USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 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 Single : A 1 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0569) USER MOD Single : A 2 ASN : amide:sc= 0.64 K(o=0.64,f=-6.2!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -163:sc= -0.134 (180deg=-0.596) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot -147:sc= 1.32 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ -129:sc=-0.00136 (180deg=-0.115) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0272 USER MOD Single : A 14 THR OG1 : rot 19:sc= 0.763 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 19 ASN : amide:sc= 1.12 K(o=1.1,f=-0.047) USER MOD Single : A 20 SER OG : rot 74:sc= 1.11 USER MOD Single : A 21 TYR OH : rot 30:sc= -0.746 USER MOD Single : A 22 ASN : amide:sc=-0.000789 X(o=-0.00079,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -131:sc= 0.988 (180deg=-1.28) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -121:sc= -0.545 (180deg=-0.789) USER MOD Single : A 55 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.039) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.516! C(o=-0.52!,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -21.414 8.253 29.427 1.00 20.00 N ATOM 2 CA MET A -7 -22.827 8.429 29.013 1.00 20.00 C ATOM 3 C MET A -7 -22.893 8.768 27.533 1.00 20.00 C ATOM 4 O MET A -7 -22.052 9.507 27.025 1.00 20.00 O ATOM 5 CB MET A -7 -23.497 9.546 29.821 1.00 20.00 C ATOM 6 CG MET A -7 -23.565 9.274 31.313 1.00 20.00 C ATOM 7 SD MET A -7 -24.361 10.614 32.223 1.00 20.00 S ATOM 8 CE MET A -7 -24.278 9.974 33.894 1.00 20.00 C ATOM 0 H1 MET A -7 -21.310 7.350 29.932 1.00 20.00 H new ATOM 0 H2 MET A -7 -20.803 8.251 28.585 1.00 20.00 H new ATOM 0 H3 MET A -7 -21.136 9.035 30.054 1.00 20.00 H new ATOM 0 HA MET A -7 -23.357 7.495 29.201 1.00 20.00 H new ATOM 0 HB2 MET A -7 -22.953 10.476 29.656 1.00 20.00 H new ATOM 0 HB3 MET A -7 -24.508 9.697 29.443 1.00 20.00 H new ATOM 0 HG2 MET A -7 -24.111 8.347 31.486 1.00 20.00 H new ATOM 0 HG3 MET A -7 -22.556 9.126 31.699 1.00 20.00 H new ATOM 0 HE1 MET A -7 -24.731 10.689 34.580 1.00 20.00 H new ATOM 0 HE2 MET A -7 -24.816 9.028 33.948 1.00 20.00 H new ATOM 0 HE3 MET A -7 -23.236 9.815 34.171 1.00 20.00 H new ATOM 20 N ASP A -6 -23.882 8.223 26.839 1.00 20.00 N ATOM 21 CA ASP A -6 -24.050 8.501 25.419 1.00 20.00 C ATOM 22 C ASP A -6 -25.490 8.874 25.101 1.00 20.00 C ATOM 23 O ASP A -6 -26.266 8.048 24.620 1.00 20.00 O ATOM 24 CB ASP A -6 -23.612 7.306 24.561 1.00 20.00 C ATOM 25 CG ASP A -6 -22.105 7.165 24.483 1.00 20.00 C ATOM 26 OD1 ASP A -6 -21.462 8.012 23.830 1.00 20.00 O ATOM 27 OD2 ASP A -6 -21.556 6.204 25.066 1.00 20.00 O ATOM 0 H ASP A -6 -24.577 7.589 27.233 1.00 20.00 H new ATOM 0 HA ASP A -6 -23.410 9.350 25.177 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -24.038 6.392 24.974 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -24.015 7.419 23.555 1.00 20.00 H new ATOM 32 N TYR A -5 -25.848 10.120 25.385 1.00 20.00 N ATOM 33 CA TYR A -5 -27.165 10.638 25.043 1.00 20.00 C ATOM 34 C TYR A -5 -27.094 12.141 24.809 1.00 20.00 C ATOM 35 O TYR A -5 -26.199 12.815 25.323 1.00 20.00 O ATOM 36 CB TYR A -5 -28.200 10.312 26.131 1.00 20.00 C ATOM 37 CG TYR A -5 -27.862 10.826 27.518 1.00 20.00 C ATOM 38 CD1 TYR A -5 -28.125 12.142 27.883 1.00 20.00 C ATOM 39 CD2 TYR A -5 -27.298 9.985 28.467 1.00 20.00 C ATOM 40 CE1 TYR A -5 -27.831 12.602 29.151 1.00 20.00 C ATOM 41 CE2 TYR A -5 -27.000 10.439 29.737 1.00 20.00 C ATOM 42 CZ TYR A -5 -27.268 11.747 30.074 1.00 20.00 C ATOM 43 OH TYR A -5 -26.977 12.199 31.343 1.00 20.00 O ATOM 0 H TYR A -5 -25.241 10.793 25.853 1.00 20.00 H new ATOM 0 HA TYR A -5 -27.488 10.150 24.124 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -29.162 10.728 25.831 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -28.322 9.230 26.182 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -28.566 12.815 27.163 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -27.088 8.958 28.208 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -28.041 13.627 29.419 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -26.559 9.771 30.462 1.00 20.00 H new ATOM 0 HH TYR A -5 -26.175 11.745 31.676 1.00 20.00 H new ATOM 53 N LYS A -4 -28.035 12.657 24.035 1.00 20.00 N ATOM 54 CA LYS A -4 -28.054 14.075 23.700 1.00 20.00 C ATOM 55 C LYS A -4 -29.482 14.569 23.496 1.00 20.00 C ATOM 56 O LYS A -4 -29.704 15.745 23.203 1.00 20.00 O ATOM 57 CB LYS A -4 -27.236 14.329 22.429 1.00 20.00 C ATOM 58 CG LYS A -4 -27.772 13.598 21.206 1.00 20.00 C ATOM 59 CD LYS A -4 -27.021 13.964 19.939 1.00 20.00 C ATOM 60 CE LYS A -4 -27.666 13.313 18.726 1.00 20.00 C ATOM 61 NZ LYS A -4 -26.929 13.610 17.471 1.00 20.00 N ATOM 0 H LYS A -4 -28.797 12.116 23.626 1.00 20.00 H new ATOM 0 HA LYS A -4 -27.612 14.623 24.532 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -27.220 15.400 22.225 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -26.205 14.022 22.603 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -27.702 12.523 21.369 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -28.829 13.833 21.080 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -27.012 15.047 19.815 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -25.982 13.644 20.021 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -27.708 12.234 18.874 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -28.694 13.662 18.633 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -27.405 13.146 16.671 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -26.911 14.638 17.314 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -25.955 13.254 17.548 1.00 20.00 H new ATOM 75 N ASP A -3 -30.446 13.672 23.644 1.00 20.00 N ATOM 76 CA ASP A -3 -31.838 14.007 23.376 1.00 20.00 C ATOM 77 C ASP A -3 -32.712 13.651 24.567 1.00 20.00 C ATOM 78 O ASP A -3 -32.723 12.504 25.016 1.00 20.00 O ATOM 79 CB ASP A -3 -32.360 13.258 22.142 1.00 20.00 C ATOM 80 CG ASP A -3 -31.538 13.497 20.893 1.00 20.00 C ATOM 81 OD1 ASP A -3 -31.797 14.486 20.176 1.00 20.00 O ATOM 82 OD2 ASP A -3 -30.640 12.678 20.610 1.00 20.00 O ATOM 0 H ASP A -3 -30.292 12.710 23.947 1.00 20.00 H new ATOM 0 HA ASP A -3 -31.884 15.080 23.191 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -32.377 12.189 22.356 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -33.390 13.561 21.952 1.00 20.00 H new ATOM 87 N ASP A -2 -33.423 14.636 25.091 1.00 20.00 N ATOM 88 CA ASP A -2 -34.427 14.387 26.113 1.00 20.00 C ATOM 89 C ASP A -2 -35.723 15.079 25.730 1.00 20.00 C ATOM 90 O ASP A -2 -36.703 14.415 25.391 1.00 20.00 O ATOM 91 CB ASP A -2 -33.952 14.845 27.496 1.00 20.00 C ATOM 92 CG ASP A -2 -32.803 14.011 28.021 1.00 20.00 C ATOM 93 OD1 ASP A -2 -33.048 12.875 28.488 1.00 20.00 O ATOM 94 OD2 ASP A -2 -31.651 14.485 27.982 1.00 20.00 O ATOM 0 H ASP A -2 -33.324 15.616 24.826 1.00 20.00 H new ATOM 0 HA ASP A -2 -34.597 13.312 26.174 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -33.644 15.889 27.443 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -34.784 14.793 28.198 1.00 20.00 H new ATOM 99 N ASP A -1 -35.716 16.413 25.749 1.00 20.00 N ATOM 100 CA ASP A -1 -36.854 17.200 25.264 1.00 20.00 C ATOM 101 C ASP A -1 -36.575 18.702 25.330 1.00 20.00 C ATOM 102 O ASP A -1 -36.859 19.421 24.376 1.00 20.00 O ATOM 103 CB ASP A -1 -38.153 16.869 26.025 1.00 20.00 C ATOM 104 CG ASP A -1 -38.180 17.374 27.455 1.00 20.00 C ATOM 105 OD1 ASP A -1 -37.582 16.719 28.336 1.00 20.00 O ATOM 106 OD2 ASP A -1 -38.822 18.414 27.707 1.00 20.00 O ATOM 0 H ASP A -1 -34.936 16.972 26.095 1.00 20.00 H new ATOM 0 HA ASP A -1 -36.994 16.922 24.219 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -38.997 17.297 25.484 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -38.293 15.788 26.030 1.00 20.00 H new ATOM 111 N ASP A 0 -35.997 19.171 26.434 1.00 20.00 N ATOM 112 CA ASP A 0 -35.808 20.612 26.649 1.00 20.00 C ATOM 113 C ASP A 0 -34.794 21.207 25.681 1.00 20.00 C ATOM 114 O ASP A 0 -35.019 22.275 25.114 1.00 20.00 O ATOM 115 CB ASP A 0 -35.359 20.910 28.085 1.00 20.00 C ATOM 116 CG ASP A 0 -36.470 20.757 29.103 1.00 20.00 C ATOM 117 OD1 ASP A 0 -37.419 21.570 29.087 1.00 20.00 O ATOM 118 OD2 ASP A 0 -36.394 19.832 29.939 1.00 20.00 O ATOM 0 H ASP A 0 -35.652 18.582 27.192 1.00 20.00 H new ATOM 0 HA ASP A 0 -36.778 21.075 26.469 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -34.539 20.241 28.348 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -34.969 21.927 28.133 1.00 20.00 H new ATOM 123 N LYS A 1 -33.681 20.517 25.496 1.00 20.00 N ATOM 124 CA LYS A 1 -32.595 21.022 24.661 1.00 20.00 C ATOM 125 C LYS A 1 -32.808 20.651 23.198 1.00 20.00 C ATOM 126 O LYS A 1 -32.021 21.031 22.332 1.00 20.00 O ATOM 127 CB LYS A 1 -31.251 20.468 25.144 1.00 20.00 C ATOM 128 CG LYS A 1 -30.840 20.961 26.524 1.00 20.00 C ATOM 129 CD LYS A 1 -29.569 20.272 26.996 1.00 20.00 C ATOM 130 CE LYS A 1 -29.126 20.773 28.362 1.00 20.00 C ATOM 131 NZ LYS A 1 -28.667 22.187 28.320 1.00 20.00 N ATOM 0 H LYS A 1 -33.502 19.603 25.912 1.00 20.00 H new ATOM 0 HA LYS A 1 -32.588 22.109 24.744 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -31.302 19.379 25.158 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -30.478 20.741 24.426 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -30.684 22.039 26.497 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -31.645 20.773 27.235 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -29.735 19.196 27.040 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -28.773 20.442 26.271 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -29.953 20.682 29.066 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -28.319 20.142 28.735 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -28.234 22.439 29.232 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -27.966 22.302 27.560 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -29.479 22.810 28.139 1.00 20.00 H new ATOM 145 N ASN A 2 -33.876 19.923 22.923 1.00 20.00 N ATOM 146 CA ASN A 2 -34.140 19.440 21.577 1.00 20.00 C ATOM 147 C ASN A 2 -35.624 19.550 21.245 1.00 20.00 C ATOM 148 O ASN A 2 -36.272 18.574 20.864 1.00 20.00 O ATOM 149 CB ASN A 2 -33.639 17.995 21.422 1.00 20.00 C ATOM 150 CG ASN A 2 -34.178 17.054 22.487 1.00 20.00 C ATOM 151 OD1 ASN A 2 -33.634 16.971 23.589 1.00 20.00 O ATOM 152 ND2 ASN A 2 -35.231 16.321 22.159 1.00 20.00 N ATOM 0 H ASN A 2 -34.576 19.653 23.614 1.00 20.00 H new ATOM 0 HA ASN A 2 -33.596 20.065 20.869 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -33.926 17.622 20.439 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -32.550 17.990 21.460 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -35.620 15.658 22.830 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -35.653 16.419 21.236 1.00 20.00 H new ATOM 159 N ARG A 3 -36.159 20.758 21.375 1.00 20.00 N ATOM 160 CA ARG A 3 -37.569 21.009 21.096 1.00 20.00 C ATOM 161 C ARG A 3 -37.788 21.204 19.600 1.00 20.00 C ATOM 162 O ARG A 3 -38.324 22.223 19.165 1.00 20.00 O ATOM 163 CB ARG A 3 -38.065 22.243 21.863 1.00 20.00 C ATOM 164 CG ARG A 3 -37.977 22.107 23.374 1.00 20.00 C ATOM 165 CD ARG A 3 -38.507 23.345 24.076 1.00 20.00 C ATOM 166 NE ARG A 3 -37.776 24.553 23.699 1.00 20.00 N ATOM 167 CZ ARG A 3 -38.011 25.757 24.218 1.00 20.00 C ATOM 168 NH1 ARG A 3 -38.965 25.920 25.125 1.00 20.00 N ATOM 169 NH2 ARG A 3 -37.295 26.798 23.821 1.00 20.00 N ATOM 0 H ARG A 3 -35.636 21.582 21.673 1.00 20.00 H new ATOM 0 HA ARG A 3 -38.140 20.142 21.428 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -37.482 23.110 21.552 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -39.101 22.439 21.586 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -38.545 21.234 23.695 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -36.940 21.938 23.665 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -39.563 23.472 23.836 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -38.440 23.205 25.155 1.00 20.00 H new ATOM 0 HE ARG A 3 -37.042 24.469 22.996 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -39.522 25.121 25.428 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -39.141 26.844 25.520 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -36.565 26.677 23.119 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -37.474 27.721 24.217 1.00 20.00 H new ATOM 183 N ALA A 4 -37.374 20.220 18.819 1.00 20.00 N ATOM 184 CA ALA A 4 -37.504 20.283 17.374 1.00 20.00 C ATOM 185 C ALA A 4 -38.919 19.923 16.943 1.00 20.00 C ATOM 186 O ALA A 4 -39.475 20.563 16.049 1.00 20.00 O ATOM 187 CB ALA A 4 -36.496 19.353 16.714 1.00 20.00 C ATOM 0 H ALA A 4 -36.942 19.363 19.165 1.00 20.00 H new ATOM 0 HA ALA A 4 -37.300 21.305 17.055 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -36.604 19.409 15.631 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -35.486 19.653 16.994 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -36.675 18.330 17.044 1.00 20.00 H new ATOM 193 N LEU A 5 -39.502 18.919 17.599 1.00 20.00 N ATOM 194 CA LEU A 5 -40.837 18.432 17.250 1.00 20.00 C ATOM 195 C LEU A 5 -40.926 18.160 15.752 1.00 20.00 C ATOM 196 O LEU A 5 -41.680 18.814 15.025 1.00 20.00 O ATOM 197 CB LEU A 5 -41.928 19.432 17.675 1.00 20.00 C ATOM 198 CG LEU A 5 -42.308 19.447 19.168 1.00 20.00 C ATOM 199 CD1 LEU A 5 -42.755 18.067 19.632 1.00 20.00 C ATOM 200 CD2 LEU A 5 -41.162 19.957 20.030 1.00 20.00 C ATOM 0 H LEU A 5 -39.068 18.425 18.379 1.00 20.00 H new ATOM 0 HA LEU A 5 -41.005 17.501 17.792 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -41.599 20.433 17.397 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -42.828 19.221 17.097 1.00 20.00 H new ATOM 0 HG LEU A 5 -43.145 20.135 19.284 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -43.017 18.106 20.689 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -43.624 17.753 19.054 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -41.944 17.354 19.485 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -41.465 19.954 21.077 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -40.294 19.310 19.902 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -40.905 20.973 19.730 1.00 20.00 H new ATOM 212 N SER A 6 -40.131 17.210 15.297 1.00 20.00 N ATOM 213 CA SER A 6 -40.081 16.861 13.892 1.00 20.00 C ATOM 214 C SER A 6 -40.059 15.344 13.728 1.00 20.00 C ATOM 215 O SER A 6 -38.990 14.737 13.640 1.00 20.00 O ATOM 216 CB SER A 6 -38.842 17.489 13.249 1.00 20.00 C ATOM 217 OG SER A 6 -38.759 18.875 13.551 1.00 20.00 O ATOM 0 H SER A 6 -39.506 16.662 15.888 1.00 20.00 H new ATOM 0 HA SER A 6 -40.970 17.247 13.394 1.00 20.00 H new ATOM 0 HB2 SER A 6 -37.946 16.981 13.606 1.00 20.00 H new ATOM 0 HB3 SER A 6 -38.879 17.350 12.169 1.00 20.00 H new ATOM 0 HG SER A 6 -37.959 19.254 13.131 1.00 20.00 H new ATOM 223 N PRO A 7 -41.242 14.710 13.694 1.00 20.00 N ATOM 224 CA PRO A 7 -41.366 13.254 13.584 1.00 20.00 C ATOM 225 C PRO A 7 -41.057 12.743 12.178 1.00 20.00 C ATOM 226 O PRO A 7 -41.853 12.022 11.577 1.00 20.00 O ATOM 227 CB PRO A 7 -42.837 12.974 13.938 1.00 20.00 C ATOM 228 CG PRO A 7 -43.422 14.284 14.362 1.00 20.00 C ATOM 229 CD PRO A 7 -42.555 15.358 13.768 1.00 20.00 C ATOM 0 HA PRO A 7 -40.656 12.747 14.237 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -43.373 12.568 13.080 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -42.911 12.238 14.738 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -44.450 14.380 14.013 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -43.446 14.363 15.449 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -42.910 15.667 12.785 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -42.531 16.251 14.393 1.00 20.00 H new ATOM 237 N MET A 8 -39.898 13.120 11.657 1.00 20.00 N ATOM 238 CA MET A 8 -39.477 12.688 10.331 1.00 20.00 C ATOM 239 C MET A 8 -38.085 12.085 10.380 1.00 20.00 C ATOM 240 O MET A 8 -37.476 11.821 9.345 1.00 20.00 O ATOM 241 CB MET A 8 -39.487 13.854 9.338 1.00 20.00 C ATOM 242 CG MET A 8 -40.874 14.388 9.024 1.00 20.00 C ATOM 243 SD MET A 8 -40.856 15.675 7.757 1.00 20.00 S ATOM 244 CE MET A 8 -39.806 16.899 8.538 1.00 20.00 C ATOM 0 H MET A 8 -39.230 13.726 12.134 1.00 20.00 H new ATOM 0 HA MET A 8 -40.188 11.933 9.995 1.00 20.00 H new ATOM 0 HB2 MET A 8 -38.879 14.665 9.740 1.00 20.00 H new ATOM 0 HB3 MET A 8 -39.015 13.531 8.410 1.00 20.00 H new ATOM 0 HG2 MET A 8 -41.509 13.566 8.692 1.00 20.00 H new ATOM 0 HG3 MET A 8 -41.320 14.787 9.935 1.00 20.00 H new ATOM 0 HE1 MET A 8 -39.934 17.860 8.039 1.00 20.00 H new ATOM 0 HE2 MET A 8 -40.080 16.996 9.589 1.00 20.00 H new ATOM 0 HE3 MET A 8 -38.764 16.587 8.462 1.00 20.00 H new ATOM 254 N VAL A 9 -37.583 11.867 11.584 1.00 20.00 N ATOM 255 CA VAL A 9 -36.245 11.325 11.751 1.00 20.00 C ATOM 256 C VAL A 9 -36.246 9.817 11.534 1.00 20.00 C ATOM 257 O VAL A 9 -37.008 9.081 12.161 1.00 20.00 O ATOM 258 CB VAL A 9 -35.635 11.667 13.133 1.00 20.00 C ATOM 259 CG1 VAL A 9 -35.368 13.159 13.238 1.00 20.00 C ATOM 260 CG2 VAL A 9 -36.537 11.215 14.272 1.00 20.00 C ATOM 0 H VAL A 9 -38.078 12.056 12.455 1.00 20.00 H new ATOM 0 HA VAL A 9 -35.617 11.796 10.995 1.00 20.00 H new ATOM 0 HB VAL A 9 -34.692 11.127 13.220 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -34.939 13.384 14.215 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -34.669 13.459 12.457 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -36.303 13.705 13.118 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -36.076 11.472 15.225 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -37.503 11.713 14.190 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -36.679 10.136 14.217 1.00 20.00 H new ATOM 270 N SER A 10 -35.420 9.367 10.608 1.00 20.00 N ATOM 271 CA SER A 10 -35.310 7.950 10.299 1.00 20.00 C ATOM 272 C SER A 10 -33.914 7.639 9.775 1.00 20.00 C ATOM 273 O SER A 10 -33.738 7.182 8.646 1.00 20.00 O ATOM 274 CB SER A 10 -36.377 7.539 9.280 1.00 20.00 C ATOM 275 OG SER A 10 -37.683 7.767 9.791 1.00 20.00 O ATOM 0 H SER A 10 -34.810 9.966 10.052 1.00 20.00 H new ATOM 0 HA SER A 10 -35.475 7.376 11.211 1.00 20.00 H new ATOM 0 HB2 SER A 10 -36.240 8.103 8.357 1.00 20.00 H new ATOM 0 HB3 SER A 10 -36.259 6.485 9.030 1.00 20.00 H new ATOM 0 HG SER A 10 -38.347 7.499 9.122 1.00 20.00 H new ATOM 281 N GLU A 11 -32.927 7.904 10.614 1.00 20.00 N ATOM 282 CA GLU A 11 -31.531 7.702 10.264 1.00 20.00 C ATOM 283 C GLU A 11 -30.952 6.545 11.068 1.00 20.00 C ATOM 284 O GLU A 11 -31.573 6.093 12.030 1.00 20.00 O ATOM 285 CB GLU A 11 -30.746 8.990 10.526 1.00 20.00 C ATOM 286 CG GLU A 11 -30.989 9.573 11.906 1.00 20.00 C ATOM 287 CD GLU A 11 -30.341 10.928 12.089 1.00 20.00 C ATOM 288 OE1 GLU A 11 -30.827 11.911 11.491 1.00 20.00 O ATOM 289 OE2 GLU A 11 -29.355 11.021 12.848 1.00 20.00 O ATOM 0 H GLU A 11 -33.071 8.265 11.557 1.00 20.00 H new ATOM 0 HA GLU A 11 -31.455 7.453 9.205 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -29.681 8.789 10.407 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -31.016 9.731 9.774 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -32.062 9.662 12.075 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -30.604 8.886 12.659 1.00 20.00 H new ATOM 296 N PHE A 12 -29.775 6.075 10.654 1.00 20.00 N ATOM 297 CA PHE A 12 -29.072 4.981 11.327 1.00 20.00 C ATOM 298 C PHE A 12 -29.814 3.654 11.166 1.00 20.00 C ATOM 299 O PHE A 12 -30.945 3.501 11.635 1.00 20.00 O ATOM 300 CB PHE A 12 -28.862 5.306 12.811 1.00 20.00 C ATOM 301 CG PHE A 12 -28.172 4.214 13.587 1.00 20.00 C ATOM 302 CD1 PHE A 12 -26.792 4.081 13.546 1.00 20.00 C ATOM 303 CD2 PHE A 12 -28.904 3.324 14.361 1.00 20.00 C ATOM 304 CE1 PHE A 12 -26.159 3.083 14.261 1.00 20.00 C ATOM 305 CE2 PHE A 12 -28.273 2.325 15.076 1.00 20.00 C ATOM 306 CZ PHE A 12 -26.901 2.205 15.026 1.00 20.00 C ATOM 0 H PHE A 12 -29.281 6.443 9.841 1.00 20.00 H new ATOM 0 HA PHE A 12 -28.096 4.874 10.853 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -28.276 6.221 12.892 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -29.831 5.506 13.269 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -26.207 4.765 12.949 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -29.979 3.414 14.405 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -25.084 2.989 14.222 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -28.854 1.638 15.674 1.00 20.00 H new ATOM 0 HZ PHE A 12 -26.406 1.424 15.585 1.00 20.00 H new ATOM 316 N GLU A 13 -29.169 2.710 10.479 1.00 20.00 N ATOM 317 CA GLU A 13 -29.692 1.354 10.316 1.00 20.00 C ATOM 318 C GLU A 13 -30.940 1.340 9.417 1.00 20.00 C ATOM 319 O GLU A 13 -31.431 2.393 8.998 1.00 20.00 O ATOM 320 CB GLU A 13 -29.987 0.748 11.700 1.00 20.00 C ATOM 321 CG GLU A 13 -30.412 -0.709 11.676 1.00 20.00 C ATOM 322 CD GLU A 13 -30.586 -1.286 13.059 1.00 20.00 C ATOM 323 OE1 GLU A 13 -31.515 -0.862 13.774 1.00 20.00 O ATOM 324 OE2 GLU A 13 -29.797 -2.177 13.430 1.00 20.00 O ATOM 0 H GLU A 13 -28.271 2.864 10.021 1.00 20.00 H new ATOM 0 HA GLU A 13 -28.939 0.742 9.819 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -29.096 0.842 12.321 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -30.772 1.334 12.178 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -31.349 -0.801 11.127 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -29.667 -1.292 11.134 1.00 20.00 H new ATOM 331 N THR A 14 -31.407 0.133 9.094 1.00 20.00 N ATOM 332 CA THR A 14 -32.628 -0.091 8.315 1.00 20.00 C ATOM 333 C THR A 14 -32.581 0.611 6.961 1.00 20.00 C ATOM 334 O THR A 14 -33.438 1.436 6.634 1.00 20.00 O ATOM 335 CB THR A 14 -33.919 0.307 9.084 1.00 20.00 C ATOM 336 OG1 THR A 14 -33.847 1.656 9.571 1.00 20.00 O ATOM 337 CG2 THR A 14 -34.167 -0.637 10.252 1.00 20.00 C ATOM 0 H THR A 14 -30.941 -0.731 9.370 1.00 20.00 H new ATOM 0 HA THR A 14 -32.669 -1.167 8.143 1.00 20.00 H new ATOM 0 HB THR A 14 -34.747 0.234 8.378 1.00 20.00 H new ATOM 0 HG1 THR A 14 -33.158 2.146 9.076 1.00 20.00 H new ATOM 0 HG21 THR A 14 -35.076 -0.338 10.775 1.00 20.00 H new ATOM 0 HG22 THR A 14 -34.281 -1.655 9.879 1.00 20.00 H new ATOM 0 HG23 THR A 14 -33.322 -0.595 10.940 1.00 20.00 H new ATOM 345 N ILE A 15 -31.568 0.267 6.175 1.00 20.00 N ATOM 346 CA ILE A 15 -31.413 0.811 4.836 1.00 20.00 C ATOM 347 C ILE A 15 -31.047 -0.280 3.842 1.00 20.00 C ATOM 348 O ILE A 15 -30.587 -1.355 4.236 1.00 20.00 O ATOM 349 CB ILE A 15 -30.350 1.923 4.773 1.00 20.00 C ATOM 350 CG1 ILE A 15 -29.059 1.469 5.455 1.00 20.00 C ATOM 351 CG2 ILE A 15 -30.881 3.198 5.404 1.00 20.00 C ATOM 352 CD1 ILE A 15 -27.933 2.471 5.357 1.00 20.00 C ATOM 0 H ILE A 15 -30.838 -0.391 6.447 1.00 20.00 H new ATOM 0 HA ILE A 15 -32.378 1.243 4.571 1.00 20.00 H new ATOM 0 HB ILE A 15 -30.123 2.131 3.727 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -29.265 1.270 6.507 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -28.735 0.528 5.010 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -30.118 3.975 5.352 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -31.771 3.527 4.867 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -31.136 3.009 6.447 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -27.051 2.078 5.864 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -27.698 2.653 4.308 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -28.236 3.406 5.828 1.00 20.00 H new ATOM 364 N GLU A 16 -31.251 0.001 2.565 1.00 20.00 N ATOM 365 CA GLU A 16 -31.033 -0.977 1.505 1.00 20.00 C ATOM 366 C GLU A 16 -29.622 -1.576 1.553 1.00 20.00 C ATOM 367 O GLU A 16 -29.471 -2.793 1.649 1.00 20.00 O ATOM 368 CB GLU A 16 -31.324 -0.356 0.123 1.00 20.00 C ATOM 369 CG GLU A 16 -30.380 0.766 -0.311 1.00 20.00 C ATOM 370 CD GLU A 16 -30.372 1.953 0.632 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.352 2.726 0.637 1.00 20.00 O ATOM 372 OE2 GLU A 16 -29.386 2.109 1.383 1.00 20.00 O ATOM 0 H GLU A 16 -31.572 0.910 2.232 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.732 -1.797 1.670 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.287 -1.147 -0.626 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.343 0.032 0.126 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -29.368 0.368 -0.389 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -30.667 1.106 -1.306 1.00 20.00 H new ATOM 379 N GLN A 17 -28.600 -0.723 1.537 1.00 20.00 N ATOM 380 CA GLN A 17 -27.215 -1.186 1.449 1.00 20.00 C ATOM 381 C GLN A 17 -26.799 -1.980 2.686 1.00 20.00 C ATOM 382 O GLN A 17 -25.933 -2.852 2.609 1.00 20.00 O ATOM 383 CB GLN A 17 -26.259 -0.008 1.224 1.00 20.00 C ATOM 384 CG GLN A 17 -26.252 1.017 2.347 1.00 20.00 C ATOM 385 CD GLN A 17 -25.303 2.165 2.070 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.063 2.521 0.916 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.758 2.758 3.121 1.00 20.00 N ATOM 0 H GLN A 17 -28.703 0.291 1.584 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.154 -1.856 0.591 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.248 -0.395 1.095 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.530 0.492 0.294 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -27.260 1.407 2.486 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.967 0.530 3.279 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -24.982 2.434 4.062 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.115 3.539 2.990 1.00 20.00 H new ATOM 396 N GLU A 18 -27.424 -1.690 3.818 1.00 20.00 N ATOM 397 CA GLU A 18 -27.127 -2.410 5.051 1.00 20.00 C ATOM 398 C GLU A 18 -27.735 -3.807 4.994 1.00 20.00 C ATOM 399 O GLU A 18 -27.069 -4.801 5.285 1.00 20.00 O ATOM 400 CB GLU A 18 -27.655 -1.643 6.270 1.00 20.00 C ATOM 401 CG GLU A 18 -27.389 -2.332 7.601 1.00 20.00 C ATOM 402 CD GLU A 18 -27.977 -1.576 8.773 1.00 20.00 C ATOM 403 OE1 GLU A 18 -29.209 -1.647 8.967 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.211 -0.909 9.503 1.00 20.00 O ATOM 0 H GLU A 18 -28.136 -0.966 3.910 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.045 -2.498 5.152 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.199 -0.653 6.288 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.729 -1.497 6.157 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.807 -3.338 7.575 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.313 -2.437 7.743 1.00 20.00 H new ATOM 411 N ASN A 19 -28.993 -3.875 4.579 1.00 20.00 N ATOM 412 CA ASN A 19 -29.691 -5.152 4.469 1.00 20.00 C ATOM 413 C ASN A 19 -29.093 -5.994 3.349 1.00 20.00 C ATOM 414 O ASN A 19 -28.996 -7.215 3.463 1.00 20.00 O ATOM 415 CB ASN A 19 -31.192 -4.946 4.229 1.00 20.00 C ATOM 416 CG ASN A 19 -31.931 -4.484 5.473 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.395 -5.299 6.269 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.058 -3.177 5.651 1.00 20.00 N ATOM 0 H ASN A 19 -29.551 -3.064 4.313 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.566 -5.681 5.414 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.331 -4.211 3.436 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.630 -5.880 3.878 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.553 -2.819 6.468 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.661 -2.529 4.971 1.00 20.00 H new ATOM 425 N SER A 20 -28.669 -5.333 2.276 1.00 20.00 N ATOM 426 CA SER A 20 -28.050 -6.022 1.152 1.00 20.00 C ATOM 427 C SER A 20 -26.742 -6.677 1.577 1.00 20.00 C ATOM 428 O SER A 20 -26.398 -7.757 1.104 1.00 20.00 O ATOM 429 CB SER A 20 -27.807 -5.050 -0.009 1.00 20.00 C ATOM 430 OG SER A 20 -29.032 -4.500 -0.472 1.00 20.00 O ATOM 0 H SER A 20 -28.743 -4.322 2.163 1.00 20.00 H new ATOM 0 HA SER A 20 -28.732 -6.802 0.814 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.143 -4.249 0.315 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.305 -5.570 -0.825 1.00 20.00 H new ATOM 0 HG SER A 20 -29.362 -3.844 0.177 1.00 20.00 H new ATOM 436 N TYR A 21 -26.025 -6.036 2.492 1.00 20.00 N ATOM 437 CA TYR A 21 -24.768 -6.582 2.980 1.00 20.00 C ATOM 438 C TYR A 21 -25.039 -7.815 3.835 1.00 20.00 C ATOM 439 O TYR A 21 -24.253 -8.766 3.848 1.00 20.00 O ATOM 440 CB TYR A 21 -23.995 -5.531 3.782 1.00 20.00 C ATOM 441 CG TYR A 21 -22.543 -5.898 4.014 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.579 -5.626 3.050 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.138 -6.522 5.189 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.255 -5.963 3.249 1.00 20.00 C ATOM 445 CE2 TYR A 21 -20.814 -6.861 5.395 1.00 20.00 C ATOM 446 CZ TYR A 21 -19.878 -6.581 4.421 1.00 20.00 C ATOM 447 OH TYR A 21 -18.560 -6.920 4.621 1.00 20.00 O ATOM 0 H TYR A 21 -26.291 -5.144 2.908 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.155 -6.870 2.126 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.041 -4.577 3.256 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.484 -5.388 4.745 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.871 -5.143 2.129 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -22.869 -6.745 5.952 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.519 -5.743 2.490 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -20.514 -7.343 6.314 1.00 20.00 H new ATOM 0 HH TYR A 21 -17.983 -6.288 4.143 1.00 20.00 H new ATOM 457 N ASN A 22 -26.170 -7.804 4.529 1.00 20.00 N ATOM 458 CA ASN A 22 -26.575 -8.943 5.343 1.00 20.00 C ATOM 459 C ASN A 22 -26.962 -10.113 4.444 1.00 20.00 C ATOM 460 O ASN A 22 -26.755 -11.275 4.794 1.00 20.00 O ATOM 461 CB ASN A 22 -27.741 -8.570 6.265 1.00 20.00 C ATOM 462 CG ASN A 22 -28.055 -9.660 7.275 1.00 20.00 C ATOM 463 OD1 ASN A 22 -27.477 -9.696 8.361 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.975 -10.551 6.934 1.00 20.00 N ATOM 0 H ASN A 22 -26.822 -7.020 4.545 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.732 -9.238 5.968 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.501 -7.647 6.794 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.627 -8.371 5.662 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.225 -11.299 7.581 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.433 -10.489 6.025 1.00 20.00 H new ATOM 471 N GLU A 23 -27.512 -9.798 3.273 1.00 20.00 N ATOM 472 CA GLU A 23 -27.831 -10.816 2.278 1.00 20.00 C ATOM 473 C GLU A 23 -26.566 -11.538 1.831 1.00 20.00 C ATOM 474 O GLU A 23 -26.585 -12.741 1.561 1.00 20.00 O ATOM 475 CB GLU A 23 -28.528 -10.200 1.061 1.00 20.00 C ATOM 476 CG GLU A 23 -29.917 -9.657 1.350 1.00 20.00 C ATOM 477 CD GLU A 23 -30.626 -9.184 0.098 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.095 -10.040 -0.686 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.721 -7.959 -0.114 1.00 20.00 O ATOM 0 H GLU A 23 -27.745 -8.846 2.991 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.510 -11.532 2.742 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -27.908 -9.393 0.671 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.600 -10.954 0.277 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.514 -10.432 1.831 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.841 -8.829 2.055 1.00 20.00 H new ATOM 486 N TRP A 24 -25.469 -10.797 1.752 1.00 20.00 N ATOM 487 CA TRP A 24 -24.176 -11.377 1.411 1.00 20.00 C ATOM 488 C TRP A 24 -23.658 -12.231 2.563 1.00 20.00 C ATOM 489 O TRP A 24 -23.040 -13.270 2.349 1.00 20.00 O ATOM 490 CB TRP A 24 -23.162 -10.280 1.060 1.00 20.00 C ATOM 491 CG TRP A 24 -23.410 -9.624 -0.268 1.00 20.00 C ATOM 492 CD1 TRP A 24 -24.603 -9.174 -0.750 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.436 -9.338 -1.279 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.434 -8.625 -1.997 1.00 20.00 N ATOM 495 CE2 TRP A 24 -23.112 -8.716 -2.345 1.00 20.00 C ATOM 496 CE3 TRP A 24 -21.060 -9.548 -1.387 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -22.457 -8.303 -3.504 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -20.411 -9.138 -2.536 1.00 20.00 C ATOM 499 CH2 TRP A 24 -21.109 -8.521 -3.580 1.00 20.00 C ATOM 0 H TRP A 24 -25.448 -9.791 1.920 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.307 -12.013 0.535 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.181 -9.518 1.840 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.161 -10.711 1.060 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -25.545 -9.240 -0.226 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -25.172 -8.216 -2.570 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -20.512 -10.023 -0.586 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -22.994 -7.828 -4.312 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.347 -9.297 -2.630 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -20.572 -8.210 -4.464 1.00 20.00 H new ATOM 510 N LEU A 25 -23.940 -11.793 3.787 1.00 20.00 N ATOM 511 CA LEU A 25 -23.539 -12.531 4.983 1.00 20.00 C ATOM 512 C LEU A 25 -24.315 -13.847 5.057 1.00 20.00 C ATOM 513 O LEU A 25 -23.768 -14.894 5.401 1.00 20.00 O ATOM 514 CB LEU A 25 -23.808 -11.681 6.236 1.00 20.00 C ATOM 515 CG LEU A 25 -22.784 -11.791 7.380 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.632 -13.227 7.859 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.439 -11.220 6.952 1.00 20.00 C ATOM 0 H LEU A 25 -24.446 -10.928 3.978 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.473 -12.751 4.933 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.867 -10.636 5.932 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.787 -11.955 6.629 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.160 -11.204 8.218 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.901 -13.266 8.667 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -23.593 -13.593 8.221 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -22.293 -13.852 7.033 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -20.729 -11.307 7.774 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.066 -11.774 6.090 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.558 -10.170 6.685 1.00 20.00 H new ATOM 529 N ARG A 26 -25.594 -13.786 4.715 1.00 20.00 N ATOM 530 CA ARG A 26 -26.444 -14.970 4.692 1.00 20.00 C ATOM 531 C ARG A 26 -25.996 -15.935 3.595 1.00 20.00 C ATOM 532 O ARG A 26 -26.166 -17.150 3.707 1.00 20.00 O ATOM 533 CB ARG A 26 -27.904 -14.556 4.475 1.00 20.00 C ATOM 534 CG ARG A 26 -28.893 -15.712 4.515 1.00 20.00 C ATOM 535 CD ARG A 26 -30.321 -15.226 4.317 1.00 20.00 C ATOM 536 NE ARG A 26 -30.503 -14.549 3.032 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.417 -13.602 2.811 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.230 -13.214 3.786 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.515 -13.041 1.613 1.00 20.00 N ATOM 0 H ARG A 26 -26.069 -12.924 4.448 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.358 -15.482 5.650 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.181 -13.829 5.238 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.988 -14.054 3.511 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.642 -16.435 3.739 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.812 -16.229 5.471 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -31.003 -16.074 4.378 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.586 -14.544 5.125 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.894 -14.817 2.259 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.158 -13.640 4.710 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.927 -12.490 3.611 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.892 -13.333 0.860 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.214 -12.317 1.444 1.00 20.00 H new ATOM 553 N ALA A 27 -25.386 -15.388 2.552 1.00 20.00 N ATOM 554 CA ALA A 27 -24.931 -16.182 1.418 1.00 20.00 C ATOM 555 C ALA A 27 -23.577 -16.825 1.697 1.00 20.00 C ATOM 556 O ALA A 27 -23.026 -17.530 0.850 1.00 20.00 O ATOM 557 CB ALA A 27 -24.854 -15.318 0.171 1.00 20.00 C ATOM 0 H ALA A 27 -25.194 -14.390 2.468 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.654 -16.981 1.256 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.513 -15.922 -0.670 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.840 -14.911 -0.051 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.153 -14.500 0.338 1.00 20.00 H new ATOM 563 N LYS A 28 -23.042 -16.573 2.885 1.00 20.00 N ATOM 564 CA LYS A 28 -21.751 -17.125 3.274 1.00 20.00 C ATOM 565 C LYS A 28 -21.913 -18.509 3.887 1.00 20.00 C ATOM 566 O LYS A 28 -20.935 -19.232 4.086 1.00 20.00 O ATOM 567 CB LYS A 28 -21.049 -16.196 4.262 1.00 20.00 C ATOM 568 CG LYS A 28 -20.669 -14.852 3.665 1.00 20.00 C ATOM 569 CD LYS A 28 -19.964 -13.975 4.682 1.00 20.00 C ATOM 570 CE LYS A 28 -19.556 -12.641 4.078 1.00 20.00 C ATOM 571 NZ LYS A 28 -18.717 -12.816 2.866 1.00 20.00 N ATOM 0 H LYS A 28 -23.483 -15.989 3.596 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.140 -17.215 2.376 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.701 -16.032 5.120 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.150 -16.687 4.634 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.020 -15.005 2.803 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.564 -14.346 3.304 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -20.621 -13.804 5.535 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.081 -14.491 5.059 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -20.449 -12.070 3.822 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -19.007 -12.060 4.819 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.872 -12.214 2.939 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -18.427 -13.811 2.785 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -19.263 -12.545 2.024 1.00 20.00 H new ATOM 585 N VAL A 29 -23.151 -18.869 4.191 1.00 20.00 N ATOM 586 CA VAL A 29 -23.448 -20.193 4.710 1.00 20.00 C ATOM 587 C VAL A 29 -23.182 -21.240 3.634 1.00 20.00 C ATOM 588 O VAL A 29 -22.629 -22.302 3.921 1.00 20.00 O ATOM 589 CB VAL A 29 -24.909 -20.300 5.196 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.197 -21.691 5.738 1.00 20.00 C ATOM 591 CG2 VAL A 29 -25.200 -19.243 6.252 1.00 20.00 C ATOM 0 H VAL A 29 -23.965 -18.263 4.087 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.798 -20.371 5.567 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.565 -20.125 4.343 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.232 -21.743 6.075 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.033 -22.429 4.952 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.532 -21.900 6.576 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -26.235 -19.334 6.583 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -24.533 -19.385 7.103 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -25.041 -18.252 5.828 1.00 20.00 H new ATOM 601 N ALA A 30 -23.555 -20.902 2.399 1.00 20.00 N ATOM 602 CA ALA A 30 -23.323 -21.750 1.227 1.00 20.00 C ATOM 603 C ALA A 30 -24.174 -23.017 1.250 1.00 20.00 C ATOM 604 O ALA A 30 -23.967 -23.913 2.074 1.00 20.00 O ATOM 605 CB ALA A 30 -21.847 -22.099 1.087 1.00 20.00 C ATOM 0 H ALA A 30 -24.030 -20.026 2.181 1.00 20.00 H new ATOM 0 HA ALA A 30 -23.628 -21.171 0.355 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -21.704 -22.729 0.209 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -21.266 -21.184 0.976 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -21.514 -22.634 1.976 1.00 20.00 H new ATOM 611 N THR A 31 -25.126 -23.090 0.329 1.00 20.00 N ATOM 612 CA THR A 31 -25.977 -24.262 0.186 1.00 20.00 C ATOM 613 C THR A 31 -25.227 -25.396 -0.514 1.00 20.00 C ATOM 614 O THR A 31 -25.605 -25.841 -1.598 1.00 20.00 O ATOM 615 CB THR A 31 -27.259 -23.919 -0.594 1.00 20.00 C ATOM 616 OG1 THR A 31 -26.951 -23.015 -1.667 1.00 20.00 O ATOM 617 CG2 THR A 31 -28.305 -23.299 0.320 1.00 20.00 C ATOM 0 H THR A 31 -25.329 -22.343 -0.336 1.00 20.00 H new ATOM 0 HA THR A 31 -26.257 -24.593 1.186 1.00 20.00 H new ATOM 0 HB THR A 31 -27.667 -24.843 -1.003 1.00 20.00 H new ATOM 0 HG1 THR A 31 -27.770 -22.802 -2.161 1.00 20.00 H new ATOM 0 HG21 THR A 31 -29.200 -23.066 -0.257 1.00 20.00 H new ATOM 0 HG22 THR A 31 -28.557 -24.002 1.114 1.00 20.00 H new ATOM 0 HG23 THR A 31 -27.908 -22.384 0.759 1.00 20.00 H new ATOM 625 N SER A 32 -24.150 -25.846 0.111 1.00 20.00 N ATOM 626 CA SER A 32 -23.332 -26.915 -0.433 1.00 20.00 C ATOM 627 C SER A 32 -23.408 -28.142 0.470 1.00 20.00 C ATOM 628 O SER A 32 -22.412 -28.822 0.712 1.00 20.00 O ATOM 629 CB SER A 32 -21.886 -26.434 -0.566 1.00 20.00 C ATOM 630 OG SER A 32 -21.838 -25.166 -1.202 1.00 20.00 O ATOM 0 H SER A 32 -23.821 -25.482 1.005 1.00 20.00 H new ATOM 0 HA SER A 32 -23.704 -27.191 -1.419 1.00 20.00 H new ATOM 0 HB2 SER A 32 -21.426 -26.370 0.420 1.00 20.00 H new ATOM 0 HB3 SER A 32 -21.308 -27.157 -1.141 1.00 20.00 H new ATOM 0 HG SER A 32 -20.906 -24.873 -1.277 1.00 20.00 H new ATOM 636 N LEU A 33 -24.600 -28.412 0.982 1.00 20.00 N ATOM 637 CA LEU A 33 -24.802 -29.541 1.879 1.00 20.00 C ATOM 638 C LEU A 33 -25.389 -30.719 1.115 1.00 20.00 C ATOM 639 O LEU A 33 -25.265 -31.873 1.530 1.00 20.00 O ATOM 640 CB LEU A 33 -25.732 -29.167 3.047 1.00 20.00 C ATOM 641 CG LEU A 33 -25.276 -28.008 3.950 1.00 20.00 C ATOM 642 CD1 LEU A 33 -23.799 -28.123 4.299 1.00 20.00 C ATOM 643 CD2 LEU A 33 -25.577 -26.658 3.310 1.00 20.00 C ATOM 0 H LEU A 33 -25.441 -27.866 0.792 1.00 20.00 H new ATOM 0 HA LEU A 33 -23.831 -29.820 2.289 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -26.709 -28.914 2.636 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -25.868 -30.051 3.670 1.00 20.00 H new ATOM 0 HG LEU A 33 -25.844 -28.076 4.878 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -23.510 -27.288 4.938 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -23.621 -29.061 4.825 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -23.206 -28.102 3.384 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -25.243 -25.859 3.972 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -25.053 -26.582 2.357 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -26.650 -26.566 3.143 1.00 20.00 H new ATOM 655 N ALA A 34 -26.023 -30.421 -0.009 1.00 20.00 N ATOM 656 CA ALA A 34 -26.656 -31.443 -0.824 1.00 20.00 C ATOM 657 C ALA A 34 -26.325 -31.244 -2.297 1.00 20.00 C ATOM 658 O ALA A 34 -27.166 -30.800 -3.080 1.00 20.00 O ATOM 659 CB ALA A 34 -28.163 -31.427 -0.609 1.00 20.00 C ATOM 0 H ALA A 34 -26.112 -29.474 -0.378 1.00 20.00 H new ATOM 0 HA ALA A 34 -26.269 -32.415 -0.519 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -28.627 -32.197 -1.225 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -28.383 -31.621 0.441 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -28.560 -30.451 -0.889 1.00 20.00 H new ATOM 665 N ASP A 35 -25.092 -31.559 -2.666 1.00 20.00 N ATOM 666 CA ASP A 35 -24.664 -31.482 -4.058 1.00 20.00 C ATOM 667 C ASP A 35 -23.939 -32.766 -4.449 1.00 20.00 C ATOM 668 O ASP A 35 -22.709 -32.823 -4.450 1.00 20.00 O ATOM 669 CB ASP A 35 -23.756 -30.267 -4.280 1.00 20.00 C ATOM 670 CG ASP A 35 -23.467 -30.015 -5.748 1.00 20.00 C ATOM 671 OD1 ASP A 35 -24.390 -29.576 -6.469 1.00 20.00 O ATOM 672 OD2 ASP A 35 -22.318 -30.227 -6.187 1.00 20.00 O ATOM 0 H ASP A 35 -24.367 -31.871 -2.020 1.00 20.00 H new ATOM 0 HA ASP A 35 -25.546 -31.366 -4.688 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -24.226 -29.383 -3.849 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -22.816 -30.419 -3.749 1.00 20.00 H new ATOM 677 N PRO A 36 -24.697 -33.829 -4.758 1.00 20.00 N ATOM 678 CA PRO A 36 -24.125 -35.144 -5.057 1.00 20.00 C ATOM 679 C PRO A 36 -23.599 -35.266 -6.486 1.00 20.00 C ATOM 680 O PRO A 36 -22.893 -36.220 -6.814 1.00 20.00 O ATOM 681 CB PRO A 36 -25.311 -36.084 -4.846 1.00 20.00 C ATOM 682 CG PRO A 36 -26.509 -35.266 -5.190 1.00 20.00 C ATOM 683 CD PRO A 36 -26.174 -33.841 -4.820 1.00 20.00 C ATOM 0 HA PRO A 36 -23.258 -35.358 -4.432 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -25.237 -36.965 -5.484 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -25.356 -36.439 -3.816 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -26.742 -35.347 -6.252 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -27.386 -35.613 -4.644 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -26.549 -33.137 -5.563 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -26.617 -33.562 -3.864 1.00 20.00 H new ATOM 691 N ARG A 37 -23.936 -34.301 -7.329 1.00 20.00 N ATOM 692 CA ARG A 37 -23.550 -34.347 -8.732 1.00 20.00 C ATOM 693 C ARG A 37 -22.910 -33.034 -9.168 1.00 20.00 C ATOM 694 O ARG A 37 -23.601 -32.109 -9.600 1.00 20.00 O ATOM 695 CB ARG A 37 -24.768 -34.642 -9.611 1.00 20.00 C ATOM 696 CG ARG A 37 -25.441 -35.970 -9.314 1.00 20.00 C ATOM 697 CD ARG A 37 -26.640 -36.195 -10.221 1.00 20.00 C ATOM 698 NE ARG A 37 -27.676 -35.176 -10.034 1.00 20.00 N ATOM 699 CZ ARG A 37 -28.558 -34.829 -10.972 1.00 20.00 C ATOM 700 NH1 ARG A 37 -28.523 -35.401 -12.169 1.00 20.00 N ATOM 701 NH2 ARG A 37 -29.474 -33.906 -10.711 1.00 20.00 N ATOM 0 H ARG A 37 -24.476 -33.477 -7.066 1.00 20.00 H new ATOM 0 HA ARG A 37 -22.818 -35.146 -8.850 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -25.497 -33.841 -9.484 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -24.460 -34.629 -10.656 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -24.725 -36.781 -9.446 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -25.761 -35.994 -8.272 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -26.312 -36.191 -11.261 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -27.062 -37.180 -10.024 1.00 20.00 H new ATOM 0 HE ARG A 37 -27.726 -34.703 -9.132 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -27.819 -36.110 -12.375 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -29.200 -35.132 -12.883 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -29.504 -33.462 -9.793 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -30.149 -33.640 -11.428 1.00 20.00 H new ATOM 715 N PRO A 38 -21.582 -32.923 -9.041 1.00 20.00 N ATOM 716 CA PRO A 38 -20.831 -31.761 -9.507 1.00 20.00 C ATOM 717 C PRO A 38 -20.603 -31.814 -11.014 1.00 20.00 C ATOM 718 O PRO A 38 -19.497 -32.086 -11.483 1.00 20.00 O ATOM 719 CB PRO A 38 -19.492 -31.859 -8.754 1.00 20.00 C ATOM 720 CG PRO A 38 -19.615 -33.042 -7.844 1.00 20.00 C ATOM 721 CD PRO A 38 -20.697 -33.908 -8.420 1.00 20.00 C ATOM 0 HA PRO A 38 -21.359 -30.826 -9.319 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -18.662 -31.986 -9.449 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -19.296 -30.949 -8.187 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -18.672 -33.586 -7.785 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -19.866 -32.728 -6.831 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -20.305 -34.619 -9.147 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -21.208 -34.487 -7.651 1.00 20.00 H new ATOM 729 N ALA A 39 -21.664 -31.559 -11.765 1.00 20.00 N ATOM 730 CA ALA A 39 -21.613 -31.648 -13.218 1.00 20.00 C ATOM 731 C ALA A 39 -21.128 -30.347 -13.848 1.00 20.00 C ATOM 732 O ALA A 39 -20.976 -30.258 -15.068 1.00 20.00 O ATOM 733 CB ALA A 39 -22.979 -32.024 -13.766 1.00 20.00 C ATOM 0 H ALA A 39 -22.574 -31.288 -11.392 1.00 20.00 H new ATOM 0 HA ALA A 39 -20.895 -32.425 -13.479 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -22.930 -32.088 -14.853 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -23.281 -32.989 -13.359 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -23.707 -31.265 -13.480 1.00 20.00 H new ATOM 739 N ILE A 40 -20.896 -29.339 -13.020 1.00 20.00 N ATOM 740 CA ILE A 40 -20.400 -28.058 -13.499 1.00 20.00 C ATOM 741 C ILE A 40 -18.897 -28.155 -13.744 1.00 20.00 C ATOM 742 O ILE A 40 -18.142 -28.524 -12.841 1.00 20.00 O ATOM 743 CB ILE A 40 -20.692 -26.903 -12.503 1.00 20.00 C ATOM 744 CG1 ILE A 40 -22.200 -26.716 -12.285 1.00 20.00 C ATOM 745 CG2 ILE A 40 -20.077 -25.601 -12.993 1.00 20.00 C ATOM 746 CD1 ILE A 40 -22.826 -27.731 -11.356 1.00 20.00 C ATOM 0 H ILE A 40 -21.044 -29.384 -12.012 1.00 20.00 H new ATOM 0 HA ILE A 40 -20.923 -27.828 -14.428 1.00 20.00 H new ATOM 0 HB ILE A 40 -20.239 -27.175 -11.549 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -22.376 -25.718 -11.885 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -22.704 -26.766 -13.250 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -20.294 -24.805 -12.280 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -18.998 -25.721 -13.086 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -20.498 -25.343 -13.964 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -23.892 -27.526 -11.258 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -22.685 -28.732 -11.763 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -22.353 -27.668 -10.376 1.00 20.00 H new ATOM 758 N PRO A 41 -18.455 -27.844 -14.978 1.00 20.00 N ATOM 759 CA PRO A 41 -17.050 -27.969 -15.383 1.00 20.00 C ATOM 760 C PRO A 41 -16.100 -27.248 -14.436 1.00 20.00 C ATOM 761 O PRO A 41 -16.185 -26.031 -14.250 1.00 20.00 O ATOM 762 CB PRO A 41 -16.997 -27.335 -16.779 1.00 20.00 C ATOM 763 CG PRO A 41 -18.309 -26.650 -16.972 1.00 20.00 C ATOM 764 CD PRO A 41 -19.293 -27.346 -16.077 1.00 20.00 C ATOM 0 HA PRO A 41 -16.729 -29.011 -15.370 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -16.172 -26.626 -16.854 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -16.837 -28.093 -17.546 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -18.235 -25.593 -16.718 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -18.626 -26.706 -18.013 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -20.063 -26.663 -15.718 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -19.803 -28.159 -16.594 1.00 20.00 H new ATOM 772 N HIS A 42 -15.184 -28.018 -13.856 1.00 20.00 N ATOM 773 CA HIS A 42 -14.256 -27.511 -12.849 1.00 20.00 C ATOM 774 C HIS A 42 -13.383 -26.394 -13.402 1.00 20.00 C ATOM 775 O HIS A 42 -13.030 -25.463 -12.682 1.00 20.00 O ATOM 776 CB HIS A 42 -13.369 -28.637 -12.308 1.00 20.00 C ATOM 777 CG HIS A 42 -14.097 -29.612 -11.436 1.00 20.00 C ATOM 778 ND1 HIS A 42 -14.114 -29.518 -10.063 1.00 20.00 N ATOM 779 CD2 HIS A 42 -14.832 -30.708 -11.746 1.00 20.00 C ATOM 780 CE1 HIS A 42 -14.825 -30.510 -9.564 1.00 20.00 C ATOM 781 NE2 HIS A 42 -15.271 -31.245 -10.564 1.00 20.00 N ATOM 0 H HIS A 42 -15.064 -29.008 -14.070 1.00 20.00 H new ATOM 0 HA HIS A 42 -14.857 -27.106 -12.035 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -12.927 -29.174 -13.147 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -12.547 -28.199 -11.741 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -15.034 -31.087 -12.737 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -15.010 -30.690 -8.515 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -15.850 -32.080 -10.472 1.00 20.00 H new ATOM 790 N ASP A 43 -13.055 -26.482 -14.685 1.00 20.00 N ATOM 791 CA ASP A 43 -12.203 -25.486 -15.331 1.00 20.00 C ATOM 792 C ASP A 43 -12.853 -24.111 -15.287 1.00 20.00 C ATOM 793 O ASP A 43 -12.176 -23.094 -15.122 1.00 20.00 O ATOM 794 CB ASP A 43 -11.909 -25.891 -16.779 1.00 20.00 C ATOM 795 CG ASP A 43 -11.032 -24.888 -17.504 1.00 20.00 C ATOM 796 OD1 ASP A 43 -9.801 -24.907 -17.296 1.00 20.00 O ATOM 797 OD2 ASP A 43 -11.568 -24.094 -18.305 1.00 20.00 O ATOM 0 H ASP A 43 -13.366 -27.233 -15.301 1.00 20.00 H new ATOM 0 HA ASP A 43 -11.261 -25.437 -14.785 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -11.421 -26.866 -16.787 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -12.850 -26.001 -17.319 1.00 20.00 H new ATOM 802 N GLU A 44 -14.176 -24.088 -15.401 1.00 20.00 N ATOM 803 CA GLU A 44 -14.922 -22.843 -15.352 1.00 20.00 C ATOM 804 C GLU A 44 -15.089 -22.380 -13.912 1.00 20.00 C ATOM 805 O GLU A 44 -14.989 -21.188 -13.617 1.00 20.00 O ATOM 806 CB GLU A 44 -16.292 -23.006 -16.017 1.00 20.00 C ATOM 807 CG GLU A 44 -17.141 -21.747 -15.966 1.00 20.00 C ATOM 808 CD GLU A 44 -18.398 -21.857 -16.797 1.00 20.00 C ATOM 809 OE1 GLU A 44 -18.312 -21.702 -18.033 1.00 20.00 O ATOM 810 OE2 GLU A 44 -19.481 -22.091 -16.224 1.00 20.00 O ATOM 0 H GLU A 44 -14.752 -24.920 -15.528 1.00 20.00 H new ATOM 0 HA GLU A 44 -14.360 -22.087 -15.900 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -16.150 -23.298 -17.058 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -16.830 -23.818 -15.529 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -17.412 -21.538 -14.931 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -16.551 -20.901 -16.318 1.00 20.00 H new ATOM 817 N VAL A 45 -15.326 -23.329 -13.014 1.00 20.00 N ATOM 818 CA VAL A 45 -15.499 -23.016 -11.601 1.00 20.00 C ATOM 819 C VAL A 45 -14.250 -22.347 -11.047 1.00 20.00 C ATOM 820 O VAL A 45 -14.323 -21.273 -10.459 1.00 20.00 O ATOM 821 CB VAL A 45 -15.812 -24.276 -10.770 1.00 20.00 C ATOM 822 CG1 VAL A 45 -15.977 -23.925 -9.300 1.00 20.00 C ATOM 823 CG2 VAL A 45 -17.055 -24.969 -11.295 1.00 20.00 C ATOM 0 H VAL A 45 -15.403 -24.321 -13.239 1.00 20.00 H new ATOM 0 HA VAL A 45 -16.346 -22.335 -11.525 1.00 20.00 H new ATOM 0 HB VAL A 45 -14.971 -24.962 -10.865 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -16.197 -24.829 -8.733 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -15.055 -23.478 -8.927 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -16.797 -23.216 -9.185 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -17.258 -25.856 -10.695 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -17.904 -24.288 -11.235 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -16.897 -25.262 -12.333 1.00 20.00 H new ATOM 833 N GLU A 46 -13.102 -22.974 -11.271 1.00 20.00 N ATOM 834 CA GLU A 46 -11.824 -22.445 -10.798 1.00 20.00 C ATOM 835 C GLU A 46 -11.539 -21.070 -11.397 1.00 20.00 C ATOM 836 O GLU A 46 -10.815 -20.263 -10.811 1.00 20.00 O ATOM 837 CB GLU A 46 -10.688 -23.401 -11.156 1.00 20.00 C ATOM 838 CG GLU A 46 -10.850 -24.792 -10.572 1.00 20.00 C ATOM 839 CD GLU A 46 -10.784 -24.800 -9.062 1.00 20.00 C ATOM 840 OE1 GLU A 46 -9.664 -24.711 -8.513 1.00 20.00 O ATOM 841 OE2 GLU A 46 -11.844 -24.907 -8.416 1.00 20.00 O ATOM 0 H GLU A 46 -13.028 -23.855 -11.780 1.00 20.00 H new ATOM 0 HA GLU A 46 -11.888 -22.346 -9.714 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -10.620 -23.479 -12.241 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -9.746 -22.978 -10.807 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -11.805 -25.207 -10.892 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -10.070 -25.442 -10.969 1.00 20.00 H new ATOM 848 N ARG A 47 -12.109 -20.812 -12.566 1.00 20.00 N ATOM 849 CA ARG A 47 -11.904 -19.546 -13.255 1.00 20.00 C ATOM 850 C ARG A 47 -12.805 -18.461 -12.674 1.00 20.00 C ATOM 851 O ARG A 47 -12.341 -17.370 -12.337 1.00 20.00 O ATOM 852 CB ARG A 47 -12.179 -19.708 -14.756 1.00 20.00 C ATOM 853 CG ARG A 47 -11.946 -18.440 -15.565 1.00 20.00 C ATOM 854 CD ARG A 47 -10.487 -18.020 -15.535 1.00 20.00 C ATOM 855 NE ARG A 47 -10.268 -16.736 -16.194 1.00 20.00 N ATOM 856 CZ ARG A 47 -9.079 -16.315 -16.621 1.00 20.00 C ATOM 857 NH1 ARG A 47 -8.010 -17.089 -16.488 1.00 20.00 N ATOM 858 NH2 ARG A 47 -8.961 -15.122 -17.188 1.00 20.00 N ATOM 0 H ARG A 47 -12.719 -21.465 -13.058 1.00 20.00 H new ATOM 0 HA ARG A 47 -10.866 -19.245 -13.114 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -11.542 -20.500 -15.149 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -13.211 -20.031 -14.894 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -12.257 -18.603 -16.597 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -12.565 -17.635 -15.169 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -10.150 -17.957 -14.500 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -9.881 -18.784 -16.022 1.00 20.00 H new ATOM 0 HE ARG A 47 -11.073 -16.126 -16.336 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -8.097 -18.010 -16.058 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -7.101 -16.764 -16.816 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -9.781 -14.526 -17.297 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -8.050 -14.800 -17.515 1.00 20.00 H new ATOM 872 N ARG A 48 -14.090 -18.769 -12.553 1.00 20.00 N ATOM 873 CA ARG A 48 -15.069 -17.795 -12.090 1.00 20.00 C ATOM 874 C ARG A 48 -14.955 -17.577 -10.587 1.00 20.00 C ATOM 875 O ARG A 48 -15.040 -16.447 -10.107 1.00 20.00 O ATOM 876 CB ARG A 48 -16.483 -18.251 -12.448 1.00 20.00 C ATOM 877 CG ARG A 48 -17.547 -17.194 -12.196 1.00 20.00 C ATOM 878 CD ARG A 48 -18.926 -17.681 -12.609 1.00 20.00 C ATOM 879 NE ARG A 48 -19.948 -16.645 -12.455 1.00 20.00 N ATOM 880 CZ ARG A 48 -21.223 -16.808 -12.803 1.00 20.00 C ATOM 881 NH1 ARG A 48 -21.618 -17.944 -13.362 1.00 20.00 N ATOM 882 NH2 ARG A 48 -22.096 -15.827 -12.610 1.00 20.00 N ATOM 0 H ARG A 48 -14.479 -19.687 -12.769 1.00 20.00 H new ATOM 0 HA ARG A 48 -14.864 -16.848 -12.590 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -16.508 -18.536 -13.500 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -16.725 -19.143 -11.870 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -17.555 -16.930 -11.139 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -17.299 -16.288 -12.749 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -18.897 -18.009 -13.648 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -19.198 -18.549 -12.008 1.00 20.00 H new ATOM 0 HE ARG A 48 -19.668 -15.748 -12.059 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -20.945 -18.693 -13.525 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -22.595 -18.069 -13.628 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -21.791 -14.947 -12.195 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -23.072 -15.953 -12.877 1.00 20.00 H new ATOM 896 N MET A 49 -14.740 -18.660 -9.847 1.00 20.00 N ATOM 897 CA MET A 49 -14.617 -18.583 -8.394 1.00 20.00 C ATOM 898 C MET A 49 -13.410 -17.743 -8.007 1.00 20.00 C ATOM 899 O MET A 49 -13.380 -17.136 -6.941 1.00 20.00 O ATOM 900 CB MET A 49 -14.500 -19.982 -7.788 1.00 20.00 C ATOM 901 CG MET A 49 -14.406 -19.987 -6.270 1.00 20.00 C ATOM 902 SD MET A 49 -14.311 -21.648 -5.587 1.00 20.00 S ATOM 903 CE MET A 49 -15.927 -22.285 -6.030 1.00 20.00 C ATOM 0 H MET A 49 -14.647 -19.601 -10.229 1.00 20.00 H new ATOM 0 HA MET A 49 -15.516 -18.108 -8.000 1.00 20.00 H new ATOM 0 HB2 MET A 49 -15.364 -20.573 -8.091 1.00 20.00 H new ATOM 0 HB3 MET A 49 -13.618 -20.473 -8.199 1.00 20.00 H new ATOM 0 HG2 MET A 49 -13.527 -19.421 -5.963 1.00 20.00 H new ATOM 0 HG3 MET A 49 -15.275 -19.477 -5.854 1.00 20.00 H new ATOM 0 HE1 MET A 49 -16.462 -22.581 -5.127 1.00 20.00 H new ATOM 0 HE2 MET A 49 -16.493 -21.512 -6.550 1.00 20.00 H new ATOM 0 HE3 MET A 49 -15.811 -23.150 -6.683 1.00 20.00 H new ATOM 913 N ALA A 50 -12.423 -17.701 -8.893 1.00 20.00 N ATOM 914 CA ALA A 50 -11.247 -16.870 -8.693 1.00 20.00 C ATOM 915 C ALA A 50 -11.633 -15.399 -8.640 1.00 20.00 C ATOM 916 O ALA A 50 -11.055 -14.617 -7.889 1.00 20.00 O ATOM 917 CB ALA A 50 -10.248 -17.108 -9.805 1.00 20.00 C ATOM 0 H ALA A 50 -12.416 -18.237 -9.761 1.00 20.00 H new ATOM 0 HA ALA A 50 -10.789 -17.140 -7.741 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -9.371 -16.481 -9.646 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -9.949 -18.156 -9.808 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -10.704 -16.858 -10.763 1.00 20.00 H new ATOM 923 N GLU A 51 -12.631 -15.038 -9.430 1.00 20.00 N ATOM 924 CA GLU A 51 -13.114 -13.667 -9.476 1.00 20.00 C ATOM 925 C GLU A 51 -14.116 -13.442 -8.354 1.00 20.00 C ATOM 926 O GLU A 51 -14.288 -12.326 -7.859 1.00 20.00 O ATOM 927 CB GLU A 51 -13.772 -13.375 -10.823 1.00 20.00 C ATOM 928 CG GLU A 51 -12.931 -13.786 -12.019 1.00 20.00 C ATOM 929 CD GLU A 51 -13.490 -13.269 -13.325 1.00 20.00 C ATOM 930 OE1 GLU A 51 -14.655 -13.586 -13.646 1.00 20.00 O ATOM 931 OE2 GLU A 51 -12.759 -12.561 -14.050 1.00 20.00 O ATOM 0 H GLU A 51 -13.125 -15.679 -10.051 1.00 20.00 H new ATOM 0 HA GLU A 51 -12.267 -12.992 -9.350 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -14.730 -13.894 -10.869 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -13.984 -12.308 -10.889 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -11.915 -13.414 -11.890 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -12.869 -14.874 -12.059 1.00 20.00 H new ATOM 938 N ARG A 52 -14.768 -14.524 -7.952 1.00 20.00 N ATOM 939 CA ARG A 52 -15.750 -14.481 -6.880 1.00 20.00 C ATOM 940 C ARG A 52 -15.062 -14.395 -5.529 1.00 20.00 C ATOM 941 O ARG A 52 -15.673 -13.995 -4.550 1.00 20.00 O ATOM 942 CB ARG A 52 -16.639 -15.726 -6.912 1.00 20.00 C ATOM 943 CG ARG A 52 -17.470 -15.867 -8.177 1.00 20.00 C ATOM 944 CD ARG A 52 -18.448 -14.717 -8.333 1.00 20.00 C ATOM 945 NE ARG A 52 -19.398 -14.651 -7.225 1.00 20.00 N ATOM 946 CZ ARG A 52 -20.221 -13.627 -7.016 1.00 20.00 C ATOM 947 NH1 ARG A 52 -20.179 -12.566 -7.813 1.00 20.00 N ATOM 948 NH2 ARG A 52 -21.081 -13.662 -6.005 1.00 20.00 N ATOM 0 H ARG A 52 -14.632 -15.450 -8.357 1.00 20.00 H new ATOM 0 HA ARG A 52 -16.367 -13.595 -7.028 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -16.011 -16.610 -6.803 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -17.308 -15.703 -6.052 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -16.811 -15.905 -9.044 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -18.017 -16.810 -8.151 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -17.897 -13.779 -8.394 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -18.992 -14.829 -9.271 1.00 20.00 H new ATOM 0 HE ARG A 52 -19.432 -15.436 -6.574 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -19.515 -12.535 -8.587 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -20.811 -11.782 -7.652 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -21.111 -14.474 -5.389 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -21.712 -12.877 -5.845 1.00 20.00 H new ATOM 962 N PHE A 53 -13.786 -14.765 -5.504 1.00 20.00 N ATOM 963 CA PHE A 53 -12.996 -14.853 -4.276 1.00 20.00 C ATOM 964 C PHE A 53 -13.163 -13.618 -3.388 1.00 20.00 C ATOM 965 O PHE A 53 -13.387 -13.739 -2.183 1.00 20.00 O ATOM 966 CB PHE A 53 -11.522 -15.051 -4.643 1.00 20.00 C ATOM 967 CG PHE A 53 -10.606 -15.268 -3.469 1.00 20.00 C ATOM 968 CD1 PHE A 53 -10.562 -16.491 -2.820 1.00 20.00 C ATOM 969 CD2 PHE A 53 -9.771 -14.251 -3.029 1.00 20.00 C ATOM 970 CE1 PHE A 53 -9.705 -16.697 -1.755 1.00 20.00 C ATOM 971 CE2 PHE A 53 -8.916 -14.450 -1.963 1.00 20.00 C ATOM 972 CZ PHE A 53 -8.882 -15.675 -1.327 1.00 20.00 C ATOM 0 H PHE A 53 -13.263 -15.015 -6.343 1.00 20.00 H new ATOM 0 HA PHE A 53 -13.357 -15.705 -3.700 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -11.440 -15.907 -5.313 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -11.179 -14.178 -5.198 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -11.205 -17.293 -3.150 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -9.790 -13.292 -3.526 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -9.680 -17.656 -1.259 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -8.275 -13.648 -1.627 1.00 20.00 H new ATOM 0 HZ PHE A 53 -8.212 -15.833 -0.495 1.00 20.00 H new ATOM 982 N ALA A 54 -13.078 -12.439 -3.988 1.00 20.00 N ATOM 983 CA ALA A 54 -13.187 -11.192 -3.245 1.00 20.00 C ATOM 984 C ALA A 54 -14.598 -10.995 -2.691 1.00 20.00 C ATOM 985 O ALA A 54 -14.775 -10.703 -1.508 1.00 20.00 O ATOM 986 CB ALA A 54 -12.795 -10.022 -4.132 1.00 20.00 C ATOM 0 H ALA A 54 -12.933 -12.320 -4.991 1.00 20.00 H new ATOM 0 HA ALA A 54 -12.503 -11.241 -2.397 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -12.880 -9.093 -3.568 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -11.766 -10.149 -4.469 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -13.458 -9.983 -4.997 1.00 20.00 H new ATOM 992 N LYS A 55 -15.595 -11.187 -3.548 1.00 20.00 N ATOM 993 CA LYS A 55 -16.992 -10.986 -3.168 1.00 20.00 C ATOM 994 C LYS A 55 -17.461 -12.087 -2.220 1.00 20.00 C ATOM 995 O LYS A 55 -18.382 -11.898 -1.427 1.00 20.00 O ATOM 996 CB LYS A 55 -17.876 -10.965 -4.418 1.00 20.00 C ATOM 997 CG LYS A 55 -17.433 -9.959 -5.472 1.00 20.00 C ATOM 998 CD LYS A 55 -18.365 -9.968 -6.669 1.00 20.00 C ATOM 999 CE LYS A 55 -17.860 -9.068 -7.787 1.00 20.00 C ATOM 1000 NZ LYS A 55 -17.799 -7.640 -7.378 1.00 20.00 N ATOM 0 H LYS A 55 -15.462 -11.483 -4.515 1.00 20.00 H new ATOM 0 HA LYS A 55 -17.073 -10.029 -2.652 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -17.884 -11.961 -4.861 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -18.901 -10.739 -4.122 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -17.407 -8.960 -5.036 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -16.419 -10.192 -5.796 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -18.468 -10.987 -7.042 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -19.357 -9.640 -6.359 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -16.868 -9.398 -8.096 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -18.513 -9.168 -8.654 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -17.531 -7.056 -8.196 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -18.731 -7.339 -7.028 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -17.092 -7.525 -6.624 1.00 20.00 H new ATOM 1014 N MET A 56 -16.817 -13.235 -2.326 1.00 20.00 N ATOM 1015 CA MET A 56 -17.112 -14.388 -1.488 1.00 20.00 C ATOM 1016 C MET A 56 -16.709 -14.125 -0.043 1.00 20.00 C ATOM 1017 O MET A 56 -17.450 -14.440 0.888 1.00 20.00 O ATOM 1018 CB MET A 56 -16.362 -15.610 -2.033 1.00 20.00 C ATOM 1019 CG MET A 56 -16.295 -16.795 -1.083 1.00 20.00 C ATOM 1020 SD MET A 56 -15.229 -18.107 -1.712 1.00 20.00 S ATOM 1021 CE MET A 56 -15.247 -19.249 -0.334 1.00 20.00 C ATOM 0 H MET A 56 -16.069 -13.397 -3.000 1.00 20.00 H new ATOM 0 HA MET A 56 -18.185 -14.577 -1.508 1.00 20.00 H new ATOM 0 HB2 MET A 56 -16.842 -15.931 -2.957 1.00 20.00 H new ATOM 0 HB3 MET A 56 -15.346 -15.310 -2.289 1.00 20.00 H new ATOM 0 HG2 MET A 56 -15.926 -16.462 -0.113 1.00 20.00 H new ATOM 0 HG3 MET A 56 -17.299 -17.189 -0.923 1.00 20.00 H new ATOM 0 HE1 MET A 56 -14.630 -20.116 -0.572 1.00 20.00 H new ATOM 0 HE2 MET A 56 -14.852 -18.755 0.553 1.00 20.00 H new ATOM 0 HE3 MET A 56 -16.270 -19.573 -0.143 1.00 20.00 H new ATOM 1031 N ARG A 57 -15.540 -13.530 0.134 1.00 20.00 N ATOM 1032 CA ARG A 57 -14.988 -13.322 1.464 1.00 20.00 C ATOM 1033 C ARG A 57 -15.467 -12.001 2.055 1.00 20.00 C ATOM 1034 O ARG A 57 -16.115 -11.993 3.104 1.00 20.00 O ATOM 1035 CB ARG A 57 -13.463 -13.370 1.405 1.00 20.00 C ATOM 1036 CG ARG A 57 -12.938 -14.682 0.843 1.00 20.00 C ATOM 1037 CD ARG A 57 -11.430 -14.660 0.674 1.00 20.00 C ATOM 1038 NE ARG A 57 -10.731 -14.689 1.955 1.00 20.00 N ATOM 1039 CZ ARG A 57 -9.698 -13.904 2.261 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -9.275 -12.987 1.400 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -9.096 -14.037 3.435 1.00 20.00 N ATOM 0 H ARG A 57 -14.955 -13.183 -0.626 1.00 20.00 H new ATOM 0 HA ARG A 57 -15.340 -14.121 2.116 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -13.101 -12.546 0.790 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -13.060 -13.221 2.407 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -13.217 -15.500 1.508 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -13.409 -14.879 -0.120 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -11.121 -15.516 0.074 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -11.141 -13.764 0.124 1.00 20.00 H new ATOM 0 HE ARG A 57 -11.053 -15.352 2.660 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -9.741 -12.880 0.499 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -8.484 -12.389 1.639 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -9.424 -14.738 4.100 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -8.305 -13.438 3.673 1.00 20.00 H new ATOM 1055 N LYS A 58 -15.173 -10.900 1.364 1.00 20.00 N ATOM 1056 CA LYS A 58 -15.557 -9.558 1.813 1.00 20.00 C ATOM 1057 C LYS A 58 -15.037 -9.272 3.220 1.00 20.00 C ATOM 1058 O LYS A 58 -15.740 -9.489 4.210 1.00 20.00 O ATOM 1059 CB LYS A 58 -17.078 -9.379 1.767 1.00 20.00 C ATOM 1060 CG LYS A 58 -17.659 -9.360 0.360 1.00 20.00 C ATOM 1061 CD LYS A 58 -17.131 -8.192 -0.462 1.00 20.00 C ATOM 1062 CE LYS A 58 -17.481 -6.851 0.168 1.00 20.00 C ATOM 1063 NZ LYS A 58 -16.966 -5.711 -0.634 1.00 20.00 N ATOM 0 H LYS A 58 -14.664 -10.911 0.480 1.00 20.00 H new ATOM 0 HA LYS A 58 -15.100 -8.843 1.128 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -17.545 -10.186 2.331 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -17.339 -8.447 2.269 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -17.418 -10.296 -0.144 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -18.746 -9.300 0.418 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -16.049 -8.276 -0.559 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -17.546 -8.240 -1.469 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -18.563 -6.767 0.265 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -17.066 -6.803 1.175 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -17.225 -4.816 -0.172 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -15.931 -5.777 -0.706 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -17.381 -5.741 -1.587 1.00 20.00 H new ATOM 1077 N GLU A 59 -13.808 -8.779 3.291 1.00 20.00 N ATOM 1078 CA GLU A 59 -13.164 -8.467 4.564 1.00 20.00 C ATOM 1079 C GLU A 59 -13.958 -7.417 5.341 1.00 20.00 C ATOM 1080 O GLU A 59 -13.895 -6.226 5.032 1.00 20.00 O ATOM 1081 CB GLU A 59 -11.746 -7.957 4.321 1.00 20.00 C ATOM 1082 CG GLU A 59 -10.807 -8.991 3.721 1.00 20.00 C ATOM 1083 CD GLU A 59 -9.505 -8.377 3.263 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -8.571 -8.261 4.086 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -9.413 -7.993 2.078 1.00 20.00 O ATOM 0 H GLU A 59 -13.230 -8.584 2.473 1.00 20.00 H new ATOM 0 HA GLU A 59 -13.128 -9.382 5.156 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -11.791 -7.094 3.656 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -11.330 -7.610 5.267 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -10.602 -9.766 4.460 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -11.295 -9.477 2.876 1.00 20.00 H new ATOM 1092 N ARG A 60 -14.710 -7.864 6.336 1.00 20.00 N ATOM 1093 CA ARG A 60 -15.528 -6.964 7.142 1.00 20.00 C ATOM 1094 C ARG A 60 -14.841 -6.639 8.465 1.00 20.00 C ATOM 1095 O ARG A 60 -15.283 -5.763 9.212 1.00 20.00 O ATOM 1096 CB ARG A 60 -16.903 -7.589 7.396 1.00 20.00 C ATOM 1097 CG ARG A 60 -16.832 -8.945 8.071 1.00 20.00 C ATOM 1098 CD ARG A 60 -18.191 -9.624 8.120 1.00 20.00 C ATOM 1099 NE ARG A 60 -18.102 -10.978 8.661 1.00 20.00 N ATOM 1100 CZ ARG A 60 -17.698 -12.041 7.962 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -17.327 -11.913 6.692 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -17.665 -13.232 8.539 1.00 20.00 N ATOM 0 H ARG A 60 -14.772 -8.846 6.606 1.00 20.00 H new ATOM 0 HA ARG A 60 -15.658 -6.033 6.591 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -17.492 -6.913 8.016 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -17.429 -7.691 6.447 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -16.127 -9.581 7.535 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -16.448 -8.827 9.084 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -18.871 -9.032 8.732 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -18.615 -9.661 7.117 1.00 20.00 H new ATOM 0 HE ARG A 60 -18.366 -11.120 9.636 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -17.350 -10.997 6.244 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -17.020 -12.731 6.166 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -17.948 -13.334 9.514 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -17.357 -14.047 8.009 1.00 20.00 H new ATOM 1116 N SER A 61 -13.756 -7.349 8.742 1.00 20.00 N ATOM 1117 CA SER A 61 -12.979 -7.134 9.955 1.00 20.00 C ATOM 1118 C SER A 61 -11.648 -7.870 9.853 1.00 20.00 C ATOM 1119 O SER A 61 -10.599 -7.259 9.654 1.00 20.00 O ATOM 1120 CB SER A 61 -13.763 -7.600 11.190 1.00 20.00 C ATOM 1121 OG SER A 61 -13.031 -7.372 12.380 1.00 20.00 O ATOM 0 H SER A 61 -13.392 -8.085 8.137 1.00 20.00 H new ATOM 0 HA SER A 61 -12.784 -6.067 10.064 1.00 20.00 H new ATOM 0 HB2 SER A 61 -14.715 -7.072 11.239 1.00 20.00 H new ATOM 0 HB3 SER A 61 -13.992 -8.662 11.099 1.00 20.00 H new ATOM 0 HG SER A 61 -13.555 -7.677 13.150 1.00 20.00 H new ATOM 1127 N LYS A 62 -11.701 -9.184 9.983 1.00 20.00 N ATOM 1128 CA LYS A 62 -10.528 -10.020 9.789 1.00 20.00 C ATOM 1129 C LYS A 62 -10.659 -10.738 8.455 1.00 20.00 C ATOM 1130 O LYS A 62 -9.688 -10.914 7.717 1.00 20.00 O ATOM 1131 CB LYS A 62 -10.395 -11.031 10.935 1.00 20.00 C ATOM 1132 CG LYS A 62 -9.186 -11.950 10.817 1.00 20.00 C ATOM 1133 CD LYS A 62 -7.871 -11.206 11.014 1.00 20.00 C ATOM 1134 CE LYS A 62 -7.748 -10.632 12.418 1.00 20.00 C ATOM 1135 NZ LYS A 62 -6.397 -10.064 12.668 1.00 20.00 N ATOM 0 H LYS A 62 -12.549 -9.698 10.223 1.00 20.00 H new ATOM 0 HA LYS A 62 -9.631 -9.401 9.785 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -10.335 -10.489 11.878 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -11.298 -11.640 10.975 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -9.264 -12.746 11.557 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -9.188 -12.425 9.836 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -7.039 -11.884 10.825 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -7.797 -10.400 10.284 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -8.500 -9.856 12.560 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -7.954 -11.414 13.149 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -6.354 -9.683 13.635 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -5.681 -10.810 12.557 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -6.210 -9.301 11.987 1.00 20.00 H new ATOM 1149 N GLN A 63 -11.889 -11.121 8.160 1.00 20.00 N ATOM 1150 CA GLN A 63 -12.246 -11.752 6.906 1.00 20.00 C ATOM 1151 C GLN A 63 -13.765 -11.710 6.784 1.00 20.00 C ATOM 1152 O GLN A 63 -14.403 -12.781 6.820 1.00 20.00 O ATOM 1153 CB GLN A 63 -11.740 -13.198 6.867 1.00 20.00 C ATOM 1154 CG GLN A 63 -11.950 -13.889 5.528 1.00 20.00 C ATOM 1155 CD GLN A 63 -11.546 -15.351 5.554 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -11.124 -15.906 4.541 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -11.679 -15.987 6.707 1.00 20.00 N ATOM 1158 OXT GLN A 63 -14.314 -10.589 6.750 1.00 20.00 O ATOM 0 H GLN A 63 -12.678 -11.000 8.795 1.00 20.00 H new ATOM 0 HA GLN A 63 -11.785 -11.224 6.071 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -10.677 -13.207 7.107 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -12.247 -13.771 7.644 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -13.000 -13.811 5.244 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -11.374 -13.371 4.762 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -12.033 -15.491 7.525 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -11.428 -16.973 6.778 1.00 20.00 H new TER 1167 GLN A 63