USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 623 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 11 LYS NZ :NH3+ -177:sc= 1.15 (180deg=1.13) USER MOD Set 1.2: A 46 TYR OH : rot 44:sc= 1.23 USER MOD Set 2.1: A 23 LYS NZ :NH3+ -108:sc= 0.764 (180deg=-0.139) USER MOD Set 2.2: A 25 TYR OH : rot -130:sc= 0.494 USER MOD Set 3.1: A 22 GLN : amide:sc= 0 K(o=0,f=0.57) USER MOD Set 3.2: A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 1 GLU N :NH3+ -170:sc=-0.00918 (180deg=-0.127) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 10 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= -0.0855 (180deg=-0.0857) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.018) USER MOD Single : A 21 THR OG1 : rot -69:sc= 2.08 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 1 (180deg=0.801) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -104:sc= 0.0897 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= 0.139 K(o=0.14,f=-0.61) USER MOD Single : A 45 TYR OH : rot -90:sc= 0.0307 USER MOD Single : A 49 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.058) USER MOD Single : A 52 TYR OH : rot 59:sc= 1.26 USER MOD Single : A 57 LYS NZ :NH3+ -122:sc= 1.23 (180deg=0.315) USER MOD Single : A 67 LYS NZ :NH3+ -172:sc= 0.29 (180deg=0.232) USER MOD Single : A 71 HIS : no HE2:sc= -1.78! X(o=-1.8!,f=-2.3) USER MOD Single : A 72 HIS : no HD1:sc= -0.0446 X(o=-0.045,f=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.0531 X(o=0.053,f=-0.31) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HE2:sc= 0.0229 K(o=0.023,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 13.314 -14.559 -15.920 1.00 0.00 N ATOM 2 CA GLU A 1 13.666 -13.304 -15.239 1.00 0.00 C ATOM 3 C GLU A 1 13.622 -12.160 -16.243 1.00 0.00 C ATOM 4 O GLU A 1 14.550 -11.980 -17.029 1.00 0.00 O ATOM 5 CB GLU A 1 15.071 -13.398 -14.617 1.00 0.00 C ATOM 6 CG GLU A 1 15.224 -14.474 -13.550 1.00 0.00 C ATOM 7 CD GLU A 1 16.634 -14.554 -13.007 1.00 0.00 C ATOM 8 OE1 GLU A 1 16.977 -13.799 -12.078 1.00 0.00 O ATOM 9 OE2 GLU A 1 17.440 -15.370 -13.522 1.00 0.00 O ATOM 0 H1 GLU A 1 13.177 -15.310 -15.214 1.00 0.00 H new ATOM 0 H2 GLU A 1 12.435 -14.426 -16.460 1.00 0.00 H new ATOM 0 H3 GLU A 1 14.081 -14.829 -16.568 1.00 0.00 H new ATOM 0 HA GLU A 1 12.948 -13.122 -14.439 1.00 0.00 H new ATOM 0 HB2 GLU A 1 15.793 -13.588 -15.411 1.00 0.00 H new ATOM 0 HB3 GLU A 1 15.325 -12.433 -14.179 1.00 0.00 H new ATOM 0 HG2 GLU A 1 14.534 -14.270 -12.731 1.00 0.00 H new ATOM 0 HG3 GLU A 1 14.944 -15.440 -13.970 1.00 0.00 H new ATOM 18 N ASP A 2 12.543 -11.409 -16.238 1.00 0.00 N ATOM 19 CA ASP A 2 12.374 -10.325 -17.207 1.00 0.00 C ATOM 20 C ASP A 2 11.610 -9.165 -16.603 1.00 0.00 C ATOM 21 O ASP A 2 11.876 -8.008 -16.919 1.00 0.00 O ATOM 22 CB ASP A 2 11.656 -10.817 -18.490 1.00 0.00 C ATOM 23 CG ASP A 2 10.169 -11.119 -18.313 1.00 0.00 C ATOM 24 OD1 ASP A 2 9.786 -11.896 -17.403 1.00 0.00 O ATOM 25 OD2 ASP A 2 9.350 -10.584 -19.074 1.00 0.00 O ATOM 0 H ASP A 2 11.769 -11.520 -15.583 1.00 0.00 H new ATOM 0 HA ASP A 2 13.372 -9.983 -17.480 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.769 -10.060 -19.266 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.156 -11.717 -18.847 1.00 0.00 H new ATOM 30 N MET A 3 10.671 -9.469 -15.734 1.00 0.00 N ATOM 31 CA MET A 3 9.855 -8.455 -15.113 1.00 0.00 C ATOM 32 C MET A 3 10.512 -7.930 -13.859 1.00 0.00 C ATOM 33 O MET A 3 10.504 -8.587 -12.816 1.00 0.00 O ATOM 34 CB MET A 3 8.447 -8.987 -14.805 1.00 0.00 C ATOM 35 CG MET A 3 7.542 -7.977 -14.104 1.00 0.00 C ATOM 36 SD MET A 3 7.337 -6.449 -15.045 1.00 0.00 S ATOM 37 CE MET A 3 6.284 -5.522 -13.927 1.00 0.00 C ATOM 0 H MET A 3 10.454 -10.422 -15.441 1.00 0.00 H new ATOM 0 HA MET A 3 9.756 -7.630 -15.819 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.975 -9.297 -15.737 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.534 -9.876 -14.181 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.564 -8.428 -13.935 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.958 -7.742 -13.124 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.062 -4.547 -14.361 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.354 -6.068 -13.766 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.795 -5.387 -12.974 1.00 0.00 H new ATOM 47 N GLU A 4 11.112 -6.787 -13.979 1.00 0.00 N ATOM 48 CA GLU A 4 11.721 -6.127 -12.868 1.00 0.00 C ATOM 49 C GLU A 4 10.627 -5.430 -12.059 1.00 0.00 C ATOM 50 O GLU A 4 9.653 -4.929 -12.642 1.00 0.00 O ATOM 51 CB GLU A 4 12.747 -5.113 -13.366 1.00 0.00 C ATOM 52 CG GLU A 4 13.900 -5.735 -14.139 1.00 0.00 C ATOM 53 CD GLU A 4 14.858 -4.701 -14.658 1.00 0.00 C ATOM 54 OE1 GLU A 4 15.561 -4.069 -13.841 1.00 0.00 O ATOM 55 OE2 GLU A 4 14.917 -4.494 -15.882 1.00 0.00 O ATOM 0 H GLU A 4 11.193 -6.281 -14.861 1.00 0.00 H new ATOM 0 HA GLU A 4 12.237 -6.850 -12.236 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.245 -4.385 -14.004 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.147 -4.566 -12.512 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.435 -6.431 -13.493 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.505 -6.314 -14.974 1.00 0.00 H new ATOM 62 N PRO A 5 10.722 -5.426 -10.728 1.00 0.00 N ATOM 63 CA PRO A 5 9.735 -4.766 -9.880 1.00 0.00 C ATOM 64 C PRO A 5 9.662 -3.259 -10.157 1.00 0.00 C ATOM 65 O PRO A 5 10.637 -2.529 -9.972 1.00 0.00 O ATOM 66 CB PRO A 5 10.243 -5.023 -8.454 1.00 0.00 C ATOM 67 CG PRO A 5 11.143 -6.199 -8.579 1.00 0.00 C ATOM 68 CD PRO A 5 11.777 -6.083 -9.930 1.00 0.00 C ATOM 0 HA PRO A 5 8.729 -5.146 -10.055 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.776 -4.157 -8.062 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.418 -5.226 -7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.897 -6.200 -7.792 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.585 -7.131 -8.487 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.690 -5.489 -9.899 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.045 -7.058 -10.337 1.00 0.00 H new ATOM 76 N CYS A 6 8.543 -2.817 -10.662 1.00 0.00 N ATOM 77 CA CYS A 6 8.312 -1.414 -10.895 1.00 0.00 C ATOM 78 C CYS A 6 7.234 -0.987 -9.935 1.00 0.00 C ATOM 79 O CYS A 6 6.049 -1.212 -10.197 1.00 0.00 O ATOM 80 CB CYS A 6 7.870 -1.171 -12.344 1.00 0.00 C ATOM 81 SG CYS A 6 7.668 0.567 -12.797 1.00 0.00 S ATOM 0 H CYS A 6 7.763 -3.419 -10.925 1.00 0.00 H new ATOM 0 HA CYS A 6 9.225 -0.839 -10.738 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.603 -1.623 -13.013 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.925 -1.687 -12.512 1.00 0.00 H new ATOM 0 HG CYS A 6 7.296 0.651 -14.040 1.00 0.00 H new ATOM 87 N LEU A 7 7.655 -0.457 -8.777 1.00 0.00 N ATOM 88 CA LEU A 7 6.770 -0.072 -7.647 1.00 0.00 C ATOM 89 C LEU A 7 6.231 -1.317 -6.923 1.00 0.00 C ATOM 90 O LEU A 7 6.285 -1.410 -5.687 1.00 0.00 O ATOM 91 CB LEU A 7 5.605 0.885 -8.039 1.00 0.00 C ATOM 92 CG LEU A 7 5.950 2.341 -8.433 1.00 0.00 C ATOM 93 CD1 LEU A 7 6.719 2.422 -9.743 1.00 0.00 C ATOM 94 CD2 LEU A 7 4.682 3.172 -8.508 1.00 0.00 C ATOM 0 H LEU A 7 8.641 -0.277 -8.587 1.00 0.00 H new ATOM 0 HA LEU A 7 7.402 0.499 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.071 0.433 -8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.910 0.924 -7.200 1.00 0.00 H new ATOM 0 HG LEU A 7 6.603 2.743 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.936 3.465 -9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.654 1.869 -9.651 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.119 1.991 -10.544 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.934 4.196 -8.786 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.012 2.747 -9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.188 3.171 -7.536 1.00 0.00 H new ATOM 106 N THR A 8 5.736 -2.253 -7.704 1.00 0.00 N ATOM 107 CA THR A 8 5.234 -3.527 -7.258 1.00 0.00 C ATOM 108 C THR A 8 6.288 -4.254 -6.402 1.00 0.00 C ATOM 109 O THR A 8 7.486 -4.244 -6.725 1.00 0.00 O ATOM 110 CB THR A 8 4.900 -4.368 -8.500 1.00 0.00 C ATOM 111 OG1 THR A 8 4.068 -3.584 -9.371 1.00 0.00 O ATOM 112 CG2 THR A 8 4.175 -5.654 -8.133 1.00 0.00 C ATOM 0 H THR A 8 5.671 -2.137 -8.715 1.00 0.00 H new ATOM 0 HA THR A 8 4.345 -3.380 -6.645 1.00 0.00 H new ATOM 0 HB THR A 8 5.832 -4.643 -8.993 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.847 -4.107 -10.170 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.957 -6.220 -9.039 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.805 -6.252 -7.475 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.243 -5.413 -7.622 1.00 0.00 H new ATOM 120 N GLY A 9 5.858 -4.817 -5.301 1.00 0.00 N ATOM 121 CA GLY A 9 6.769 -5.523 -4.438 1.00 0.00 C ATOM 122 C GLY A 9 7.124 -4.731 -3.208 1.00 0.00 C ATOM 123 O GLY A 9 7.527 -5.296 -2.192 1.00 0.00 O ATOM 0 H GLY A 9 4.889 -4.800 -4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.322 -6.471 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.679 -5.759 -4.990 1.00 0.00 H new ATOM 127 N THR A 10 6.997 -3.431 -3.293 1.00 0.00 N ATOM 128 CA THR A 10 7.279 -2.567 -2.176 1.00 0.00 C ATOM 129 C THR A 10 6.145 -2.693 -1.166 1.00 0.00 C ATOM 130 O THR A 10 4.958 -2.629 -1.550 1.00 0.00 O ATOM 131 CB THR A 10 7.341 -1.099 -2.645 1.00 0.00 C ATOM 132 OG1 THR A 10 8.189 -0.992 -3.800 1.00 0.00 O ATOM 133 CG2 THR A 10 7.873 -0.185 -1.548 1.00 0.00 C ATOM 0 H THR A 10 6.696 -2.943 -4.137 1.00 0.00 H new ATOM 0 HA THR A 10 8.233 -2.852 -1.734 1.00 0.00 H new ATOM 0 HB THR A 10 6.327 -0.786 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.643 -1.042 -4.612 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.903 0.842 -1.913 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.219 -0.242 -0.678 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.878 -0.500 -1.267 1.00 0.00 H new ATOM 141 N LYS A 11 6.473 -2.909 0.088 1.00 0.00 N ATOM 142 CA LYS A 11 5.453 -2.915 1.079 1.00 0.00 C ATOM 143 C LYS A 11 5.274 -1.492 1.529 1.00 0.00 C ATOM 144 O LYS A 11 6.259 -0.747 1.675 1.00 0.00 O ATOM 145 CB LYS A 11 5.708 -3.850 2.299 1.00 0.00 C ATOM 146 CG LYS A 11 6.671 -3.327 3.358 1.00 0.00 C ATOM 147 CD LYS A 11 6.412 -4.019 4.690 1.00 0.00 C ATOM 148 CE LYS A 11 7.207 -3.394 5.821 1.00 0.00 C ATOM 149 NZ LYS A 11 6.843 -3.967 7.139 1.00 0.00 N ATOM 0 H LYS A 11 7.420 -3.078 0.428 1.00 0.00 H new ATOM 0 HA LYS A 11 4.553 -3.329 0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.751 -4.057 2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.090 -4.801 1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.700 -3.502 3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.550 -2.249 3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.349 -3.968 4.924 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.670 -5.075 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.272 -3.544 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.035 -2.318 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.372 -3.477 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.823 -3.847 7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.079 -4.980 7.154 1.00 0.00 H new ATOM 163 N VAL A 12 4.065 -1.094 1.671 1.00 0.00 N ATOM 164 CA VAL A 12 3.754 0.239 2.075 1.00 0.00 C ATOM 165 C VAL A 12 2.831 0.206 3.252 1.00 0.00 C ATOM 166 O VAL A 12 2.367 -0.867 3.671 1.00 0.00 O ATOM 167 CB VAL A 12 3.104 1.066 0.934 1.00 0.00 C ATOM 168 CG1 VAL A 12 4.083 1.268 -0.207 1.00 0.00 C ATOM 169 CG2 VAL A 12 1.829 0.390 0.433 1.00 0.00 C ATOM 0 H VAL A 12 3.250 -1.685 1.510 1.00 0.00 H new ATOM 0 HA VAL A 12 4.693 0.725 2.341 1.00 0.00 H new ATOM 0 HB VAL A 12 2.837 2.044 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.607 1.850 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.961 1.801 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.385 0.299 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.391 0.987 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.069 -0.603 0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.117 0.303 1.253 1.00 0.00 H new ATOM 179 N LYS A 13 2.569 1.336 3.777 1.00 0.00 N ATOM 180 CA LYS A 13 1.690 1.480 4.877 1.00 0.00 C ATOM 181 C LYS A 13 0.442 2.130 4.344 1.00 0.00 C ATOM 182 O LYS A 13 0.528 3.045 3.553 1.00 0.00 O ATOM 183 CB LYS A 13 2.363 2.366 5.898 1.00 0.00 C ATOM 184 CG LYS A 13 2.552 1.755 7.261 1.00 0.00 C ATOM 185 CD LYS A 13 1.259 1.627 8.012 1.00 0.00 C ATOM 186 CE LYS A 13 1.517 1.242 9.453 1.00 0.00 C ATOM 187 NZ LYS A 13 2.152 -0.087 9.589 1.00 0.00 N ATOM 0 H LYS A 13 2.969 2.215 3.448 1.00 0.00 H new ATOM 0 HA LYS A 13 1.444 0.529 5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.339 2.659 5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.776 3.278 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.007 0.770 7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.246 2.367 7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.715 2.571 7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.628 0.876 7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.157 1.994 9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.574 1.246 9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.289 -0.305 10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.540 -0.810 9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.074 -0.082 9.107 1.00 0.00 H new ATOM 201 N VAL A 14 -0.689 1.651 4.730 1.00 0.00 N ATOM 202 CA VAL A 14 -1.941 2.157 4.209 1.00 0.00 C ATOM 203 C VAL A 14 -2.835 2.599 5.352 1.00 0.00 C ATOM 204 O VAL A 14 -2.786 2.029 6.420 1.00 0.00 O ATOM 205 CB VAL A 14 -2.654 1.072 3.329 1.00 0.00 C ATOM 206 CG1 VAL A 14 -4.044 1.501 2.897 1.00 0.00 C ATOM 207 CG2 VAL A 14 -1.819 0.758 2.096 1.00 0.00 C ATOM 0 H VAL A 14 -0.788 0.900 5.413 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.735 3.019 3.574 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.755 0.181 3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.495 0.716 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.660 1.678 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.976 2.418 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.327 0.003 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.688 1.664 1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.844 0.381 2.403 1.00 0.00 H new ATOM 217 N LYS A 15 -3.585 3.636 5.136 1.00 0.00 N ATOM 218 CA LYS A 15 -4.522 4.133 6.099 1.00 0.00 C ATOM 219 C LYS A 15 -5.764 4.551 5.328 1.00 0.00 C ATOM 220 O LYS A 15 -5.767 5.571 4.682 1.00 0.00 O ATOM 221 CB LYS A 15 -3.880 5.310 6.822 1.00 0.00 C ATOM 222 CG LYS A 15 -4.635 5.856 8.008 1.00 0.00 C ATOM 223 CD LYS A 15 -3.775 6.880 8.708 1.00 0.00 C ATOM 224 CE LYS A 15 -4.413 7.447 9.951 1.00 0.00 C ATOM 225 NZ LYS A 15 -3.512 8.421 10.608 1.00 0.00 N ATOM 0 H LYS A 15 -3.563 4.172 4.268 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.797 3.389 6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.888 5.006 7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.740 6.118 6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.571 6.310 7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.894 5.049 8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.822 6.423 8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.556 7.694 8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.354 7.932 9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.650 6.640 10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.972 8.798 11.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.624 7.949 10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.306 9.201 9.952 1.00 0.00 H new ATOM 239 N TYR A 16 -6.802 3.759 5.400 1.00 0.00 N ATOM 240 CA TYR A 16 -7.957 3.925 4.550 1.00 0.00 C ATOM 241 C TYR A 16 -9.256 3.865 5.362 1.00 0.00 C ATOM 242 O TYR A 16 -9.540 2.860 6.027 1.00 0.00 O ATOM 243 CB TYR A 16 -7.938 2.811 3.476 1.00 0.00 C ATOM 244 CG TYR A 16 -9.044 2.891 2.444 1.00 0.00 C ATOM 245 CD1 TYR A 16 -10.288 2.332 2.685 1.00 0.00 C ATOM 246 CD2 TYR A 16 -8.838 3.528 1.228 1.00 0.00 C ATOM 247 CE1 TYR A 16 -11.298 2.407 1.750 1.00 0.00 C ATOM 248 CE2 TYR A 16 -9.847 3.610 0.282 1.00 0.00 C ATOM 249 CZ TYR A 16 -11.075 3.048 0.554 1.00 0.00 C ATOM 250 OH TYR A 16 -12.099 3.137 -0.379 1.00 0.00 O ATOM 0 H TYR A 16 -6.872 2.977 6.051 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.918 4.905 4.074 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.978 2.842 2.960 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.999 1.845 3.977 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.470 1.828 3.623 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.875 3.967 1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.261 1.964 1.956 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.672 4.110 -0.659 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.780 3.621 -1.169 1.00 0.00 H new ATOM 260 N GLY A 17 -9.935 4.986 5.431 1.00 0.00 N ATOM 261 CA GLY A 17 -11.268 5.043 5.972 1.00 0.00 C ATOM 262 C GLY A 17 -11.749 6.461 5.989 1.00 0.00 C ATOM 263 O GLY A 17 -10.958 7.372 5.734 1.00 0.00 O ATOM 0 H GLY A 17 -9.575 5.886 5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.940 4.429 5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.278 4.634 6.982 1.00 0.00 H new ATOM 267 N ARG A 18 -12.999 6.662 6.283 1.00 0.00 N ATOM 268 CA ARG A 18 -13.549 7.995 6.422 1.00 0.00 C ATOM 269 C ARG A 18 -13.808 8.282 7.904 1.00 0.00 C ATOM 270 O ARG A 18 -14.505 7.502 8.578 1.00 0.00 O ATOM 271 CB ARG A 18 -14.850 8.167 5.597 1.00 0.00 C ATOM 272 CG ARG A 18 -16.003 7.226 5.975 1.00 0.00 C ATOM 273 CD ARG A 18 -17.247 7.530 5.164 1.00 0.00 C ATOM 274 NE ARG A 18 -17.683 8.926 5.330 1.00 0.00 N ATOM 275 CZ ARG A 18 -18.626 9.530 4.592 1.00 0.00 C ATOM 276 NH1 ARG A 18 -19.355 8.832 3.736 1.00 0.00 N ATOM 277 NH2 ARG A 18 -18.859 10.828 4.738 1.00 0.00 N ATOM 0 H ARG A 18 -13.674 5.912 6.435 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.825 8.711 6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.194 9.196 5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.614 8.018 4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.701 6.192 5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.225 7.327 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.050 7.334 4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -18.051 6.860 5.468 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.234 9.476 6.062 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -19.201 7.829 3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -20.071 9.297 3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -18.320 11.370 5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.577 11.284 4.175 1.00 0.00 H new ATOM 291 N GLY A 19 -13.220 9.347 8.414 1.00 0.00 N ATOM 292 CA GLY A 19 -13.407 9.737 9.801 1.00 0.00 C ATOM 293 C GLY A 19 -12.998 8.659 10.783 1.00 0.00 C ATOM 294 O GLY A 19 -11.811 8.350 10.930 1.00 0.00 O ATOM 0 H GLY A 19 -12.603 9.963 7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.828 10.639 9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.455 9.989 9.963 1.00 0.00 H new ATOM 298 N LYS A 20 -13.987 8.045 11.404 1.00 0.00 N ATOM 299 CA LYS A 20 -13.766 7.024 12.419 1.00 0.00 C ATOM 300 C LYS A 20 -13.324 5.722 11.781 1.00 0.00 C ATOM 301 O LYS A 20 -12.612 4.923 12.396 1.00 0.00 O ATOM 302 CB LYS A 20 -15.051 6.755 13.204 1.00 0.00 C ATOM 303 CG LYS A 20 -15.650 7.955 13.910 1.00 0.00 C ATOM 304 CD LYS A 20 -16.923 7.550 14.637 1.00 0.00 C ATOM 305 CE LYS A 20 -17.586 8.724 15.339 1.00 0.00 C ATOM 306 NZ LYS A 20 -16.777 9.257 16.455 1.00 0.00 N ATOM 0 H LYS A 20 -14.971 8.239 11.220 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.990 7.394 13.089 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.796 6.350 12.519 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.847 5.983 13.946 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.932 8.366 14.619 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.869 8.741 13.187 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.623 7.114 13.924 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.690 6.777 15.369 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.766 9.519 14.615 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.559 8.412 15.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.300 10.021 16.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.583 8.496 17.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.879 9.629 16.086 1.00 0.00 H new ATOM 320 N THR A 21 -13.704 5.524 10.539 1.00 0.00 N ATOM 321 CA THR A 21 -13.464 4.262 9.868 1.00 0.00 C ATOM 322 C THR A 21 -12.068 4.201 9.242 1.00 0.00 C ATOM 323 O THR A 21 -11.768 3.283 8.505 1.00 0.00 O ATOM 324 CB THR A 21 -14.549 3.978 8.782 1.00 0.00 C ATOM 325 OG1 THR A 21 -14.529 4.991 7.782 1.00 0.00 O ATOM 326 CG2 THR A 21 -15.935 3.942 9.395 1.00 0.00 C ATOM 0 H THR A 21 -14.182 6.222 9.970 1.00 0.00 H new ATOM 0 HA THR A 21 -13.525 3.488 10.633 1.00 0.00 H new ATOM 0 HB THR A 21 -14.320 3.009 8.339 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.854 5.833 8.163 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.672 3.743 8.617 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.980 3.155 10.148 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.151 4.903 9.862 1.00 0.00 H new ATOM 334 N GLN A 22 -11.215 5.166 9.557 1.00 0.00 N ATOM 335 CA GLN A 22 -9.887 5.203 8.983 1.00 0.00 C ATOM 336 C GLN A 22 -8.948 4.294 9.751 1.00 0.00 C ATOM 337 O GLN A 22 -8.461 4.652 10.827 1.00 0.00 O ATOM 338 CB GLN A 22 -9.371 6.648 8.920 1.00 0.00 C ATOM 339 CG GLN A 22 -8.124 6.826 8.069 1.00 0.00 C ATOM 340 CD GLN A 22 -7.708 8.284 7.929 1.00 0.00 C ATOM 341 OE1 GLN A 22 -7.915 9.093 8.825 1.00 0.00 O ATOM 342 NE2 GLN A 22 -7.130 8.631 6.805 1.00 0.00 N ATOM 0 H GLN A 22 -11.422 5.927 10.204 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.932 4.829 7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.161 7.287 8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.159 6.991 9.933 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.304 6.260 8.511 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.303 6.407 7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.971 7.934 6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.839 9.598 6.658 1.00 0.00 H new ATOM 351 N LYS A 23 -8.723 3.113 9.207 1.00 0.00 N ATOM 352 CA LYS A 23 -7.844 2.154 9.842 1.00 0.00 C ATOM 353 C LYS A 23 -6.564 2.016 9.068 1.00 0.00 C ATOM 354 O LYS A 23 -6.492 2.404 7.888 1.00 0.00 O ATOM 355 CB LYS A 23 -8.499 0.766 10.121 1.00 0.00 C ATOM 356 CG LYS A 23 -9.115 0.062 8.956 1.00 0.00 C ATOM 357 CD LYS A 23 -10.521 0.533 8.792 1.00 0.00 C ATOM 358 CE LYS A 23 -11.182 -0.106 7.638 1.00 0.00 C ATOM 359 NZ LYS A 23 -11.353 -1.572 7.810 1.00 0.00 N ATOM 0 H LYS A 23 -9.136 2.797 8.330 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.621 2.560 10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.739 0.112 10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.268 0.901 10.881 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.543 0.262 8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.095 -1.016 9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.085 0.317 9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.529 1.615 8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.159 0.353 7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.596 0.084 6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.694 -2.074 7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.155 -1.831 8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.330 -1.838 7.571 1.00 0.00 H new ATOM 373 N ILE A 24 -5.576 1.474 9.713 1.00 0.00 N ATOM 374 CA ILE A 24 -4.258 1.367 9.169 1.00 0.00 C ATOM 375 C ILE A 24 -3.961 -0.100 8.811 1.00 0.00 C ATOM 376 O ILE A 24 -4.417 -1.017 9.497 1.00 0.00 O ATOM 377 CB ILE A 24 -3.249 1.862 10.239 1.00 0.00 C ATOM 378 CG1 ILE A 24 -3.681 3.235 10.774 1.00 0.00 C ATOM 379 CG2 ILE A 24 -1.858 1.960 9.657 1.00 0.00 C ATOM 380 CD1 ILE A 24 -2.910 3.688 11.988 1.00 0.00 C ATOM 0 H ILE A 24 -5.666 1.086 10.652 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.173 1.971 8.265 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.237 1.141 11.057 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.562 3.976 9.983 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.742 3.200 11.022 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.166 2.309 10.424 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.542 0.979 9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.861 2.663 8.824 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.273 4.665 12.306 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.048 2.969 12.796 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.851 3.757 11.741 1.00 0.00 H new ATOM 392 N TYR A 25 -3.226 -0.303 7.732 1.00 0.00 N ATOM 393 CA TYR A 25 -2.844 -1.621 7.254 1.00 0.00 C ATOM 394 C TYR A 25 -1.391 -1.578 6.761 1.00 0.00 C ATOM 395 O TYR A 25 -0.839 -0.496 6.518 1.00 0.00 O ATOM 396 CB TYR A 25 -3.655 -2.014 6.010 1.00 0.00 C ATOM 397 CG TYR A 25 -5.163 -1.935 6.059 1.00 0.00 C ATOM 398 CD1 TYR A 25 -5.922 -3.015 6.473 1.00 0.00 C ATOM 399 CD2 TYR A 25 -5.828 -0.798 5.603 1.00 0.00 C ATOM 400 CE1 TYR A 25 -7.300 -2.965 6.444 1.00 0.00 C ATOM 401 CE2 TYR A 25 -7.200 -0.747 5.556 1.00 0.00 C ATOM 402 CZ TYR A 25 -7.931 -1.831 5.980 1.00 0.00 C ATOM 403 OH TYR A 25 -9.300 -1.789 5.912 1.00 0.00 O ATOM 0 H TYR A 25 -2.871 0.457 7.152 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.004 -2.318 8.077 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.320 -1.383 5.187 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.388 -3.040 5.755 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.429 -3.909 6.824 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.254 0.058 5.281 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.881 -3.810 6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.700 0.137 5.189 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.574 -1.481 5.023 1.00 0.00 H new ATOM 413 N GLU A 26 -0.797 -2.736 6.608 1.00 0.00 N ATOM 414 CA GLU A 26 0.470 -2.890 5.910 1.00 0.00 C ATOM 415 C GLU A 26 0.170 -3.591 4.595 1.00 0.00 C ATOM 416 O GLU A 26 -0.443 -4.677 4.583 1.00 0.00 O ATOM 417 CB GLU A 26 1.471 -3.728 6.698 1.00 0.00 C ATOM 418 CG GLU A 26 2.029 -3.062 7.928 1.00 0.00 C ATOM 419 CD GLU A 26 3.068 -3.918 8.605 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.202 -4.047 8.067 1.00 0.00 O ATOM 421 OE2 GLU A 26 2.786 -4.459 9.698 1.00 0.00 O ATOM 0 H GLU A 26 -1.178 -3.612 6.966 1.00 0.00 H new ATOM 0 HA GLU A 26 0.918 -1.906 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.989 -4.659 6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.298 -3.993 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.470 -2.104 7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.219 -2.852 8.627 1.00 0.00 H new ATOM 428 N ALA A 27 0.567 -3.005 3.508 1.00 0.00 N ATOM 429 CA ALA A 27 0.227 -3.537 2.216 1.00 0.00 C ATOM 430 C ALA A 27 1.441 -3.698 1.355 1.00 0.00 C ATOM 431 O ALA A 27 2.530 -3.355 1.748 1.00 0.00 O ATOM 432 CB ALA A 27 -0.766 -2.629 1.530 1.00 0.00 C ATOM 0 H ALA A 27 1.129 -2.154 3.485 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.217 -4.521 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.018 -3.039 0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.669 -2.553 2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.328 -1.638 1.406 1.00 0.00 H new ATOM 438 N SER A 28 1.252 -4.252 0.201 1.00 0.00 N ATOM 439 CA SER A 28 2.289 -4.376 -0.774 1.00 0.00 C ATOM 440 C SER A 28 1.724 -3.993 -2.125 1.00 0.00 C ATOM 441 O SER A 28 0.598 -4.396 -2.469 1.00 0.00 O ATOM 442 CB SER A 28 2.835 -5.795 -0.780 1.00 0.00 C ATOM 443 OG SER A 28 3.253 -6.162 0.532 1.00 0.00 O ATOM 0 H SER A 28 0.356 -4.638 -0.097 1.00 0.00 H new ATOM 0 HA SER A 28 3.118 -3.711 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.070 -6.486 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.674 -5.868 -1.472 1.00 0.00 H new ATOM 0 HG SER A 28 3.602 -7.078 0.520 1.00 0.00 H new ATOM 449 N ILE A 29 2.468 -3.182 -2.852 1.00 0.00 N ATOM 450 CA ILE A 29 2.037 -2.695 -4.152 1.00 0.00 C ATOM 451 C ILE A 29 1.950 -3.859 -5.121 1.00 0.00 C ATOM 452 O ILE A 29 2.908 -4.636 -5.258 1.00 0.00 O ATOM 453 CB ILE A 29 3.002 -1.610 -4.717 1.00 0.00 C ATOM 454 CG1 ILE A 29 3.219 -0.480 -3.697 1.00 0.00 C ATOM 455 CG2 ILE A 29 2.458 -1.038 -6.025 1.00 0.00 C ATOM 456 CD1 ILE A 29 1.947 0.212 -3.251 1.00 0.00 C ATOM 0 H ILE A 29 3.385 -2.842 -2.561 1.00 0.00 H new ATOM 0 HA ILE A 29 1.058 -2.232 -4.030 1.00 0.00 H new ATOM 0 HB ILE A 29 3.963 -2.086 -4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.722 -0.889 -2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.889 0.262 -4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.145 -0.282 -6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.358 -1.838 -6.758 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.483 -0.585 -5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.191 0.995 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.451 0.654 -4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.282 -0.515 -2.784 1.00 0.00 H new ATOM 468 N LYS A 30 0.801 -4.006 -5.735 1.00 0.00 N ATOM 469 CA LYS A 30 0.546 -5.088 -6.651 1.00 0.00 C ATOM 470 C LYS A 30 0.430 -4.512 -8.083 1.00 0.00 C ATOM 471 O LYS A 30 0.776 -5.168 -9.062 1.00 0.00 O ATOM 472 CB LYS A 30 -0.760 -5.800 -6.197 1.00 0.00 C ATOM 473 CG LYS A 30 -0.917 -7.275 -6.599 1.00 0.00 C ATOM 474 CD LYS A 30 -1.120 -7.490 -8.088 1.00 0.00 C ATOM 475 CE LYS A 30 -2.463 -6.960 -8.563 1.00 0.00 C ATOM 476 NZ LYS A 30 -3.599 -7.678 -7.955 1.00 0.00 N ATOM 0 H LYS A 30 0.011 -3.372 -5.611 1.00 0.00 H new ATOM 0 HA LYS A 30 1.355 -5.818 -6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.823 -5.735 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.608 -5.245 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.031 -7.824 -6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.765 -7.699 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.320 -6.995 -8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.050 -8.554 -8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.537 -5.899 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.521 -7.046 -9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.489 -7.326 -8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.509 -8.696 -8.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.600 -7.519 -6.927 1.00 0.00 H new ATOM 490 N SER A 31 -0.059 -3.286 -8.181 1.00 0.00 N ATOM 491 CA SER A 31 -0.183 -2.579 -9.445 1.00 0.00 C ATOM 492 C SER A 31 -0.475 -1.111 -9.127 1.00 0.00 C ATOM 493 O SER A 31 -0.747 -0.768 -7.965 1.00 0.00 O ATOM 494 CB SER A 31 -1.320 -3.202 -10.304 1.00 0.00 C ATOM 495 OG SER A 31 -1.426 -2.600 -11.590 1.00 0.00 O ATOM 0 H SER A 31 -0.384 -2.749 -7.377 1.00 0.00 H new ATOM 0 HA SER A 31 0.738 -2.659 -10.023 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.139 -4.270 -10.421 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.268 -3.095 -9.777 1.00 0.00 H new ATOM 0 HG SER A 31 -2.152 -3.026 -12.092 1.00 0.00 H new ATOM 501 N THR A 32 -0.373 -0.245 -10.100 1.00 0.00 N ATOM 502 CA THR A 32 -0.690 1.148 -9.915 1.00 0.00 C ATOM 503 C THR A 32 -1.308 1.663 -11.191 1.00 0.00 C ATOM 504 O THR A 32 -0.858 1.308 -12.291 1.00 0.00 O ATOM 505 CB THR A 32 0.558 1.979 -9.625 1.00 0.00 C ATOM 506 OG1 THR A 32 1.424 1.260 -8.732 1.00 0.00 O ATOM 507 CG2 THR A 32 0.168 3.253 -8.945 1.00 0.00 C ATOM 0 H THR A 32 -0.068 -0.484 -11.043 1.00 0.00 H new ATOM 0 HA THR A 32 -1.369 1.236 -9.067 1.00 0.00 H new ATOM 0 HB THR A 32 1.064 2.184 -10.568 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.360 1.646 -7.833 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.061 3.844 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.502 3.820 -9.591 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.340 3.025 -8.008 1.00 0.00 H new ATOM 515 N GLU A 33 -2.311 2.473 -11.053 1.00 0.00 N ATOM 516 CA GLU A 33 -3.013 3.045 -12.179 1.00 0.00 C ATOM 517 C GLU A 33 -3.477 4.427 -11.866 1.00 0.00 C ATOM 518 O GLU A 33 -3.648 4.791 -10.715 1.00 0.00 O ATOM 519 CB GLU A 33 -4.196 2.209 -12.657 1.00 0.00 C ATOM 520 CG GLU A 33 -3.820 0.920 -13.354 1.00 0.00 C ATOM 521 CD GLU A 33 -5.007 0.225 -13.946 1.00 0.00 C ATOM 522 OE1 GLU A 33 -5.683 -0.533 -13.238 1.00 0.00 O ATOM 523 OE2 GLU A 33 -5.297 0.434 -15.147 1.00 0.00 O ATOM 0 H GLU A 33 -2.677 2.765 -10.147 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.289 3.066 -12.993 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.826 1.972 -11.799 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.798 2.812 -13.337 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.097 1.133 -14.141 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.330 0.255 -12.643 1.00 0.00 H new ATOM 530 N ILE A 34 -3.684 5.180 -12.877 1.00 0.00 N ATOM 531 CA ILE A 34 -4.088 6.538 -12.735 1.00 0.00 C ATOM 532 C ILE A 34 -5.535 6.652 -13.167 1.00 0.00 C ATOM 533 O ILE A 34 -5.905 6.175 -14.245 1.00 0.00 O ATOM 534 CB ILE A 34 -3.193 7.530 -13.578 1.00 0.00 C ATOM 535 CG1 ILE A 34 -1.709 7.559 -13.115 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.753 8.947 -13.542 1.00 0.00 C ATOM 537 CD1 ILE A 34 -0.917 6.281 -13.328 1.00 0.00 C ATOM 0 H ILE A 34 -3.578 4.873 -13.844 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.968 6.823 -11.690 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.217 7.148 -14.598 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.202 8.368 -13.640 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.686 7.804 -12.053 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.115 9.606 -14.131 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.761 8.951 -13.958 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.785 9.300 -12.511 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.102 6.420 -12.968 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.388 5.465 -12.779 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.896 6.039 -14.391 1.00 0.00 H new ATOM 549 N ASP A 35 -6.339 7.253 -12.337 1.00 0.00 N ATOM 550 CA ASP A 35 -7.744 7.455 -12.625 1.00 0.00 C ATOM 551 C ASP A 35 -8.085 8.917 -12.496 1.00 0.00 C ATOM 552 O ASP A 35 -8.152 9.460 -11.388 1.00 0.00 O ATOM 553 CB ASP A 35 -8.647 6.607 -11.720 1.00 0.00 C ATOM 554 CG ASP A 35 -10.122 6.877 -11.956 1.00 0.00 C ATOM 555 OD1 ASP A 35 -10.558 6.886 -13.121 1.00 0.00 O ATOM 556 OD2 ASP A 35 -10.870 7.108 -10.979 1.00 0.00 O ATOM 0 H ASP A 35 -6.043 7.622 -11.433 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.926 7.129 -13.649 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.442 5.551 -11.894 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.406 6.811 -10.677 1.00 0.00 H new ATOM 561 N ASP A 36 -8.237 9.540 -13.638 1.00 0.00 N ATOM 562 CA ASP A 36 -8.567 10.955 -13.796 1.00 0.00 C ATOM 563 C ASP A 36 -7.577 11.851 -13.060 1.00 0.00 C ATOM 564 O ASP A 36 -7.886 12.440 -12.014 1.00 0.00 O ATOM 565 CB ASP A 36 -10.023 11.298 -13.425 1.00 0.00 C ATOM 566 CG ASP A 36 -10.472 12.620 -14.036 1.00 0.00 C ATOM 567 OD1 ASP A 36 -10.266 13.696 -13.436 1.00 0.00 O ATOM 568 OD2 ASP A 36 -11.025 12.593 -15.170 1.00 0.00 O ATOM 0 H ASP A 36 -8.131 9.061 -14.532 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.478 11.158 -14.863 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.682 10.499 -13.766 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.118 11.349 -12.340 1.00 0.00 H new ATOM 573 N GLY A 37 -6.342 11.803 -13.516 1.00 0.00 N ATOM 574 CA GLY A 37 -5.300 12.684 -13.012 1.00 0.00 C ATOM 575 C GLY A 37 -4.615 12.214 -11.734 1.00 0.00 C ATOM 576 O GLY A 37 -3.464 12.593 -11.469 1.00 0.00 O ATOM 0 H GLY A 37 -6.030 11.158 -14.242 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.543 12.806 -13.787 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.734 13.668 -12.832 1.00 0.00 H new ATOM 580 N GLU A 38 -5.283 11.421 -10.935 1.00 0.00 N ATOM 581 CA GLU A 38 -4.690 10.960 -9.697 1.00 0.00 C ATOM 582 C GLU A 38 -4.346 9.507 -9.760 1.00 0.00 C ATOM 583 O GLU A 38 -5.032 8.715 -10.408 1.00 0.00 O ATOM 584 CB GLU A 38 -5.539 11.336 -8.471 1.00 0.00 C ATOM 585 CG GLU A 38 -6.974 10.838 -8.464 1.00 0.00 C ATOM 586 CD GLU A 38 -7.793 11.566 -7.416 1.00 0.00 C ATOM 587 OE1 GLU A 38 -7.756 12.818 -7.385 1.00 0.00 O ATOM 588 OE2 GLU A 38 -8.491 10.929 -6.624 1.00 0.00 O ATOM 0 H GLU A 38 -6.228 11.082 -11.113 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.746 11.489 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.041 10.954 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.554 12.423 -8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.420 10.986 -9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.991 9.766 -8.265 1.00 0.00 H new ATOM 595 N VAL A 39 -3.283 9.161 -9.108 1.00 0.00 N ATOM 596 CA VAL A 39 -2.778 7.832 -9.163 1.00 0.00 C ATOM 597 C VAL A 39 -3.229 7.036 -7.950 1.00 0.00 C ATOM 598 O VAL A 39 -3.110 7.478 -6.783 1.00 0.00 O ATOM 599 CB VAL A 39 -1.222 7.818 -9.318 1.00 0.00 C ATOM 600 CG1 VAL A 39 -0.526 8.484 -8.141 1.00 0.00 C ATOM 601 CG2 VAL A 39 -0.695 6.408 -9.570 1.00 0.00 C ATOM 0 H VAL A 39 -2.741 9.796 -8.522 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.190 7.350 -10.049 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.983 8.412 -10.200 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.553 8.452 -8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.851 9.522 -8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.781 7.957 -7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.390 6.438 -9.672 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.963 5.764 -8.732 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.135 6.013 -10.486 1.00 0.00 H new ATOM 611 N LEU A 40 -3.801 5.911 -8.222 1.00 0.00 N ATOM 612 CA LEU A 40 -4.241 5.038 -7.210 1.00 0.00 C ATOM 613 C LEU A 40 -3.482 3.770 -7.306 1.00 0.00 C ATOM 614 O LEU A 40 -2.973 3.404 -8.370 1.00 0.00 O ATOM 615 CB LEU A 40 -5.734 4.764 -7.248 1.00 0.00 C ATOM 616 CG LEU A 40 -6.661 5.956 -7.035 1.00 0.00 C ATOM 617 CD1 LEU A 40 -6.938 6.689 -8.328 1.00 0.00 C ATOM 618 CD2 LEU A 40 -7.916 5.500 -6.344 1.00 0.00 C ATOM 0 H LEU A 40 -3.974 5.576 -9.170 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.054 5.529 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.972 4.318 -8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.961 4.018 -6.487 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.166 6.681 -6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.602 7.531 -8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.001 7.055 -8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.411 6.010 -9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.578 6.353 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.420 4.754 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.661 5.062 -5.379 1.00 0.00 H new ATOM 630 N TYR A 41 -3.404 3.101 -6.240 1.00 0.00 N ATOM 631 CA TYR A 41 -2.594 1.944 -6.168 1.00 0.00 C ATOM 632 C TYR A 41 -3.434 0.756 -5.878 1.00 0.00 C ATOM 633 O TYR A 41 -4.425 0.841 -5.157 1.00 0.00 O ATOM 634 CB TYR A 41 -1.510 2.109 -5.089 1.00 0.00 C ATOM 635 CG TYR A 41 -0.513 3.228 -5.353 1.00 0.00 C ATOM 636 CD1 TYR A 41 -0.889 4.564 -5.265 1.00 0.00 C ATOM 637 CD2 TYR A 41 0.803 2.947 -5.674 1.00 0.00 C ATOM 638 CE1 TYR A 41 0.009 5.576 -5.494 1.00 0.00 C ATOM 639 CE2 TYR A 41 1.710 3.964 -5.909 1.00 0.00 C ATOM 640 CZ TYR A 41 1.301 5.279 -5.813 1.00 0.00 C ATOM 641 OH TYR A 41 2.198 6.302 -6.032 1.00 0.00 O ATOM 0 H TYR A 41 -3.899 3.331 -5.378 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.100 1.802 -7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.996 2.293 -4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.965 1.170 -4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.909 4.810 -5.011 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.127 1.919 -5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.307 6.606 -5.422 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.733 3.731 -6.166 1.00 0.00 H new ATOM 0 HH TYR A 41 3.077 5.926 -6.248 1.00 0.00 H new ATOM 651 N LEU A 42 -3.044 -0.332 -6.426 1.00 0.00 N ATOM 652 CA LEU A 42 -3.683 -1.563 -6.188 1.00 0.00 C ATOM 653 C LEU A 42 -2.738 -2.322 -5.333 1.00 0.00 C ATOM 654 O LEU A 42 -1.656 -2.735 -5.778 1.00 0.00 O ATOM 655 CB LEU A 42 -3.961 -2.300 -7.499 1.00 0.00 C ATOM 656 CG LEU A 42 -4.584 -3.692 -7.377 1.00 0.00 C ATOM 657 CD1 LEU A 42 -5.870 -3.640 -6.576 1.00 0.00 C ATOM 658 CD2 LEU A 42 -4.848 -4.267 -8.754 1.00 0.00 C ATOM 0 H LEU A 42 -2.253 -0.390 -7.067 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.653 -1.436 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.623 -1.681 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.022 -2.392 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.881 -4.338 -6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.294 -4.641 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.661 -3.261 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.581 -2.980 -7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.291 -5.258 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.533 -3.615 -9.295 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.909 -4.342 -9.303 1.00 0.00 H new ATOM 670 N VAL A 43 -3.080 -2.414 -4.103 1.00 0.00 N ATOM 671 CA VAL A 43 -2.227 -2.980 -3.126 1.00 0.00 C ATOM 672 C VAL A 43 -2.916 -4.170 -2.519 1.00 0.00 C ATOM 673 O VAL A 43 -4.147 -4.247 -2.499 1.00 0.00 O ATOM 674 CB VAL A 43 -1.891 -1.926 -2.004 1.00 0.00 C ATOM 675 CG1 VAL A 43 -1.390 -0.630 -2.612 1.00 0.00 C ATOM 676 CG2 VAL A 43 -3.085 -1.657 -1.086 1.00 0.00 C ATOM 0 H VAL A 43 -3.977 -2.092 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.292 -3.286 -3.595 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.099 -2.357 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.165 0.081 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.487 -0.825 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.157 -0.214 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.804 -0.924 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.917 -1.270 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.386 -2.585 -0.599 1.00 0.00 H new ATOM 686 N HIS A 44 -2.165 -5.103 -2.071 1.00 0.00 N ATOM 687 CA HIS A 44 -2.750 -6.190 -1.364 1.00 0.00 C ATOM 688 C HIS A 44 -2.169 -6.172 0.003 1.00 0.00 C ATOM 689 O HIS A 44 -0.980 -5.863 0.168 1.00 0.00 O ATOM 690 CB HIS A 44 -2.556 -7.570 -2.056 1.00 0.00 C ATOM 691 CG HIS A 44 -1.168 -8.153 -1.996 1.00 0.00 C ATOM 692 ND1 HIS A 44 -0.753 -8.982 -0.976 1.00 0.00 N ATOM 693 CD2 HIS A 44 -0.107 -8.025 -2.827 1.00 0.00 C ATOM 694 CE1 HIS A 44 0.496 -9.330 -1.178 1.00 0.00 C ATOM 695 NE2 HIS A 44 0.915 -8.768 -2.296 1.00 0.00 N ATOM 0 H HIS A 44 -1.151 -5.142 -2.177 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.832 -6.061 -1.339 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.247 -8.281 -1.603 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.842 -7.472 -3.103 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -1.327 -9.279 -0.187 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.072 -7.446 -3.738 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.083 -9.970 -0.536 1.00 0.00 H new ATOM 704 N TYR A 45 -2.969 -6.436 0.966 1.00 0.00 N ATOM 705 CA TYR A 45 -2.511 -6.453 2.320 1.00 0.00 C ATOM 706 C TYR A 45 -1.800 -7.766 2.562 1.00 0.00 C ATOM 707 O TYR A 45 -2.026 -8.736 1.826 1.00 0.00 O ATOM 708 CB TYR A 45 -3.680 -6.244 3.296 1.00 0.00 C ATOM 709 CG TYR A 45 -4.489 -4.986 3.004 1.00 0.00 C ATOM 710 CD1 TYR A 45 -3.870 -3.758 2.834 1.00 0.00 C ATOM 711 CD2 TYR A 45 -5.860 -5.039 2.860 1.00 0.00 C ATOM 712 CE1 TYR A 45 -4.600 -2.617 2.534 1.00 0.00 C ATOM 713 CE2 TYR A 45 -6.597 -3.906 2.560 1.00 0.00 C ATOM 714 CZ TYR A 45 -5.967 -2.703 2.398 1.00 0.00 C ATOM 715 OH TYR A 45 -6.712 -1.573 2.101 1.00 0.00 O ATOM 0 H TYR A 45 -3.960 -6.647 0.848 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.815 -5.632 2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.340 -7.111 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.291 -6.190 4.313 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.797 -3.688 2.937 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.369 -5.984 2.984 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.099 -1.668 2.408 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.670 -3.972 2.454 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.987 -1.135 2.933 1.00 0.00 H new ATOM 725 N TYR A 46 -0.879 -7.790 3.478 1.00 0.00 N ATOM 726 CA TYR A 46 -0.223 -9.026 3.786 1.00 0.00 C ATOM 727 C TYR A 46 -0.440 -9.345 5.242 1.00 0.00 C ATOM 728 O TYR A 46 -0.791 -8.460 6.023 1.00 0.00 O ATOM 729 CB TYR A 46 1.284 -9.019 3.406 1.00 0.00 C ATOM 730 CG TYR A 46 2.227 -8.241 4.318 1.00 0.00 C ATOM 731 CD1 TYR A 46 2.504 -6.893 4.115 1.00 0.00 C ATOM 732 CD2 TYR A 46 2.869 -8.887 5.367 1.00 0.00 C ATOM 733 CE1 TYR A 46 3.395 -6.217 4.944 1.00 0.00 C ATOM 734 CE2 TYR A 46 3.754 -8.228 6.185 1.00 0.00 C ATOM 735 CZ TYR A 46 4.021 -6.899 5.977 1.00 0.00 C ATOM 736 OH TYR A 46 4.933 -6.247 6.803 1.00 0.00 O ATOM 0 H TYR A 46 -0.568 -6.982 4.018 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.665 -9.814 3.176 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.628 -10.053 3.367 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.377 -8.614 2.398 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.022 -6.365 3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.667 -9.933 5.544 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.598 -5.168 4.784 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.240 -8.756 6.992 1.00 0.00 H new ATOM 0 HH TYR A 46 4.578 -5.369 7.054 1.00 0.00 H new ATOM 746 N GLY A 47 -0.249 -10.579 5.599 1.00 0.00 N ATOM 747 CA GLY A 47 -0.464 -11.009 6.945 1.00 0.00 C ATOM 748 C GLY A 47 -1.244 -12.270 6.928 1.00 0.00 C ATOM 749 O GLY A 47 -0.740 -13.311 6.467 1.00 0.00 O ATOM 0 H GLY A 47 0.060 -11.315 4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.490 -11.163 7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.000 -10.242 7.505 1.00 0.00 H new ATOM 753 N TRP A 48 -2.456 -12.210 7.383 1.00 0.00 N ATOM 754 CA TRP A 48 -3.322 -13.335 7.273 1.00 0.00 C ATOM 755 C TRP A 48 -4.217 -13.131 6.071 1.00 0.00 C ATOM 756 O TRP A 48 -4.470 -14.058 5.302 1.00 0.00 O ATOM 757 CB TRP A 48 -4.137 -13.597 8.538 1.00 0.00 C ATOM 758 CG TRP A 48 -4.939 -14.851 8.408 1.00 0.00 C ATOM 759 CD1 TRP A 48 -6.284 -14.957 8.231 1.00 0.00 C ATOM 760 CD2 TRP A 48 -4.422 -16.189 8.384 1.00 0.00 C ATOM 761 NE1 TRP A 48 -6.634 -16.274 8.105 1.00 0.00 N ATOM 762 CE2 TRP A 48 -5.511 -17.050 8.205 1.00 0.00 C ATOM 763 CE3 TRP A 48 -3.137 -16.739 8.505 1.00 0.00 C ATOM 764 CZ2 TRP A 48 -5.366 -18.428 8.140 1.00 0.00 C ATOM 765 CZ3 TRP A 48 -2.995 -18.110 8.441 1.00 0.00 C ATOM 766 CH2 TRP A 48 -4.103 -18.941 8.261 1.00 0.00 C ATOM 0 H TRP A 48 -2.866 -11.392 7.834 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.710 -14.227 7.142 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.469 -13.676 9.396 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.802 -12.754 8.728 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.973 -14.126 8.195 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.582 -16.622 7.960 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.276 -16.102 8.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -6.220 -19.074 7.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.012 -18.547 8.532 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.960 -20.011 8.216 1.00 0.00 H new ATOM 777 N ASN A 49 -4.694 -11.912 5.888 1.00 0.00 N ATOM 778 CA ASN A 49 -5.438 -11.618 4.689 1.00 0.00 C ATOM 779 C ASN A 49 -4.487 -11.099 3.637 1.00 0.00 C ATOM 780 O ASN A 49 -4.222 -9.905 3.528 1.00 0.00 O ATOM 781 CB ASN A 49 -6.643 -10.653 4.924 1.00 0.00 C ATOM 782 CG ASN A 49 -6.344 -9.443 5.821 1.00 0.00 C ATOM 783 OD1 ASN A 49 -6.577 -9.488 7.024 1.00 0.00 O ATOM 784 ND2 ASN A 49 -5.820 -8.382 5.269 1.00 0.00 N ATOM 0 H ASN A 49 -4.581 -11.134 6.537 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.895 -12.544 4.340 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.992 -10.291 3.957 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.462 -11.220 5.367 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.596 -7.568 5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.635 -8.368 4.266 1.00 0.00 H new ATOM 791 N VAL A 50 -3.957 -12.026 2.882 1.00 0.00 N ATOM 792 CA VAL A 50 -2.989 -11.735 1.841 1.00 0.00 C ATOM 793 C VAL A 50 -3.704 -11.481 0.533 1.00 0.00 C ATOM 794 O VAL A 50 -3.270 -10.676 -0.295 1.00 0.00 O ATOM 795 CB VAL A 50 -1.971 -12.901 1.676 1.00 0.00 C ATOM 796 CG1 VAL A 50 -0.894 -12.563 0.650 1.00 0.00 C ATOM 797 CG2 VAL A 50 -1.338 -13.251 3.016 1.00 0.00 C ATOM 0 H VAL A 50 -4.184 -13.017 2.969 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.434 -10.843 2.130 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.519 -13.769 1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.201 -13.400 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.360 -12.373 -0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.351 -11.675 0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.629 -14.068 2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.816 -12.379 3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.115 -13.557 3.717 1.00 0.00 H new ATOM 807 N ARG A 51 -4.833 -12.142 0.380 1.00 0.00 N ATOM 808 CA ARG A 51 -5.622 -12.072 -0.834 1.00 0.00 C ATOM 809 C ARG A 51 -6.568 -10.885 -0.814 1.00 0.00 C ATOM 810 O ARG A 51 -7.435 -10.760 -1.683 1.00 0.00 O ATOM 811 CB ARG A 51 -6.415 -13.360 -1.024 1.00 0.00 C ATOM 812 CG ARG A 51 -5.562 -14.605 -1.209 1.00 0.00 C ATOM 813 CD ARG A 51 -6.431 -15.844 -1.190 1.00 0.00 C ATOM 814 NE ARG A 51 -7.157 -15.956 0.083 1.00 0.00 N ATOM 815 CZ ARG A 51 -8.340 -16.556 0.255 1.00 0.00 C ATOM 816 NH1 ARG A 51 -8.938 -17.176 -0.760 1.00 0.00 N ATOM 817 NH2 ARG A 51 -8.913 -16.542 1.453 1.00 0.00 N ATOM 0 H ARG A 51 -5.232 -12.747 1.098 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.933 -11.944 -1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.062 -13.504 -0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.064 -13.247 -1.893 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.021 -14.546 -2.153 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.815 -14.664 -0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.141 -15.808 -2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.813 -16.729 -1.340 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.721 -15.540 0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.494 -17.196 -1.678 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.840 -17.631 -0.620 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.451 -16.076 2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.815 -16.997 1.592 1.00 0.00 H new ATOM 831 N TYR A 52 -6.435 -10.019 0.163 1.00 0.00 N ATOM 832 CA TYR A 52 -7.248 -8.852 0.171 1.00 0.00 C ATOM 833 C TYR A 52 -6.528 -7.780 -0.638 1.00 0.00 C ATOM 834 O TYR A 52 -5.668 -7.038 -0.132 1.00 0.00 O ATOM 835 CB TYR A 52 -7.595 -8.379 1.582 1.00 0.00 C ATOM 836 CG TYR A 52 -8.771 -7.419 1.595 1.00 0.00 C ATOM 837 CD1 TYR A 52 -8.614 -6.097 1.250 1.00 0.00 C ATOM 838 CD2 TYR A 52 -10.042 -7.855 1.938 1.00 0.00 C ATOM 839 CE1 TYR A 52 -9.669 -5.227 1.244 1.00 0.00 C ATOM 840 CE2 TYR A 52 -11.121 -6.984 1.933 1.00 0.00 C ATOM 841 CZ TYR A 52 -10.919 -5.664 1.584 1.00 0.00 C ATOM 842 OH TYR A 52 -11.976 -4.774 1.568 1.00 0.00 O ATOM 0 H TYR A 52 -5.783 -10.107 0.942 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.212 -9.079 -0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.827 -9.242 2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.726 -7.891 2.023 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.633 -5.737 0.977 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.194 -8.888 2.213 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.515 -4.194 0.970 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.107 -7.334 2.199 1.00 0.00 H new ATOM 0 HH TYR A 52 -12.069 -4.392 0.670 1.00 0.00 H new ATOM 852 N ASP A 53 -6.825 -7.798 -1.903 1.00 0.00 N ATOM 853 CA ASP A 53 -6.245 -6.935 -2.919 1.00 0.00 C ATOM 854 C ASP A 53 -7.242 -5.815 -3.206 1.00 0.00 C ATOM 855 O ASP A 53 -8.370 -6.094 -3.631 1.00 0.00 O ATOM 856 CB ASP A 53 -6.026 -7.831 -4.157 1.00 0.00 C ATOM 857 CG ASP A 53 -5.365 -7.183 -5.346 1.00 0.00 C ATOM 858 OD1 ASP A 53 -4.113 -7.154 -5.408 1.00 0.00 O ATOM 859 OD2 ASP A 53 -6.081 -6.798 -6.297 1.00 0.00 O ATOM 0 H ASP A 53 -7.514 -8.445 -2.286 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.302 -6.479 -2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.423 -8.688 -3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.994 -8.218 -4.474 1.00 0.00 H new ATOM 864 N GLU A 54 -6.877 -4.572 -2.931 1.00 0.00 N ATOM 865 CA GLU A 54 -7.821 -3.465 -3.051 1.00 0.00 C ATOM 866 C GLU A 54 -7.100 -2.155 -3.408 1.00 0.00 C ATOM 867 O GLU A 54 -5.874 -2.055 -3.309 1.00 0.00 O ATOM 868 CB GLU A 54 -8.643 -3.348 -1.747 1.00 0.00 C ATOM 869 CG GLU A 54 -9.831 -2.414 -1.823 1.00 0.00 C ATOM 870 CD GLU A 54 -10.762 -2.553 -0.660 1.00 0.00 C ATOM 871 OE1 GLU A 54 -11.647 -3.441 -0.708 1.00 0.00 O ATOM 872 OE2 GLU A 54 -10.655 -1.788 0.308 1.00 0.00 O ATOM 0 H GLU A 54 -5.942 -4.303 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.511 -3.665 -3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.997 -4.340 -1.468 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.983 -3.009 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.474 -1.385 -1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.379 -2.607 -2.745 1.00 0.00 H new ATOM 879 N TRP A 55 -7.869 -1.170 -3.820 1.00 0.00 N ATOM 880 CA TRP A 55 -7.347 0.077 -4.303 1.00 0.00 C ATOM 881 C TRP A 55 -7.348 1.139 -3.246 1.00 0.00 C ATOM 882 O TRP A 55 -8.384 1.438 -2.632 1.00 0.00 O ATOM 883 CB TRP A 55 -8.182 0.571 -5.469 1.00 0.00 C ATOM 884 CG TRP A 55 -8.089 -0.296 -6.674 1.00 0.00 C ATOM 885 CD1 TRP A 55 -8.751 -1.470 -6.906 1.00 0.00 C ATOM 886 CD2 TRP A 55 -7.274 -0.057 -7.814 1.00 0.00 C ATOM 887 NE1 TRP A 55 -8.397 -1.968 -8.136 1.00 0.00 N ATOM 888 CE2 TRP A 55 -7.488 -1.117 -8.712 1.00 0.00 C ATOM 889 CE3 TRP A 55 -6.380 0.959 -8.163 1.00 0.00 C ATOM 890 CZ2 TRP A 55 -6.839 -1.189 -9.934 1.00 0.00 C ATOM 891 CZ3 TRP A 55 -5.737 0.883 -9.371 1.00 0.00 C ATOM 892 CH2 TRP A 55 -5.970 -0.180 -10.244 1.00 0.00 C ATOM 0 H TRP A 55 -8.888 -1.220 -3.826 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.318 -0.109 -4.610 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.224 0.636 -5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.864 1.580 -5.732 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.447 -1.936 -6.224 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.752 -2.829 -8.553 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.199 1.787 -7.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.013 -2.009 -10.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.039 1.658 -9.651 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.450 -0.207 -11.190 1.00 0.00 H new ATOM 903 N VAL A 56 -6.209 1.716 -3.047 1.00 0.00 N ATOM 904 CA VAL A 56 -6.038 2.812 -2.148 1.00 0.00 C ATOM 905 C VAL A 56 -5.257 3.876 -2.890 1.00 0.00 C ATOM 906 O VAL A 56 -4.419 3.562 -3.729 1.00 0.00 O ATOM 907 CB VAL A 56 -5.328 2.409 -0.812 1.00 0.00 C ATOM 908 CG1 VAL A 56 -6.137 1.353 -0.069 1.00 0.00 C ATOM 909 CG2 VAL A 56 -3.906 1.915 -1.050 1.00 0.00 C ATOM 0 H VAL A 56 -5.349 1.432 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.016 3.183 -1.841 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.267 3.306 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.626 1.087 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.126 1.749 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.239 0.466 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.450 1.646 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.929 1.041 -1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.321 2.704 -1.522 1.00 0.00 H new ATOM 919 N LYS A 57 -5.557 5.100 -2.650 1.00 0.00 N ATOM 920 CA LYS A 57 -4.933 6.162 -3.366 1.00 0.00 C ATOM 921 C LYS A 57 -3.665 6.610 -2.655 1.00 0.00 C ATOM 922 O LYS A 57 -3.476 6.287 -1.492 1.00 0.00 O ATOM 923 CB LYS A 57 -5.950 7.278 -3.507 1.00 0.00 C ATOM 924 CG LYS A 57 -5.547 8.439 -4.374 1.00 0.00 C ATOM 925 CD LYS A 57 -6.767 9.214 -4.778 1.00 0.00 C ATOM 926 CE LYS A 57 -7.498 9.833 -3.598 1.00 0.00 C ATOM 927 NZ LYS A 57 -8.759 10.449 -4.029 1.00 0.00 N ATOM 0 H LYS A 57 -6.240 5.398 -1.954 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.621 5.839 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.870 6.854 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.182 7.658 -2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.855 9.086 -3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.023 8.080 -5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.476 10.003 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.449 8.554 -5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.700 9.068 -2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.864 10.584 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.758 11.457 -3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.857 10.354 -5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.556 9.973 -3.560 1.00 0.00 H new ATOM 941 N ALA A 58 -2.820 7.373 -3.361 1.00 0.00 N ATOM 942 CA ALA A 58 -1.537 7.891 -2.847 1.00 0.00 C ATOM 943 C ALA A 58 -1.711 8.628 -1.519 1.00 0.00 C ATOM 944 O ALA A 58 -0.822 8.635 -0.669 1.00 0.00 O ATOM 945 CB ALA A 58 -0.929 8.825 -3.876 1.00 0.00 C ATOM 0 H ALA A 58 -3.009 7.655 -4.323 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.876 7.043 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.019 9.211 -3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.758 8.281 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.611 9.655 -4.062 1.00 0.00 H new ATOM 951 N ASP A 59 -2.873 9.216 -1.357 1.00 0.00 N ATOM 952 CA ASP A 59 -3.247 9.956 -0.149 1.00 0.00 C ATOM 953 C ASP A 59 -3.413 9.030 1.061 1.00 0.00 C ATOM 954 O ASP A 59 -3.225 9.433 2.202 1.00 0.00 O ATOM 955 CB ASP A 59 -4.539 10.750 -0.406 1.00 0.00 C ATOM 956 CG ASP A 59 -5.145 11.372 0.845 1.00 0.00 C ATOM 957 OD1 ASP A 59 -4.707 12.458 1.272 1.00 0.00 O ATOM 958 OD2 ASP A 59 -6.100 10.785 1.403 1.00 0.00 O ATOM 0 H ASP A 59 -3.606 9.200 -2.066 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.438 10.648 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.330 11.540 -1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.275 10.088 -0.863 1.00 0.00 H new ATOM 963 N ARG A 60 -3.693 7.788 0.798 1.00 0.00 N ATOM 964 CA ARG A 60 -3.957 6.832 1.845 1.00 0.00 C ATOM 965 C ARG A 60 -2.752 5.949 2.119 1.00 0.00 C ATOM 966 O ARG A 60 -2.862 4.957 2.832 1.00 0.00 O ATOM 967 CB ARG A 60 -5.159 5.950 1.475 1.00 0.00 C ATOM 968 CG ARG A 60 -6.497 6.671 1.404 1.00 0.00 C ATOM 969 CD ARG A 60 -6.754 7.469 2.667 1.00 0.00 C ATOM 970 NE ARG A 60 -8.176 7.629 2.946 1.00 0.00 N ATOM 971 CZ ARG A 60 -8.815 8.804 3.067 1.00 0.00 C ATOM 972 NH1 ARG A 60 -8.202 9.939 2.766 1.00 0.00 N ATOM 973 NH2 ARG A 60 -10.080 8.833 3.450 1.00 0.00 N ATOM 0 H ARG A 60 -3.746 7.404 -0.146 1.00 0.00 H new ATOM 0 HA ARG A 60 -4.180 7.398 2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.964 5.485 0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.237 5.145 2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.510 7.336 0.541 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.297 5.945 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.275 6.972 3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.293 8.452 2.572 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.730 6.780 3.058 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.236 9.926 2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.696 10.826 2.861 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.571 7.963 3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.565 9.726 3.542 1.00 0.00 H new ATOM 987 N ILE A 61 -1.612 6.304 1.575 1.00 0.00 N ATOM 988 CA ILE A 61 -0.448 5.484 1.711 1.00 0.00 C ATOM 989 C ILE A 61 0.687 6.243 2.401 1.00 0.00 C ATOM 990 O ILE A 61 0.897 7.437 2.152 1.00 0.00 O ATOM 991 CB ILE A 61 0.027 5.000 0.313 1.00 0.00 C ATOM 992 CG1 ILE A 61 -1.094 4.236 -0.390 1.00 0.00 C ATOM 993 CG2 ILE A 61 1.254 4.122 0.430 1.00 0.00 C ATOM 994 CD1 ILE A 61 -0.722 3.730 -1.757 1.00 0.00 C ATOM 0 H ILE A 61 -1.473 7.158 1.035 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.713 4.625 2.327 1.00 0.00 H new ATOM 0 HB ILE A 61 0.288 5.878 -0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.390 3.391 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.964 4.887 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.565 3.797 -0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.062 4.686 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.020 3.250 1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.569 3.199 -2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.455 4.572 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.128 3.053 -1.675 1.00 0.00 H new ATOM 1006 N ILE A 62 1.402 5.554 3.254 1.00 0.00 N ATOM 1007 CA ILE A 62 2.580 6.082 3.872 1.00 0.00 C ATOM 1008 C ILE A 62 3.753 5.362 3.235 1.00 0.00 C ATOM 1009 O ILE A 62 3.877 4.132 3.347 1.00 0.00 O ATOM 1010 CB ILE A 62 2.683 5.844 5.424 1.00 0.00 C ATOM 1011 CG1 ILE A 62 1.445 6.325 6.213 1.00 0.00 C ATOM 1012 CG2 ILE A 62 3.943 6.499 5.976 1.00 0.00 C ATOM 1013 CD1 ILE A 62 0.317 5.308 6.330 1.00 0.00 C ATOM 0 H ILE A 62 1.176 4.601 3.538 1.00 0.00 H new ATOM 0 HA ILE A 62 2.563 7.162 3.726 1.00 0.00 H new ATOM 0 HB ILE A 62 2.731 4.764 5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.761 6.610 7.216 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.055 7.223 5.734 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.002 6.327 7.051 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.819 6.069 5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.911 7.571 5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.505 5.740 6.901 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.035 5.039 5.334 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.682 4.416 6.839 1.00 0.00 H new ATOM 1025 N TRP A 63 4.555 6.095 2.533 1.00 0.00 N ATOM 1026 CA TRP A 63 5.720 5.554 1.893 1.00 0.00 C ATOM 1027 C TRP A 63 6.909 5.610 2.828 1.00 0.00 C ATOM 1028 O TRP A 63 7.001 6.525 3.660 1.00 0.00 O ATOM 1029 CB TRP A 63 6.029 6.319 0.607 1.00 0.00 C ATOM 1030 CG TRP A 63 5.008 6.113 -0.453 1.00 0.00 C ATOM 1031 CD1 TRP A 63 3.876 6.842 -0.672 1.00 0.00 C ATOM 1032 CD2 TRP A 63 5.028 5.092 -1.441 1.00 0.00 C ATOM 1033 NE1 TRP A 63 3.194 6.328 -1.740 1.00 0.00 N ATOM 1034 CE2 TRP A 63 3.884 5.250 -2.229 1.00 0.00 C ATOM 1035 CE3 TRP A 63 5.914 4.055 -1.732 1.00 0.00 C ATOM 1036 CZ2 TRP A 63 3.600 4.411 -3.289 1.00 0.00 C ATOM 1037 CZ3 TRP A 63 5.631 3.218 -2.789 1.00 0.00 C ATOM 1038 CH2 TRP A 63 4.482 3.400 -3.556 1.00 0.00 C ATOM 0 H TRP A 63 4.423 7.095 2.384 1.00 0.00 H new ATOM 0 HA TRP A 63 5.520 4.513 1.640 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.101 7.383 0.832 1.00 0.00 H new ATOM 0 HB3 TRP A 63 7.003 6.007 0.231 1.00 0.00 H new ATOM 0 HD1 TRP A 63 3.565 7.697 -0.089 1.00 0.00 H new ATOM 0 HE1 TRP A 63 2.315 6.688 -2.112 1.00 0.00 H new ATOM 0 HE3 TRP A 63 6.805 3.911 -1.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 2.711 4.549 -3.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 6.308 2.411 -3.026 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.284 2.729 -4.379 1.00 0.00 H new ATOM 1049 N PRO A 64 7.809 4.617 2.769 1.00 0.00 N ATOM 1050 CA PRO A 64 9.024 4.638 3.559 1.00 0.00 C ATOM 1051 C PRO A 64 9.995 5.662 3.020 1.00 0.00 C ATOM 1052 O PRO A 64 10.462 5.572 1.874 1.00 0.00 O ATOM 1053 CB PRO A 64 9.586 3.217 3.433 1.00 0.00 C ATOM 1054 CG PRO A 64 8.473 2.424 2.837 1.00 0.00 C ATOM 1055 CD PRO A 64 7.706 3.382 1.986 1.00 0.00 C ATOM 0 HA PRO A 64 8.844 4.916 4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.472 3.196 2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.880 2.819 4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.857 1.594 2.244 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.839 1.995 3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.143 3.489 0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.671 3.069 1.847 1.00 0.00 H new ATOM 1063 N LEU A 65 10.297 6.604 3.865 1.00 0.00 N ATOM 1064 CA LEU A 65 11.120 7.745 3.577 1.00 0.00 C ATOM 1065 C LEU A 65 11.077 8.532 4.859 1.00 0.00 C ATOM 1066 O LEU A 65 10.159 9.346 5.060 1.00 0.00 O ATOM 1067 CB LEU A 65 10.472 8.550 2.422 1.00 0.00 C ATOM 1068 CG LEU A 65 11.283 9.622 1.688 1.00 0.00 C ATOM 1069 CD1 LEU A 65 10.424 10.199 0.588 1.00 0.00 C ATOM 1070 CD2 LEU A 65 11.746 10.729 2.615 1.00 0.00 C ATOM 0 H LEU A 65 9.957 6.597 4.827 1.00 0.00 H new ATOM 0 HA LEU A 65 12.137 7.498 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.134 7.831 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.582 9.035 2.824 1.00 0.00 H new ATOM 0 HG LEU A 65 12.179 9.156 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.985 10.965 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.140 9.407 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.527 10.642 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.316 11.464 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.879 11.212 3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.376 10.308 3.399 1.00 0.00 H new ATOM 1082 N ASP A 66 11.994 8.195 5.779 1.00 0.00 N ATOM 1083 CA ASP A 66 11.988 8.757 7.137 1.00 0.00 C ATOM 1084 C ASP A 66 10.591 8.433 7.694 1.00 0.00 C ATOM 1085 O ASP A 66 10.079 7.312 7.468 1.00 0.00 O ATOM 1086 CB ASP A 66 12.249 10.294 7.055 1.00 0.00 C ATOM 1087 CG ASP A 66 12.443 10.976 8.404 1.00 0.00 C ATOM 1088 OD1 ASP A 66 13.578 11.057 8.872 1.00 0.00 O ATOM 1089 OD2 ASP A 66 11.440 11.450 8.999 1.00 0.00 O ATOM 0 H ASP A 66 12.751 7.534 5.605 1.00 0.00 H new ATOM 0 HA ASP A 66 12.763 8.345 7.783 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.135 10.467 6.444 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.411 10.765 6.541 1.00 0.00 H new ATOM 1094 N LYS A 67 9.989 9.326 8.384 1.00 0.00 N ATOM 1095 CA LYS A 67 8.632 9.198 8.717 1.00 0.00 C ATOM 1096 C LYS A 67 8.075 10.590 8.776 1.00 0.00 C ATOM 1097 O LYS A 67 7.539 11.048 9.788 1.00 0.00 O ATOM 1098 CB LYS A 67 8.396 8.413 10.006 1.00 0.00 C ATOM 1099 CG LYS A 67 7.097 7.606 9.966 1.00 0.00 C ATOM 1100 CD LYS A 67 5.859 8.473 9.903 1.00 0.00 C ATOM 1101 CE LYS A 67 4.624 7.656 9.614 1.00 0.00 C ATOM 1102 NZ LYS A 67 3.415 8.489 9.635 1.00 0.00 N ATOM 0 H LYS A 67 10.434 10.174 8.735 1.00 0.00 H new ATOM 0 HA LYS A 67 8.115 8.607 7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.235 7.738 10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.366 9.104 10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.114 6.945 9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.044 6.971 10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.734 9.000 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.984 9.231 9.130 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.722 7.178 8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.532 6.859 10.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.574 7.881 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.382 9.030 10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.432 9.146 8.829 1.00 0.00 H new ATOM 1116 N GLY A 68 8.245 11.277 7.692 1.00 0.00 N ATOM 1117 CA GLY A 68 7.751 12.604 7.612 1.00 0.00 C ATOM 1118 C GLY A 68 6.457 12.661 6.871 1.00 0.00 C ATOM 1119 O GLY A 68 5.876 13.736 6.672 1.00 0.00 O ATOM 0 H GLY A 68 8.721 10.939 6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.614 13.004 8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.485 13.237 7.114 1.00 0.00 H new ATOM 1123 N LEU A 69 5.999 11.515 6.452 1.00 0.00 N ATOM 1124 CA LEU A 69 4.764 11.429 5.747 1.00 0.00 C ATOM 1125 C LEU A 69 3.639 11.266 6.722 1.00 0.00 C ATOM 1126 O LEU A 69 3.523 10.226 7.403 1.00 0.00 O ATOM 1127 CB LEU A 69 4.731 10.291 4.711 1.00 0.00 C ATOM 1128 CG LEU A 69 5.744 10.357 3.563 1.00 0.00 C ATOM 1129 CD1 LEU A 69 7.137 9.981 4.029 1.00 0.00 C ATOM 1130 CD2 LEU A 69 5.306 9.476 2.420 1.00 0.00 C ATOM 0 H LEU A 69 6.473 10.622 6.591 1.00 0.00 H new ATOM 0 HA LEU A 69 4.653 12.359 5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.881 9.349 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.731 10.258 4.278 1.00 0.00 H new ATOM 0 HG LEU A 69 5.783 11.388 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.830 10.039 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.457 10.669 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.127 8.964 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.037 9.535 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.229 8.445 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.335 9.810 2.054 1.00 0.00 H new ATOM 1142 N GLU A 70 2.877 12.306 6.837 1.00 0.00 N ATOM 1143 CA GLU A 70 1.694 12.348 7.627 1.00 0.00 C ATOM 1144 C GLU A 70 0.693 13.216 6.974 1.00 0.00 C ATOM 1145 O GLU A 70 0.968 14.380 6.673 1.00 0.00 O ATOM 1146 CB GLU A 70 1.929 12.814 9.068 1.00 0.00 C ATOM 1147 CG GLU A 70 2.136 11.673 10.034 1.00 0.00 C ATOM 1148 CD GLU A 70 0.980 10.688 9.976 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -0.044 10.889 10.649 1.00 0.00 O ATOM 1150 OE2 GLU A 70 1.085 9.691 9.234 1.00 0.00 O ATOM 0 H GLU A 70 3.073 13.186 6.361 1.00 0.00 H new ATOM 0 HA GLU A 70 1.329 11.323 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.801 13.467 9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.076 13.408 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.068 11.159 9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.234 12.064 11.047 1.00 0.00 H new ATOM 1157 N HIS A 71 -0.433 12.655 6.687 1.00 0.00 N ATOM 1158 CA HIS A 71 -1.510 13.417 6.154 1.00 0.00 C ATOM 1159 C HIS A 71 -2.169 14.119 7.295 1.00 0.00 C ATOM 1160 O HIS A 71 -2.465 13.497 8.317 1.00 0.00 O ATOM 1161 CB HIS A 71 -2.478 12.558 5.320 1.00 0.00 C ATOM 1162 CG HIS A 71 -1.882 12.169 3.993 1.00 0.00 C ATOM 1163 ND1 HIS A 71 -2.395 12.569 2.787 1.00 0.00 N ATOM 1164 CD2 HIS A 71 -0.762 11.466 3.697 1.00 0.00 C ATOM 1165 CE1 HIS A 71 -1.619 12.151 1.825 1.00 0.00 C ATOM 1166 NE2 HIS A 71 -0.624 11.477 2.342 1.00 0.00 N ATOM 0 H HIS A 71 -0.632 11.663 6.814 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.138 14.157 5.445 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.739 11.659 5.878 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.403 13.110 5.155 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -3.251 13.110 2.661 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.102 10.986 4.404 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.773 12.332 0.772 1.00 0.00 H new ATOM 1175 N HIS A 72 -2.369 15.404 7.138 1.00 0.00 N ATOM 1176 CA HIS A 72 -2.808 16.264 8.225 1.00 0.00 C ATOM 1177 C HIS A 72 -4.247 15.960 8.637 1.00 0.00 C ATOM 1178 O HIS A 72 -4.680 16.349 9.722 1.00 0.00 O ATOM 1179 CB HIS A 72 -2.626 17.733 7.833 1.00 0.00 C ATOM 1180 CG HIS A 72 -2.623 18.683 8.990 1.00 0.00 C ATOM 1181 ND1 HIS A 72 -3.235 19.907 8.964 1.00 0.00 N ATOM 1182 CD2 HIS A 72 -2.015 18.596 10.193 1.00 0.00 C ATOM 1183 CE1 HIS A 72 -3.005 20.533 10.095 1.00 0.00 C ATOM 1184 NE2 HIS A 72 -2.267 19.756 10.859 1.00 0.00 N ATOM 0 H HIS A 72 -2.233 15.891 6.252 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.188 16.063 9.098 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.687 17.838 7.289 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.425 18.016 7.148 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.436 17.761 10.559 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.361 21.519 10.355 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.938 19.986 11.797 1.00 0.00 H new ATOM 1193 N HIS A 73 -4.963 15.273 7.756 1.00 0.00 N ATOM 1194 CA HIS A 73 -6.313 14.788 8.002 1.00 0.00 C ATOM 1195 C HIS A 73 -7.298 15.929 8.127 1.00 0.00 C ATOM 1196 O HIS A 73 -7.723 16.307 9.231 1.00 0.00 O ATOM 1197 CB HIS A 73 -6.355 13.808 9.210 1.00 0.00 C ATOM 1198 CG HIS A 73 -7.704 13.222 9.557 1.00 0.00 C ATOM 1199 ND1 HIS A 73 -8.198 12.077 8.988 1.00 0.00 N ATOM 1200 CD2 HIS A 73 -8.634 13.615 10.461 1.00 0.00 C ATOM 1201 CE1 HIS A 73 -9.365 11.790 9.521 1.00 0.00 C ATOM 1202 NE2 HIS A 73 -9.654 12.708 10.418 1.00 0.00 N ATOM 0 H HIS A 73 -4.612 15.032 6.829 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.627 14.211 7.132 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.668 12.986 9.007 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.975 14.331 10.087 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -8.579 14.485 11.098 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.983 10.942 9.265 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -10.500 12.737 10.987 1.00 0.00 H new ATOM 1211 N HIS A 74 -7.580 16.536 7.004 1.00 0.00 N ATOM 1212 CA HIS A 74 -8.565 17.573 6.932 1.00 0.00 C ATOM 1213 C HIS A 74 -9.032 17.738 5.517 1.00 0.00 C ATOM 1214 O HIS A 74 -8.774 18.742 4.853 1.00 0.00 O ATOM 1215 CB HIS A 74 -8.081 18.888 7.531 1.00 0.00 C ATOM 1216 CG HIS A 74 -9.002 19.396 8.586 1.00 0.00 C ATOM 1217 ND1 HIS A 74 -8.973 18.943 9.886 1.00 0.00 N ATOM 1218 CD2 HIS A 74 -9.995 20.300 8.531 1.00 0.00 C ATOM 1219 CE1 HIS A 74 -9.910 19.549 10.579 1.00 0.00 C ATOM 1220 NE2 HIS A 74 -10.543 20.378 9.778 1.00 0.00 N ATOM 0 H HIS A 74 -7.130 16.322 6.114 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.414 17.269 7.544 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.087 18.748 7.955 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -7.989 19.633 6.741 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -8.325 18.246 10.253 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -10.302 20.861 7.661 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -10.124 19.393 11.626 1.00 0.00 H new ATOM 1229 N HIS A 75 -9.660 16.711 5.038 1.00 0.00 N ATOM 1230 CA HIS A 75 -10.193 16.692 3.716 1.00 0.00 C ATOM 1231 C HIS A 75 -11.557 16.072 3.800 1.00 0.00 C ATOM 1232 O HIS A 75 -11.683 14.872 4.017 1.00 0.00 O ATOM 1233 CB HIS A 75 -9.289 15.886 2.774 1.00 0.00 C ATOM 1234 CG HIS A 75 -9.667 15.976 1.320 1.00 0.00 C ATOM 1235 ND1 HIS A 75 -9.009 16.786 0.425 1.00 0.00 N ATOM 1236 CD2 HIS A 75 -10.620 15.332 0.605 1.00 0.00 C ATOM 1237 CE1 HIS A 75 -9.536 16.638 -0.771 1.00 0.00 C ATOM 1238 NE2 HIS A 75 -10.514 15.759 -0.689 1.00 0.00 N ATOM 0 H HIS A 75 -9.818 15.851 5.563 1.00 0.00 H new ATOM 0 HA HIS A 75 -10.252 17.703 3.312 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -8.262 16.232 2.892 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.310 14.839 3.078 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -11.331 14.614 0.986 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.221 17.150 -1.668 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -11.098 15.448 -1.465 1.00 0.00 H new ATOM 1247 N HIS A 76 -12.561 16.872 3.678 1.00 0.00 N ATOM 1248 CA HIS A 76 -13.900 16.393 3.815 1.00 0.00 C ATOM 1249 C HIS A 76 -14.504 16.228 2.434 1.00 0.00 C ATOM 1250 O HIS A 76 -15.224 17.120 1.979 1.00 0.00 O ATOM 1251 CB HIS A 76 -14.725 17.376 4.658 1.00 0.00 C ATOM 1252 CG HIS A 76 -16.055 16.851 5.085 1.00 0.00 C ATOM 1253 ND1 HIS A 76 -17.131 16.751 4.242 1.00 0.00 N ATOM 1254 CD2 HIS A 76 -16.473 16.383 6.279 1.00 0.00 C ATOM 1255 CE1 HIS A 76 -18.151 16.246 4.898 1.00 0.00 C ATOM 1256 NE2 HIS A 76 -17.777 16.015 6.135 1.00 0.00 N ATOM 1257 OXT HIS A 76 -14.235 15.213 1.781 1.00 0.00 O ATOM 0 H HIS A 76 -12.482 17.870 3.482 1.00 0.00 H new ATOM 0 HA HIS A 76 -13.902 15.429 4.324 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.152 17.646 5.545 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -14.875 18.291 4.085 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -17.139 17.026 3.260 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -15.884 16.313 7.181 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -19.132 16.053 4.489 1.00 0.00 H new TER 1266 HIS A 76