATOM 789 O GLY A 48 0.677 0.463 -3.679 1.00 0.00 O ATOM 0 H GLY A 48 2.394 0.726 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.512 3.315 -4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.429 2.641 -5.843 1.00 0.00 H new ATOM 793 N PRO A 49 -0.600 2.261 -3.266 1.00 0.00 N ATOM 794 CA PRO A 49 -1.465 1.564 -2.328 1.00 0.00 C ATOM 795 C PRO A 49 -2.418 0.628 -3.083 1.00 0.00 C ATOM 796 O PRO A 49 -2.778 0.888 -4.233 1.00 0.00 O ATOM 797 CB PRO A 49 -2.184 2.660 -1.539 1.00 0.00 C ATOM 798 CG PRO A 49 -2.197 3.854 -2.492 1.00 0.00 C ATOM 799 CD PRO A 49 -0.940 3.673 -3.347 1.00 0.00 C ATOM 0 HA PRO A 49 -0.917 0.918 -1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.195 2.357 -1.265 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.659 2.894 -0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.097 3.862 -3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.174 4.798 -1.947 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.124 3.971 -4.379 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.124 4.293 -2.977 1.00 0.00 H new ATOM 807 N GLU A 50 -2.851 -0.451 -2.425 1.00 0.00 N ATOM 808 CA GLU A 50 -3.638 -1.520 -3.042 1.00 0.00 C ATOM 809 C GLU A 50 -4.899 -0.971 -3.715 1.00 0.00 C ATOM 810 O GLU A 50 -5.200 -1.342 -4.849 1.00 0.00 O ATOM 811 CB GLU A 50 -3.980 -2.567 -1.968 1.00 0.00 C ATOM 812 CG GLU A 50 -4.725 -3.786 -2.533 1.00 0.00 C ATOM 813 CD GLU A 50 -5.027 -4.818 -1.429 1.00 0.00 C ATOM 814 OE1 GLU A 50 -6.097 -4.728 -0.785 1.00 0.00 O ATOM 815 OE2 GLU A 50 -4.208 -5.737 -1.202 1.00 0.00 O ATOM 0 H GLU A 50 -2.662 -0.608 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.050 -1.992 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.060 -2.901 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.591 -2.101 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.657 -3.463 -2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.125 -4.252 -3.315 1.00 0.00 H new ATOM 822 N ASN A 51 -5.613 -0.055 -3.051 1.00 0.00 N ATOM 823 CA ASN A 51 -6.846 0.516 -3.592 1.00 0.00 C ATOM 824 C ASN A 51 -6.584 1.303 -4.876 1.00 0.00 C ATOM 825 O ASN A 51 -7.361 1.199 -5.825 1.00 0.00 O ATOM 826 CB ASN A 51 -7.524 1.423 -2.557 1.00 0.00 C ATOM 827 CG ASN A 51 -8.802 2.029 -3.135 1.00 0.00 C ATOM 828 OD1 ASN A 51 -9.784 1.329 -3.361 1.00 0.00 O ATOM 829 ND2 ASN A 51 -8.823 3.327 -3.393 1.00 0.00 N ATOM 0 H ASN A 51 -5.354 0.307 -2.133 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.511 -0.315 -3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.759 0.850 -1.660 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.841 2.217 -2.257 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -9.662 3.756 -3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.000 3.899 -3.201 1.00 0.00 H new ATOM 836 N ALA A 52 -5.493 2.074 -4.926 1.00 0.00 N ATOM 837 CA ALA A 52 -5.119 2.845 -6.106 1.00 0.00 C ATOM 838 C ALA A 52 -4.774 1.906 -7.259 1.00 0.00 C ATOM 839 O ALA A 52 -5.257 2.098 -8.375 1.00 0.00 O ATOM 840 CB ALA A 52 -3.924 3.744 -5.768 1.00 0.00 C ATOM 0 H ALA A 52 -4.846 2.178 -4.145 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.958 3.469 -6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.643 4.321 -6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.197 4.423 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.082 3.127 -5.454 1.00 0.00 H new ATOM 846 N LEU A 53 -3.971 0.876 -6.980 1.00 0.00 N ATOM 847 CA LEU A 53 -3.535 -0.099 -7.973 1.00 0.00 C ATOM 848 C LEU A 53 -4.739 -0.845 -8.544 1.00 0.00 C ATOM 849 O LEU A 53 -4.854 -0.994 -9.756 1.00 0.00 O ATOM 850 CB LEU A 53 -2.535 -1.082 -7.342 1.00 0.00 C ATOM 851 CG LEU A 53 -1.192 -0.455 -6.916 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.472 -1.441 -6.004 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.254 -0.111 -8.075 1.00 0.00 C ATOM 0 H LEU A 53 -3.603 0.697 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.037 0.424 -8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.999 -1.540 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.336 -1.883 -8.054 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.436 0.486 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.482 -1.017 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.087 -1.640 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.296 -2.372 -6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.665 0.325 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.017 -1.017 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.741 0.605 -8.737 1.00 0.00 H new ATOM 865 N GLN A 54 -5.661 -1.285 -7.691 1.00 0.00 N ATOM 866 CA GLN A 54 -6.846 -2.011 -8.123 1.00 0.00 C ATOM 867 C GLN A 54 -7.818 -1.108 -8.883 1.00 0.00 C ATOM 868 O GLN A 54 -8.348 -1.526 -9.910 1.00 0.00 O ATOM 869 CB GLN A 54 -7.518 -2.706 -6.928 1.00 0.00 C ATOM 870 CG GLN A 54 -6.744 -3.967 -6.495 1.00 0.00 C ATOM 871 CD GLN A 54 -6.761 -5.061 -7.571 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.809 -5.421 -8.101 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.614 -5.604 -7.944 1.00 0.00 N ATOM 0 H GLN A 54 -5.605 -1.147 -6.682 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.532 -2.785 -8.824 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.580 -2.011 -6.090 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.540 -2.979 -7.193 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.712 -3.698 -6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.178 -4.359 -5.575 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.742 -5.307 -7.505 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.601 -6.320 -8.670 1.00 0.00 H new ATOM 882 N SER A 55 -8.012 0.137 -8.446 1.00 0.00 N ATOM 883 CA SER A 55 -8.859 1.090 -9.164 1.00 0.00 C ATOM 884 C SER A 55 -8.297 1.346 -10.566 1.00 0.00 C ATOM 885 O SER A 55 -9.045 1.362 -11.546 1.00 0.00 O ATOM 886 CB SER A 55 -8.974 2.403 -8.380 1.00 0.00 C ATOM 887 OG SER A 55 -9.500 2.191 -7.084 1.00 0.00 O ATOM 0 H SER A 55 -7.592 0.510 -7.595 1.00 0.00 H new ATOM 0 HA SER A 55 -9.857 0.664 -9.263 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.992 2.869 -8.303 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.614 3.098 -8.924 1.00 0.00 H new ATOM 0 HG SER A 55 -8.846 1.702 -6.542 1.00 0.00 H new ATOM 893 N PHE A 56 -6.972 1.491 -10.676 1.00 0.00 N ATOM 894 CA PHE A 56 -6.283 1.576 -11.949 1.00 0.00 C ATOM 895 C PHE A 56 -6.560 0.324 -12.786 1.00 0.00 C ATOM 896 O PHE A 56 -6.961 0.464 -13.936 1.00 0.00 O ATOM 897 CB PHE A 56 -4.786 1.799 -11.701 1.00 0.00 C ATOM 898 CG PHE A 56 -3.934 1.681 -12.943 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.517 0.414 -13.399 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.563 2.836 -13.651 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.751 0.304 -14.569 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.788 2.722 -14.813 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.389 1.460 -15.275 1.00 0.00 C ATOM 0 H PHE A 56 -6.350 1.552 -9.870 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.655 2.425 -12.522 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.643 2.789 -11.267 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.438 1.075 -10.964 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.788 -0.474 -12.847 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.874 3.809 -13.301 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.441 -0.668 -14.925 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.497 3.610 -15.355 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.801 1.378 -16.177 1.00 0.00 H new ATOM 913 N VAL A 57 -6.399 -0.885 -12.236 1.00 0.00 N ATOM 914 CA VAL A 57 -6.640 -2.122 -12.981 1.00 0.00 C ATOM 915 C VAL A 57 -8.070 -2.132 -13.531 1.00 0.00 C ATOM 916 O VAL A 57 -8.253 -2.464 -14.703 1.00 0.00 O ATOM 917 CB VAL A 57 -6.337 -3.350 -12.085 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.886 -4.673 -12.645 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.828 -3.534 -11.879 1.00 0.00 C ATOM 0 H VAL A 57 -6.101 -1.031 -11.272 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.966 -2.176 -13.836 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.840 -3.131 -11.143 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.636 -5.487 -11.965 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.969 -4.604 -12.746 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.443 -4.867 -13.622 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.651 -4.404 -11.246 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.344 -3.683 -12.844 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.415 -2.646 -11.400 1.00 0.00 H new ATOM 929 N GLU A 58 -9.073 -1.734 -12.742 1.00 0.00 N ATOM 930 CA GLU A 58 -10.452 -1.660 -13.215 1.00 0.00 C ATOM 931 C GLU A 58 -10.577 -0.658 -14.364 1.00 0.00 C ATOM 932 O GLU A 58 -11.246 -0.945 -15.355 1.00 0.00 O ATOM 933 CB GLU A 58 -11.414 -1.293 -12.074 1.00 0.00 C ATOM 934 CG GLU A 58 -11.537 -2.417 -11.040 1.00 0.00 C ATOM 935 CD GLU A 58 -12.603 -2.095 -9.978 1.00 0.00 C ATOM 936 OE1 GLU A 58 -12.293 -1.414 -8.974 1.00 0.00 O ATOM 937 OE2 GLU A 58 -13.765 -2.537 -10.127 1.00 0.00 O ATOM 0 H GLU A 58 -8.951 -1.457 -11.768 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.730 -2.647 -13.584 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.063 -0.386 -11.582 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.398 -1.072 -12.487 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.794 -3.349 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.574 -2.572 -10.554 1.00 0.00 H new ATOM 944 N ALA A 59 -9.906 0.490 -14.259 1.00 0.00 N ATOM 945 CA ALA A 59 -9.910 1.514 -15.298 1.00 0.00 C ATOM 946 C ALA A 59 -9.314 0.984 -16.611 1.00 0.00 C ATOM 947 O ALA A 59 -9.898 1.202 -17.675 1.00 0.00 O ATOM 948 CB ALA A 59 -9.170 2.765 -14.808 1.00 0.00 C ATOM 0 H ALA A 59 -9.342 0.734 -13.445 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.944 1.788 -15.508 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.179 3.523 -15.591 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.665 3.156 -13.919 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.139 2.506 -14.565 1.00 0.00 H new ATOM 954 N VAL A 60 -8.186 0.260 -16.551 1.00 0.00 N ATOM 955 CA VAL A 60 -7.589 -0.367 -17.732 1.00 0.00 C ATOM 956 C VAL A 60 -8.571 -1.410 -18.283 1.00 0.00 C ATOM 957 O VAL A 60 -8.933 -1.354 -19.459 1.00 0.00 O ATOM 958 CB VAL A 60 -6.211 -0.999 -17.410 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.550 -1.558 -18.678 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.209 -0.011 -16.799 1.00 0.00 C ATOM 0 H VAL A 60 -7.668 0.096 -15.688 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.406 0.395 -18.490 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.433 -1.783 -16.686 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.585 -1.995 -18.423 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.191 -2.324 -19.115 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.404 -0.752 -19.398 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.268 -0.524 -16.600 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.035 0.809 -17.496 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.611 0.385 -15.866 1.00 0.00 H new ATOM 970 N LYS A 61 -9.036 -2.337 -17.437 1.00 0.00 N ATOM 971 CA LYS A 61 -9.878 -3.464 -17.838 1.00 0.00 C ATOM 972 C LYS A 61 -11.167 -2.982 -18.503 1.00 0.00 C ATOM 973 O LYS A 61 -11.588 -3.559 -19.505 1.00 0.00 O ATOM 974 CB LYS A 61 -10.158 -4.336 -16.601 1.00 0.00 C ATOM 975 CG LYS A 61 -10.907 -5.635 -16.947 1.00 0.00 C ATOM 976 CD LYS A 61 -11.154 -6.530 -15.722 1.00 0.00 C ATOM 977 CE LYS A 61 -9.852 -7.092 -15.127 1.00 0.00 C ATOM 978 NZ LYS A 61 -10.111 -8.016 -13.992 1.00 0.00 N ATOM 0 H LYS A 61 -8.833 -2.322 -16.438 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.357 -4.066 -18.583 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.214 -4.584 -16.115 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.745 -3.763 -15.883 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.863 -5.385 -17.406 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.334 -6.192 -17.688 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.680 -5.957 -14.958 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.806 -7.356 -16.006 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.296 -7.618 -15.903 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.224 -6.269 -14.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.207 -8.372 -13.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.619 -7.508 -13.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.689 -8.816 -14.320 1.00 0.00 H new ATOM 992 N ASN A 62 -11.782 -1.923 -17.971 1.00 0.00 N ATOM 993 CA ASN A 62 -13.001 -1.351 -18.530 1.00 0.00 C ATOM 994 C ASN A 62 -12.743 -0.654 -19.869 1.00 0.00 C ATOM 995 O ASN A 62 -13.672 -0.519 -20.665 1.00 0.00 O ATOM 996 CB ASN A 62 -13.627 -0.354 -17.544 1.00 0.00 C ATOM 997 CG ASN A 62 -14.985 0.131 -18.048 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.917 -0.654 -18.200 1.00 0.00 O ATOM 999 ND2 ASN A 62 -15.138 1.417 -18.309 1.00 0.00 N ATOM 0 H ASN A 62 -11.445 -1.440 -17.138 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.692 -2.175 -18.705 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.744 -0.826 -16.568 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.960 0.497 -17.408 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.037 1.767 -18.640 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.357 2.060 -18.179 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.504 -0.217 -20.133 1.00 0.00 N ATOM 1007 CA GLY A 63 -11.167 0.566 -21.313 1.00 0.00 C ATOM 1008 C GLY A 63 -12.023 1.829 -21.398 1.00 0.00 C ATOM 1009 O GLY A 63 -12.622 2.091 -22.442 1.00 0.00 O ATOM 0 H GLY A 63 -10.707 -0.402 -19.524 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.112 0.839 -21.283 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.314 -0.038 -22.208 1.00 0.00 H new ATOM 1013 N SER A 64 -12.161 2.559 -20.284 1.00 0.00 N ATOM 1014 CA SER A 64 -12.973 3.771 -20.220 1.00 0.00 C ATOM 1015 C SER A 64 -12.520 4.852 -21.229 1.00 0.00 C ATOM 1016 O SER A 64 -13.397 5.466 -21.847 1.00 0.00 O ATOM 1017 CB SER A 64 -13.013 4.313 -18.781 1.00 0.00 C ATOM 1018 OG SER A 64 -12.995 3.256 -17.829 1.00 0.00 O ATOM 0 H SER A 64 -11.709 2.321 -19.401 1.00 0.00 H new ATOM 0 HA SER A 64 -13.986 3.498 -20.515 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.160 4.970 -18.614 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.911 4.915 -18.642 1.00 0.00 H new ATOM 0 HG SER A 64 -13.020 3.631 -16.924 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.207 5.113 -21.427 1.00 0.00 N ATOM 1025 CA PRO A 65 -10.704 6.017 -22.466 1.00 0.00 C ATOM 1026 C PRO A 65 -10.971 5.534 -23.904 1.00 0.00 C ATOM 1027 O PRO A 65 -11.661 4.544 -24.150 1.00 0.00 O ATOM 1028 CB PRO A 65 -9.197 6.164 -22.197 1.00 0.00 C ATOM 1029 CG PRO A 65 -9.087 5.852 -20.711 1.00 0.00 C ATOM 1030 CD PRO A 65 -10.091 4.716 -20.576 1.00 0.00 C ATOM 0 HA PRO A 65 -11.233 6.969 -22.409 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.609 5.472 -22.800 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.841 7.168 -22.427 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.080 5.548 -20.427 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.348 6.709 -20.090 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.663 3.767 -20.900 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.407 4.587 -19.541 1.00 0.00 H new ATOM 1038 N PHE A 66 -10.390 6.246 -24.874 1.00 0.00 N ATOM 1039 CA PHE A 66 -10.359 5.855 -26.283 1.00 0.00 C ATOM 1040 C PHE A 66 -9.662 4.496 -26.484 1.00 0.00 C ATOM 1041 O PHE A 66 -10.127 3.689 -27.291 1.00 0.00 O ATOM 1042 CB PHE A 66 -9.693 6.978 -27.107 1.00 0.00 C ATOM 1043 CG PHE A 66 -8.572 7.726 -26.396 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -7.295 7.149 -26.269 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -8.833 8.971 -25.787 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -6.301 7.794 -25.516 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -7.830 9.623 -25.048 1.00 0.00 C ATOM 1048 CZ PHE A 66 -6.562 9.032 -24.907 1.00 0.00 C ATOM 0 H PHE A 66 -9.917 7.132 -24.695 1.00 0.00 H new ATOM 0 HA PHE A 66 -11.381 5.722 -26.637 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.295 6.546 -28.025 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.459 7.696 -27.399 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.079 6.208 -26.752 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -9.807 9.426 -25.889 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.330 7.335 -25.404 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.034 10.579 -24.588 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.793 9.528 -24.333 1.00 0.00 H new ATOM 1058 N SER A 67 -8.573 4.224 -25.758 1.00 0.00 N ATOM 1059 CA SER A 67 -7.911 2.922 -25.751 1.00 0.00 C ATOM 1060 C SER A 67 -8.750 1.902 -24.977 1.00 0.00 C ATOM 1061 O SER A 67 -9.459 2.268 -24.036 1.00 0.00 O ATOM 1062 CB SER A 67 -6.542 3.070 -25.093 1.00 0.00 C ATOM 1063 OG SER A 67 -5.740 3.952 -25.852 1.00 0.00 O ATOM 0 H SER A 67 -8.124 4.911 -25.153 1.00 0.00 H new ATOM 0 HA SER A 67 -7.796 2.568 -26.776 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.655 3.449 -24.077 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.057 2.097 -25.017 1.00 0.00 H new ATOM 0 HG SER A 67 -4.796 3.715 -25.738 1.00 0.00 H new ATOM 1069 N LYS A 68 -8.640 0.615 -25.329 1.00 0.00 N ATOM 1070 CA LYS A 68 -9.325 -0.459 -24.613 1.00 0.00 C ATOM 1071 C LYS A 68 -8.558 -1.758 -24.783 1.00 0.00 C ATOM 1072 O LYS A 68 -7.990 -2.008 -25.849 1.00 0.00 O ATOM 1073 CB LYS A 68 -10.807 -0.594 -25.035 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.127 -1.340 -26.341 1.00 0.00 C ATOM 1075 CD LYS A 68 -10.553 -0.694 -27.612 1.00 0.00 C ATOM 1076 CE LYS A 68 -11.028 -1.394 -28.896 1.00 0.00 C ATOM 1077 NZ LYS A 68 -12.471 -1.179 -29.179 1.00 0.00 N ATOM 0 H LYS A 68 -8.075 0.294 -26.115 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.344 -0.207 -23.553 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.339 -1.096 -24.226 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.223 0.410 -25.115 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.745 -2.358 -26.264 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.210 -1.413 -26.445 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.845 0.356 -27.645 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.464 -0.721 -27.569 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.441 -1.030 -29.739 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.836 -2.464 -28.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.715 -1.618 -30.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.041 -1.610 -28.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.668 -0.159 -29.222 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.566 -2.590 -23.747 1.00 0.00 N ATOM 1092 CA VAL A 69 -7.951 -3.904 -23.805 1.00 0.00 C ATOM 1093 C VAL A 69 -8.932 -4.897 -24.433 1.00 0.00 C ATOM 1094 O VAL A 69 -10.152 -4.723 -24.358 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.479 -4.351 -22.405 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.457 -3.353 -21.848 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.603 -4.523 -21.373 1.00 0.00 C ATOM 0 H VAL A 69 -8.998 -2.371 -22.849 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.062 -3.865 -24.434 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.038 -5.336 -22.558 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.131 -3.679 -20.860 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.597 -3.303 -22.515 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.915 -2.367 -21.772 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.177 -4.838 -20.420 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.124 -3.575 -21.241 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.307 -5.278 -21.724 1.00 0.00 H new ATOM 1107 N THR A 70 -8.388 -5.971 -24.988 1.00 0.00 N ATOM 1108 CA THR A 70 -9.102 -7.174 -25.388 1.00 0.00 C ATOM 1109 C THR A 70 -8.464 -8.407 -24.714 1.00 0.00 C ATOM 1110 O THR A 70 -9.045 -9.494 -24.741 1.00 0.00 O ATOM 1111 CB THR A 70 -9.142 -7.256 -26.929 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.843 -7.154 -27.485 1.00 0.00 O ATOM 1113 CG2 THR A 70 -9.979 -6.121 -27.538 1.00 0.00 C ATOM 0 H THR A 70 -7.388 -6.029 -25.181 1.00 0.00 H new ATOM 0 HA THR A 70 -10.138 -7.144 -25.050 1.00 0.00 H new ATOM 0 HB THR A 70 -9.587 -8.223 -27.163 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.900 -7.211 -28.462 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.982 -6.214 -28.624 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.001 -6.183 -27.165 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.548 -5.160 -27.257 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.307 -8.241 -24.057 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.620 -9.241 -23.246 1.00 0.00 C ATOM 1123 C ASP A 71 -5.825 -8.493 -22.173 1.00 0.00 C ATOM 1124 O ASP A 71 -5.259 -7.434 -22.457 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.678 -10.062 -24.135 1.00 0.00 C ATOM 1126 CG ASP A 71 -4.745 -10.973 -23.326 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -5.235 -11.725 -22.452 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.527 -10.979 -23.615 1.00 0.00 O ATOM 0 H ASP A 71 -6.803 -7.355 -24.082 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.330 -9.925 -22.781 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.269 -10.670 -24.820 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.079 -9.386 -24.745 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.806 -9.006 -20.943 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.169 -8.381 -19.789 1.00 0.00 C ATOM 1135 C ILE A 72 -4.762 -9.480 -18.798 1.00 0.00 C ATOM 1136 O ILE A 72 -5.507 -10.444 -18.600 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.108 -7.308 -19.168 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.505 -6.714 -17.871 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.548 -7.807 -18.916 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.133 -5.379 -17.445 1.00 0.00 C ATOM 0 H ILE A 72 -6.248 -9.897 -20.717 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.264 -7.850 -20.085 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.184 -6.522 -19.919 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.626 -7.435 -17.063 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.434 -6.571 -18.013 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.141 -7.002 -18.482 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.995 -8.119 -19.860 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.525 -8.652 -18.228 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.657 -5.029 -16.529 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.989 -4.641 -18.234 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.200 -5.518 -17.269 1.00 0.00 H new ATOM 1152 N SER A 73 -3.608 -9.301 -18.153 1.00 0.00 N ATOM 1153 CA SER A 73 -3.087 -10.147 -17.087 1.00 0.00 C ATOM 1154 C SER A 73 -2.426 -9.237 -16.049 1.00 0.00 C ATOM 1155 O SER A 73 -1.847 -8.208 -16.407 1.00 0.00 O ATOM 1156 CB SER A 73 -2.066 -11.143 -17.659 1.00 0.00 C ATOM 1157 OG SER A 73 -2.634 -11.954 -18.678 1.00 0.00 O ATOM 0 H SER A 73 -2.984 -8.524 -18.373 1.00 0.00 H new ATOM 0 HA SER A 73 -3.890 -10.720 -16.624 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.213 -10.598 -18.062 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.689 -11.778 -16.857 1.00 0.00 H new ATOM 0 HG SER A 73 -1.956 -12.574 -19.019 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.519 -9.605 -14.770 1.00 0.00 N ATOM 1164 CA VAL A 74 -2.149 -8.758 -13.638 1.00 0.00 C ATOM 1165 C VAL A 74 -1.389 -9.624 -12.629 1.00 0.00 C ATOM 1166 O VAL A 74 -1.781 -10.762 -12.354 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.427 -8.139 -13.016 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -3.125 -7.233 -11.810 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.246 -7.334 -14.041 1.00 0.00 C ATOM 0 H VAL A 74 -2.862 -10.523 -14.487 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.507 -7.935 -13.953 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.013 -8.993 -12.677 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.057 -6.828 -11.416 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.626 -7.814 -11.035 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.478 -6.414 -12.123 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.131 -6.921 -13.556 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.636 -6.522 -14.436 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.552 -7.989 -14.857 1.00 0.00 H new ATOM 1179 N THR A 75 -0.327 -9.061 -12.060 1.00 0.00 N ATOM 1180 CA THR A 75 0.444 -9.592 -10.946 1.00 0.00 C ATOM 1181 C THR A 75 0.601 -8.435 -9.948 1.00 0.00 C ATOM 1182 O THR A 75 0.597 -7.267 -10.351 1.00 0.00 O ATOM 1183 CB THR A 75 1.802 -10.104 -11.474 1.00 0.00 C ATOM 1184 OG1 THR A 75 1.630 -10.942 -12.606 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.590 -10.902 -10.428 1.00 0.00 C ATOM 0 H THR A 75 0.039 -8.167 -12.387 1.00 0.00 H new ATOM 0 HA THR A 75 -0.041 -10.436 -10.455 1.00 0.00 H new ATOM 0 HB THR A 75 2.363 -9.206 -11.734 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.505 -11.250 -12.921 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.534 -11.234 -10.859 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.789 -10.270 -9.562 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.008 -11.770 -10.118 1.00 0.00 H new ATOM 1193 N GLU A 76 0.756 -8.731 -8.657 1.00 0.00 N ATOM 1194 CA GLU A 76 0.985 -7.730 -7.619 1.00 0.00 C ATOM 1195 C GLU A 76 2.167 -8.173 -6.761 1.00 0.00 C ATOM 1196 O GLU A 76 2.435 -9.372 -6.628 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.279 -7.497 -6.775 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.400 -6.828 -7.585 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.629 -6.493 -6.721 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -3.171 -7.397 -6.045 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -3.100 -5.335 -6.769 1.00 0.00 O ATOM 0 H GLU A 76 0.725 -9.686 -8.300 1.00 0.00 H new ATOM 0 HA GLU A 76 1.222 -6.773 -8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.634 -8.451 -6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.031 -6.873 -5.916 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.019 -5.914 -8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.700 -7.488 -8.399 1.00 0.00 H new ATOM 1208 N SER A 77 2.878 -7.199 -6.196 1.00 0.00 N ATOM 1209 CA SER A 77 4.200 -7.375 -5.609 1.00 0.00 C ATOM 1210 C SER A 77 4.361 -6.424 -4.420 1.00 0.00 C ATOM 1211 O SER A 77 3.583 -5.483 -4.260 1.00 0.00 O ATOM 1212 CB SER A 77 5.272 -7.080 -6.676 1.00 0.00 C ATOM 1213 OG SER A 77 5.013 -7.739 -7.909 1.00 0.00 O ATOM 0 H SER A 77 2.538 -6.239 -6.133 1.00 0.00 H new ATOM 0 HA SER A 77 4.317 -8.401 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.323 -6.005 -6.847 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.247 -7.390 -6.301 1.00 0.00 H new ATOM 0 HG SER A 77 5.719 -7.519 -8.552 1.00 0.00 H new ATOM 1219 N ARG A 78 5.377 -6.654 -3.585 1.00 0.00 N ATOM 1220 CA ARG A 78 5.695 -5.814 -2.421 1.00 0.00 C ATOM 1221 C ARG A 78 7.099 -5.204 -2.557 1.00 0.00 C ATOM 1222 O ARG A 78 7.550 -4.507 -1.648 1.00 0.00 O ATOM 1223 CB ARG A 78 5.572 -6.645 -1.123 1.00 0.00 C ATOM 1224 CG ARG A 78 4.147 -6.906 -0.601 1.00 0.00 C ATOM 1225 CD ARG A 78 3.250 -7.725 -1.540 1.00 0.00 C ATOM 1226 NE ARG A 78 2.078 -8.274 -0.835 1.00 0.00 N ATOM 1227 CZ ARG A 78 1.124 -9.040 -1.382 1.00 0.00 C ATOM 1228 NH1 ARG A 78 1.180 -9.385 -2.669 1.00 0.00 N ATOM 1229 NH2 ARG A 78 0.106 -9.456 -0.636 1.00 0.00 N ATOM 0 H ARG A 78 6.015 -7.442 -3.698 1.00 0.00 H new ATOM 0 HA ARG A 78 4.981 -4.992 -2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.055 -7.608 -1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.134 -6.137 -0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.216 -7.425 0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.666 -5.947 -0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.916 -7.095 -2.365 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.828 -8.541 -1.975 1.00 0.00 H new ATOM 0 HE ARG A 78 1.985 -8.051 0.156 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.955 -9.065 -3.249 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.447 -9.969 -3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.053 -9.192 0.348 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.623 -10.039 -1.047 1.00 0.00 H new ATOM 1243 N SER A 79 7.804 -5.471 -3.660 1.00 0.00 N ATOM 1244 CA SER A 79 9.202 -5.110 -3.851 1.00 0.00 C ATOM 1245 C SER A 79 9.419 -3.592 -3.815 1.00 0.00 C ATOM 1246 O SER A 79 10.414 -3.144 -3.238 1.00 0.00 O ATOM 1247 CB SER A 79 9.685 -5.704 -5.182 1.00 0.00 C ATOM 1248 OG SER A 79 9.200 -7.032 -5.350 1.00 0.00 O ATOM 0 H SER A 79 7.403 -5.957 -4.462 1.00 0.00 H new ATOM 0 HA SER A 79 9.785 -5.521 -3.027 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.344 -5.080 -6.008 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.775 -5.704 -5.211 1.00 0.00 H new ATOM 0 HG SER A 79 9.518 -7.391 -6.205 1.00 0.00 H new ATOM 1254 N LEU A 80 8.471 -2.821 -4.375 1.00 0.00 N ATOM 1255 CA LEU A 80 8.566 -1.380 -4.635 1.00 0.00 C ATOM 1256 C LEU A 80 9.754 -1.038 -5.549 1.00 0.00 C ATOM 1257 O LEU A 80 10.601 -1.876 -5.864 1.00 0.00 O ATOM 1258 CB LEU A 80 8.564 -0.562 -3.319 1.00 0.00 C ATOM 1259 CG LEU A 80 7.176 -0.072 -2.867 1.00 0.00 C ATOM 1260 CD1 LEU A 80 6.156 -1.203 -2.687 1.00 0.00 C ATOM 1261 CD2 LEU A 80 7.330 0.689 -1.545 1.00 0.00 C ATOM 0 H LEU A 80 7.575 -3.208 -4.672 1.00 0.00 H new ATOM 0 HA LEU A 80 7.670 -1.086 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.994 -1.174 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.216 0.302 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 80 6.788 0.572 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.201 -0.785 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.024 -1.728 -3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.517 -1.901 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.354 1.042 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.752 0.025 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.994 1.541 -1.691 1.00 0.00 H new ATOM 1273 N GLU A 81 9.805 0.216 -5.996 1.00 0.00 N ATOM 1274 CA GLU A 81 10.794 0.725 -6.940 1.00 0.00 C ATOM 1275 C GLU A 81 11.506 1.968 -6.389 1.00 0.00 C ATOM 1276 O GLU A 81 12.597 2.308 -6.854 1.00 0.00 O ATOM 1277 CB GLU A 81 10.072 1.072 -8.253 1.00 0.00 C ATOM 1278 CG GLU A 81 9.407 -0.129 -8.942 1.00 0.00 C ATOM 1279 CD GLU A 81 10.415 -1.251 -9.282 1.00 0.00 C ATOM 1280 OE1 GLU A 81 11.539 -0.959 -9.750 1.00 0.00 O ATOM 1281 OE2 GLU A 81 10.076 -2.442 -9.107 1.00 0.00 O ATOM 0 H GLU A 81 9.136 0.927 -5.700 1.00 0.00 H new ATOM 0 HA GLU A 81 11.554 -0.038 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.312 1.826 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.789 1.520 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.628 -0.530 -8.294 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.919 0.206 -9.857 1.00 0.00 H new ATOM 1288 N GLY A 82 10.908 2.651 -5.407 1.00 0.00 N ATOM 1289 CA GLY A 82 11.306 3.991 -5.003 1.00 0.00 C ATOM 1290 C GLY A 82 10.992 5.005 -6.106 1.00 0.00 C ATOM 1291 O GLY A 82 11.674 6.027 -6.203 1.00 0.00 O ATOM 0 H GLY A 82 10.126 2.279 -4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.785 4.270 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.373 4.007 -4.780 1.00 0.00 H new ATOM 1295 N HIS A 83 10.017 4.709 -6.978 1.00 0.00 N ATOM 1296 CA HIS A 83 9.672 5.577 -8.098 1.00 0.00 C ATOM 1297 C HIS A 83 8.894 6.779 -7.557 1.00 0.00 C ATOM 1298 O HIS A 83 8.043 6.621 -6.676 1.00 0.00 O ATOM 1299 CB HIS A 83 8.868 4.799 -9.158 1.00 0.00 C ATOM 1300 CG HIS A 83 9.221 5.173 -10.578 1.00 0.00 C ATOM 1301 ND1 HIS A 83 8.424 5.823 -11.492 1.00 0.00 N ATOM 1302 CD2 HIS A 83 10.385 4.852 -11.227 1.00 0.00 C ATOM 1303 CE1 HIS A 83 9.083 5.880 -12.661 1.00 0.00 C ATOM 1304 NE2 HIS A 83 10.297 5.312 -12.548 1.00 0.00 N ATOM 0 H HIS A 83 9.451 3.862 -6.921 1.00 0.00 H new ATOM 0 HA HIS A 83 10.575 5.935 -8.592 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.038 3.731 -9.019 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.804 4.976 -8.998 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.492 6.197 -11.313 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.227 4.333 -10.794 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.692 6.321 -13.566 1.00 0.00 H new ATOM 1312 N HIS A 84 9.167 7.977 -8.079 1.00 0.00 N ATOM 1313 CA HIS A 84 8.571 9.240 -7.621 1.00 0.00 C ATOM 1314 C HIS A 84 8.055 10.065 -8.816 1.00 0.00 C ATOM 1315 O HIS A 84 7.891 11.284 -8.725 1.00 0.00 O ATOM 1316 CB HIS A 84 9.592 10.020 -6.763 1.00 0.00 C ATOM 1317 CG HIS A 84 9.993 9.378 -5.450 1.00 0.00 C ATOM 1318 ND1 HIS A 84 9.403 8.300 -4.824 1.00 0.00 N ATOM 1319 CD2 HIS A 84 10.998 9.811 -4.626 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.046 8.080 -3.666 1.00 0.00 C ATOM 1321 NE2 HIS A 84 11.029 8.983 -3.494 1.00 0.00 N ATOM 0 H HIS A 84 9.823 8.102 -8.850 1.00 0.00 H new ATOM 0 HA HIS A 84 7.706 9.026 -6.993 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.492 10.174 -7.358 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.178 11.006 -6.550 1.00 0.00 H new ATOM 0 HD1 HIS A 84 8.613 7.762 -5.180 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.655 10.647 -4.816 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.808 7.289 -2.970 1.00 0.00 H new ATOM 1329 N ARG A 85 7.812 9.405 -9.952 1.00 0.00 N ATOM 1330 CA ARG A 85 7.264 9.979 -11.179 1.00 0.00 C ATOM 1331 C ARG A 85 6.454 8.896 -11.889 1.00 0.00 C ATOM 1332 O ARG A 85 6.413 7.752 -11.423 1.00 0.00 O ATOM 1333 CB ARG A 85 8.397 10.554 -12.058 1.00 0.00 C ATOM 1334 CG ARG A 85 9.442 9.513 -12.502 1.00 0.00 C ATOM 1335 CD ARG A 85 10.482 10.107 -13.461 1.00 0.00 C ATOM 1336 NE ARG A 85 11.321 11.136 -12.816 1.00 0.00 N ATOM 1337 CZ ARG A 85 12.162 11.965 -13.450 1.00 0.00 C ATOM 1338 NH1 ARG A 85 12.306 11.905 -14.772 1.00 0.00 N ATOM 1339 NH2 ARG A 85 12.860 12.855 -12.752 1.00 0.00 N ATOM 0 H ARG A 85 8.002 8.407 -10.043 1.00 0.00 H new ATOM 0 HA ARG A 85 6.601 10.815 -10.957 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.957 11.012 -12.944 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.902 11.347 -11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.948 9.111 -11.624 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.937 8.679 -12.988 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.119 9.309 -13.841 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.972 10.544 -14.320 1.00 0.00 H new ATOM 0 HE ARG A 85 11.255 11.224 -11.802 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.774 11.223 -15.313 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.949 12.541 -15.244 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.754 12.905 -11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.501 13.488 -13.230 1.00 0.00 H new ATOM 1353 N PHE A 86 5.837 9.222 -13.017 1.00 0.00 N ATOM 1354 CA PHE A 86 5.061 8.287 -13.813 1.00 0.00 C ATOM 1355 C PHE A 86 5.433 8.525 -15.284 1.00 0.00 C ATOM 1356 O PHE A 86 5.535 9.684 -15.705 1.00 0.00 O ATOM 1357 CB PHE A 86 3.572 8.451 -13.462 1.00 0.00 C ATOM 1358 CG PHE A 86 2.964 9.798 -13.805 1.00 0.00 C ATOM 1359 CD1 PHE A 86 2.455 10.014 -15.095 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.916 10.834 -12.853 1.00 0.00 C ATOM 1361 CE1 PHE A 86 1.918 11.265 -15.449 1.00 0.00 C ATOM 1362 CE2 PHE A 86 2.376 12.086 -13.202 1.00 0.00 C ATOM 1363 CZ PHE A 86 1.883 12.304 -14.502 1.00 0.00 C ATOM 0 H PHE A 86 5.864 10.163 -13.410 1.00 0.00 H new ATOM 0 HA PHE A 86 5.282 7.241 -13.603 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.007 7.675 -13.979 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.447 8.277 -12.393 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.476 9.214 -15.821 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.294 10.668 -11.855 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.534 11.427 -16.445 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.340 12.880 -12.471 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.478 13.268 -14.772 1.00 0.00 H new ATOM 1373 N SER A 87 5.725 7.458 -16.037 1.00 0.00 N ATOM 1374 CA SER A 87 6.623 7.546 -17.191 1.00 0.00 C ATOM 1375 C SER A 87 6.220 6.645 -18.367 1.00 0.00 C ATOM 1376 O SER A 87 5.462 5.677 -18.236 1.00 0.00 O ATOM 1377 CB SER A 87 8.045 7.185 -16.725 1.00 0.00 C ATOM 1378 OG SER A 87 8.465 7.989 -15.633 1.00 0.00 O ATOM 0 H SER A 87 5.352 6.524 -15.867 1.00 0.00 H new ATOM 0 HA SER A 87 6.567 8.568 -17.567 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.076 6.135 -16.435 1.00 0.00 H new ATOM 0 HB3 SER A 87 8.741 7.308 -17.555 1.00 0.00 H new ATOM 0 HG SER A 87 9.371 7.729 -15.365 1.00 0.00 H new ATOM 1384 N ILE A 88 6.783 6.940 -19.538 1.00 0.00 N ATOM 1385 CA ILE A 88 6.584 6.190 -20.770 1.00 0.00 C ATOM 1386 C ILE A 88 7.995 5.892 -21.277 1.00 0.00 C ATOM 1387 O ILE A 88 8.778 6.817 -21.511 1.00 0.00 O ATOM 1388 CB ILE A 88 5.728 7.001 -21.780 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.427 7.529 -21.133 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.386 6.120 -22.993 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.449 8.245 -22.071 1.00 0.00 C ATOM 0 H ILE A 88 7.411 7.735 -19.655 1.00 0.00 H new ATOM 0 HA ILE A 88 6.026 5.266 -20.621 1.00 0.00 H new ATOM 0 HB ILE A 88 6.314 7.863 -22.100 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.908 6.689 -20.672 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.697 8.215 -20.330 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.785 6.692 -23.700 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.307 5.796 -23.478 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.823 5.247 -22.662 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.575 8.570 -21.506 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.939 9.112 -22.514 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.137 7.562 -22.861 1.00 0.00 H new ATOM 1403 N VAL A 89 8.340 4.609 -21.385 1.00 0.00 N ATOM 1404 CA VAL A 89 9.623 4.174 -21.929 1.00 0.00 C ATOM 1405 C VAL A 89 9.631 4.508 -23.432 1.00 0.00 C ATOM 1406 O VAL A 89 8.572 4.630 -24.057 1.00 0.00 O ATOM 1407 CB VAL A 89 9.830 2.671 -21.619 1.00 0.00 C ATOM 1408 CG1 VAL A 89 11.218 2.167 -22.053 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.702 2.380 -20.110 1.00 0.00 C ATOM 0 H VAL A 89 7.734 3.841 -21.096 1.00 0.00 H new ATOM 0 HA VAL A 89 10.465 4.692 -21.470 1.00 0.00 H new ATOM 0 HB VAL A 89 9.052 2.155 -22.182 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.312 1.108 -21.813 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.337 2.308 -23.127 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.990 2.728 -21.526 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.853 1.316 -19.931 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.454 2.950 -19.564 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.708 2.668 -19.767 1.00 0.00 H new ATOM 1419 N TYR A 90 10.819 4.676 -24.024 1.00 0.00 N ATOM 1420 CA TYR A 90 10.947 4.941 -25.455 1.00 0.00 C ATOM 1421 C TYR A 90 10.355 3.789 -26.274 1.00 0.00 C ATOM 1422 O TYR A 90 9.612 4.028 -27.228 1.00 0.00 O ATOM 1423 CB TYR A 90 12.420 5.178 -25.821 1.00 0.00 C ATOM 1424 CG TYR A 90 13.078 6.317 -25.060 1.00 0.00 C ATOM 1425 CD1 TYR A 90 12.726 7.651 -25.347 1.00 0.00 C ATOM 1426 CD2 TYR A 90 14.030 6.045 -24.057 1.00 0.00 C ATOM 1427 CE1 TYR A 90 13.316 8.710 -24.636 1.00 0.00 C ATOM 1428 CE2 TYR A 90 14.625 7.100 -23.342 1.00 0.00 C ATOM 1429 CZ TYR A 90 14.271 8.439 -23.627 1.00 0.00 C ATOM 1430 OH TYR A 90 14.855 9.452 -22.926 1.00 0.00 O ATOM 0 H TYR A 90 11.709 4.632 -23.527 1.00 0.00 H new ATOM 0 HA TYR A 90 10.385 5.844 -25.695 1.00 0.00 H new ATOM 0 HB2 TYR A 90 12.980 4.261 -25.636 1.00 0.00 H new ATOM 0 HB3 TYR A 90 12.488 5.383 -26.889 1.00 0.00 H new ATOM 0 HD1 TYR A 90 11.999 7.861 -26.118 1.00 0.00 H new ATOM 0 HD2 TYR A 90 14.303 5.024 -23.837 1.00 0.00 H new ATOM 0 HE1 TYR A 90 13.041 9.730 -24.859 1.00 0.00 H new ATOM 0 HE2 TYR A 90 15.354 6.887 -22.574 1.00 0.00 H new ATOM 0 HH TYR A 90 15.484 9.078 -22.274 1.00 0.00 H new ATOM 1440 N SER A 91 10.659 2.552 -25.873 1.00 0.00 N ATOM 1441 CA SER A 91 10.118 1.324 -26.436 1.00 0.00 C ATOM 1442 C SER A 91 8.602 1.326 -26.276 1.00 0.00 C ATOM 1443 O SER A 91 7.897 1.555 -27.280 1.00 0.00 O ATOM 1444 CB SER A 91 10.762 0.114 -25.742 1.00 0.00 C ATOM 1445 OG SER A 91 12.179 0.246 -25.728 1.00 0.00 O ATOM 1446 OXT SER A 91 8.118 1.157 -25.139 1.00 0.00 O ATOM 0 H SER A 91 11.318 2.377 -25.114 1.00 0.00 H new ATOM 0 HA SER A 91 10.347 1.259 -27.500 1.00 0.00 H new ATOM 0 HB2 SER A 91 10.388 0.031 -24.722 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.481 -0.803 -26.260 1.00 0.00 H new ATOM 0 HG SER A 91 12.576 -0.531 -25.281 1.00 0.00 H new TER 1452 SER A 91