USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS NZ :NH3+ -176:sc= 0.9 (180deg=0.835) USER MOD Single : A 2 ASN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 6 SER OG : rot -170:sc= 0 USER MOD Single : A 8 MET CE :methyl 146:sc= -0.01 (180deg=-0.521) USER MOD Single : A -4 LYS NZ :NH3+ 170:sc=-0.00977 (180deg=-0.127) 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+ 157:sc= 1.39 (180deg=0.801) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0461 USER MOD Single : A 14 THR OG1 : rot 52:sc= 0.119 USER MOD Single : A 17 GLN : amide:sc= 1.15 K(o=1.1,f=-1) USER MOD Single : A 19 ASN : amide:sc= -0.0742 K(o=-0.074,f=-2!) USER MOD Single : A 20 SER OG : rot 62:sc= 1.25 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0099 USER MOD Single : A 22 ASN : amide:sc= -1.44 K(o=-1.4,f=-2!) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.012 (180deg=-0.2) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.095 USER MOD Single : A 32 SER OG : rot -105:sc= 0.189 USER MOD Single : A 42 HIS : no HD1:sc= -0.0382 X(o=-0.038,f=-0.04) USER MOD Single : A 49 MET CE :methyl -160:sc= -0.0774 (180deg=-0.544) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 164:sc= -0.0733 (180deg=-0.406) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -1.61! (180deg=-2.85!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= 1.22 (180deg=1.04) USER MOD Single : A 63 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.0035) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -22.236 35.966 -17.749 1.00 20.00 N ATOM 2 CA MET A -7 -23.278 36.603 -16.909 1.00 20.00 C ATOM 3 C MET A -7 -23.907 35.582 -15.968 1.00 20.00 C ATOM 4 O MET A -7 -25.076 35.221 -16.113 1.00 20.00 O ATOM 5 CB MET A -7 -24.369 37.241 -17.783 1.00 20.00 C ATOM 6 CG MET A -7 -23.917 38.475 -18.551 1.00 20.00 C ATOM 7 SD MET A -7 -22.701 38.102 -19.830 1.00 20.00 S ATOM 8 CE MET A -7 -22.406 39.738 -20.499 1.00 20.00 C ATOM 0 H1 MET A -7 -22.097 36.527 -18.614 1.00 20.00 H new ATOM 0 H2 MET A -7 -21.343 35.920 -17.219 1.00 20.00 H new ATOM 0 H3 MET A -7 -22.537 35.004 -18.005 1.00 20.00 H new ATOM 0 HA MET A -7 -22.799 37.384 -16.318 1.00 20.00 H new ATOM 0 HB2 MET A -7 -24.729 36.497 -18.494 1.00 20.00 H new ATOM 0 HB3 MET A -7 -25.213 37.511 -17.149 1.00 20.00 H new ATOM 0 HG2 MET A -7 -24.785 38.949 -19.010 1.00 20.00 H new ATOM 0 HG3 MET A -7 -23.492 39.196 -17.852 1.00 20.00 H new ATOM 0 HE1 MET A -7 -21.673 39.675 -21.303 1.00 20.00 H new ATOM 0 HE2 MET A -7 -23.339 40.145 -20.889 1.00 20.00 H new ATOM 0 HE3 MET A -7 -22.026 40.390 -19.712 1.00 20.00 H new ATOM 20 N ASP A -6 -23.127 35.115 -15.004 1.00 20.00 N ATOM 21 CA ASP A -6 -23.598 34.118 -14.049 1.00 20.00 C ATOM 22 C ASP A -6 -23.508 34.659 -12.631 1.00 20.00 C ATOM 23 O ASP A -6 -22.891 35.700 -12.393 1.00 20.00 O ATOM 24 CB ASP A -6 -22.785 32.827 -14.169 1.00 20.00 C ATOM 25 CG ASP A -6 -23.048 32.087 -15.464 1.00 20.00 C ATOM 26 OD1 ASP A -6 -22.427 32.427 -16.492 1.00 20.00 O ATOM 27 OD2 ASP A -6 -23.877 31.157 -15.461 1.00 20.00 O ATOM 0 H ASP A -6 -22.161 35.411 -14.861 1.00 20.00 H new ATOM 0 HA ASP A -6 -24.640 33.895 -14.277 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -21.723 33.064 -14.100 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -23.021 32.175 -13.328 1.00 20.00 H new ATOM 32 N TYR A -5 -24.125 33.953 -11.697 1.00 20.00 N ATOM 33 CA TYR A -5 -24.121 34.348 -10.295 1.00 20.00 C ATOM 34 C TYR A -5 -24.475 33.150 -9.430 1.00 20.00 C ATOM 35 O TYR A -5 -25.466 32.468 -9.700 1.00 20.00 O ATOM 36 CB TYR A -5 -25.121 35.488 -10.051 1.00 20.00 C ATOM 37 CG TYR A -5 -25.220 35.934 -8.606 1.00 20.00 C ATOM 38 CD1 TYR A -5 -24.333 36.866 -8.081 1.00 20.00 C ATOM 39 CD2 TYR A -5 -26.206 35.427 -7.767 1.00 20.00 C ATOM 40 CE1 TYR A -5 -24.425 37.278 -6.764 1.00 20.00 C ATOM 41 CE2 TYR A -5 -26.304 35.836 -6.452 1.00 20.00 C ATOM 42 CZ TYR A -5 -25.411 36.760 -5.956 1.00 20.00 C ATOM 43 OH TYR A -5 -25.509 37.172 -4.644 1.00 20.00 O ATOM 0 H TYR A -5 -24.641 33.094 -11.887 1.00 20.00 H new ATOM 0 HA TYR A -5 -23.125 34.704 -10.032 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -24.836 36.343 -10.664 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -26.107 35.169 -10.389 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -23.558 37.276 -8.712 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -26.907 34.701 -8.151 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -23.727 38.002 -6.372 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -27.078 35.433 -5.815 1.00 20.00 H new ATOM 0 HH TYR A -5 -26.258 36.712 -4.212 1.00 20.00 H new ATOM 53 N LYS A -4 -23.666 32.912 -8.399 1.00 20.00 N ATOM 54 CA LYS A -4 -23.858 31.783 -7.489 1.00 20.00 C ATOM 55 C LYS A -4 -23.638 30.458 -8.212 1.00 20.00 C ATOM 56 O LYS A -4 -24.482 30.010 -8.993 1.00 20.00 O ATOM 57 CB LYS A -4 -25.255 31.823 -6.856 1.00 20.00 C ATOM 58 CG LYS A -4 -25.549 30.640 -5.945 1.00 20.00 C ATOM 59 CD LYS A -4 -26.972 30.687 -5.416 1.00 20.00 C ATOM 60 CE LYS A -4 -27.300 29.462 -4.578 1.00 20.00 C ATOM 61 NZ LYS A -4 -26.416 29.343 -3.389 1.00 20.00 N ATOM 0 H LYS A -4 -22.861 33.495 -8.171 1.00 20.00 H new ATOM 0 HA LYS A -4 -23.118 31.865 -6.693 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -25.359 32.745 -6.284 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -26.002 31.854 -7.649 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -25.393 29.710 -6.492 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -24.849 30.639 -5.110 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -27.107 31.586 -4.815 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -27.669 30.754 -6.251 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -28.339 29.514 -4.253 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -27.203 28.567 -5.192 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -26.779 28.599 -2.760 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -25.453 29.098 -3.696 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -26.397 30.249 -2.878 1.00 20.00 H new ATOM 75 N ASP A -3 -22.494 29.841 -7.961 1.00 20.00 N ATOM 76 CA ASP A -3 -22.200 28.534 -8.525 1.00 20.00 C ATOM 77 C ASP A -3 -23.145 27.500 -7.919 1.00 20.00 C ATOM 78 O ASP A -3 -23.311 27.434 -6.699 1.00 20.00 O ATOM 79 CB ASP A -3 -20.732 28.147 -8.284 1.00 20.00 C ATOM 80 CG ASP A -3 -20.403 27.907 -6.822 1.00 20.00 C ATOM 81 OD1 ASP A -3 -20.325 28.891 -6.050 1.00 20.00 O ATOM 82 OD2 ASP A -3 -20.193 26.736 -6.441 1.00 20.00 O ATOM 0 H ASP A -3 -21.755 30.224 -7.371 1.00 20.00 H new ATOM 0 HA ASP A -3 -22.353 28.568 -9.604 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -20.504 27.245 -8.853 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -20.088 28.938 -8.668 1.00 20.00 H new ATOM 87 N ASP A -2 -23.793 26.724 -8.771 1.00 20.00 N ATOM 88 CA ASP A -2 -24.823 25.799 -8.316 1.00 20.00 C ATOM 89 C ASP A -2 -24.604 24.406 -8.883 1.00 20.00 C ATOM 90 O ASP A -2 -24.300 23.463 -8.150 1.00 20.00 O ATOM 91 CB ASP A -2 -26.211 26.312 -8.709 1.00 20.00 C ATOM 92 CG ASP A -2 -27.319 25.388 -8.250 1.00 20.00 C ATOM 93 OD1 ASP A -2 -27.663 25.417 -7.052 1.00 20.00 O ATOM 94 OD2 ASP A -2 -27.867 24.641 -9.087 1.00 20.00 O ATOM 0 H ASP A -2 -23.627 26.714 -9.777 1.00 20.00 H new ATOM 0 HA ASP A -2 -24.759 25.738 -7.230 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -26.365 27.301 -8.278 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -26.261 26.424 -9.792 1.00 20.00 H new ATOM 99 N ASP A -1 -24.754 24.283 -10.194 1.00 20.00 N ATOM 100 CA ASP A -1 -24.611 22.995 -10.851 1.00 20.00 C ATOM 101 C ASP A -1 -23.137 22.692 -11.078 1.00 20.00 C ATOM 102 O ASP A -1 -22.543 23.120 -12.070 1.00 20.00 O ATOM 103 CB ASP A -1 -25.368 22.974 -12.181 1.00 20.00 C ATOM 104 CG ASP A -1 -25.636 21.565 -12.671 1.00 20.00 C ATOM 105 OD1 ASP A -1 -24.671 20.800 -12.866 1.00 20.00 O ATOM 106 OD2 ASP A -1 -26.822 21.210 -12.845 1.00 20.00 O ATOM 0 H ASP A -1 -24.974 25.057 -10.821 1.00 20.00 H new ATOM 0 HA ASP A -1 -25.039 22.227 -10.206 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -26.315 23.502 -12.066 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -24.792 23.514 -12.933 1.00 20.00 H new ATOM 111 N ASP A 0 -22.554 21.954 -10.146 1.00 20.00 N ATOM 112 CA ASP A 0 -21.128 21.653 -10.174 1.00 20.00 C ATOM 113 C ASP A 0 -20.835 20.525 -11.150 1.00 20.00 C ATOM 114 O ASP A 0 -19.679 20.252 -11.477 1.00 20.00 O ATOM 115 CB ASP A 0 -20.638 21.262 -8.776 1.00 20.00 C ATOM 116 CG ASP A 0 -21.095 19.877 -8.368 1.00 20.00 C ATOM 117 OD1 ASP A 0 -22.294 19.707 -8.053 1.00 20.00 O ATOM 118 OD2 ASP A 0 -20.261 18.947 -8.360 1.00 20.00 O ATOM 0 H ASP A 0 -23.051 21.548 -9.353 1.00 20.00 H new ATOM 0 HA ASP A 0 -20.601 22.549 -10.502 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -19.549 21.304 -8.751 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -21.002 21.990 -8.050 1.00 20.00 H new ATOM 123 N LYS A 1 -21.890 19.874 -11.616 1.00 20.00 N ATOM 124 CA LYS A 1 -21.749 18.764 -12.542 1.00 20.00 C ATOM 125 C LYS A 1 -21.796 19.266 -13.978 1.00 20.00 C ATOM 126 O LYS A 1 -21.377 18.569 -14.903 1.00 20.00 O ATOM 127 CB LYS A 1 -22.841 17.719 -12.297 1.00 20.00 C ATOM 128 CG LYS A 1 -22.806 17.108 -10.902 1.00 20.00 C ATOM 129 CD LYS A 1 -21.474 16.426 -10.620 1.00 20.00 C ATOM 130 CE LYS A 1 -21.453 15.776 -9.243 1.00 20.00 C ATOM 131 NZ LYS A 1 -21.702 16.757 -8.157 1.00 20.00 N ATOM 0 H LYS A 1 -22.854 20.097 -11.367 1.00 20.00 H new ATOM 0 HA LYS A 1 -20.782 18.291 -12.374 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -23.815 18.181 -12.457 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -22.741 16.923 -13.035 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -22.981 17.886 -10.159 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -23.614 16.384 -10.801 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -21.284 15.670 -11.382 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -20.669 17.158 -10.689 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -22.208 14.991 -9.202 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -20.487 15.297 -9.084 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -21.612 16.285 -7.235 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -21.008 17.529 -8.220 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -22.662 17.146 -8.254 1.00 20.00 H new ATOM 145 N ASN A 2 -22.304 20.486 -14.141 1.00 20.00 N ATOM 146 CA ASN A 2 -22.350 21.177 -15.429 1.00 20.00 C ATOM 147 C ASN A 2 -23.338 20.509 -16.381 1.00 20.00 C ATOM 148 O ASN A 2 -24.471 20.972 -16.539 1.00 20.00 O ATOM 149 CB ASN A 2 -20.956 21.264 -16.070 1.00 20.00 C ATOM 150 CG ASN A 2 -19.947 21.964 -15.176 1.00 20.00 C ATOM 151 OD1 ASN A 2 -19.820 23.188 -15.198 1.00 20.00 O ATOM 152 ND2 ASN A 2 -19.211 21.193 -14.389 1.00 20.00 N ATOM 0 H ASN A 2 -22.700 21.029 -13.374 1.00 20.00 H new ATOM 0 HA ASN A 2 -22.696 22.193 -15.238 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -20.600 20.259 -16.296 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -21.028 21.797 -17.018 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -18.512 21.611 -13.775 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -19.344 20.182 -14.397 1.00 20.00 H new ATOM 159 N ARG A 3 -22.921 19.416 -16.997 1.00 20.00 N ATOM 160 CA ARG A 3 -23.779 18.689 -17.914 1.00 20.00 C ATOM 161 C ARG A 3 -23.680 17.188 -17.650 1.00 20.00 C ATOM 162 O ARG A 3 -23.074 16.446 -18.429 1.00 20.00 O ATOM 163 CB ARG A 3 -23.399 18.999 -19.365 1.00 20.00 C ATOM 164 CG ARG A 3 -24.433 18.538 -20.379 1.00 20.00 C ATOM 165 CD ARG A 3 -23.936 18.709 -21.802 1.00 20.00 C ATOM 166 NE ARG A 3 -24.961 18.352 -22.778 1.00 20.00 N ATOM 167 CZ ARG A 3 -24.703 17.936 -24.016 1.00 20.00 C ATOM 168 NH1 ARG A 3 -23.450 17.819 -24.440 1.00 20.00 N ATOM 169 NH2 ARG A 3 -25.703 17.642 -24.835 1.00 20.00 N ATOM 0 H ARG A 3 -21.992 19.013 -16.878 1.00 20.00 H new ATOM 0 HA ARG A 3 -24.809 19.007 -17.752 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -23.253 20.074 -19.471 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -22.444 18.524 -19.591 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -24.675 17.490 -20.201 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -25.354 19.106 -20.244 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -23.629 19.743 -21.958 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -23.054 18.088 -21.957 1.00 20.00 H new ATOM 0 HE ARG A 3 -25.938 18.426 -22.493 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -22.677 18.049 -23.816 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -23.261 17.500 -25.390 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -26.667 17.735 -24.516 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -25.508 17.323 -25.784 1.00 20.00 H new ATOM 183 N ALA A 4 -24.267 16.761 -16.533 1.00 20.00 N ATOM 184 CA ALA A 4 -24.303 15.352 -16.145 1.00 20.00 C ATOM 185 C ALA A 4 -22.897 14.763 -16.058 1.00 20.00 C ATOM 186 O ALA A 4 -22.550 13.833 -16.791 1.00 20.00 O ATOM 187 CB ALA A 4 -25.164 14.554 -17.113 1.00 20.00 C ATOM 0 H ALA A 4 -24.731 17.383 -15.871 1.00 20.00 H new ATOM 0 HA ALA A 4 -24.749 15.289 -15.152 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -25.179 13.507 -16.809 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -26.180 14.949 -17.107 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -24.750 14.633 -18.118 1.00 20.00 H new ATOM 193 N LEU A 5 -22.090 15.316 -15.165 1.00 20.00 N ATOM 194 CA LEU A 5 -20.719 14.860 -14.993 1.00 20.00 C ATOM 195 C LEU A 5 -20.698 13.532 -14.241 1.00 20.00 C ATOM 196 O LEU A 5 -19.897 12.645 -14.549 1.00 20.00 O ATOM 197 CB LEU A 5 -19.902 15.937 -14.248 1.00 20.00 C ATOM 198 CG LEU A 5 -18.369 15.786 -14.246 1.00 20.00 C ATOM 199 CD1 LEU A 5 -17.909 14.718 -13.266 1.00 20.00 C ATOM 200 CD2 LEU A 5 -17.850 15.481 -15.644 1.00 20.00 C ATOM 0 H LEU A 5 -22.361 16.082 -14.548 1.00 20.00 H new ATOM 0 HA LEU A 5 -20.264 14.699 -15.970 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -20.145 16.906 -14.684 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -20.240 15.960 -13.212 1.00 20.00 H new ATOM 0 HG LEU A 5 -17.952 16.739 -13.920 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -16.822 14.642 -13.294 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -18.228 14.987 -12.259 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -18.347 13.759 -13.541 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -16.765 15.379 -15.615 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -18.292 14.551 -16.002 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -18.120 16.294 -16.318 1.00 20.00 H new ATOM 212 N SER A 6 -21.601 13.382 -13.283 1.00 20.00 N ATOM 213 CA SER A 6 -21.608 12.212 -12.425 1.00 20.00 C ATOM 214 C SER A 6 -22.995 11.576 -12.372 1.00 20.00 C ATOM 215 O SER A 6 -23.876 12.051 -11.653 1.00 20.00 O ATOM 216 CB SER A 6 -21.167 12.604 -11.015 1.00 20.00 C ATOM 217 OG SER A 6 -20.000 13.406 -11.053 1.00 20.00 O ATOM 0 H SER A 6 -22.338 14.058 -13.082 1.00 20.00 H new ATOM 0 HA SER A 6 -20.913 11.481 -12.839 1.00 20.00 H new ATOM 0 HB2 SER A 6 -21.970 13.147 -10.517 1.00 20.00 H new ATOM 0 HB3 SER A 6 -20.977 11.706 -10.427 1.00 20.00 H new ATOM 0 HG SER A 6 -19.647 13.513 -10.145 1.00 20.00 H new ATOM 223 N PRO A 7 -23.205 10.501 -13.150 1.00 20.00 N ATOM 224 CA PRO A 7 -24.452 9.728 -13.117 1.00 20.00 C ATOM 225 C PRO A 7 -24.747 9.207 -11.712 1.00 20.00 C ATOM 226 O PRO A 7 -25.864 9.355 -11.216 1.00 20.00 O ATOM 227 CB PRO A 7 -24.175 8.561 -14.076 1.00 20.00 C ATOM 228 CG PRO A 7 -23.097 9.054 -14.976 1.00 20.00 C ATOM 229 CD PRO A 7 -22.249 9.966 -14.136 1.00 20.00 C ATOM 0 HA PRO A 7 -25.320 10.324 -13.400 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -23.860 7.670 -13.533 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -25.068 8.292 -14.640 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -22.508 8.226 -15.371 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -23.514 9.585 -15.831 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -21.433 9.427 -13.654 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -21.799 10.760 -14.732 1.00 20.00 H new ATOM 237 N MET A 8 -23.735 8.599 -11.087 1.00 20.00 N ATOM 238 CA MET A 8 -23.812 8.141 -9.696 1.00 20.00 C ATOM 239 C MET A 8 -24.726 6.929 -9.531 1.00 20.00 C ATOM 240 O MET A 8 -25.721 6.768 -10.242 1.00 20.00 O ATOM 241 CB MET A 8 -24.271 9.269 -8.766 1.00 20.00 C ATOM 242 CG MET A 8 -23.229 10.356 -8.560 1.00 20.00 C ATOM 243 SD MET A 8 -23.827 11.690 -7.508 1.00 20.00 S ATOM 244 CE MET A 8 -22.346 12.684 -7.358 1.00 20.00 C ATOM 0 H MET A 8 -22.837 8.410 -11.532 1.00 20.00 H new ATOM 0 HA MET A 8 -22.803 7.837 -9.417 1.00 20.00 H new ATOM 0 HB2 MET A 8 -25.176 9.719 -9.175 1.00 20.00 H new ATOM 0 HB3 MET A 8 -24.536 8.844 -7.798 1.00 20.00 H new ATOM 0 HG2 MET A 8 -22.335 9.919 -8.115 1.00 20.00 H new ATOM 0 HG3 MET A 8 -22.937 10.763 -9.528 1.00 20.00 H new ATOM 0 HE1 MET A 8 -22.619 13.738 -7.301 1.00 20.00 H new ATOM 0 HE2 MET A 8 -21.807 12.399 -6.455 1.00 20.00 H new ATOM 0 HE3 MET A 8 -21.709 12.521 -8.227 1.00 20.00 H new ATOM 254 N VAL A 9 -24.373 6.074 -8.585 1.00 20.00 N ATOM 255 CA VAL A 9 -25.172 4.901 -8.277 1.00 20.00 C ATOM 256 C VAL A 9 -25.977 5.152 -7.009 1.00 20.00 C ATOM 257 O VAL A 9 -25.736 4.544 -5.966 1.00 20.00 O ATOM 258 CB VAL A 9 -24.300 3.638 -8.096 1.00 20.00 C ATOM 259 CG1 VAL A 9 -25.165 2.387 -8.015 1.00 20.00 C ATOM 260 CG2 VAL A 9 -23.287 3.515 -9.225 1.00 20.00 C ATOM 0 H VAL A 9 -23.533 6.172 -8.015 1.00 20.00 H new ATOM 0 HA VAL A 9 -25.841 4.724 -9.119 1.00 20.00 H new ATOM 0 HB VAL A 9 -23.756 3.737 -7.157 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -24.528 1.512 -7.888 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -25.844 2.468 -7.166 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -25.743 2.284 -8.933 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -22.684 2.619 -9.077 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -23.811 3.446 -10.178 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -22.639 4.391 -9.230 1.00 20.00 H new ATOM 270 N SER A 10 -26.935 6.060 -7.109 1.00 20.00 N ATOM 271 CA SER A 10 -27.759 6.452 -5.973 1.00 20.00 C ATOM 272 C SER A 10 -28.853 5.420 -5.702 1.00 20.00 C ATOM 273 O SER A 10 -30.014 5.761 -5.483 1.00 20.00 O ATOM 274 CB SER A 10 -28.369 7.828 -6.242 1.00 20.00 C ATOM 275 OG SER A 10 -28.870 7.900 -7.568 1.00 20.00 O ATOM 0 H SER A 10 -27.164 6.545 -7.976 1.00 20.00 H new ATOM 0 HA SER A 10 -27.131 6.503 -5.083 1.00 20.00 H new ATOM 0 HB2 SER A 10 -29.174 8.021 -5.532 1.00 20.00 H new ATOM 0 HB3 SER A 10 -27.617 8.602 -6.089 1.00 20.00 H new ATOM 0 HG SER A 10 -29.258 8.786 -7.723 1.00 20.00 H new ATOM 281 N GLU A 11 -28.464 4.157 -5.712 1.00 20.00 N ATOM 282 CA GLU A 11 -29.404 3.063 -5.546 1.00 20.00 C ATOM 283 C GLU A 11 -29.283 2.463 -4.153 1.00 20.00 C ATOM 284 O GLU A 11 -30.084 1.613 -3.756 1.00 20.00 O ATOM 285 CB GLU A 11 -29.144 1.993 -6.604 1.00 20.00 C ATOM 286 CG GLU A 11 -29.188 2.522 -8.028 1.00 20.00 C ATOM 287 CD GLU A 11 -30.516 3.168 -8.376 1.00 20.00 C ATOM 288 OE1 GLU A 11 -31.509 2.434 -8.553 1.00 20.00 O ATOM 289 OE2 GLU A 11 -30.570 4.410 -8.490 1.00 20.00 O ATOM 0 H GLU A 11 -27.495 3.863 -5.834 1.00 20.00 H new ATOM 0 HA GLU A 11 -30.416 3.448 -5.668 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -28.168 1.544 -6.422 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -29.884 1.200 -6.497 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -28.388 3.250 -8.165 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -28.995 1.703 -8.721 1.00 20.00 H new ATOM 296 N PHE A 12 -28.279 2.915 -3.414 1.00 20.00 N ATOM 297 CA PHE A 12 -28.044 2.437 -2.059 1.00 20.00 C ATOM 298 C PHE A 12 -28.989 3.123 -1.077 1.00 20.00 C ATOM 299 O PHE A 12 -28.582 3.971 -0.284 1.00 20.00 O ATOM 300 CB PHE A 12 -26.589 2.673 -1.652 1.00 20.00 C ATOM 301 CG PHE A 12 -25.600 1.860 -2.443 1.00 20.00 C ATOM 302 CD1 PHE A 12 -25.312 0.552 -2.077 1.00 20.00 C ATOM 303 CD2 PHE A 12 -24.956 2.399 -3.547 1.00 20.00 C ATOM 304 CE1 PHE A 12 -24.405 -0.200 -2.798 1.00 20.00 C ATOM 305 CE2 PHE A 12 -24.048 1.650 -4.271 1.00 20.00 C ATOM 306 CZ PHE A 12 -23.772 0.349 -3.897 1.00 20.00 C ATOM 0 H PHE A 12 -27.611 3.616 -3.733 1.00 20.00 H new ATOM 0 HA PHE A 12 -28.240 1.365 -2.035 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -26.355 3.731 -1.772 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -26.474 2.439 -0.594 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -25.803 0.118 -1.219 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -25.167 3.416 -3.844 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -24.191 -1.217 -2.503 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -23.554 2.082 -5.129 1.00 20.00 H new ATOM 0 HZ PHE A 12 -23.063 -0.238 -4.462 1.00 20.00 H new ATOM 316 N GLU A 13 -30.253 2.742 -1.152 1.00 20.00 N ATOM 317 CA GLU A 13 -31.296 3.297 -0.297 1.00 20.00 C ATOM 318 C GLU A 13 -31.103 2.841 1.151 1.00 20.00 C ATOM 319 O GLU A 13 -30.389 1.869 1.410 1.00 20.00 O ATOM 320 CB GLU A 13 -32.660 2.839 -0.809 1.00 20.00 C ATOM 321 CG GLU A 13 -32.899 3.159 -2.277 1.00 20.00 C ATOM 322 CD GLU A 13 -34.175 2.540 -2.805 1.00 20.00 C ATOM 323 OE1 GLU A 13 -34.177 1.329 -3.097 1.00 20.00 O ATOM 324 OE2 GLU A 13 -35.189 3.260 -2.922 1.00 20.00 O ATOM 0 H GLU A 13 -30.589 2.037 -1.808 1.00 20.00 H new ATOM 0 HA GLU A 13 -31.238 4.385 -0.324 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -32.752 1.763 -0.661 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -33.440 3.311 -0.211 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -32.943 4.240 -2.407 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -32.055 2.801 -2.866 1.00 20.00 H new ATOM 331 N THR A 14 -31.763 3.529 2.087 1.00 20.00 N ATOM 332 CA THR A 14 -31.640 3.231 3.516 1.00 20.00 C ATOM 333 C THR A 14 -32.407 1.972 3.920 1.00 20.00 C ATOM 334 O THR A 14 -33.037 1.917 4.976 1.00 20.00 O ATOM 335 CB THR A 14 -32.125 4.420 4.361 1.00 20.00 C ATOM 336 OG1 THR A 14 -33.053 5.207 3.597 1.00 20.00 O ATOM 337 CG2 THR A 14 -30.957 5.282 4.812 1.00 20.00 C ATOM 0 H THR A 14 -32.393 4.303 1.877 1.00 20.00 H new ATOM 0 HA THR A 14 -30.582 3.051 3.706 1.00 20.00 H new ATOM 0 HB THR A 14 -32.622 4.033 5.251 1.00 20.00 H new ATOM 0 HG1 THR A 14 -33.754 4.626 3.235 1.00 20.00 H new ATOM 0 HG21 THR A 14 -31.329 6.116 5.408 1.00 20.00 H new ATOM 0 HG22 THR A 14 -30.273 4.683 5.413 1.00 20.00 H new ATOM 0 HG23 THR A 14 -30.430 5.667 3.939 1.00 20.00 H new ATOM 345 N ILE A 15 -32.340 0.978 3.058 1.00 20.00 N ATOM 346 CA ILE A 15 -32.886 -0.344 3.308 1.00 20.00 C ATOM 347 C ILE A 15 -31.971 -1.349 2.629 1.00 20.00 C ATOM 348 O ILE A 15 -31.583 -2.367 3.203 1.00 20.00 O ATOM 349 CB ILE A 15 -34.321 -0.504 2.747 1.00 20.00 C ATOM 350 CG1 ILE A 15 -35.283 0.490 3.407 1.00 20.00 C ATOM 351 CG2 ILE A 15 -34.811 -1.930 2.951 1.00 20.00 C ATOM 352 CD1 ILE A 15 -36.674 0.482 2.812 1.00 20.00 C ATOM 0 H ILE A 15 -31.895 1.067 2.144 1.00 20.00 H new ATOM 0 HA ILE A 15 -32.943 -0.504 4.385 1.00 20.00 H new ATOM 0 HB ILE A 15 -34.294 -0.290 1.678 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -35.352 0.263 4.471 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -34.868 1.494 3.322 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -35.821 -2.028 2.552 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -34.147 -2.621 2.432 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -34.817 -2.164 4.016 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -37.296 1.211 3.331 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -36.619 0.740 1.754 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -37.111 -0.511 2.921 1.00 20.00 H new ATOM 364 N GLU A 16 -31.601 -1.005 1.401 1.00 20.00 N ATOM 365 CA GLU A 16 -30.710 -1.817 0.595 1.00 20.00 C ATOM 366 C GLU A 16 -29.323 -1.907 1.220 1.00 20.00 C ATOM 367 O GLU A 16 -28.707 -2.969 1.204 1.00 20.00 O ATOM 368 CB GLU A 16 -30.609 -1.238 -0.818 1.00 20.00 C ATOM 369 CG GLU A 16 -31.900 -1.354 -1.613 1.00 20.00 C ATOM 370 CD GLU A 16 -32.273 -2.793 -1.900 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.827 -3.327 -2.938 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.012 -3.398 -1.093 1.00 20.00 O ATOM 0 H GLU A 16 -31.914 -0.151 0.939 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.124 -2.824 0.546 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.325 -0.188 -0.753 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -29.812 -1.751 -1.357 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.708 -0.875 -1.060 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.794 -0.814 -2.554 1.00 20.00 H new ATOM 379 N GLN A 17 -28.844 -0.799 1.791 1.00 20.00 N ATOM 380 CA GLN A 17 -27.503 -0.761 2.376 1.00 20.00 C ATOM 381 C GLN A 17 -27.339 -1.823 3.460 1.00 20.00 C ATOM 382 O GLN A 17 -26.322 -2.518 3.511 1.00 20.00 O ATOM 383 CB GLN A 17 -27.188 0.620 2.962 1.00 20.00 C ATOM 384 CG GLN A 17 -27.031 1.722 1.927 1.00 20.00 C ATOM 385 CD GLN A 17 -26.584 3.036 2.544 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.886 3.051 3.560 1.00 20.00 O ATOM 387 NE2 GLN A 17 -26.969 4.150 1.937 1.00 20.00 N ATOM 0 H GLN A 17 -29.361 0.077 1.860 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.800 -0.970 1.569 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -27.984 0.898 3.653 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.269 0.553 3.545 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.305 1.411 1.176 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -27.980 1.870 1.411 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -27.547 4.100 1.098 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -26.688 5.057 2.309 1.00 20.00 H new ATOM 396 N GLU A 18 -28.345 -1.954 4.314 1.00 20.00 N ATOM 397 CA GLU A 18 -28.309 -2.937 5.390 1.00 20.00 C ATOM 398 C GLU A 18 -28.338 -4.351 4.817 1.00 20.00 C ATOM 399 O GLU A 18 -27.595 -5.236 5.253 1.00 20.00 O ATOM 400 CB GLU A 18 -29.495 -2.730 6.340 1.00 20.00 C ATOM 401 CG GLU A 18 -29.502 -3.678 7.528 1.00 20.00 C ATOM 402 CD GLU A 18 -30.798 -3.625 8.303 1.00 20.00 C ATOM 403 OE1 GLU A 18 -31.725 -4.393 7.968 1.00 20.00 O ATOM 404 OE2 GLU A 18 -30.897 -2.822 9.252 1.00 20.00 O ATOM 0 H GLU A 18 -29.196 -1.393 4.283 1.00 20.00 H new ATOM 0 HA GLU A 18 -27.383 -2.804 5.950 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -29.480 -1.703 6.706 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -30.422 -2.856 5.781 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -29.334 -4.696 7.177 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -28.675 -3.429 8.192 1.00 20.00 H new ATOM 411 N ASN A 19 -29.182 -4.549 3.817 1.00 20.00 N ATOM 412 CA ASN A 19 -29.328 -5.850 3.175 1.00 20.00 C ATOM 413 C ASN A 19 -28.061 -6.229 2.417 1.00 20.00 C ATOM 414 O ASN A 19 -27.765 -7.412 2.242 1.00 20.00 O ATOM 415 CB ASN A 19 -30.519 -5.841 2.214 1.00 20.00 C ATOM 416 CG ASN A 19 -31.857 -5.737 2.923 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.948 -5.235 4.044 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.910 -6.192 2.267 1.00 20.00 N ATOM 0 H ASN A 19 -29.781 -3.821 3.429 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.503 -6.590 3.956 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.415 -5.004 1.524 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.502 -6.752 1.615 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.837 -6.134 2.688 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.795 -6.601 1.340 1.00 20.00 H new ATOM 425 N SER A 20 -27.306 -5.215 1.997 1.00 20.00 N ATOM 426 CA SER A 20 -26.113 -5.422 1.182 1.00 20.00 C ATOM 427 C SER A 20 -25.067 -6.254 1.909 1.00 20.00 C ATOM 428 O SER A 20 -24.285 -6.954 1.277 1.00 20.00 O ATOM 429 CB SER A 20 -25.504 -4.081 0.761 1.00 20.00 C ATOM 430 OG SER A 20 -26.424 -3.319 -0.001 1.00 20.00 O ATOM 0 H SER A 20 -27.502 -4.237 2.210 1.00 20.00 H new ATOM 0 HA SER A 20 -26.425 -5.971 0.294 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.207 -3.519 1.647 1.00 20.00 H new ATOM 0 HB3 SER A 20 -24.600 -4.256 0.177 1.00 20.00 H new ATOM 0 HG SER A 20 -27.210 -3.113 0.546 1.00 20.00 H new ATOM 436 N TYR A 21 -25.027 -6.170 3.232 1.00 20.00 N ATOM 437 CA TYR A 21 -24.087 -6.981 3.987 1.00 20.00 C ATOM 438 C TYR A 21 -24.791 -8.144 4.678 1.00 20.00 C ATOM 439 O TYR A 21 -24.221 -9.224 4.810 1.00 20.00 O ATOM 440 CB TYR A 21 -23.287 -6.138 4.992 1.00 20.00 C ATOM 441 CG TYR A 21 -24.104 -5.455 6.069 1.00 20.00 C ATOM 442 CD1 TYR A 21 -24.424 -6.116 7.250 1.00 20.00 C ATOM 443 CD2 TYR A 21 -24.532 -4.146 5.915 1.00 20.00 C ATOM 444 CE1 TYR A 21 -25.153 -5.490 8.240 1.00 20.00 C ATOM 445 CE2 TYR A 21 -25.259 -3.512 6.904 1.00 20.00 C ATOM 446 CZ TYR A 21 -25.567 -4.190 8.063 1.00 20.00 C ATOM 447 OH TYR A 21 -26.292 -3.565 9.051 1.00 20.00 O ATOM 0 H TYR A 21 -25.622 -5.561 3.794 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.375 -7.398 3.275 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -22.550 -6.781 5.473 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.735 -5.376 4.442 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -24.097 -7.135 7.394 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.293 -3.613 5.007 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -25.398 -6.018 9.150 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -25.584 -2.491 6.769 1.00 20.00 H new ATOM 0 HH TYR A 21 -26.506 -2.650 8.771 1.00 20.00 H new ATOM 457 N ASN A 22 -26.034 -7.932 5.102 1.00 20.00 N ATOM 458 CA ASN A 22 -26.777 -8.975 5.804 1.00 20.00 C ATOM 459 C ASN A 22 -27.082 -10.158 4.895 1.00 20.00 C ATOM 460 O ASN A 22 -26.614 -11.266 5.149 1.00 20.00 O ATOM 461 CB ASN A 22 -28.073 -8.430 6.415 1.00 20.00 C ATOM 462 CG ASN A 22 -27.845 -7.775 7.763 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.928 -8.142 8.495 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.682 -6.815 8.111 1.00 20.00 N ATOM 0 H ASN A 22 -26.544 -7.058 4.974 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.137 -9.324 6.614 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.517 -7.705 5.732 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.790 -9.244 6.526 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.579 -6.351 9.014 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.431 -6.537 7.477 1.00 20.00 H new ATOM 471 N GLU A 23 -27.835 -9.923 3.824 1.00 20.00 N ATOM 472 CA GLU A 23 -28.243 -11.001 2.928 1.00 20.00 C ATOM 473 C GLU A 23 -27.053 -11.563 2.168 1.00 20.00 C ATOM 474 O GLU A 23 -26.991 -12.762 1.900 1.00 20.00 O ATOM 475 CB GLU A 23 -29.319 -10.522 1.952 1.00 20.00 C ATOM 476 CG GLU A 23 -30.710 -10.470 2.565 1.00 20.00 C ATOM 477 CD GLU A 23 -31.277 -11.852 2.846 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.668 -12.609 3.630 1.00 20.00 O ATOM 479 OE2 GLU A 23 -32.336 -12.191 2.282 1.00 20.00 O ATOM 0 H GLU A 23 -28.174 -8.999 3.556 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.663 -11.798 3.541 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.053 -9.530 1.588 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.336 -11.185 1.087 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.673 -9.901 3.494 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -31.380 -9.936 1.891 1.00 20.00 H new ATOM 486 N TRP A 24 -26.106 -10.693 1.842 1.00 20.00 N ATOM 487 CA TRP A 24 -24.900 -11.100 1.131 1.00 20.00 C ATOM 488 C TRP A 24 -24.122 -12.119 1.958 1.00 20.00 C ATOM 489 O TRP A 24 -23.871 -13.237 1.511 1.00 20.00 O ATOM 490 CB TRP A 24 -24.020 -9.881 0.850 1.00 20.00 C ATOM 491 CG TRP A 24 -23.039 -10.076 -0.265 1.00 20.00 C ATOM 492 CD1 TRP A 24 -22.006 -10.969 -0.314 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.995 -9.344 -1.493 1.00 20.00 C ATOM 494 NE1 TRP A 24 -21.330 -10.841 -1.502 1.00 20.00 N ATOM 495 CE2 TRP A 24 -21.918 -9.850 -2.243 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.765 -8.310 -2.034 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -21.594 -9.356 -3.503 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -23.442 -7.822 -3.285 1.00 20.00 C ATOM 499 CH2 TRP A 24 -22.364 -8.345 -4.008 1.00 20.00 C ATOM 0 H TRP A 24 -26.150 -9.697 2.059 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.189 -11.557 0.184 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.660 -9.032 0.611 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.475 -9.624 1.758 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.758 -11.672 0.467 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -20.521 -11.394 -1.787 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.598 -7.900 -1.483 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -20.762 -9.758 -4.063 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -24.031 -7.024 -3.712 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.136 -7.942 -4.984 1.00 20.00 H new ATOM 510 N LEU A 25 -23.772 -11.728 3.177 1.00 20.00 N ATOM 511 CA LEU A 25 -23.008 -12.588 4.070 1.00 20.00 C ATOM 512 C LEU A 25 -23.814 -13.832 4.426 1.00 20.00 C ATOM 513 O LEU A 25 -23.294 -14.946 4.411 1.00 20.00 O ATOM 514 CB LEU A 25 -22.620 -11.816 5.338 1.00 20.00 C ATOM 515 CG LEU A 25 -21.783 -12.590 6.363 1.00 20.00 C ATOM 516 CD1 LEU A 25 -20.469 -13.051 5.754 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.524 -11.730 7.590 1.00 20.00 C ATOM 0 H LEU A 25 -24.007 -10.817 3.571 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.097 -12.904 3.562 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.065 -10.926 5.042 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.533 -11.475 5.826 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.346 -13.473 6.665 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -19.894 -13.598 6.501 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -20.671 -13.702 4.904 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -19.899 -12.184 5.420 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -20.929 -12.292 8.309 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -20.983 -10.830 7.296 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -22.474 -11.450 8.045 1.00 20.00 H new ATOM 529 N ARG A 26 -25.097 -13.632 4.705 1.00 20.00 N ATOM 530 CA ARG A 26 -25.985 -14.720 5.096 1.00 20.00 C ATOM 531 C ARG A 26 -26.081 -15.772 3.994 1.00 20.00 C ATOM 532 O ARG A 26 -26.197 -16.960 4.277 1.00 20.00 O ATOM 533 CB ARG A 26 -27.375 -14.168 5.424 1.00 20.00 C ATOM 534 CG ARG A 26 -28.381 -15.220 5.860 1.00 20.00 C ATOM 535 CD ARG A 26 -29.739 -14.596 6.150 1.00 20.00 C ATOM 536 NE ARG A 26 -29.690 -13.668 7.283 1.00 20.00 N ATOM 537 CZ ARG A 26 -30.284 -12.473 7.299 1.00 20.00 C ATOM 538 NH1 ARG A 26 -30.885 -12.008 6.212 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.245 -11.725 8.395 1.00 20.00 N ATOM 0 H ARG A 26 -25.548 -12.718 4.667 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.571 -15.198 5.984 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.280 -13.424 6.215 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.764 -13.652 4.546 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.484 -15.974 5.080 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.015 -15.730 6.751 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.091 -14.067 5.264 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.462 -15.384 6.359 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.169 -13.953 8.112 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -30.895 -12.565 5.357 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -31.337 -11.094 6.231 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -29.761 -12.063 9.226 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -30.699 -10.812 8.406 1.00 20.00 H new ATOM 553 N ALA A 27 -26.008 -15.330 2.746 1.00 20.00 N ATOM 554 CA ALA A 27 -26.096 -16.233 1.607 1.00 20.00 C ATOM 555 C ALA A 27 -24.926 -17.206 1.580 1.00 20.00 C ATOM 556 O ALA A 27 -25.100 -18.393 1.309 1.00 20.00 O ATOM 557 CB ALA A 27 -26.155 -15.448 0.311 1.00 20.00 C ATOM 0 H ALA A 27 -25.888 -14.348 2.496 1.00 20.00 H new ATOM 0 HA ALA A 27 -27.014 -16.812 1.712 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -26.220 -16.138 -0.530 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -27.031 -14.800 0.318 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -25.255 -14.840 0.212 1.00 20.00 H new ATOM 563 N LYS A 28 -23.735 -16.707 1.867 1.00 20.00 N ATOM 564 CA LYS A 28 -22.548 -17.551 1.864 1.00 20.00 C ATOM 565 C LYS A 28 -22.475 -18.384 3.138 1.00 20.00 C ATOM 566 O LYS A 28 -21.994 -19.517 3.118 1.00 20.00 O ATOM 567 CB LYS A 28 -21.266 -16.723 1.701 1.00 20.00 C ATOM 568 CG LYS A 28 -21.025 -16.204 0.285 1.00 20.00 C ATOM 569 CD LYS A 28 -21.968 -15.066 -0.077 1.00 20.00 C ATOM 570 CE LYS A 28 -21.778 -14.605 -1.517 1.00 20.00 C ATOM 571 NZ LYS A 28 -22.137 -15.666 -2.494 1.00 20.00 N ATOM 0 H LYS A 28 -23.563 -15.730 2.103 1.00 20.00 H new ATOM 0 HA LYS A 28 -22.628 -18.221 1.008 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.307 -15.874 2.384 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.414 -17.333 2.001 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.994 -15.862 0.196 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.153 -17.020 -0.426 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -22.999 -15.389 0.067 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -21.800 -14.227 0.598 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -22.391 -13.722 -1.699 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -20.740 -14.309 -1.669 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -22.223 -15.249 -3.443 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -21.396 -16.395 -2.502 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -23.043 -16.097 -2.221 1.00 20.00 H new ATOM 585 N VAL A 29 -22.957 -17.822 4.239 1.00 20.00 N ATOM 586 CA VAL A 29 -22.973 -18.531 5.510 1.00 20.00 C ATOM 587 C VAL A 29 -23.990 -19.669 5.492 1.00 20.00 C ATOM 588 O VAL A 29 -23.658 -20.809 5.813 1.00 20.00 O ATOM 589 CB VAL A 29 -23.279 -17.588 6.695 1.00 20.00 C ATOM 590 CG1 VAL A 29 -23.433 -18.377 7.987 1.00 20.00 C ATOM 591 CG2 VAL A 29 -22.184 -16.544 6.843 1.00 20.00 C ATOM 0 H VAL A 29 -23.342 -16.878 4.277 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.973 -18.943 5.648 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.220 -17.079 6.488 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -23.648 -17.693 8.808 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.252 -19.088 7.883 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -22.509 -18.916 8.197 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -22.417 -15.889 7.683 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -21.230 -17.040 7.023 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.119 -15.953 5.929 1.00 20.00 H new ATOM 601 N ALA A 30 -25.222 -19.357 5.113 1.00 20.00 N ATOM 602 CA ALA A 30 -26.288 -20.346 5.097 1.00 20.00 C ATOM 603 C ALA A 30 -27.386 -19.956 4.114 1.00 20.00 C ATOM 604 O ALA A 30 -28.218 -19.094 4.407 1.00 20.00 O ATOM 605 CB ALA A 30 -26.868 -20.518 6.493 1.00 20.00 C ATOM 0 H ALA A 30 -25.507 -18.425 4.812 1.00 20.00 H new ATOM 0 HA ALA A 30 -25.863 -21.295 4.770 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -27.665 -21.261 6.467 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -26.084 -20.850 7.174 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -27.271 -19.566 6.840 1.00 20.00 H new ATOM 611 N THR A 31 -27.383 -20.583 2.948 1.00 20.00 N ATOM 612 CA THR A 31 -28.418 -20.348 1.954 1.00 20.00 C ATOM 613 C THR A 31 -29.711 -21.056 2.345 1.00 20.00 C ATOM 614 O THR A 31 -29.901 -22.234 2.033 1.00 20.00 O ATOM 615 CB THR A 31 -27.968 -20.818 0.559 1.00 20.00 C ATOM 616 OG1 THR A 31 -26.933 -21.805 0.684 1.00 20.00 O ATOM 617 CG2 THR A 31 -27.472 -19.652 -0.280 1.00 20.00 C ATOM 0 H THR A 31 -26.674 -21.260 2.667 1.00 20.00 H new ATOM 0 HA THR A 31 -28.598 -19.274 1.915 1.00 20.00 H new ATOM 0 HB THR A 31 -28.829 -21.257 0.056 1.00 20.00 H new ATOM 0 HG1 THR A 31 -26.653 -22.100 -0.208 1.00 20.00 H new ATOM 0 HG21 THR A 31 -27.161 -20.015 -1.260 1.00 20.00 H new ATOM 0 HG22 THR A 31 -28.274 -18.924 -0.401 1.00 20.00 H new ATOM 0 HG23 THR A 31 -26.625 -19.180 0.218 1.00 20.00 H new ATOM 625 N SER A 32 -30.581 -20.326 3.048 1.00 20.00 N ATOM 626 CA SER A 32 -31.854 -20.849 3.533 1.00 20.00 C ATOM 627 C SER A 32 -31.643 -21.849 4.669 1.00 20.00 C ATOM 628 O SER A 32 -30.729 -22.678 4.636 1.00 20.00 O ATOM 629 CB SER A 32 -32.655 -21.498 2.395 1.00 20.00 C ATOM 630 OG SER A 32 -33.895 -22.004 2.862 1.00 20.00 O ATOM 0 H SER A 32 -30.418 -19.350 3.296 1.00 20.00 H new ATOM 0 HA SER A 32 -32.427 -20.006 3.920 1.00 20.00 H new ATOM 0 HB2 SER A 32 -32.832 -20.765 1.608 1.00 20.00 H new ATOM 0 HB3 SER A 32 -32.073 -22.307 1.953 1.00 20.00 H new ATOM 0 HG SER A 32 -33.850 -22.981 2.916 1.00 20.00 H new ATOM 636 N LEU A 33 -32.487 -21.759 5.686 1.00 20.00 N ATOM 637 CA LEU A 33 -32.421 -22.679 6.813 1.00 20.00 C ATOM 638 C LEU A 33 -33.369 -23.854 6.589 1.00 20.00 C ATOM 639 O LEU A 33 -33.396 -24.811 7.370 1.00 20.00 O ATOM 640 CB LEU A 33 -32.769 -21.947 8.112 1.00 20.00 C ATOM 641 CG LEU A 33 -31.872 -20.749 8.448 1.00 20.00 C ATOM 642 CD1 LEU A 33 -32.393 -20.023 9.675 1.00 20.00 C ATOM 643 CD2 LEU A 33 -30.431 -21.191 8.666 1.00 20.00 C ATOM 0 H LEU A 33 -33.226 -21.059 5.755 1.00 20.00 H new ATOM 0 HA LEU A 33 -31.405 -23.065 6.895 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -33.801 -21.602 8.050 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -32.720 -22.659 8.936 1.00 20.00 H new ATOM 0 HG LEU A 33 -31.893 -20.063 7.601 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -31.745 -19.176 9.899 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -33.405 -19.665 9.484 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -32.404 -20.706 10.524 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -29.816 -20.323 8.903 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -30.389 -21.901 9.492 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -30.055 -21.666 7.760 1.00 20.00 H new ATOM 655 N ALA A 34 -34.137 -23.774 5.511 1.00 20.00 N ATOM 656 CA ALA A 34 -35.052 -24.839 5.134 1.00 20.00 C ATOM 657 C ALA A 34 -34.428 -25.705 4.047 1.00 20.00 C ATOM 658 O ALA A 34 -33.861 -25.187 3.083 1.00 20.00 O ATOM 659 CB ALA A 34 -36.374 -24.258 4.654 1.00 20.00 C ATOM 0 H ALA A 34 -34.143 -22.974 4.878 1.00 20.00 H new ATOM 0 HA ALA A 34 -35.246 -25.460 6.009 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -37.048 -25.068 4.376 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -36.825 -23.670 5.453 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -36.198 -23.619 3.789 1.00 20.00 H new ATOM 665 N ASP A 35 -34.522 -27.017 4.209 1.00 20.00 N ATOM 666 CA ASP A 35 -33.919 -27.948 3.261 1.00 20.00 C ATOM 667 C ASP A 35 -34.788 -28.098 2.021 1.00 20.00 C ATOM 668 O ASP A 35 -35.958 -28.470 2.123 1.00 20.00 O ATOM 669 CB ASP A 35 -33.704 -29.324 3.901 1.00 20.00 C ATOM 670 CG ASP A 35 -32.678 -29.302 5.013 1.00 20.00 C ATOM 671 OD1 ASP A 35 -31.476 -29.139 4.715 1.00 20.00 O ATOM 672 OD2 ASP A 35 -33.067 -29.437 6.195 1.00 20.00 O ATOM 0 H ASP A 35 -35.009 -27.462 4.987 1.00 20.00 H new ATOM 0 HA ASP A 35 -32.952 -27.537 2.972 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -34.653 -29.688 4.296 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -33.386 -30.030 3.134 1.00 20.00 H new ATOM 677 N PRO A 36 -34.235 -27.795 0.833 1.00 20.00 N ATOM 678 CA PRO A 36 -34.935 -27.971 -0.445 1.00 20.00 C ATOM 679 C PRO A 36 -35.131 -29.445 -0.800 1.00 20.00 C ATOM 680 O PRO A 36 -34.540 -29.959 -1.753 1.00 20.00 O ATOM 681 CB PRO A 36 -34.017 -27.296 -1.473 1.00 20.00 C ATOM 682 CG PRO A 36 -33.026 -26.513 -0.677 1.00 20.00 C ATOM 683 CD PRO A 36 -32.895 -27.225 0.637 1.00 20.00 C ATOM 0 HA PRO A 36 -35.937 -27.543 -0.412 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -33.519 -28.036 -2.099 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -34.585 -26.646 -2.139 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -32.066 -26.462 -1.191 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -33.365 -25.487 -0.533 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -32.127 -27.998 0.603 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -32.624 -26.542 1.442 1.00 20.00 H new ATOM 691 N ARG A 37 -35.949 -30.121 -0.013 1.00 20.00 N ATOM 692 CA ARG A 37 -36.267 -31.519 -0.256 1.00 20.00 C ATOM 693 C ARG A 37 -37.583 -31.676 -1.030 1.00 20.00 C ATOM 694 O ARG A 37 -37.636 -32.454 -1.981 1.00 20.00 O ATOM 695 CB ARG A 37 -36.305 -32.313 1.054 1.00 20.00 C ATOM 696 CG ARG A 37 -34.955 -32.403 1.752 1.00 20.00 C ATOM 697 CD ARG A 37 -33.884 -32.954 0.824 1.00 20.00 C ATOM 698 NE ARG A 37 -34.262 -34.248 0.253 1.00 20.00 N ATOM 699 CZ ARG A 37 -33.995 -34.621 -0.999 1.00 20.00 C ATOM 700 NH1 ARG A 37 -33.357 -33.796 -1.824 1.00 20.00 N ATOM 701 NH2 ARG A 37 -34.361 -35.825 -1.423 1.00 20.00 N ATOM 0 H ARG A 37 -36.408 -29.722 0.806 1.00 20.00 H new ATOM 0 HA ARG A 37 -35.470 -31.928 -0.877 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -37.024 -31.849 1.730 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -36.666 -33.321 0.848 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -34.660 -31.415 2.104 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -35.040 -33.042 2.631 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -33.702 -32.242 0.019 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -32.949 -33.060 1.373 1.00 20.00 H new ATOM 0 HE ARG A 37 -34.761 -34.906 0.851 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -33.069 -32.873 -1.500 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -33.155 -34.087 -2.781 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -34.846 -36.463 -0.791 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -34.158 -36.112 -2.380 1.00 20.00 H new ATOM 715 N PRO A 38 -38.671 -30.970 -0.646 1.00 20.00 N ATOM 716 CA PRO A 38 -39.915 -30.992 -1.421 1.00 20.00 C ATOM 717 C PRO A 38 -39.734 -30.320 -2.776 1.00 20.00 C ATOM 718 O PRO A 38 -38.933 -29.391 -2.905 1.00 20.00 O ATOM 719 CB PRO A 38 -40.911 -30.197 -0.565 1.00 20.00 C ATOM 720 CG PRO A 38 -40.281 -30.085 0.780 1.00 20.00 C ATOM 721 CD PRO A 38 -38.800 -30.119 0.548 1.00 20.00 C ATOM 0 HA PRO A 38 -40.248 -32.009 -1.627 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -41.098 -29.212 -0.994 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -41.872 -30.707 -0.507 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -40.577 -29.159 1.274 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -40.593 -30.905 1.426 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -38.395 -29.121 0.378 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -38.267 -30.538 1.402 1.00 20.00 H new ATOM 729 N ALA A 39 -40.479 -30.799 -3.771 1.00 20.00 N ATOM 730 CA ALA A 39 -40.412 -30.280 -5.136 1.00 20.00 C ATOM 731 C ALA A 39 -39.069 -30.599 -5.787 1.00 20.00 C ATOM 732 O ALA A 39 -38.277 -31.379 -5.254 1.00 20.00 O ATOM 733 CB ALA A 39 -40.695 -28.779 -5.165 1.00 20.00 C ATOM 0 H ALA A 39 -41.148 -31.560 -3.653 1.00 20.00 H new ATOM 0 HA ALA A 39 -41.186 -30.779 -5.719 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -40.639 -28.418 -6.192 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -41.692 -28.589 -4.767 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -39.956 -28.258 -4.556 1.00 20.00 H new ATOM 739 N ILE A 40 -38.828 -30.017 -6.950 1.00 20.00 N ATOM 740 CA ILE A 40 -37.585 -30.242 -7.677 1.00 20.00 C ATOM 741 C ILE A 40 -36.400 -29.557 -6.998 1.00 20.00 C ATOM 742 O ILE A 40 -36.436 -28.359 -6.711 1.00 20.00 O ATOM 743 CB ILE A 40 -37.681 -29.772 -9.144 1.00 20.00 C ATOM 744 CG1 ILE A 40 -38.349 -28.398 -9.236 1.00 20.00 C ATOM 745 CG2 ILE A 40 -38.432 -30.801 -9.971 1.00 20.00 C ATOM 746 CD1 ILE A 40 -38.404 -27.842 -10.642 1.00 20.00 C ATOM 0 H ILE A 40 -39.478 -29.383 -7.414 1.00 20.00 H new ATOM 0 HA ILE A 40 -37.419 -31.319 -7.668 1.00 20.00 H new ATOM 0 HB ILE A 40 -36.672 -29.674 -9.546 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -39.363 -28.470 -8.843 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -37.809 -27.698 -8.599 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -38.495 -30.461 -11.005 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -37.904 -31.754 -9.934 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -39.437 -30.928 -9.569 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -38.891 -26.867 -10.629 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -37.391 -27.737 -11.032 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -38.970 -28.521 -11.280 1.00 20.00 H new ATOM 758 N PRO A 41 -35.339 -30.327 -6.720 1.00 20.00 N ATOM 759 CA PRO A 41 -34.106 -29.792 -6.145 1.00 20.00 C ATOM 760 C PRO A 41 -33.284 -29.054 -7.200 1.00 20.00 C ATOM 761 O PRO A 41 -33.318 -29.405 -8.382 1.00 20.00 O ATOM 762 CB PRO A 41 -33.368 -31.045 -5.670 1.00 20.00 C ATOM 763 CG PRO A 41 -33.850 -32.136 -6.562 1.00 20.00 C ATOM 764 CD PRO A 41 -35.264 -31.785 -6.941 1.00 20.00 C ATOM 0 HA PRO A 41 -34.288 -29.070 -5.349 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -32.288 -30.920 -5.747 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -33.590 -31.262 -4.625 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -33.220 -32.220 -7.448 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -33.813 -33.099 -6.052 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -35.475 -32.043 -7.979 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -35.987 -32.320 -6.326 1.00 20.00 H new ATOM 772 N HIS A 42 -32.535 -28.038 -6.764 1.00 20.00 N ATOM 773 CA HIS A 42 -31.798 -27.175 -7.689 1.00 20.00 C ATOM 774 C HIS A 42 -30.749 -27.949 -8.482 1.00 20.00 C ATOM 775 O HIS A 42 -30.308 -27.496 -9.535 1.00 20.00 O ATOM 776 CB HIS A 42 -31.149 -25.978 -6.964 1.00 20.00 C ATOM 777 CG HIS A 42 -30.249 -26.333 -5.813 1.00 20.00 C ATOM 778 ND1 HIS A 42 -30.604 -26.127 -4.498 1.00 20.00 N ATOM 779 CD2 HIS A 42 -28.995 -26.850 -5.783 1.00 20.00 C ATOM 780 CE1 HIS A 42 -29.614 -26.497 -3.710 1.00 20.00 C ATOM 781 NE2 HIS A 42 -28.626 -26.941 -4.463 1.00 20.00 N ATOM 0 H HIS A 42 -32.423 -27.794 -5.780 1.00 20.00 H new ATOM 0 HA HIS A 42 -32.532 -26.786 -8.395 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -30.573 -25.404 -7.690 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -31.940 -25.325 -6.596 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -28.399 -27.136 -6.637 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -29.612 -26.445 -2.631 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -27.733 -27.295 -4.120 1.00 20.00 H new ATOM 790 N ASP A 43 -30.360 -29.116 -7.982 1.00 20.00 N ATOM 791 CA ASP A 43 -29.403 -29.960 -8.691 1.00 20.00 C ATOM 792 C ASP A 43 -30.043 -30.573 -9.934 1.00 20.00 C ATOM 793 O ASP A 43 -29.432 -30.609 -11.000 1.00 20.00 O ATOM 794 CB ASP A 43 -28.857 -31.062 -7.778 1.00 20.00 C ATOM 795 CG ASP A 43 -27.881 -31.977 -8.492 1.00 20.00 C ATOM 796 OD1 ASP A 43 -26.817 -31.494 -8.935 1.00 20.00 O ATOM 797 OD2 ASP A 43 -28.175 -33.185 -8.615 1.00 20.00 O ATOM 0 H ASP A 43 -30.689 -29.498 -7.095 1.00 20.00 H new ATOM 0 HA ASP A 43 -28.569 -29.330 -9.001 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -28.362 -30.607 -6.920 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -29.687 -31.653 -7.391 1.00 20.00 H new ATOM 802 N GLU A 44 -31.289 -31.019 -9.803 1.00 20.00 N ATOM 803 CA GLU A 44 -32.002 -31.616 -10.925 1.00 20.00 C ATOM 804 C GLU A 44 -32.389 -30.540 -11.931 1.00 20.00 C ATOM 805 O GLU A 44 -32.487 -30.798 -13.132 1.00 20.00 O ATOM 806 CB GLU A 44 -33.249 -32.369 -10.449 1.00 20.00 C ATOM 807 CG GLU A 44 -34.001 -33.057 -11.578 1.00 20.00 C ATOM 808 CD GLU A 44 -35.192 -33.860 -11.101 1.00 20.00 C ATOM 809 OE1 GLU A 44 -34.987 -34.880 -10.405 1.00 20.00 O ATOM 810 OE2 GLU A 44 -36.337 -33.496 -11.443 1.00 20.00 O ATOM 0 H GLU A 44 -31.823 -30.978 -8.935 1.00 20.00 H new ATOM 0 HA GLU A 44 -31.338 -32.333 -11.407 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -32.955 -33.114 -9.710 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -33.919 -31.670 -9.948 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -34.340 -32.305 -12.291 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -33.317 -33.717 -12.112 1.00 20.00 H new ATOM 817 N VAL A 45 -32.598 -29.331 -11.435 1.00 20.00 N ATOM 818 CA VAL A 45 -32.909 -28.197 -12.293 1.00 20.00 C ATOM 819 C VAL A 45 -31.746 -27.910 -13.235 1.00 20.00 C ATOM 820 O VAL A 45 -31.933 -27.764 -14.440 1.00 20.00 O ATOM 821 CB VAL A 45 -33.233 -26.935 -11.468 1.00 20.00 C ATOM 822 CG1 VAL A 45 -33.487 -25.736 -12.372 1.00 20.00 C ATOM 823 CG2 VAL A 45 -34.431 -27.188 -10.571 1.00 20.00 C ATOM 0 H VAL A 45 -32.558 -29.109 -10.440 1.00 20.00 H new ATOM 0 HA VAL A 45 -33.792 -28.459 -12.876 1.00 20.00 H new ATOM 0 HB VAL A 45 -32.368 -26.706 -10.845 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -33.713 -24.862 -11.762 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -32.600 -25.539 -12.974 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -34.331 -25.948 -13.029 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -34.650 -26.290 -9.994 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -35.296 -27.446 -11.183 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -34.209 -28.011 -9.891 1.00 20.00 H new ATOM 833 N GLU A 46 -30.545 -27.863 -12.687 1.00 20.00 N ATOM 834 CA GLU A 46 -29.357 -27.585 -13.484 1.00 20.00 C ATOM 835 C GLU A 46 -28.929 -28.803 -14.297 1.00 20.00 C ATOM 836 O GLU A 46 -28.187 -28.681 -15.268 1.00 20.00 O ATOM 837 CB GLU A 46 -28.218 -27.108 -12.587 1.00 20.00 C ATOM 838 CG GLU A 46 -28.514 -25.779 -11.914 1.00 20.00 C ATOM 839 CD GLU A 46 -27.469 -25.390 -10.898 1.00 20.00 C ATOM 840 OE1 GLU A 46 -26.354 -25.000 -11.301 1.00 20.00 O ATOM 841 OE2 GLU A 46 -27.756 -25.469 -9.689 1.00 20.00 O ATOM 0 H GLU A 46 -30.363 -28.013 -11.695 1.00 20.00 H new ATOM 0 HA GLU A 46 -29.605 -26.792 -14.189 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -28.024 -27.861 -11.823 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -27.309 -27.014 -13.181 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -28.583 -25.000 -12.674 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -29.487 -25.834 -11.425 1.00 20.00 H new ATOM 848 N ARG A 47 -29.382 -29.977 -13.896 1.00 20.00 N ATOM 849 CA ARG A 47 -29.095 -31.193 -14.646 1.00 20.00 C ATOM 850 C ARG A 47 -30.106 -31.397 -15.778 1.00 20.00 C ATOM 851 O ARG A 47 -29.767 -31.293 -16.956 1.00 20.00 O ATOM 852 CB ARG A 47 -29.091 -32.413 -13.717 1.00 20.00 C ATOM 853 CG ARG A 47 -28.816 -33.729 -14.432 1.00 20.00 C ATOM 854 CD ARG A 47 -27.466 -33.715 -15.132 1.00 20.00 C ATOM 855 NE ARG A 47 -27.218 -34.946 -15.879 1.00 20.00 N ATOM 856 CZ ARG A 47 -26.126 -35.160 -16.609 1.00 20.00 C ATOM 857 NH1 ARG A 47 -25.192 -34.219 -16.698 1.00 20.00 N ATOM 858 NH2 ARG A 47 -25.970 -36.310 -17.250 1.00 20.00 N ATOM 0 H ARG A 47 -29.948 -30.117 -13.059 1.00 20.00 H new ATOM 0 HA ARG A 47 -28.105 -31.084 -15.088 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -28.337 -32.266 -12.943 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -30.056 -32.478 -13.214 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -28.845 -34.547 -13.713 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -29.603 -33.918 -15.162 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -27.420 -32.864 -15.812 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -26.677 -33.575 -14.393 1.00 20.00 H new ATOM 0 HE ARG A 47 -27.922 -35.683 -15.839 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -25.312 -33.333 -16.207 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -24.355 -34.383 -17.257 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -26.687 -37.032 -17.184 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -25.133 -36.473 -17.809 1.00 20.00 H new ATOM 872 N ARG A 48 -31.351 -31.672 -15.408 1.00 20.00 N ATOM 873 CA ARG A 48 -32.385 -32.041 -16.370 1.00 20.00 C ATOM 874 C ARG A 48 -33.019 -30.808 -17.008 1.00 20.00 C ATOM 875 O ARG A 48 -33.158 -30.730 -18.230 1.00 20.00 O ATOM 876 CB ARG A 48 -33.463 -32.879 -15.671 1.00 20.00 C ATOM 877 CG ARG A 48 -34.648 -33.242 -16.558 1.00 20.00 C ATOM 878 CD ARG A 48 -34.230 -34.109 -17.737 1.00 20.00 C ATOM 879 NE ARG A 48 -33.609 -35.361 -17.308 1.00 20.00 N ATOM 880 CZ ARG A 48 -33.621 -36.481 -18.027 1.00 20.00 C ATOM 881 NH1 ARG A 48 -34.250 -36.522 -19.195 1.00 20.00 N ATOM 882 NH2 ARG A 48 -33.010 -37.564 -17.569 1.00 20.00 N ATOM 0 H ARG A 48 -31.672 -31.646 -14.440 1.00 20.00 H new ATOM 0 HA ARG A 48 -31.919 -32.626 -17.163 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -33.008 -33.797 -15.298 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -33.828 -32.329 -14.804 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -35.396 -33.770 -15.966 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -35.118 -32.330 -16.927 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -35.103 -34.330 -18.351 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -33.531 -33.555 -18.364 1.00 20.00 H new ATOM 0 HE ARG A 48 -33.138 -35.377 -16.403 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -34.728 -35.692 -19.546 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -34.256 -37.383 -19.741 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -32.532 -37.538 -16.668 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -33.017 -38.424 -18.117 1.00 20.00 H new ATOM 896 N MET A 49 -33.392 -29.845 -16.181 1.00 20.00 N ATOM 897 CA MET A 49 -34.120 -28.672 -16.651 1.00 20.00 C ATOM 898 C MET A 49 -33.220 -27.727 -17.438 1.00 20.00 C ATOM 899 O MET A 49 -33.712 -26.872 -18.162 1.00 20.00 O ATOM 900 CB MET A 49 -34.768 -27.933 -15.481 1.00 20.00 C ATOM 901 CG MET A 49 -35.842 -28.745 -14.774 1.00 20.00 C ATOM 902 SD MET A 49 -37.251 -29.123 -15.837 1.00 20.00 S ATOM 903 CE MET A 49 -37.881 -27.478 -16.171 1.00 20.00 C ATOM 0 H MET A 49 -33.203 -29.850 -15.179 1.00 20.00 H new ATOM 0 HA MET A 49 -34.903 -29.024 -17.323 1.00 20.00 H new ATOM 0 HB2 MET A 49 -33.996 -27.660 -14.761 1.00 20.00 H new ATOM 0 HB3 MET A 49 -35.206 -27.004 -15.846 1.00 20.00 H new ATOM 0 HG2 MET A 49 -35.407 -29.676 -14.412 1.00 20.00 H new ATOM 0 HG3 MET A 49 -36.190 -28.195 -13.900 1.00 20.00 H new ATOM 0 HE1 MET A 49 -38.918 -27.545 -16.500 1.00 20.00 H new ATOM 0 HE2 MET A 49 -37.827 -26.876 -15.264 1.00 20.00 H new ATOM 0 HE3 MET A 49 -37.282 -27.011 -16.953 1.00 20.00 H new ATOM 913 N ALA A 50 -31.907 -27.888 -17.281 1.00 20.00 N ATOM 914 CA ALA A 50 -30.915 -27.040 -17.950 1.00 20.00 C ATOM 915 C ALA A 50 -31.204 -26.858 -19.438 1.00 20.00 C ATOM 916 O ALA A 50 -31.059 -25.762 -19.979 1.00 20.00 O ATOM 917 CB ALA A 50 -29.528 -27.625 -17.772 1.00 20.00 C ATOM 0 H ALA A 50 -31.498 -28.609 -16.687 1.00 20.00 H new ATOM 0 HA ALA A 50 -30.972 -26.057 -17.483 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -28.798 -26.989 -18.272 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -29.291 -27.683 -16.710 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -29.496 -28.624 -18.206 1.00 20.00 H new ATOM 923 N GLU A 51 -31.615 -27.934 -20.091 1.00 20.00 N ATOM 924 CA GLU A 51 -31.882 -27.910 -21.524 1.00 20.00 C ATOM 925 C GLU A 51 -33.088 -27.026 -21.840 1.00 20.00 C ATOM 926 O GLU A 51 -33.172 -26.423 -22.910 1.00 20.00 O ATOM 927 CB GLU A 51 -32.121 -29.328 -22.038 1.00 20.00 C ATOM 928 CG GLU A 51 -30.945 -30.268 -21.810 1.00 20.00 C ATOM 929 CD GLU A 51 -31.217 -31.668 -22.310 1.00 20.00 C ATOM 930 OE1 GLU A 51 -30.930 -31.949 -23.489 1.00 20.00 O ATOM 931 OE2 GLU A 51 -31.721 -32.497 -21.523 1.00 20.00 O ATOM 0 H GLU A 51 -31.772 -28.840 -19.650 1.00 20.00 H new ATOM 0 HA GLU A 51 -31.010 -27.491 -22.027 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -33.003 -29.739 -21.548 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -32.340 -29.286 -23.105 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -30.064 -29.871 -22.314 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -30.714 -30.304 -20.745 1.00 20.00 H new ATOM 938 N ARG A 52 -34.012 -26.950 -20.897 1.00 20.00 N ATOM 939 CA ARG A 52 -35.215 -26.146 -21.057 1.00 20.00 C ATOM 940 C ARG A 52 -34.988 -24.739 -20.520 1.00 20.00 C ATOM 941 O ARG A 52 -35.617 -23.780 -20.963 1.00 20.00 O ATOM 942 CB ARG A 52 -36.389 -26.803 -20.335 1.00 20.00 C ATOM 943 CG ARG A 52 -36.690 -28.211 -20.820 1.00 20.00 C ATOM 944 CD ARG A 52 -37.880 -28.805 -20.093 1.00 20.00 C ATOM 945 NE ARG A 52 -38.166 -30.165 -20.541 1.00 20.00 N ATOM 946 CZ ARG A 52 -39.195 -30.891 -20.113 1.00 20.00 C ATOM 947 NH1 ARG A 52 -40.055 -30.384 -19.237 1.00 20.00 N ATOM 948 NH2 ARG A 52 -39.366 -32.122 -20.572 1.00 20.00 N ATOM 0 H ARG A 52 -33.952 -27.440 -20.004 1.00 20.00 H new ATOM 0 HA ARG A 52 -35.450 -26.079 -22.119 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -36.177 -26.833 -19.266 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -37.277 -26.185 -20.466 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -36.888 -28.193 -21.892 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -35.816 -28.844 -20.668 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -37.686 -28.809 -19.020 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -38.756 -28.177 -20.256 1.00 20.00 H new ATOM 0 HE ARG A 52 -37.537 -30.585 -21.225 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -39.928 -29.434 -18.889 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -40.842 -30.945 -18.912 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -38.710 -32.509 -21.251 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -40.154 -32.683 -20.247 1.00 20.00 H new ATOM 962 N PHE A 53 -34.075 -24.630 -19.564 1.00 20.00 N ATOM 963 CA PHE A 53 -33.722 -23.349 -18.971 1.00 20.00 C ATOM 964 C PHE A 53 -33.095 -22.438 -20.019 1.00 20.00 C ATOM 965 O PHE A 53 -33.195 -21.219 -19.932 1.00 20.00 O ATOM 966 CB PHE A 53 -32.762 -23.560 -17.797 1.00 20.00 C ATOM 967 CG PHE A 53 -32.366 -22.294 -17.089 1.00 20.00 C ATOM 968 CD1 PHE A 53 -33.299 -21.553 -16.376 1.00 20.00 C ATOM 969 CD2 PHE A 53 -31.053 -21.847 -17.129 1.00 20.00 C ATOM 970 CE1 PHE A 53 -32.929 -20.393 -15.723 1.00 20.00 C ATOM 971 CE2 PHE A 53 -30.681 -20.689 -16.478 1.00 20.00 C ATOM 972 CZ PHE A 53 -31.620 -19.961 -15.773 1.00 20.00 C ATOM 0 H PHE A 53 -33.561 -25.423 -19.180 1.00 20.00 H new ATOM 0 HA PHE A 53 -34.627 -22.871 -18.597 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -33.228 -24.234 -17.078 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -31.862 -24.055 -18.162 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -34.325 -21.887 -16.331 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -30.313 -22.412 -17.676 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -33.665 -19.825 -15.173 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -29.656 -20.352 -16.519 1.00 20.00 H new ATOM 0 HZ PHE A 53 -31.330 -19.055 -15.262 1.00 20.00 H new ATOM 982 N ALA A 54 -32.470 -23.048 -21.019 1.00 20.00 N ATOM 983 CA ALA A 54 -31.892 -22.312 -22.136 1.00 20.00 C ATOM 984 C ALA A 54 -32.975 -21.569 -22.914 1.00 20.00 C ATOM 985 O ALA A 54 -32.698 -20.605 -23.628 1.00 20.00 O ATOM 986 CB ALA A 54 -31.139 -23.261 -23.053 1.00 20.00 C ATOM 0 H ALA A 54 -32.350 -24.059 -21.078 1.00 20.00 H new ATOM 0 HA ALA A 54 -31.193 -21.576 -21.739 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -30.711 -22.701 -23.884 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -30.340 -23.749 -22.495 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -31.825 -24.015 -23.439 1.00 20.00 H new ATOM 992 N LYS A 55 -34.211 -22.027 -22.774 1.00 20.00 N ATOM 993 CA LYS A 55 -35.345 -21.376 -23.408 1.00 20.00 C ATOM 994 C LYS A 55 -35.898 -20.279 -22.505 1.00 20.00 C ATOM 995 O LYS A 55 -36.316 -19.226 -22.976 1.00 20.00 O ATOM 996 CB LYS A 55 -36.444 -22.397 -23.718 1.00 20.00 C ATOM 997 CG LYS A 55 -35.996 -23.533 -24.629 1.00 20.00 C ATOM 998 CD LYS A 55 -37.034 -24.640 -24.699 1.00 20.00 C ATOM 999 CE LYS A 55 -38.365 -24.132 -25.231 1.00 20.00 C ATOM 1000 NZ LYS A 55 -39.356 -25.229 -25.390 1.00 20.00 N ATOM 0 H LYS A 55 -34.453 -22.851 -22.224 1.00 20.00 H new ATOM 0 HA LYS A 55 -35.006 -20.929 -24.343 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -36.809 -22.819 -22.781 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -37.284 -21.881 -24.184 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -35.810 -23.145 -25.630 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -35.053 -23.941 -24.265 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -36.668 -25.442 -25.341 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -37.178 -25.067 -23.706 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -38.764 -23.379 -24.551 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -38.208 -23.643 -26.192 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -40.249 -24.840 -25.755 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -38.988 -25.935 -26.058 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -39.526 -25.680 -24.468 1.00 20.00 H new ATOM 1014 N MET A 56 -35.872 -20.529 -21.203 1.00 20.00 N ATOM 1015 CA MET A 56 -36.425 -19.593 -20.229 1.00 20.00 C ATOM 1016 C MET A 56 -35.468 -18.429 -19.975 1.00 20.00 C ATOM 1017 O MET A 56 -35.892 -17.288 -19.793 1.00 20.00 O ATOM 1018 CB MET A 56 -36.734 -20.319 -18.913 1.00 20.00 C ATOM 1019 CG MET A 56 -37.313 -19.414 -17.837 1.00 20.00 C ATOM 1020 SD MET A 56 -38.831 -18.587 -18.356 1.00 20.00 S ATOM 1021 CE MET A 56 -39.911 -19.992 -18.631 1.00 20.00 C ATOM 0 H MET A 56 -35.473 -21.374 -20.794 1.00 20.00 H new ATOM 0 HA MET A 56 -37.350 -19.187 -20.639 1.00 20.00 H new ATOM 0 HB2 MET A 56 -37.437 -21.128 -19.111 1.00 20.00 H new ATOM 0 HB3 MET A 56 -35.819 -20.776 -18.537 1.00 20.00 H new ATOM 0 HG2 MET A 56 -37.514 -20.004 -16.943 1.00 20.00 H new ATOM 0 HG3 MET A 56 -36.572 -18.663 -17.563 1.00 20.00 H new ATOM 0 HE1 MET A 56 -40.946 -19.652 -18.677 1.00 20.00 H new ATOM 0 HE2 MET A 56 -39.646 -20.476 -19.571 1.00 20.00 H new ATOM 0 HE3 MET A 56 -39.799 -20.703 -17.812 1.00 20.00 H new ATOM 1031 N ARG A 57 -34.174 -18.725 -19.971 1.00 20.00 N ATOM 1032 CA ARG A 57 -33.153 -17.710 -19.728 1.00 20.00 C ATOM 1033 C ARG A 57 -32.905 -16.895 -20.993 1.00 20.00 C ATOM 1034 O ARG A 57 -32.233 -15.863 -20.967 1.00 20.00 O ATOM 1035 CB ARG A 57 -31.851 -18.373 -19.251 1.00 20.00 C ATOM 1036 CG ARG A 57 -30.746 -17.400 -18.846 1.00 20.00 C ATOM 1037 CD ARG A 57 -31.097 -16.607 -17.589 1.00 20.00 C ATOM 1038 NE ARG A 57 -32.160 -15.627 -17.821 1.00 20.00 N ATOM 1039 CZ ARG A 57 -32.999 -15.195 -16.880 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -32.894 -15.643 -15.633 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -33.939 -14.307 -17.185 1.00 20.00 N ATOM 0 H ARG A 57 -33.805 -19.662 -20.134 1.00 20.00 H new ATOM 0 HA ARG A 57 -33.506 -17.036 -18.948 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -32.078 -19.017 -18.401 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -31.475 -19.016 -20.047 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -29.823 -17.954 -18.676 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -30.556 -16.708 -19.667 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -31.408 -17.296 -16.804 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -30.206 -16.093 -17.227 1.00 20.00 H new ATOM 0 HE ARG A 57 -32.265 -15.251 -18.763 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -32.169 -16.320 -15.394 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -33.538 -15.310 -14.916 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -34.019 -13.956 -18.139 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -34.581 -13.976 -16.465 1.00 20.00 H new ATOM 1055 N LYS A 58 -33.467 -17.362 -22.096 1.00 20.00 N ATOM 1056 CA LYS A 58 -33.342 -16.669 -23.366 1.00 20.00 C ATOM 1057 C LYS A 58 -34.270 -15.463 -23.397 1.00 20.00 C ATOM 1058 O LYS A 58 -35.481 -15.596 -23.208 1.00 20.00 O ATOM 1059 CB LYS A 58 -33.662 -17.617 -24.523 1.00 20.00 C ATOM 1060 CG LYS A 58 -33.471 -16.992 -25.897 1.00 20.00 C ATOM 1061 CD LYS A 58 -33.655 -18.012 -27.014 1.00 20.00 C ATOM 1062 CE LYS A 58 -32.387 -18.818 -27.285 1.00 20.00 C ATOM 1063 NZ LYS A 58 -31.910 -19.574 -26.094 1.00 20.00 N ATOM 0 H LYS A 58 -34.016 -18.221 -22.136 1.00 20.00 H new ATOM 0 HA LYS A 58 -32.314 -16.323 -23.477 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -33.027 -18.500 -24.444 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -34.693 -17.956 -24.428 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -34.183 -16.177 -26.028 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -32.474 -16.557 -25.963 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -34.465 -18.692 -26.750 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -33.956 -17.497 -27.926 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -32.575 -19.517 -28.100 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -31.599 -18.143 -27.619 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -31.321 -20.373 -26.403 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -31.348 -18.945 -25.485 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -32.727 -19.933 -25.560 1.00 20.00 H new ATOM 1077 N GLU A 59 -33.693 -14.292 -23.625 1.00 20.00 N ATOM 1078 CA GLU A 59 -34.455 -13.053 -23.658 1.00 20.00 C ATOM 1079 C GLU A 59 -35.305 -12.991 -24.927 1.00 20.00 C ATOM 1080 O GLU A 59 -34.980 -13.621 -25.937 1.00 20.00 O ATOM 1081 CB GLU A 59 -33.508 -11.847 -23.575 1.00 20.00 C ATOM 1082 CG GLU A 59 -34.218 -10.499 -23.509 1.00 20.00 C ATOM 1083 CD GLU A 59 -35.190 -10.399 -22.349 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -34.772 -9.978 -21.249 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -36.380 -10.741 -22.533 1.00 20.00 O ATOM 0 H GLU A 59 -32.693 -14.174 -23.791 1.00 20.00 H new ATOM 0 HA GLU A 59 -35.123 -13.024 -22.797 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -32.876 -11.956 -22.694 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -32.849 -11.856 -24.443 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -33.475 -9.707 -23.423 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -34.756 -10.331 -24.442 1.00 20.00 H new ATOM 1092 N ARG A 60 -36.388 -12.229 -24.855 1.00 20.00 N ATOM 1093 CA ARG A 60 -37.369 -12.135 -25.929 1.00 20.00 C ATOM 1094 C ARG A 60 -36.794 -11.460 -27.170 1.00 20.00 C ATOM 1095 O ARG A 60 -36.843 -10.235 -27.299 1.00 20.00 O ATOM 1096 CB ARG A 60 -38.584 -11.352 -25.437 1.00 20.00 C ATOM 1097 CG ARG A 60 -39.307 -12.018 -24.281 1.00 20.00 C ATOM 1098 CD ARG A 60 -40.003 -10.995 -23.404 1.00 20.00 C ATOM 1099 NE ARG A 60 -39.043 -10.122 -22.728 1.00 20.00 N ATOM 1100 CZ ARG A 60 -39.376 -9.056 -22.008 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -40.650 -8.722 -21.852 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -38.429 -8.323 -21.443 1.00 20.00 N ATOM 0 H ARG A 60 -36.613 -11.654 -24.043 1.00 20.00 H new ATOM 0 HA ARG A 60 -37.658 -13.148 -26.208 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -38.264 -10.356 -25.130 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -39.281 -11.222 -26.264 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -40.039 -12.727 -24.667 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -38.595 -12.588 -23.684 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -40.678 -10.393 -24.012 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -40.615 -11.508 -22.662 1.00 20.00 H new ATOM 0 HE ARG A 60 -38.052 -10.347 -22.815 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -41.382 -9.285 -22.286 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -40.898 -7.902 -21.298 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -37.448 -8.577 -21.561 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -38.680 -7.504 -20.889 1.00 20.00 H new ATOM 1116 N SER A 61 -36.253 -12.258 -28.077 1.00 20.00 N ATOM 1117 CA SER A 61 -35.764 -11.744 -29.346 1.00 20.00 C ATOM 1118 C SER A 61 -36.774 -12.069 -30.443 1.00 20.00 C ATOM 1119 O SER A 61 -36.832 -11.400 -31.477 1.00 20.00 O ATOM 1120 CB SER A 61 -34.388 -12.339 -29.674 1.00 20.00 C ATOM 1121 OG SER A 61 -33.770 -11.655 -30.755 1.00 20.00 O ATOM 0 H SER A 61 -36.142 -13.265 -27.958 1.00 20.00 H new ATOM 0 HA SER A 61 -35.649 -10.662 -29.278 1.00 20.00 H new ATOM 0 HB2 SER A 61 -33.748 -12.285 -28.794 1.00 20.00 H new ATOM 0 HB3 SER A 61 -34.497 -13.394 -29.924 1.00 20.00 H new ATOM 0 HG SER A 61 -32.895 -12.056 -30.939 1.00 20.00 H new ATOM 1127 N LYS A 62 -37.590 -13.087 -30.191 1.00 20.00 N ATOM 1128 CA LYS A 62 -38.626 -13.493 -31.127 1.00 20.00 C ATOM 1129 C LYS A 62 -39.933 -12.816 -30.747 1.00 20.00 C ATOM 1130 O LYS A 62 -40.483 -13.069 -29.675 1.00 20.00 O ATOM 1131 CB LYS A 62 -38.795 -15.024 -31.105 1.00 20.00 C ATOM 1132 CG LYS A 62 -39.497 -15.617 -32.333 1.00 20.00 C ATOM 1133 CD LYS A 62 -40.966 -15.210 -32.446 1.00 20.00 C ATOM 1134 CE LYS A 62 -41.801 -15.738 -31.287 1.00 20.00 C ATOM 1135 NZ LYS A 62 -43.218 -15.286 -31.369 1.00 20.00 N ATOM 0 H LYS A 62 -37.551 -13.648 -29.340 1.00 20.00 H new ATOM 0 HA LYS A 62 -38.341 -13.194 -32.136 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -37.810 -15.482 -31.012 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -39.360 -15.299 -30.214 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -38.969 -15.300 -33.233 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -39.431 -16.704 -32.291 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -41.038 -14.123 -32.478 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -41.374 -15.584 -33.385 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -41.768 -16.827 -31.283 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -41.367 -15.402 -30.345 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -43.802 -15.857 -30.726 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -43.279 -14.285 -31.095 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -43.563 -15.400 -32.343 1.00 20.00 H new ATOM 1149 N GLN A 63 -40.423 -11.951 -31.616 1.00 20.00 N ATOM 1150 CA GLN A 63 -41.694 -11.292 -31.389 1.00 20.00 C ATOM 1151 C GLN A 63 -42.795 -12.015 -32.150 1.00 20.00 C ATOM 1152 O GLN A 63 -42.791 -11.971 -33.392 1.00 20.00 O ATOM 1153 CB GLN A 63 -41.618 -9.813 -31.784 1.00 20.00 C ATOM 1154 CG GLN A 63 -41.051 -9.564 -33.173 1.00 20.00 C ATOM 1155 CD GLN A 63 -40.968 -8.089 -33.517 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -41.078 -7.704 -34.679 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -40.774 -7.251 -32.508 1.00 20.00 N ATOM 1158 OXT GLN A 63 -43.648 -12.654 -31.500 1.00 20.00 O ATOM 0 H GLN A 63 -39.959 -11.689 -32.486 1.00 20.00 H new ATOM 0 HA GLN A 63 -41.930 -11.333 -30.326 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -42.618 -9.383 -31.730 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -41.004 -9.285 -31.054 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -40.056 -10.005 -33.239 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -41.673 -10.070 -33.911 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -40.688 -7.609 -31.557 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -40.711 -6.248 -32.683 1.00 20.00 H new TER 1167 GLN A 63