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 Set 1.1: A 14 THR OG1 : rot 17:sc= 1.3 USER MOD Set 1.2: A 17 GLN : amide:sc= 0.539 K(o=1.8,f=1.2) USER MOD Single : A 1 LYS NZ :NH3+ 162:sc= -0.0595 (180deg=-0.404) USER MOD Single : A 2 ASN : amide:sc= -0.0772 X(o=-0.077,f=-0.077) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) 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 CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ 161:sc= 1.35 (180deg=1.26) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0867 USER MOD Single : A 19 ASN : amide:sc=-0.00319 K(o=-0.0032,f=-0.87) USER MOD Single : A 20 SER OG : rot -24:sc= 0.236 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.014 K(o=-0.014,f=-0.86) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -31:sc= -2.25! USER MOD Single : A 32 SER OG : rot 23:sc= 0.867 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 152:sc= 0 (180deg=-0.186) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -149:sc=-0.00443 (180deg=-0.454) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= 1.11 (180deg=-0.138!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= 0.524 (180deg=0.0531) USER MOD Single : A 63 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -44.715 33.381 16.284 1.00 20.00 N ATOM 2 CA MET A -7 -44.641 33.231 17.756 1.00 20.00 C ATOM 3 C MET A -7 -45.723 32.286 18.262 1.00 20.00 C ATOM 4 O MET A -7 -46.867 32.687 18.470 1.00 20.00 O ATOM 5 CB MET A -7 -44.773 34.595 18.447 1.00 20.00 C ATOM 6 CG MET A -7 -43.511 35.446 18.380 1.00 20.00 C ATOM 7 SD MET A -7 -42.992 35.805 16.690 1.00 20.00 S ATOM 8 CE MET A -7 -41.488 36.734 16.994 1.00 20.00 C ATOM 0 H1 MET A -7 -44.209 34.243 15.997 1.00 20.00 H new ATOM 0 H2 MET A -7 -44.278 32.555 15.828 1.00 20.00 H new ATOM 0 H3 MET A -7 -45.711 33.451 15.992 1.00 20.00 H new ATOM 0 HA MET A -7 -43.667 32.806 17.999 1.00 20.00 H new ATOM 0 HB2 MET A -7 -45.595 35.145 17.989 1.00 20.00 H new ATOM 0 HB3 MET A -7 -45.038 34.437 19.492 1.00 20.00 H new ATOM 0 HG2 MET A -7 -43.683 36.384 18.908 1.00 20.00 H new ATOM 0 HG3 MET A -7 -42.704 34.931 18.900 1.00 20.00 H new ATOM 0 HE1 MET A -7 -41.045 37.030 16.043 1.00 20.00 H new ATOM 0 HE2 MET A -7 -41.722 37.624 17.578 1.00 20.00 H new ATOM 0 HE3 MET A -7 -40.782 36.113 17.546 1.00 20.00 H new ATOM 20 N ASP A -6 -45.361 31.025 18.450 1.00 20.00 N ATOM 21 CA ASP A -6 -46.289 30.030 18.977 1.00 20.00 C ATOM 22 C ASP A -6 -45.807 29.499 20.318 1.00 20.00 C ATOM 23 O ASP A -6 -44.632 29.629 20.665 1.00 20.00 O ATOM 24 CB ASP A -6 -46.466 28.868 18.000 1.00 20.00 C ATOM 25 CG ASP A -6 -47.374 29.215 16.843 1.00 20.00 C ATOM 26 OD1 ASP A -6 -48.607 29.090 16.994 1.00 20.00 O ATOM 27 OD2 ASP A -6 -46.863 29.620 15.779 1.00 20.00 O ATOM 0 H ASP A -6 -44.429 30.664 18.245 1.00 20.00 H new ATOM 0 HA ASP A -6 -47.252 30.522 19.113 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -45.491 28.570 17.615 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -46.874 28.009 18.533 1.00 20.00 H new ATOM 32 N TYR A -5 -46.720 28.902 21.069 1.00 20.00 N ATOM 33 CA TYR A -5 -46.400 28.367 22.384 1.00 20.00 C ATOM 34 C TYR A -5 -46.601 26.859 22.399 1.00 20.00 C ATOM 35 O TYR A -5 -47.380 26.330 21.607 1.00 20.00 O ATOM 36 CB TYR A -5 -47.272 29.023 23.461 1.00 20.00 C ATOM 37 CG TYR A -5 -47.037 30.512 23.612 1.00 20.00 C ATOM 38 CD1 TYR A -5 -47.709 31.426 22.810 1.00 20.00 C ATOM 39 CD2 TYR A -5 -46.146 31.001 24.559 1.00 20.00 C ATOM 40 CE1 TYR A -5 -47.499 32.785 22.947 1.00 20.00 C ATOM 41 CE2 TYR A -5 -45.931 32.358 24.701 1.00 20.00 C ATOM 42 CZ TYR A -5 -46.611 33.246 23.894 1.00 20.00 C ATOM 43 OH TYR A -5 -46.402 34.600 24.038 1.00 20.00 O ATOM 0 H TYR A -5 -47.693 28.775 20.789 1.00 20.00 H new ATOM 0 HA TYR A -5 -45.355 28.589 22.601 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -48.321 28.852 23.220 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -47.081 28.535 24.417 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -48.407 31.069 22.067 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -45.613 30.309 25.194 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -48.028 33.482 22.315 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -45.233 32.722 25.441 1.00 20.00 H new ATOM 0 HH TYR A -5 -45.747 34.756 24.750 1.00 20.00 H new ATOM 53 N LYS A -4 -45.877 26.180 23.291 1.00 20.00 N ATOM 54 CA LYS A -4 -45.939 24.718 23.445 1.00 20.00 C ATOM 55 C LYS A -4 -45.269 23.994 22.279 1.00 20.00 C ATOM 56 O LYS A -4 -44.512 23.045 22.489 1.00 20.00 O ATOM 57 CB LYS A -4 -47.381 24.230 23.628 1.00 20.00 C ATOM 58 CG LYS A -4 -48.016 24.688 24.934 1.00 20.00 C ATOM 59 CD LYS A -4 -47.192 24.240 26.132 1.00 20.00 C ATOM 60 CE LYS A -4 -47.831 24.657 27.447 1.00 20.00 C ATOM 61 NZ LYS A -4 -46.997 24.269 28.615 1.00 20.00 N ATOM 0 H LYS A -4 -45.225 26.629 23.934 1.00 20.00 H new ATOM 0 HA LYS A -4 -45.383 24.475 24.350 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -47.986 24.587 22.794 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -47.395 23.141 23.589 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -48.106 25.774 24.937 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -49.026 24.284 25.012 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -47.080 23.156 26.111 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -46.191 24.666 26.064 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -47.982 25.736 27.451 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -48.815 24.197 27.535 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -47.467 24.571 29.492 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -46.874 23.236 28.626 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -46.066 24.728 28.545 1.00 20.00 H new ATOM 75 N ASP A -3 -45.533 24.446 21.058 1.00 20.00 N ATOM 76 CA ASP A -3 -44.878 23.895 19.873 1.00 20.00 C ATOM 77 C ASP A -3 -43.429 24.354 19.798 1.00 20.00 C ATOM 78 O ASP A -3 -42.703 24.012 18.867 1.00 20.00 O ATOM 79 CB ASP A -3 -45.611 24.304 18.593 1.00 20.00 C ATOM 80 CG ASP A -3 -46.891 23.529 18.375 1.00 20.00 C ATOM 81 OD1 ASP A -3 -46.825 22.290 18.233 1.00 20.00 O ATOM 82 OD2 ASP A -3 -47.968 24.156 18.311 1.00 20.00 O ATOM 0 H ASP A -3 -46.197 25.194 20.861 1.00 20.00 H new ATOM 0 HA ASP A -3 -44.907 22.809 19.959 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -45.840 25.369 18.636 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -44.951 24.154 17.739 1.00 20.00 H new ATOM 87 N ASP A -2 -43.027 25.133 20.796 1.00 20.00 N ATOM 88 CA ASP A -2 -41.656 25.614 20.920 1.00 20.00 C ATOM 89 C ASP A -2 -40.663 24.461 20.903 1.00 20.00 C ATOM 90 O ASP A -2 -39.564 24.579 20.361 1.00 20.00 O ATOM 91 CB ASP A -2 -41.498 26.405 22.218 1.00 20.00 C ATOM 92 CG ASP A -2 -40.056 26.766 22.511 1.00 20.00 C ATOM 93 OD1 ASP A -2 -39.472 27.574 21.761 1.00 20.00 O ATOM 94 OD2 ASP A -2 -39.502 26.257 23.506 1.00 20.00 O ATOM 0 H ASP A -2 -43.644 25.450 21.544 1.00 20.00 H new ATOM 0 HA ASP A -2 -41.447 26.260 20.067 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -42.091 27.317 22.157 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -41.897 25.820 23.046 1.00 20.00 H new ATOM 99 N ASP A -1 -41.060 23.345 21.492 1.00 20.00 N ATOM 100 CA ASP A -1 -40.195 22.178 21.549 1.00 20.00 C ATOM 101 C ASP A -1 -40.217 21.416 20.234 1.00 20.00 C ATOM 102 O ASP A -1 -41.110 20.607 19.983 1.00 20.00 O ATOM 103 CB ASP A -1 -40.595 21.242 22.684 1.00 20.00 C ATOM 104 CG ASP A -1 -39.578 20.137 22.885 1.00 20.00 C ATOM 105 OD1 ASP A -1 -39.607 19.139 22.135 1.00 20.00 O ATOM 106 OD2 ASP A -1 -38.736 20.269 23.797 1.00 20.00 O ATOM 0 H ASP A -1 -41.970 23.222 21.935 1.00 20.00 H new ATOM 0 HA ASP A -1 -39.184 22.540 21.734 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -40.699 21.813 23.607 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -41.570 20.804 22.468 1.00 20.00 H new ATOM 111 N ASP A 0 -39.236 21.688 19.392 1.00 20.00 N ATOM 112 CA ASP A 0 -39.064 20.951 18.148 1.00 20.00 C ATOM 113 C ASP A 0 -38.151 19.759 18.382 1.00 20.00 C ATOM 114 O ASP A 0 -37.863 18.990 17.469 1.00 20.00 O ATOM 115 CB ASP A 0 -38.472 21.842 17.052 1.00 20.00 C ATOM 116 CG ASP A 0 -39.373 22.998 16.673 1.00 20.00 C ATOM 117 OD1 ASP A 0 -40.375 22.776 15.963 1.00 20.00 O ATOM 118 OD2 ASP A 0 -39.077 24.143 17.073 1.00 20.00 O ATOM 0 H ASP A 0 -38.541 22.418 19.547 1.00 20.00 H new ATOM 0 HA ASP A 0 -40.045 20.609 17.818 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -37.512 22.233 17.389 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -38.276 21.237 16.167 1.00 20.00 H new ATOM 123 N LYS A 1 -37.712 19.612 19.625 1.00 20.00 N ATOM 124 CA LYS A 1 -36.727 18.602 19.986 1.00 20.00 C ATOM 125 C LYS A 1 -37.339 17.207 19.967 1.00 20.00 C ATOM 126 O LYS A 1 -36.803 16.296 19.336 1.00 20.00 O ATOM 127 CB LYS A 1 -36.146 18.900 21.370 1.00 20.00 C ATOM 128 CG LYS A 1 -35.514 20.280 21.482 1.00 20.00 C ATOM 129 CD LYS A 1 -34.943 20.529 22.869 1.00 20.00 C ATOM 130 CE LYS A 1 -33.712 19.678 23.137 1.00 20.00 C ATOM 131 NZ LYS A 1 -32.622 19.955 22.164 1.00 20.00 N ATOM 0 H LYS A 1 -38.027 20.186 20.407 1.00 20.00 H new ATOM 0 HA LYS A 1 -35.926 18.633 19.247 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -36.938 18.811 22.114 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -35.397 18.146 21.610 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -34.722 20.378 20.740 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -36.260 21.041 21.254 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -34.685 21.583 22.971 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -35.704 20.313 23.619 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -33.353 19.868 24.148 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -33.983 18.623 23.088 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -31.720 19.602 22.543 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -32.830 19.477 21.264 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -32.552 20.980 22.003 1.00 20.00 H new ATOM 145 N ASN A 2 -38.469 17.042 20.641 1.00 20.00 N ATOM 146 CA ASN A 2 -39.132 15.740 20.700 1.00 20.00 C ATOM 147 C ASN A 2 -39.757 15.399 19.347 1.00 20.00 C ATOM 148 O ASN A 2 -40.160 14.265 19.096 1.00 20.00 O ATOM 149 CB ASN A 2 -40.187 15.718 21.814 1.00 20.00 C ATOM 150 CG ASN A 2 -40.821 14.350 22.006 1.00 20.00 C ATOM 151 OD1 ASN A 2 -40.256 13.478 22.670 1.00 20.00 O ATOM 152 ND2 ASN A 2 -42.012 14.158 21.459 1.00 20.00 N ATOM 0 H ASN A 2 -38.945 17.785 21.152 1.00 20.00 H new ATOM 0 HA ASN A 2 -38.385 14.981 20.932 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -39.725 16.033 22.750 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -40.966 16.444 21.583 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -42.491 13.266 21.581 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -42.450 14.902 20.916 1.00 20.00 H new ATOM 159 N ARG A 3 -39.817 16.388 18.468 1.00 20.00 N ATOM 160 CA ARG A 3 -40.312 16.177 17.115 1.00 20.00 C ATOM 161 C ARG A 3 -39.162 16.182 16.116 1.00 20.00 C ATOM 162 O ARG A 3 -39.373 16.222 14.906 1.00 20.00 O ATOM 163 CB ARG A 3 -41.347 17.243 16.742 1.00 20.00 C ATOM 164 CG ARG A 3 -42.656 17.119 17.506 1.00 20.00 C ATOM 165 CD ARG A 3 -43.291 15.750 17.301 1.00 20.00 C ATOM 166 NE ARG A 3 -43.495 15.447 15.885 1.00 20.00 N ATOM 167 CZ ARG A 3 -43.757 14.230 15.410 1.00 20.00 C ATOM 168 NH1 ARG A 3 -43.856 13.193 16.234 1.00 20.00 N ATOM 169 NH2 ARG A 3 -43.921 14.054 14.107 1.00 20.00 N ATOM 0 H ARG A 3 -39.529 17.346 18.667 1.00 20.00 H new ATOM 0 HA ARG A 3 -40.797 15.201 17.080 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -40.922 18.230 16.926 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -41.553 17.179 15.674 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -42.476 17.283 18.568 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -43.347 17.895 17.176 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -42.656 14.985 17.747 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -44.248 15.713 17.821 1.00 20.00 H new ATOM 0 HE ARG A 3 -43.433 16.216 15.218 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -43.731 13.325 17.238 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -44.057 12.264 15.863 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -43.847 14.849 13.472 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -44.122 13.124 13.739 1.00 20.00 H new ATOM 183 N ALA A 4 -37.943 16.123 16.630 1.00 20.00 N ATOM 184 CA ALA A 4 -36.756 16.109 15.784 1.00 20.00 C ATOM 185 C ALA A 4 -36.304 14.679 15.520 1.00 20.00 C ATOM 186 O ALA A 4 -35.115 14.403 15.366 1.00 20.00 O ATOM 187 CB ALA A 4 -35.633 16.912 16.422 1.00 20.00 C ATOM 0 H ALA A 4 -37.748 16.084 17.630 1.00 20.00 H new ATOM 0 HA ALA A 4 -37.011 16.572 14.831 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -34.756 16.889 15.775 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -35.956 17.944 16.559 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -35.381 16.479 17.390 1.00 20.00 H new ATOM 193 N LEU A 5 -37.262 13.771 15.486 1.00 20.00 N ATOM 194 CA LEU A 5 -36.976 12.372 15.221 1.00 20.00 C ATOM 195 C LEU A 5 -37.228 12.061 13.755 1.00 20.00 C ATOM 196 O LEU A 5 -38.185 11.365 13.409 1.00 20.00 O ATOM 197 CB LEU A 5 -37.821 11.452 16.113 1.00 20.00 C ATOM 198 CG LEU A 5 -37.334 11.293 17.562 1.00 20.00 C ATOM 199 CD1 LEU A 5 -37.469 12.594 18.339 1.00 20.00 C ATOM 200 CD2 LEU A 5 -38.096 10.175 18.258 1.00 20.00 C ATOM 0 H LEU A 5 -38.249 13.978 15.639 1.00 20.00 H new ATOM 0 HA LEU A 5 -35.927 12.189 15.452 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -38.842 11.834 16.133 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -37.859 10.465 15.652 1.00 20.00 H new ATOM 0 HG LEU A 5 -36.276 11.032 17.532 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -37.116 12.447 19.360 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -36.873 13.369 17.857 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -38.515 12.900 18.358 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -37.739 10.075 19.283 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -39.160 10.410 18.265 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -37.935 9.238 17.725 1.00 20.00 H new ATOM 212 N SER A 6 -36.378 12.604 12.900 1.00 20.00 N ATOM 213 CA SER A 6 -36.479 12.382 11.470 1.00 20.00 C ATOM 214 C SER A 6 -35.651 11.165 11.070 1.00 20.00 C ATOM 215 O SER A 6 -34.421 11.213 11.088 1.00 20.00 O ATOM 216 CB SER A 6 -35.989 13.618 10.711 1.00 20.00 C ATOM 217 OG SER A 6 -36.597 14.799 11.210 1.00 20.00 O ATOM 0 H SER A 6 -35.603 13.207 13.176 1.00 20.00 H new ATOM 0 HA SER A 6 -37.523 12.200 11.215 1.00 20.00 H new ATOM 0 HB2 SER A 6 -34.906 13.698 10.800 1.00 20.00 H new ATOM 0 HB3 SER A 6 -36.214 13.510 9.650 1.00 20.00 H new ATOM 0 HG SER A 6 -36.266 15.574 10.710 1.00 20.00 H new ATOM 223 N PRO A 7 -36.317 10.046 10.724 1.00 20.00 N ATOM 224 CA PRO A 7 -35.636 8.825 10.277 1.00 20.00 C ATOM 225 C PRO A 7 -34.725 9.099 9.089 1.00 20.00 C ATOM 226 O PRO A 7 -33.668 8.479 8.964 1.00 20.00 O ATOM 227 CB PRO A 7 -36.787 7.897 9.871 1.00 20.00 C ATOM 228 CG PRO A 7 -37.960 8.390 10.643 1.00 20.00 C ATOM 229 CD PRO A 7 -37.783 9.879 10.749 1.00 20.00 C ATOM 0 HA PRO A 7 -34.994 8.401 11.049 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -36.972 7.942 8.798 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -36.562 6.858 10.113 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -38.893 8.142 10.137 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -38.000 7.930 11.630 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -38.262 10.402 9.921 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -38.218 10.272 11.668 1.00 20.00 H new ATOM 237 N MET A 8 -35.137 10.035 8.234 1.00 20.00 N ATOM 238 CA MET A 8 -34.316 10.488 7.114 1.00 20.00 C ATOM 239 C MET A 8 -33.824 9.296 6.298 1.00 20.00 C ATOM 240 O MET A 8 -32.627 9.136 6.057 1.00 20.00 O ATOM 241 CB MET A 8 -33.132 11.310 7.638 1.00 20.00 C ATOM 242 CG MET A 8 -32.460 12.176 6.585 1.00 20.00 C ATOM 243 SD MET A 8 -33.553 13.469 5.961 1.00 20.00 S ATOM 244 CE MET A 8 -32.431 14.384 4.906 1.00 20.00 C ATOM 0 H MET A 8 -36.044 10.497 8.298 1.00 20.00 H new ATOM 0 HA MET A 8 -34.921 11.119 6.462 1.00 20.00 H new ATOM 0 HB2 MET A 8 -33.479 11.949 8.450 1.00 20.00 H new ATOM 0 HB3 MET A 8 -32.391 10.631 8.060 1.00 20.00 H new ATOM 0 HG2 MET A 8 -31.566 12.633 7.010 1.00 20.00 H new ATOM 0 HG3 MET A 8 -32.134 11.548 5.756 1.00 20.00 H new ATOM 0 HE1 MET A 8 -32.962 15.218 4.447 1.00 20.00 H new ATOM 0 HE2 MET A 8 -31.601 14.765 5.501 1.00 20.00 H new ATOM 0 HE3 MET A 8 -32.046 13.726 4.127 1.00 20.00 H new ATOM 254 N VAL A 9 -34.760 8.452 5.892 1.00 20.00 N ATOM 255 CA VAL A 9 -34.428 7.240 5.158 1.00 20.00 C ATOM 256 C VAL A 9 -34.622 7.437 3.659 1.00 20.00 C ATOM 257 O VAL A 9 -35.058 6.535 2.940 1.00 20.00 O ATOM 258 CB VAL A 9 -35.254 6.026 5.637 1.00 20.00 C ATOM 259 CG1 VAL A 9 -34.828 5.613 7.036 1.00 20.00 C ATOM 260 CG2 VAL A 9 -36.747 6.329 5.607 1.00 20.00 C ATOM 0 H VAL A 9 -35.758 8.584 6.059 1.00 20.00 H new ATOM 0 HA VAL A 9 -33.377 7.032 5.357 1.00 20.00 H new ATOM 0 HB VAL A 9 -35.063 5.200 4.952 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -35.420 4.756 7.359 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -33.772 5.343 7.030 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -34.986 6.443 7.724 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -37.302 5.456 5.949 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -36.960 7.174 6.262 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -37.048 6.574 4.588 1.00 20.00 H new ATOM 270 N SER A 10 -34.294 8.630 3.199 1.00 20.00 N ATOM 271 CA SER A 10 -34.342 8.944 1.787 1.00 20.00 C ATOM 272 C SER A 10 -33.067 8.454 1.108 1.00 20.00 C ATOM 273 O SER A 10 -31.991 9.037 1.270 1.00 20.00 O ATOM 274 CB SER A 10 -34.530 10.450 1.597 1.00 20.00 C ATOM 275 OG SER A 10 -33.869 11.176 2.624 1.00 20.00 O ATOM 0 H SER A 10 -33.989 9.403 3.791 1.00 20.00 H new ATOM 0 HA SER A 10 -35.189 8.437 1.326 1.00 20.00 H new ATOM 0 HB2 SER A 10 -34.139 10.750 0.625 1.00 20.00 H new ATOM 0 HB3 SER A 10 -35.593 10.691 1.601 1.00 20.00 H new ATOM 0 HG SER A 10 -34.001 12.137 2.482 1.00 20.00 H new ATOM 281 N GLU A 11 -33.186 7.360 0.373 1.00 20.00 N ATOM 282 CA GLU A 11 -32.034 6.742 -0.257 1.00 20.00 C ATOM 283 C GLU A 11 -31.715 7.416 -1.579 1.00 20.00 C ATOM 284 O GLU A 11 -32.438 7.256 -2.561 1.00 20.00 O ATOM 285 CB GLU A 11 -32.276 5.252 -0.491 1.00 20.00 C ATOM 286 CG GLU A 11 -32.588 4.465 0.768 1.00 20.00 C ATOM 287 CD GLU A 11 -32.694 2.982 0.498 1.00 20.00 C ATOM 288 OE1 GLU A 11 -31.723 2.408 -0.034 1.00 20.00 O ATOM 289 OE2 GLU A 11 -33.756 2.389 0.788 1.00 20.00 O ATOM 0 H GLU A 11 -34.070 6.882 0.199 1.00 20.00 H new ATOM 0 HA GLU A 11 -31.186 6.863 0.417 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -33.102 5.136 -1.192 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -31.393 4.822 -0.965 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -31.809 4.644 1.509 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -33.524 4.823 1.197 1.00 20.00 H new ATOM 296 N PHE A 12 -30.648 8.195 -1.592 1.00 20.00 N ATOM 297 CA PHE A 12 -30.177 8.814 -2.819 1.00 20.00 C ATOM 298 C PHE A 12 -28.780 8.309 -3.150 1.00 20.00 C ATOM 299 O PHE A 12 -28.086 8.865 -4.002 1.00 20.00 O ATOM 300 CB PHE A 12 -30.188 10.344 -2.694 1.00 20.00 C ATOM 301 CG PHE A 12 -29.248 10.896 -1.648 1.00 20.00 C ATOM 302 CD1 PHE A 12 -29.578 10.856 -0.302 1.00 20.00 C ATOM 303 CD2 PHE A 12 -28.037 11.466 -2.018 1.00 20.00 C ATOM 304 CE1 PHE A 12 -28.720 11.370 0.651 1.00 20.00 C ATOM 305 CE2 PHE A 12 -27.177 11.979 -1.067 1.00 20.00 C ATOM 306 CZ PHE A 12 -27.518 11.931 0.267 1.00 20.00 C ATOM 0 H PHE A 12 -30.091 8.414 -0.766 1.00 20.00 H new ATOM 0 HA PHE A 12 -30.850 8.540 -3.632 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -29.929 10.776 -3.661 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -31.202 10.669 -2.460 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -30.516 10.418 0.005 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -27.764 11.509 -3.062 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -28.989 11.333 1.696 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -26.237 12.418 -1.369 1.00 20.00 H new ATOM 0 HZ PHE A 12 -26.846 12.332 1.012 1.00 20.00 H new ATOM 316 N GLU A 13 -28.388 7.240 -2.468 1.00 20.00 N ATOM 317 CA GLU A 13 -27.056 6.671 -2.624 1.00 20.00 C ATOM 318 C GLU A 13 -27.061 5.168 -2.331 1.00 20.00 C ATOM 319 O GLU A 13 -26.065 4.605 -1.877 1.00 20.00 O ATOM 320 CB GLU A 13 -26.066 7.388 -1.701 1.00 20.00 C ATOM 321 CG GLU A 13 -26.433 7.315 -0.225 1.00 20.00 C ATOM 322 CD GLU A 13 -25.416 8.001 0.657 1.00 20.00 C ATOM 323 OE1 GLU A 13 -24.403 7.364 1.016 1.00 20.00 O ATOM 324 OE2 GLU A 13 -25.624 9.184 1.002 1.00 20.00 O ATOM 0 H GLU A 13 -28.978 6.747 -1.798 1.00 20.00 H new ATOM 0 HA GLU A 13 -26.744 6.812 -3.659 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -25.076 6.955 -1.841 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -26.001 8.435 -1.998 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -27.410 7.774 -0.073 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -26.522 6.270 0.073 1.00 20.00 H new ATOM 331 N THR A 14 -28.202 4.537 -2.607 1.00 20.00 N ATOM 332 CA THR A 14 -28.414 3.099 -2.373 1.00 20.00 C ATOM 333 C THR A 14 -28.001 2.670 -0.963 1.00 20.00 C ATOM 334 O THR A 14 -26.992 1.990 -0.774 1.00 20.00 O ATOM 335 CB THR A 14 -27.686 2.221 -3.422 1.00 20.00 C ATOM 336 OG1 THR A 14 -26.289 2.538 -3.468 1.00 20.00 O ATOM 337 CG2 THR A 14 -28.295 2.405 -4.803 1.00 20.00 C ATOM 0 H THR A 14 -29.015 5.009 -3.003 1.00 20.00 H new ATOM 0 HA THR A 14 -29.488 2.941 -2.477 1.00 20.00 H new ATOM 0 HB THR A 14 -27.806 1.180 -3.120 1.00 20.00 H new ATOM 0 HG1 THR A 14 -26.040 3.036 -2.661 1.00 20.00 H new ATOM 0 HG21 THR A 14 -27.766 1.778 -5.520 1.00 20.00 H new ATOM 0 HG22 THR A 14 -29.347 2.120 -4.778 1.00 20.00 H new ATOM 0 HG23 THR A 14 -28.210 3.450 -5.102 1.00 20.00 H new ATOM 345 N ILE A 15 -28.803 3.051 0.019 1.00 20.00 N ATOM 346 CA ILE A 15 -28.530 2.711 1.410 1.00 20.00 C ATOM 347 C ILE A 15 -28.841 1.237 1.654 1.00 20.00 C ATOM 348 O ILE A 15 -28.240 0.588 2.513 1.00 20.00 O ATOM 349 CB ILE A 15 -29.368 3.587 2.368 1.00 20.00 C ATOM 350 CG1 ILE A 15 -29.058 5.072 2.148 1.00 20.00 C ATOM 351 CG2 ILE A 15 -29.111 3.200 3.816 1.00 20.00 C ATOM 352 CD1 ILE A 15 -29.860 6.002 3.032 1.00 20.00 C ATOM 0 H ILE A 15 -29.652 3.598 -0.121 1.00 20.00 H new ATOM 0 HA ILE A 15 -27.474 2.898 1.607 1.00 20.00 H new ATOM 0 HB ILE A 15 -30.422 3.417 2.150 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -27.996 5.242 2.327 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -29.250 5.323 1.105 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -29.711 3.830 4.473 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -29.382 2.155 3.967 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -28.055 3.338 4.047 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -29.585 7.035 2.818 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -30.923 5.862 2.837 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -29.650 5.780 4.078 1.00 20.00 H new ATOM 364 N GLU A 16 -29.780 0.725 0.868 1.00 20.00 N ATOM 365 CA GLU A 16 -30.199 -0.673 0.925 1.00 20.00 C ATOM 366 C GLU A 16 -29.021 -1.653 0.888 1.00 20.00 C ATOM 367 O GLU A 16 -29.120 -2.759 1.417 1.00 20.00 O ATOM 368 CB GLU A 16 -31.160 -0.975 -0.227 1.00 20.00 C ATOM 369 CG GLU A 16 -30.579 -0.694 -1.606 1.00 20.00 C ATOM 370 CD GLU A 16 -31.572 -0.950 -2.716 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.441 -0.084 -2.953 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.486 -2.015 -3.363 1.00 20.00 O ATOM 0 H GLU A 16 -30.278 1.272 0.166 1.00 20.00 H new ATOM 0 HA GLU A 16 -30.701 -0.814 1.882 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.456 -2.023 -0.175 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.065 -0.381 -0.097 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.247 0.343 -1.652 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -29.698 -1.318 -1.760 1.00 20.00 H new ATOM 379 N GLN A 17 -27.909 -1.247 0.279 1.00 20.00 N ATOM 380 CA GLN A 17 -26.732 -2.110 0.186 1.00 20.00 C ATOM 381 C GLN A 17 -26.193 -2.464 1.570 1.00 20.00 C ATOM 382 O GLN A 17 -25.749 -3.588 1.802 1.00 20.00 O ATOM 383 CB GLN A 17 -25.625 -1.454 -0.646 1.00 20.00 C ATOM 384 CG GLN A 17 -25.918 -1.394 -2.136 1.00 20.00 C ATOM 385 CD GLN A 17 -24.700 -0.998 -2.953 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.911 -1.854 -3.360 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.540 0.290 -3.214 1.00 20.00 N ATOM 0 H GLN A 17 -27.798 -0.331 -0.156 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.048 -3.027 -0.312 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.461 -0.441 -0.278 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -24.696 -2.003 -0.492 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.276 -2.367 -2.472 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.721 -0.679 -2.317 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.213 0.970 -2.860 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -23.743 0.603 -3.769 1.00 20.00 H new ATOM 396 N GLU A 18 -26.253 -1.516 2.495 1.00 20.00 N ATOM 397 CA GLU A 18 -25.745 -1.740 3.843 1.00 20.00 C ATOM 398 C GLU A 18 -26.706 -2.596 4.653 1.00 20.00 C ATOM 399 O GLU A 18 -26.293 -3.301 5.569 1.00 20.00 O ATOM 400 CB GLU A 18 -25.487 -0.411 4.564 1.00 20.00 C ATOM 401 CG GLU A 18 -24.138 0.223 4.244 1.00 20.00 C ATOM 402 CD GLU A 18 -23.940 0.500 2.770 1.00 20.00 C ATOM 403 OE1 GLU A 18 -24.390 1.563 2.297 1.00 20.00 O ATOM 404 OE2 GLU A 18 -23.311 -0.335 2.080 1.00 20.00 O ATOM 0 H GLU A 18 -26.646 -0.588 2.339 1.00 20.00 H new ATOM 0 HA GLU A 18 -24.798 -2.273 3.752 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.278 0.292 4.300 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -25.552 -0.576 5.640 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -24.043 1.157 4.798 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -23.343 -0.436 4.592 1.00 20.00 H new ATOM 411 N ASN A 19 -27.983 -2.542 4.299 1.00 20.00 N ATOM 412 CA ASN A 19 -29.007 -3.349 4.966 1.00 20.00 C ATOM 413 C ASN A 19 -29.058 -4.747 4.358 1.00 20.00 C ATOM 414 O ASN A 19 -29.628 -5.675 4.932 1.00 20.00 O ATOM 415 CB ASN A 19 -30.385 -2.685 4.860 1.00 20.00 C ATOM 416 CG ASN A 19 -30.505 -1.431 5.707 1.00 20.00 C ATOM 417 OD1 ASN A 19 -29.891 -1.322 6.770 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.298 -0.472 5.244 1.00 20.00 N ATOM 0 H ASN A 19 -28.340 -1.947 3.551 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.741 -3.426 6.020 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.582 -2.433 3.818 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.151 -3.398 5.166 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.415 0.392 5.773 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.790 -0.600 4.359 1.00 20.00 H new ATOM 425 N SER A 20 -28.444 -4.882 3.192 1.00 20.00 N ATOM 426 CA SER A 20 -28.435 -6.135 2.449 1.00 20.00 C ATOM 427 C SER A 20 -27.541 -7.180 3.119 1.00 20.00 C ATOM 428 O SER A 20 -27.558 -8.350 2.735 1.00 20.00 O ATOM 429 CB SER A 20 -27.974 -5.890 1.007 1.00 20.00 C ATOM 430 OG SER A 20 -28.065 -7.071 0.225 1.00 20.00 O ATOM 0 H SER A 20 -27.937 -4.125 2.733 1.00 20.00 H new ATOM 0 HA SER A 20 -29.453 -6.525 2.440 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.584 -5.106 0.557 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.945 -5.532 1.009 1.00 20.00 H new ATOM 0 HG SER A 20 -28.023 -7.855 0.811 1.00 20.00 H new ATOM 436 N TYR A 21 -26.757 -6.751 4.111 1.00 20.00 N ATOM 437 CA TYR A 21 -25.793 -7.628 4.781 1.00 20.00 C ATOM 438 C TYR A 21 -26.455 -8.901 5.317 1.00 20.00 C ATOM 439 O TYR A 21 -25.824 -9.951 5.376 1.00 20.00 O ATOM 440 CB TYR A 21 -25.076 -6.882 5.920 1.00 20.00 C ATOM 441 CG TYR A 21 -25.933 -6.584 7.137 1.00 20.00 C ATOM 442 CD1 TYR A 21 -26.990 -5.689 7.068 1.00 20.00 C ATOM 443 CD2 TYR A 21 -25.670 -7.189 8.362 1.00 20.00 C ATOM 444 CE1 TYR A 21 -27.760 -5.404 8.177 1.00 20.00 C ATOM 445 CE2 TYR A 21 -26.438 -6.911 9.477 1.00 20.00 C ATOM 446 CZ TYR A 21 -27.482 -6.016 9.378 1.00 20.00 C ATOM 447 OH TYR A 21 -28.250 -5.730 10.484 1.00 20.00 O ATOM 0 H TYR A 21 -26.771 -5.796 4.470 1.00 20.00 H new ATOM 0 HA TYR A 21 -25.057 -7.925 4.034 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.217 -7.474 6.236 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.688 -5.941 5.529 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -27.215 -5.206 6.129 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.851 -7.888 8.443 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -28.578 -4.703 8.103 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -26.222 -7.392 10.420 1.00 20.00 H new ATOM 0 HH TYR A 21 -27.924 -6.246 11.251 1.00 20.00 H new ATOM 457 N ASN A 22 -27.728 -8.808 5.685 1.00 20.00 N ATOM 458 CA ASN A 22 -28.467 -9.966 6.191 1.00 20.00 C ATOM 459 C ASN A 22 -28.550 -11.063 5.134 1.00 20.00 C ATOM 460 O ASN A 22 -28.385 -12.243 5.436 1.00 20.00 O ATOM 461 CB ASN A 22 -29.877 -9.562 6.636 1.00 20.00 C ATOM 462 CG ASN A 22 -29.869 -8.698 7.884 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.016 -8.853 8.757 1.00 20.00 O ATOM 464 ND2 ASN A 22 -30.814 -7.774 7.972 1.00 20.00 N ATOM 0 H ASN A 22 -28.272 -7.946 5.644 1.00 20.00 H new ATOM 0 HA ASN A 22 -27.925 -10.353 7.054 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -30.369 -9.021 5.827 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -30.466 -10.460 6.824 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.852 -7.159 8.785 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -31.503 -7.677 7.227 1.00 20.00 H new ATOM 471 N GLU A 23 -28.788 -10.666 3.892 1.00 20.00 N ATOM 472 CA GLU A 23 -28.883 -11.616 2.792 1.00 20.00 C ATOM 473 C GLU A 23 -27.488 -11.957 2.275 1.00 20.00 C ATOM 474 O GLU A 23 -27.229 -13.077 1.834 1.00 20.00 O ATOM 475 CB GLU A 23 -29.741 -11.039 1.661 1.00 20.00 C ATOM 476 CG GLU A 23 -29.953 -11.999 0.502 1.00 20.00 C ATOM 477 CD GLU A 23 -30.769 -11.387 -0.616 1.00 20.00 C ATOM 478 OE1 GLU A 23 -32.013 -11.502 -0.585 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.175 -10.790 -1.539 1.00 20.00 O ATOM 0 H GLU A 23 -28.919 -9.692 3.620 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.357 -12.527 3.156 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -30.712 -10.751 2.064 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.269 -10.131 1.287 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.984 -12.311 0.111 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.455 -12.896 0.865 1.00 20.00 H new ATOM 486 N TRP A 24 -26.592 -10.983 2.351 1.00 20.00 N ATOM 487 CA TRP A 24 -25.219 -11.162 1.907 1.00 20.00 C ATOM 488 C TRP A 24 -24.505 -12.183 2.790 1.00 20.00 C ATOM 489 O TRP A 24 -23.688 -12.973 2.314 1.00 20.00 O ATOM 490 CB TRP A 24 -24.477 -9.821 1.934 1.00 20.00 C ATOM 491 CG TRP A 24 -23.124 -9.868 1.293 1.00 20.00 C ATOM 492 CD1 TRP A 24 -22.838 -9.656 -0.025 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.875 -10.143 1.937 1.00 20.00 C ATOM 494 NE1 TRP A 24 -21.489 -9.785 -0.240 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.875 -10.084 0.947 1.00 20.00 C ATOM 496 CE3 TRP A 24 -21.505 -10.435 3.253 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.532 -10.303 1.234 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -20.171 -10.653 3.535 1.00 20.00 C ATOM 499 CH2 TRP A 24 -19.198 -10.587 2.530 1.00 20.00 C ATOM 0 H TRP A 24 -26.795 -10.054 2.719 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.227 -11.536 0.883 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -25.083 -9.070 1.427 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -24.368 -9.497 2.969 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -23.567 -9.421 -0.787 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -21.019 -9.676 -1.139 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.249 -10.489 4.034 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.779 -10.251 0.461 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.873 -10.878 4.548 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -18.163 -10.764 2.783 1.00 20.00 H new ATOM 510 N LEU A 25 -24.837 -12.175 4.077 1.00 20.00 N ATOM 511 CA LEU A 25 -24.244 -13.103 5.030 1.00 20.00 C ATOM 512 C LEU A 25 -24.620 -14.536 4.651 1.00 20.00 C ATOM 513 O LEU A 25 -23.807 -15.454 4.765 1.00 20.00 O ATOM 514 CB LEU A 25 -24.713 -12.763 6.456 1.00 20.00 C ATOM 515 CG LEU A 25 -23.812 -13.235 7.613 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.911 -14.737 7.823 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.363 -12.831 7.370 1.00 20.00 C ATOM 0 H LEU A 25 -25.517 -11.533 4.484 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.158 -13.013 5.002 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.822 -11.681 6.529 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.704 -13.193 6.600 1.00 20.00 H new ATOM 0 HG LEU A 25 -24.166 -12.745 8.520 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.262 -15.033 8.647 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.941 -15.004 8.059 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.601 -15.253 6.914 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.745 -13.175 8.200 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.010 -13.283 6.443 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -22.296 -11.746 7.293 1.00 20.00 H new ATOM 529 N ARG A 26 -25.845 -14.708 4.162 1.00 20.00 N ATOM 530 CA ARG A 26 -26.325 -16.009 3.704 1.00 20.00 C ATOM 531 C ARG A 26 -25.458 -16.517 2.556 1.00 20.00 C ATOM 532 O ARG A 26 -25.174 -17.714 2.449 1.00 20.00 O ATOM 533 CB ARG A 26 -27.783 -15.901 3.245 1.00 20.00 C ATOM 534 CG ARG A 26 -28.398 -17.225 2.814 1.00 20.00 C ATOM 535 CD ARG A 26 -29.678 -17.013 2.019 1.00 20.00 C ATOM 536 NE ARG A 26 -30.641 -16.174 2.734 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.569 -15.424 2.135 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.679 -15.420 0.812 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.394 -14.680 2.860 1.00 20.00 N ATOM 0 H ARG A 26 -26.528 -13.956 4.072 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.264 -16.714 4.533 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.378 -15.483 4.057 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.840 -15.198 2.414 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -27.681 -17.781 2.210 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.611 -17.832 3.694 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.437 -16.551 1.062 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.132 -17.979 1.801 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.601 -16.162 3.753 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.052 -15.992 0.246 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.390 -14.845 0.361 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.320 -14.680 3.877 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.102 -14.108 2.400 1.00 20.00 H new ATOM 553 N ALA A 27 -25.031 -15.593 1.705 1.00 20.00 N ATOM 554 CA ALA A 27 -24.192 -15.924 0.565 1.00 20.00 C ATOM 555 C ALA A 27 -22.795 -16.320 1.017 1.00 20.00 C ATOM 556 O ALA A 27 -22.114 -17.110 0.362 1.00 20.00 O ATOM 557 CB ALA A 27 -24.121 -14.751 -0.395 1.00 20.00 C ATOM 0 H ALA A 27 -25.255 -14.601 1.786 1.00 20.00 H new ATOM 0 HA ALA A 27 -24.638 -16.774 0.049 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.489 -15.013 -1.244 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.123 -14.510 -0.749 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.699 -13.886 0.118 1.00 20.00 H new ATOM 563 N LYS A 28 -22.381 -15.776 2.151 1.00 20.00 N ATOM 564 CA LYS A 28 -21.054 -16.038 2.679 1.00 20.00 C ATOM 565 C LYS A 28 -21.033 -17.353 3.452 1.00 20.00 C ATOM 566 O LYS A 28 -19.996 -18.011 3.548 1.00 20.00 O ATOM 567 CB LYS A 28 -20.592 -14.878 3.575 1.00 20.00 C ATOM 568 CG LYS A 28 -19.113 -14.929 3.955 1.00 20.00 C ATOM 569 CD LYS A 28 -18.214 -14.258 2.913 1.00 20.00 C ATOM 570 CE LYS A 28 -18.363 -14.866 1.522 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.387 -14.303 0.554 1.00 20.00 N ATOM 0 H LYS A 28 -22.947 -15.149 2.723 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.362 -16.123 1.841 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.791 -13.937 3.063 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.190 -14.878 4.487 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -18.972 -14.441 4.919 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.809 -15.969 4.077 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.451 -13.195 2.867 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -17.174 -14.340 3.230 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.229 -15.946 1.584 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -19.375 -14.691 1.158 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.526 -14.746 -0.377 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.531 -13.276 0.474 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -16.420 -14.492 0.886 1.00 20.00 H new ATOM 585 N VAL A 29 -22.179 -17.738 4.006 1.00 20.00 N ATOM 586 CA VAL A 29 -22.288 -19.013 4.697 1.00 20.00 C ATOM 587 C VAL A 29 -22.135 -20.163 3.708 1.00 20.00 C ATOM 588 O VAL A 29 -21.145 -20.895 3.751 1.00 20.00 O ATOM 589 CB VAL A 29 -23.624 -19.157 5.462 1.00 20.00 C ATOM 590 CG1 VAL A 29 -23.749 -20.542 6.081 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.744 -18.090 6.535 1.00 20.00 C ATOM 0 H VAL A 29 -23.038 -17.188 3.989 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.484 -19.047 5.432 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.436 -19.025 4.747 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.697 -20.618 6.614 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -23.713 -21.296 5.295 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -22.927 -20.704 6.778 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.691 -18.209 7.062 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.920 -18.191 7.242 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.707 -17.104 6.073 1.00 20.00 H new ATOM 601 N ALA A 30 -23.099 -20.293 2.801 1.00 20.00 N ATOM 602 CA ALA A 30 -23.082 -21.352 1.797 1.00 20.00 C ATOM 603 C ALA A 30 -24.262 -21.221 0.846 1.00 20.00 C ATOM 604 O ALA A 30 -24.174 -21.585 -0.329 1.00 20.00 O ATOM 605 CB ALA A 30 -23.095 -22.728 2.452 1.00 20.00 C ATOM 0 H ALA A 30 -23.907 -19.673 2.741 1.00 20.00 H new ATOM 0 HA ALA A 30 -22.160 -21.246 1.226 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -23.082 -23.498 1.681 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -22.217 -22.836 3.088 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -23.996 -22.835 3.056 1.00 20.00 H new ATOM 611 N THR A 31 -25.372 -20.703 1.379 1.00 20.00 N ATOM 612 CA THR A 31 -26.596 -20.490 0.609 1.00 20.00 C ATOM 613 C THR A 31 -27.152 -21.825 0.108 1.00 20.00 C ATOM 614 O THR A 31 -27.862 -21.878 -0.894 1.00 20.00 O ATOM 615 CB THR A 31 -26.343 -19.543 -0.585 1.00 20.00 C ATOM 616 OG1 THR A 31 -25.413 -18.525 -0.201 1.00 20.00 O ATOM 617 CG2 THR A 31 -27.635 -18.883 -1.050 1.00 20.00 C ATOM 0 H THR A 31 -25.445 -20.420 2.356 1.00 20.00 H new ATOM 0 HA THR A 31 -27.329 -20.025 1.268 1.00 20.00 H new ATOM 0 HB THR A 31 -25.939 -20.136 -1.406 1.00 20.00 H new ATOM 0 HG1 THR A 31 -25.517 -18.330 0.754 1.00 20.00 H new ATOM 0 HG21 THR A 31 -27.424 -18.223 -1.891 1.00 20.00 H new ATOM 0 HG22 THR A 31 -28.344 -19.650 -1.360 1.00 20.00 H new ATOM 0 HG23 THR A 31 -28.062 -18.303 -0.232 1.00 20.00 H new ATOM 625 N SER A 32 -26.829 -22.896 0.840 1.00 20.00 N ATOM 626 CA SER A 32 -27.173 -24.268 0.452 1.00 20.00 C ATOM 627 C SER A 32 -26.799 -24.553 -1.007 1.00 20.00 C ATOM 628 O SER A 32 -27.513 -25.256 -1.723 1.00 20.00 O ATOM 629 CB SER A 32 -28.660 -24.570 0.715 1.00 20.00 C ATOM 630 OG SER A 32 -29.515 -23.575 0.172 1.00 20.00 O ATOM 0 H SER A 32 -26.320 -22.836 1.722 1.00 20.00 H new ATOM 0 HA SER A 32 -26.583 -24.938 1.077 1.00 20.00 H new ATOM 0 HB2 SER A 32 -28.914 -25.539 0.284 1.00 20.00 H new ATOM 0 HB3 SER A 32 -28.829 -24.645 1.789 1.00 20.00 H new ATOM 0 HG SER A 32 -29.053 -23.108 -0.556 1.00 20.00 H new ATOM 636 N LEU A 33 -25.671 -23.997 -1.436 1.00 20.00 N ATOM 637 CA LEU A 33 -25.180 -24.206 -2.791 1.00 20.00 C ATOM 638 C LEU A 33 -23.877 -24.991 -2.757 1.00 20.00 C ATOM 639 O LEU A 33 -22.868 -24.504 -2.240 1.00 20.00 O ATOM 640 CB LEU A 33 -24.964 -22.863 -3.501 1.00 20.00 C ATOM 641 CG LEU A 33 -26.202 -21.969 -3.626 1.00 20.00 C ATOM 642 CD1 LEU A 33 -25.839 -20.642 -4.271 1.00 20.00 C ATOM 643 CD2 LEU A 33 -27.297 -22.662 -4.422 1.00 20.00 C ATOM 0 H LEU A 33 -25.079 -23.397 -0.862 1.00 20.00 H new ATOM 0 HA LEU A 33 -25.927 -24.775 -3.345 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -24.192 -22.310 -2.965 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -24.579 -23.060 -4.501 1.00 20.00 H new ATOM 0 HG LEU A 33 -26.581 -21.777 -2.622 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -26.731 -20.021 -4.351 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -25.095 -20.132 -3.659 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -25.430 -20.821 -5.266 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -28.164 -22.006 -4.496 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -26.930 -22.892 -5.422 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -27.583 -23.586 -3.919 1.00 20.00 H new ATOM 655 N ALA A 34 -23.920 -26.212 -3.290 1.00 20.00 N ATOM 656 CA ALA A 34 -22.762 -27.105 -3.320 1.00 20.00 C ATOM 657 C ALA A 34 -22.256 -27.392 -1.911 1.00 20.00 C ATOM 658 O ALA A 34 -21.065 -27.611 -1.691 1.00 20.00 O ATOM 659 CB ALA A 34 -21.655 -26.525 -4.188 1.00 20.00 C ATOM 0 H ALA A 34 -24.759 -26.610 -3.713 1.00 20.00 H new ATOM 0 HA ALA A 34 -23.077 -28.051 -3.761 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -20.804 -27.206 -4.196 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -22.022 -26.392 -5.206 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -21.345 -25.561 -3.786 1.00 20.00 H new ATOM 665 N ASP A 35 -23.177 -27.393 -0.964 1.00 20.00 N ATOM 666 CA ASP A 35 -22.849 -27.659 0.427 1.00 20.00 C ATOM 667 C ASP A 35 -23.305 -29.061 0.796 1.00 20.00 C ATOM 668 O ASP A 35 -24.442 -29.439 0.515 1.00 20.00 O ATOM 669 CB ASP A 35 -23.520 -26.631 1.345 1.00 20.00 C ATOM 670 CG ASP A 35 -23.153 -26.831 2.804 1.00 20.00 C ATOM 671 OD1 ASP A 35 -23.826 -27.623 3.492 1.00 20.00 O ATOM 672 OD2 ASP A 35 -22.184 -26.195 3.267 1.00 20.00 O ATOM 0 H ASP A 35 -24.166 -27.211 -1.134 1.00 20.00 H new ATOM 0 HA ASP A 35 -21.769 -27.582 0.556 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -23.230 -25.627 1.035 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -24.602 -26.699 1.233 1.00 20.00 H new ATOM 677 N PRO A 36 -22.414 -29.854 1.418 1.00 20.00 N ATOM 678 CA PRO A 36 -22.693 -31.255 1.769 1.00 20.00 C ATOM 679 C PRO A 36 -23.887 -31.413 2.708 1.00 20.00 C ATOM 680 O PRO A 36 -24.493 -32.486 2.750 1.00 20.00 O ATOM 681 CB PRO A 36 -21.405 -31.723 2.462 1.00 20.00 C ATOM 682 CG PRO A 36 -20.694 -30.476 2.858 1.00 20.00 C ATOM 683 CD PRO A 36 -21.057 -29.451 1.823 1.00 20.00 C ATOM 0 HA PRO A 36 -22.956 -31.836 0.885 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -21.629 -32.341 3.332 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -20.795 -32.327 1.791 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -20.999 -30.152 3.853 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -19.616 -30.634 2.890 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -21.042 -28.441 2.233 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -20.364 -29.464 0.982 1.00 20.00 H new ATOM 691 N ARG A 37 -24.231 -30.350 3.433 1.00 20.00 N ATOM 692 CA ARG A 37 -25.360 -30.371 4.363 1.00 20.00 C ATOM 693 C ARG A 37 -25.230 -31.510 5.376 1.00 20.00 C ATOM 694 O ARG A 37 -25.832 -32.576 5.208 1.00 20.00 O ATOM 695 CB ARG A 37 -26.684 -30.488 3.600 1.00 20.00 C ATOM 696 CG ARG A 37 -27.025 -29.255 2.779 1.00 20.00 C ATOM 697 CD ARG A 37 -28.241 -29.487 1.895 1.00 20.00 C ATOM 698 NE ARG A 37 -27.976 -30.470 0.844 1.00 20.00 N ATOM 699 CZ ARG A 37 -28.862 -30.828 -0.084 1.00 20.00 C ATOM 700 NH1 ARG A 37 -30.084 -30.305 -0.088 1.00 20.00 N ATOM 701 NH2 ARG A 37 -28.524 -31.711 -1.011 1.00 20.00 N ATOM 0 H ARG A 37 -23.740 -29.457 3.394 1.00 20.00 H new ATOM 0 HA ARG A 37 -25.352 -29.430 4.913 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -26.637 -31.353 2.938 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -27.488 -30.674 4.312 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -27.215 -28.414 3.446 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -26.171 -28.983 2.159 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -29.075 -29.828 2.508 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -28.544 -28.544 1.441 1.00 20.00 H new ATOM 0 HE ARG A 37 -27.055 -30.908 0.821 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -30.350 -29.624 0.623 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -30.756 -30.585 -0.802 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -27.587 -32.115 -1.013 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -29.200 -31.987 -1.723 1.00 20.00 H new ATOM 715 N PRO A 38 -24.427 -31.300 6.437 1.00 20.00 N ATOM 716 CA PRO A 38 -24.244 -32.291 7.507 1.00 20.00 C ATOM 717 C PRO A 38 -25.565 -32.633 8.190 1.00 20.00 C ATOM 718 O PRO A 38 -26.535 -31.878 8.078 1.00 20.00 O ATOM 719 CB PRO A 38 -23.292 -31.597 8.494 1.00 20.00 C ATOM 720 CG PRO A 38 -23.357 -30.148 8.153 1.00 20.00 C ATOM 721 CD PRO A 38 -23.636 -30.083 6.679 1.00 20.00 C ATOM 0 HA PRO A 38 -23.855 -33.236 7.128 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -23.599 -31.772 9.525 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -22.276 -31.979 8.395 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -24.141 -29.648 8.721 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -22.420 -29.647 8.395 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -24.189 -29.183 6.412 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -22.716 -30.077 6.094 1.00 20.00 H new ATOM 729 N ALA A 39 -25.588 -33.770 8.890 1.00 20.00 N ATOM 730 CA ALA A 39 -26.791 -34.258 9.561 1.00 20.00 C ATOM 731 C ALA A 39 -27.468 -33.158 10.366 1.00 20.00 C ATOM 732 O ALA A 39 -26.962 -32.731 11.406 1.00 20.00 O ATOM 733 CB ALA A 39 -26.457 -35.436 10.461 1.00 20.00 C ATOM 0 H ALA A 39 -24.775 -34.375 9.006 1.00 20.00 H new ATOM 0 HA ALA A 39 -27.488 -34.586 8.790 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -27.364 -35.787 10.953 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -26.034 -36.243 9.862 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -25.733 -35.125 11.214 1.00 20.00 H new ATOM 739 N ILE A 40 -28.613 -32.717 9.872 1.00 20.00 N ATOM 740 CA ILE A 40 -29.337 -31.601 10.456 1.00 20.00 C ATOM 741 C ILE A 40 -30.031 -32.022 11.746 1.00 20.00 C ATOM 742 O ILE A 40 -30.827 -32.964 11.747 1.00 20.00 O ATOM 743 CB ILE A 40 -30.394 -31.056 9.472 1.00 20.00 C ATOM 744 CG1 ILE A 40 -29.759 -30.744 8.112 1.00 20.00 C ATOM 745 CG2 ILE A 40 -31.052 -29.810 10.045 1.00 20.00 C ATOM 746 CD1 ILE A 40 -30.759 -30.340 7.052 1.00 20.00 C ATOM 0 H ILE A 40 -29.067 -33.123 9.054 1.00 20.00 H new ATOM 0 HA ILE A 40 -28.610 -30.818 10.675 1.00 20.00 H new ATOM 0 HB ILE A 40 -31.156 -31.822 9.327 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -29.031 -29.942 8.236 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -29.212 -31.621 7.767 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -31.796 -29.435 9.342 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -31.537 -30.056 10.989 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -30.295 -29.044 10.215 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -30.236 -30.135 6.118 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -31.473 -31.149 6.898 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -31.290 -29.444 7.375 1.00 20.00 H new ATOM 758 N PRO A 41 -29.715 -31.349 12.865 1.00 20.00 N ATOM 759 CA PRO A 41 -30.399 -31.576 14.142 1.00 20.00 C ATOM 760 C PRO A 41 -31.903 -31.350 14.005 1.00 20.00 C ATOM 761 O PRO A 41 -32.338 -30.351 13.426 1.00 20.00 O ATOM 762 CB PRO A 41 -29.786 -30.525 15.076 1.00 20.00 C ATOM 763 CG PRO A 41 -28.488 -30.143 14.450 1.00 20.00 C ATOM 764 CD PRO A 41 -28.663 -30.324 12.969 1.00 20.00 C ATOM 0 HA PRO A 41 -30.276 -32.596 14.505 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -30.442 -29.660 15.178 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -29.635 -30.930 16.077 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -28.231 -29.111 14.688 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -27.677 -30.768 14.825 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -28.960 -29.394 12.484 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -27.738 -30.650 12.493 1.00 20.00 H new ATOM 772 N HIS A 42 -32.697 -32.270 14.545 1.00 20.00 N ATOM 773 CA HIS A 42 -34.142 -32.237 14.353 1.00 20.00 C ATOM 774 C HIS A 42 -34.760 -31.027 15.043 1.00 20.00 C ATOM 775 O HIS A 42 -35.789 -30.518 14.604 1.00 20.00 O ATOM 776 CB HIS A 42 -34.789 -33.535 14.847 1.00 20.00 C ATOM 777 CG HIS A 42 -36.238 -33.665 14.471 1.00 20.00 C ATOM 778 ND1 HIS A 42 -36.650 -34.059 13.216 1.00 20.00 N ATOM 779 CD2 HIS A 42 -37.371 -33.449 15.184 1.00 20.00 C ATOM 780 CE1 HIS A 42 -37.969 -34.080 13.173 1.00 20.00 C ATOM 781 NE2 HIS A 42 -38.429 -33.715 14.353 1.00 20.00 N ATOM 0 H HIS A 42 -32.364 -33.046 15.118 1.00 20.00 H new ATOM 0 HA HIS A 42 -34.334 -32.148 13.284 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -34.239 -34.383 14.440 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -34.698 -33.587 15.932 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -37.429 -33.128 16.213 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -38.569 -34.350 12.317 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -39.414 -33.642 14.607 1.00 20.00 H new ATOM 790 N ASP A 43 -34.124 -30.560 16.111 1.00 20.00 N ATOM 791 CA ASP A 43 -34.587 -29.358 16.803 1.00 20.00 C ATOM 792 C ASP A 43 -34.308 -28.132 15.955 1.00 20.00 C ATOM 793 O ASP A 43 -35.030 -27.136 16.020 1.00 20.00 O ATOM 794 CB ASP A 43 -33.917 -29.196 18.172 1.00 20.00 C ATOM 795 CG ASP A 43 -34.374 -30.229 19.178 1.00 20.00 C ATOM 796 OD1 ASP A 43 -33.768 -31.321 19.237 1.00 20.00 O ATOM 797 OD2 ASP A 43 -35.342 -29.957 19.919 1.00 20.00 O ATOM 0 H ASP A 43 -33.292 -30.990 16.516 1.00 20.00 H new ATOM 0 HA ASP A 43 -35.660 -29.463 16.962 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -32.836 -29.267 18.052 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -34.130 -28.200 18.560 1.00 20.00 H new ATOM 802 N GLU A 44 -33.264 -28.216 15.144 1.00 20.00 N ATOM 803 CA GLU A 44 -32.900 -27.122 14.269 1.00 20.00 C ATOM 804 C GLU A 44 -33.818 -27.094 13.056 1.00 20.00 C ATOM 805 O GLU A 44 -34.122 -26.030 12.529 1.00 20.00 O ATOM 806 CB GLU A 44 -31.436 -27.228 13.837 1.00 20.00 C ATOM 807 CG GLU A 44 -31.018 -26.144 12.860 1.00 20.00 C ATOM 808 CD GLU A 44 -29.525 -26.084 12.654 1.00 20.00 C ATOM 809 OE1 GLU A 44 -28.831 -25.525 13.526 1.00 20.00 O ATOM 810 OE2 GLU A 44 -29.040 -26.580 11.617 1.00 20.00 O ATOM 0 H GLU A 44 -32.656 -29.033 15.077 1.00 20.00 H new ATOM 0 HA GLU A 44 -33.018 -26.188 14.819 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -30.799 -27.177 14.720 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -31.269 -28.203 13.380 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -31.505 -26.319 11.901 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -31.369 -25.178 13.224 1.00 20.00 H new ATOM 817 N VAL A 45 -34.264 -28.268 12.625 1.00 20.00 N ATOM 818 CA VAL A 45 -35.235 -28.363 11.540 1.00 20.00 C ATOM 819 C VAL A 45 -36.486 -27.568 11.895 1.00 20.00 C ATOM 820 O VAL A 45 -36.949 -26.735 11.115 1.00 20.00 O ATOM 821 CB VAL A 45 -35.618 -29.828 11.242 1.00 20.00 C ATOM 822 CG1 VAL A 45 -36.697 -29.903 10.172 1.00 20.00 C ATOM 823 CG2 VAL A 45 -34.396 -30.618 10.810 1.00 20.00 C ATOM 0 H VAL A 45 -33.970 -29.166 13.009 1.00 20.00 H new ATOM 0 HA VAL A 45 -34.773 -27.948 10.644 1.00 20.00 H new ATOM 0 HB VAL A 45 -36.015 -30.265 12.158 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -36.948 -30.946 9.981 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -37.586 -29.372 10.514 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -36.331 -29.444 9.254 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -34.683 -31.649 10.604 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -33.974 -30.172 9.909 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -33.652 -30.601 11.606 1.00 20.00 H new ATOM 833 N GLU A 46 -36.998 -27.812 13.097 1.00 20.00 N ATOM 834 CA GLU A 46 -38.164 -27.096 13.608 1.00 20.00 C ATOM 835 C GLU A 46 -37.902 -25.591 13.615 1.00 20.00 C ATOM 836 O GLU A 46 -38.777 -24.788 13.289 1.00 20.00 O ATOM 837 CB GLU A 46 -38.499 -27.563 15.030 1.00 20.00 C ATOM 838 CG GLU A 46 -38.535 -29.076 15.192 1.00 20.00 C ATOM 839 CD GLU A 46 -39.572 -29.744 14.313 1.00 20.00 C ATOM 840 OE1 GLU A 46 -39.258 -30.067 13.152 1.00 20.00 O ATOM 841 OE2 GLU A 46 -40.706 -29.961 14.787 1.00 20.00 O ATOM 0 H GLU A 46 -36.620 -28.507 13.741 1.00 20.00 H new ATOM 0 HA GLU A 46 -39.009 -27.310 12.954 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -37.762 -27.151 15.720 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -39.468 -27.154 15.317 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -37.552 -29.484 14.958 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -38.740 -29.319 16.235 1.00 20.00 H new ATOM 848 N ARG A 47 -36.679 -25.225 13.979 1.00 20.00 N ATOM 849 CA ARG A 47 -36.268 -23.826 14.034 1.00 20.00 C ATOM 850 C ARG A 47 -36.210 -23.221 12.631 1.00 20.00 C ATOM 851 O ARG A 47 -36.693 -22.109 12.404 1.00 20.00 O ATOM 852 CB ARG A 47 -34.900 -23.712 14.716 1.00 20.00 C ATOM 853 CG ARG A 47 -34.385 -22.286 14.838 1.00 20.00 C ATOM 854 CD ARG A 47 -32.978 -22.250 15.411 1.00 20.00 C ATOM 855 NE ARG A 47 -32.464 -20.888 15.524 1.00 20.00 N ATOM 856 CZ ARG A 47 -31.191 -20.591 15.782 1.00 20.00 C ATOM 857 NH1 ARG A 47 -30.297 -21.557 15.937 1.00 20.00 N ATOM 858 NH2 ARG A 47 -30.811 -19.324 15.868 1.00 20.00 N ATOM 0 H ARG A 47 -35.947 -25.885 14.243 1.00 20.00 H new ATOM 0 HA ARG A 47 -37.005 -23.271 14.614 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -34.965 -24.150 15.712 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -34.176 -24.302 14.155 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -34.392 -21.810 13.857 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -35.054 -21.710 15.477 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -32.976 -22.720 16.394 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -32.314 -22.836 14.776 1.00 20.00 H new ATOM 0 HE ARG A 47 -33.120 -20.117 15.398 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -30.582 -22.533 15.859 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -29.324 -21.324 16.134 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -31.493 -18.577 15.737 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -29.837 -19.096 16.066 1.00 20.00 H new ATOM 872 N ARG A 48 -35.624 -23.964 11.695 1.00 20.00 N ATOM 873 CA ARG A 48 -35.483 -23.507 10.314 1.00 20.00 C ATOM 874 C ARG A 48 -36.840 -23.252 9.681 1.00 20.00 C ATOM 875 O ARG A 48 -36.992 -22.332 8.886 1.00 20.00 O ATOM 876 CB ARG A 48 -34.738 -24.535 9.457 1.00 20.00 C ATOM 877 CG ARG A 48 -33.297 -24.791 9.868 1.00 20.00 C ATOM 878 CD ARG A 48 -32.640 -25.786 8.925 1.00 20.00 C ATOM 879 NE ARG A 48 -31.277 -26.123 9.329 1.00 20.00 N ATOM 880 CZ ARG A 48 -30.367 -26.640 8.505 1.00 20.00 C ATOM 881 NH1 ARG A 48 -30.661 -26.851 7.227 1.00 20.00 N ATOM 882 NH2 ARG A 48 -29.166 -26.954 8.964 1.00 20.00 N ATOM 0 H ARG A 48 -35.237 -24.891 11.869 1.00 20.00 H new ATOM 0 HA ARG A 48 -34.911 -22.580 10.350 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -35.283 -25.478 9.492 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -34.750 -24.198 8.420 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -32.740 -23.854 9.863 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -33.267 -25.174 10.888 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -33.240 -26.696 8.886 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -32.625 -25.371 7.917 1.00 20.00 H new ATOM 0 HE ARG A 48 -31.007 -25.953 10.298 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -31.588 -26.617 6.872 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -29.960 -27.247 6.601 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -28.939 -26.800 9.946 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -28.467 -27.350 8.335 1.00 20.00 H new ATOM 896 N MET A 49 -37.821 -24.069 10.046 1.00 20.00 N ATOM 897 CA MET A 49 -39.157 -23.982 9.464 1.00 20.00 C ATOM 898 C MET A 49 -39.767 -22.600 9.651 1.00 20.00 C ATOM 899 O MET A 49 -40.518 -22.129 8.797 1.00 20.00 O ATOM 900 CB MET A 49 -40.070 -25.047 10.064 1.00 20.00 C ATOM 901 CG MET A 49 -39.685 -26.457 9.654 1.00 20.00 C ATOM 902 SD MET A 49 -39.752 -26.706 7.868 1.00 20.00 S ATOM 903 CE MET A 49 -39.216 -28.411 7.749 1.00 20.00 C ATOM 0 H MET A 49 -37.716 -24.803 10.746 1.00 20.00 H new ATOM 0 HA MET A 49 -39.059 -24.158 8.393 1.00 20.00 H new ATOM 0 HB2 MET A 49 -40.043 -24.970 11.151 1.00 20.00 H new ATOM 0 HB3 MET A 49 -41.097 -24.853 9.756 1.00 20.00 H new ATOM 0 HG2 MET A 49 -38.677 -26.672 10.009 1.00 20.00 H new ATOM 0 HG3 MET A 49 -40.353 -27.168 10.141 1.00 20.00 H new ATOM 0 HE1 MET A 49 -39.651 -28.868 6.860 1.00 20.00 H new ATOM 0 HE2 MET A 49 -38.129 -28.447 7.680 1.00 20.00 H new ATOM 0 HE3 MET A 49 -39.542 -28.957 8.634 1.00 20.00 H new ATOM 913 N ALA A 50 -39.426 -21.946 10.754 1.00 20.00 N ATOM 914 CA ALA A 50 -39.908 -20.599 11.023 1.00 20.00 C ATOM 915 C ALA A 50 -39.344 -19.609 10.010 1.00 20.00 C ATOM 916 O ALA A 50 -40.055 -18.734 9.518 1.00 20.00 O ATOM 917 CB ALA A 50 -39.541 -20.183 12.435 1.00 20.00 C ATOM 0 H ALA A 50 -38.817 -22.328 11.477 1.00 20.00 H new ATOM 0 HA ALA A 50 -40.994 -20.597 10.929 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -39.907 -19.174 12.624 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -39.995 -20.873 13.147 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -38.457 -20.203 12.550 1.00 20.00 H new ATOM 923 N GLU A 51 -38.070 -19.767 9.686 1.00 20.00 N ATOM 924 CA GLU A 51 -37.414 -18.899 8.716 1.00 20.00 C ATOM 925 C GLU A 51 -37.744 -19.352 7.300 1.00 20.00 C ATOM 926 O GLU A 51 -37.660 -18.580 6.344 1.00 20.00 O ATOM 927 CB GLU A 51 -35.896 -18.916 8.908 1.00 20.00 C ATOM 928 CG GLU A 51 -35.434 -18.521 10.302 1.00 20.00 C ATOM 929 CD GLU A 51 -33.931 -18.357 10.380 1.00 20.00 C ATOM 930 OE1 GLU A 51 -33.203 -19.348 10.150 1.00 20.00 O ATOM 931 OE2 GLU A 51 -33.467 -17.231 10.661 1.00 20.00 O ATOM 0 H GLU A 51 -37.467 -20.489 10.081 1.00 20.00 H new ATOM 0 HA GLU A 51 -37.779 -17.884 8.872 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -35.525 -19.917 8.686 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -35.443 -18.240 8.183 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -35.915 -17.587 10.592 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -35.753 -19.279 11.017 1.00 20.00 H new ATOM 938 N ARG A 52 -38.132 -20.613 7.184 1.00 20.00 N ATOM 939 CA ARG A 52 -38.386 -21.235 5.896 1.00 20.00 C ATOM 940 C ARG A 52 -39.589 -20.600 5.209 1.00 20.00 C ATOM 941 O ARG A 52 -39.718 -20.661 3.989 1.00 20.00 O ATOM 942 CB ARG A 52 -38.601 -22.738 6.070 1.00 20.00 C ATOM 943 CG ARG A 52 -38.509 -23.526 4.774 1.00 20.00 C ATOM 944 CD ARG A 52 -38.714 -25.009 5.018 1.00 20.00 C ATOM 945 NE ARG A 52 -38.513 -25.798 3.805 1.00 20.00 N ATOM 946 CZ ARG A 52 -39.065 -26.992 3.597 1.00 20.00 C ATOM 947 NH1 ARG A 52 -39.866 -27.525 4.511 1.00 20.00 N ATOM 948 NH2 ARG A 52 -38.818 -27.653 2.474 1.00 20.00 N ATOM 0 H ARG A 52 -38.279 -21.233 7.981 1.00 20.00 H new ATOM 0 HA ARG A 52 -37.514 -21.075 5.262 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -37.860 -23.123 6.771 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -39.581 -22.906 6.517 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -39.259 -23.163 4.071 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -37.535 -23.362 4.314 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -38.023 -25.348 5.789 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -39.722 -25.178 5.397 1.00 20.00 H new ATOM 0 HE ARG A 52 -37.915 -25.412 3.075 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -40.060 -27.020 5.376 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -40.287 -28.440 4.349 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -38.204 -27.247 1.768 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -39.242 -28.567 2.317 1.00 20.00 H new ATOM 962 N PHE A 53 -40.461 -19.981 5.997 1.00 20.00 N ATOM 963 CA PHE A 53 -41.591 -19.242 5.450 1.00 20.00 C ATOM 964 C PHE A 53 -41.099 -18.112 4.553 1.00 20.00 C ATOM 965 O PHE A 53 -41.704 -17.809 3.525 1.00 20.00 O ATOM 966 CB PHE A 53 -42.465 -18.687 6.574 1.00 20.00 C ATOM 967 CG PHE A 53 -43.190 -19.752 7.350 1.00 20.00 C ATOM 968 CD1 PHE A 53 -44.148 -20.544 6.737 1.00 20.00 C ATOM 969 CD2 PHE A 53 -42.911 -19.963 8.691 1.00 20.00 C ATOM 970 CE1 PHE A 53 -44.813 -21.526 7.446 1.00 20.00 C ATOM 971 CE2 PHE A 53 -43.573 -20.943 9.405 1.00 20.00 C ATOM 972 CZ PHE A 53 -44.525 -21.725 8.781 1.00 20.00 C ATOM 0 H PHE A 53 -40.407 -19.977 7.016 1.00 20.00 H new ATOM 0 HA PHE A 53 -42.194 -19.926 4.852 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -41.842 -18.111 7.258 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -43.195 -17.997 6.150 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -44.377 -20.392 5.693 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -42.167 -19.354 9.184 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -45.557 -22.137 6.956 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -43.346 -21.097 10.450 1.00 20.00 H new ATOM 0 HZ PHE A 53 -45.044 -22.492 9.337 1.00 20.00 H new ATOM 982 N ALA A 54 -39.987 -17.504 4.940 1.00 20.00 N ATOM 983 CA ALA A 54 -39.358 -16.475 4.130 1.00 20.00 C ATOM 984 C ALA A 54 -38.452 -17.114 3.088 1.00 20.00 C ATOM 985 O ALA A 54 -38.299 -16.601 1.979 1.00 20.00 O ATOM 986 CB ALA A 54 -38.563 -15.525 5.008 1.00 20.00 C ATOM 0 H ALA A 54 -39.501 -17.708 5.814 1.00 20.00 H new ATOM 0 HA ALA A 54 -40.135 -15.906 3.619 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -38.097 -14.759 4.387 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -39.230 -15.052 5.729 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -37.790 -16.081 5.539 1.00 20.00 H new ATOM 992 N LYS A 55 -37.862 -18.248 3.457 1.00 20.00 N ATOM 993 CA LYS A 55 -36.989 -18.998 2.562 1.00 20.00 C ATOM 994 C LYS A 55 -37.725 -19.371 1.281 1.00 20.00 C ATOM 995 O LYS A 55 -37.154 -19.337 0.201 1.00 20.00 O ATOM 996 CB LYS A 55 -36.481 -20.268 3.248 1.00 20.00 C ATOM 997 CG LYS A 55 -35.407 -21.011 2.462 1.00 20.00 C ATOM 998 CD LYS A 55 -34.063 -20.307 2.533 1.00 20.00 C ATOM 999 CE LYS A 55 -33.460 -20.406 3.926 1.00 20.00 C ATOM 1000 NZ LYS A 55 -32.158 -19.701 4.022 1.00 20.00 N ATOM 0 H LYS A 55 -37.975 -18.670 4.379 1.00 20.00 H new ATOM 0 HA LYS A 55 -36.139 -18.363 2.311 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -36.083 -20.005 4.228 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -37.323 -20.939 3.416 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -35.307 -22.024 2.852 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -35.716 -21.100 1.420 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -33.380 -20.748 1.807 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -34.184 -19.259 2.261 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -34.155 -19.984 4.652 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -33.324 -21.455 4.188 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -31.783 -19.794 4.988 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -31.486 -20.120 3.348 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -32.291 -18.694 3.798 1.00 20.00 H new ATOM 1014 N MET A 56 -39.005 -19.707 1.413 1.00 20.00 N ATOM 1015 CA MET A 56 -39.824 -20.096 0.265 1.00 20.00 C ATOM 1016 C MET A 56 -39.860 -18.997 -0.791 1.00 20.00 C ATOM 1017 O MET A 56 -39.987 -19.271 -1.982 1.00 20.00 O ATOM 1018 CB MET A 56 -41.256 -20.418 0.705 1.00 20.00 C ATOM 1019 CG MET A 56 -41.380 -21.662 1.569 1.00 20.00 C ATOM 1020 SD MET A 56 -40.832 -23.158 0.726 1.00 20.00 S ATOM 1021 CE MET A 56 -41.219 -24.393 1.961 1.00 20.00 C ATOM 0 H MET A 56 -39.500 -19.718 2.305 1.00 20.00 H new ATOM 0 HA MET A 56 -39.368 -20.986 -0.169 1.00 20.00 H new ATOM 0 HB2 MET A 56 -41.655 -19.566 1.256 1.00 20.00 H new ATOM 0 HB3 MET A 56 -41.877 -20.543 -0.182 1.00 20.00 H new ATOM 0 HG2 MET A 56 -40.793 -21.527 2.478 1.00 20.00 H new ATOM 0 HG3 MET A 56 -42.419 -21.783 1.876 1.00 20.00 H new ATOM 0 HE1 MET A 56 -40.507 -25.215 1.889 1.00 20.00 H new ATOM 0 HE2 MET A 56 -41.158 -23.947 2.954 1.00 20.00 H new ATOM 0 HE3 MET A 56 -42.228 -24.771 1.794 1.00 20.00 H new ATOM 1031 N ARG A 57 -39.727 -17.755 -0.351 1.00 20.00 N ATOM 1032 CA ARG A 57 -39.870 -16.618 -1.245 1.00 20.00 C ATOM 1033 C ARG A 57 -38.576 -16.336 -2.011 1.00 20.00 C ATOM 1034 O ARG A 57 -38.600 -15.715 -3.075 1.00 20.00 O ATOM 1035 CB ARG A 57 -40.309 -15.378 -0.459 1.00 20.00 C ATOM 1036 CG ARG A 57 -40.601 -14.170 -1.335 1.00 20.00 C ATOM 1037 CD ARG A 57 -41.682 -14.471 -2.362 1.00 20.00 C ATOM 1038 NE ARG A 57 -41.850 -13.379 -3.314 1.00 20.00 N ATOM 1039 CZ ARG A 57 -42.258 -13.545 -4.571 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -42.543 -14.760 -5.026 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -42.372 -12.495 -5.375 1.00 20.00 N ATOM 0 H ARG A 57 -39.521 -17.510 0.617 1.00 20.00 H new ATOM 0 HA ARG A 57 -40.638 -16.865 -1.978 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -41.201 -15.622 0.118 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -39.529 -15.117 0.256 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -40.915 -13.334 -0.710 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -39.689 -13.861 -1.846 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -41.427 -15.385 -2.899 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -42.627 -14.655 -1.851 1.00 20.00 H new ATOM 0 HE ARG A 57 -41.643 -12.431 -2.998 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -42.450 -15.569 -4.412 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -42.855 -14.884 -5.989 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -42.147 -11.562 -5.030 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -42.684 -12.621 -6.338 1.00 20.00 H new ATOM 1055 N LYS A 58 -37.451 -16.793 -1.478 1.00 20.00 N ATOM 1056 CA LYS A 58 -36.169 -16.581 -2.134 1.00 20.00 C ATOM 1057 C LYS A 58 -35.136 -17.590 -1.639 1.00 20.00 C ATOM 1058 O LYS A 58 -34.111 -17.228 -1.057 1.00 20.00 O ATOM 1059 CB LYS A 58 -35.676 -15.149 -1.904 1.00 20.00 C ATOM 1060 CG LYS A 58 -34.523 -14.742 -2.813 1.00 20.00 C ATOM 1061 CD LYS A 58 -34.111 -13.298 -2.576 1.00 20.00 C ATOM 1062 CE LYS A 58 -32.983 -12.871 -3.505 1.00 20.00 C ATOM 1063 NZ LYS A 58 -32.586 -11.456 -3.278 1.00 20.00 N ATOM 0 H LYS A 58 -37.400 -17.309 -0.600 1.00 20.00 H new ATOM 0 HA LYS A 58 -36.305 -16.729 -3.205 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -36.507 -14.460 -2.056 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -35.362 -15.045 -0.865 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -33.671 -15.398 -2.638 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -34.816 -14.872 -3.855 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -34.971 -12.646 -2.725 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -33.794 -13.176 -1.540 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -32.121 -13.520 -3.351 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -33.297 -12.999 -4.541 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -31.612 -11.311 -3.613 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -33.229 -10.827 -3.800 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -32.638 -11.239 -2.262 1.00 20.00 H new ATOM 1077 N GLU A 59 -35.422 -18.864 -1.857 1.00 20.00 N ATOM 1078 CA GLU A 59 -34.480 -19.924 -1.521 1.00 20.00 C ATOM 1079 C GLU A 59 -33.445 -20.039 -2.625 1.00 20.00 C ATOM 1080 O GLU A 59 -32.336 -20.529 -2.420 1.00 20.00 O ATOM 1081 CB GLU A 59 -35.201 -21.264 -1.335 1.00 20.00 C ATOM 1082 CG GLU A 59 -35.940 -21.743 -2.574 1.00 20.00 C ATOM 1083 CD GLU A 59 -36.601 -23.087 -2.373 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -37.727 -23.126 -1.835 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -36.005 -24.110 -2.762 1.00 20.00 O ATOM 0 H GLU A 59 -36.298 -19.191 -2.265 1.00 20.00 H new ATOM 0 HA GLU A 59 -33.991 -19.674 -0.580 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -34.472 -22.020 -1.044 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -35.911 -21.172 -0.513 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -36.696 -21.008 -2.848 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -35.241 -21.807 -3.408 1.00 20.00 H new ATOM 1092 N ARG A 60 -33.827 -19.545 -3.787 1.00 20.00 N ATOM 1093 CA ARG A 60 -33.001 -19.608 -4.971 1.00 20.00 C ATOM 1094 C ARG A 60 -33.164 -18.320 -5.765 1.00 20.00 C ATOM 1095 O ARG A 60 -34.153 -17.604 -5.600 1.00 20.00 O ATOM 1096 CB ARG A 60 -33.416 -20.814 -5.813 1.00 20.00 C ATOM 1097 CG ARG A 60 -34.835 -20.721 -6.349 1.00 20.00 C ATOM 1098 CD ARG A 60 -35.291 -22.034 -6.960 1.00 20.00 C ATOM 1099 NE ARG A 60 -35.465 -23.082 -5.953 1.00 20.00 N ATOM 1100 CZ ARG A 60 -36.045 -24.254 -6.197 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -36.486 -24.538 -7.415 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -36.190 -25.139 -5.219 1.00 20.00 N ATOM 0 H ARG A 60 -34.726 -19.086 -3.934 1.00 20.00 H new ATOM 0 HA ARG A 60 -31.953 -19.719 -4.692 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -32.726 -20.917 -6.650 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -33.322 -21.717 -5.210 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -35.511 -20.441 -5.542 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -34.890 -19.932 -7.099 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -36.232 -21.880 -7.488 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -34.561 -22.361 -7.700 1.00 20.00 H new ATOM 0 HE ARG A 60 -35.122 -22.903 -5.009 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -36.381 -23.857 -8.167 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -36.930 -25.437 -7.600 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -35.857 -24.921 -4.280 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -36.635 -26.038 -5.406 1.00 20.00 H new ATOM 1116 N SER A 61 -32.191 -18.018 -6.606 1.00 20.00 N ATOM 1117 CA SER A 61 -32.225 -16.802 -7.398 1.00 20.00 C ATOM 1118 C SER A 61 -32.857 -17.048 -8.763 1.00 20.00 C ATOM 1119 O SER A 61 -33.259 -16.104 -9.445 1.00 20.00 O ATOM 1120 CB SER A 61 -30.814 -16.235 -7.550 1.00 20.00 C ATOM 1121 OG SER A 61 -30.282 -15.869 -6.288 1.00 20.00 O ATOM 0 H SER A 61 -31.367 -18.599 -6.758 1.00 20.00 H new ATOM 0 HA SER A 61 -32.843 -16.072 -6.876 1.00 20.00 H new ATOM 0 HB2 SER A 61 -30.168 -16.976 -8.021 1.00 20.00 H new ATOM 0 HB3 SER A 61 -30.835 -15.366 -8.207 1.00 20.00 H new ATOM 0 HG SER A 61 -29.378 -15.510 -6.406 1.00 20.00 H new ATOM 1127 N LYS A 62 -32.955 -18.319 -9.150 1.00 20.00 N ATOM 1128 CA LYS A 62 -33.582 -18.696 -10.416 1.00 20.00 C ATOM 1129 C LYS A 62 -33.586 -20.211 -10.582 1.00 20.00 C ATOM 1130 O LYS A 62 -34.547 -20.790 -11.088 1.00 20.00 O ATOM 1131 CB LYS A 62 -32.857 -18.037 -11.598 1.00 20.00 C ATOM 1132 CG LYS A 62 -33.512 -18.286 -12.949 1.00 20.00 C ATOM 1133 CD LYS A 62 -34.948 -17.769 -13.016 1.00 20.00 C ATOM 1134 CE LYS A 62 -35.049 -16.259 -12.800 1.00 20.00 C ATOM 1135 NZ LYS A 62 -35.194 -15.893 -11.362 1.00 20.00 N ATOM 0 H LYS A 62 -32.607 -19.107 -8.603 1.00 20.00 H new ATOM 0 HA LYS A 62 -34.613 -18.344 -10.401 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -32.805 -16.962 -11.424 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -31.831 -18.404 -11.631 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -32.921 -17.805 -13.728 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -33.506 -19.356 -13.159 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -35.374 -18.021 -13.987 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -35.548 -18.279 -12.262 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -34.159 -15.778 -13.205 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -35.902 -15.872 -13.357 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -35.637 -14.955 -11.285 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -35.790 -16.598 -10.883 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -34.256 -15.871 -10.913 1.00 20.00 H new ATOM 1149 N GLN A 63 -32.510 -20.849 -10.147 1.00 20.00 N ATOM 1150 CA GLN A 63 -32.371 -22.291 -10.270 1.00 20.00 C ATOM 1151 C GLN A 63 -31.610 -22.862 -9.078 1.00 20.00 C ATOM 1152 O GLN A 63 -30.579 -23.528 -9.279 1.00 20.00 O ATOM 1153 CB GLN A 63 -31.674 -22.649 -11.593 1.00 20.00 C ATOM 1154 CG GLN A 63 -30.663 -21.611 -12.084 1.00 20.00 C ATOM 1155 CD GLN A 63 -29.464 -21.443 -11.168 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -29.474 -20.614 -10.256 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -28.421 -22.218 -11.407 1.00 20.00 N ATOM 1158 OXT GLN A 63 -32.034 -22.609 -7.933 1.00 20.00 O ATOM 0 H GLN A 63 -31.716 -20.387 -9.703 1.00 20.00 H new ATOM 0 HA GLN A 63 -33.365 -22.737 -10.277 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -31.164 -23.605 -11.472 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -32.434 -22.788 -12.362 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -30.314 -21.899 -13.076 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -31.166 -20.650 -12.190 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -28.451 -22.892 -12.172 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -27.586 -22.142 -10.827 1.00 20.00 H new TER 1167 GLN A 63