USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 735 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 50 ASN : amide:sc= -1.65 K(o=-1.8,f=-2.5) USER MOD Set 1.2: A 51 ASN :FLIP amide:sc= 0.396 F(o=-3.3,f=-1.8) USER MOD Set 1.3: A 54 LYS NZ :NH3+ -133:sc= -0.571 (180deg=-0.541) USER MOD Set 2.1: A 9 THR OG1 : rot 172:sc= -0.844 USER MOD Set 2.2: A 46 MET CE :methyl -163:sc= -3.67 (180deg=-3.77!) USER MOD Set 3.1: A 6 TYR OH : rot -61:sc= 0.164 USER MOD Set 3.2: A 38 TYR OH : rot -102:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.58 (180deg=-0.026) USER MOD Single : A 3 THR OG1 : rot 47:sc= 0.26 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -139:sc= 0.877 USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= -0.0343 (180deg=-0.249) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0285) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00461 USER MOD Single : A 22 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.3!) USER MOD Single : A 25 SER OG : rot -22:sc= 0.668 USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= -0.154 (180deg=-0.499) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -147:sc= -0.0724 (180deg=-1.14) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -48:sc= -1.25 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0171 K(o=-0.017,f=-0.79) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.1!) USER MOD Single : A 61 ASN : amide:sc= -5.33! C(o=-5.3!,f=-9.3!) USER MOD Single : A 63 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.3) USER MOD Single : A 64 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.057) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -20:sc= 0.568 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 130:sc= -1.84 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -156:sc= -0.131 (180deg=-0.604) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.497 0.226 -0.371 1.00 0.00 N ATOM 2 CA MET A 1 2.024 0.383 -1.722 1.00 0.00 C ATOM 3 C MET A 1 1.335 -0.574 -2.689 1.00 0.00 C ATOM 4 O MET A 1 0.646 -1.505 -2.272 1.00 0.00 O ATOM 5 CB MET A 1 3.535 0.139 -1.735 1.00 0.00 C ATOM 6 CG MET A 1 3.928 -1.261 -1.293 1.00 0.00 C ATOM 7 SD MET A 1 4.310 -1.353 0.467 1.00 0.00 S ATOM 8 CE MET A 1 3.637 -2.962 0.876 1.00 0.00 C ATOM 0 H1 MET A 1 1.273 1.161 0.025 1.00 0.00 H new ATOM 0 H2 MET A 1 0.634 -0.354 -0.400 1.00 0.00 H new ATOM 0 H3 MET A 1 2.208 -0.242 0.227 1.00 0.00 H new ATOM 0 HA MET A 1 1.825 1.405 -2.046 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.914 0.313 -2.742 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.018 0.866 -1.082 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.116 -1.951 -1.521 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.795 -1.589 -1.867 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.796 -3.164 1.935 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.569 -2.975 0.661 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.136 -3.727 0.281 1.00 0.00 H new ATOM 18 N VAL A 2 1.524 -0.338 -3.984 1.00 0.00 N ATOM 19 CA VAL A 2 0.921 -1.179 -5.010 1.00 0.00 C ATOM 20 C VAL A 2 1.987 -1.825 -5.889 1.00 0.00 C ATOM 21 O VAL A 2 2.925 -1.163 -6.334 1.00 0.00 O ATOM 22 CB VAL A 2 -0.044 -0.374 -5.901 1.00 0.00 C ATOM 23 CG1 VAL A 2 -1.102 0.316 -5.054 1.00 0.00 C ATOM 24 CG2 VAL A 2 0.724 0.638 -6.738 1.00 0.00 C ATOM 0 H VAL A 2 2.090 0.429 -4.347 1.00 0.00 H new ATOM 0 HA VAL A 2 0.361 -1.957 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.548 -1.064 -6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.775 0.880 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.671 -0.432 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.619 0.996 -4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 2 0.027 1.198 -7.362 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.256 1.326 -6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 2 1.440 0.116 -7.373 1.00 0.00 H new ATOM 34 N THR A 3 1.836 -3.122 -6.136 1.00 0.00 N ATOM 35 CA THR A 3 2.786 -3.858 -6.961 1.00 0.00 C ATOM 36 C THR A 3 2.367 -3.845 -8.426 1.00 0.00 C ATOM 37 O THR A 3 1.348 -4.428 -8.796 1.00 0.00 O ATOM 38 CB THR A 3 2.924 -5.319 -6.491 1.00 0.00 C ATOM 39 OG1 THR A 3 1.720 -5.740 -5.840 1.00 0.00 O ATOM 40 CG2 THR A 3 4.101 -5.473 -5.540 1.00 0.00 C ATOM 0 H THR A 3 1.065 -3.685 -5.777 1.00 0.00 H new ATOM 0 HA THR A 3 3.749 -3.358 -6.857 1.00 0.00 H new ATOM 0 HB THR A 3 3.101 -5.944 -7.367 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.947 -5.481 -6.383 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.178 -6.513 -5.222 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.020 -5.180 -6.048 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.950 -4.837 -4.668 1.00 0.00 H new ATOM 48 N VAL A 4 3.161 -3.177 -9.257 1.00 0.00 N ATOM 49 CA VAL A 4 2.873 -3.089 -10.684 1.00 0.00 C ATOM 50 C VAL A 4 3.851 -3.931 -11.495 1.00 0.00 C ATOM 51 O VAL A 4 5.048 -3.959 -11.208 1.00 0.00 O ATOM 52 CB VAL A 4 2.933 -1.632 -11.180 1.00 0.00 C ATOM 53 CG1 VAL A 4 2.746 -1.574 -12.689 1.00 0.00 C ATOM 54 CG2 VAL A 4 1.887 -0.785 -10.472 1.00 0.00 C ATOM 0 H VAL A 4 4.008 -2.689 -8.967 1.00 0.00 H new ATOM 0 HA VAL A 4 1.863 -3.472 -10.827 1.00 0.00 H new ATOM 0 HB VAL A 4 3.917 -1.226 -10.944 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.791 -0.537 -13.022 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.536 -2.146 -13.176 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.777 -1.997 -12.952 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.944 0.241 -10.835 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.895 -1.187 -10.675 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.072 -0.801 -9.398 1.00 0.00 H new ATOM 64 N ARG A 5 3.334 -4.617 -12.509 1.00 0.00 N ATOM 65 CA ARG A 5 4.162 -5.461 -13.362 1.00 0.00 C ATOM 66 C ARG A 5 4.258 -4.883 -14.770 1.00 0.00 C ATOM 67 O ARG A 5 3.383 -4.134 -15.206 1.00 0.00 O ATOM 68 CB ARG A 5 3.593 -6.880 -13.418 1.00 0.00 C ATOM 69 CG ARG A 5 4.651 -7.954 -13.613 1.00 0.00 C ATOM 70 CD ARG A 5 5.119 -8.523 -12.282 1.00 0.00 C ATOM 71 NE ARG A 5 4.354 -9.705 -11.894 1.00 0.00 N ATOM 72 CZ ARG A 5 4.493 -10.893 -12.471 1.00 0.00 C ATOM 73 NH1 ARG A 5 5.364 -11.056 -13.458 1.00 0.00 N ATOM 74 NH2 ARG A 5 3.761 -11.921 -12.061 1.00 0.00 N ATOM 0 H ARG A 5 2.345 -4.605 -12.760 1.00 0.00 H new ATOM 0 HA ARG A 5 5.164 -5.496 -12.934 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.049 -7.081 -12.495 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.871 -6.941 -14.233 1.00 0.00 H new ATOM 0 HG2 ARG A 5 4.247 -8.756 -14.231 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.502 -7.535 -14.150 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.176 -8.781 -12.349 1.00 0.00 H new ATOM 0 HD3 ARG A 5 5.026 -7.761 -11.509 1.00 0.00 H new ATOM 0 HE ARG A 5 3.675 -9.613 -11.138 1.00 0.00 H new ATOM 0 HH11 ARG A 5 5.929 -10.268 -13.775 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.469 -11.969 -13.900 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.091 -11.799 -11.302 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.869 -12.833 -12.505 1.00 0.00 H new ATOM 88 N TYR A 6 5.326 -5.236 -15.478 1.00 0.00 N ATOM 89 CA TYR A 6 5.537 -4.750 -16.836 1.00 0.00 C ATOM 90 C TYR A 6 5.771 -5.910 -17.799 1.00 0.00 C ATOM 91 O TYR A 6 6.539 -6.828 -17.509 1.00 0.00 O ATOM 92 CB TYR A 6 6.728 -3.791 -16.878 1.00 0.00 C ATOM 93 CG TYR A 6 6.800 -2.863 -15.686 1.00 0.00 C ATOM 94 CD1 TYR A 6 5.714 -2.071 -15.331 1.00 0.00 C ATOM 95 CD2 TYR A 6 7.953 -2.778 -14.915 1.00 0.00 C ATOM 96 CE1 TYR A 6 5.776 -1.221 -14.243 1.00 0.00 C ATOM 97 CE2 TYR A 6 8.022 -1.932 -13.825 1.00 0.00 C ATOM 98 CZ TYR A 6 6.932 -1.155 -13.494 1.00 0.00 C ATOM 99 OH TYR A 6 6.996 -0.311 -12.409 1.00 0.00 O ATOM 0 H TYR A 6 6.058 -5.857 -15.134 1.00 0.00 H new ATOM 0 HA TYR A 6 4.639 -4.217 -17.148 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.649 -4.371 -16.932 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.672 -3.195 -17.789 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.807 -2.121 -15.915 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.810 -3.383 -15.172 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.924 -0.612 -13.981 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.925 -1.879 -13.235 1.00 0.00 H new ATOM 0 HH TYR A 6 6.873 0.614 -12.707 1.00 0.00 H new ATOM 109 N TYR A 7 5.102 -5.862 -18.946 1.00 0.00 N ATOM 110 CA TYR A 7 5.234 -6.909 -19.952 1.00 0.00 C ATOM 111 C TYR A 7 5.571 -6.314 -21.316 1.00 0.00 C ATOM 112 O TYR A 7 6.417 -6.835 -22.042 1.00 0.00 O ATOM 113 CB TYR A 7 3.943 -7.723 -20.043 1.00 0.00 C ATOM 114 CG TYR A 7 3.682 -8.582 -18.826 1.00 0.00 C ATOM 115 CD1 TYR A 7 3.163 -8.030 -17.661 1.00 0.00 C ATOM 116 CD2 TYR A 7 3.954 -9.944 -18.841 1.00 0.00 C ATOM 117 CE1 TYR A 7 2.924 -8.810 -16.547 1.00 0.00 C ATOM 118 CE2 TYR A 7 3.716 -10.732 -17.732 1.00 0.00 C ATOM 119 CZ TYR A 7 3.201 -10.161 -16.587 1.00 0.00 C ATOM 120 OH TYR A 7 2.964 -10.942 -15.480 1.00 0.00 O ATOM 0 H TYR A 7 4.463 -5.109 -19.202 1.00 0.00 H new ATOM 0 HA TYR A 7 6.050 -7.567 -19.651 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.103 -7.042 -20.184 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.987 -8.361 -20.925 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.943 -6.973 -17.626 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.359 -10.395 -19.735 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.522 -8.365 -15.649 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.932 -11.790 -17.761 1.00 0.00 H new ATOM 0 HH TYR A 7 3.212 -11.870 -15.675 1.00 0.00 H new ATOM 130 N ALA A 8 4.901 -5.218 -21.658 1.00 0.00 N ATOM 131 CA ALA A 8 5.130 -4.549 -22.933 1.00 0.00 C ATOM 132 C ALA A 8 6.546 -3.989 -23.013 1.00 0.00 C ATOM 133 O ALA A 8 7.447 -4.448 -22.310 1.00 0.00 O ATOM 134 CB ALA A 8 4.109 -3.440 -23.138 1.00 0.00 C ATOM 0 H ALA A 8 4.195 -4.775 -21.070 1.00 0.00 H new ATOM 0 HA ALA A 8 5.014 -5.286 -23.728 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.292 -2.949 -24.094 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.105 -3.864 -23.134 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.197 -2.711 -22.333 1.00 0.00 H new ATOM 140 N THR A 9 6.736 -2.994 -23.874 1.00 0.00 N ATOM 141 CA THR A 9 8.043 -2.373 -24.047 1.00 0.00 C ATOM 142 C THR A 9 8.494 -1.676 -22.769 1.00 0.00 C ATOM 143 O THR A 9 9.646 -1.256 -22.651 1.00 0.00 O ATOM 144 CB THR A 9 8.031 -1.350 -25.199 1.00 0.00 C ATOM 145 OG1 THR A 9 7.135 -0.276 -24.891 1.00 0.00 O ATOM 146 CG2 THR A 9 7.610 -2.010 -26.504 1.00 0.00 C ATOM 0 H THR A 9 6.001 -2.601 -24.462 1.00 0.00 H new ATOM 0 HA THR A 9 8.743 -3.173 -24.288 1.00 0.00 H new ATOM 0 HB THR A 9 9.041 -0.957 -25.318 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.228 0.431 -25.563 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.609 -1.268 -27.303 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.310 -2.808 -26.751 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.609 -2.427 -26.394 1.00 0.00 H new ATOM 154 N LEU A 10 7.580 -1.556 -21.812 1.00 0.00 N ATOM 155 CA LEU A 10 7.884 -0.909 -20.540 1.00 0.00 C ATOM 156 C LEU A 10 8.964 -1.677 -19.784 1.00 0.00 C ATOM 157 O LEU A 10 9.782 -1.085 -19.080 1.00 0.00 O ATOM 158 CB LEU A 10 6.621 -0.806 -19.683 1.00 0.00 C ATOM 159 CG LEU A 10 6.562 0.377 -18.716 1.00 0.00 C ATOM 160 CD1 LEU A 10 5.145 0.571 -18.197 1.00 0.00 C ATOM 161 CD2 LEU A 10 7.531 0.171 -17.561 1.00 0.00 C ATOM 0 H LEU A 10 6.622 -1.898 -21.893 1.00 0.00 H new ATOM 0 HA LEU A 10 8.256 0.094 -20.750 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.759 -0.750 -20.347 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.521 -1.726 -19.107 1.00 0.00 H new ATOM 0 HG LEU A 10 6.857 1.277 -19.255 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.122 1.417 -17.510 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.474 0.765 -19.034 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.822 -0.330 -17.674 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.475 1.023 -16.883 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.267 -0.739 -17.023 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.546 0.082 -17.949 1.00 0.00 H new ATOM 173 N ARG A 11 8.960 -2.997 -19.935 1.00 0.00 N ATOM 174 CA ARG A 11 9.939 -3.846 -19.267 1.00 0.00 C ATOM 175 C ARG A 11 11.360 -3.382 -19.576 1.00 0.00 C ATOM 176 O ARG A 11 12.118 -2.990 -18.688 1.00 0.00 O ATOM 177 CB ARG A 11 9.762 -5.303 -19.698 1.00 0.00 C ATOM 178 CG ARG A 11 9.326 -6.223 -18.570 1.00 0.00 C ATOM 179 CD ARG A 11 10.374 -7.287 -18.282 1.00 0.00 C ATOM 180 NE ARG A 11 10.417 -8.309 -19.325 1.00 0.00 N ATOM 181 CZ ARG A 11 11.187 -9.389 -19.264 1.00 0.00 C ATOM 182 NH1 ARG A 11 11.974 -9.587 -18.215 1.00 0.00 N ATOM 183 NH2 ARG A 11 11.171 -10.274 -20.252 1.00 0.00 N ATOM 0 H ARG A 11 8.289 -3.502 -20.514 1.00 0.00 H new ATOM 0 HA ARG A 11 9.775 -3.771 -18.192 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.024 -5.349 -20.499 1.00 0.00 H new ATOM 0 HB3 ARG A 11 10.703 -5.668 -20.110 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.145 -5.636 -17.670 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.383 -6.702 -18.833 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.353 -6.817 -18.194 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.159 -7.757 -17.322 1.00 0.00 H new ATOM 0 HE ARG A 11 9.823 -8.186 -20.145 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.989 -8.909 -17.453 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.565 -10.417 -18.170 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.567 -10.125 -21.060 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.763 -11.103 -20.204 1.00 0.00 H new ATOM 197 N PRO A 12 11.732 -3.429 -20.864 1.00 0.00 N ATOM 198 CA PRO A 12 13.063 -3.018 -21.319 1.00 0.00 C ATOM 199 C PRO A 12 13.273 -1.512 -21.212 1.00 0.00 C ATOM 200 O PRO A 12 14.382 -1.015 -21.408 1.00 0.00 O ATOM 201 CB PRO A 12 13.088 -3.458 -22.785 1.00 0.00 C ATOM 202 CG PRO A 12 11.657 -3.483 -23.198 1.00 0.00 C ATOM 203 CD PRO A 12 10.880 -3.886 -21.975 1.00 0.00 C ATOM 0 HA PRO A 12 13.855 -3.459 -20.713 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.664 -2.764 -23.397 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.549 -4.439 -22.896 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.338 -2.505 -23.558 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.498 -4.190 -24.012 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.898 -3.414 -21.949 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.717 -4.963 -21.939 1.00 0.00 H new ATOM 211 N ILE A 13 12.202 -0.790 -20.899 1.00 0.00 N ATOM 212 CA ILE A 13 12.270 0.659 -20.764 1.00 0.00 C ATOM 213 C ILE A 13 12.751 1.060 -19.373 1.00 0.00 C ATOM 214 O ILE A 13 13.462 2.052 -19.211 1.00 0.00 O ATOM 215 CB ILE A 13 10.902 1.315 -21.030 1.00 0.00 C ATOM 216 CG1 ILE A 13 10.651 1.428 -22.535 1.00 0.00 C ATOM 217 CG2 ILE A 13 10.834 2.685 -20.372 1.00 0.00 C ATOM 218 CD1 ILE A 13 9.189 1.579 -22.893 1.00 0.00 C ATOM 0 H ILE A 13 11.276 -1.186 -20.734 1.00 0.00 H new ATOM 0 HA ILE A 13 12.984 1.011 -21.509 1.00 0.00 H new ATOM 0 HB ILE A 13 10.124 0.687 -20.597 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.202 2.284 -22.924 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.048 0.541 -23.029 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.861 3.135 -20.569 1.00 0.00 H new ATOM 0 HG22 ILE A 13 10.974 2.579 -19.296 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.619 3.323 -20.779 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.085 1.654 -23.975 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.635 0.711 -22.534 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.792 2.481 -22.428 1.00 0.00 H new ATOM 230 N THR A 14 12.360 0.280 -18.370 1.00 0.00 N ATOM 231 CA THR A 14 12.751 0.552 -16.993 1.00 0.00 C ATOM 232 C THR A 14 13.778 -0.463 -16.502 1.00 0.00 C ATOM 233 O THR A 14 14.376 -0.292 -15.440 1.00 0.00 O ATOM 234 CB THR A 14 11.534 0.531 -16.048 1.00 0.00 C ATOM 235 OG1 THR A 14 10.393 1.093 -16.707 1.00 0.00 O ATOM 236 CG2 THR A 14 11.824 1.309 -14.774 1.00 0.00 C ATOM 0 H THR A 14 11.772 -0.546 -18.486 1.00 0.00 H new ATOM 0 HA THR A 14 13.194 1.548 -16.982 1.00 0.00 H new ATOM 0 HB THR A 14 11.326 -0.505 -15.782 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.899 1.660 -16.079 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.950 1.280 -14.123 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.675 0.861 -14.260 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.055 2.344 -15.025 1.00 0.00 H new ATOM 244 N LYS A 15 13.978 -1.519 -17.282 1.00 0.00 N ATOM 245 CA LYS A 15 14.934 -2.562 -16.929 1.00 0.00 C ATOM 246 C LYS A 15 14.517 -3.270 -15.645 1.00 0.00 C ATOM 247 O LYS A 15 15.360 -3.662 -14.837 1.00 0.00 O ATOM 248 CB LYS A 15 16.333 -1.964 -16.763 1.00 0.00 C ATOM 249 CG LYS A 15 17.444 -3.000 -16.781 1.00 0.00 C ATOM 250 CD LYS A 15 18.769 -2.390 -17.207 1.00 0.00 C ATOM 251 CE LYS A 15 19.350 -1.503 -16.116 1.00 0.00 C ATOM 252 NZ LYS A 15 19.758 -2.290 -14.920 1.00 0.00 N ATOM 0 H LYS A 15 13.490 -1.676 -18.164 1.00 0.00 H new ATOM 0 HA LYS A 15 14.951 -3.293 -17.737 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.508 -1.243 -17.561 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.375 -1.415 -15.822 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.548 -3.441 -15.790 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.178 -3.808 -17.463 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.476 -3.184 -17.447 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.626 -1.805 -18.116 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.213 -0.964 -16.507 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.612 -0.755 -15.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.398 -1.720 -14.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.914 -2.545 -14.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.248 -3.156 -15.224 1.00 0.00 H new ATOM 266 N LYS A 16 13.211 -3.434 -15.462 1.00 0.00 N ATOM 267 CA LYS A 16 12.681 -4.098 -14.277 1.00 0.00 C ATOM 268 C LYS A 16 11.481 -4.970 -14.633 1.00 0.00 C ATOM 269 O LYS A 16 10.858 -4.789 -15.680 1.00 0.00 O ATOM 270 CB LYS A 16 12.278 -3.063 -13.224 1.00 0.00 C ATOM 271 CG LYS A 16 13.456 -2.321 -12.618 1.00 0.00 C ATOM 272 CD LYS A 16 13.092 -0.890 -12.263 1.00 0.00 C ATOM 273 CE LYS A 16 14.309 0.021 -12.301 1.00 0.00 C ATOM 274 NZ LYS A 16 15.124 -0.090 -11.059 1.00 0.00 N ATOM 0 H LYS A 16 12.500 -3.116 -16.120 1.00 0.00 H new ATOM 0 HA LYS A 16 13.464 -4.737 -13.869 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.599 -2.341 -13.678 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.726 -3.563 -12.428 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.795 -2.844 -11.723 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.288 -2.322 -13.322 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.339 -0.522 -12.959 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.647 -0.863 -11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.925 -0.232 -13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.986 1.054 -12.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.944 0.546 -11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.544 0.176 -10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.454 -1.070 -10.947 1.00 0.00 H new ATOM 288 N LYS A 17 11.162 -5.916 -13.756 1.00 0.00 N ATOM 289 CA LYS A 17 10.035 -6.815 -13.976 1.00 0.00 C ATOM 290 C LYS A 17 8.848 -6.422 -13.103 1.00 0.00 C ATOM 291 O LYS A 17 7.696 -6.526 -13.524 1.00 0.00 O ATOM 292 CB LYS A 17 10.444 -8.259 -13.680 1.00 0.00 C ATOM 293 CG LYS A 17 10.838 -8.495 -12.232 1.00 0.00 C ATOM 294 CD LYS A 17 11.762 -9.693 -12.094 1.00 0.00 C ATOM 295 CE LYS A 17 13.214 -9.307 -12.330 1.00 0.00 C ATOM 296 NZ LYS A 17 13.797 -8.597 -11.159 1.00 0.00 N ATOM 0 H LYS A 17 11.668 -6.080 -12.886 1.00 0.00 H new ATOM 0 HA LYS A 17 9.737 -6.735 -15.021 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.617 -8.922 -13.935 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.280 -8.530 -14.324 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.332 -7.606 -11.839 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.942 -8.654 -11.632 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.656 -10.123 -11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.469 -10.464 -12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.798 -10.203 -12.539 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.281 -8.669 -13.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.819 -8.471 -11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.345 -7.666 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.635 -9.157 -10.298 1.00 0.00 H new ATOM 310 N GLU A 18 9.137 -5.969 -11.887 1.00 0.00 N ATOM 311 CA GLU A 18 8.091 -5.560 -10.957 1.00 0.00 C ATOM 312 C GLU A 18 8.619 -4.527 -9.965 1.00 0.00 C ATOM 313 O GLU A 18 9.788 -4.559 -9.584 1.00 0.00 O ATOM 314 CB GLU A 18 7.545 -6.775 -10.203 1.00 0.00 C ATOM 315 CG GLU A 18 6.536 -6.418 -9.124 1.00 0.00 C ATOM 316 CD GLU A 18 7.188 -6.156 -7.780 1.00 0.00 C ATOM 317 OE1 GLU A 18 7.821 -7.086 -7.237 1.00 0.00 O ATOM 318 OE2 GLU A 18 7.065 -5.022 -7.271 1.00 0.00 O ATOM 0 H GLU A 18 10.085 -5.876 -11.523 1.00 0.00 H new ATOM 0 HA GLU A 18 7.285 -5.106 -11.533 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.077 -7.454 -10.916 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.376 -7.313 -9.748 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.978 -5.534 -9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.816 -7.230 -9.022 1.00 0.00 H new ATOM 325 N GLU A 19 7.747 -3.613 -9.552 1.00 0.00 N ATOM 326 CA GLU A 19 8.126 -2.570 -8.606 1.00 0.00 C ATOM 327 C GLU A 19 6.917 -2.099 -7.803 1.00 0.00 C ATOM 328 O GLU A 19 5.771 -2.327 -8.192 1.00 0.00 O ATOM 329 CB GLU A 19 8.754 -1.385 -9.343 1.00 0.00 C ATOM 330 CG GLU A 19 9.752 -0.605 -8.503 1.00 0.00 C ATOM 331 CD GLU A 19 10.897 -1.467 -8.008 1.00 0.00 C ATOM 332 OE1 GLU A 19 11.215 -2.473 -8.675 1.00 0.00 O ATOM 333 OE2 GLU A 19 11.475 -1.134 -6.952 1.00 0.00 O ATOM 0 H GLU A 19 6.774 -3.573 -9.857 1.00 0.00 H new ATOM 0 HA GLU A 19 8.859 -2.990 -7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.254 -1.750 -10.240 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.963 -0.711 -9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.152 0.220 -9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.237 -0.166 -7.649 1.00 0.00 H new ATOM 340 N THR A 20 7.181 -1.440 -6.678 1.00 0.00 N ATOM 341 CA THR A 20 6.116 -0.939 -5.818 1.00 0.00 C ATOM 342 C THR A 20 6.001 0.578 -5.914 1.00 0.00 C ATOM 343 O THR A 20 6.954 1.261 -6.293 1.00 0.00 O ATOM 344 CB THR A 20 6.349 -1.333 -4.348 1.00 0.00 C ATOM 345 OG1 THR A 20 7.737 -1.202 -4.019 1.00 0.00 O ATOM 346 CG2 THR A 20 5.894 -2.762 -4.092 1.00 0.00 C ATOM 0 H THR A 20 8.123 -1.241 -6.342 1.00 0.00 H new ATOM 0 HA THR A 20 5.188 -1.394 -6.165 1.00 0.00 H new ATOM 0 HB THR A 20 5.763 -0.664 -3.718 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.876 -1.453 -3.082 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.069 -3.018 -3.047 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.831 -2.851 -4.315 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.456 -3.443 -4.731 1.00 0.00 H new ATOM 354 N PHE A 21 4.830 1.101 -5.568 1.00 0.00 N ATOM 355 CA PHE A 21 4.590 2.539 -5.615 1.00 0.00 C ATOM 356 C PHE A 21 3.625 2.966 -4.513 1.00 0.00 C ATOM 357 O PHE A 21 2.927 2.138 -3.929 1.00 0.00 O ATOM 358 CB PHE A 21 4.031 2.940 -6.982 1.00 0.00 C ATOM 359 CG PHE A 21 4.919 2.551 -8.130 1.00 0.00 C ATOM 360 CD1 PHE A 21 6.120 3.206 -8.347 1.00 0.00 C ATOM 361 CD2 PHE A 21 4.551 1.530 -8.992 1.00 0.00 C ATOM 362 CE1 PHE A 21 6.939 2.850 -9.402 1.00 0.00 C ATOM 363 CE2 PHE A 21 5.366 1.170 -10.048 1.00 0.00 C ATOM 364 CZ PHE A 21 6.561 1.831 -10.254 1.00 0.00 C ATOM 0 H PHE A 21 4.032 0.551 -5.252 1.00 0.00 H new ATOM 0 HA PHE A 21 5.542 3.046 -5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.053 2.477 -7.116 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.878 4.019 -7.001 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.420 4.004 -7.684 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.617 1.010 -8.837 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.873 3.368 -9.560 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.069 0.372 -10.712 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.199 1.552 -11.080 1.00 0.00 H new ATOM 374 N ASN A 22 3.591 4.265 -4.235 1.00 0.00 N ATOM 375 CA ASN A 22 2.713 4.803 -3.203 1.00 0.00 C ATOM 376 C ASN A 22 1.991 6.052 -3.700 1.00 0.00 C ATOM 377 O ASN A 22 2.605 6.950 -4.274 1.00 0.00 O ATOM 378 CB ASN A 22 3.514 5.132 -1.942 1.00 0.00 C ATOM 379 CG ASN A 22 2.672 5.047 -0.683 1.00 0.00 C ATOM 380 OD1 ASN A 22 1.565 4.511 -0.699 1.00 0.00 O ATOM 381 ND2 ASN A 22 3.196 5.579 0.415 1.00 0.00 N ATOM 0 H ASN A 22 4.161 4.964 -4.710 1.00 0.00 H new ATOM 0 HA ASN A 22 1.968 4.044 -2.964 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.356 4.444 -1.860 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.930 6.136 -2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.676 5.553 1.292 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.118 6.013 0.381 1.00 0.00 H new ATOM 388 N GLY A 23 0.681 6.102 -3.473 1.00 0.00 N ATOM 389 CA GLY A 23 -0.103 7.245 -3.903 1.00 0.00 C ATOM 390 C GLY A 23 -1.162 6.871 -4.921 1.00 0.00 C ATOM 391 O GLY A 23 -2.301 7.332 -4.838 1.00 0.00 O ATOM 0 H GLY A 23 0.150 5.372 -2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.581 7.700 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.560 7.996 -4.332 1.00 0.00 H new ATOM 395 N ILE A 24 -0.787 6.035 -5.883 1.00 0.00 N ATOM 396 CA ILE A 24 -1.714 5.601 -6.921 1.00 0.00 C ATOM 397 C ILE A 24 -2.835 4.748 -6.335 1.00 0.00 C ATOM 398 O ILE A 24 -2.582 3.735 -5.684 1.00 0.00 O ATOM 399 CB ILE A 24 -0.993 4.797 -8.019 1.00 0.00 C ATOM 400 CG1 ILE A 24 0.101 5.647 -8.669 1.00 0.00 C ATOM 401 CG2 ILE A 24 -1.989 4.316 -9.064 1.00 0.00 C ATOM 402 CD1 ILE A 24 1.351 4.866 -9.009 1.00 0.00 C ATOM 0 H ILE A 24 0.152 5.645 -5.965 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.139 6.503 -7.362 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.526 3.925 -7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.294 6.099 -9.579 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.364 6.463 -7.996 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.464 3.749 -9.833 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.735 3.679 -8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.482 5.175 -9.519 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.083 5.532 -9.466 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.770 4.436 -8.099 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.102 4.067 -9.707 1.00 0.00 H new ATOM 414 N SER A 25 -4.074 5.166 -6.573 1.00 0.00 N ATOM 415 CA SER A 25 -5.235 4.442 -6.067 1.00 0.00 C ATOM 416 C SER A 25 -6.240 4.179 -7.185 1.00 0.00 C ATOM 417 O SER A 25 -7.311 3.618 -6.953 1.00 0.00 O ATOM 418 CB SER A 25 -5.903 5.230 -4.940 1.00 0.00 C ATOM 419 OG SER A 25 -7.025 4.534 -4.426 1.00 0.00 O ATOM 0 H SER A 25 -4.300 6.002 -7.113 1.00 0.00 H new ATOM 0 HA SER A 25 -4.893 3.484 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.184 5.408 -4.140 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.215 6.206 -5.310 1.00 0.00 H new ATOM 0 HG SER A 25 -7.352 3.900 -5.097 1.00 0.00 H new ATOM 425 N LYS A 26 -5.887 4.589 -8.398 1.00 0.00 N ATOM 426 CA LYS A 26 -6.755 4.398 -9.554 1.00 0.00 C ATOM 427 C LYS A 26 -5.945 3.997 -10.783 1.00 0.00 C ATOM 428 O LYS A 26 -4.758 4.306 -10.883 1.00 0.00 O ATOM 429 CB LYS A 26 -7.541 5.678 -9.844 1.00 0.00 C ATOM 430 CG LYS A 26 -8.166 6.301 -8.607 1.00 0.00 C ATOM 431 CD LYS A 26 -9.286 5.437 -8.053 1.00 0.00 C ATOM 432 CE LYS A 26 -10.652 5.959 -8.472 1.00 0.00 C ATOM 433 NZ LYS A 26 -10.867 5.835 -9.940 1.00 0.00 N ATOM 0 H LYS A 26 -5.005 5.056 -8.607 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.454 3.594 -9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.876 6.405 -10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.327 5.456 -10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.401 6.441 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.555 7.289 -8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.164 4.412 -8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.223 5.411 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.429 5.407 -7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.747 7.004 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.885 5.753 -10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.489 6.678 -10.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.377 4.988 -10.292 1.00 0.00 H new ATOM 447 N ILE A 27 -6.595 3.308 -11.715 1.00 0.00 N ATOM 448 CA ILE A 27 -5.935 2.868 -12.938 1.00 0.00 C ATOM 449 C ILE A 27 -5.570 4.055 -13.823 1.00 0.00 C ATOM 450 O ILE A 27 -4.466 4.122 -14.364 1.00 0.00 O ATOM 451 CB ILE A 27 -6.824 1.899 -13.740 1.00 0.00 C ATOM 452 CG1 ILE A 27 -7.100 0.633 -12.925 1.00 0.00 C ATOM 453 CG2 ILE A 27 -6.165 1.549 -15.065 1.00 0.00 C ATOM 454 CD1 ILE A 27 -5.847 -0.116 -12.531 1.00 0.00 C ATOM 0 H ILE A 27 -7.577 3.043 -11.647 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.025 2.349 -12.636 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.775 2.389 -13.948 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.651 0.903 -12.024 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -7.743 -0.030 -13.505 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.805 0.864 -15.620 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.015 2.458 -15.648 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.202 1.074 -14.878 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.118 -1.001 -11.956 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.306 -0.417 -13.428 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.212 0.530 -11.924 1.00 0.00 H new ATOM 466 N SER A 28 -6.503 4.990 -13.965 1.00 0.00 N ATOM 467 CA SER A 28 -6.280 6.175 -14.786 1.00 0.00 C ATOM 468 C SER A 28 -5.042 6.934 -14.319 1.00 0.00 C ATOM 469 O SER A 28 -4.145 7.224 -15.110 1.00 0.00 O ATOM 470 CB SER A 28 -7.503 7.092 -14.738 1.00 0.00 C ATOM 471 OG SER A 28 -7.144 8.436 -15.006 1.00 0.00 O ATOM 0 H SER A 28 -7.421 4.951 -13.522 1.00 0.00 H new ATOM 0 HA SER A 28 -6.119 5.850 -15.814 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.241 6.757 -15.467 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.972 7.027 -13.756 1.00 0.00 H new ATOM 0 HG SER A 28 -7.944 9.001 -14.971 1.00 0.00 H new ATOM 477 N GLU A 29 -5.002 7.252 -13.029 1.00 0.00 N ATOM 478 CA GLU A 29 -3.874 7.978 -12.457 1.00 0.00 C ATOM 479 C GLU A 29 -2.578 7.191 -12.624 1.00 0.00 C ATOM 480 O GLU A 29 -1.501 7.770 -12.773 1.00 0.00 O ATOM 481 CB GLU A 29 -4.123 8.264 -10.974 1.00 0.00 C ATOM 482 CG GLU A 29 -2.958 8.954 -10.284 1.00 0.00 C ATOM 483 CD GLU A 29 -3.371 9.653 -9.003 1.00 0.00 C ATOM 484 OE1 GLU A 29 -4.007 10.724 -9.089 1.00 0.00 O ATOM 485 OE2 GLU A 29 -3.056 9.128 -7.914 1.00 0.00 O ATOM 0 H GLU A 29 -5.737 7.019 -12.361 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.775 8.923 -12.991 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.012 8.887 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.334 7.325 -10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.186 8.218 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.516 9.682 -10.965 1.00 0.00 H new ATOM 492 N LEU A 30 -2.690 5.867 -12.598 1.00 0.00 N ATOM 493 CA LEU A 30 -1.527 4.999 -12.747 1.00 0.00 C ATOM 494 C LEU A 30 -0.900 5.159 -14.128 1.00 0.00 C ATOM 495 O LEU A 30 0.306 5.376 -14.253 1.00 0.00 O ATOM 496 CB LEU A 30 -1.925 3.539 -12.521 1.00 0.00 C ATOM 497 CG LEU A 30 -0.783 2.522 -12.541 1.00 0.00 C ATOM 498 CD1 LEU A 30 -0.413 2.163 -13.971 1.00 0.00 C ATOM 499 CD2 LEU A 30 0.427 3.064 -11.795 1.00 0.00 C ATOM 0 H LEU A 30 -3.573 5.372 -12.475 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.790 5.289 -11.999 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.433 3.466 -11.559 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.649 3.258 -13.286 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.120 1.616 -12.037 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.401 1.438 -13.965 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.279 1.732 -14.474 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.096 3.061 -14.501 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.230 2.327 -11.820 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.765 3.985 -12.270 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.154 3.269 -10.760 1.00 0.00 H new ATOM 511 N LEU A 31 -1.727 5.052 -15.163 1.00 0.00 N ATOM 512 CA LEU A 31 -1.254 5.187 -16.536 1.00 0.00 C ATOM 513 C LEU A 31 -0.485 6.491 -16.722 1.00 0.00 C ATOM 514 O LEU A 31 0.636 6.494 -17.230 1.00 0.00 O ATOM 515 CB LEU A 31 -2.433 5.135 -17.510 1.00 0.00 C ATOM 516 CG LEU A 31 -3.336 3.906 -17.404 1.00 0.00 C ATOM 517 CD1 LEU A 31 -4.721 4.212 -17.954 1.00 0.00 C ATOM 518 CD2 LEU A 31 -2.718 2.725 -18.140 1.00 0.00 C ATOM 0 H LEU A 31 -2.727 4.872 -15.077 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.580 4.356 -16.745 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.044 6.025 -17.357 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.042 5.187 -18.526 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.435 3.642 -16.351 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.350 3.326 -17.870 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.166 5.028 -17.385 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.641 4.502 -19.002 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.374 1.859 -18.054 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.589 2.979 -19.192 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.748 2.490 -17.702 1.00 0.00 H new ATOM 530 N GLU A 32 -1.094 7.597 -16.304 1.00 0.00 N ATOM 531 CA GLU A 32 -0.464 8.906 -16.423 1.00 0.00 C ATOM 532 C GLU A 32 0.865 8.941 -15.675 1.00 0.00 C ATOM 533 O GLU A 32 1.785 9.665 -16.056 1.00 0.00 O ATOM 534 CB GLU A 32 -1.394 9.995 -15.884 1.00 0.00 C ATOM 535 CG GLU A 32 -2.529 10.350 -16.829 1.00 0.00 C ATOM 536 CD GLU A 32 -3.192 11.667 -16.477 1.00 0.00 C ATOM 537 OE1 GLU A 32 -2.476 12.593 -16.041 1.00 0.00 O ATOM 538 OE2 GLU A 32 -4.426 11.773 -16.637 1.00 0.00 O ATOM 0 H GLU A 32 -2.022 7.612 -15.881 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.271 9.093 -17.479 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.814 9.665 -14.934 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.809 10.892 -15.680 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.145 10.402 -17.848 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.275 9.555 -16.809 1.00 0.00 H new ATOM 545 N ARG A 33 0.958 8.154 -14.608 1.00 0.00 N ATOM 546 CA ARG A 33 2.173 8.096 -13.805 1.00 0.00 C ATOM 547 C ARG A 33 3.293 7.391 -14.565 1.00 0.00 C ATOM 548 O ARG A 33 4.473 7.688 -14.370 1.00 0.00 O ATOM 549 CB ARG A 33 1.903 7.371 -12.485 1.00 0.00 C ATOM 550 CG ARG A 33 3.061 7.443 -11.503 1.00 0.00 C ATOM 551 CD ARG A 33 2.570 7.636 -10.077 1.00 0.00 C ATOM 552 NE ARG A 33 2.746 9.011 -9.618 1.00 0.00 N ATOM 553 CZ ARG A 33 3.932 9.558 -9.372 1.00 0.00 C ATOM 554 NH1 ARG A 33 5.040 8.849 -9.540 1.00 0.00 N ATOM 555 NH2 ARG A 33 4.011 10.816 -8.958 1.00 0.00 N ATOM 0 H ARG A 33 0.206 7.548 -14.280 1.00 0.00 H new ATOM 0 HA ARG A 33 2.488 9.118 -13.593 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.016 7.800 -12.019 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.679 6.325 -12.694 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.650 6.528 -11.566 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.721 8.266 -11.776 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.516 7.366 -10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.110 6.961 -9.413 1.00 0.00 H new ATOM 0 HE ARG A 33 1.913 9.583 -9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.983 7.882 -9.859 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.949 9.271 -9.351 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.161 11.365 -8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.922 11.235 -8.770 1.00 0.00 H new ATOM 569 N LEU A 34 2.917 6.456 -15.430 1.00 0.00 N ATOM 570 CA LEU A 34 3.890 5.708 -16.219 1.00 0.00 C ATOM 571 C LEU A 34 4.552 6.605 -17.260 1.00 0.00 C ATOM 572 O LEU A 34 5.778 6.665 -17.354 1.00 0.00 O ATOM 573 CB LEU A 34 3.213 4.522 -16.908 1.00 0.00 C ATOM 574 CG LEU A 34 2.355 3.626 -16.013 1.00 0.00 C ATOM 575 CD1 LEU A 34 1.991 2.340 -16.738 1.00 0.00 C ATOM 576 CD2 LEU A 34 3.082 3.320 -14.712 1.00 0.00 C ATOM 0 H LEU A 34 1.946 6.197 -15.603 1.00 0.00 H new ATOM 0 HA LEU A 34 4.661 5.337 -15.543 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.586 4.905 -17.713 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.985 3.907 -17.370 1.00 0.00 H new ATOM 0 HG LEU A 34 1.434 4.158 -15.775 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.381 1.715 -16.086 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.430 2.578 -17.642 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.901 1.804 -17.007 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.457 2.682 -14.087 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.019 2.808 -14.931 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.291 4.251 -14.185 1.00 0.00 H new ATOM 588 N LYS A 35 3.733 7.303 -18.039 1.00 0.00 N ATOM 589 CA LYS A 35 4.237 8.200 -19.072 1.00 0.00 C ATOM 590 C LYS A 35 5.120 9.286 -18.465 1.00 0.00 C ATOM 591 O LYS A 35 6.128 9.681 -19.052 1.00 0.00 O ATOM 592 CB LYS A 35 3.074 8.840 -19.833 1.00 0.00 C ATOM 593 CG LYS A 35 3.502 9.956 -20.771 1.00 0.00 C ATOM 594 CD LYS A 35 2.535 10.108 -21.934 1.00 0.00 C ATOM 595 CE LYS A 35 2.846 11.347 -22.758 1.00 0.00 C ATOM 596 NZ LYS A 35 1.849 11.555 -23.845 1.00 0.00 N ATOM 0 H LYS A 35 2.716 7.265 -17.974 1.00 0.00 H new ATOM 0 HA LYS A 35 4.838 7.613 -19.766 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.560 8.070 -20.408 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.355 9.235 -19.116 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.560 10.894 -20.219 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.502 9.749 -21.152 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.587 9.224 -22.570 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.515 10.168 -21.555 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.862 12.221 -22.107 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.842 11.254 -23.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.317 11.985 -24.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.438 10.640 -24.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.094 12.186 -23.508 1.00 0.00 H new ATOM 610 N VAL A 36 4.737 9.764 -17.285 1.00 0.00 N ATOM 611 CA VAL A 36 5.496 10.802 -16.597 1.00 0.00 C ATOM 612 C VAL A 36 6.763 10.232 -15.970 1.00 0.00 C ATOM 613 O VAL A 36 7.869 10.686 -16.262 1.00 0.00 O ATOM 614 CB VAL A 36 4.653 11.479 -15.501 1.00 0.00 C ATOM 615 CG1 VAL A 36 5.480 12.516 -14.755 1.00 0.00 C ATOM 616 CG2 VAL A 36 3.406 12.111 -16.101 1.00 0.00 C ATOM 0 H VAL A 36 3.905 9.449 -16.786 1.00 0.00 H new ATOM 0 HA VAL A 36 5.768 11.545 -17.346 1.00 0.00 H new ATOM 0 HB VAL A 36 4.339 10.718 -14.787 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.868 12.984 -13.984 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.339 12.031 -14.291 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.827 13.277 -15.454 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.822 12.585 -15.312 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.696 12.860 -16.837 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.805 11.341 -16.585 1.00 0.00 H new ATOM 626 N GLU A 37 6.593 9.235 -15.108 1.00 0.00 N ATOM 627 CA GLU A 37 7.725 8.603 -14.439 1.00 0.00 C ATOM 628 C GLU A 37 8.730 8.071 -15.456 1.00 0.00 C ATOM 629 O GLU A 37 9.925 8.355 -15.371 1.00 0.00 O ATOM 630 CB GLU A 37 7.242 7.464 -13.539 1.00 0.00 C ATOM 631 CG GLU A 37 8.277 7.013 -12.521 1.00 0.00 C ATOM 632 CD GLU A 37 9.162 5.898 -13.043 1.00 0.00 C ATOM 633 OE1 GLU A 37 10.162 6.205 -13.725 1.00 0.00 O ATOM 634 OE2 GLU A 37 8.855 4.719 -12.771 1.00 0.00 O ATOM 0 H GLU A 37 5.684 8.847 -14.856 1.00 0.00 H new ATOM 0 HA GLU A 37 8.219 9.357 -13.826 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.343 7.784 -13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.962 6.614 -14.161 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.898 7.863 -12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.769 6.676 -11.617 1.00 0.00 H new ATOM 641 N TYR A 38 8.237 7.298 -16.418 1.00 0.00 N ATOM 642 CA TYR A 38 9.092 6.723 -17.450 1.00 0.00 C ATOM 643 C TYR A 38 9.479 7.775 -18.484 1.00 0.00 C ATOM 644 O TYR A 38 10.343 7.543 -19.330 1.00 0.00 O ATOM 645 CB TYR A 38 8.383 5.554 -18.136 1.00 0.00 C ATOM 646 CG TYR A 38 7.920 4.480 -17.177 1.00 0.00 C ATOM 647 CD1 TYR A 38 8.755 4.014 -16.169 1.00 0.00 C ATOM 648 CD2 TYR A 38 6.647 3.932 -17.280 1.00 0.00 C ATOM 649 CE1 TYR A 38 8.336 3.033 -15.292 1.00 0.00 C ATOM 650 CE2 TYR A 38 6.219 2.951 -16.406 1.00 0.00 C ATOM 651 CZ TYR A 38 7.067 2.505 -15.414 1.00 0.00 C ATOM 652 OH TYR A 38 6.646 1.528 -14.541 1.00 0.00 O ATOM 0 H TYR A 38 7.250 7.055 -16.504 1.00 0.00 H new ATOM 0 HA TYR A 38 10.001 6.358 -16.972 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.522 5.934 -18.686 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.058 5.110 -18.868 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.748 4.426 -16.070 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.981 4.279 -18.056 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.998 2.681 -14.515 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.226 2.536 -16.499 1.00 0.00 H new ATOM 0 HH TYR A 38 6.699 0.653 -14.979 1.00 0.00 H new ATOM 662 N GLY A 39 8.834 8.935 -18.410 1.00 0.00 N ATOM 663 CA GLY A 39 9.124 10.007 -19.344 1.00 0.00 C ATOM 664 C GLY A 39 8.544 9.749 -20.721 1.00 0.00 C ATOM 665 O GLY A 39 7.737 8.837 -20.901 1.00 0.00 O ATOM 0 H GLY A 39 8.115 9.152 -17.719 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.724 10.943 -18.954 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.204 10.132 -19.425 1.00 0.00 H new ATOM 669 N SER A 40 8.955 10.554 -21.695 1.00 0.00 N ATOM 670 CA SER A 40 8.467 10.412 -23.062 1.00 0.00 C ATOM 671 C SER A 40 9.018 9.144 -23.706 1.00 0.00 C ATOM 672 O SER A 40 8.377 8.544 -24.568 1.00 0.00 O ATOM 673 CB SER A 40 8.858 11.634 -23.895 1.00 0.00 C ATOM 674 OG SER A 40 8.523 12.837 -23.226 1.00 0.00 O ATOM 0 H SER A 40 9.625 11.312 -21.563 1.00 0.00 H new ATOM 0 HA SER A 40 7.380 10.338 -23.028 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.929 11.613 -24.097 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.351 11.598 -24.859 1.00 0.00 H new ATOM 0 HG SER A 40 8.785 13.603 -23.779 1.00 0.00 H new ATOM 680 N GLU A 41 10.213 8.743 -23.281 1.00 0.00 N ATOM 681 CA GLU A 41 10.852 7.547 -23.818 1.00 0.00 C ATOM 682 C GLU A 41 9.886 6.366 -23.812 1.00 0.00 C ATOM 683 O GLU A 41 9.940 5.501 -24.688 1.00 0.00 O ATOM 684 CB GLU A 41 12.102 7.202 -23.006 1.00 0.00 C ATOM 685 CG GLU A 41 12.953 6.111 -23.633 1.00 0.00 C ATOM 686 CD GLU A 41 14.418 6.226 -23.260 1.00 0.00 C ATOM 687 OE1 GLU A 41 15.003 7.306 -23.486 1.00 0.00 O ATOM 688 OE2 GLU A 41 14.979 5.238 -22.742 1.00 0.00 O ATOM 0 H GLU A 41 10.757 9.228 -22.568 1.00 0.00 H new ATOM 0 HA GLU A 41 11.142 7.752 -24.848 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.708 8.101 -22.888 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.801 6.887 -22.007 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.578 5.137 -23.319 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.854 6.156 -24.718 1.00 0.00 H new ATOM 695 N PHE A 42 9.004 6.335 -22.819 1.00 0.00 N ATOM 696 CA PHE A 42 8.027 5.259 -22.697 1.00 0.00 C ATOM 697 C PHE A 42 6.904 5.426 -23.716 1.00 0.00 C ATOM 698 O PHE A 42 6.506 4.470 -24.383 1.00 0.00 O ATOM 699 CB PHE A 42 7.446 5.226 -21.282 1.00 0.00 C ATOM 700 CG PHE A 42 6.186 4.416 -21.169 1.00 0.00 C ATOM 701 CD1 PHE A 42 6.244 3.045 -20.979 1.00 0.00 C ATOM 702 CD2 PHE A 42 4.945 5.025 -21.255 1.00 0.00 C ATOM 703 CE1 PHE A 42 5.086 2.296 -20.875 1.00 0.00 C ATOM 704 CE2 PHE A 42 3.785 4.282 -21.151 1.00 0.00 C ATOM 705 CZ PHE A 42 3.855 2.916 -20.962 1.00 0.00 C ATOM 0 H PHE A 42 8.945 7.043 -22.087 1.00 0.00 H new ATOM 0 HA PHE A 42 8.536 4.316 -22.895 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.193 4.818 -20.601 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.242 6.247 -20.958 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.204 2.556 -20.911 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.883 6.093 -21.405 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.144 1.228 -20.726 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.824 4.769 -21.218 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.949 2.334 -20.882 1.00 0.00 H new ATOM 715 N THR A 43 6.395 6.649 -23.832 1.00 0.00 N ATOM 716 CA THR A 43 5.316 6.943 -24.767 1.00 0.00 C ATOM 717 C THR A 43 5.767 6.736 -26.208 1.00 0.00 C ATOM 718 O THR A 43 5.019 6.216 -27.036 1.00 0.00 O ATOM 719 CB THR A 43 4.808 8.388 -24.602 1.00 0.00 C ATOM 720 OG1 THR A 43 4.793 8.747 -23.216 1.00 0.00 O ATOM 721 CG2 THR A 43 3.412 8.540 -25.186 1.00 0.00 C ATOM 0 H THR A 43 6.713 7.452 -23.290 1.00 0.00 H new ATOM 0 HA THR A 43 4.504 6.252 -24.540 1.00 0.00 H new ATOM 0 HB THR A 43 5.484 9.052 -25.141 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.359 8.037 -22.699 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.074 9.568 -25.058 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.433 8.294 -26.248 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.727 7.866 -24.671 1.00 0.00 H new ATOM 729 N LYS A 44 6.996 7.146 -26.503 1.00 0.00 N ATOM 730 CA LYS A 44 7.549 7.005 -27.845 1.00 0.00 C ATOM 731 C LYS A 44 7.886 5.547 -28.143 1.00 0.00 C ATOM 732 O LYS A 44 7.764 5.093 -29.281 1.00 0.00 O ATOM 733 CB LYS A 44 8.802 7.870 -27.997 1.00 0.00 C ATOM 734 CG LYS A 44 8.500 9.338 -28.246 1.00 0.00 C ATOM 735 CD LYS A 44 8.340 9.630 -29.729 1.00 0.00 C ATOM 736 CE LYS A 44 6.913 9.384 -30.195 1.00 0.00 C ATOM 737 NZ LYS A 44 6.594 10.149 -31.432 1.00 0.00 N ATOM 0 H LYS A 44 7.629 7.579 -25.830 1.00 0.00 H new ATOM 0 HA LYS A 44 6.796 7.340 -28.558 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.407 7.780 -27.095 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.401 7.486 -28.823 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.588 9.617 -27.719 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.304 9.950 -27.838 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.616 10.665 -29.929 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.024 9.002 -30.300 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.770 8.319 -30.379 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.219 9.667 -29.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.613 9.954 -31.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.706 11.167 -31.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.240 9.861 -32.195 1.00 0.00 H new ATOM 751 N GLN A 45 8.310 4.820 -27.115 1.00 0.00 N ATOM 752 CA GLN A 45 8.664 3.414 -27.268 1.00 0.00 C ATOM 753 C GLN A 45 7.416 2.538 -27.292 1.00 0.00 C ATOM 754 O GLN A 45 7.449 1.407 -27.777 1.00 0.00 O ATOM 755 CB GLN A 45 9.590 2.973 -26.133 1.00 0.00 C ATOM 756 CG GLN A 45 11.038 3.392 -26.331 1.00 0.00 C ATOM 757 CD GLN A 45 11.782 2.484 -27.291 1.00 0.00 C ATOM 758 OE1 GLN A 45 11.586 1.269 -27.293 1.00 0.00 O ATOM 759 NE2 GLN A 45 12.643 3.072 -28.114 1.00 0.00 N ATOM 0 H GLN A 45 8.417 5.181 -26.167 1.00 0.00 H new ATOM 0 HA GLN A 45 9.185 3.298 -28.218 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.225 3.390 -25.195 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.544 1.888 -26.039 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.068 4.415 -26.707 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.548 3.391 -25.367 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.774 4.083 -28.078 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.173 2.513 -28.782 1.00 0.00 H new ATOM 768 N MET A 46 6.317 3.068 -26.765 1.00 0.00 N ATOM 769 CA MET A 46 5.058 2.334 -26.727 1.00 0.00 C ATOM 770 C MET A 46 4.180 2.697 -27.920 1.00 0.00 C ATOM 771 O MET A 46 3.439 1.860 -28.436 1.00 0.00 O ATOM 772 CB MET A 46 4.312 2.625 -25.423 1.00 0.00 C ATOM 773 CG MET A 46 4.970 2.013 -24.197 1.00 0.00 C ATOM 774 SD MET A 46 4.112 0.539 -23.611 1.00 0.00 S ATOM 775 CE MET A 46 3.963 -0.393 -25.134 1.00 0.00 C ATOM 0 H MET A 46 6.273 4.003 -26.359 1.00 0.00 H new ATOM 0 HA MET A 46 5.286 1.269 -26.777 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.242 3.704 -25.287 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.293 2.247 -25.505 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.003 1.758 -24.433 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.000 2.753 -23.398 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.208 -1.170 -25.013 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.669 0.276 -25.943 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.922 -0.853 -25.374 1.00 0.00 H new ATOM 785 N TYR A 47 4.269 3.950 -28.354 1.00 0.00 N ATOM 786 CA TYR A 47 3.481 4.424 -29.485 1.00 0.00 C ATOM 787 C TYR A 47 3.986 3.822 -30.792 1.00 0.00 C ATOM 788 O TYR A 47 4.767 4.442 -31.514 1.00 0.00 O ATOM 789 CB TYR A 47 3.529 5.951 -29.563 1.00 0.00 C ATOM 790 CG TYR A 47 2.478 6.634 -28.717 1.00 0.00 C ATOM 791 CD1 TYR A 47 2.156 6.155 -27.453 1.00 0.00 C ATOM 792 CD2 TYR A 47 1.807 7.758 -29.182 1.00 0.00 C ATOM 793 CE1 TYR A 47 1.196 6.776 -26.678 1.00 0.00 C ATOM 794 CE2 TYR A 47 0.846 8.386 -28.413 1.00 0.00 C ATOM 795 CZ TYR A 47 0.544 7.890 -27.162 1.00 0.00 C ATOM 796 OH TYR A 47 -0.413 8.512 -26.392 1.00 0.00 O ATOM 0 H TYR A 47 4.879 4.655 -27.940 1.00 0.00 H new ATOM 0 HA TYR A 47 2.449 4.106 -29.334 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.515 6.292 -29.247 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.403 6.258 -30.601 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.665 5.283 -27.070 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.041 8.148 -30.162 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.957 6.391 -25.698 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.335 9.260 -28.789 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.775 9.282 -26.879 1.00 0.00 H new ATOM 806 N ASP A 48 3.534 2.608 -31.090 1.00 0.00 N ATOM 807 CA ASP A 48 3.938 1.920 -32.311 1.00 0.00 C ATOM 808 C ASP A 48 2.730 1.625 -33.194 1.00 0.00 C ATOM 809 O ASP A 48 2.105 0.572 -33.076 1.00 0.00 O ATOM 810 CB ASP A 48 4.667 0.619 -31.971 1.00 0.00 C ATOM 811 CG ASP A 48 5.401 0.039 -33.164 1.00 0.00 C ATOM 812 OD1 ASP A 48 6.467 0.580 -33.526 1.00 0.00 O ATOM 813 OD2 ASP A 48 4.911 -0.958 -33.735 1.00 0.00 O ATOM 0 H ASP A 48 2.888 2.081 -30.503 1.00 0.00 H new ATOM 0 HA ASP A 48 4.615 2.574 -32.860 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.378 0.804 -31.165 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.948 -0.111 -31.600 1.00 0.00 H new ATOM 818 N GLY A 49 2.405 2.564 -34.078 1.00 0.00 N ATOM 819 CA GLY A 49 1.272 2.387 -34.966 1.00 0.00 C ATOM 820 C GLY A 49 0.279 3.528 -34.875 1.00 0.00 C ATOM 821 O GLY A 49 0.046 4.237 -35.853 1.00 0.00 O ATOM 0 H GLY A 49 2.907 3.444 -34.194 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.629 2.301 -35.992 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.768 1.451 -34.725 1.00 0.00 H new ATOM 825 N ASN A 50 -0.310 3.706 -33.697 1.00 0.00 N ATOM 826 CA ASN A 50 -1.285 4.768 -33.482 1.00 0.00 C ATOM 827 C ASN A 50 -1.154 5.352 -32.078 1.00 0.00 C ATOM 828 O ASN A 50 -0.782 6.512 -31.910 1.00 0.00 O ATOM 829 CB ASN A 50 -2.704 4.237 -33.695 1.00 0.00 C ATOM 830 CG ASN A 50 -3.678 5.331 -34.088 1.00 0.00 C ATOM 831 OD1 ASN A 50 -3.681 6.414 -33.504 1.00 0.00 O ATOM 832 ND2 ASN A 50 -4.511 5.051 -35.084 1.00 0.00 N ATOM 0 H ASN A 50 -0.129 3.128 -32.876 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.088 5.559 -34.205 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.690 3.471 -34.471 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.051 3.757 -32.780 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.189 5.748 -35.393 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.473 4.139 -35.540 1.00 0.00 H new ATOM 839 N ASN A 51 -1.463 4.538 -31.074 1.00 0.00 N ATOM 840 CA ASN A 51 -1.380 4.973 -29.684 1.00 0.00 C ATOM 841 C ASN A 51 -1.114 3.789 -28.759 1.00 0.00 C ATOM 842 O ASN A 51 -1.303 2.633 -29.141 1.00 0.00 O ATOM 843 CB ASN A 51 -2.673 5.678 -29.270 1.00 0.00 C ATOM 844 CG ASN A 51 -2.778 7.077 -29.845 1.00 0.00 C ATOM 845 OD1 ASN A 51 -3.897 7.366 -30.498 1.00 0.00 O flip ATOM 846 ND2 ASN A 51 -1.863 7.889 -29.703 1.00 0.00 N flip ATOM 0 H ASN A 51 -1.773 3.574 -31.197 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.549 5.673 -29.597 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.527 5.087 -29.600 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.723 5.730 -28.182 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.020 7.624 -29.193 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.948 8.827 -30.095 1.00 0.00 H new ATOM 853 N LEU A 52 -0.675 4.085 -27.540 1.00 0.00 N ATOM 854 CA LEU A 52 -0.383 3.046 -26.559 1.00 0.00 C ATOM 855 C LEU A 52 -1.652 2.615 -25.829 1.00 0.00 C ATOM 856 O LEU A 52 -2.099 1.475 -25.960 1.00 0.00 O ATOM 857 CB LEU A 52 0.654 3.545 -25.551 1.00 0.00 C ATOM 858 CG LEU A 52 1.012 2.578 -24.422 1.00 0.00 C ATOM 859 CD1 LEU A 52 0.046 2.735 -23.258 1.00 0.00 C ATOM 860 CD2 LEU A 52 1.011 1.143 -24.928 1.00 0.00 C ATOM 0 H LEU A 52 -0.514 5.036 -27.208 1.00 0.00 H new ATOM 0 HA LEU A 52 0.021 2.183 -27.089 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.567 3.794 -26.092 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.284 4.469 -25.107 1.00 0.00 H new ATOM 0 HG LEU A 52 2.015 2.817 -24.070 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.317 2.039 -22.464 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.096 3.756 -22.878 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.968 2.523 -23.596 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.268 0.469 -24.111 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.021 0.892 -25.308 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.744 1.039 -25.728 1.00 0.00 H new ATOM 872 N PHE A 53 -2.228 3.534 -25.062 1.00 0.00 N ATOM 873 CA PHE A 53 -3.446 3.250 -24.312 1.00 0.00 C ATOM 874 C PHE A 53 -4.520 2.660 -25.222 1.00 0.00 C ATOM 875 O PHE A 53 -5.367 1.884 -24.780 1.00 0.00 O ATOM 876 CB PHE A 53 -3.969 4.524 -23.646 1.00 0.00 C ATOM 877 CG PHE A 53 -2.921 5.268 -22.869 1.00 0.00 C ATOM 878 CD1 PHE A 53 -2.335 4.700 -21.750 1.00 0.00 C ATOM 879 CD2 PHE A 53 -2.522 6.537 -23.258 1.00 0.00 C ATOM 880 CE1 PHE A 53 -1.370 5.382 -21.033 1.00 0.00 C ATOM 881 CE2 PHE A 53 -1.557 7.223 -22.546 1.00 0.00 C ATOM 882 CZ PHE A 53 -0.981 6.646 -21.431 1.00 0.00 C ATOM 0 H PHE A 53 -1.871 4.482 -24.943 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.206 2.518 -23.541 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.378 5.183 -24.412 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.790 4.264 -22.977 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.636 3.712 -21.434 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.970 6.995 -24.127 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.921 4.927 -20.163 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.253 8.210 -22.861 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.228 7.182 -20.872 1.00 0.00 H new ATOM 892 N LYS A 54 -4.478 3.035 -26.496 1.00 0.00 N ATOM 893 CA LYS A 54 -5.445 2.545 -27.471 1.00 0.00 C ATOM 894 C LYS A 54 -5.306 1.038 -27.665 1.00 0.00 C ATOM 895 O LYS A 54 -4.226 0.542 -27.985 1.00 0.00 O ATOM 896 CB LYS A 54 -5.259 3.262 -28.810 1.00 0.00 C ATOM 897 CG LYS A 54 -6.194 2.767 -29.900 1.00 0.00 C ATOM 898 CD LYS A 54 -6.580 3.885 -30.853 1.00 0.00 C ATOM 899 CE LYS A 54 -5.519 4.096 -31.923 1.00 0.00 C ATOM 900 NZ LYS A 54 -5.632 3.097 -33.022 1.00 0.00 N ATOM 0 H LYS A 54 -3.784 3.677 -26.878 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.445 2.754 -27.090 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.417 4.331 -28.665 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.228 3.134 -29.141 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.712 1.963 -30.457 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.092 2.347 -29.447 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.533 3.649 -31.326 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.722 4.809 -30.293 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.613 5.101 -32.335 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.529 4.028 -31.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.692 2.705 -33.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.269 2.329 -32.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.014 3.558 -33.872 1.00 0.00 H new ATOM 914 N ASN A 55 -6.405 0.317 -27.470 1.00 0.00 N ATOM 915 CA ASN A 55 -6.404 -1.134 -27.625 1.00 0.00 C ATOM 916 C ASN A 55 -5.470 -1.788 -26.613 1.00 0.00 C ATOM 917 O ASN A 55 -5.080 -2.946 -26.769 1.00 0.00 O ATOM 918 CB ASN A 55 -5.984 -1.515 -29.046 1.00 0.00 C ATOM 919 CG ASN A 55 -7.173 -1.746 -29.958 1.00 0.00 C ATOM 920 OD1 ASN A 55 -8.319 -1.515 -29.573 1.00 0.00 O ATOM 921 ND2 ASN A 55 -6.905 -2.203 -31.176 1.00 0.00 N ATOM 0 H ASN A 55 -7.307 0.713 -27.205 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.416 -1.495 -27.444 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.359 -0.724 -29.461 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.375 -2.418 -29.012 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.665 -2.376 -31.834 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.940 -2.381 -31.453 1.00 0.00 H new ATOM 928 N VAL A 56 -5.113 -1.040 -25.574 1.00 0.00 N ATOM 929 CA VAL A 56 -4.226 -1.547 -24.534 1.00 0.00 C ATOM 930 C VAL A 56 -4.972 -2.468 -23.576 1.00 0.00 C ATOM 931 O VAL A 56 -6.182 -2.337 -23.388 1.00 0.00 O ATOM 932 CB VAL A 56 -3.587 -0.399 -23.732 1.00 0.00 C ATOM 933 CG1 VAL A 56 -4.564 0.138 -22.697 1.00 0.00 C ATOM 934 CG2 VAL A 56 -2.298 -0.864 -23.070 1.00 0.00 C ATOM 0 H VAL A 56 -5.425 -0.080 -25.430 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.440 -2.110 -25.036 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.343 0.410 -24.421 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.095 0.949 -22.140 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.457 0.512 -23.199 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.842 -0.661 -22.010 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.860 -0.040 -22.507 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.514 -1.691 -22.393 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.595 -1.195 -23.835 1.00 0.00 H new ATOM 944 N ILE A 57 -4.243 -3.401 -22.972 1.00 0.00 N ATOM 945 CA ILE A 57 -4.836 -4.343 -22.031 1.00 0.00 C ATOM 946 C ILE A 57 -4.204 -4.212 -20.649 1.00 0.00 C ATOM 947 O ILE A 57 -3.035 -4.548 -20.456 1.00 0.00 O ATOM 948 CB ILE A 57 -4.682 -5.796 -22.517 1.00 0.00 C ATOM 949 CG1 ILE A 57 -5.157 -6.771 -21.438 1.00 0.00 C ATOM 950 CG2 ILE A 57 -3.236 -6.078 -22.894 1.00 0.00 C ATOM 951 CD1 ILE A 57 -5.693 -8.073 -21.993 1.00 0.00 C ATOM 0 H ILE A 57 -3.241 -3.524 -23.118 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.897 -4.100 -21.967 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.301 -5.935 -23.403 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.328 -6.987 -20.764 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.935 -6.291 -20.843 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.143 -7.109 -23.235 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.930 -5.402 -23.693 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.597 -5.925 -22.024 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.011 -8.715 -21.172 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.543 -7.869 -22.644 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.911 -8.574 -22.564 1.00 0.00 H new ATOM 963 N ILE A 58 -4.985 -3.723 -19.692 1.00 0.00 N ATOM 964 CA ILE A 58 -4.503 -3.551 -18.327 1.00 0.00 C ATOM 965 C ILE A 58 -5.361 -4.331 -17.338 1.00 0.00 C ATOM 966 O ILE A 58 -6.590 -4.268 -17.381 1.00 0.00 O ATOM 967 CB ILE A 58 -4.490 -2.066 -17.918 1.00 0.00 C ATOM 968 CG1 ILE A 58 -5.820 -1.403 -18.281 1.00 0.00 C ATOM 969 CG2 ILE A 58 -3.331 -1.342 -18.587 1.00 0.00 C ATOM 970 CD1 ILE A 58 -5.843 -0.818 -19.676 1.00 0.00 C ATOM 0 H ILE A 58 -5.954 -3.439 -19.836 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.484 -3.936 -18.302 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.357 -2.003 -16.838 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.620 -2.138 -18.191 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.031 -0.613 -17.561 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.336 -0.294 -18.288 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.391 -1.802 -18.283 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.435 -1.411 -19.670 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.816 -0.365 -19.864 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.066 -0.059 -19.765 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.664 -1.608 -20.405 1.00 0.00 H new ATOM 982 N LEU A 59 -4.706 -5.066 -16.446 1.00 0.00 N ATOM 983 CA LEU A 59 -5.408 -5.859 -15.443 1.00 0.00 C ATOM 984 C LEU A 59 -5.250 -5.245 -14.055 1.00 0.00 C ATOM 985 O LEU A 59 -4.191 -4.719 -13.715 1.00 0.00 O ATOM 986 CB LEU A 59 -4.884 -7.295 -15.441 1.00 0.00 C ATOM 987 CG LEU A 59 -5.275 -8.154 -16.644 1.00 0.00 C ATOM 988 CD1 LEU A 59 -4.209 -9.204 -16.919 1.00 0.00 C ATOM 989 CD2 LEU A 59 -6.627 -8.812 -16.413 1.00 0.00 C ATOM 0 H LEU A 59 -3.689 -5.129 -16.397 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.468 -5.867 -15.698 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.796 -7.263 -15.381 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.239 -7.789 -14.537 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.353 -7.507 -17.518 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.504 -9.806 -17.778 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.259 -8.712 -17.130 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.098 -9.847 -16.046 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.889 -9.419 -17.279 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.577 -9.446 -15.528 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.386 -8.043 -16.266 1.00 0.00 H new ATOM 1001 N VAL A 60 -6.310 -5.319 -13.257 1.00 0.00 N ATOM 1002 CA VAL A 60 -6.288 -4.775 -11.904 1.00 0.00 C ATOM 1003 C VAL A 60 -6.578 -5.857 -10.871 1.00 0.00 C ATOM 1004 O VAL A 60 -7.504 -6.651 -11.031 1.00 0.00 O ATOM 1005 CB VAL A 60 -7.313 -3.637 -11.741 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -8.730 -4.169 -11.893 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -7.135 -2.949 -10.396 1.00 0.00 C ATOM 0 H VAL A 60 -7.195 -5.750 -13.524 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.286 -4.379 -11.738 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.141 -2.901 -12.526 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.440 -3.351 -11.775 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.848 -4.612 -12.882 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.918 -4.926 -11.131 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.867 -2.148 -10.298 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.280 -3.674 -9.595 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.130 -2.532 -10.331 1.00 0.00 H new ATOM 1017 N ASN A 61 -5.779 -5.883 -9.809 1.00 0.00 N ATOM 1018 CA ASN A 61 -5.949 -6.869 -8.748 1.00 0.00 C ATOM 1019 C ASN A 61 -6.282 -8.241 -9.328 1.00 0.00 C ATOM 1020 O ASN A 61 -7.124 -8.963 -8.798 1.00 0.00 O ATOM 1021 CB ASN A 61 -7.054 -6.428 -7.787 1.00 0.00 C ATOM 1022 CG ASN A 61 -8.349 -6.099 -8.505 1.00 0.00 C ATOM 1023 OD1 ASN A 61 -8.622 -4.940 -8.815 1.00 0.00 O ATOM 1024 ND2 ASN A 61 -9.153 -7.122 -8.773 1.00 0.00 N ATOM 0 H ASN A 61 -5.008 -5.233 -9.660 1.00 0.00 H new ATOM 0 HA ASN A 61 -5.009 -6.944 -8.201 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.236 -7.219 -7.060 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.719 -5.553 -7.229 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.038 -6.963 -9.255 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.885 -8.067 -8.497 1.00 0.00 H new ATOM 1031 N GLY A 62 -5.613 -8.593 -10.422 1.00 0.00 N ATOM 1032 CA GLY A 62 -5.851 -9.876 -11.056 1.00 0.00 C ATOM 1033 C GLY A 62 -7.239 -9.979 -11.655 1.00 0.00 C ATOM 1034 O GLY A 62 -8.001 -10.886 -11.322 1.00 0.00 O ATOM 0 H GLY A 62 -4.911 -8.012 -10.880 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.109 -10.034 -11.838 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.716 -10.671 -10.322 1.00 0.00 H new ATOM 1038 N ASN A 63 -7.571 -9.044 -12.540 1.00 0.00 N ATOM 1039 CA ASN A 63 -8.879 -9.032 -13.185 1.00 0.00 C ATOM 1040 C ASN A 63 -8.996 -7.859 -14.154 1.00 0.00 C ATOM 1041 O ASN A 63 -8.604 -6.737 -13.838 1.00 0.00 O ATOM 1042 CB ASN A 63 -9.988 -8.952 -12.134 1.00 0.00 C ATOM 1043 CG ASN A 63 -10.775 -10.243 -12.025 1.00 0.00 C ATOM 1044 OD1 ASN A 63 -10.859 -10.844 -10.953 1.00 0.00 O ATOM 1045 ND2 ASN A 63 -11.357 -10.677 -13.137 1.00 0.00 N ATOM 0 H ASN A 63 -6.952 -8.285 -12.827 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.988 -9.959 -13.748 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.550 -8.714 -11.165 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.666 -8.137 -12.386 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -11.900 -11.540 -13.125 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.261 -10.147 -14.003 1.00 0.00 H new ATOM 1052 N ASN A 64 -9.540 -8.129 -15.337 1.00 0.00 N ATOM 1053 CA ASN A 64 -9.709 -7.097 -16.353 1.00 0.00 C ATOM 1054 C ASN A 64 -10.555 -5.943 -15.822 1.00 0.00 C ATOM 1055 O ASN A 64 -11.585 -6.159 -15.183 1.00 0.00 O ATOM 1056 CB ASN A 64 -10.361 -7.687 -17.605 1.00 0.00 C ATOM 1057 CG ASN A 64 -9.339 -8.142 -18.629 1.00 0.00 C ATOM 1058 OD1 ASN A 64 -8.858 -7.349 -19.438 1.00 0.00 O ATOM 1059 ND2 ASN A 64 -9.003 -9.427 -18.598 1.00 0.00 N ATOM 0 H ASN A 64 -9.871 -9.053 -15.615 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.722 -6.712 -16.611 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.988 -8.532 -17.321 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.016 -6.942 -18.056 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.321 -9.792 -19.263 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.427 -10.049 -17.910 1.00 0.00 H new ATOM 1066 N ILE A 65 -10.112 -4.720 -16.090 1.00 0.00 N ATOM 1067 CA ILE A 65 -10.829 -3.533 -15.640 1.00 0.00 C ATOM 1068 C ILE A 65 -12.069 -3.283 -16.493 1.00 0.00 C ATOM 1069 O ILE A 65 -13.063 -2.735 -16.017 1.00 0.00 O ATOM 1070 CB ILE A 65 -9.930 -2.283 -15.683 1.00 0.00 C ATOM 1071 CG1 ILE A 65 -9.598 -1.916 -17.131 1.00 0.00 C ATOM 1072 CG2 ILE A 65 -8.657 -2.519 -14.885 1.00 0.00 C ATOM 1073 CD1 ILE A 65 -8.755 -0.667 -17.259 1.00 0.00 C ATOM 0 H ILE A 65 -9.260 -4.525 -16.616 1.00 0.00 H new ATOM 0 HA ILE A 65 -11.131 -3.719 -14.609 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.469 -1.450 -15.232 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.072 -2.749 -17.597 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.527 -1.776 -17.684 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.032 -1.627 -14.925 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.913 -2.737 -13.848 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.113 -3.363 -15.309 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -8.558 -0.467 -18.312 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -9.288 0.178 -16.823 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.810 -0.810 -16.734 1.00 0.00 H new ATOM 1085 N THR A 66 -12.003 -3.691 -17.756 1.00 0.00 N ATOM 1086 CA THR A 66 -13.120 -3.513 -18.676 1.00 0.00 C ATOM 1087 C THR A 66 -14.393 -4.146 -18.125 1.00 0.00 C ATOM 1088 O THR A 66 -15.501 -3.729 -18.461 1.00 0.00 O ATOM 1089 CB THR A 66 -12.814 -4.123 -20.057 1.00 0.00 C ATOM 1090 OG1 THR A 66 -12.752 -5.550 -19.960 1.00 0.00 O ATOM 1091 CG2 THR A 66 -11.498 -3.590 -20.604 1.00 0.00 C ATOM 0 H THR A 66 -11.188 -4.147 -18.166 1.00 0.00 H new ATOM 0 HA THR A 66 -13.269 -2.439 -18.786 1.00 0.00 H new ATOM 0 HB THR A 66 -13.615 -3.840 -20.740 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.559 -5.930 -20.843 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.303 -4.035 -21.580 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.558 -2.506 -20.705 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.689 -3.847 -19.920 1.00 0.00 H new ATOM 1099 N SER A 67 -14.226 -5.155 -17.275 1.00 0.00 N ATOM 1100 CA SER A 67 -15.363 -5.848 -16.679 1.00 0.00 C ATOM 1101 C SER A 67 -16.023 -4.986 -15.607 1.00 0.00 C ATOM 1102 O SER A 67 -17.065 -5.346 -15.061 1.00 0.00 O ATOM 1103 CB SER A 67 -14.915 -7.180 -16.074 1.00 0.00 C ATOM 1104 OG SER A 67 -15.986 -7.821 -15.403 1.00 0.00 O ATOM 0 H SER A 67 -13.315 -5.510 -16.984 1.00 0.00 H new ATOM 0 HA SER A 67 -16.093 -6.041 -17.465 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.533 -7.830 -16.861 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.095 -7.009 -15.376 1.00 0.00 H new ATOM 0 HG SER A 67 -16.681 -7.163 -15.192 1.00 0.00 H new ATOM 1110 N MET A 68 -15.408 -3.845 -15.313 1.00 0.00 N ATOM 1111 CA MET A 68 -15.937 -2.930 -14.307 1.00 0.00 C ATOM 1112 C MET A 68 -15.923 -1.493 -14.819 1.00 0.00 C ATOM 1113 O MET A 68 -16.942 -0.976 -15.277 1.00 0.00 O ATOM 1114 CB MET A 68 -15.122 -3.032 -13.016 1.00 0.00 C ATOM 1115 CG MET A 68 -15.467 -1.961 -11.995 1.00 0.00 C ATOM 1116 SD MET A 68 -14.996 -2.424 -10.317 1.00 0.00 S ATOM 1117 CE MET A 68 -16.605 -2.691 -9.576 1.00 0.00 C ATOM 0 H MET A 68 -14.544 -3.532 -15.756 1.00 0.00 H new ATOM 0 HA MET A 68 -16.969 -3.213 -14.100 1.00 0.00 H new ATOM 0 HB2 MET A 68 -15.284 -4.013 -12.570 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.062 -2.963 -13.259 1.00 0.00 H new ATOM 0 HG2 MET A 68 -14.966 -1.032 -12.266 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.539 -1.766 -12.027 1.00 0.00 H new ATOM 0 HE1 MET A 68 -16.481 -2.984 -8.534 1.00 0.00 H new ATOM 0 HE2 MET A 68 -17.186 -1.770 -9.627 1.00 0.00 H new ATOM 0 HE3 MET A 68 -17.128 -3.481 -10.116 1.00 0.00 H new ATOM 1127 N LYS A 69 -14.762 -0.852 -14.737 1.00 0.00 N ATOM 1128 CA LYS A 69 -14.614 0.525 -15.192 1.00 0.00 C ATOM 1129 C LYS A 69 -13.432 0.659 -16.147 1.00 0.00 C ATOM 1130 O LYS A 69 -12.665 -0.284 -16.337 1.00 0.00 O ATOM 1131 CB LYS A 69 -14.427 1.462 -13.997 1.00 0.00 C ATOM 1132 CG LYS A 69 -15.302 2.702 -14.053 1.00 0.00 C ATOM 1133 CD LYS A 69 -15.862 3.052 -12.684 1.00 0.00 C ATOM 1134 CE LYS A 69 -16.801 4.247 -12.755 1.00 0.00 C ATOM 1135 NZ LYS A 69 -18.226 3.827 -12.849 1.00 0.00 N ATOM 0 H LYS A 69 -13.909 -1.265 -14.359 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.523 0.804 -15.726 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.645 0.915 -13.080 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.382 1.767 -13.945 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.721 3.541 -14.435 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.122 2.538 -14.752 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.395 2.193 -12.277 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.042 3.272 -12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -16.663 4.870 -11.871 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.545 4.859 -13.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.834 4.670 -12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.363 3.254 -13.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.478 3.264 -12.012 1.00 0.00 H new ATOM 1149 N GLY A 70 -13.289 1.839 -16.744 1.00 0.00 N ATOM 1150 CA GLY A 70 -12.197 2.074 -17.670 1.00 0.00 C ATOM 1151 C GLY A 70 -11.126 2.973 -17.086 1.00 0.00 C ATOM 1152 O GLY A 70 -9.972 2.566 -16.945 1.00 0.00 O ATOM 0 H GLY A 70 -13.910 2.636 -16.603 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.752 1.120 -17.952 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -12.588 2.525 -18.582 1.00 0.00 H new ATOM 1156 N LEU A 71 -11.505 4.200 -16.747 1.00 0.00 N ATOM 1157 CA LEU A 71 -10.568 5.161 -16.176 1.00 0.00 C ATOM 1158 C LEU A 71 -10.821 5.348 -14.684 1.00 0.00 C ATOM 1159 O LEU A 71 -9.917 5.716 -13.932 1.00 0.00 O ATOM 1160 CB LEU A 71 -10.683 6.506 -16.897 1.00 0.00 C ATOM 1161 CG LEU A 71 -12.099 6.955 -17.257 1.00 0.00 C ATOM 1162 CD1 LEU A 71 -12.249 8.456 -17.059 1.00 0.00 C ATOM 1163 CD2 LEU A 71 -12.434 6.569 -18.690 1.00 0.00 C ATOM 0 H LEU A 71 -12.455 4.553 -16.858 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.559 4.770 -16.308 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.229 7.272 -16.269 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.095 6.456 -17.814 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.799 6.449 -16.593 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.263 8.758 -17.320 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.053 8.707 -16.017 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.539 8.980 -17.698 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.446 6.897 -18.928 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.728 7.047 -19.370 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.368 5.487 -18.800 1.00 0.00 H new ATOM 1175 N ASP A 72 -12.053 5.091 -14.261 1.00 0.00 N ATOM 1176 CA ASP A 72 -12.425 5.228 -12.857 1.00 0.00 C ATOM 1177 C ASP A 72 -12.194 3.921 -12.105 1.00 0.00 C ATOM 1178 O ASP A 72 -12.617 3.769 -10.958 1.00 0.00 O ATOM 1179 CB ASP A 72 -13.889 5.650 -12.734 1.00 0.00 C ATOM 1180 CG ASP A 72 -14.046 7.147 -12.548 1.00 0.00 C ATOM 1181 OD1 ASP A 72 -13.613 7.662 -11.496 1.00 0.00 O ATOM 1182 OD2 ASP A 72 -14.603 7.803 -13.454 1.00 0.00 O ATOM 0 H ASP A 72 -12.812 4.786 -14.870 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.795 5.999 -12.413 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.430 5.339 -13.628 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.344 5.132 -11.890 1.00 0.00 H new ATOM 1187 N THR A 73 -11.521 2.978 -12.758 1.00 0.00 N ATOM 1188 CA THR A 73 -11.237 1.684 -12.152 1.00 0.00 C ATOM 1189 C THR A 73 -10.383 1.839 -10.898 1.00 0.00 C ATOM 1190 O THR A 73 -9.428 2.615 -10.880 1.00 0.00 O ATOM 1191 CB THR A 73 -10.514 0.748 -13.139 1.00 0.00 C ATOM 1192 OG1 THR A 73 -11.313 0.562 -14.312 1.00 0.00 O ATOM 1193 CG2 THR A 73 -10.227 -0.600 -12.495 1.00 0.00 C ATOM 0 H THR A 73 -11.163 3.087 -13.707 1.00 0.00 H new ATOM 0 HA THR A 73 -12.197 1.244 -11.882 1.00 0.00 H new ATOM 0 HB THR A 73 -9.566 1.210 -13.415 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.766 0.724 -15.109 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.716 -1.244 -13.211 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.594 -0.457 -11.619 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.165 -1.066 -12.193 1.00 0.00 H new ATOM 1201 N GLU A 74 -10.733 1.096 -9.853 1.00 0.00 N ATOM 1202 CA GLU A 74 -9.997 1.152 -8.596 1.00 0.00 C ATOM 1203 C GLU A 74 -9.288 -0.171 -8.320 1.00 0.00 C ATOM 1204 O GLU A 74 -9.630 -1.203 -8.899 1.00 0.00 O ATOM 1205 CB GLU A 74 -10.942 1.487 -7.440 1.00 0.00 C ATOM 1206 CG GLU A 74 -10.240 2.081 -6.231 1.00 0.00 C ATOM 1207 CD GLU A 74 -11.193 2.802 -5.298 1.00 0.00 C ATOM 1208 OE1 GLU A 74 -12.395 2.464 -5.302 1.00 0.00 O ATOM 1209 OE2 GLU A 74 -10.737 3.705 -4.566 1.00 0.00 O ATOM 0 H GLU A 74 -11.521 0.449 -9.852 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.245 1.937 -8.681 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.698 2.189 -7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.466 0.581 -7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.733 1.286 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.471 2.777 -6.568 1.00 0.00 H new ATOM 1216 N ILE A 75 -8.299 -0.132 -7.434 1.00 0.00 N ATOM 1217 CA ILE A 75 -7.542 -1.326 -7.081 1.00 0.00 C ATOM 1218 C ILE A 75 -8.035 -1.921 -5.767 1.00 0.00 C ATOM 1219 O ILE A 75 -8.541 -1.208 -4.900 1.00 0.00 O ATOM 1220 CB ILE A 75 -6.037 -1.025 -6.962 1.00 0.00 C ATOM 1221 CG1 ILE A 75 -5.581 -0.127 -8.115 1.00 0.00 C ATOM 1222 CG2 ILE A 75 -5.237 -2.319 -6.944 1.00 0.00 C ATOM 1223 CD1 ILE A 75 -4.115 0.237 -8.054 1.00 0.00 C ATOM 0 H ILE A 75 -8.003 0.714 -6.947 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.697 -2.046 -7.884 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.861 -0.499 -6.024 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.783 -0.632 -9.060 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.175 0.787 -8.109 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.175 -2.089 -6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.546 -2.926 -6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.416 -2.871 -7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.863 0.874 -8.902 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.911 0.770 -7.126 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.513 -0.671 -8.091 1.00 0.00 H new ATOM 1235 N LYS A 76 -7.883 -3.234 -5.624 1.00 0.00 N ATOM 1236 CA LYS A 76 -8.310 -3.926 -4.414 1.00 0.00 C ATOM 1237 C LYS A 76 -7.214 -3.893 -3.353 1.00 0.00 C ATOM 1238 O LYS A 76 -6.103 -3.428 -3.609 1.00 0.00 O ATOM 1239 CB LYS A 76 -8.680 -5.376 -4.735 1.00 0.00 C ATOM 1240 CG LYS A 76 -10.080 -5.535 -5.302 1.00 0.00 C ATOM 1241 CD LYS A 76 -11.100 -5.795 -4.205 1.00 0.00 C ATOM 1242 CE LYS A 76 -12.422 -5.102 -4.498 1.00 0.00 C ATOM 1243 NZ LYS A 76 -13.495 -5.537 -3.562 1.00 0.00 N ATOM 0 H LYS A 76 -7.467 -3.840 -6.332 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.187 -3.412 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.960 -5.776 -5.449 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.595 -5.973 -3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.356 -4.634 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.093 -6.359 -6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.264 -6.868 -4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.707 -5.444 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.291 -4.023 -4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.725 -5.316 -5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.380 -5.042 -3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.638 -6.563 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.217 -5.310 -2.586 1.00 0.00 H new ATOM 1257 N ASP A 77 -7.534 -4.391 -2.163 1.00 0.00 N ATOM 1258 CA ASP A 77 -6.576 -4.420 -1.064 1.00 0.00 C ATOM 1259 C ASP A 77 -5.274 -5.087 -1.497 1.00 0.00 C ATOM 1260 O ASP A 77 -4.202 -4.776 -0.975 1.00 0.00 O ATOM 1261 CB ASP A 77 -7.167 -5.159 0.137 1.00 0.00 C ATOM 1262 CG ASP A 77 -8.424 -4.495 0.664 1.00 0.00 C ATOM 1263 OD1 ASP A 77 -8.353 -3.307 1.044 1.00 0.00 O ATOM 1264 OD2 ASP A 77 -9.479 -5.162 0.695 1.00 0.00 O ATOM 0 H ASP A 77 -8.449 -4.780 -1.935 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.359 -3.391 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.394 -6.186 -0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.424 -5.206 0.933 1.00 0.00 H new ATOM 1269 N ASP A 78 -5.374 -6.006 -2.451 1.00 0.00 N ATOM 1270 CA ASP A 78 -4.204 -6.717 -2.954 1.00 0.00 C ATOM 1271 C ASP A 78 -3.182 -5.743 -3.531 1.00 0.00 C ATOM 1272 O ASP A 78 -1.976 -5.979 -3.458 1.00 0.00 O ATOM 1273 CB ASP A 78 -4.618 -7.733 -4.020 1.00 0.00 C ATOM 1274 CG ASP A 78 -5.227 -8.985 -3.421 1.00 0.00 C ATOM 1275 OD1 ASP A 78 -4.509 -9.708 -2.699 1.00 0.00 O ATOM 1276 OD2 ASP A 78 -6.423 -9.242 -3.674 1.00 0.00 O ATOM 0 H ASP A 78 -6.253 -6.276 -2.892 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.744 -7.245 -2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.336 -7.272 -4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.747 -8.005 -4.616 1.00 0.00 H new ATOM 1281 N ASP A 79 -3.673 -4.650 -4.104 1.00 0.00 N ATOM 1282 CA ASP A 79 -2.802 -3.639 -4.694 1.00 0.00 C ATOM 1283 C ASP A 79 -1.856 -4.266 -5.714 1.00 0.00 C ATOM 1284 O ASP A 79 -0.667 -4.444 -5.447 1.00 0.00 O ATOM 1285 CB ASP A 79 -1.998 -2.929 -3.603 1.00 0.00 C ATOM 1286 CG ASP A 79 -2.781 -2.776 -2.314 1.00 0.00 C ATOM 1287 OD1 ASP A 79 -3.953 -2.352 -2.379 1.00 0.00 O ATOM 1288 OD2 ASP A 79 -2.220 -3.081 -1.240 1.00 0.00 O ATOM 0 H ASP A 79 -4.669 -4.441 -4.173 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.428 -2.909 -5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.085 -3.490 -3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.696 -1.944 -3.961 1.00 0.00 H new ATOM 1293 N LYS A 80 -2.392 -4.599 -6.883 1.00 0.00 N ATOM 1294 CA LYS A 80 -1.597 -5.205 -7.944 1.00 0.00 C ATOM 1295 C LYS A 80 -2.072 -4.736 -9.316 1.00 0.00 C ATOM 1296 O LYS A 80 -3.254 -4.846 -9.644 1.00 0.00 O ATOM 1297 CB LYS A 80 -1.675 -6.731 -7.860 1.00 0.00 C ATOM 1298 CG LYS A 80 -0.978 -7.441 -9.008 1.00 0.00 C ATOM 1299 CD LYS A 80 -0.770 -8.916 -8.708 1.00 0.00 C ATOM 1300 CE LYS A 80 0.414 -9.134 -7.779 1.00 0.00 C ATOM 1301 NZ LYS A 80 1.692 -8.679 -8.393 1.00 0.00 N ATOM 0 H LYS A 80 -3.374 -4.459 -7.120 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.561 -4.892 -7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.232 -7.058 -6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.722 -7.032 -7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.570 -7.334 -9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.014 -6.968 -9.198 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.671 -9.326 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.608 -9.459 -9.639 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.247 -8.596 -6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.488 -10.192 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.488 -9.184 -7.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.677 -8.878 -9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.805 -7.656 -8.241 1.00 0.00 H new ATOM 1315 N ILE A 81 -1.145 -4.215 -10.112 1.00 0.00 N ATOM 1316 CA ILE A 81 -1.470 -3.733 -11.448 1.00 0.00 C ATOM 1317 C ILE A 81 -0.600 -4.408 -12.503 1.00 0.00 C ATOM 1318 O ILE A 81 0.591 -4.633 -12.289 1.00 0.00 O ATOM 1319 CB ILE A 81 -1.293 -2.206 -11.554 1.00 0.00 C ATOM 1320 CG1 ILE A 81 -2.204 -1.495 -10.552 1.00 0.00 C ATOM 1321 CG2 ILE A 81 -1.585 -1.736 -12.971 1.00 0.00 C ATOM 1322 CD1 ILE A 81 -1.674 -0.152 -10.101 1.00 0.00 C ATOM 0 H ILE A 81 -0.163 -4.116 -9.855 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.515 -3.983 -11.628 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.259 -1.957 -11.316 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.187 -1.356 -11.002 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.340 -2.134 -9.680 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.456 -0.655 -13.030 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.898 -2.222 -13.664 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.611 -1.994 -13.236 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.371 0.295 -9.392 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.704 -0.286 -9.622 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.564 0.504 -10.964 1.00 0.00 H new ATOM 1334 N ASP A 82 -1.203 -4.728 -13.643 1.00 0.00 N ATOM 1335 CA ASP A 82 -0.483 -5.375 -14.734 1.00 0.00 C ATOM 1336 C ASP A 82 -0.547 -4.531 -16.003 1.00 0.00 C ATOM 1337 O ASP A 82 -1.615 -4.059 -16.395 1.00 0.00 O ATOM 1338 CB ASP A 82 -1.062 -6.765 -15.001 1.00 0.00 C ATOM 1339 CG ASP A 82 -1.494 -7.467 -13.729 1.00 0.00 C ATOM 1340 OD1 ASP A 82 -0.825 -7.278 -12.690 1.00 0.00 O ATOM 1341 OD2 ASP A 82 -2.500 -8.205 -13.771 1.00 0.00 O ATOM 0 H ASP A 82 -2.189 -4.550 -13.836 1.00 0.00 H new ATOM 0 HA ASP A 82 0.561 -5.475 -14.439 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.917 -6.677 -15.672 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.317 -7.374 -15.513 1.00 0.00 H new ATOM 1346 N LEU A 83 0.603 -4.344 -16.641 1.00 0.00 N ATOM 1347 CA LEU A 83 0.679 -3.555 -17.866 1.00 0.00 C ATOM 1348 C LEU A 83 1.049 -4.434 -19.057 1.00 0.00 C ATOM 1349 O LEU A 83 2.154 -4.974 -19.123 1.00 0.00 O ATOM 1350 CB LEU A 83 1.704 -2.430 -17.709 1.00 0.00 C ATOM 1351 CG LEU A 83 1.205 -1.160 -17.019 1.00 0.00 C ATOM 1352 CD1 LEU A 83 0.115 -0.496 -17.845 1.00 0.00 C ATOM 1353 CD2 LEU A 83 0.698 -1.478 -15.619 1.00 0.00 C ATOM 0 H LEU A 83 1.496 -4.728 -16.331 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.303 -3.119 -18.050 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.554 -2.816 -17.146 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.073 -2.161 -18.699 1.00 0.00 H new ATOM 0 HG LEU A 83 2.040 -0.465 -16.932 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.227 0.406 -17.338 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.511 -0.233 -18.826 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.721 -1.185 -17.965 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.347 -0.563 -15.143 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.123 -2.192 -15.683 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.507 -1.907 -15.028 1.00 0.00 H new ATOM 1365 N PHE A 84 0.120 -4.571 -19.996 1.00 0.00 N ATOM 1366 CA PHE A 84 0.349 -5.383 -21.186 1.00 0.00 C ATOM 1367 C PHE A 84 0.156 -4.556 -22.453 1.00 0.00 C ATOM 1368 O PHE A 84 -0.647 -3.624 -22.501 1.00 0.00 O ATOM 1369 CB PHE A 84 -0.598 -6.585 -21.199 1.00 0.00 C ATOM 1370 CG PHE A 84 -0.133 -7.723 -20.336 1.00 0.00 C ATOM 1371 CD1 PHE A 84 -0.400 -7.734 -18.977 1.00 0.00 C ATOM 1372 CD2 PHE A 84 0.572 -8.783 -20.885 1.00 0.00 C ATOM 1373 CE1 PHE A 84 0.027 -8.780 -18.180 1.00 0.00 C ATOM 1374 CE2 PHE A 84 1.000 -9.832 -20.094 1.00 0.00 C ATOM 1375 CZ PHE A 84 0.728 -9.830 -18.740 1.00 0.00 C ATOM 0 H PHE A 84 -0.799 -4.130 -19.957 1.00 0.00 H new ATOM 0 HA PHE A 84 1.378 -5.740 -21.159 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.584 -6.264 -20.863 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.710 -6.939 -22.224 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.948 -6.916 -18.534 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.789 -8.789 -21.943 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.187 -8.776 -17.121 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.547 -10.653 -20.534 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.063 -10.648 -18.120 1.00 0.00 H new ATOM 1385 N PRO A 85 0.912 -4.903 -23.506 1.00 0.00 N ATOM 1386 CA PRO A 85 0.843 -4.206 -24.794 1.00 0.00 C ATOM 1387 C PRO A 85 -0.470 -4.468 -25.525 1.00 0.00 C ATOM 1388 O PRO A 85 -1.064 -5.540 -25.419 1.00 0.00 O ATOM 1389 CB PRO A 85 2.018 -4.794 -25.579 1.00 0.00 C ATOM 1390 CG PRO A 85 2.241 -6.139 -24.976 1.00 0.00 C ATOM 1391 CD PRO A 85 1.890 -6.003 -23.520 1.00 0.00 C ATOM 0 HA PRO A 85 0.891 -3.124 -24.675 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.786 -4.870 -26.641 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.906 -4.168 -25.491 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.618 -6.892 -25.459 1.00 0.00 H new ATOM 0 HG3 PRO A 85 3.277 -6.455 -25.100 1.00 0.00 H new ATOM 0 HD2 PRO A 85 1.464 -6.924 -23.122 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.766 -5.769 -22.916 1.00 0.00 H new ATOM 1399 N PRO A 86 -0.934 -3.465 -26.286 1.00 0.00 N ATOM 1400 CA PRO A 86 -2.180 -3.564 -27.051 1.00 0.00 C ATOM 1401 C PRO A 86 -2.066 -4.532 -28.223 1.00 0.00 C ATOM 1402 O PRO A 86 -1.046 -5.199 -28.394 1.00 0.00 O ATOM 1403 CB PRO A 86 -2.400 -2.136 -27.556 1.00 0.00 C ATOM 1404 CG PRO A 86 -1.038 -1.533 -27.595 1.00 0.00 C ATOM 1405 CD PRO A 86 -0.277 -2.159 -26.459 1.00 0.00 C ATOM 0 HA PRO A 86 -3.001 -3.948 -26.445 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.863 -2.132 -28.543 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.061 -1.579 -26.892 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.550 -1.732 -28.549 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -1.087 -0.450 -27.482 1.00 0.00 H new ATOM 0 HD2 PRO A 86 0.781 -2.270 -26.697 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.338 -1.555 -25.553 1.00 0.00 H new ATOM 1413 N VAL A 87 -3.120 -4.603 -29.030 1.00 0.00 N ATOM 1414 CA VAL A 87 -3.138 -5.489 -30.188 1.00 0.00 C ATOM 1415 C VAL A 87 -2.156 -5.018 -31.255 1.00 0.00 C ATOM 1416 O VAL A 87 -2.017 -3.820 -31.500 1.00 0.00 O ATOM 1417 CB VAL A 87 -4.546 -5.578 -30.806 1.00 0.00 C ATOM 1418 CG1 VAL A 87 -4.590 -6.652 -31.882 1.00 0.00 C ATOM 1419 CG2 VAL A 87 -5.584 -5.848 -29.727 1.00 0.00 C ATOM 0 H VAL A 87 -3.973 -4.058 -28.903 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.842 -6.477 -29.835 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.781 -4.621 -31.273 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -5.593 -6.700 -32.307 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.874 -6.410 -32.667 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.335 -7.617 -31.444 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.573 -5.908 -30.181 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.355 -6.791 -29.230 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.568 -5.039 -28.996 1.00 0.00 H new ATOM 1429 N ALA A 88 -1.477 -5.969 -31.888 1.00 0.00 N ATOM 1430 CA ALA A 88 -0.509 -5.652 -32.931 1.00 0.00 C ATOM 1431 C ALA A 88 0.541 -4.668 -32.425 1.00 0.00 C ATOM 1432 O ALA A 88 1.131 -3.920 -33.204 1.00 0.00 O ATOM 1433 CB ALA A 88 -1.217 -5.089 -34.154 1.00 0.00 C ATOM 0 H ALA A 88 -1.579 -6.966 -31.697 1.00 0.00 H new ATOM 0 HA ALA A 88 0.001 -6.574 -33.212 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.482 -4.857 -34.925 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.924 -5.825 -34.536 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.753 -4.181 -33.878 1.00 0.00 H new ATOM 1439 N GLY A 89 0.768 -4.674 -31.115 1.00 0.00 N ATOM 1440 CA GLY A 89 1.746 -3.777 -30.528 1.00 0.00 C ATOM 1441 C GLY A 89 2.962 -4.511 -29.997 1.00 0.00 C ATOM 1442 O GLY A 89 2.833 -5.481 -29.251 1.00 0.00 O ATOM 0 H GLY A 89 0.292 -5.284 -30.450 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.062 -3.050 -31.276 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.280 -3.218 -29.717 1.00 0.00 H new ATOM 1446 N GLY A 90 4.147 -4.049 -30.384 1.00 0.00 N ATOM 1447 CA GLY A 90 5.373 -4.681 -29.934 1.00 0.00 C ATOM 1448 C GLY A 90 5.781 -5.846 -30.814 1.00 0.00 C ATOM 1449 O GLY A 90 6.226 -6.881 -30.318 1.00 0.00 O ATOM 0 H GLY A 90 4.280 -3.248 -31.001 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.175 -3.943 -29.919 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.243 -5.031 -28.910 1.00 0.00 H new TER 1453 GLY A 90