USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 574 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 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 SER OG : rot -150:sc= -0.0852 USER MOD Set 2.1: A -7 MET CE :methyl 173:sc= -0.438 (180deg=-0.676) USER MOD Set 2.2: A 22 ASN : amide:sc= -0.099 K(o=-0.54,f=0.63) USER MOD Single : A 1 LYS NZ :NH3+ -161:sc= -0.0566 (180deg=-0.449) USER MOD Single : A 2 ASN : amide:sc= -1.68 K(o=-1.7,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 162:sc= -0.1 (180deg=-0.521) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET N :NH3+ -169:sc= 0 (180deg=-0.116) USER MOD Single : A 10 SER OG : rot 57:sc= 0.012 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 19 ASN : amide:sc=-0.00121 K(o=-0.0012,f=-0.94) USER MOD Single : A 20 SER OG : rot 72:sc= 0.228 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc=-0.000582 USER MOD Single : A 42 HIS : no HD1:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 49 MET CE :methyl 161:sc= -0.091 (180deg=-0.547) USER MOD Single : A 55 LYS NZ :NH3+ 137:sc= -0.0513 (180deg=-0.458) USER MOD Single : A 56 MET CE :methyl 129:sc= -0.152 (180deg=-0.807) USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= -0.0193 (180deg=-0.254) USER MOD Single : A 63 GLN : amide:sc= -0.406 K(o=-0.41,f=-2.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -34.201 -15.063 11.133 1.00 20.00 N ATOM 2 CA MET A -7 -32.863 -15.225 10.517 1.00 20.00 C ATOM 3 C MET A -7 -31.795 -15.450 11.583 1.00 20.00 C ATOM 4 O MET A -7 -30.852 -16.216 11.379 1.00 20.00 O ATOM 5 CB MET A -7 -32.519 -13.988 9.680 1.00 20.00 C ATOM 6 CG MET A -7 -31.123 -14.021 9.078 1.00 20.00 C ATOM 7 SD MET A -7 -30.800 -12.616 7.996 1.00 20.00 S ATOM 8 CE MET A -7 -31.120 -11.247 9.110 1.00 20.00 C ATOM 0 H1 MET A -7 -34.931 -15.098 10.393 1.00 20.00 H new ATOM 0 H2 MET A -7 -34.364 -15.830 11.816 1.00 20.00 H new ATOM 0 H3 MET A -7 -34.249 -14.147 11.623 1.00 20.00 H new ATOM 0 HA MET A -7 -32.888 -16.101 9.869 1.00 20.00 H new ATOM 0 HB2 MET A -7 -33.249 -13.891 8.876 1.00 20.00 H new ATOM 0 HB3 MET A -7 -32.614 -13.100 10.305 1.00 20.00 H new ATOM 0 HG2 MET A -7 -30.386 -14.034 9.881 1.00 20.00 H new ATOM 0 HG3 MET A -7 -30.996 -14.945 8.514 1.00 20.00 H new ATOM 0 HE1 MET A -7 -30.843 -10.311 8.625 1.00 20.00 H new ATOM 0 HE2 MET A -7 -32.180 -11.225 9.364 1.00 20.00 H new ATOM 0 HE3 MET A -7 -30.532 -11.372 10.019 1.00 20.00 H new ATOM 20 N ASP A -6 -31.943 -14.789 12.722 1.00 20.00 N ATOM 21 CA ASP A -6 -30.984 -14.921 13.808 1.00 20.00 C ATOM 22 C ASP A -6 -31.331 -16.123 14.672 1.00 20.00 C ATOM 23 O ASP A -6 -32.499 -16.347 14.995 1.00 20.00 O ATOM 24 CB ASP A -6 -30.948 -13.654 14.670 1.00 20.00 C ATOM 25 CG ASP A -6 -30.486 -12.433 13.900 1.00 20.00 C ATOM 26 OD1 ASP A -6 -29.273 -12.311 13.633 1.00 20.00 O ATOM 27 OD2 ASP A -6 -31.335 -11.588 13.557 1.00 20.00 O ATOM 0 H ASP A -6 -32.718 -14.156 12.918 1.00 20.00 H new ATOM 0 HA ASP A -6 -29.997 -15.066 13.369 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -31.942 -13.467 15.075 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -30.283 -13.816 15.518 1.00 20.00 H new ATOM 32 N TYR A -5 -30.326 -16.907 15.025 1.00 20.00 N ATOM 33 CA TYR A -5 -30.537 -18.074 15.868 1.00 20.00 C ATOM 34 C TYR A -5 -29.735 -17.954 17.153 1.00 20.00 C ATOM 35 O TYR A -5 -28.801 -17.153 17.233 1.00 20.00 O ATOM 36 CB TYR A -5 -30.166 -19.363 15.128 1.00 20.00 C ATOM 37 CG TYR A -5 -31.109 -19.701 13.997 1.00 20.00 C ATOM 38 CD1 TYR A -5 -32.337 -20.299 14.253 1.00 20.00 C ATOM 39 CD2 TYR A -5 -30.781 -19.415 12.679 1.00 20.00 C ATOM 40 CE1 TYR A -5 -33.209 -20.606 13.228 1.00 20.00 C ATOM 41 CE2 TYR A -5 -31.650 -19.716 11.647 1.00 20.00 C ATOM 42 CZ TYR A -5 -32.861 -20.311 11.928 1.00 20.00 C ATOM 43 OH TYR A -5 -33.731 -20.608 10.903 1.00 20.00 O ATOM 0 H TYR A -5 -29.357 -16.758 14.742 1.00 20.00 H new ATOM 0 HA TYR A -5 -31.597 -18.120 16.119 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -29.155 -19.267 14.731 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -30.152 -20.189 15.839 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -32.614 -20.528 15.272 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -29.832 -18.950 12.456 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -34.158 -21.074 13.444 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -31.382 -19.486 10.626 1.00 20.00 H new ATOM 0 HH TYR A -5 -33.335 -20.336 10.049 1.00 20.00 H new ATOM 53 N LYS A -4 -30.123 -18.744 18.154 1.00 20.00 N ATOM 54 CA LYS A -4 -29.470 -18.738 19.467 1.00 20.00 C ATOM 55 C LYS A -4 -29.652 -17.384 20.149 1.00 20.00 C ATOM 56 O LYS A -4 -28.844 -16.974 20.987 1.00 20.00 O ATOM 57 CB LYS A -4 -27.980 -19.086 19.336 1.00 20.00 C ATOM 58 CG LYS A -4 -27.732 -20.473 18.754 1.00 20.00 C ATOM 59 CD LYS A -4 -26.248 -20.765 18.604 1.00 20.00 C ATOM 60 CE LYS A -4 -26.009 -22.161 18.047 1.00 20.00 C ATOM 61 NZ LYS A -4 -24.561 -22.472 17.919 1.00 20.00 N ATOM 0 H LYS A -4 -30.896 -19.405 18.080 1.00 20.00 H new ATOM 0 HA LYS A -4 -29.941 -19.500 20.087 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -27.495 -18.342 18.704 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -27.512 -19.023 20.318 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -28.187 -21.225 19.399 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -28.218 -20.551 17.782 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -25.795 -20.026 17.943 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -25.757 -20.669 19.573 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -26.481 -22.896 18.699 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -26.486 -22.248 17.071 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -24.445 -23.432 17.536 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -24.114 -21.787 17.277 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -24.110 -22.415 18.854 1.00 20.00 H new ATOM 75 N ASP A -3 -30.731 -16.703 19.778 1.00 20.00 N ATOM 76 CA ASP A -3 -31.070 -15.397 20.334 1.00 20.00 C ATOM 77 C ASP A -3 -32.527 -15.081 20.009 1.00 20.00 C ATOM 78 O ASP A -3 -33.060 -15.571 19.010 1.00 20.00 O ATOM 79 CB ASP A -3 -30.154 -14.311 19.758 1.00 20.00 C ATOM 80 CG ASP A -3 -30.218 -13.017 20.546 1.00 20.00 C ATOM 81 OD1 ASP A -3 -31.215 -12.287 20.424 1.00 20.00 O ATOM 82 OD2 ASP A -3 -29.267 -12.727 21.301 1.00 20.00 O ATOM 0 H ASP A -3 -31.396 -17.041 19.083 1.00 20.00 H new ATOM 0 HA ASP A -3 -30.931 -15.420 21.415 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -29.127 -14.675 19.747 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -30.434 -14.116 18.723 1.00 20.00 H new ATOM 87 N ASP A -2 -33.177 -14.278 20.841 1.00 20.00 N ATOM 88 CA ASP A -2 -34.598 -13.992 20.657 1.00 20.00 C ATOM 89 C ASP A -2 -34.841 -12.554 20.224 1.00 20.00 C ATOM 90 O ASP A -2 -35.986 -12.118 20.115 1.00 20.00 O ATOM 91 CB ASP A -2 -35.381 -14.278 21.939 1.00 20.00 C ATOM 92 CG ASP A -2 -35.387 -15.744 22.302 1.00 20.00 C ATOM 93 OD1 ASP A -2 -36.163 -16.510 21.689 1.00 20.00 O ATOM 94 OD2 ASP A -2 -34.612 -16.139 23.198 1.00 20.00 O ATOM 0 H ASP A -2 -32.750 -13.816 21.644 1.00 20.00 H new ATOM 0 HA ASP A -2 -34.950 -14.650 19.862 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -34.948 -13.706 22.760 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -36.408 -13.934 21.817 1.00 20.00 H new ATOM 99 N ASP A -1 -33.772 -11.811 19.990 1.00 20.00 N ATOM 100 CA ASP A -1 -33.897 -10.438 19.518 1.00 20.00 C ATOM 101 C ASP A -1 -33.537 -10.370 18.046 1.00 20.00 C ATOM 102 O ASP A -1 -32.360 -10.349 17.678 1.00 20.00 O ATOM 103 CB ASP A -1 -33.009 -9.486 20.323 1.00 20.00 C ATOM 104 CG ASP A -1 -33.293 -8.027 20.006 1.00 20.00 C ATOM 105 OD1 ASP A -1 -34.282 -7.483 20.545 1.00 20.00 O ATOM 106 OD2 ASP A -1 -32.542 -7.420 19.218 1.00 20.00 O ATOM 0 H ASP A -1 -32.812 -12.131 20.118 1.00 20.00 H new ATOM 0 HA ASP A -1 -34.931 -10.123 19.656 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -33.164 -9.661 21.388 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -31.962 -9.704 20.113 1.00 20.00 H new ATOM 111 N ASP A 0 -34.561 -10.333 17.207 1.00 20.00 N ATOM 112 CA ASP A 0 -34.376 -10.365 15.759 1.00 20.00 C ATOM 113 C ASP A 0 -34.053 -8.980 15.222 1.00 20.00 C ATOM 114 O ASP A 0 -33.869 -8.793 14.018 1.00 20.00 O ATOM 115 CB ASP A 0 -35.630 -10.913 15.067 1.00 20.00 C ATOM 116 CG ASP A 0 -35.905 -12.359 15.423 1.00 20.00 C ATOM 117 OD1 ASP A 0 -35.147 -13.243 14.972 1.00 20.00 O ATOM 118 OD2 ASP A 0 -36.882 -12.621 16.159 1.00 20.00 O ATOM 0 H ASP A 0 -35.535 -10.280 17.504 1.00 20.00 H new ATOM 0 HA ASP A 0 -33.536 -11.026 15.544 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -36.490 -10.304 15.346 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -35.513 -10.824 13.987 1.00 20.00 H new ATOM 123 N LYS A 1 -33.988 -8.011 16.119 1.00 20.00 N ATOM 124 CA LYS A 1 -33.673 -6.646 15.735 1.00 20.00 C ATOM 125 C LYS A 1 -32.176 -6.387 15.806 1.00 20.00 C ATOM 126 O LYS A 1 -31.669 -5.459 15.175 1.00 20.00 O ATOM 127 CB LYS A 1 -34.411 -5.649 16.629 1.00 20.00 C ATOM 128 CG LYS A 1 -35.913 -5.620 16.404 1.00 20.00 C ATOM 129 CD LYS A 1 -36.592 -4.610 17.314 1.00 20.00 C ATOM 130 CE LYS A 1 -38.065 -4.458 16.973 1.00 20.00 C ATOM 131 NZ LYS A 1 -38.263 -3.958 15.586 1.00 20.00 N ATOM 0 H LYS A 1 -34.149 -8.144 17.117 1.00 20.00 H new ATOM 0 HA LYS A 1 -34.001 -6.511 14.704 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -34.214 -5.895 17.672 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -34.008 -4.651 16.455 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -36.122 -5.372 15.363 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -36.328 -6.611 16.585 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -36.488 -4.926 18.352 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -36.095 -3.644 17.223 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -38.566 -5.419 17.088 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -38.532 -3.770 17.677 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -39.222 -3.566 15.492 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -37.564 -3.216 15.381 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -38.142 -4.742 14.914 1.00 20.00 H new ATOM 145 N ASN A 2 -31.484 -7.221 16.585 1.00 20.00 N ATOM 146 CA ASN A 2 -30.045 -7.084 16.828 1.00 20.00 C ATOM 147 C ASN A 2 -29.762 -5.783 17.564 1.00 20.00 C ATOM 148 O ASN A 2 -28.651 -5.254 17.512 1.00 20.00 O ATOM 149 CB ASN A 2 -29.232 -7.118 15.523 1.00 20.00 C ATOM 150 CG ASN A 2 -29.481 -8.351 14.672 1.00 20.00 C ATOM 151 OD1 ASN A 2 -29.357 -8.296 13.449 1.00 20.00 O ATOM 152 ND2 ASN A 2 -29.824 -9.467 15.297 1.00 20.00 N ATOM 0 H ASN A 2 -31.907 -8.014 17.067 1.00 20.00 H new ATOM 0 HA ASN A 2 -29.738 -7.934 17.438 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -29.469 -6.230 14.936 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -28.171 -7.065 15.767 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -29.995 -10.319 14.763 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -29.917 -9.475 16.313 1.00 20.00 H new ATOM 159 N ARG A 3 -30.767 -5.285 18.270 1.00 20.00 N ATOM 160 CA ARG A 3 -30.689 -3.972 18.893 1.00 20.00 C ATOM 161 C ARG A 3 -30.830 -4.073 20.406 1.00 20.00 C ATOM 162 O ARG A 3 -31.049 -3.070 21.091 1.00 20.00 O ATOM 163 CB ARG A 3 -31.770 -3.051 18.317 1.00 20.00 C ATOM 164 CG ARG A 3 -31.519 -2.623 16.878 1.00 20.00 C ATOM 165 CD ARG A 3 -32.743 -1.945 16.276 1.00 20.00 C ATOM 166 NE ARG A 3 -33.254 -0.873 17.129 1.00 20.00 N ATOM 167 CZ ARG A 3 -34.458 -0.318 16.991 1.00 20.00 C ATOM 168 NH1 ARG A 3 -35.260 -0.690 16.002 1.00 20.00 N ATOM 169 NH2 ARG A 3 -34.857 0.611 17.848 1.00 20.00 N ATOM 0 H ARG A 3 -31.649 -5.773 18.426 1.00 20.00 H new ATOM 0 HA ARG A 3 -29.708 -3.549 18.675 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -32.732 -3.560 18.371 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -31.845 -2.161 18.942 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -30.670 -1.941 16.843 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -31.253 -3.494 16.279 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -32.487 -1.538 15.298 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -33.526 -2.686 16.118 1.00 20.00 H new ATOM 0 HE ARG A 3 -32.651 -0.528 17.876 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -34.957 -1.405 15.341 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -36.180 -0.261 15.903 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -34.243 0.899 18.610 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -35.778 1.038 17.745 1.00 20.00 H new ATOM 183 N ALA A 4 -30.709 -5.287 20.924 1.00 20.00 N ATOM 184 CA ALA A 4 -30.719 -5.502 22.364 1.00 20.00 C ATOM 185 C ALA A 4 -29.397 -5.039 22.964 1.00 20.00 C ATOM 186 O ALA A 4 -29.343 -4.542 24.089 1.00 20.00 O ATOM 187 CB ALA A 4 -30.967 -6.968 22.682 1.00 20.00 C ATOM 0 H ALA A 4 -30.603 -6.137 20.370 1.00 20.00 H new ATOM 0 HA ALA A 4 -31.528 -4.919 22.803 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -30.971 -7.110 23.763 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -31.931 -7.271 22.272 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -30.177 -7.575 22.239 1.00 20.00 H new ATOM 193 N LEU A 5 -28.334 -5.208 22.189 1.00 20.00 N ATOM 194 CA LEU A 5 -27.008 -4.743 22.567 1.00 20.00 C ATOM 195 C LEU A 5 -26.535 -3.722 21.543 1.00 20.00 C ATOM 196 O LEU A 5 -27.040 -3.707 20.416 1.00 20.00 O ATOM 197 CB LEU A 5 -26.005 -5.913 22.633 1.00 20.00 C ATOM 198 CG LEU A 5 -26.145 -6.890 23.815 1.00 20.00 C ATOM 199 CD1 LEU A 5 -26.182 -6.151 25.144 1.00 20.00 C ATOM 200 CD2 LEU A 5 -27.373 -7.775 23.659 1.00 20.00 C ATOM 0 H LEU A 5 -28.368 -5.671 21.281 1.00 20.00 H new ATOM 0 HA LEU A 5 -27.063 -4.290 23.557 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -26.091 -6.485 21.709 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -24.999 -5.495 22.657 1.00 20.00 H new ATOM 0 HG LEU A 5 -25.264 -7.531 23.811 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -26.281 -6.870 25.957 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -25.260 -5.584 25.271 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -27.032 -5.468 25.157 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -27.443 -8.453 24.509 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -28.267 -7.153 23.616 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -27.290 -8.354 22.739 1.00 20.00 H new ATOM 212 N SER A 6 -25.582 -2.876 21.944 1.00 20.00 N ATOM 213 CA SER A 6 -25.005 -1.854 21.072 1.00 20.00 C ATOM 214 C SER A 6 -25.983 -0.696 20.849 1.00 20.00 C ATOM 215 O SER A 6 -27.166 -0.904 20.559 1.00 20.00 O ATOM 216 CB SER A 6 -24.580 -2.460 19.729 1.00 20.00 C ATOM 217 OG SER A 6 -23.703 -3.562 19.920 1.00 20.00 O ATOM 0 H SER A 6 -25.189 -2.882 22.885 1.00 20.00 H new ATOM 0 HA SER A 6 -24.120 -1.458 21.570 1.00 20.00 H new ATOM 0 HB2 SER A 6 -25.462 -2.785 19.177 1.00 20.00 H new ATOM 0 HB3 SER A 6 -24.087 -1.700 19.123 1.00 20.00 H new ATOM 0 HG SER A 6 -23.448 -3.932 19.049 1.00 20.00 H new ATOM 223 N PRO A 7 -25.501 0.547 20.999 1.00 20.00 N ATOM 224 CA PRO A 7 -26.318 1.737 20.771 1.00 20.00 C ATOM 225 C PRO A 7 -26.640 1.910 19.291 1.00 20.00 C ATOM 226 O PRO A 7 -25.779 1.701 18.432 1.00 20.00 O ATOM 227 CB PRO A 7 -25.434 2.884 21.275 1.00 20.00 C ATOM 228 CG PRO A 7 -24.040 2.368 21.159 1.00 20.00 C ATOM 229 CD PRO A 7 -24.122 0.885 21.394 1.00 20.00 C ATOM 0 HA PRO A 7 -27.282 1.688 21.278 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -25.574 3.784 20.676 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -25.675 3.146 22.305 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -23.625 2.584 20.174 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -23.387 2.843 21.891 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -23.389 0.343 20.796 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -23.931 0.633 22.437 1.00 20.00 H new ATOM 237 N MET A 8 -27.875 2.287 18.993 1.00 20.00 N ATOM 238 CA MET A 8 -28.311 2.427 17.612 1.00 20.00 C ATOM 239 C MET A 8 -27.821 3.751 17.030 1.00 20.00 C ATOM 240 O MET A 8 -28.604 4.660 16.752 1.00 20.00 O ATOM 241 CB MET A 8 -29.837 2.324 17.512 1.00 20.00 C ATOM 242 CG MET A 8 -30.350 2.250 16.080 1.00 20.00 C ATOM 243 SD MET A 8 -32.147 2.124 15.980 1.00 20.00 S ATOM 244 CE MET A 8 -32.640 3.690 16.696 1.00 20.00 C ATOM 0 H MET A 8 -28.591 2.501 19.687 1.00 20.00 H new ATOM 0 HA MET A 8 -27.877 1.613 17.031 1.00 20.00 H new ATOM 0 HB2 MET A 8 -30.169 1.439 18.054 1.00 20.00 H new ATOM 0 HB3 MET A 8 -30.284 3.187 18.005 1.00 20.00 H new ATOM 0 HG2 MET A 8 -30.023 3.136 15.537 1.00 20.00 H new ATOM 0 HG3 MET A 8 -29.903 1.389 15.584 1.00 20.00 H new ATOM 0 HE1 MET A 8 -33.673 3.906 16.422 1.00 20.00 H new ATOM 0 HE2 MET A 8 -32.556 3.636 17.781 1.00 20.00 H new ATOM 0 HE3 MET A 8 -31.992 4.482 16.321 1.00 20.00 H new ATOM 254 N VAL A 9 -26.513 3.850 16.847 1.00 20.00 N ATOM 255 CA VAL A 9 -25.905 5.041 16.274 1.00 20.00 C ATOM 256 C VAL A 9 -25.797 4.911 14.759 1.00 20.00 C ATOM 257 O VAL A 9 -24.992 5.587 14.115 1.00 20.00 O ATOM 258 CB VAL A 9 -24.505 5.315 16.871 1.00 20.00 C ATOM 259 CG1 VAL A 9 -24.605 5.609 18.360 1.00 20.00 C ATOM 260 CG2 VAL A 9 -23.564 4.142 16.622 1.00 20.00 C ATOM 0 H VAL A 9 -25.849 3.115 17.089 1.00 20.00 H new ATOM 0 HA VAL A 9 -26.552 5.883 16.522 1.00 20.00 H new ATOM 0 HB VAL A 9 -24.093 6.192 16.371 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -23.609 5.799 18.761 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -25.233 6.486 18.516 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -25.045 4.753 18.871 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -22.587 4.362 17.052 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -23.971 3.244 17.086 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -23.460 3.980 15.549 1.00 20.00 H new ATOM 270 N SER A 10 -26.628 4.048 14.200 1.00 20.00 N ATOM 271 CA SER A 10 -26.639 3.797 12.770 1.00 20.00 C ATOM 272 C SER A 10 -27.429 4.877 12.037 1.00 20.00 C ATOM 273 O SER A 10 -28.405 4.594 11.343 1.00 20.00 O ATOM 274 CB SER A 10 -27.233 2.411 12.492 1.00 20.00 C ATOM 275 OG SER A 10 -28.458 2.231 13.190 1.00 20.00 O ATOM 0 H SER A 10 -27.313 3.503 14.724 1.00 20.00 H new ATOM 0 HA SER A 10 -25.614 3.823 12.401 1.00 20.00 H new ATOM 0 HB2 SER A 10 -27.400 2.291 11.421 1.00 20.00 H new ATOM 0 HB3 SER A 10 -26.523 1.640 12.792 1.00 20.00 H new ATOM 0 HG SER A 10 -29.087 2.938 12.934 1.00 20.00 H new ATOM 281 N GLU A 11 -27.000 6.119 12.195 1.00 20.00 N ATOM 282 CA GLU A 11 -27.661 7.240 11.547 1.00 20.00 C ATOM 283 C GLU A 11 -26.964 7.584 10.236 1.00 20.00 C ATOM 284 O GLU A 11 -27.090 8.688 9.708 1.00 20.00 O ATOM 285 CB GLU A 11 -27.735 8.450 12.491 1.00 20.00 C ATOM 286 CG GLU A 11 -26.446 8.764 13.240 1.00 20.00 C ATOM 287 CD GLU A 11 -25.398 9.435 12.377 1.00 20.00 C ATOM 288 OE1 GLU A 11 -25.602 10.606 11.991 1.00 20.00 O ATOM 289 OE2 GLU A 11 -24.366 8.798 12.079 1.00 20.00 O ATOM 0 H GLU A 11 -26.196 6.376 12.767 1.00 20.00 H new ATOM 0 HA GLU A 11 -28.685 6.953 11.310 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -28.023 9.327 11.911 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -28.527 8.275 13.219 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -26.675 9.409 14.088 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -26.035 7.839 13.645 1.00 20.00 H new ATOM 296 N PHE A 12 -26.244 6.606 9.717 1.00 20.00 N ATOM 297 CA PHE A 12 -25.547 6.733 8.449 1.00 20.00 C ATOM 298 C PHE A 12 -26.499 6.412 7.303 1.00 20.00 C ATOM 299 O PHE A 12 -27.563 5.830 7.514 1.00 20.00 O ATOM 300 CB PHE A 12 -24.357 5.772 8.418 1.00 20.00 C ATOM 301 CG PHE A 12 -23.386 5.978 9.547 1.00 20.00 C ATOM 302 CD1 PHE A 12 -22.467 7.014 9.504 1.00 20.00 C ATOM 303 CD2 PHE A 12 -23.390 5.137 10.649 1.00 20.00 C ATOM 304 CE1 PHE A 12 -21.575 7.207 10.537 1.00 20.00 C ATOM 305 CE2 PHE A 12 -22.497 5.326 11.685 1.00 20.00 C ATOM 306 CZ PHE A 12 -21.587 6.362 11.628 1.00 20.00 C ATOM 0 H PHE A 12 -26.125 5.697 10.165 1.00 20.00 H new ATOM 0 HA PHE A 12 -25.186 7.756 8.338 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -24.727 4.747 8.451 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -23.830 5.890 7.471 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -22.449 7.677 8.652 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -24.100 4.325 10.698 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -20.866 8.020 10.493 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -22.511 4.664 12.538 1.00 20.00 H new ATOM 0 HZ PHE A 12 -20.886 6.511 12.436 1.00 20.00 H new ATOM 316 N GLU A 13 -26.114 6.789 6.092 1.00 20.00 N ATOM 317 CA GLU A 13 -26.921 6.510 4.907 1.00 20.00 C ATOM 318 C GLU A 13 -26.612 5.124 4.357 1.00 20.00 C ATOM 319 O GLU A 13 -26.788 4.859 3.167 1.00 20.00 O ATOM 320 CB GLU A 13 -26.669 7.564 3.828 1.00 20.00 C ATOM 321 CG GLU A 13 -27.198 8.943 4.184 1.00 20.00 C ATOM 322 CD GLU A 13 -26.808 9.994 3.168 1.00 20.00 C ATOM 323 OE1 GLU A 13 -27.455 10.073 2.104 1.00 20.00 O ATOM 324 OE2 GLU A 13 -25.844 10.743 3.425 1.00 20.00 O ATOM 0 H GLU A 13 -25.246 7.290 5.901 1.00 20.00 H new ATOM 0 HA GLU A 13 -27.971 6.544 5.198 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -25.597 7.633 3.643 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -27.132 7.236 2.897 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -28.285 8.903 4.261 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -26.819 9.232 5.164 1.00 20.00 H new ATOM 331 N THR A 14 -26.155 4.243 5.230 1.00 20.00 N ATOM 332 CA THR A 14 -25.797 2.892 4.843 1.00 20.00 C ATOM 333 C THR A 14 -26.712 1.867 5.502 1.00 20.00 C ATOM 334 O THR A 14 -26.288 0.758 5.829 1.00 20.00 O ATOM 335 CB THR A 14 -24.335 2.597 5.217 1.00 20.00 C ATOM 336 OG1 THR A 14 -24.090 3.013 6.566 1.00 20.00 O ATOM 337 CG2 THR A 14 -23.379 3.313 4.278 1.00 20.00 C ATOM 0 H THR A 14 -26.023 4.444 6.221 1.00 20.00 H new ATOM 0 HA THR A 14 -25.916 2.815 3.762 1.00 20.00 H new ATOM 0 HB THR A 14 -24.166 1.524 5.127 1.00 20.00 H new ATOM 0 HG1 THR A 14 -23.158 2.823 6.803 1.00 20.00 H new ATOM 0 HG21 THR A 14 -22.351 3.088 4.564 1.00 20.00 H new ATOM 0 HG22 THR A 14 -23.553 2.977 3.256 1.00 20.00 H new ATOM 0 HG23 THR A 14 -23.546 4.388 4.340 1.00 20.00 H new ATOM 345 N ILE A 15 -27.969 2.240 5.684 1.00 20.00 N ATOM 346 CA ILE A 15 -28.949 1.355 6.297 1.00 20.00 C ATOM 347 C ILE A 15 -29.506 0.403 5.248 1.00 20.00 C ATOM 348 O ILE A 15 -29.484 -0.817 5.416 1.00 20.00 O ATOM 349 CB ILE A 15 -30.106 2.150 6.942 1.00 20.00 C ATOM 350 CG1 ILE A 15 -29.567 3.124 7.994 1.00 20.00 C ATOM 351 CG2 ILE A 15 -31.122 1.203 7.562 1.00 20.00 C ATOM 352 CD1 ILE A 15 -30.626 4.034 8.583 1.00 20.00 C ATOM 0 H ILE A 15 -28.336 3.153 5.415 1.00 20.00 H new ATOM 0 HA ILE A 15 -28.448 0.791 7.083 1.00 20.00 H new ATOM 0 HB ILE A 15 -30.604 2.727 6.163 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -29.102 2.555 8.799 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -28.785 3.735 7.543 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -31.930 1.780 8.012 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -31.529 0.550 6.790 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -30.636 0.600 8.329 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -30.169 4.695 9.320 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -31.075 4.631 7.789 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -31.397 3.432 9.064 1.00 20.00 H new ATOM 364 N GLU A 16 -29.973 0.980 4.150 1.00 20.00 N ATOM 365 CA GLU A 16 -30.493 0.217 3.028 1.00 20.00 C ATOM 366 C GLU A 16 -29.401 -0.678 2.450 1.00 20.00 C ATOM 367 O GLU A 16 -29.624 -1.859 2.175 1.00 20.00 O ATOM 368 CB GLU A 16 -31.016 1.182 1.961 1.00 20.00 C ATOM 369 CG GLU A 16 -31.544 0.506 0.708 1.00 20.00 C ATOM 370 CD GLU A 16 -31.864 1.506 -0.381 1.00 20.00 C ATOM 371 OE1 GLU A 16 -30.938 1.901 -1.119 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.038 1.914 -0.502 1.00 20.00 O ATOM 0 H GLU A 16 -30.001 1.990 4.013 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.311 -0.419 3.367 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.812 1.788 2.395 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.213 1.864 1.680 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.805 -0.206 0.341 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.441 -0.063 0.953 1.00 20.00 H new ATOM 379 N GLN A 17 -28.213 -0.104 2.297 1.00 20.00 N ATOM 380 CA GLN A 17 -27.062 -0.823 1.766 1.00 20.00 C ATOM 381 C GLN A 17 -26.697 -2.005 2.662 1.00 20.00 C ATOM 382 O GLN A 17 -26.319 -3.073 2.176 1.00 20.00 O ATOM 383 CB GLN A 17 -25.868 0.128 1.636 1.00 20.00 C ATOM 384 CG GLN A 17 -24.634 -0.506 1.014 1.00 20.00 C ATOM 385 CD GLN A 17 -23.462 0.453 0.944 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.643 1.665 0.837 1.00 20.00 O ATOM 387 NE2 GLN A 17 -22.253 -0.081 0.990 1.00 20.00 N ATOM 0 H GLN A 17 -28.021 0.869 2.537 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.322 -1.210 0.781 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.165 0.986 1.034 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.609 0.507 2.625 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -24.348 -1.383 1.595 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.875 -0.854 0.010 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -22.145 -1.091 1.079 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -21.429 0.517 0.936 1.00 20.00 H new ATOM 396 N GLU A 18 -26.833 -1.817 3.970 1.00 20.00 N ATOM 397 CA GLU A 18 -26.496 -2.862 4.931 1.00 20.00 C ATOM 398 C GLU A 18 -27.443 -4.046 4.778 1.00 20.00 C ATOM 399 O GLU A 18 -27.031 -5.201 4.868 1.00 20.00 O ATOM 400 CB GLU A 18 -26.563 -2.321 6.363 1.00 20.00 C ATOM 401 CG GLU A 18 -26.137 -3.325 7.422 1.00 20.00 C ATOM 402 CD GLU A 18 -26.406 -2.834 8.825 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.597 -2.043 9.350 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.430 -3.236 9.413 1.00 20.00 O ATOM 0 H GLU A 18 -27.174 -0.952 4.389 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.477 -3.194 4.731 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -25.928 -1.438 6.437 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.583 -1.999 6.572 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.666 -4.264 7.261 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.073 -3.535 7.312 1.00 20.00 H new ATOM 411 N ASN A 19 -28.709 -3.749 4.522 1.00 20.00 N ATOM 412 CA ASN A 19 -29.721 -4.787 4.363 1.00 20.00 C ATOM 413 C ASN A 19 -29.474 -5.592 3.093 1.00 20.00 C ATOM 414 O ASN A 19 -29.769 -6.788 3.036 1.00 20.00 O ATOM 415 CB ASN A 19 -31.127 -4.179 4.349 1.00 20.00 C ATOM 416 CG ASN A 19 -31.498 -3.551 5.680 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.005 -3.960 6.734 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.377 -2.561 5.651 1.00 20.00 N ATOM 0 H ASN A 19 -29.061 -2.797 4.420 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.649 -5.462 5.216 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.186 -3.424 3.565 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.853 -4.954 4.101 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.667 -2.111 6.519 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.764 -2.249 4.761 1.00 20.00 H new ATOM 425 N SER A 20 -28.916 -4.935 2.081 1.00 20.00 N ATOM 426 CA SER A 20 -28.535 -5.611 0.849 1.00 20.00 C ATOM 427 C SER A 20 -27.315 -6.496 1.100 1.00 20.00 C ATOM 428 O SER A 20 -27.213 -7.604 0.574 1.00 20.00 O ATOM 429 CB SER A 20 -28.229 -4.583 -0.245 1.00 20.00 C ATOM 430 OG SER A 20 -29.270 -3.623 -0.345 1.00 20.00 O ATOM 0 H SER A 20 -28.718 -3.934 2.091 1.00 20.00 H new ATOM 0 HA SER A 20 -29.363 -6.236 0.516 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.287 -4.081 -0.025 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.104 -5.090 -1.202 1.00 20.00 H new ATOM 0 HG SER A 20 -29.239 -3.025 0.431 1.00 20.00 H new ATOM 436 N TYR A 21 -26.405 -6.000 1.930 1.00 20.00 N ATOM 437 CA TYR A 21 -25.204 -6.738 2.297 1.00 20.00 C ATOM 438 C TYR A 21 -25.576 -7.959 3.133 1.00 20.00 C ATOM 439 O TYR A 21 -24.969 -9.024 3.010 1.00 20.00 O ATOM 440 CB TYR A 21 -24.250 -5.822 3.074 1.00 20.00 C ATOM 441 CG TYR A 21 -22.956 -6.482 3.501 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.971 -6.787 2.571 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.718 -6.793 4.835 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.788 -7.385 2.956 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.535 -7.389 5.227 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.575 -7.683 4.284 1.00 20.00 C ATOM 447 OH TYR A 21 -19.394 -8.273 4.671 1.00 20.00 O ATOM 0 H TYR A 21 -26.478 -5.080 2.365 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.701 -7.080 1.393 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.015 -4.955 2.456 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.764 -5.451 3.961 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.133 -6.552 1.529 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.470 -6.565 5.576 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.033 -7.618 2.220 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.364 -7.623 6.267 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.402 -8.416 5.641 1.00 20.00 H new ATOM 457 N ASN A 22 -26.594 -7.790 3.968 1.00 20.00 N ATOM 458 CA ASN A 22 -27.096 -8.864 4.820 1.00 20.00 C ATOM 459 C ASN A 22 -27.552 -10.060 3.989 1.00 20.00 C ATOM 460 O ASN A 22 -27.402 -11.210 4.401 1.00 20.00 O ATOM 461 CB ASN A 22 -28.251 -8.355 5.688 1.00 20.00 C ATOM 462 CG ASN A 22 -28.885 -9.454 6.521 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.832 -10.106 6.088 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.375 -9.662 7.723 1.00 20.00 N ATOM 0 H ASN A 22 -27.094 -6.908 4.074 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.281 -9.191 5.466 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.885 -7.569 6.349 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.010 -7.905 5.048 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.768 -10.385 8.326 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -27.588 -9.100 8.047 1.00 20.00 H new ATOM 471 N GLU A 23 -28.084 -9.785 2.806 1.00 20.00 N ATOM 472 CA GLU A 23 -28.565 -10.839 1.926 1.00 20.00 C ATOM 473 C GLU A 23 -27.410 -11.712 1.447 1.00 20.00 C ATOM 474 O GLU A 23 -27.558 -12.924 1.287 1.00 20.00 O ATOM 475 CB GLU A 23 -29.308 -10.244 0.730 1.00 20.00 C ATOM 476 CG GLU A 23 -30.558 -9.471 1.114 1.00 20.00 C ATOM 477 CD GLU A 23 -31.344 -9.012 -0.092 1.00 20.00 C ATOM 478 OE1 GLU A 23 -32.054 -9.844 -0.692 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.260 -7.820 -0.448 1.00 20.00 O ATOM 0 H GLU A 23 -28.193 -8.841 2.434 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.258 -11.462 2.492 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.634 -9.582 0.187 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.583 -11.048 0.047 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -31.192 -10.099 1.740 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.277 -8.604 1.712 1.00 20.00 H new ATOM 486 N TRP A 24 -26.253 -11.094 1.250 1.00 20.00 N ATOM 487 CA TRP A 24 -25.074 -11.813 0.787 1.00 20.00 C ATOM 488 C TRP A 24 -24.449 -12.615 1.922 1.00 20.00 C ATOM 489 O TRP A 24 -23.747 -13.599 1.685 1.00 20.00 O ATOM 490 CB TRP A 24 -24.045 -10.845 0.200 1.00 20.00 C ATOM 491 CG TRP A 24 -24.562 -10.065 -0.969 1.00 20.00 C ATOM 492 CD1 TRP A 24 -25.365 -10.525 -1.973 1.00 20.00 C ATOM 493 CD2 TRP A 24 -24.298 -8.691 -1.265 1.00 20.00 C ATOM 494 NE1 TRP A 24 -25.625 -9.516 -2.867 1.00 20.00 N ATOM 495 CE2 TRP A 24 -24.980 -8.382 -2.456 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.554 -7.691 -0.636 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -24.939 -7.113 -3.030 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -23.511 -6.434 -1.207 1.00 20.00 C ATOM 499 CH2 TRP A 24 -24.200 -6.154 -2.392 1.00 20.00 C ATOM 0 H TRP A 24 -26.106 -10.096 1.404 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.389 -12.504 0.005 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.725 -10.151 0.977 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.163 -11.407 -0.109 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -25.741 -11.535 -2.052 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -26.205 -9.599 -3.702 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.021 -7.897 0.281 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -25.471 -6.894 -3.944 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.936 -5.654 -0.731 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -24.148 -5.160 -2.812 1.00 20.00 H new ATOM 510 N LEU A 25 -24.727 -12.206 3.155 1.00 20.00 N ATOM 511 CA LEU A 25 -24.190 -12.884 4.328 1.00 20.00 C ATOM 512 C LEU A 25 -24.761 -14.292 4.453 1.00 20.00 C ATOM 513 O LEU A 25 -24.161 -15.165 5.080 1.00 20.00 O ATOM 514 CB LEU A 25 -24.486 -12.083 5.599 1.00 20.00 C ATOM 515 CG LEU A 25 -23.772 -10.732 5.703 1.00 20.00 C ATOM 516 CD1 LEU A 25 -24.188 -10.004 6.975 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.262 -10.920 5.672 1.00 20.00 C ATOM 0 H LEU A 25 -25.323 -11.406 3.368 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.110 -12.959 4.204 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.561 -11.913 5.659 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.210 -12.688 6.463 1.00 20.00 H new ATOM 0 HG LEU A 25 -24.063 -10.126 4.845 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.671 -9.046 7.032 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -25.265 -9.835 6.962 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.927 -10.610 7.843 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.773 -9.949 5.747 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.956 -11.546 6.510 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.974 -11.400 4.737 1.00 20.00 H new ATOM 529 N ARG A 26 -25.914 -14.514 3.829 1.00 20.00 N ATOM 530 CA ARG A 26 -26.553 -15.827 3.836 1.00 20.00 C ATOM 531 C ARG A 26 -25.697 -16.849 3.091 1.00 20.00 C ATOM 532 O ARG A 26 -25.843 -18.055 3.280 1.00 20.00 O ATOM 533 CB ARG A 26 -27.943 -15.753 3.197 1.00 20.00 C ATOM 534 CG ARG A 26 -28.918 -14.853 3.941 1.00 20.00 C ATOM 535 CD ARG A 26 -30.269 -14.794 3.240 1.00 20.00 C ATOM 536 NE ARG A 26 -30.910 -16.107 3.161 1.00 20.00 N ATOM 537 CZ ARG A 26 -32.163 -16.300 2.747 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.915 -15.269 2.382 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.667 -17.526 2.699 1.00 20.00 N ATOM 0 H ARG A 26 -26.426 -13.800 3.311 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.656 -16.144 4.874 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.842 -15.394 2.173 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.361 -16.758 3.143 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -29.051 -15.221 4.958 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.502 -13.848 4.017 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.923 -14.104 3.773 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.137 -14.395 2.234 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.366 -16.924 3.439 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.535 -14.323 2.417 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.873 -15.423 2.066 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.096 -18.323 2.979 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.626 -17.671 2.382 1.00 20.00 H new ATOM 553 N ALA A 27 -24.799 -16.357 2.249 1.00 20.00 N ATOM 554 CA ALA A 27 -23.923 -17.221 1.476 1.00 20.00 C ATOM 555 C ALA A 27 -22.631 -17.511 2.229 1.00 20.00 C ATOM 556 O ALA A 27 -21.899 -18.442 1.891 1.00 20.00 O ATOM 557 CB ALA A 27 -23.613 -16.584 0.132 1.00 20.00 C ATOM 0 H ALA A 27 -24.659 -15.360 2.085 1.00 20.00 H new ATOM 0 HA ALA A 27 -24.439 -18.167 1.313 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -22.956 -17.240 -0.439 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -24.540 -16.430 -0.420 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.120 -15.625 0.289 1.00 20.00 H new ATOM 563 N LYS A 28 -22.362 -16.723 3.263 1.00 20.00 N ATOM 564 CA LYS A 28 -21.123 -16.857 4.021 1.00 20.00 C ATOM 565 C LYS A 28 -21.169 -18.090 4.915 1.00 20.00 C ATOM 566 O LYS A 28 -20.155 -18.759 5.122 1.00 20.00 O ATOM 567 CB LYS A 28 -20.866 -15.602 4.865 1.00 20.00 C ATOM 568 CG LYS A 28 -19.574 -15.660 5.669 1.00 20.00 C ATOM 569 CD LYS A 28 -19.392 -14.425 6.539 1.00 20.00 C ATOM 570 CE LYS A 28 -20.490 -14.299 7.590 1.00 20.00 C ATOM 571 NZ LYS A 28 -20.244 -13.169 8.524 1.00 20.00 N ATOM 0 H LYS A 28 -22.983 -15.986 3.596 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.304 -16.973 3.311 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.836 -14.733 4.208 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.703 -15.457 5.548 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.577 -16.550 6.298 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.727 -15.753 4.989 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.421 -14.469 7.033 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.389 -13.535 5.909 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -21.450 -14.157 7.095 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -20.558 -15.228 8.156 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -21.014 -13.121 9.221 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -19.340 -13.316 9.017 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -20.205 -12.278 7.989 1.00 20.00 H new ATOM 585 N VAL A 29 -22.353 -18.391 5.431 1.00 20.00 N ATOM 586 CA VAL A 29 -22.546 -19.557 6.287 1.00 20.00 C ATOM 587 C VAL A 29 -22.545 -20.841 5.453 1.00 20.00 C ATOM 588 O VAL A 29 -22.474 -21.952 5.985 1.00 20.00 O ATOM 589 CB VAL A 29 -23.863 -19.447 7.092 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.076 -19.557 6.179 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.921 -20.491 8.198 1.00 20.00 C ATOM 0 H VAL A 29 -23.198 -17.842 5.272 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.716 -19.593 6.993 1.00 20.00 H new ATOM 0 HB VAL A 29 -23.882 -18.462 7.559 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.987 -19.476 6.773 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.051 -18.754 5.442 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.060 -20.519 5.668 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.858 -20.389 8.746 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.863 -21.488 7.761 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.084 -20.345 8.880 1.00 20.00 H new ATOM 601 N ALA A 30 -22.596 -20.680 4.138 1.00 20.00 N ATOM 602 CA ALA A 30 -22.606 -21.814 3.226 1.00 20.00 C ATOM 603 C ALA A 30 -21.191 -22.338 3.006 1.00 20.00 C ATOM 604 O ALA A 30 -20.662 -22.304 1.895 1.00 20.00 O ATOM 605 CB ALA A 30 -23.250 -21.426 1.905 1.00 20.00 C ATOM 0 H ALA A 30 -22.631 -19.770 3.678 1.00 20.00 H new ATOM 0 HA ALA A 30 -23.197 -22.613 3.673 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -23.250 -22.285 1.234 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -24.276 -21.104 2.081 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -22.687 -20.611 1.451 1.00 20.00 H new ATOM 611 N THR A 31 -20.577 -22.800 4.080 1.00 20.00 N ATOM 612 CA THR A 31 -19.236 -23.350 4.024 1.00 20.00 C ATOM 613 C THR A 31 -19.274 -24.856 4.273 1.00 20.00 C ATOM 614 O THR A 31 -20.066 -25.326 5.095 1.00 20.00 O ATOM 615 CB THR A 31 -18.334 -22.676 5.078 1.00 20.00 C ATOM 616 OG1 THR A 31 -18.451 -21.250 4.978 1.00 20.00 O ATOM 617 CG2 THR A 31 -16.880 -23.078 4.893 1.00 20.00 C ATOM 0 H THR A 31 -20.992 -22.804 5.012 1.00 20.00 H new ATOM 0 HA THR A 31 -18.827 -23.159 3.032 1.00 20.00 H new ATOM 0 HB THR A 31 -18.661 -23.006 6.064 1.00 20.00 H new ATOM 0 HG1 THR A 31 -17.878 -20.827 5.651 1.00 20.00 H new ATOM 0 HG21 THR A 31 -16.268 -22.588 5.650 1.00 20.00 H new ATOM 0 HG22 THR A 31 -16.786 -24.159 4.994 1.00 20.00 H new ATOM 0 HG23 THR A 31 -16.542 -22.776 3.902 1.00 20.00 H new ATOM 625 N SER A 32 -18.440 -25.601 3.547 1.00 20.00 N ATOM 626 CA SER A 32 -18.334 -27.047 3.713 1.00 20.00 C ATOM 627 C SER A 32 -19.679 -27.723 3.447 1.00 20.00 C ATOM 628 O SER A 32 -20.343 -28.203 4.367 1.00 20.00 O ATOM 629 CB SER A 32 -17.831 -27.386 5.119 1.00 20.00 C ATOM 630 OG SER A 32 -16.641 -26.669 5.417 1.00 20.00 O ATOM 0 H SER A 32 -17.822 -25.219 2.831 1.00 20.00 H new ATOM 0 HA SER A 32 -17.615 -27.424 2.986 1.00 20.00 H new ATOM 0 HB2 SER A 32 -18.600 -27.144 5.853 1.00 20.00 H new ATOM 0 HB3 SER A 32 -17.644 -28.457 5.194 1.00 20.00 H new ATOM 0 HG SER A 32 -16.338 -26.899 6.320 1.00 20.00 H new ATOM 636 N LEU A 33 -20.077 -27.747 2.185 1.00 20.00 N ATOM 637 CA LEU A 33 -21.351 -28.333 1.799 1.00 20.00 C ATOM 638 C LEU A 33 -21.196 -29.830 1.583 1.00 20.00 C ATOM 639 O LEU A 33 -20.394 -30.267 0.758 1.00 20.00 O ATOM 640 CB LEU A 33 -21.904 -27.683 0.518 1.00 20.00 C ATOM 641 CG LEU A 33 -22.225 -26.179 0.589 1.00 20.00 C ATOM 642 CD1 LEU A 33 -23.045 -25.844 1.827 1.00 20.00 C ATOM 643 CD2 LEU A 33 -20.954 -25.341 0.538 1.00 20.00 C ATOM 0 H LEU A 33 -19.535 -27.367 1.409 1.00 20.00 H new ATOM 0 HA LEU A 33 -22.058 -28.151 2.609 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -21.181 -27.839 -0.282 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -22.814 -28.212 0.233 1.00 20.00 H new ATOM 0 HG LEU A 33 -22.826 -25.932 -0.286 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -23.254 -24.774 1.846 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -23.984 -26.397 1.802 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -22.485 -26.120 2.720 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -21.213 -24.284 0.590 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -20.314 -25.600 1.381 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -20.425 -25.539 -0.394 1.00 20.00 H new ATOM 655 N ALA A 34 -21.947 -30.607 2.340 1.00 20.00 N ATOM 656 CA ALA A 34 -21.946 -32.052 2.197 1.00 20.00 C ATOM 657 C ALA A 34 -23.351 -32.541 1.871 1.00 20.00 C ATOM 658 O ALA A 34 -24.099 -32.961 2.756 1.00 20.00 O ATOM 659 CB ALA A 34 -21.422 -32.712 3.461 1.00 20.00 C ATOM 0 H ALA A 34 -22.571 -30.258 3.067 1.00 20.00 H new ATOM 0 HA ALA A 34 -21.283 -32.327 1.376 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -21.428 -33.795 3.336 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -20.403 -32.375 3.652 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -22.058 -32.441 4.304 1.00 20.00 H new ATOM 665 N ASP A 35 -23.707 -32.460 0.599 1.00 20.00 N ATOM 666 CA ASP A 35 -25.033 -32.853 0.144 1.00 20.00 C ATOM 667 C ASP A 35 -25.162 -34.368 0.112 1.00 20.00 C ATOM 668 O ASP A 35 -24.342 -35.056 -0.499 1.00 20.00 O ATOM 669 CB ASP A 35 -25.322 -32.284 -1.251 1.00 20.00 C ATOM 670 CG ASP A 35 -25.356 -30.771 -1.274 1.00 20.00 C ATOM 671 OD1 ASP A 35 -26.408 -30.190 -0.932 1.00 20.00 O ATOM 672 OD2 ASP A 35 -24.334 -30.153 -1.645 1.00 20.00 O ATOM 0 H ASP A 35 -23.092 -32.123 -0.142 1.00 20.00 H new ATOM 0 HA ASP A 35 -25.760 -32.448 0.848 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -24.560 -32.636 -1.947 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -26.278 -32.669 -1.604 1.00 20.00 H new ATOM 677 N PRO A 36 -26.202 -34.906 0.762 1.00 20.00 N ATOM 678 CA PRO A 36 -26.463 -36.346 0.796 1.00 20.00 C ATOM 679 C PRO A 36 -27.123 -36.841 -0.490 1.00 20.00 C ATOM 680 O PRO A 36 -28.110 -37.582 -0.463 1.00 20.00 O ATOM 681 CB PRO A 36 -27.413 -36.492 1.983 1.00 20.00 C ATOM 682 CG PRO A 36 -28.166 -35.207 2.013 1.00 20.00 C ATOM 683 CD PRO A 36 -27.211 -34.147 1.527 1.00 20.00 C ATOM 0 HA PRO A 36 -25.550 -36.934 0.887 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -28.083 -37.342 1.854 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -26.867 -36.654 2.912 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -29.048 -35.258 1.375 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -28.515 -34.984 3.021 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -27.716 -33.410 0.902 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -26.759 -33.605 2.357 1.00 20.00 H new ATOM 691 N ARG A 37 -26.573 -36.412 -1.613 1.00 20.00 N ATOM 692 CA ARG A 37 -27.078 -36.810 -2.920 1.00 20.00 C ATOM 693 C ARG A 37 -26.397 -38.095 -3.403 1.00 20.00 C ATOM 694 O ARG A 37 -27.083 -39.045 -3.780 1.00 20.00 O ATOM 695 CB ARG A 37 -26.901 -35.680 -3.940 1.00 20.00 C ATOM 696 CG ARG A 37 -27.621 -34.404 -3.548 1.00 20.00 C ATOM 697 CD ARG A 37 -27.316 -33.266 -4.508 1.00 20.00 C ATOM 698 NE ARG A 37 -27.902 -32.012 -4.050 1.00 20.00 N ATOM 699 CZ ARG A 37 -27.643 -30.819 -4.581 1.00 20.00 C ATOM 700 NH1 ARG A 37 -26.850 -30.705 -5.639 1.00 20.00 N ATOM 701 NH2 ARG A 37 -28.191 -29.736 -4.055 1.00 20.00 N ATOM 0 H ARG A 37 -25.771 -35.783 -1.647 1.00 20.00 H new ATOM 0 HA ARG A 37 -28.145 -37.012 -2.822 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -25.838 -35.469 -4.058 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -27.269 -36.014 -4.910 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -28.696 -34.585 -3.528 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -27.327 -34.116 -2.538 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -26.237 -33.150 -4.606 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -27.702 -33.510 -5.498 1.00 20.00 H new ATOM 0 HE ARG A 37 -28.556 -32.052 -3.268 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -26.431 -31.537 -6.055 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -26.659 -29.785 -6.037 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -28.808 -29.818 -3.247 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -27.996 -28.819 -4.457 1.00 20.00 H new ATOM 715 N PRO A 38 -25.046 -38.161 -3.412 1.00 20.00 N ATOM 716 CA PRO A 38 -24.337 -39.398 -3.754 1.00 20.00 C ATOM 717 C PRO A 38 -24.493 -40.456 -2.664 1.00 20.00 C ATOM 718 O PRO A 38 -24.509 -40.137 -1.470 1.00 20.00 O ATOM 719 CB PRO A 38 -22.873 -38.959 -3.868 1.00 20.00 C ATOM 720 CG PRO A 38 -22.772 -37.749 -3.010 1.00 20.00 C ATOM 721 CD PRO A 38 -24.102 -37.058 -3.119 1.00 20.00 C ATOM 0 HA PRO A 38 -24.723 -39.855 -4.665 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -22.197 -39.743 -3.527 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -22.606 -38.735 -4.901 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -22.555 -38.019 -1.977 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -21.964 -37.098 -3.345 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -24.363 -36.542 -2.195 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -24.101 -36.310 -3.912 1.00 20.00 H new ATOM 729 N ALA A 39 -24.620 -41.709 -3.081 1.00 20.00 N ATOM 730 CA ALA A 39 -24.762 -42.817 -2.150 1.00 20.00 C ATOM 731 C ALA A 39 -23.481 -42.998 -1.346 1.00 20.00 C ATOM 732 O ALA A 39 -22.381 -42.974 -1.903 1.00 20.00 O ATOM 733 CB ALA A 39 -25.107 -44.095 -2.898 1.00 20.00 C ATOM 0 H ALA A 39 -24.627 -41.983 -4.064 1.00 20.00 H new ATOM 0 HA ALA A 39 -25.575 -42.592 -1.460 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -25.210 -44.916 -2.188 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -26.046 -43.960 -3.435 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -24.313 -44.327 -3.608 1.00 20.00 H new ATOM 739 N ILE A 40 -23.627 -43.164 -0.038 1.00 20.00 N ATOM 740 CA ILE A 40 -22.474 -43.296 0.845 1.00 20.00 C ATOM 741 C ILE A 40 -21.718 -44.597 0.576 1.00 20.00 C ATOM 742 O ILE A 40 -22.298 -45.684 0.621 1.00 20.00 O ATOM 743 CB ILE A 40 -22.873 -43.219 2.335 1.00 20.00 C ATOM 744 CG1 ILE A 40 -24.044 -44.158 2.641 1.00 20.00 C ATOM 745 CG2 ILE A 40 -23.220 -41.785 2.708 1.00 20.00 C ATOM 746 CD1 ILE A 40 -24.408 -44.215 4.106 1.00 20.00 C ATOM 0 H ILE A 40 -24.530 -43.210 0.435 1.00 20.00 H new ATOM 0 HA ILE A 40 -21.817 -42.454 0.628 1.00 20.00 H new ATOM 0 HB ILE A 40 -22.024 -43.542 2.937 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -24.915 -43.836 2.071 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -23.793 -45.162 2.299 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -23.500 -41.740 3.760 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -22.355 -41.145 2.535 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -24.054 -41.441 2.096 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -25.245 -44.899 4.247 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -23.551 -44.567 4.680 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -24.691 -43.220 4.449 1.00 20.00 H new ATOM 758 N PRO A 41 -20.417 -44.491 0.257 1.00 20.00 N ATOM 759 CA PRO A 41 -19.561 -45.653 -0.001 1.00 20.00 C ATOM 760 C PRO A 41 -19.322 -46.469 1.262 1.00 20.00 C ATOM 761 O PRO A 41 -19.522 -45.981 2.376 1.00 20.00 O ATOM 762 CB PRO A 41 -18.238 -45.038 -0.484 1.00 20.00 C ATOM 763 CG PRO A 41 -18.534 -43.608 -0.770 1.00 20.00 C ATOM 764 CD PRO A 41 -19.676 -43.230 0.121 1.00 20.00 C ATOM 0 HA PRO A 41 -20.013 -46.336 -0.720 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -17.463 -45.132 0.277 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -17.873 -45.547 -1.376 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -17.663 -42.983 -0.572 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -18.796 -43.467 -1.819 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -19.330 -42.859 1.086 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -20.291 -42.446 -0.321 1.00 20.00 H new ATOM 772 N HIS A 42 -18.860 -47.708 1.089 1.00 20.00 N ATOM 773 CA HIS A 42 -18.655 -48.610 2.217 1.00 20.00 C ATOM 774 C HIS A 42 -17.510 -48.120 3.098 1.00 20.00 C ATOM 775 O HIS A 42 -17.363 -48.560 4.234 1.00 20.00 O ATOM 776 CB HIS A 42 -18.400 -50.059 1.753 1.00 20.00 C ATOM 777 CG HIS A 42 -17.115 -50.279 0.999 1.00 20.00 C ATOM 778 ND1 HIS A 42 -17.065 -50.494 -0.360 1.00 20.00 N ATOM 779 CD2 HIS A 42 -15.830 -50.345 1.431 1.00 20.00 C ATOM 780 CE1 HIS A 42 -15.813 -50.683 -0.728 1.00 20.00 C ATOM 781 NE2 HIS A 42 -15.042 -50.597 0.338 1.00 20.00 N ATOM 0 H HIS A 42 -18.622 -48.107 0.181 1.00 20.00 H new ATOM 0 HA HIS A 42 -19.573 -48.610 2.805 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -18.404 -50.709 2.628 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -19.231 -50.372 1.120 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -15.491 -50.222 2.449 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -15.475 -50.876 -1.735 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -14.027 -50.701 0.348 1.00 20.00 H new ATOM 790 N ASP A 43 -16.705 -47.204 2.566 1.00 20.00 N ATOM 791 CA ASP A 43 -15.611 -46.615 3.334 1.00 20.00 C ATOM 792 C ASP A 43 -16.147 -45.735 4.457 1.00 20.00 C ATOM 793 O ASP A 43 -15.457 -45.485 5.446 1.00 20.00 O ATOM 794 CB ASP A 43 -14.663 -45.812 2.440 1.00 20.00 C ATOM 795 CG ASP A 43 -13.765 -46.703 1.603 1.00 20.00 C ATOM 796 OD1 ASP A 43 -12.825 -47.305 2.167 1.00 20.00 O ATOM 797 OD2 ASP A 43 -13.990 -46.804 0.380 1.00 20.00 O ATOM 0 H ASP A 43 -16.788 -46.855 1.611 1.00 20.00 H new ATOM 0 HA ASP A 43 -15.045 -47.437 3.773 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -15.247 -45.168 1.782 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -14.048 -45.160 3.060 1.00 20.00 H new ATOM 802 N GLU A 44 -17.381 -45.271 4.309 1.00 20.00 N ATOM 803 CA GLU A 44 -18.035 -44.513 5.368 1.00 20.00 C ATOM 804 C GLU A 44 -18.375 -45.447 6.521 1.00 20.00 C ATOM 805 O GLU A 44 -18.189 -45.111 7.689 1.00 20.00 O ATOM 806 CB GLU A 44 -19.297 -43.821 4.847 1.00 20.00 C ATOM 807 CG GLU A 44 -19.013 -42.668 3.896 1.00 20.00 C ATOM 808 CD GLU A 44 -18.348 -41.493 4.586 1.00 20.00 C ATOM 809 OE1 GLU A 44 -17.112 -41.509 4.743 1.00 20.00 O ATOM 810 OE2 GLU A 44 -19.061 -40.546 4.976 1.00 20.00 O ATOM 0 H GLU A 44 -17.947 -45.405 3.471 1.00 20.00 H new ATOM 0 HA GLU A 44 -17.354 -43.738 5.720 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -19.920 -44.556 4.337 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -19.873 -43.448 5.694 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -18.373 -43.019 3.086 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -19.947 -42.337 3.443 1.00 20.00 H new ATOM 817 N VAL A 45 -18.834 -46.642 6.170 1.00 20.00 N ATOM 818 CA VAL A 45 -19.152 -47.672 7.151 1.00 20.00 C ATOM 819 C VAL A 45 -17.892 -48.090 7.904 1.00 20.00 C ATOM 820 O VAL A 45 -17.931 -48.383 9.102 1.00 20.00 O ATOM 821 CB VAL A 45 -19.782 -48.908 6.473 1.00 20.00 C ATOM 822 CG1 VAL A 45 -20.125 -49.980 7.496 1.00 20.00 C ATOM 823 CG2 VAL A 45 -21.017 -48.509 5.684 1.00 20.00 C ATOM 0 H VAL A 45 -18.996 -46.923 5.203 1.00 20.00 H new ATOM 0 HA VAL A 45 -19.874 -47.255 7.853 1.00 20.00 H new ATOM 0 HB VAL A 45 -19.048 -49.325 5.784 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -20.567 -50.838 6.990 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -19.218 -50.292 8.014 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -20.836 -49.579 8.218 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -21.449 -49.392 5.213 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -21.749 -48.062 6.356 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -20.741 -47.786 4.916 1.00 20.00 H new ATOM 833 N GLU A 46 -16.772 -48.095 7.192 1.00 20.00 N ATOM 834 CA GLU A 46 -15.484 -48.432 7.783 1.00 20.00 C ATOM 835 C GLU A 46 -15.160 -47.506 8.947 1.00 20.00 C ATOM 836 O GLU A 46 -14.725 -47.959 10.004 1.00 20.00 O ATOM 837 CB GLU A 46 -14.364 -48.353 6.743 1.00 20.00 C ATOM 838 CG GLU A 46 -14.593 -49.230 5.522 1.00 20.00 C ATOM 839 CD GLU A 46 -14.732 -50.694 5.872 1.00 20.00 C ATOM 840 OE1 GLU A 46 -13.697 -51.386 5.986 1.00 20.00 O ATOM 841 OE2 GLU A 46 -15.873 -51.166 6.027 1.00 20.00 O ATOM 0 H GLU A 46 -16.731 -47.868 6.198 1.00 20.00 H new ATOM 0 HA GLU A 46 -15.553 -49.456 8.151 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -14.255 -47.318 6.419 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -13.424 -48.641 7.214 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -15.493 -48.897 5.005 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -13.762 -49.104 4.828 1.00 20.00 H new ATOM 848 N ARG A 47 -15.387 -46.208 8.771 1.00 20.00 N ATOM 849 CA ARG A 47 -15.055 -45.255 9.819 1.00 20.00 C ATOM 850 C ARG A 47 -16.131 -45.211 10.891 1.00 20.00 C ATOM 851 O ARG A 47 -15.877 -44.750 12.001 1.00 20.00 O ATOM 852 CB ARG A 47 -14.776 -43.849 9.266 1.00 20.00 C ATOM 853 CG ARG A 47 -15.969 -43.153 8.630 1.00 20.00 C ATOM 854 CD ARG A 47 -15.634 -41.706 8.290 1.00 20.00 C ATOM 855 NE ARG A 47 -16.720 -41.027 7.589 1.00 20.00 N ATOM 856 CZ ARG A 47 -17.084 -39.766 7.820 1.00 20.00 C ATOM 857 NH1 ARG A 47 -16.467 -39.052 8.755 1.00 20.00 N ATOM 858 NH2 ARG A 47 -18.058 -39.219 7.104 1.00 20.00 N ATOM 0 H ARG A 47 -15.792 -45.799 7.929 1.00 20.00 H new ATOM 0 HA ARG A 47 -14.132 -45.609 10.278 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -14.402 -43.225 10.078 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -13.980 -43.919 8.525 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -16.266 -43.684 7.726 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -16.819 -43.184 9.311 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -15.405 -41.165 9.208 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -14.736 -41.680 7.672 1.00 20.00 H new ATOM 0 HE ARG A 47 -17.232 -41.550 6.879 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -15.712 -39.469 9.299 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -16.749 -38.087 8.929 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -18.526 -39.763 6.379 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -18.339 -38.254 7.278 1.00 20.00 H new ATOM 872 N ARG A 48 -17.325 -45.687 10.563 1.00 20.00 N ATOM 873 CA ARG A 48 -18.378 -45.827 11.560 1.00 20.00 C ATOM 874 C ARG A 48 -17.919 -46.775 12.664 1.00 20.00 C ATOM 875 O ARG A 48 -17.954 -46.434 13.844 1.00 20.00 O ATOM 876 CB ARG A 48 -19.668 -46.362 10.928 1.00 20.00 C ATOM 877 CG ARG A 48 -20.298 -45.443 9.886 1.00 20.00 C ATOM 878 CD ARG A 48 -21.048 -44.271 10.507 1.00 20.00 C ATOM 879 NE ARG A 48 -20.158 -43.267 11.094 1.00 20.00 N ATOM 880 CZ ARG A 48 -20.561 -42.057 11.476 1.00 20.00 C ATOM 881 NH1 ARG A 48 -21.831 -41.699 11.327 1.00 20.00 N ATOM 882 NH2 ARG A 48 -19.695 -41.202 12.004 1.00 20.00 N ATOM 0 H ARG A 48 -17.587 -45.981 9.622 1.00 20.00 H new ATOM 0 HA ARG A 48 -18.583 -44.842 11.980 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -19.456 -47.325 10.463 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -20.395 -46.544 11.719 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -19.519 -45.061 9.227 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -20.985 -46.020 9.267 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -21.667 -43.798 9.744 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -21.722 -44.646 11.277 1.00 20.00 H new ATOM 0 HE ARG A 48 -19.175 -43.508 11.217 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -22.500 -42.352 10.919 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -22.137 -40.771 11.621 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -18.718 -41.471 12.118 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -20.006 -40.276 12.296 1.00 20.00 H new ATOM 896 N MET A 49 -17.481 -47.966 12.269 1.00 20.00 N ATOM 897 CA MET A 49 -17.066 -48.982 13.231 1.00 20.00 C ATOM 898 C MET A 49 -15.563 -48.934 13.546 1.00 20.00 C ATOM 899 O MET A 49 -15.173 -48.858 14.711 1.00 20.00 O ATOM 900 CB MET A 49 -17.470 -50.381 12.741 1.00 20.00 C ATOM 901 CG MET A 49 -16.920 -50.751 11.376 1.00 20.00 C ATOM 902 SD MET A 49 -17.398 -52.413 10.859 1.00 20.00 S ATOM 903 CE MET A 49 -19.180 -52.243 10.747 1.00 20.00 C ATOM 0 H MET A 49 -17.404 -48.251 11.293 1.00 20.00 H new ATOM 0 HA MET A 49 -17.586 -48.761 14.163 1.00 20.00 H new ATOM 0 HB2 MET A 49 -17.131 -51.119 13.468 1.00 20.00 H new ATOM 0 HB3 MET A 49 -18.558 -50.441 12.709 1.00 20.00 H new ATOM 0 HG2 MET A 49 -17.273 -50.030 10.639 1.00 20.00 H new ATOM 0 HG3 MET A 49 -15.833 -50.680 11.396 1.00 20.00 H new ATOM 0 HE1 MET A 49 -19.584 -53.047 10.132 1.00 20.00 H new ATOM 0 HE2 MET A 49 -19.614 -52.296 11.745 1.00 20.00 H new ATOM 0 HE3 MET A 49 -19.426 -51.282 10.295 1.00 20.00 H new ATOM 913 N ALA A 50 -14.722 -48.984 12.516 1.00 20.00 N ATOM 914 CA ALA A 50 -13.285 -49.169 12.705 1.00 20.00 C ATOM 915 C ALA A 50 -12.514 -47.852 12.809 1.00 20.00 C ATOM 916 O ALA A 50 -11.958 -47.539 13.862 1.00 20.00 O ATOM 917 CB ALA A 50 -12.718 -50.024 11.582 1.00 20.00 C ATOM 0 H ALA A 50 -15.011 -48.899 11.541 1.00 20.00 H new ATOM 0 HA ALA A 50 -13.158 -49.678 13.661 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -11.646 -50.157 11.731 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -13.208 -50.998 11.583 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -12.893 -49.531 10.626 1.00 20.00 H new ATOM 923 N GLU A 51 -12.497 -47.078 11.721 1.00 20.00 N ATOM 924 CA GLU A 51 -11.618 -45.904 11.621 1.00 20.00 C ATOM 925 C GLU A 51 -11.944 -44.850 12.678 1.00 20.00 C ATOM 926 O GLU A 51 -11.145 -43.946 12.919 1.00 20.00 O ATOM 927 CB GLU A 51 -11.652 -45.271 10.225 1.00 20.00 C ATOM 928 CG GLU A 51 -11.394 -46.248 9.087 1.00 20.00 C ATOM 929 CD GLU A 51 -11.187 -45.548 7.759 1.00 20.00 C ATOM 930 OE1 GLU A 51 -12.184 -45.229 7.079 1.00 20.00 O ATOM 931 OE2 GLU A 51 -10.019 -45.311 7.385 1.00 20.00 O ATOM 0 H GLU A 51 -13.078 -47.240 10.899 1.00 20.00 H new ATOM 0 HA GLU A 51 -10.608 -46.272 11.804 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -12.626 -44.805 10.074 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -10.908 -44.476 10.181 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -10.514 -46.848 9.319 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -12.236 -46.936 9.005 1.00 20.00 H new ATOM 938 N ARG A 52 -13.129 -44.943 13.281 1.00 20.00 N ATOM 939 CA ARG A 52 -13.502 -44.053 14.381 1.00 20.00 C ATOM 940 C ARG A 52 -12.452 -44.096 15.491 1.00 20.00 C ATOM 941 O ARG A 52 -12.267 -43.121 16.219 1.00 20.00 O ATOM 942 CB ARG A 52 -14.871 -44.424 14.961 1.00 20.00 C ATOM 943 CG ARG A 52 -14.905 -45.780 15.645 1.00 20.00 C ATOM 944 CD ARG A 52 -16.215 -45.997 16.384 1.00 20.00 C ATOM 945 NE ARG A 52 -16.304 -47.344 16.941 1.00 20.00 N ATOM 946 CZ ARG A 52 -17.239 -47.735 17.806 1.00 20.00 C ATOM 947 NH1 ARG A 52 -18.154 -46.876 18.240 1.00 20.00 N ATOM 948 NH2 ARG A 52 -17.257 -48.988 18.238 1.00 20.00 N ATOM 0 H ARG A 52 -13.845 -45.623 13.028 1.00 20.00 H new ATOM 0 HA ARG A 52 -13.558 -43.043 13.975 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -15.170 -43.659 15.678 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -15.609 -44.415 14.159 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -14.770 -46.567 14.903 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -14.074 -45.856 16.346 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -16.306 -45.265 17.186 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -17.049 -45.829 15.703 1.00 20.00 H new ATOM 0 HE ARG A 52 -15.606 -48.029 16.649 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -18.144 -45.911 17.911 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -18.867 -47.182 18.902 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -16.556 -49.651 17.908 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -17.972 -49.289 18.900 1.00 20.00 H new ATOM 962 N PHE A 53 -11.761 -45.228 15.608 1.00 20.00 N ATOM 963 CA PHE A 53 -10.690 -45.369 16.579 1.00 20.00 C ATOM 964 C PHE A 53 -9.564 -44.393 16.258 1.00 20.00 C ATOM 965 O PHE A 53 -9.044 -43.723 17.141 1.00 20.00 O ATOM 966 CB PHE A 53 -10.170 -46.810 16.602 1.00 20.00 C ATOM 967 CG PHE A 53 -9.057 -47.040 17.591 1.00 20.00 C ATOM 968 CD1 PHE A 53 -9.211 -46.695 18.925 1.00 20.00 C ATOM 969 CD2 PHE A 53 -7.856 -47.597 17.181 1.00 20.00 C ATOM 970 CE1 PHE A 53 -8.188 -46.903 19.831 1.00 20.00 C ATOM 971 CE2 PHE A 53 -6.830 -47.806 18.083 1.00 20.00 C ATOM 972 CZ PHE A 53 -6.997 -47.460 19.410 1.00 20.00 C ATOM 0 H PHE A 53 -11.927 -46.059 15.040 1.00 20.00 H new ATOM 0 HA PHE A 53 -11.081 -45.136 17.570 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -10.996 -47.481 16.837 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -9.818 -47.075 15.605 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -10.141 -46.259 19.260 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -7.720 -47.871 16.145 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -8.320 -46.630 20.868 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -5.898 -48.240 17.751 1.00 20.00 H new ATOM 0 HZ PHE A 53 -6.197 -47.625 20.117 1.00 20.00 H new ATOM 982 N ALA A 54 -9.208 -44.295 14.986 1.00 20.00 N ATOM 983 CA ALA A 54 -8.211 -43.329 14.551 1.00 20.00 C ATOM 984 C ALA A 54 -8.748 -41.914 14.722 1.00 20.00 C ATOM 985 O ALA A 54 -8.021 -40.996 15.100 1.00 20.00 O ATOM 986 CB ALA A 54 -7.825 -43.577 13.103 1.00 20.00 C ATOM 0 H ALA A 54 -9.594 -44.871 14.238 1.00 20.00 H new ATOM 0 HA ALA A 54 -7.320 -43.445 15.167 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -7.078 -42.845 12.795 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -7.412 -44.581 13.003 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -8.707 -43.484 12.470 1.00 20.00 H new ATOM 992 N LYS A 55 -10.039 -41.763 14.455 1.00 20.00 N ATOM 993 CA LYS A 55 -10.722 -40.479 14.569 1.00 20.00 C ATOM 994 C LYS A 55 -10.650 -39.936 15.998 1.00 20.00 C ATOM 995 O LYS A 55 -10.444 -38.738 16.206 1.00 20.00 O ATOM 996 CB LYS A 55 -12.179 -40.635 14.113 1.00 20.00 C ATOM 997 CG LYS A 55 -13.030 -39.380 14.245 1.00 20.00 C ATOM 998 CD LYS A 55 -14.369 -39.556 13.547 1.00 20.00 C ATOM 999 CE LYS A 55 -15.317 -38.398 13.825 1.00 20.00 C ATOM 1000 NZ LYS A 55 -15.825 -38.414 15.223 1.00 20.00 N ATOM 0 H LYS A 55 -10.643 -42.527 14.153 1.00 20.00 H new ATOM 0 HA LYS A 55 -10.221 -39.756 13.925 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -12.186 -40.953 13.070 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -12.642 -41.433 14.693 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -13.192 -39.155 15.299 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -12.500 -38.530 13.815 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -14.208 -39.642 12.472 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -14.829 -40.488 13.876 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -14.802 -37.456 13.638 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -16.158 -38.445 13.133 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -15.809 -37.449 15.609 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -16.800 -38.775 15.234 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -15.222 -39.030 15.805 1.00 20.00 H new ATOM 1014 N MET A 56 -10.793 -40.819 16.979 1.00 20.00 N ATOM 1015 CA MET A 56 -10.748 -40.407 18.378 1.00 20.00 C ATOM 1016 C MET A 56 -9.309 -40.184 18.835 1.00 20.00 C ATOM 1017 O MET A 56 -9.061 -39.471 19.807 1.00 20.00 O ATOM 1018 CB MET A 56 -11.464 -41.432 19.278 1.00 20.00 C ATOM 1019 CG MET A 56 -10.799 -42.800 19.362 1.00 20.00 C ATOM 1020 SD MET A 56 -9.461 -42.879 20.572 1.00 20.00 S ATOM 1021 CE MET A 56 -10.367 -42.647 22.101 1.00 20.00 C ATOM 0 H MET A 56 -10.940 -41.818 16.834 1.00 20.00 H new ATOM 0 HA MET A 56 -11.277 -39.458 18.467 1.00 20.00 H new ATOM 0 HB2 MET A 56 -11.537 -41.019 20.284 1.00 20.00 H new ATOM 0 HB3 MET A 56 -12.483 -41.563 18.913 1.00 20.00 H new ATOM 0 HG2 MET A 56 -11.552 -43.546 19.616 1.00 20.00 H new ATOM 0 HG3 MET A 56 -10.406 -43.065 18.380 1.00 20.00 H new ATOM 0 HE1 MET A 56 -10.100 -43.435 22.805 1.00 20.00 H new ATOM 0 HE2 MET A 56 -10.115 -41.677 22.529 1.00 20.00 H new ATOM 0 HE3 MET A 56 -11.437 -42.688 21.899 1.00 20.00 H new ATOM 1031 N ARG A 57 -8.363 -40.782 18.119 1.00 20.00 N ATOM 1032 CA ARG A 57 -6.949 -40.621 18.438 1.00 20.00 C ATOM 1033 C ARG A 57 -6.424 -39.294 17.903 1.00 20.00 C ATOM 1034 O ARG A 57 -5.608 -38.637 18.547 1.00 20.00 O ATOM 1035 CB ARG A 57 -6.126 -41.776 17.864 1.00 20.00 C ATOM 1036 CG ARG A 57 -6.489 -43.125 18.458 1.00 20.00 C ATOM 1037 CD ARG A 57 -5.726 -44.257 17.793 1.00 20.00 C ATOM 1038 NE ARG A 57 -4.291 -44.185 18.061 1.00 20.00 N ATOM 1039 CZ ARG A 57 -3.394 -45.008 17.522 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -3.770 -45.930 16.645 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -2.114 -44.896 17.847 1.00 20.00 N ATOM 0 H ARG A 57 -8.549 -41.382 17.315 1.00 20.00 H new ATOM 0 HA ARG A 57 -6.849 -40.627 19.523 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -6.268 -41.812 16.784 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -5.068 -41.582 18.040 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -6.275 -43.121 19.527 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -7.560 -43.294 18.348 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -6.113 -45.212 18.148 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -5.895 -44.225 16.717 1.00 20.00 H new ATOM 0 HE ARG A 57 -3.957 -43.462 18.698 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -4.752 -46.011 16.380 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -3.077 -46.557 16.236 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -1.817 -44.180 18.510 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -1.426 -45.526 17.435 1.00 20.00 H new ATOM 1055 N LYS A 58 -6.903 -38.895 16.729 1.00 20.00 N ATOM 1056 CA LYS A 58 -6.508 -37.616 16.146 1.00 20.00 C ATOM 1057 C LYS A 58 -7.422 -36.493 16.631 1.00 20.00 C ATOM 1058 O LYS A 58 -7.453 -35.406 16.050 1.00 20.00 O ATOM 1059 CB LYS A 58 -6.491 -37.685 14.616 1.00 20.00 C ATOM 1060 CG LYS A 58 -7.810 -38.106 13.988 1.00 20.00 C ATOM 1061 CD LYS A 58 -7.704 -38.131 12.473 1.00 20.00 C ATOM 1062 CE LYS A 58 -8.983 -38.635 11.823 1.00 20.00 C ATOM 1063 NZ LYS A 58 -8.928 -38.517 10.343 1.00 20.00 N ATOM 0 H LYS A 58 -7.561 -39.434 16.165 1.00 20.00 H new ATOM 0 HA LYS A 58 -5.494 -37.397 16.479 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -6.213 -36.707 14.224 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -5.716 -38.385 14.305 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -8.093 -39.093 14.353 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -8.598 -37.416 14.290 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -7.482 -37.128 12.108 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -6.871 -38.769 12.178 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -9.146 -39.677 12.100 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -9.833 -38.067 12.202 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -9.816 -38.870 9.933 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -8.797 -37.520 10.079 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -8.132 -39.079 9.979 1.00 20.00 H new ATOM 1077 N GLU A 59 -8.167 -36.782 17.694 1.00 20.00 N ATOM 1078 CA GLU A 59 -8.955 -35.782 18.416 1.00 20.00 C ATOM 1079 C GLU A 59 -10.052 -35.165 17.549 1.00 20.00 C ATOM 1080 O GLU A 59 -10.367 -33.988 17.702 1.00 20.00 O ATOM 1081 CB GLU A 59 -8.039 -34.677 18.954 1.00 20.00 C ATOM 1082 CG GLU A 59 -6.863 -35.198 19.764 1.00 20.00 C ATOM 1083 CD GLU A 59 -5.942 -34.090 20.224 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -5.366 -33.390 19.363 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -5.790 -33.908 21.449 1.00 20.00 O ATOM 0 H GLU A 59 -8.243 -37.722 18.083 1.00 20.00 H new ATOM 0 HA GLU A 59 -9.443 -36.297 19.244 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -7.661 -34.091 18.116 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -8.626 -34.001 19.576 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -7.236 -35.741 20.633 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -6.298 -35.910 19.162 1.00 20.00 H new ATOM 1092 N ARG A 60 -10.643 -35.977 16.664 1.00 20.00 N ATOM 1093 CA ARG A 60 -11.738 -35.534 15.788 1.00 20.00 C ATOM 1094 C ARG A 60 -11.272 -34.459 14.801 1.00 20.00 C ATOM 1095 O ARG A 60 -10.917 -33.349 15.194 1.00 20.00 O ATOM 1096 CB ARG A 60 -12.928 -34.997 16.601 1.00 20.00 C ATOM 1097 CG ARG A 60 -13.759 -36.061 17.314 1.00 20.00 C ATOM 1098 CD ARG A 60 -13.027 -36.683 18.495 1.00 20.00 C ATOM 1099 NE ARG A 60 -12.615 -35.687 19.486 1.00 20.00 N ATOM 1100 CZ ARG A 60 -11.976 -35.981 20.619 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -11.756 -37.247 20.953 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -11.578 -35.010 21.431 1.00 20.00 N ATOM 0 H ARG A 60 -10.379 -36.954 16.534 1.00 20.00 H new ATOM 0 HA ARG A 60 -12.060 -36.411 15.226 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -12.552 -34.294 17.344 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -13.581 -34.436 15.932 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -14.691 -35.615 17.663 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -14.026 -36.844 16.604 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -13.673 -37.420 18.972 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -12.148 -37.217 18.134 1.00 20.00 H new ATOM 0 HE ARG A 60 -12.830 -34.708 19.298 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -12.076 -37.999 20.342 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -11.267 -37.468 21.820 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -11.761 -34.036 21.189 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -11.089 -35.238 22.297 1.00 20.00 H new ATOM 1116 N SER A 61 -11.312 -34.773 13.516 1.00 20.00 N ATOM 1117 CA SER A 61 -10.835 -33.848 12.493 1.00 20.00 C ATOM 1118 C SER A 61 -11.922 -32.851 12.081 1.00 20.00 C ATOM 1119 O SER A 61 -12.021 -32.481 10.907 1.00 20.00 O ATOM 1120 CB SER A 61 -10.338 -34.631 11.278 1.00 20.00 C ATOM 1121 OG SER A 61 -9.333 -35.555 11.653 1.00 20.00 O ATOM 0 H SER A 61 -11.668 -35.658 13.154 1.00 20.00 H new ATOM 0 HA SER A 61 -10.010 -33.274 12.914 1.00 20.00 H new ATOM 0 HB2 SER A 61 -11.171 -35.160 10.815 1.00 20.00 H new ATOM 0 HB3 SER A 61 -9.944 -33.941 10.531 1.00 20.00 H new ATOM 0 HG SER A 61 -8.716 -35.689 10.904 1.00 20.00 H new ATOM 1127 N LYS A 62 -12.715 -32.415 13.064 1.00 20.00 N ATOM 1128 CA LYS A 62 -13.795 -31.450 12.850 1.00 20.00 C ATOM 1129 C LYS A 62 -14.826 -31.972 11.856 1.00 20.00 C ATOM 1130 O LYS A 62 -14.768 -31.677 10.663 1.00 20.00 O ATOM 1131 CB LYS A 62 -13.246 -30.099 12.370 1.00 20.00 C ATOM 1132 CG LYS A 62 -12.341 -29.401 13.374 1.00 20.00 C ATOM 1133 CD LYS A 62 -13.069 -29.111 14.676 1.00 20.00 C ATOM 1134 CE LYS A 62 -12.224 -28.262 15.613 1.00 20.00 C ATOM 1135 NZ LYS A 62 -11.993 -26.898 15.066 1.00 20.00 N ATOM 0 H LYS A 62 -12.625 -32.723 14.032 1.00 20.00 H new ATOM 0 HA LYS A 62 -14.287 -31.307 13.812 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -12.692 -30.253 11.444 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -14.083 -29.442 12.135 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -11.470 -30.025 13.575 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -11.973 -28.468 12.946 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -14.006 -28.596 14.463 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -13.326 -30.050 15.167 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -12.719 -28.186 16.581 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -11.266 -28.753 15.783 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -11.642 -26.276 15.822 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -11.290 -26.945 14.301 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -12.886 -26.518 14.692 1.00 20.00 H new ATOM 1149 N GLN A 63 -15.771 -32.752 12.349 1.00 20.00 N ATOM 1150 CA GLN A 63 -16.843 -33.254 11.511 1.00 20.00 C ATOM 1151 C GLN A 63 -18.134 -32.510 11.831 1.00 20.00 C ATOM 1152 O GLN A 63 -18.718 -32.758 12.909 1.00 20.00 O ATOM 1153 CB GLN A 63 -17.017 -34.764 11.700 1.00 20.00 C ATOM 1154 CG GLN A 63 -18.042 -35.380 10.765 1.00 20.00 C ATOM 1155 CD GLN A 63 -18.081 -36.892 10.854 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -17.078 -37.538 11.147 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -19.241 -37.469 10.592 1.00 20.00 N ATOM 1158 OXT GLN A 63 -18.543 -31.651 11.020 1.00 20.00 O ATOM 0 H GLN A 63 -15.817 -33.051 13.323 1.00 20.00 H new ATOM 0 HA GLN A 63 -16.589 -33.080 10.465 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -16.056 -35.254 11.545 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -17.313 -34.961 12.730 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -19.029 -34.981 11.000 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -17.816 -35.086 9.740 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -20.052 -36.898 10.352 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -19.325 -38.485 10.630 1.00 20.00 H new TER 1167 GLN A 63