USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS NZ :NH3+ 172:sc= 1.11 (180deg=0.971) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 35:sc= 0.0278 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ -169:sc= 1.2 (180deg=1.16) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 14:sc= 0.689 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00919 USER MOD Single : A 17 GLN : amide:sc= -0.675! C(o=-0.67!,f=-4.4!) USER MOD Single : A 19 ASN : amide:sc= 0.536 K(o=0.54,f=-1) USER MOD Single : A 20 SER OG : rot 27:sc= 0.0193 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00185 K(o=-0.0018,f=-0.81) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= 2.29 (180deg=1.73) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 159:sc= -0.15 (180deg=-0.72) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -0.0367 (180deg=-0.262) USER MOD Single : A 56 MET CE :methyl 159:sc= 0 (180deg=-0.474) USER MOD Single : A 58 LYS NZ :NH3+ -123:sc= 0.697 (180deg=0.0378) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00978 USER MOD Single : A 62 LYS NZ :NH3+ -127:sc= -0.696 (180deg=-2.69!) USER MOD Single : A 63 GLN : amide:sc= -3.48! C(o=-3.5!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -33.796 39.926 -0.029 1.00 20.00 N ATOM 2 CA MET A -7 -33.278 39.449 1.270 1.00 20.00 C ATOM 3 C MET A -7 -32.437 38.193 1.072 1.00 20.00 C ATOM 4 O MET A -7 -32.956 37.077 1.111 1.00 20.00 O ATOM 5 CB MET A -7 -34.442 39.157 2.223 1.00 20.00 C ATOM 6 CG MET A -7 -34.005 38.760 3.622 1.00 20.00 C ATOM 7 SD MET A -7 -33.162 40.097 4.488 1.00 20.00 S ATOM 8 CE MET A -7 -32.698 39.270 6.006 1.00 20.00 C ATOM 0 H1 MET A -7 -34.368 40.782 0.118 1.00 20.00 H new ATOM 0 H2 MET A -7 -33.000 40.146 -0.661 1.00 20.00 H new ATOM 0 H3 MET A -7 -34.386 39.186 -0.460 1.00 20.00 H new ATOM 0 HA MET A -7 -32.650 40.227 1.705 1.00 20.00 H new ATOM 0 HB2 MET A -7 -35.076 40.041 2.288 1.00 20.00 H new ATOM 0 HB3 MET A -7 -35.052 38.357 1.802 1.00 20.00 H new ATOM 0 HG2 MET A -7 -34.878 38.452 4.198 1.00 20.00 H new ATOM 0 HG3 MET A -7 -33.342 37.897 3.561 1.00 20.00 H new ATOM 0 HE1 MET A -7 -32.165 39.968 6.652 1.00 20.00 H new ATOM 0 HE2 MET A -7 -33.594 38.915 6.516 1.00 20.00 H new ATOM 0 HE3 MET A -7 -32.052 38.423 5.776 1.00 20.00 H new ATOM 20 N ASP A -6 -31.142 38.376 0.847 1.00 20.00 N ATOM 21 CA ASP A -6 -30.233 37.256 0.626 1.00 20.00 C ATOM 22 C ASP A -6 -29.108 37.271 1.652 1.00 20.00 C ATOM 23 O ASP A -6 -28.008 37.750 1.378 1.00 20.00 O ATOM 24 CB ASP A -6 -29.646 37.294 -0.793 1.00 20.00 C ATOM 25 CG ASP A -6 -30.675 37.011 -1.871 1.00 20.00 C ATOM 26 OD1 ASP A -6 -30.882 35.825 -2.212 1.00 20.00 O ATOM 27 OD2 ASP A -6 -31.277 37.975 -2.396 1.00 20.00 O ATOM 0 H ASP A -6 -30.695 39.292 0.813 1.00 20.00 H new ATOM 0 HA ASP A -6 -30.805 36.335 0.739 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -29.203 38.274 -0.970 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -28.841 36.563 -0.866 1.00 20.00 H new ATOM 32 N TYR A -5 -29.398 36.761 2.842 1.00 20.00 N ATOM 33 CA TYR A -5 -28.416 36.703 3.919 1.00 20.00 C ATOM 34 C TYR A -5 -28.533 35.372 4.653 1.00 20.00 C ATOM 35 O TYR A -5 -28.750 35.337 5.868 1.00 20.00 O ATOM 36 CB TYR A -5 -28.621 37.850 4.921 1.00 20.00 C ATOM 37 CG TYR A -5 -28.570 39.237 4.318 1.00 20.00 C ATOM 38 CD1 TYR A -5 -27.356 39.869 4.079 1.00 20.00 C ATOM 39 CD2 TYR A -5 -29.737 39.917 3.996 1.00 20.00 C ATOM 40 CE1 TYR A -5 -27.309 41.138 3.535 1.00 20.00 C ATOM 41 CE2 TYR A -5 -29.697 41.185 3.454 1.00 20.00 C ATOM 42 CZ TYR A -5 -28.483 41.791 3.226 1.00 20.00 C ATOM 43 OH TYR A -5 -28.444 43.058 2.687 1.00 20.00 O ATOM 0 H TYR A -5 -30.311 36.379 3.087 1.00 20.00 H new ATOM 0 HA TYR A -5 -27.425 36.801 3.476 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -29.586 37.717 5.411 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -27.858 37.778 5.696 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -26.435 39.360 4.322 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -30.692 39.445 4.173 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -26.358 41.616 3.353 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -30.615 41.700 3.210 1.00 20.00 H new ATOM 0 HH TYR A -5 -29.358 43.374 2.527 1.00 20.00 H new ATOM 53 N LYS A -4 -28.403 34.277 3.918 1.00 20.00 N ATOM 54 CA LYS A -4 -28.553 32.954 4.505 1.00 20.00 C ATOM 55 C LYS A -4 -27.571 31.962 3.895 1.00 20.00 C ATOM 56 O LYS A -4 -27.139 32.119 2.752 1.00 20.00 O ATOM 57 CB LYS A -4 -30.003 32.463 4.354 1.00 20.00 C ATOM 58 CG LYS A -4 -30.582 32.589 2.946 1.00 20.00 C ATOM 59 CD LYS A -4 -30.114 31.470 2.030 1.00 20.00 C ATOM 60 CE LYS A -4 -30.663 31.636 0.623 1.00 20.00 C ATOM 61 NZ LYS A -4 -32.144 31.511 0.577 1.00 20.00 N ATOM 0 H LYS A -4 -28.195 34.278 2.919 1.00 20.00 H new ATOM 0 HA LYS A -4 -28.323 33.026 5.568 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -30.051 31.417 4.658 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -30.635 33.024 5.042 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -31.671 32.580 3.001 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -30.292 33.550 2.520 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -29.025 31.457 1.997 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -30.433 30.510 2.435 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -30.371 32.611 0.234 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -30.217 30.886 -0.030 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -32.456 31.444 -0.413 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -32.436 30.655 1.091 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -32.577 32.346 1.021 1.00 20.00 H new ATOM 75 N ASP A -3 -27.206 30.953 4.673 1.00 20.00 N ATOM 76 CA ASP A -3 -26.284 29.918 4.210 1.00 20.00 C ATOM 77 C ASP A -3 -26.909 28.541 4.372 1.00 20.00 C ATOM 78 O ASP A -3 -26.506 27.581 3.712 1.00 20.00 O ATOM 79 CB ASP A -3 -24.959 29.967 4.984 1.00 20.00 C ATOM 80 CG ASP A -3 -24.182 31.246 4.756 1.00 20.00 C ATOM 81 OD1 ASP A -3 -24.450 32.242 5.460 1.00 20.00 O ATOM 82 OD2 ASP A -3 -23.293 31.261 3.878 1.00 20.00 O ATOM 0 H ASP A -3 -27.534 30.826 5.631 1.00 20.00 H new ATOM 0 HA ASP A -3 -26.081 30.106 3.156 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -25.164 29.859 6.049 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -24.342 29.118 4.690 1.00 20.00 H new ATOM 87 N ASP A -2 -27.890 28.457 5.257 1.00 20.00 N ATOM 88 CA ASP A -2 -28.554 27.193 5.554 1.00 20.00 C ATOM 89 C ASP A -2 -29.860 27.077 4.780 1.00 20.00 C ATOM 90 O ASP A -2 -30.108 26.063 4.122 1.00 20.00 O ATOM 91 CB ASP A -2 -28.821 27.085 7.059 1.00 20.00 C ATOM 92 CG ASP A -2 -29.630 25.858 7.428 1.00 20.00 C ATOM 93 OD1 ASP A -2 -29.146 24.728 7.202 1.00 20.00 O ATOM 94 OD2 ASP A -2 -30.754 26.017 7.950 1.00 20.00 O ATOM 0 H ASP A -2 -28.247 29.253 5.786 1.00 20.00 H new ATOM 0 HA ASP A -2 -27.900 26.377 5.248 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -27.870 27.060 7.591 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -29.350 27.977 7.394 1.00 20.00 H new ATOM 99 N ASP A -1 -30.671 28.130 4.856 1.00 20.00 N ATOM 100 CA ASP A -1 -31.978 28.191 4.191 1.00 20.00 C ATOM 101 C ASP A -1 -32.986 27.296 4.913 1.00 20.00 C ATOM 102 O ASP A -1 -32.851 26.069 4.941 1.00 20.00 O ATOM 103 CB ASP A -1 -31.876 27.812 2.708 1.00 20.00 C ATOM 104 CG ASP A -1 -33.172 28.042 1.961 1.00 20.00 C ATOM 105 OD1 ASP A -1 -34.048 27.158 2.000 1.00 20.00 O ATOM 106 OD2 ASP A -1 -33.321 29.116 1.330 1.00 20.00 O ATOM 0 H ASP A -1 -30.441 28.972 5.383 1.00 20.00 H new ATOM 0 HA ASP A -1 -32.329 29.222 4.240 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -31.083 28.395 2.241 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -31.593 26.763 2.623 1.00 20.00 H new ATOM 111 N ASP A 0 -34.012 27.929 5.473 1.00 20.00 N ATOM 112 CA ASP A 0 -34.939 27.269 6.394 1.00 20.00 C ATOM 113 C ASP A 0 -35.920 26.343 5.687 1.00 20.00 C ATOM 114 O ASP A 0 -36.764 25.721 6.331 1.00 20.00 O ATOM 115 CB ASP A 0 -35.719 28.305 7.205 1.00 20.00 C ATOM 116 CG ASP A 0 -34.826 29.159 8.078 1.00 20.00 C ATOM 117 OD1 ASP A 0 -34.343 28.658 9.117 1.00 20.00 O ATOM 118 OD2 ASP A 0 -34.608 30.340 7.731 1.00 20.00 O ATOM 0 H ASP A 0 -34.226 28.912 5.304 1.00 20.00 H new ATOM 0 HA ASP A 0 -34.326 26.657 7.056 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -36.276 28.948 6.524 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -36.450 27.794 7.831 1.00 20.00 H new ATOM 123 N LYS A 1 -35.820 26.240 4.373 1.00 20.00 N ATOM 124 CA LYS A 1 -36.680 25.330 3.633 1.00 20.00 C ATOM 125 C LYS A 1 -36.035 23.954 3.559 1.00 20.00 C ATOM 126 O LYS A 1 -36.592 23.026 2.968 1.00 20.00 O ATOM 127 CB LYS A 1 -36.970 25.852 2.221 1.00 20.00 C ATOM 128 CG LYS A 1 -37.931 27.038 2.178 1.00 20.00 C ATOM 129 CD LYS A 1 -37.246 28.319 1.718 1.00 20.00 C ATOM 130 CE LYS A 1 -36.506 29.015 2.852 1.00 20.00 C ATOM 131 NZ LYS A 1 -35.703 30.166 2.363 1.00 20.00 N ATOM 0 H LYS A 1 -35.161 26.768 3.801 1.00 20.00 H new ATOM 0 HA LYS A 1 -37.630 25.259 4.163 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -36.030 26.143 1.753 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -37.385 25.040 1.624 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -38.758 26.809 1.506 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -38.359 27.193 3.169 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -36.544 28.086 0.917 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -37.990 28.998 1.302 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -37.224 29.362 3.595 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -35.851 28.301 3.351 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -35.324 30.695 3.175 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -34.916 29.817 1.779 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -36.306 30.793 1.793 1.00 20.00 H new ATOM 145 N ASN A 2 -34.850 23.841 4.169 1.00 20.00 N ATOM 146 CA ASN A 2 -34.080 22.598 4.179 1.00 20.00 C ATOM 147 C ASN A 2 -33.726 22.186 2.763 1.00 20.00 C ATOM 148 O ASN A 2 -33.617 21.001 2.444 1.00 20.00 O ATOM 149 CB ASN A 2 -34.840 21.477 4.899 1.00 20.00 C ATOM 150 CG ASN A 2 -34.810 21.642 6.405 1.00 20.00 C ATOM 151 OD1 ASN A 2 -33.910 21.137 7.075 1.00 20.00 O ATOM 152 ND2 ASN A 2 -35.790 22.345 6.951 1.00 20.00 N ATOM 0 H ASN A 2 -34.401 24.609 4.668 1.00 20.00 H new ATOM 0 HA ASN A 2 -33.157 22.776 4.730 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -35.875 21.464 4.557 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -34.404 20.515 4.632 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -35.817 22.484 7.961 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -36.518 22.748 6.361 1.00 20.00 H new ATOM 159 N ARG A 3 -33.535 23.186 1.924 1.00 20.00 N ATOM 160 CA ARG A 3 -33.226 22.976 0.526 1.00 20.00 C ATOM 161 C ARG A 3 -31.725 22.781 0.339 1.00 20.00 C ATOM 162 O ARG A 3 -30.984 23.732 0.098 1.00 20.00 O ATOM 163 CB ARG A 3 -33.739 24.173 -0.283 1.00 20.00 C ATOM 164 CG ARG A 3 -33.312 24.192 -1.741 1.00 20.00 C ATOM 165 CD ARG A 3 -33.896 25.396 -2.465 1.00 20.00 C ATOM 166 NE ARG A 3 -33.737 26.633 -1.694 1.00 20.00 N ATOM 167 CZ ARG A 3 -34.217 27.817 -2.076 1.00 20.00 C ATOM 168 NH1 ARG A 3 -34.797 27.952 -3.263 1.00 20.00 N ATOM 169 NH2 ARG A 3 -34.103 28.872 -1.278 1.00 20.00 N ATOM 0 H ARG A 3 -33.590 24.168 2.195 1.00 20.00 H new ATOM 0 HA ARG A 3 -33.720 22.072 0.168 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -34.828 24.183 -0.239 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -33.393 25.090 0.194 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -32.224 24.217 -1.805 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -33.639 23.275 -2.231 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -33.409 25.508 -3.434 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -34.955 25.224 -2.659 1.00 20.00 H new ATOM 0 HE ARG A 3 -33.228 26.585 -0.811 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -34.877 27.148 -3.886 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -35.163 28.859 -3.552 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -33.647 28.778 -0.370 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -34.471 29.776 -1.573 1.00 20.00 H new ATOM 183 N ALA A 4 -31.276 21.546 0.484 1.00 20.00 N ATOM 184 CA ALA A 4 -29.875 21.222 0.277 1.00 20.00 C ATOM 185 C ALA A 4 -29.636 20.892 -1.189 1.00 20.00 C ATOM 186 O ALA A 4 -30.429 20.179 -1.808 1.00 20.00 O ATOM 187 CB ALA A 4 -29.453 20.064 1.169 1.00 20.00 C ATOM 0 H ALA A 4 -31.861 20.752 0.744 1.00 20.00 H new ATOM 0 HA ALA A 4 -29.268 22.087 0.546 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -28.401 19.838 0.998 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -29.600 20.337 2.214 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -30.055 19.186 0.935 1.00 20.00 H new ATOM 193 N LEU A 5 -28.554 21.417 -1.747 1.00 20.00 N ATOM 194 CA LEU A 5 -28.252 21.218 -3.158 1.00 20.00 C ATOM 195 C LEU A 5 -27.214 20.116 -3.329 1.00 20.00 C ATOM 196 O LEU A 5 -26.563 20.009 -4.370 1.00 20.00 O ATOM 197 CB LEU A 5 -27.745 22.520 -3.802 1.00 20.00 C ATOM 198 CG LEU A 5 -28.725 23.708 -3.822 1.00 20.00 C ATOM 199 CD1 LEU A 5 -30.120 23.273 -4.254 1.00 20.00 C ATOM 200 CD2 LEU A 5 -28.773 24.404 -2.469 1.00 20.00 C ATOM 0 H LEU A 5 -27.871 21.984 -1.245 1.00 20.00 H new ATOM 0 HA LEU A 5 -29.173 20.921 -3.660 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -26.843 22.832 -3.275 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -27.455 22.301 -4.829 1.00 20.00 H new ATOM 0 HG LEU A 5 -28.355 24.422 -4.558 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -30.786 24.136 -4.257 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -30.074 22.847 -5.256 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -30.499 22.525 -3.558 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -29.473 25.238 -2.514 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -29.100 23.696 -1.707 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -27.780 24.776 -2.216 1.00 20.00 H new ATOM 212 N SER A 6 -27.064 19.303 -2.301 1.00 20.00 N ATOM 213 CA SER A 6 -26.122 18.203 -2.325 1.00 20.00 C ATOM 214 C SER A 6 -26.845 16.872 -2.118 1.00 20.00 C ATOM 215 O SER A 6 -27.618 16.718 -1.170 1.00 20.00 O ATOM 216 CB SER A 6 -25.058 18.417 -1.247 1.00 20.00 C ATOM 217 OG SER A 6 -25.652 18.736 0.003 1.00 20.00 O ATOM 0 H SER A 6 -27.589 19.386 -1.431 1.00 20.00 H new ATOM 0 HA SER A 6 -25.635 18.170 -3.300 1.00 20.00 H new ATOM 0 HB2 SER A 6 -24.452 17.516 -1.146 1.00 20.00 H new ATOM 0 HB3 SER A 6 -24.386 19.220 -1.549 1.00 20.00 H new ATOM 0 HG SER A 6 -26.493 18.243 0.101 1.00 20.00 H new ATOM 223 N PRO A 7 -26.621 15.899 -3.017 1.00 20.00 N ATOM 224 CA PRO A 7 -27.257 14.583 -2.932 1.00 20.00 C ATOM 225 C PRO A 7 -26.789 13.795 -1.711 1.00 20.00 C ATOM 226 O PRO A 7 -25.595 13.526 -1.548 1.00 20.00 O ATOM 227 CB PRO A 7 -26.822 13.879 -4.223 1.00 20.00 C ATOM 228 CG PRO A 7 -25.580 14.582 -4.644 1.00 20.00 C ATOM 229 CD PRO A 7 -25.734 16.007 -4.189 1.00 20.00 C ATOM 0 HA PRO A 7 -28.339 14.664 -2.826 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -26.637 12.819 -4.051 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -27.594 13.948 -4.990 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -24.700 14.122 -4.194 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -25.450 14.530 -5.725 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -24.774 16.451 -3.926 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -26.172 16.632 -4.967 1.00 20.00 H new ATOM 237 N MET A 8 -27.731 13.426 -0.855 1.00 20.00 N ATOM 238 CA MET A 8 -27.419 12.674 0.354 1.00 20.00 C ATOM 239 C MET A 8 -27.325 11.185 0.048 1.00 20.00 C ATOM 240 O MET A 8 -28.097 10.377 0.563 1.00 20.00 O ATOM 241 CB MET A 8 -28.477 12.928 1.429 1.00 20.00 C ATOM 242 CG MET A 8 -28.543 14.378 1.876 1.00 20.00 C ATOM 243 SD MET A 8 -29.850 14.674 3.081 1.00 20.00 S ATOM 244 CE MET A 8 -29.619 16.422 3.388 1.00 20.00 C ATOM 0 H MET A 8 -28.722 13.636 -0.975 1.00 20.00 H new ATOM 0 HA MET A 8 -26.453 13.012 0.729 1.00 20.00 H new ATOM 0 HB2 MET A 8 -29.453 12.628 1.047 1.00 20.00 H new ATOM 0 HB3 MET A 8 -28.266 12.298 2.293 1.00 20.00 H new ATOM 0 HG2 MET A 8 -27.584 14.665 2.308 1.00 20.00 H new ATOM 0 HG3 MET A 8 -28.705 15.015 1.007 1.00 20.00 H new ATOM 0 HE1 MET A 8 -30.354 16.764 4.116 1.00 20.00 H new ATOM 0 HE2 MET A 8 -28.615 16.594 3.777 1.00 20.00 H new ATOM 0 HE3 MET A 8 -29.746 16.975 2.457 1.00 20.00 H new ATOM 254 N VAL A 9 -26.376 10.836 -0.802 1.00 20.00 N ATOM 255 CA VAL A 9 -26.178 9.454 -1.208 1.00 20.00 C ATOM 256 C VAL A 9 -25.192 8.758 -0.271 1.00 20.00 C ATOM 257 O VAL A 9 -24.323 9.411 0.314 1.00 20.00 O ATOM 258 CB VAL A 9 -25.672 9.373 -2.671 1.00 20.00 C ATOM 259 CG1 VAL A 9 -24.296 10.011 -2.815 1.00 20.00 C ATOM 260 CG2 VAL A 9 -25.652 7.934 -3.170 1.00 20.00 C ATOM 0 H VAL A 9 -25.725 11.496 -1.228 1.00 20.00 H new ATOM 0 HA VAL A 9 -27.140 8.944 -1.149 1.00 20.00 H new ATOM 0 HB VAL A 9 -26.372 9.935 -3.290 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -23.968 9.939 -3.852 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -24.349 11.060 -2.524 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -23.585 9.491 -2.173 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -25.293 7.911 -4.199 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -24.990 7.340 -2.541 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -26.660 7.520 -3.128 1.00 20.00 H new ATOM 270 N SER A 10 -25.354 7.443 -0.128 1.00 20.00 N ATOM 271 CA SER A 10 -24.481 6.603 0.699 1.00 20.00 C ATOM 272 C SER A 10 -24.331 7.159 2.116 1.00 20.00 C ATOM 273 O SER A 10 -23.323 7.784 2.456 1.00 20.00 O ATOM 274 CB SER A 10 -23.105 6.409 0.033 1.00 20.00 C ATOM 275 OG SER A 10 -22.466 7.645 -0.250 1.00 20.00 O ATOM 0 H SER A 10 -26.102 6.923 -0.587 1.00 20.00 H new ATOM 0 HA SER A 10 -24.958 5.627 0.783 1.00 20.00 H new ATOM 0 HB2 SER A 10 -22.468 5.814 0.687 1.00 20.00 H new ATOM 0 HB3 SER A 10 -23.227 5.845 -0.892 1.00 20.00 H new ATOM 0 HG SER A 10 -22.926 8.368 0.226 1.00 20.00 H new ATOM 281 N GLU A 11 -25.340 6.930 2.939 1.00 20.00 N ATOM 282 CA GLU A 11 -25.312 7.385 4.323 1.00 20.00 C ATOM 283 C GLU A 11 -24.618 6.354 5.204 1.00 20.00 C ATOM 284 O GLU A 11 -24.648 5.158 4.915 1.00 20.00 O ATOM 285 CB GLU A 11 -26.731 7.631 4.842 1.00 20.00 C ATOM 286 CG GLU A 11 -27.513 8.653 4.038 1.00 20.00 C ATOM 287 CD GLU A 11 -28.875 8.935 4.635 1.00 20.00 C ATOM 288 OE1 GLU A 11 -29.735 8.028 4.622 1.00 20.00 O ATOM 289 OE2 GLU A 11 -29.094 10.064 5.126 1.00 20.00 O ATOM 0 H GLU A 11 -26.190 6.432 2.675 1.00 20.00 H new ATOM 0 HA GLU A 11 -24.757 8.322 4.360 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -27.277 6.687 4.840 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -26.675 7.964 5.878 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -26.944 9.581 3.983 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -27.634 8.292 3.017 1.00 20.00 H new ATOM 296 N PHE A 12 -23.988 6.830 6.275 1.00 20.00 N ATOM 297 CA PHE A 12 -23.334 5.947 7.240 1.00 20.00 C ATOM 298 C PHE A 12 -24.372 5.118 7.982 1.00 20.00 C ATOM 299 O PHE A 12 -24.076 4.036 8.497 1.00 20.00 O ATOM 300 CB PHE A 12 -22.489 6.750 8.232 1.00 20.00 C ATOM 301 CG PHE A 12 -21.328 7.459 7.591 1.00 20.00 C ATOM 302 CD1 PHE A 12 -21.483 8.726 7.054 1.00 20.00 C ATOM 303 CD2 PHE A 12 -20.082 6.854 7.522 1.00 20.00 C ATOM 304 CE1 PHE A 12 -20.420 9.376 6.460 1.00 20.00 C ATOM 305 CE2 PHE A 12 -19.017 7.501 6.930 1.00 20.00 C ATOM 306 CZ PHE A 12 -19.186 8.763 6.399 1.00 20.00 C ATOM 0 H PHE A 12 -23.916 7.823 6.498 1.00 20.00 H new ATOM 0 HA PHE A 12 -22.671 5.277 6.693 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -23.124 7.484 8.728 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -22.114 6.079 9.005 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -22.447 9.211 7.100 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -19.944 5.866 7.936 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -20.554 10.363 6.044 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -18.051 7.020 6.882 1.00 20.00 H new ATOM 0 HZ PHE A 12 -18.353 9.271 5.936 1.00 20.00 H new ATOM 316 N GLU A 13 -25.586 5.644 8.044 1.00 20.00 N ATOM 317 CA GLU A 13 -26.721 4.889 8.539 1.00 20.00 C ATOM 318 C GLU A 13 -27.309 4.076 7.392 1.00 20.00 C ATOM 319 O GLU A 13 -28.293 4.478 6.765 1.00 20.00 O ATOM 320 CB GLU A 13 -27.780 5.822 9.130 1.00 20.00 C ATOM 321 CG GLU A 13 -27.335 6.532 10.400 1.00 20.00 C ATOM 322 CD GLU A 13 -26.973 5.563 11.504 1.00 20.00 C ATOM 323 OE1 GLU A 13 -27.853 4.785 11.927 1.00 20.00 O ATOM 324 OE2 GLU A 13 -25.812 5.576 11.956 1.00 20.00 O ATOM 0 H GLU A 13 -25.808 6.597 7.755 1.00 20.00 H new ATOM 0 HA GLU A 13 -26.390 4.220 9.333 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -28.050 6.569 8.383 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -28.680 5.245 9.344 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -26.475 7.164 10.178 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -28.133 7.190 10.744 1.00 20.00 H new ATOM 331 N THR A 14 -26.673 2.951 7.107 1.00 20.00 N ATOM 332 CA THR A 14 -27.031 2.125 5.966 1.00 20.00 C ATOM 333 C THR A 14 -28.371 1.425 6.167 1.00 20.00 C ATOM 334 O THR A 14 -28.570 0.707 7.145 1.00 20.00 O ATOM 335 CB THR A 14 -25.940 1.074 5.689 1.00 20.00 C ATOM 336 OG1 THR A 14 -25.554 0.430 6.908 1.00 20.00 O ATOM 337 CG2 THR A 14 -24.722 1.712 5.040 1.00 20.00 C ATOM 0 H THR A 14 -25.896 2.586 7.658 1.00 20.00 H new ATOM 0 HA THR A 14 -27.120 2.792 5.108 1.00 20.00 H new ATOM 0 HB THR A 14 -26.351 0.334 5.003 1.00 20.00 H new ATOM 0 HG1 THR A 14 -24.861 -0.237 6.720 1.00 20.00 H new ATOM 0 HG21 THR A 14 -23.966 0.948 4.855 1.00 20.00 H new ATOM 0 HG22 THR A 14 -25.012 2.172 4.095 1.00 20.00 H new ATOM 0 HG23 THR A 14 -24.313 2.474 5.704 1.00 20.00 H new ATOM 345 N ILE A 15 -29.284 1.658 5.234 1.00 20.00 N ATOM 346 CA ILE A 15 -30.583 1.009 5.250 1.00 20.00 C ATOM 347 C ILE A 15 -30.613 -0.129 4.233 1.00 20.00 C ATOM 348 O ILE A 15 -30.495 -1.301 4.595 1.00 20.00 O ATOM 349 CB ILE A 15 -31.716 2.012 4.944 1.00 20.00 C ATOM 350 CG1 ILE A 15 -31.699 3.166 5.951 1.00 20.00 C ATOM 351 CG2 ILE A 15 -33.066 1.313 4.962 1.00 20.00 C ATOM 352 CD1 ILE A 15 -32.705 4.254 5.648 1.00 20.00 C ATOM 0 H ILE A 15 -29.145 2.297 4.452 1.00 20.00 H new ATOM 0 HA ILE A 15 -30.744 0.608 6.251 1.00 20.00 H new ATOM 0 HB ILE A 15 -31.552 2.421 3.947 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -31.895 2.770 6.947 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -30.701 3.603 5.973 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -33.853 2.035 4.744 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -33.078 0.525 4.209 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -33.237 0.876 5.946 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -32.634 5.036 6.404 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -32.497 4.678 4.666 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -33.710 3.833 5.656 1.00 20.00 H new ATOM 364 N GLU A 16 -30.734 0.223 2.958 1.00 20.00 N ATOM 365 CA GLU A 16 -30.754 -0.768 1.889 1.00 20.00 C ATOM 366 C GLU A 16 -29.384 -1.408 1.724 1.00 20.00 C ATOM 367 O GLU A 16 -29.266 -2.597 1.428 1.00 20.00 O ATOM 368 CB GLU A 16 -31.194 -0.126 0.577 1.00 20.00 C ATOM 369 CG GLU A 16 -32.682 0.166 0.518 1.00 20.00 C ATOM 370 CD GLU A 16 -33.519 -1.094 0.538 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.744 -1.650 1.632 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.964 -1.533 -0.544 1.00 20.00 O ATOM 0 H GLU A 16 -30.820 1.188 2.639 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.469 -1.545 2.158 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.643 0.803 0.433 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.928 -0.786 -0.249 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.959 0.796 1.363 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.903 0.731 -0.388 1.00 20.00 H new ATOM 379 N GLN A 17 -28.351 -0.605 1.930 1.00 20.00 N ATOM 380 CA GLN A 17 -26.978 -1.079 1.844 1.00 20.00 C ATOM 381 C GLN A 17 -26.710 -2.114 2.932 1.00 20.00 C ATOM 382 O GLN A 17 -25.910 -3.027 2.755 1.00 20.00 O ATOM 383 CB GLN A 17 -25.988 0.087 1.967 1.00 20.00 C ATOM 384 CG GLN A 17 -26.242 1.231 0.990 1.00 20.00 C ATOM 385 CD GLN A 17 -27.318 2.192 1.471 1.00 20.00 C ATOM 386 OE1 GLN A 17 -28.505 2.007 1.200 1.00 20.00 O ATOM 387 NE2 GLN A 17 -26.913 3.230 2.180 1.00 20.00 N ATOM 0 H GLN A 17 -28.439 0.385 2.160 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.838 -1.545 0.869 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.029 0.477 2.984 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -24.978 -0.291 1.811 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -25.314 1.781 0.833 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.535 0.819 0.024 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.921 3.352 2.386 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -27.592 3.910 2.522 1.00 20.00 H new ATOM 396 N GLU A 18 -27.409 -1.979 4.050 1.00 20.00 N ATOM 397 CA GLU A 18 -27.278 -2.929 5.143 1.00 20.00 C ATOM 398 C GLU A 18 -27.991 -4.227 4.790 1.00 20.00 C ATOM 399 O GLU A 18 -27.501 -5.316 5.081 1.00 20.00 O ATOM 400 CB GLU A 18 -27.845 -2.338 6.440 1.00 20.00 C ATOM 401 CG GLU A 18 -27.803 -3.286 7.626 1.00 20.00 C ATOM 402 CD GLU A 18 -28.193 -2.607 8.920 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.341 -1.907 9.504 1.00 20.00 O ATOM 404 OE2 GLU A 18 -29.347 -2.776 9.366 1.00 20.00 O ATOM 0 H GLU A 18 -28.071 -1.222 4.223 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.220 -3.141 5.300 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.286 -1.436 6.690 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.878 -2.035 6.267 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -28.475 -4.124 7.442 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.799 -3.698 7.723 1.00 20.00 H new ATOM 411 N ASN A 19 -29.137 -4.096 4.138 1.00 20.00 N ATOM 412 CA ASN A 19 -29.931 -5.254 3.741 1.00 20.00 C ATOM 413 C ASN A 19 -29.198 -6.079 2.691 1.00 20.00 C ATOM 414 O ASN A 19 -29.242 -7.308 2.714 1.00 20.00 O ATOM 415 CB ASN A 19 -31.303 -4.818 3.214 1.00 20.00 C ATOM 416 CG ASN A 19 -32.166 -4.194 4.296 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.036 -4.525 5.475 1.00 20.00 O ATOM 418 ND2 ASN A 19 -33.053 -3.286 3.911 1.00 20.00 N ATOM 0 H ASN A 19 -29.540 -3.198 3.871 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.082 -5.876 4.623 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.167 -4.102 2.403 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.819 -5.681 2.794 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.655 -2.837 4.601 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.133 -3.037 2.925 1.00 20.00 H new ATOM 425 N SER A 20 -28.503 -5.402 1.783 1.00 20.00 N ATOM 426 CA SER A 20 -27.747 -6.086 0.742 1.00 20.00 C ATOM 427 C SER A 20 -26.522 -6.790 1.328 1.00 20.00 C ATOM 428 O SER A 20 -26.254 -7.950 1.010 1.00 20.00 O ATOM 429 CB SER A 20 -27.343 -5.098 -0.353 1.00 20.00 C ATOM 430 OG SER A 20 -26.895 -3.873 0.201 1.00 20.00 O ATOM 0 H SER A 20 -28.448 -4.384 1.747 1.00 20.00 H new ATOM 0 HA SER A 20 -28.384 -6.850 0.297 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.554 -5.533 -0.966 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.192 -4.913 -1.011 1.00 20.00 H new ATOM 0 HG SER A 20 -26.533 -4.032 1.098 1.00 20.00 H new ATOM 436 N TYR A 21 -25.797 -6.100 2.201 1.00 20.00 N ATOM 437 CA TYR A 21 -24.639 -6.694 2.864 1.00 20.00 C ATOM 438 C TYR A 21 -25.054 -7.851 3.770 1.00 20.00 C ATOM 439 O TYR A 21 -24.315 -8.827 3.921 1.00 20.00 O ATOM 440 CB TYR A 21 -23.862 -5.644 3.665 1.00 20.00 C ATOM 441 CG TYR A 21 -22.788 -4.940 2.860 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.509 -5.476 2.763 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.047 -3.747 2.197 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.523 -4.845 2.028 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.066 -3.111 1.459 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.806 -3.662 1.379 1.00 20.00 C ATOM 447 OH TYR A 21 -19.827 -3.031 0.644 1.00 20.00 O ATOM 0 H TYR A 21 -25.988 -5.134 2.466 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.984 -7.087 2.086 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.561 -4.902 4.050 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.401 -6.125 4.528 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.282 -6.402 3.271 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.032 -3.309 2.259 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.535 -5.277 1.962 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.287 -2.186 0.947 1.00 20.00 H new ATOM 0 HH TYR A 21 -20.191 -2.211 0.250 1.00 20.00 H new ATOM 457 N ASN A 22 -26.235 -7.749 4.367 1.00 20.00 N ATOM 458 CA ASN A 22 -26.746 -8.820 5.217 1.00 20.00 C ATOM 459 C ASN A 22 -27.130 -10.026 4.369 1.00 20.00 C ATOM 460 O ASN A 22 -26.934 -11.173 4.775 1.00 20.00 O ATOM 461 CB ASN A 22 -27.955 -8.350 6.032 1.00 20.00 C ATOM 462 CG ASN A 22 -28.389 -9.382 7.059 1.00 20.00 C ATOM 463 OD1 ASN A 22 -27.566 -10.123 7.599 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.682 -9.446 7.334 1.00 20.00 N ATOM 0 H ASN A 22 -26.854 -6.943 4.280 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.955 -9.105 5.911 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.709 -7.417 6.538 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.785 -8.138 5.358 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.026 -10.125 8.013 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.334 -8.816 6.867 1.00 20.00 H new ATOM 471 N GLU A 23 -27.663 -9.755 3.181 1.00 20.00 N ATOM 472 CA GLU A 23 -28.029 -10.805 2.238 1.00 20.00 C ATOM 473 C GLU A 23 -26.798 -11.627 1.864 1.00 20.00 C ATOM 474 O GLU A 23 -26.864 -12.853 1.741 1.00 20.00 O ATOM 475 CB GLU A 23 -28.654 -10.186 0.982 1.00 20.00 C ATOM 476 CG GLU A 23 -29.228 -11.200 0.004 1.00 20.00 C ATOM 477 CD GLU A 23 -30.470 -11.889 0.533 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.505 -11.211 0.695 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.431 -13.117 0.761 1.00 20.00 O ATOM 0 H GLU A 23 -27.852 -8.810 2.848 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.760 -11.464 2.707 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.446 -9.501 1.284 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.898 -9.592 0.469 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.468 -10.698 -0.933 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -28.470 -11.950 -0.221 1.00 20.00 H new ATOM 486 N TRP A 24 -25.672 -10.942 1.690 1.00 20.00 N ATOM 487 CA TRP A 24 -24.412 -11.609 1.392 1.00 20.00 C ATOM 488 C TRP A 24 -23.909 -12.363 2.616 1.00 20.00 C ATOM 489 O TRP A 24 -23.405 -13.477 2.500 1.00 20.00 O ATOM 490 CB TRP A 24 -23.357 -10.603 0.921 1.00 20.00 C ATOM 491 CG TRP A 24 -23.747 -9.865 -0.324 1.00 20.00 C ATOM 492 CD1 TRP A 24 -24.521 -10.331 -1.345 1.00 20.00 C ATOM 493 CD2 TRP A 24 -23.365 -8.533 -0.686 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.654 -9.369 -2.314 1.00 20.00 N ATOM 495 CE2 TRP A 24 -23.951 -8.257 -1.936 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.585 -7.546 -0.077 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -23.786 -7.036 -2.583 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.421 -6.335 -0.722 1.00 20.00 C ATOM 499 CH2 TRP A 24 -23.018 -6.089 -1.964 1.00 20.00 C ATOM 0 H TRP A 24 -25.608 -9.926 1.750 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.589 -12.321 0.586 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.172 -9.883 1.718 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.419 -11.129 0.743 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.965 -11.315 -1.385 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -25.190 -9.467 -3.176 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.119 -7.727 0.880 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -24.248 -6.843 -3.540 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.822 -5.565 -0.260 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.869 -5.132 -2.443 1.00 20.00 H new ATOM 510 N LEU A 25 -24.069 -11.759 3.789 1.00 20.00 N ATOM 511 CA LEU A 25 -23.643 -12.376 5.044 1.00 20.00 C ATOM 512 C LEU A 25 -24.372 -13.696 5.269 1.00 20.00 C ATOM 513 O LEU A 25 -23.760 -14.711 5.608 1.00 20.00 O ATOM 514 CB LEU A 25 -23.918 -11.428 6.217 1.00 20.00 C ATOM 515 CG LEU A 25 -23.448 -11.924 7.588 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.928 -11.930 7.668 1.00 20.00 C ATOM 517 CD2 LEU A 25 -24.040 -11.063 8.694 1.00 20.00 C ATOM 0 H LEU A 25 -24.493 -10.838 3.899 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.573 -12.573 4.983 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.436 -10.473 6.010 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.990 -11.240 6.266 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.798 -12.948 7.722 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.617 -12.286 8.650 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.526 -12.589 6.899 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.551 -10.919 7.512 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.697 -11.428 9.662 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.720 -10.030 8.561 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -25.128 -11.114 8.652 1.00 20.00 H new ATOM 529 N ARG A 26 -25.681 -13.670 5.055 1.00 20.00 N ATOM 530 CA ARG A 26 -26.533 -14.839 5.246 1.00 20.00 C ATOM 531 C ARG A 26 -26.106 -15.985 4.334 1.00 20.00 C ATOM 532 O ARG A 26 -26.158 -17.152 4.722 1.00 20.00 O ATOM 533 CB ARG A 26 -27.995 -14.458 4.972 1.00 20.00 C ATOM 534 CG ARG A 26 -29.002 -15.590 5.160 1.00 20.00 C ATOM 535 CD ARG A 26 -29.209 -15.948 6.628 1.00 20.00 C ATOM 536 NE ARG A 26 -28.109 -16.742 7.179 1.00 20.00 N ATOM 537 CZ ARG A 26 -27.600 -16.565 8.399 1.00 20.00 C ATOM 538 NH1 ARG A 26 -28.058 -15.596 9.182 1.00 20.00 N ATOM 539 NH2 ARG A 26 -26.638 -17.366 8.838 1.00 20.00 N ATOM 0 H ARG A 26 -26.183 -12.838 4.744 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.433 -15.178 6.277 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.270 -13.634 5.631 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.073 -14.088 3.950 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -29.957 -15.299 4.722 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.658 -16.472 4.619 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.316 -15.032 7.209 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.141 -16.504 6.734 1.00 20.00 H new ATOM 0 HE ARG A 26 -27.708 -17.475 6.594 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -28.803 -14.982 8.852 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -27.665 -15.465 10.114 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -26.288 -18.117 8.243 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -26.248 -17.231 9.771 1.00 20.00 H new ATOM 553 N ALA A 27 -25.663 -15.645 3.131 1.00 20.00 N ATOM 554 CA ALA A 27 -25.267 -16.648 2.153 1.00 20.00 C ATOM 555 C ALA A 27 -23.823 -17.087 2.356 1.00 20.00 C ATOM 556 O ALA A 27 -23.494 -18.263 2.199 1.00 20.00 O ATOM 557 CB ALA A 27 -25.455 -16.113 0.746 1.00 20.00 C ATOM 0 H ALA A 27 -25.569 -14.682 2.809 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.906 -17.520 2.295 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.155 -16.873 0.025 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.503 -15.859 0.591 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.842 -15.222 0.610 1.00 20.00 H new ATOM 563 N LYS A 28 -22.964 -16.139 2.704 1.00 20.00 N ATOM 564 CA LYS A 28 -21.548 -16.426 2.873 1.00 20.00 C ATOM 565 C LYS A 28 -21.324 -17.280 4.116 1.00 20.00 C ATOM 566 O LYS A 28 -20.661 -18.314 4.054 1.00 20.00 O ATOM 567 CB LYS A 28 -20.729 -15.120 2.951 1.00 20.00 C ATOM 568 CG LYS A 28 -19.213 -15.322 2.934 1.00 20.00 C ATOM 569 CD LYS A 28 -18.674 -15.767 4.288 1.00 20.00 C ATOM 570 CE LYS A 28 -17.302 -16.411 4.166 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.803 -16.901 5.477 1.00 20.00 N ATOM 0 H LYS A 28 -23.223 -15.167 2.874 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.205 -16.987 2.003 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.007 -14.481 2.113 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.002 -14.588 3.862 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -18.956 -16.067 2.181 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.728 -14.391 2.640 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.614 -14.907 4.956 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.369 -16.474 4.741 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.352 -17.242 3.463 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -16.597 -15.688 3.756 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.992 -17.534 5.325 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.507 -16.092 6.060 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.561 -17.420 5.965 1.00 20.00 H new ATOM 585 N VAL A 29 -21.874 -16.845 5.241 1.00 20.00 N ATOM 586 CA VAL A 29 -21.702 -17.568 6.491 1.00 20.00 C ATOM 587 C VAL A 29 -22.580 -18.810 6.509 1.00 20.00 C ATOM 588 O VAL A 29 -22.220 -19.826 7.107 1.00 20.00 O ATOM 589 CB VAL A 29 -22.023 -16.681 7.713 1.00 20.00 C ATOM 590 CG1 VAL A 29 -21.877 -17.460 9.011 1.00 20.00 C ATOM 591 CG2 VAL A 29 -21.124 -15.454 7.725 1.00 20.00 C ATOM 0 H VAL A 29 -22.440 -16.000 5.313 1.00 20.00 H new ATOM 0 HA VAL A 29 -20.655 -17.864 6.556 1.00 20.00 H new ATOM 0 HB VAL A 29 -23.060 -16.356 7.632 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -22.109 -16.809 9.854 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -22.563 -18.307 9.006 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -20.853 -17.823 9.104 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -21.361 -14.838 8.592 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -20.081 -15.767 7.777 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -21.284 -14.877 6.814 1.00 20.00 H new ATOM 601 N ALA A 30 -23.714 -18.715 5.819 1.00 20.00 N ATOM 602 CA ALA A 30 -24.684 -19.803 5.719 1.00 20.00 C ATOM 603 C ALA A 30 -25.205 -20.207 7.095 1.00 20.00 C ATOM 604 O ALA A 30 -26.248 -19.720 7.531 1.00 20.00 O ATOM 605 CB ALA A 30 -24.088 -20.993 4.980 1.00 20.00 C ATOM 0 H ALA A 30 -23.988 -17.875 5.310 1.00 20.00 H new ATOM 0 HA ALA A 30 -25.535 -19.443 5.141 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -24.828 -21.791 4.918 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -23.797 -20.688 3.975 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -23.211 -21.353 5.518 1.00 20.00 H new ATOM 611 N THR A 31 -24.474 -21.069 7.787 1.00 20.00 N ATOM 612 CA THR A 31 -24.847 -21.473 9.129 1.00 20.00 C ATOM 613 C THR A 31 -23.743 -21.129 10.124 1.00 20.00 C ATOM 614 O THR A 31 -23.971 -20.391 11.087 1.00 20.00 O ATOM 615 CB THR A 31 -25.169 -22.981 9.204 1.00 20.00 C ATOM 616 OG1 THR A 31 -24.158 -23.737 8.527 1.00 20.00 O ATOM 617 CG2 THR A 31 -26.528 -23.282 8.595 1.00 20.00 C ATOM 0 H THR A 31 -23.618 -21.501 7.438 1.00 20.00 H new ATOM 0 HA THR A 31 -25.749 -20.921 9.391 1.00 20.00 H new ATOM 0 HB THR A 31 -25.192 -23.267 10.256 1.00 20.00 H new ATOM 0 HG1 THR A 31 -24.371 -24.692 8.582 1.00 20.00 H new ATOM 0 HG21 THR A 31 -26.728 -24.351 8.662 1.00 20.00 H new ATOM 0 HG22 THR A 31 -27.299 -22.734 9.137 1.00 20.00 H new ATOM 0 HG23 THR A 31 -26.534 -22.977 7.549 1.00 20.00 H new ATOM 625 N SER A 32 -22.543 -21.643 9.886 1.00 20.00 N ATOM 626 CA SER A 32 -21.434 -21.421 10.806 1.00 20.00 C ATOM 627 C SER A 32 -20.108 -21.240 10.070 1.00 20.00 C ATOM 628 O SER A 32 -19.041 -21.501 10.628 1.00 20.00 O ATOM 629 CB SER A 32 -21.329 -22.588 11.793 1.00 20.00 C ATOM 630 OG SER A 32 -22.539 -22.763 12.516 1.00 20.00 O ATOM 0 H SER A 32 -22.313 -22.212 9.071 1.00 20.00 H new ATOM 0 HA SER A 32 -21.638 -20.498 11.349 1.00 20.00 H new ATOM 0 HB2 SER A 32 -21.090 -23.504 11.252 1.00 20.00 H new ATOM 0 HB3 SER A 32 -20.510 -22.406 12.489 1.00 20.00 H new ATOM 0 HG SER A 32 -22.443 -23.515 13.137 1.00 20.00 H new ATOM 636 N LEU A 33 -20.165 -20.779 8.828 1.00 20.00 N ATOM 637 CA LEU A 33 -18.949 -20.550 8.055 1.00 20.00 C ATOM 638 C LEU A 33 -18.427 -19.135 8.304 1.00 20.00 C ATOM 639 O LEU A 33 -18.278 -18.329 7.380 1.00 20.00 O ATOM 640 CB LEU A 33 -19.198 -20.773 6.559 1.00 20.00 C ATOM 641 CG LEU A 33 -17.941 -20.787 5.683 1.00 20.00 C ATOM 642 CD1 LEU A 33 -17.058 -21.978 6.021 1.00 20.00 C ATOM 643 CD2 LEU A 33 -18.317 -20.805 4.213 1.00 20.00 C ATOM 0 H LEU A 33 -21.031 -20.558 8.337 1.00 20.00 H new ATOM 0 HA LEU A 33 -18.196 -21.267 8.381 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -19.721 -21.721 6.431 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -19.865 -19.990 6.197 1.00 20.00 H new ATOM 0 HG LEU A 33 -17.376 -19.877 5.885 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -16.172 -21.966 5.386 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -16.756 -21.922 7.067 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -17.612 -22.901 5.853 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -17.412 -20.815 3.606 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -18.907 -21.696 3.999 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -18.903 -19.917 3.976 1.00 20.00 H new ATOM 655 N ALA A 34 -18.160 -18.839 9.565 1.00 20.00 N ATOM 656 CA ALA A 34 -17.651 -17.536 9.959 1.00 20.00 C ATOM 657 C ALA A 34 -16.126 -17.532 9.948 1.00 20.00 C ATOM 658 O ALA A 34 -15.483 -17.488 11.000 1.00 20.00 O ATOM 659 CB ALA A 34 -18.181 -17.153 11.332 1.00 20.00 C ATOM 0 H ALA A 34 -18.289 -19.490 10.340 1.00 20.00 H new ATOM 0 HA ALA A 34 -17.998 -16.795 9.239 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -17.791 -16.175 11.613 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -19.270 -17.115 11.304 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -17.863 -17.895 12.065 1.00 20.00 H new ATOM 665 N ASP A 35 -15.558 -17.606 8.750 1.00 20.00 N ATOM 666 CA ASP A 35 -14.109 -17.583 8.578 1.00 20.00 C ATOM 667 C ASP A 35 -13.536 -16.279 9.115 1.00 20.00 C ATOM 668 O ASP A 35 -14.161 -15.227 8.989 1.00 20.00 O ATOM 669 CB ASP A 35 -13.731 -17.728 7.099 1.00 20.00 C ATOM 670 CG ASP A 35 -14.218 -19.021 6.479 1.00 20.00 C ATOM 671 OD1 ASP A 35 -13.647 -20.089 6.782 1.00 20.00 O ATOM 672 OD2 ASP A 35 -15.161 -18.967 5.662 1.00 20.00 O ATOM 0 H ASP A 35 -16.082 -17.683 7.878 1.00 20.00 H new ATOM 0 HA ASP A 35 -13.693 -18.423 9.134 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -14.145 -16.888 6.542 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -12.647 -17.672 7.001 1.00 20.00 H new ATOM 677 N PRO A 36 -12.347 -16.335 9.735 1.00 20.00 N ATOM 678 CA PRO A 36 -11.673 -15.146 10.267 1.00 20.00 C ATOM 679 C PRO A 36 -11.185 -14.214 9.160 1.00 20.00 C ATOM 680 O PRO A 36 -9.993 -14.159 8.851 1.00 20.00 O ATOM 681 CB PRO A 36 -10.487 -15.724 11.045 1.00 20.00 C ATOM 682 CG PRO A 36 -10.229 -17.047 10.413 1.00 20.00 C ATOM 683 CD PRO A 36 -11.571 -17.563 9.975 1.00 20.00 C ATOM 0 HA PRO A 36 -12.341 -14.538 10.877 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -9.614 -15.075 10.976 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -10.722 -15.830 12.104 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -9.552 -16.949 9.564 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -9.758 -17.732 11.119 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -11.493 -18.172 9.074 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -12.032 -18.186 10.742 1.00 20.00 H new ATOM 691 N ARG A 37 -12.123 -13.489 8.571 1.00 20.00 N ATOM 692 CA ARG A 37 -11.829 -12.573 7.475 1.00 20.00 C ATOM 693 C ARG A 37 -10.916 -11.441 7.931 1.00 20.00 C ATOM 694 O ARG A 37 -11.137 -10.846 8.988 1.00 20.00 O ATOM 695 CB ARG A 37 -13.124 -11.983 6.918 1.00 20.00 C ATOM 696 CG ARG A 37 -14.077 -13.014 6.340 1.00 20.00 C ATOM 697 CD ARG A 37 -15.313 -12.351 5.759 1.00 20.00 C ATOM 698 NE ARG A 37 -14.977 -11.427 4.675 1.00 20.00 N ATOM 699 CZ ARG A 37 -15.872 -10.868 3.863 1.00 20.00 C ATOM 700 NH1 ARG A 37 -17.169 -11.111 4.025 1.00 20.00 N ATOM 701 NH2 ARG A 37 -15.464 -10.059 2.893 1.00 20.00 N ATOM 0 H ARG A 37 -13.107 -13.517 8.837 1.00 20.00 H new ATOM 0 HA ARG A 37 -11.319 -13.141 6.697 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -13.634 -11.438 7.713 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -12.876 -11.258 6.143 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -13.570 -13.588 5.564 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -14.370 -13.719 7.118 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -15.994 -13.116 5.386 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -15.840 -11.811 6.546 1.00 20.00 H new ATOM 0 HE ARG A 37 -13.994 -11.196 4.532 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -17.483 -11.728 4.774 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -17.851 -10.680 3.400 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -14.469 -9.868 2.773 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -16.145 -9.628 2.268 1.00 20.00 H new ATOM 715 N PRO A 38 -9.864 -11.143 7.155 1.00 20.00 N ATOM 716 CA PRO A 38 -8.993 -9.999 7.421 1.00 20.00 C ATOM 717 C PRO A 38 -9.738 -8.679 7.232 1.00 20.00 C ATOM 718 O PRO A 38 -10.481 -8.517 6.260 1.00 20.00 O ATOM 719 CB PRO A 38 -7.868 -10.132 6.382 1.00 20.00 C ATOM 720 CG PRO A 38 -7.979 -11.522 5.852 1.00 20.00 C ATOM 721 CD PRO A 38 -9.427 -11.901 5.973 1.00 20.00 C ATOM 0 HA PRO A 38 -8.626 -9.994 8.447 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -7.981 -9.398 5.585 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -6.892 -9.962 6.836 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -7.649 -11.571 4.814 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -7.348 -12.207 6.419 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -9.993 -11.625 5.083 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -9.554 -12.975 6.111 1.00 20.00 H new ATOM 729 N ALA A 39 -9.537 -7.754 8.167 1.00 20.00 N ATOM 730 CA ALA A 39 -10.185 -6.443 8.140 1.00 20.00 C ATOM 731 C ALA A 39 -11.707 -6.561 8.212 1.00 20.00 C ATOM 732 O ALA A 39 -12.408 -6.457 7.202 1.00 20.00 O ATOM 733 CB ALA A 39 -9.760 -5.653 6.909 1.00 20.00 C ATOM 0 H ALA A 39 -8.919 -7.891 8.967 1.00 20.00 H new ATOM 0 HA ALA A 39 -9.858 -5.900 9.027 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -10.255 -4.682 6.911 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -8.680 -5.510 6.924 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -10.041 -6.201 6.010 1.00 20.00 H new ATOM 739 N ILE A 40 -12.207 -6.783 9.418 1.00 20.00 N ATOM 740 CA ILE A 40 -13.644 -6.845 9.658 1.00 20.00 C ATOM 741 C ILE A 40 -14.038 -5.902 10.786 1.00 20.00 C ATOM 742 O ILE A 40 -13.301 -5.749 11.763 1.00 20.00 O ATOM 743 CB ILE A 40 -14.123 -8.273 10.000 1.00 20.00 C ATOM 744 CG1 ILE A 40 -13.198 -8.931 11.026 1.00 20.00 C ATOM 745 CG2 ILE A 40 -14.223 -9.112 8.739 1.00 20.00 C ATOM 746 CD1 ILE A 40 -13.695 -10.270 11.520 1.00 20.00 C ATOM 0 H ILE A 40 -11.636 -6.924 10.252 1.00 20.00 H new ATOM 0 HA ILE A 40 -14.128 -6.540 8.730 1.00 20.00 H new ATOM 0 HB ILE A 40 -15.115 -8.205 10.446 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -12.211 -9.061 10.582 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -13.079 -8.261 11.877 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -14.562 -10.116 8.996 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -14.935 -8.653 8.052 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -13.245 -9.170 8.262 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -12.988 -10.676 12.244 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -14.668 -10.144 11.994 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -13.787 -10.957 10.679 1.00 20.00 H new ATOM 758 N PRO A 41 -15.199 -5.241 10.658 1.00 20.00 N ATOM 759 CA PRO A 41 -15.682 -4.292 11.662 1.00 20.00 C ATOM 760 C PRO A 41 -16.028 -4.980 12.981 1.00 20.00 C ATOM 761 O PRO A 41 -16.924 -5.823 13.039 1.00 20.00 O ATOM 762 CB PRO A 41 -16.942 -3.693 11.023 1.00 20.00 C ATOM 763 CG PRO A 41 -17.377 -4.692 10.006 1.00 20.00 C ATOM 764 CD PRO A 41 -16.126 -5.370 9.519 1.00 20.00 C ATOM 0 HA PRO A 41 -14.927 -3.547 11.913 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -17.720 -3.525 11.768 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -16.729 -2.729 10.562 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -18.067 -5.415 10.441 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -17.902 -4.206 9.183 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -16.308 -6.414 9.266 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -15.731 -4.889 8.624 1.00 20.00 H new ATOM 772 N HIS A 42 -15.329 -4.601 14.041 1.00 20.00 N ATOM 773 CA HIS A 42 -15.513 -5.229 15.342 1.00 20.00 C ATOM 774 C HIS A 42 -16.616 -4.530 16.128 1.00 20.00 C ATOM 775 O HIS A 42 -17.313 -5.159 16.922 1.00 20.00 O ATOM 776 CB HIS A 42 -14.195 -5.212 16.132 1.00 20.00 C ATOM 777 CG HIS A 42 -14.287 -5.838 17.491 1.00 20.00 C ATOM 778 ND1 HIS A 42 -14.350 -5.102 18.653 1.00 20.00 N ATOM 779 CD2 HIS A 42 -14.330 -7.138 17.871 1.00 20.00 C ATOM 780 CE1 HIS A 42 -14.427 -5.918 19.686 1.00 20.00 C ATOM 781 NE2 HIS A 42 -14.420 -7.160 19.241 1.00 20.00 N ATOM 0 H HIS A 42 -14.628 -3.860 14.026 1.00 20.00 H new ATOM 0 HA HIS A 42 -15.812 -6.265 15.185 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -13.431 -5.733 15.555 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -13.863 -4.180 16.241 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -14.299 -7.997 17.218 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -14.486 -5.620 20.722 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -14.473 -7.998 19.819 1.00 20.00 H new ATOM 790 N ASP A 43 -16.790 -3.237 15.881 1.00 20.00 N ATOM 791 CA ASP A 43 -17.768 -2.446 16.625 1.00 20.00 C ATOM 792 C ASP A 43 -19.184 -2.873 16.279 1.00 20.00 C ATOM 793 O ASP A 43 -20.071 -2.873 17.131 1.00 20.00 O ATOM 794 CB ASP A 43 -17.597 -0.949 16.355 1.00 20.00 C ATOM 795 CG ASP A 43 -16.231 -0.443 16.762 1.00 20.00 C ATOM 796 OD1 ASP A 43 -15.997 -0.266 17.976 1.00 20.00 O ATOM 797 OD2 ASP A 43 -15.378 -0.236 15.871 1.00 20.00 O ATOM 0 H ASP A 43 -16.271 -2.715 15.176 1.00 20.00 H new ATOM 0 HA ASP A 43 -17.592 -2.627 17.685 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -17.753 -0.754 15.294 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -18.363 -0.395 16.897 1.00 20.00 H new ATOM 802 N GLU A 44 -19.384 -3.262 15.027 1.00 20.00 N ATOM 803 CA GLU A 44 -20.690 -3.711 14.570 1.00 20.00 C ATOM 804 C GLU A 44 -21.057 -5.016 15.256 1.00 20.00 C ATOM 805 O GLU A 44 -22.193 -5.212 15.686 1.00 20.00 O ATOM 806 CB GLU A 44 -20.705 -3.900 13.050 1.00 20.00 C ATOM 807 CG GLU A 44 -20.364 -2.639 12.272 1.00 20.00 C ATOM 808 CD GLU A 44 -21.219 -1.456 12.672 1.00 20.00 C ATOM 809 OE1 GLU A 44 -22.362 -1.345 12.183 1.00 20.00 O ATOM 810 OE2 GLU A 44 -20.755 -0.626 13.476 1.00 20.00 O ATOM 0 H GLU A 44 -18.658 -3.275 14.311 1.00 20.00 H new ATOM 0 HA GLU A 44 -21.423 -2.947 14.827 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -19.995 -4.683 12.784 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -21.692 -4.248 12.746 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -19.314 -2.393 12.430 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -20.490 -2.829 11.206 1.00 20.00 H new ATOM 817 N VAL A 45 -20.073 -5.896 15.375 1.00 20.00 N ATOM 818 CA VAL A 45 -20.268 -7.178 16.025 1.00 20.00 C ATOM 819 C VAL A 45 -20.445 -6.993 17.525 1.00 20.00 C ATOM 820 O VAL A 45 -21.370 -7.535 18.112 1.00 20.00 O ATOM 821 CB VAL A 45 -19.085 -8.127 15.760 1.00 20.00 C ATOM 822 CG1 VAL A 45 -19.286 -9.460 16.468 1.00 20.00 C ATOM 823 CG2 VAL A 45 -18.899 -8.330 14.266 1.00 20.00 C ATOM 0 H VAL A 45 -19.127 -5.741 15.027 1.00 20.00 H new ATOM 0 HA VAL A 45 -21.170 -7.624 15.606 1.00 20.00 H new ATOM 0 HB VAL A 45 -18.181 -7.671 16.163 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -18.436 -10.112 16.264 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -19.366 -9.293 17.542 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -20.200 -9.931 16.105 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -18.059 -9.003 14.092 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -19.805 -8.763 13.842 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -18.699 -7.370 13.790 1.00 20.00 H new ATOM 833 N GLU A 46 -19.565 -6.198 18.123 1.00 20.00 N ATOM 834 CA GLU A 46 -19.589 -5.949 19.565 1.00 20.00 C ATOM 835 C GLU A 46 -20.937 -5.389 20.014 1.00 20.00 C ATOM 836 O GLU A 46 -21.466 -5.782 21.056 1.00 20.00 O ATOM 837 CB GLU A 46 -18.462 -4.985 19.952 1.00 20.00 C ATOM 838 CG GLU A 46 -18.460 -4.590 21.419 1.00 20.00 C ATOM 839 CD GLU A 46 -17.269 -3.736 21.788 1.00 20.00 C ATOM 840 OE1 GLU A 46 -17.151 -2.608 21.267 1.00 20.00 O ATOM 841 OE2 GLU A 46 -16.447 -4.188 22.609 1.00 20.00 O ATOM 0 H GLU A 46 -18.818 -5.710 17.629 1.00 20.00 H new ATOM 0 HA GLU A 46 -19.438 -6.902 20.072 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -17.505 -5.446 19.710 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -18.544 -4.084 19.344 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -19.377 -4.046 21.647 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -18.462 -5.490 22.034 1.00 20.00 H new ATOM 848 N ARG A 47 -21.488 -4.483 19.217 1.00 20.00 N ATOM 849 CA ARG A 47 -22.771 -3.858 19.522 1.00 20.00 C ATOM 850 C ARG A 47 -23.880 -4.908 19.603 1.00 20.00 C ATOM 851 O ARG A 47 -24.777 -4.822 20.441 1.00 20.00 O ATOM 852 CB ARG A 47 -23.103 -2.814 18.451 1.00 20.00 C ATOM 853 CG ARG A 47 -24.396 -2.053 18.695 1.00 20.00 C ATOM 854 CD ARG A 47 -24.643 -1.026 17.600 1.00 20.00 C ATOM 855 NE ARG A 47 -24.767 -1.650 16.281 1.00 20.00 N ATOM 856 CZ ARG A 47 -23.928 -1.437 15.266 1.00 20.00 C ATOM 857 NH1 ARG A 47 -22.885 -0.628 15.414 1.00 20.00 N ATOM 858 NH2 ARG A 47 -24.126 -2.040 14.102 1.00 20.00 N ATOM 0 H ARG A 47 -21.063 -4.162 18.347 1.00 20.00 H new ATOM 0 HA ARG A 47 -22.700 -3.366 20.492 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -22.282 -2.100 18.390 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -23.166 -3.311 17.483 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -25.231 -2.753 18.737 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -24.350 -1.553 19.663 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -25.552 -0.468 17.824 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -23.824 -0.307 17.586 1.00 20.00 H new ATOM 0 HE ARG A 47 -25.547 -2.290 16.128 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -22.721 -0.165 16.308 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -22.248 -0.470 14.634 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -24.921 -2.668 13.982 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -23.484 -1.876 13.327 1.00 20.00 H new ATOM 872 N ARG A 48 -23.797 -5.905 18.733 1.00 20.00 N ATOM 873 CA ARG A 48 -24.792 -6.971 18.681 1.00 20.00 C ATOM 874 C ARG A 48 -24.450 -8.072 19.682 1.00 20.00 C ATOM 875 O ARG A 48 -25.332 -8.662 20.306 1.00 20.00 O ATOM 876 CB ARG A 48 -24.851 -7.546 17.267 1.00 20.00 C ATOM 877 CG ARG A 48 -25.100 -6.491 16.200 1.00 20.00 C ATOM 878 CD ARG A 48 -24.870 -7.035 14.799 1.00 20.00 C ATOM 879 NE ARG A 48 -25.106 -6.013 13.778 1.00 20.00 N ATOM 880 CZ ARG A 48 -24.354 -5.852 12.689 1.00 20.00 C ATOM 881 NH1 ARG A 48 -23.327 -6.659 12.460 1.00 20.00 N ATOM 882 NH2 ARG A 48 -24.638 -4.884 11.825 1.00 20.00 N ATOM 0 H ARG A 48 -23.046 -5.999 18.049 1.00 20.00 H new ATOM 0 HA ARG A 48 -25.766 -6.559 18.944 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -23.913 -8.058 17.051 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -25.641 -8.295 17.219 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -26.123 -6.125 16.284 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -24.442 -5.639 16.371 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -23.848 -7.405 14.715 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -25.531 -7.884 14.625 1.00 20.00 H new ATOM 0 HE ARG A 48 -25.897 -5.383 13.908 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -23.109 -7.407 13.118 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -22.755 -6.532 11.625 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -25.431 -4.265 11.995 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -24.063 -4.760 10.991 1.00 20.00 H new ATOM 896 N MET A 49 -23.158 -8.320 19.836 1.00 20.00 N ATOM 897 CA MET A 49 -22.658 -9.350 20.737 1.00 20.00 C ATOM 898 C MET A 49 -23.026 -9.025 22.176 1.00 20.00 C ATOM 899 O MET A 49 -23.373 -9.912 22.952 1.00 20.00 O ATOM 900 CB MET A 49 -21.140 -9.468 20.601 1.00 20.00 C ATOM 901 CG MET A 49 -20.555 -10.677 21.308 1.00 20.00 C ATOM 902 SD MET A 49 -21.182 -12.237 20.654 1.00 20.00 S ATOM 903 CE MET A 49 -20.643 -12.125 18.948 1.00 20.00 C ATOM 0 H MET A 49 -22.425 -7.813 19.340 1.00 20.00 H new ATOM 0 HA MET A 49 -23.118 -10.301 20.468 1.00 20.00 H new ATOM 0 HB2 MET A 49 -20.882 -9.517 19.543 1.00 20.00 H new ATOM 0 HB3 MET A 49 -20.677 -8.566 21.001 1.00 20.00 H new ATOM 0 HG2 MET A 49 -19.469 -10.658 21.213 1.00 20.00 H new ATOM 0 HG3 MET A 49 -20.783 -10.616 22.372 1.00 20.00 H new ATOM 0 HE1 MET A 49 -20.611 -13.123 18.510 1.00 20.00 H new ATOM 0 HE2 MET A 49 -21.341 -11.505 18.386 1.00 20.00 H new ATOM 0 HE3 MET A 49 -19.649 -11.679 18.909 1.00 20.00 H new ATOM 913 N ALA A 50 -22.953 -7.744 22.520 1.00 20.00 N ATOM 914 CA ALA A 50 -23.320 -7.280 23.849 1.00 20.00 C ATOM 915 C ALA A 50 -24.766 -7.636 24.170 1.00 20.00 C ATOM 916 O ALA A 50 -25.085 -8.038 25.289 1.00 20.00 O ATOM 917 CB ALA A 50 -23.107 -5.779 23.960 1.00 20.00 C ATOM 0 H ALA A 50 -22.640 -7.005 21.890 1.00 20.00 H new ATOM 0 HA ALA A 50 -22.679 -7.781 24.574 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -23.386 -5.445 24.959 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -22.058 -5.546 23.779 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -23.725 -5.268 23.221 1.00 20.00 H new ATOM 923 N GLU A 51 -25.628 -7.502 23.170 1.00 20.00 N ATOM 924 CA GLU A 51 -27.036 -7.844 23.314 1.00 20.00 C ATOM 925 C GLU A 51 -27.200 -9.338 23.568 1.00 20.00 C ATOM 926 O GLU A 51 -27.943 -9.755 24.459 1.00 20.00 O ATOM 927 CB GLU A 51 -27.810 -7.443 22.055 1.00 20.00 C ATOM 928 CG GLU A 51 -27.912 -5.942 21.842 1.00 20.00 C ATOM 929 CD GLU A 51 -28.669 -5.249 22.955 1.00 20.00 C ATOM 930 OE1 GLU A 51 -29.885 -5.496 23.093 1.00 20.00 O ATOM 931 OE2 GLU A 51 -28.052 -4.460 23.696 1.00 20.00 O ATOM 0 H GLU A 51 -25.374 -7.156 22.245 1.00 20.00 H new ATOM 0 HA GLU A 51 -27.436 -7.297 24.168 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -27.327 -7.891 21.186 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -28.815 -7.860 22.111 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -26.910 -5.519 21.771 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -28.409 -5.746 20.892 1.00 20.00 H new ATOM 938 N ARG A 52 -26.481 -10.139 22.794 1.00 20.00 N ATOM 939 CA ARG A 52 -26.553 -11.588 22.917 1.00 20.00 C ATOM 940 C ARG A 52 -25.950 -12.048 24.239 1.00 20.00 C ATOM 941 O ARG A 52 -26.477 -12.949 24.890 1.00 20.00 O ATOM 942 CB ARG A 52 -25.843 -12.265 21.739 1.00 20.00 C ATOM 943 CG ARG A 52 -26.535 -12.046 20.399 1.00 20.00 C ATOM 944 CD ARG A 52 -27.919 -12.677 20.375 1.00 20.00 C ATOM 945 NE ARG A 52 -28.671 -12.308 19.177 1.00 20.00 N ATOM 946 CZ ARG A 52 -29.856 -12.822 18.851 1.00 20.00 C ATOM 947 NH1 ARG A 52 -30.386 -13.800 19.575 1.00 20.00 N ATOM 948 NH2 ARG A 52 -30.500 -12.369 17.785 1.00 20.00 N ATOM 0 H ARG A 52 -25.840 -9.809 22.073 1.00 20.00 H new ATOM 0 HA ARG A 52 -27.603 -11.879 22.900 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -24.822 -11.888 21.677 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -25.777 -13.336 21.933 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -26.618 -10.977 20.202 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -25.927 -12.471 19.601 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -27.823 -13.762 20.423 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -28.474 -12.367 21.261 1.00 20.00 H new ATOM 0 HE ARG A 52 -28.263 -11.613 18.551 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -29.886 -14.163 20.387 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -31.294 -14.189 19.320 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -30.088 -11.629 17.217 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -31.407 -12.761 17.533 1.00 20.00 H new ATOM 962 N PHE A 53 -24.857 -11.408 24.641 1.00 20.00 N ATOM 963 CA PHE A 53 -24.198 -11.733 25.899 1.00 20.00 C ATOM 964 C PHE A 53 -25.098 -11.393 27.080 1.00 20.00 C ATOM 965 O PHE A 53 -25.090 -12.085 28.095 1.00 20.00 O ATOM 966 CB PHE A 53 -22.863 -10.992 26.020 1.00 20.00 C ATOM 967 CG PHE A 53 -22.134 -11.275 27.307 1.00 20.00 C ATOM 968 CD1 PHE A 53 -21.615 -12.534 27.569 1.00 20.00 C ATOM 969 CD2 PHE A 53 -21.978 -10.280 28.261 1.00 20.00 C ATOM 970 CE1 PHE A 53 -20.956 -12.794 28.755 1.00 20.00 C ATOM 971 CE2 PHE A 53 -21.320 -10.536 29.447 1.00 20.00 C ATOM 972 CZ PHE A 53 -20.807 -11.794 29.695 1.00 20.00 C ATOM 0 H PHE A 53 -24.409 -10.660 24.112 1.00 20.00 H new ATOM 0 HA PHE A 53 -24.000 -12.805 25.910 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -22.225 -11.270 25.181 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -23.043 -9.920 25.942 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -21.727 -13.320 26.837 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -22.376 -9.294 28.074 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -20.557 -13.779 28.947 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -21.206 -9.752 30.181 1.00 20.00 H new ATOM 0 HZ PHE A 53 -20.291 -11.995 30.622 1.00 20.00 H new ATOM 982 N ALA A 54 -25.882 -10.333 26.937 1.00 20.00 N ATOM 983 CA ALA A 54 -26.820 -9.930 27.976 1.00 20.00 C ATOM 984 C ALA A 54 -27.852 -11.025 28.222 1.00 20.00 C ATOM 985 O ALA A 54 -28.361 -11.182 29.334 1.00 20.00 O ATOM 986 CB ALA A 54 -27.504 -8.628 27.592 1.00 20.00 C ATOM 0 H ALA A 54 -25.887 -9.736 26.110 1.00 20.00 H new ATOM 0 HA ALA A 54 -26.265 -9.771 28.901 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -28.202 -8.338 28.377 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -26.755 -7.847 27.467 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -28.046 -8.764 26.656 1.00 20.00 H new ATOM 992 N LYS A 55 -28.152 -11.784 27.176 1.00 20.00 N ATOM 993 CA LYS A 55 -29.066 -12.911 27.282 1.00 20.00 C ATOM 994 C LYS A 55 -28.340 -14.127 27.850 1.00 20.00 C ATOM 995 O LYS A 55 -28.848 -14.801 28.747 1.00 20.00 O ATOM 996 CB LYS A 55 -29.660 -13.249 25.912 1.00 20.00 C ATOM 997 CG LYS A 55 -30.427 -12.099 25.272 1.00 20.00 C ATOM 998 CD LYS A 55 -31.640 -11.706 26.095 1.00 20.00 C ATOM 999 CE LYS A 55 -32.456 -10.619 25.409 1.00 20.00 C ATOM 1000 NZ LYS A 55 -33.002 -11.072 24.101 1.00 20.00 N ATOM 0 H LYS A 55 -27.773 -11.637 26.240 1.00 20.00 H new ATOM 0 HA LYS A 55 -29.877 -12.636 27.956 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -28.855 -13.553 25.243 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -30.328 -14.104 26.017 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -29.767 -11.238 25.162 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -30.745 -12.387 24.270 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -32.267 -12.582 26.261 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -31.317 -11.355 27.075 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -33.277 -10.317 26.059 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -31.831 -9.739 25.256 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -33.746 -10.415 23.789 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -32.239 -11.092 23.395 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -33.404 -12.026 24.204 1.00 20.00 H new ATOM 1014 N MET A 56 -27.139 -14.378 27.329 1.00 20.00 N ATOM 1015 CA MET A 56 -26.323 -15.520 27.746 1.00 20.00 C ATOM 1016 C MET A 56 -25.979 -15.433 29.229 1.00 20.00 C ATOM 1017 O MET A 56 -25.930 -16.443 29.927 1.00 20.00 O ATOM 1018 CB MET A 56 -25.020 -15.577 26.936 1.00 20.00 C ATOM 1019 CG MET A 56 -25.213 -15.782 25.440 1.00 20.00 C ATOM 1020 SD MET A 56 -23.673 -15.585 24.519 1.00 20.00 S ATOM 1021 CE MET A 56 -24.234 -15.906 22.849 1.00 20.00 C ATOM 0 H MET A 56 -26.705 -13.799 26.610 1.00 20.00 H new ATOM 0 HA MET A 56 -26.906 -16.423 27.565 1.00 20.00 H new ATOM 0 HB2 MET A 56 -24.468 -14.650 27.094 1.00 20.00 H new ATOM 0 HB3 MET A 56 -24.402 -16.387 27.324 1.00 20.00 H new ATOM 0 HG2 MET A 56 -25.616 -16.779 25.261 1.00 20.00 H new ATOM 0 HG3 MET A 56 -25.949 -15.069 25.070 1.00 20.00 H new ATOM 0 HE1 MET A 56 -23.529 -15.473 22.139 1.00 20.00 H new ATOM 0 HE2 MET A 56 -24.298 -16.982 22.687 1.00 20.00 H new ATOM 0 HE3 MET A 56 -25.217 -15.458 22.703 1.00 20.00 H new ATOM 1031 N ARG A 57 -25.753 -14.213 29.698 1.00 20.00 N ATOM 1032 CA ARG A 57 -25.351 -13.968 31.078 1.00 20.00 C ATOM 1033 C ARG A 57 -26.471 -14.328 32.057 1.00 20.00 C ATOM 1034 O ARG A 57 -26.213 -14.656 33.213 1.00 20.00 O ATOM 1035 CB ARG A 57 -24.945 -12.501 31.241 1.00 20.00 C ATOM 1036 CG ARG A 57 -24.386 -12.155 32.611 1.00 20.00 C ATOM 1037 CD ARG A 57 -23.947 -10.701 32.671 1.00 20.00 C ATOM 1038 NE ARG A 57 -25.038 -9.788 32.327 1.00 20.00 N ATOM 1039 CZ ARG A 57 -24.862 -8.551 31.862 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -23.637 -8.074 31.684 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -25.914 -7.794 31.575 1.00 20.00 N ATOM 0 H ARG A 57 -25.843 -13.367 29.135 1.00 20.00 H new ATOM 0 HA ARG A 57 -24.498 -14.606 31.308 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -24.199 -12.257 30.485 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -25.814 -11.872 31.047 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -25.142 -12.342 33.374 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -23.539 -12.803 32.836 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -23.584 -10.472 33.673 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -23.113 -10.545 31.987 1.00 20.00 H new ATOM 0 HE ARG A 57 -25.995 -10.120 32.451 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -22.827 -8.654 31.903 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -23.505 -7.127 31.328 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -26.857 -8.159 31.710 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -25.779 -6.848 31.219 1.00 20.00 H new ATOM 1055 N LYS A 58 -27.711 -14.271 31.589 1.00 20.00 N ATOM 1056 CA LYS A 58 -28.853 -14.622 32.426 1.00 20.00 C ATOM 1057 C LYS A 58 -29.093 -16.126 32.384 1.00 20.00 C ATOM 1058 O LYS A 58 -29.822 -16.681 33.210 1.00 20.00 O ATOM 1059 CB LYS A 58 -30.112 -13.884 31.967 1.00 20.00 C ATOM 1060 CG LYS A 58 -29.999 -12.369 32.040 1.00 20.00 C ATOM 1061 CD LYS A 58 -31.323 -11.696 31.714 1.00 20.00 C ATOM 1062 CE LYS A 58 -31.214 -10.181 31.788 1.00 20.00 C ATOM 1063 NZ LYS A 58 -30.310 -9.637 30.742 1.00 20.00 N ATOM 0 H LYS A 58 -27.952 -13.987 30.640 1.00 20.00 H new ATOM 0 HA LYS A 58 -28.629 -14.322 33.450 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -30.337 -14.173 30.940 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -30.954 -14.206 32.580 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -29.676 -12.075 33.039 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -29.234 -12.026 31.344 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -31.645 -11.990 30.715 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -32.088 -12.041 32.410 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -32.205 -9.740 31.676 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -30.846 -9.892 32.772 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -29.551 -9.086 31.191 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -29.894 -10.421 30.200 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -30.851 -9.022 30.101 1.00 20.00 H new ATOM 1077 N GLU A 59 -28.464 -16.776 31.419 1.00 20.00 N ATOM 1078 CA GLU A 59 -28.611 -18.206 31.221 1.00 20.00 C ATOM 1079 C GLU A 59 -27.488 -18.953 31.922 1.00 20.00 C ATOM 1080 O GLU A 59 -26.570 -18.345 32.473 1.00 20.00 O ATOM 1081 CB GLU A 59 -28.585 -18.535 29.726 1.00 20.00 C ATOM 1082 CG GLU A 59 -29.756 -17.964 28.948 1.00 20.00 C ATOM 1083 CD GLU A 59 -31.087 -18.486 29.441 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -31.429 -19.643 29.120 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -31.794 -17.746 30.158 1.00 20.00 O ATOM 0 H GLU A 59 -27.837 -16.326 30.752 1.00 20.00 H new ATOM 0 HA GLU A 59 -29.566 -18.517 31.643 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -27.658 -18.156 29.297 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -28.574 -19.618 29.603 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -29.744 -16.877 29.025 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -29.641 -18.210 27.892 1.00 20.00 H new ATOM 1092 N ARG A 60 -27.575 -20.273 31.912 1.00 20.00 N ATOM 1093 CA ARG A 60 -26.500 -21.115 32.410 1.00 20.00 C ATOM 1094 C ARG A 60 -25.529 -21.395 31.276 1.00 20.00 C ATOM 1095 O ARG A 60 -25.594 -22.443 30.634 1.00 20.00 O ATOM 1096 CB ARG A 60 -27.053 -22.430 32.962 1.00 20.00 C ATOM 1097 CG ARG A 60 -27.991 -22.257 34.146 1.00 20.00 C ATOM 1098 CD ARG A 60 -28.606 -23.584 34.568 1.00 20.00 C ATOM 1099 NE ARG A 60 -27.592 -24.605 34.830 1.00 20.00 N ATOM 1100 CZ ARG A 60 -27.713 -25.564 35.747 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -28.797 -25.626 36.512 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -26.749 -26.463 35.895 1.00 20.00 N ATOM 0 H ARG A 60 -28.384 -20.787 31.562 1.00 20.00 H new ATOM 0 HA ARG A 60 -25.986 -20.598 33.220 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -27.582 -22.953 32.165 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -26.220 -23.066 33.261 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -27.445 -21.825 34.984 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -28.782 -21.554 33.885 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -29.208 -23.435 35.464 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -29.279 -23.935 33.786 1.00 20.00 H new ATOM 0 HE ARG A 60 -26.737 -24.581 34.275 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -29.541 -24.938 36.399 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -28.885 -26.362 37.213 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -25.917 -26.420 35.307 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -26.840 -27.198 36.597 1.00 20.00 H new ATOM 1116 N SER A 61 -24.657 -20.438 31.004 1.00 20.00 N ATOM 1117 CA SER A 61 -23.745 -20.535 29.873 1.00 20.00 C ATOM 1118 C SER A 61 -22.396 -19.902 30.200 1.00 20.00 C ATOM 1119 O SER A 61 -21.976 -18.948 29.543 1.00 20.00 O ATOM 1120 CB SER A 61 -24.367 -19.862 28.643 1.00 20.00 C ATOM 1121 OG SER A 61 -25.658 -20.389 28.383 1.00 20.00 O ATOM 0 H SER A 61 -24.560 -19.583 31.551 1.00 20.00 H new ATOM 0 HA SER A 61 -23.576 -21.590 29.656 1.00 20.00 H new ATOM 0 HB2 SER A 61 -24.434 -18.786 28.806 1.00 20.00 H new ATOM 0 HB3 SER A 61 -23.725 -20.014 27.775 1.00 20.00 H new ATOM 0 HG SER A 61 -26.039 -19.947 27.596 1.00 20.00 H new ATOM 1127 N LYS A 62 -21.735 -20.438 31.227 1.00 20.00 N ATOM 1128 CA LYS A 62 -20.403 -19.986 31.634 1.00 20.00 C ATOM 1129 C LYS A 62 -20.418 -18.512 32.035 1.00 20.00 C ATOM 1130 O LYS A 62 -20.166 -17.624 31.217 1.00 20.00 O ATOM 1131 CB LYS A 62 -19.387 -20.228 30.513 1.00 20.00 C ATOM 1132 CG LYS A 62 -17.967 -19.809 30.869 1.00 20.00 C ATOM 1133 CD LYS A 62 -16.963 -20.143 29.769 1.00 20.00 C ATOM 1134 CE LYS A 62 -17.248 -19.405 28.465 1.00 20.00 C ATOM 1135 NZ LYS A 62 -18.290 -20.077 27.642 1.00 20.00 N ATOM 0 H LYS A 62 -22.107 -21.196 31.799 1.00 20.00 H new ATOM 0 HA LYS A 62 -20.104 -20.568 32.506 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -19.389 -21.287 30.256 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -19.704 -19.683 29.624 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -17.946 -18.736 31.061 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -17.667 -20.304 31.792 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -15.959 -19.892 30.111 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -16.978 -21.217 29.584 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -17.569 -18.388 28.690 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -16.327 -19.328 27.887 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -17.926 -20.234 26.681 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -18.536 -20.991 28.072 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -19.138 -19.476 27.597 1.00 20.00 H new ATOM 1149 N GLN A 63 -20.708 -18.261 33.299 1.00 20.00 N ATOM 1150 CA GLN A 63 -20.788 -16.906 33.812 1.00 20.00 C ATOM 1151 C GLN A 63 -19.441 -16.494 34.388 1.00 20.00 C ATOM 1152 O GLN A 63 -19.136 -16.899 35.528 1.00 20.00 O ATOM 1153 CB GLN A 63 -21.873 -16.786 34.892 1.00 20.00 C ATOM 1154 CG GLN A 63 -23.255 -17.257 34.453 1.00 20.00 C ATOM 1155 CD GLN A 63 -23.384 -18.771 34.393 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -24.124 -19.309 33.575 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -22.678 -19.469 35.270 1.00 20.00 N ATOM 1158 OXT GLN A 63 -18.691 -15.772 33.701 1.00 20.00 O ATOM 0 H GLN A 63 -20.893 -18.985 33.994 1.00 20.00 H new ATOM 0 HA GLN A 63 -21.053 -16.244 32.988 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -21.566 -17.364 35.764 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -21.941 -15.745 35.207 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -24.001 -16.863 35.143 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -23.478 -16.841 33.470 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -22.073 -18.988 35.936 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -22.740 -20.487 35.280 1.00 20.00 H new TER 1167 GLN A 63