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 Set 1.1: A 55 LYS NZ :NH3+ -153:sc= 0.256 (180deg=-1.26!) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.597! K(o=-0.34!,f=-2.8) USER MOD Single : A 1 LYS NZ :NH3+ 163:sc= 0.985 (180deg=0.267) USER MOD Single : A 2 ASN : amide:sc= 0.625 K(o=0.62,f=-0.36) USER MOD Single : A 6 SER OG : rot 180:sc= 0.00744 USER MOD Single : A 8 MET CE :methyl -154:sc= -0.309 (180deg=-1.15) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl -164:sc= -0.0608 (180deg=-0.556) USER MOD Single : A -7 MET N :NH3+ -175:sc= 0 (180deg=-0.0145) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 26:sc= 0.352 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.884 K(o=0.88,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= -0.054 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= -0.0655 (180deg=-0.329) 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 HE2:sc= 1.15 K(o=1.1,f=-4.2!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -120:sc= -0.543 (180deg=-2.12!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -33.018 -2.506 -47.229 1.00 20.00 N ATOM 2 CA MET A -7 -34.203 -1.916 -47.893 1.00 20.00 C ATOM 3 C MET A -7 -35.487 -2.314 -47.174 1.00 20.00 C ATOM 4 O MET A -7 -36.065 -1.508 -46.445 1.00 20.00 O ATOM 5 CB MET A -7 -34.274 -2.351 -49.362 1.00 20.00 C ATOM 6 CG MET A -7 -33.181 -1.753 -50.231 1.00 20.00 C ATOM 7 SD MET A -7 -33.240 0.052 -50.282 1.00 20.00 S ATOM 8 CE MET A -7 -34.844 0.327 -51.029 1.00 20.00 C ATOM 0 H1 MET A -7 -32.153 -2.153 -47.685 1.00 20.00 H new ATOM 0 H2 MET A -7 -33.014 -2.238 -46.224 1.00 20.00 H new ATOM 0 H3 MET A -7 -33.054 -3.542 -47.311 1.00 20.00 H new ATOM 0 HA MET A -7 -34.101 -0.832 -47.850 1.00 20.00 H new ATOM 0 HB2 MET A -7 -34.212 -3.438 -49.413 1.00 20.00 H new ATOM 0 HB3 MET A -7 -35.245 -2.068 -49.769 1.00 20.00 H new ATOM 0 HG2 MET A -7 -32.209 -2.070 -49.854 1.00 20.00 H new ATOM 0 HG3 MET A -7 -33.273 -2.144 -51.244 1.00 20.00 H new ATOM 0 HE1 MET A -7 -34.908 1.355 -51.385 1.00 20.00 H new ATOM 0 HE2 MET A -7 -34.977 -0.356 -51.868 1.00 20.00 H new ATOM 0 HE3 MET A -7 -35.625 0.149 -50.290 1.00 20.00 H new ATOM 20 N ASP A -6 -35.920 -3.563 -47.376 1.00 20.00 N ATOM 21 CA ASP A -6 -37.175 -4.060 -46.801 1.00 20.00 C ATOM 22 C ASP A -6 -38.334 -3.159 -47.202 1.00 20.00 C ATOM 23 O ASP A -6 -39.146 -2.763 -46.361 1.00 20.00 O ATOM 24 CB ASP A -6 -37.088 -4.158 -45.271 1.00 20.00 C ATOM 25 CG ASP A -6 -36.218 -5.304 -44.800 1.00 20.00 C ATOM 26 OD1 ASP A -6 -34.986 -5.125 -44.702 1.00 20.00 O ATOM 27 OD2 ASP A -6 -36.762 -6.392 -44.524 1.00 20.00 O ATOM 0 H ASP A -6 -35.417 -4.251 -47.936 1.00 20.00 H new ATOM 0 HA ASP A -6 -37.349 -5.061 -47.195 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -36.693 -3.223 -44.874 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -38.091 -4.279 -44.863 1.00 20.00 H new ATOM 32 N TYR A -5 -38.394 -2.847 -48.498 1.00 20.00 N ATOM 33 CA TYR A -5 -39.375 -1.911 -49.051 1.00 20.00 C ATOM 34 C TYR A -5 -39.135 -0.506 -48.505 1.00 20.00 C ATOM 35 O TYR A -5 -38.487 0.318 -49.151 1.00 20.00 O ATOM 36 CB TYR A -5 -40.812 -2.379 -48.767 1.00 20.00 C ATOM 37 CG TYR A -5 -41.882 -1.447 -49.297 1.00 20.00 C ATOM 38 CD1 TYR A -5 -42.041 -1.240 -50.661 1.00 20.00 C ATOM 39 CD2 TYR A -5 -42.734 -0.776 -48.428 1.00 20.00 C ATOM 40 CE1 TYR A -5 -43.016 -0.389 -51.141 1.00 20.00 C ATOM 41 CE2 TYR A -5 -43.710 0.075 -48.903 1.00 20.00 C ATOM 42 CZ TYR A -5 -43.848 0.264 -50.258 1.00 20.00 C ATOM 43 OH TYR A -5 -44.821 1.115 -50.735 1.00 20.00 O ATOM 0 H TYR A -5 -37.761 -3.238 -49.196 1.00 20.00 H new ATOM 0 HA TYR A -5 -39.249 -1.884 -50.133 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -40.955 -3.366 -49.207 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -40.941 -2.488 -47.690 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -41.392 -1.752 -51.356 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -42.630 -0.923 -47.363 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -43.126 -0.236 -52.204 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -44.363 0.590 -48.214 1.00 20.00 H new ATOM 0 HH TYR A -5 -45.322 1.494 -49.983 1.00 20.00 H new ATOM 53 N LYS A -4 -39.651 -0.250 -47.314 1.00 20.00 N ATOM 54 CA LYS A -4 -39.420 1.004 -46.618 1.00 20.00 C ATOM 55 C LYS A -4 -39.645 0.775 -45.127 1.00 20.00 C ATOM 56 O LYS A -4 -39.932 1.696 -44.361 1.00 20.00 O ATOM 57 CB LYS A -4 -40.345 2.102 -47.164 1.00 20.00 C ATOM 58 CG LYS A -4 -39.931 3.511 -46.762 1.00 20.00 C ATOM 59 CD LYS A -4 -40.790 4.568 -47.437 1.00 20.00 C ATOM 60 CE LYS A -4 -40.334 5.971 -47.066 1.00 20.00 C ATOM 61 NZ LYS A -4 -41.117 7.018 -47.775 1.00 20.00 N ATOM 0 H LYS A -4 -40.242 -0.906 -46.803 1.00 20.00 H new ATOM 0 HA LYS A -4 -38.396 1.340 -46.779 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -40.368 2.037 -48.252 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -41.360 1.917 -46.812 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -40.008 3.617 -45.680 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -38.885 3.671 -47.024 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -40.742 4.442 -48.519 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -41.832 4.433 -47.146 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -40.433 6.111 -45.990 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -39.277 6.084 -47.307 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -40.774 7.958 -47.493 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -41.003 6.901 -48.802 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -42.123 6.928 -47.526 1.00 20.00 H new ATOM 75 N ASP A -3 -39.501 -0.481 -44.727 1.00 20.00 N ATOM 76 CA ASP A -3 -39.725 -0.887 -43.349 1.00 20.00 C ATOM 77 C ASP A -3 -38.454 -1.481 -42.764 1.00 20.00 C ATOM 78 O ASP A -3 -38.465 -2.563 -42.171 1.00 20.00 O ATOM 79 CB ASP A -3 -40.872 -1.901 -43.261 1.00 20.00 C ATOM 80 CG ASP A -3 -42.224 -1.280 -43.546 1.00 20.00 C ATOM 81 OD1 ASP A -3 -42.611 -1.198 -44.729 1.00 20.00 O ATOM 82 OD2 ASP A -3 -42.909 -0.869 -42.585 1.00 20.00 O ATOM 0 H ASP A -3 -39.227 -1.243 -45.347 1.00 20.00 H new ATOM 0 HA ASP A -3 -40.002 -0.005 -42.772 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -40.692 -2.710 -43.969 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -40.883 -2.345 -42.266 1.00 20.00 H new ATOM 87 N ASP A -2 -37.353 -0.772 -42.955 1.00 20.00 N ATOM 88 CA ASP A -2 -36.075 -1.180 -42.389 1.00 20.00 C ATOM 89 C ASP A -2 -36.042 -0.835 -40.909 1.00 20.00 C ATOM 90 O ASP A -2 -35.627 -1.639 -40.075 1.00 20.00 O ATOM 91 CB ASP A -2 -34.915 -0.502 -43.120 1.00 20.00 C ATOM 92 CG ASP A -2 -33.576 -0.771 -42.466 1.00 20.00 C ATOM 93 OD1 ASP A -2 -33.140 -1.941 -42.440 1.00 20.00 O ATOM 94 OD2 ASP A -2 -32.945 0.193 -41.988 1.00 20.00 O ATOM 0 H ASP A -2 -37.318 0.090 -43.498 1.00 20.00 H new ATOM 0 HA ASP A -2 -35.964 -2.258 -42.510 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -34.887 -0.851 -44.152 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -35.090 0.573 -43.152 1.00 20.00 H new ATOM 99 N ASP A -1 -36.505 0.363 -40.592 1.00 20.00 N ATOM 100 CA ASP A -1 -36.667 0.774 -39.206 1.00 20.00 C ATOM 101 C ASP A -1 -38.140 0.727 -38.827 1.00 20.00 C ATOM 102 O ASP A -1 -38.789 1.764 -38.674 1.00 20.00 O ATOM 103 CB ASP A -1 -36.110 2.184 -38.964 1.00 20.00 C ATOM 104 CG ASP A -1 -34.599 2.249 -39.041 1.00 20.00 C ATOM 105 OD1 ASP A -1 -33.928 1.462 -38.336 1.00 20.00 O ATOM 106 OD2 ASP A -1 -34.074 3.104 -39.780 1.00 20.00 O ATOM 0 H ASP A -1 -36.776 1.069 -41.276 1.00 20.00 H new ATOM 0 HA ASP A -1 -36.102 0.082 -38.581 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -36.535 2.867 -39.700 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -36.433 2.532 -37.983 1.00 20.00 H new ATOM 111 N ASP A 0 -38.664 -0.484 -38.684 1.00 20.00 N ATOM 112 CA ASP A 0 -40.077 -0.684 -38.378 1.00 20.00 C ATOM 113 C ASP A 0 -40.402 -0.221 -36.963 1.00 20.00 C ATOM 114 O ASP A 0 -41.515 0.224 -36.683 1.00 20.00 O ATOM 115 CB ASP A 0 -40.466 -2.160 -38.558 1.00 20.00 C ATOM 116 CG ASP A 0 -39.662 -3.106 -37.683 1.00 20.00 C ATOM 117 OD1 ASP A 0 -38.493 -3.387 -38.020 1.00 20.00 O ATOM 118 OD2 ASP A 0 -40.195 -3.586 -36.660 1.00 20.00 O ATOM 0 H ASP A 0 -38.129 -1.348 -38.775 1.00 20.00 H new ATOM 0 HA ASP A 0 -40.659 -0.082 -39.076 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -41.526 -2.279 -38.331 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -40.330 -2.439 -39.603 1.00 20.00 H new ATOM 123 N LYS A 1 -39.424 -0.325 -36.079 1.00 20.00 N ATOM 124 CA LYS A 1 -39.592 0.084 -34.692 1.00 20.00 C ATOM 125 C LYS A 1 -39.114 1.517 -34.494 1.00 20.00 C ATOM 126 O LYS A 1 -39.821 2.324 -33.893 1.00 20.00 O ATOM 127 CB LYS A 1 -38.819 -0.866 -33.774 1.00 20.00 C ATOM 128 CG LYS A 1 -39.214 -2.322 -33.956 1.00 20.00 C ATOM 129 CD LYS A 1 -38.271 -3.263 -33.229 1.00 20.00 C ATOM 130 CE LYS A 1 -38.494 -4.704 -33.663 1.00 20.00 C ATOM 131 NZ LYS A 1 -38.238 -4.888 -35.119 1.00 20.00 N ATOM 0 H LYS A 1 -38.498 -0.692 -36.298 1.00 20.00 H new ATOM 0 HA LYS A 1 -40.651 0.040 -34.439 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -37.751 -0.759 -33.966 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -38.987 -0.577 -32.737 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -40.229 -2.471 -33.588 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -39.221 -2.565 -35.018 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -37.239 -2.975 -33.429 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -38.423 -3.176 -32.153 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -37.838 -5.361 -33.092 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -39.518 -4.999 -33.434 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -38.116 -5.900 -35.325 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -39.044 -4.519 -35.663 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -37.375 -4.373 -35.387 1.00 20.00 H new ATOM 145 N ASN A 2 -37.919 1.821 -35.015 1.00 20.00 N ATOM 146 CA ASN A 2 -37.311 3.166 -34.931 1.00 20.00 C ATOM 147 C ASN A 2 -37.518 3.815 -33.558 1.00 20.00 C ATOM 148 O ASN A 2 -37.906 4.983 -33.453 1.00 20.00 O ATOM 149 CB ASN A 2 -37.810 4.097 -36.064 1.00 20.00 C ATOM 150 CG ASN A 2 -39.314 4.330 -36.080 1.00 20.00 C ATOM 151 OD1 ASN A 2 -39.823 5.254 -35.443 1.00 20.00 O ATOM 152 ND2 ASN A 2 -40.030 3.514 -36.838 1.00 20.00 N ATOM 0 H ASN A 2 -37.340 1.143 -35.510 1.00 20.00 H new ATOM 0 HA ASN A 2 -36.238 3.024 -35.064 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -37.308 5.060 -35.972 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -37.512 3.672 -37.023 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -41.040 3.639 -36.910 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -39.572 2.760 -37.350 1.00 20.00 H new ATOM 159 N ARG A 3 -37.235 3.054 -32.503 1.00 20.00 N ATOM 160 CA ARG A 3 -37.440 3.534 -31.141 1.00 20.00 C ATOM 161 C ARG A 3 -36.487 2.846 -30.162 1.00 20.00 C ATOM 162 O ARG A 3 -36.183 3.397 -29.100 1.00 20.00 O ATOM 163 CB ARG A 3 -38.895 3.293 -30.719 1.00 20.00 C ATOM 164 CG ARG A 3 -39.275 3.931 -29.391 1.00 20.00 C ATOM 165 CD ARG A 3 -39.102 5.442 -29.425 1.00 20.00 C ATOM 166 NE ARG A 3 -39.609 6.073 -28.211 1.00 20.00 N ATOM 167 CZ ARG A 3 -39.353 7.333 -27.864 1.00 20.00 C ATOM 168 NH1 ARG A 3 -38.577 8.094 -28.624 1.00 20.00 N ATOM 169 NH2 ARG A 3 -39.869 7.829 -26.750 1.00 20.00 N ATOM 0 H ARG A 3 -36.864 2.106 -32.566 1.00 20.00 H new ATOM 0 HA ARG A 3 -37.229 4.603 -31.120 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -39.555 3.678 -31.496 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -39.070 2.219 -30.656 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -40.311 3.688 -29.153 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -38.659 3.512 -28.596 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -38.046 5.684 -29.547 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -39.624 5.848 -30.291 1.00 20.00 H new ATOM 0 HE ARG A 3 -40.195 5.515 -27.590 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -38.172 7.715 -29.480 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -38.385 9.058 -28.352 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -40.462 7.246 -26.159 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -39.674 8.794 -26.483 1.00 20.00 H new ATOM 183 N ALA A 4 -36.025 1.649 -30.534 1.00 20.00 N ATOM 184 CA ALA A 4 -35.117 0.835 -29.715 1.00 20.00 C ATOM 185 C ALA A 4 -35.818 0.261 -28.483 1.00 20.00 C ATOM 186 O ALA A 4 -35.835 -0.957 -28.294 1.00 20.00 O ATOM 187 CB ALA A 4 -33.869 1.621 -29.320 1.00 20.00 C ATOM 0 H ALA A 4 -36.272 1.211 -31.422 1.00 20.00 H new ATOM 0 HA ALA A 4 -34.802 -0.008 -30.331 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -33.218 0.990 -28.715 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -33.337 1.935 -30.218 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -34.160 2.500 -28.745 1.00 20.00 H new ATOM 193 N LEU A 5 -36.393 1.135 -27.657 1.00 20.00 N ATOM 194 CA LEU A 5 -37.130 0.728 -26.459 1.00 20.00 C ATOM 195 C LEU A 5 -36.272 -0.159 -25.556 1.00 20.00 C ATOM 196 O LEU A 5 -36.486 -1.370 -25.456 1.00 20.00 O ATOM 197 CB LEU A 5 -38.424 0.001 -26.848 1.00 20.00 C ATOM 198 CG LEU A 5 -39.363 -0.348 -25.684 1.00 20.00 C ATOM 199 CD1 LEU A 5 -39.941 0.911 -25.053 1.00 20.00 C ATOM 200 CD2 LEU A 5 -40.478 -1.269 -26.155 1.00 20.00 C ATOM 0 H LEU A 5 -36.362 2.145 -27.799 1.00 20.00 H new ATOM 0 HA LEU A 5 -37.387 1.628 -25.901 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -38.970 0.622 -27.558 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -38.160 -0.920 -27.368 1.00 20.00 H new ATOM 0 HG LEU A 5 -38.780 -0.870 -24.925 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -40.602 0.636 -24.232 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -39.130 1.533 -24.673 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -40.505 1.467 -25.802 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -41.133 -1.505 -25.317 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -41.054 -0.773 -26.937 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -40.047 -2.189 -26.550 1.00 20.00 H new ATOM 212 N SER A 6 -35.290 0.454 -24.914 1.00 20.00 N ATOM 213 CA SER A 6 -34.426 -0.251 -23.982 1.00 20.00 C ATOM 214 C SER A 6 -35.209 -0.676 -22.738 1.00 20.00 C ATOM 215 O SER A 6 -36.069 0.067 -22.261 1.00 20.00 O ATOM 216 CB SER A 6 -33.244 0.642 -23.599 1.00 20.00 C ATOM 217 OG SER A 6 -33.682 1.939 -23.224 1.00 20.00 O ATOM 0 H SER A 6 -35.071 1.444 -25.023 1.00 20.00 H new ATOM 0 HA SER A 6 -34.046 -1.152 -24.463 1.00 20.00 H new ATOM 0 HB2 SER A 6 -32.694 0.188 -22.774 1.00 20.00 H new ATOM 0 HB3 SER A 6 -32.554 0.717 -24.439 1.00 20.00 H new ATOM 0 HG SER A 6 -32.907 2.489 -22.982 1.00 20.00 H new ATOM 223 N PRO A 7 -34.934 -1.878 -22.205 1.00 20.00 N ATOM 224 CA PRO A 7 -35.640 -2.418 -21.034 1.00 20.00 C ATOM 225 C PRO A 7 -35.205 -1.769 -19.717 1.00 20.00 C ATOM 226 O PRO A 7 -34.800 -2.465 -18.782 1.00 20.00 O ATOM 227 CB PRO A 7 -35.262 -3.900 -21.055 1.00 20.00 C ATOM 228 CG PRO A 7 -33.924 -3.938 -21.705 1.00 20.00 C ATOM 229 CD PRO A 7 -33.915 -2.818 -22.713 1.00 20.00 C ATOM 0 HA PRO A 7 -36.712 -2.230 -21.087 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -35.225 -4.314 -20.047 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -35.991 -4.487 -21.614 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -33.130 -3.807 -20.970 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -33.754 -4.899 -22.190 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -32.934 -2.347 -22.779 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -34.164 -3.177 -23.712 1.00 20.00 H new ATOM 237 N MET A 8 -35.316 -0.434 -19.666 1.00 20.00 N ATOM 238 CA MET A 8 -34.965 0.387 -18.493 1.00 20.00 C ATOM 239 C MET A 8 -33.662 -0.064 -17.824 1.00 20.00 C ATOM 240 O MET A 8 -32.816 -0.710 -18.447 1.00 20.00 O ATOM 241 CB MET A 8 -36.121 0.443 -17.467 1.00 20.00 C ATOM 242 CG MET A 8 -36.461 -0.876 -16.772 1.00 20.00 C ATOM 243 SD MET A 8 -37.664 -1.877 -17.679 1.00 20.00 S ATOM 244 CE MET A 8 -39.089 -0.790 -17.681 1.00 20.00 C ATOM 0 H MET A 8 -35.658 0.118 -20.452 1.00 20.00 H new ATOM 0 HA MET A 8 -34.797 1.396 -18.870 1.00 20.00 H new ATOM 0 HB2 MET A 8 -35.868 1.179 -16.704 1.00 20.00 H new ATOM 0 HB3 MET A 8 -37.015 0.805 -17.975 1.00 20.00 H new ATOM 0 HG2 MET A 8 -35.546 -1.454 -16.638 1.00 20.00 H new ATOM 0 HG3 MET A 8 -36.853 -0.664 -15.777 1.00 20.00 H new ATOM 0 HE1 MET A 8 -39.999 -1.384 -17.766 1.00 20.00 H new ATOM 0 HE2 MET A 8 -39.113 -0.220 -16.752 1.00 20.00 H new ATOM 0 HE3 MET A 8 -39.023 -0.105 -18.526 1.00 20.00 H new ATOM 254 N VAL A 9 -33.472 0.329 -16.577 1.00 20.00 N ATOM 255 CA VAL A 9 -32.327 -0.125 -15.810 1.00 20.00 C ATOM 256 C VAL A 9 -32.697 -1.384 -15.039 1.00 20.00 C ATOM 257 O VAL A 9 -33.410 -1.326 -14.034 1.00 20.00 O ATOM 258 CB VAL A 9 -31.824 0.954 -14.830 1.00 20.00 C ATOM 259 CG1 VAL A 9 -30.599 0.467 -14.072 1.00 20.00 C ATOM 260 CG2 VAL A 9 -31.518 2.248 -15.568 1.00 20.00 C ATOM 0 H VAL A 9 -34.096 0.961 -16.075 1.00 20.00 H new ATOM 0 HA VAL A 9 -31.520 -0.337 -16.511 1.00 20.00 H new ATOM 0 HB VAL A 9 -32.615 1.151 -14.106 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -30.262 1.245 -13.387 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -30.854 -0.429 -13.506 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -29.802 0.236 -14.779 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -31.165 2.996 -14.859 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -30.748 2.066 -16.318 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -32.422 2.610 -16.057 1.00 20.00 H new ATOM 270 N SER A 10 -32.222 -2.519 -15.517 1.00 20.00 N ATOM 271 CA SER A 10 -32.557 -3.802 -14.917 1.00 20.00 C ATOM 272 C SER A 10 -31.618 -4.121 -13.760 1.00 20.00 C ATOM 273 O SER A 10 -31.033 -5.202 -13.693 1.00 20.00 O ATOM 274 CB SER A 10 -32.487 -4.901 -15.976 1.00 20.00 C ATOM 275 OG SER A 10 -33.212 -4.530 -17.140 1.00 20.00 O ATOM 0 H SER A 10 -31.600 -2.581 -16.323 1.00 20.00 H new ATOM 0 HA SER A 10 -33.572 -3.748 -14.523 1.00 20.00 H new ATOM 0 HB2 SER A 10 -31.447 -5.094 -16.237 1.00 20.00 H new ATOM 0 HB3 SER A 10 -32.892 -5.828 -15.571 1.00 20.00 H new ATOM 0 HG SER A 10 -33.152 -5.247 -17.805 1.00 20.00 H new ATOM 281 N GLU A 11 -31.475 -3.169 -12.852 1.00 20.00 N ATOM 282 CA GLU A 11 -30.619 -3.337 -11.692 1.00 20.00 C ATOM 283 C GLU A 11 -31.389 -2.981 -10.429 1.00 20.00 C ATOM 284 O GLU A 11 -32.279 -2.129 -10.453 1.00 20.00 O ATOM 285 CB GLU A 11 -29.364 -2.466 -11.819 1.00 20.00 C ATOM 286 CG GLU A 11 -28.550 -2.751 -13.072 1.00 20.00 C ATOM 287 CD GLU A 11 -27.281 -1.930 -13.145 1.00 20.00 C ATOM 288 OE1 GLU A 11 -26.243 -2.390 -12.622 1.00 20.00 O ATOM 289 OE2 GLU A 11 -27.307 -0.828 -13.734 1.00 20.00 O ATOM 0 H GLU A 11 -31.946 -2.265 -12.898 1.00 20.00 H new ATOM 0 HA GLU A 11 -30.304 -4.379 -11.633 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -29.658 -1.417 -11.818 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -28.734 -2.621 -10.943 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -28.294 -3.810 -13.101 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -29.161 -2.546 -13.951 1.00 20.00 H new ATOM 296 N PHE A 12 -31.055 -3.641 -9.336 1.00 20.00 N ATOM 297 CA PHE A 12 -31.747 -3.430 -8.078 1.00 20.00 C ATOM 298 C PHE A 12 -30.762 -3.027 -6.993 1.00 20.00 C ATOM 299 O PHE A 12 -29.905 -3.817 -6.599 1.00 20.00 O ATOM 300 CB PHE A 12 -32.484 -4.707 -7.670 1.00 20.00 C ATOM 301 CG PHE A 12 -33.333 -4.565 -6.433 1.00 20.00 C ATOM 302 CD1 PHE A 12 -32.800 -4.806 -5.173 1.00 20.00 C ATOM 303 CD2 PHE A 12 -34.667 -4.197 -6.529 1.00 20.00 C ATOM 304 CE1 PHE A 12 -33.580 -4.685 -4.040 1.00 20.00 C ATOM 305 CE2 PHE A 12 -35.448 -4.073 -5.398 1.00 20.00 C ATOM 306 CZ PHE A 12 -34.905 -4.317 -4.152 1.00 20.00 C ATOM 0 H PHE A 12 -30.305 -4.331 -9.294 1.00 20.00 H new ATOM 0 HA PHE A 12 -32.471 -2.625 -8.206 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -33.118 -5.026 -8.497 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -31.752 -5.498 -7.505 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -31.763 -5.092 -5.078 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -35.099 -4.005 -7.500 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -33.153 -4.878 -3.067 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -36.485 -3.785 -5.487 1.00 20.00 H new ATOM 0 HZ PHE A 12 -35.516 -4.220 -3.267 1.00 20.00 H new ATOM 316 N GLU A 13 -30.873 -1.798 -6.522 1.00 20.00 N ATOM 317 CA GLU A 13 -30.040 -1.332 -5.428 1.00 20.00 C ATOM 318 C GLU A 13 -30.907 -0.982 -4.227 1.00 20.00 C ATOM 319 O GLU A 13 -31.125 -1.820 -3.353 1.00 20.00 O ATOM 320 CB GLU A 13 -29.194 -0.123 -5.848 1.00 20.00 C ATOM 321 CG GLU A 13 -28.282 -0.397 -7.035 1.00 20.00 C ATOM 322 CD GLU A 13 -27.324 0.743 -7.301 1.00 20.00 C ATOM 323 OE1 GLU A 13 -26.276 0.807 -6.625 1.00 20.00 O ATOM 324 OE2 GLU A 13 -27.613 1.581 -8.183 1.00 20.00 O ATOM 0 H GLU A 13 -31.531 -1.105 -6.879 1.00 20.00 H new ATOM 0 HA GLU A 13 -29.357 -2.136 -5.153 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -29.858 0.706 -6.095 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -28.587 0.196 -5.001 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -27.715 -1.309 -6.851 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -28.889 -0.573 -7.923 1.00 20.00 H new ATOM 331 N THR A 14 -31.437 0.242 -4.226 1.00 20.00 N ATOM 332 CA THR A 14 -32.272 0.753 -3.135 1.00 20.00 C ATOM 333 C THR A 14 -31.738 0.342 -1.760 1.00 20.00 C ATOM 334 O THR A 14 -32.360 -0.450 -1.053 1.00 20.00 O ATOM 335 CB THR A 14 -33.747 0.309 -3.289 1.00 20.00 C ATOM 336 OG1 THR A 14 -33.827 -1.093 -3.585 1.00 20.00 O ATOM 337 CG2 THR A 14 -34.439 1.103 -4.388 1.00 20.00 C ATOM 0 H THR A 14 -31.299 0.910 -4.984 1.00 20.00 H new ATOM 0 HA THR A 14 -32.231 1.840 -3.200 1.00 20.00 H new ATOM 0 HB THR A 14 -34.252 0.501 -2.343 1.00 20.00 H new ATOM 0 HG1 THR A 14 -33.034 -1.548 -3.231 1.00 20.00 H new ATOM 0 HG21 THR A 14 -35.474 0.774 -4.478 1.00 20.00 H new ATOM 0 HG22 THR A 14 -34.416 2.164 -4.140 1.00 20.00 H new ATOM 0 HG23 THR A 14 -33.923 0.940 -5.334 1.00 20.00 H new ATOM 345 N ILE A 15 -30.580 0.889 -1.402 1.00 20.00 N ATOM 346 CA ILE A 15 -29.926 0.583 -0.130 1.00 20.00 C ATOM 347 C ILE A 15 -29.569 -0.909 -0.054 1.00 20.00 C ATOM 348 O ILE A 15 -30.122 -1.663 0.750 1.00 20.00 O ATOM 349 CB ILE A 15 -30.809 0.978 1.082 1.00 20.00 C ATOM 350 CG1 ILE A 15 -31.339 2.414 0.933 1.00 20.00 C ATOM 351 CG2 ILE A 15 -30.028 0.849 2.384 1.00 20.00 C ATOM 352 CD1 ILE A 15 -30.258 3.475 0.867 1.00 20.00 C ATOM 0 H ILE A 15 -30.069 1.555 -1.982 1.00 20.00 H new ATOM 0 HA ILE A 15 -29.012 1.175 -0.085 1.00 20.00 H new ATOM 0 HB ILE A 15 -31.657 0.294 1.110 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -31.945 2.473 0.029 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -31.997 2.635 1.773 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -30.667 1.131 3.221 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -29.699 -0.182 2.510 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -29.159 1.506 2.354 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -30.718 4.457 0.762 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -29.665 3.448 1.781 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -29.612 3.284 0.010 1.00 20.00 H new ATOM 364 N GLU A 16 -28.641 -1.329 -0.903 1.00 20.00 N ATOM 365 CA GLU A 16 -28.259 -2.733 -0.977 1.00 20.00 C ATOM 366 C GLU A 16 -27.294 -3.095 0.148 1.00 20.00 C ATOM 367 O GLU A 16 -27.410 -4.157 0.754 1.00 20.00 O ATOM 368 CB GLU A 16 -27.612 -3.055 -2.328 1.00 20.00 C ATOM 369 CG GLU A 16 -27.310 -4.537 -2.510 1.00 20.00 C ATOM 370 CD GLU A 16 -26.424 -4.826 -3.703 1.00 20.00 C ATOM 371 OE1 GLU A 16 -26.942 -4.930 -4.831 1.00 20.00 O ATOM 372 OE2 GLU A 16 -25.197 -4.966 -3.515 1.00 20.00 O ATOM 0 H GLU A 16 -28.140 -0.719 -1.549 1.00 20.00 H new ATOM 0 HA GLU A 16 -29.168 -3.325 -0.870 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -28.274 -2.725 -3.129 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -26.686 -2.487 -2.425 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -26.828 -4.916 -1.608 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -28.248 -5.081 -2.623 1.00 20.00 H new ATOM 379 N GLN A 17 -26.367 -2.187 0.444 1.00 20.00 N ATOM 380 CA GLN A 17 -25.287 -2.459 1.395 1.00 20.00 C ATOM 381 C GLN A 17 -25.831 -2.832 2.772 1.00 20.00 C ATOM 382 O GLN A 17 -25.266 -3.680 3.462 1.00 20.00 O ATOM 383 CB GLN A 17 -24.361 -1.244 1.525 1.00 20.00 C ATOM 384 CG GLN A 17 -23.640 -0.866 0.239 1.00 20.00 C ATOM 385 CD GLN A 17 -22.924 0.469 0.345 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.494 1.515 0.039 1.00 20.00 O ATOM 387 NE2 GLN A 17 -21.675 0.448 0.784 1.00 20.00 N ATOM 0 H GLN A 17 -26.341 -1.252 0.038 1.00 20.00 H new ATOM 0 HA GLN A 17 -24.722 -3.306 1.006 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -24.947 -0.390 1.864 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -23.619 -1.448 2.297 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -22.918 -1.643 -0.011 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.360 -0.825 -0.579 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -21.235 -0.439 1.028 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -21.153 1.319 0.878 1.00 20.00 H new ATOM 396 N GLU A 18 -26.932 -2.204 3.161 1.00 20.00 N ATOM 397 CA GLU A 18 -27.521 -2.447 4.473 1.00 20.00 C ATOM 398 C GLU A 18 -28.172 -3.829 4.521 1.00 20.00 C ATOM 399 O GLU A 18 -27.966 -4.594 5.462 1.00 20.00 O ATOM 400 CB GLU A 18 -28.551 -1.361 4.807 1.00 20.00 C ATOM 401 CG GLU A 18 -29.012 -1.378 6.256 1.00 20.00 C ATOM 402 CD GLU A 18 -27.870 -1.155 7.225 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.300 -0.046 7.229 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.529 -2.091 7.978 1.00 20.00 O ATOM 0 H GLU A 18 -27.435 -1.525 2.590 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.726 -2.413 5.218 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.121 -0.385 4.584 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -29.418 -1.484 4.158 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -29.767 -0.606 6.404 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -29.488 -2.335 6.472 1.00 20.00 H new ATOM 411 N ASN A 19 -28.932 -4.155 3.484 1.00 20.00 N ATOM 412 CA ASN A 19 -29.632 -5.435 3.426 1.00 20.00 C ATOM 413 C ASN A 19 -28.653 -6.572 3.185 1.00 20.00 C ATOM 414 O ASN A 19 -28.857 -7.695 3.653 1.00 20.00 O ATOM 415 CB ASN A 19 -30.708 -5.429 2.334 1.00 20.00 C ATOM 416 CG ASN A 19 -31.892 -4.553 2.693 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.828 -5.003 3.354 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.873 -3.304 2.252 1.00 20.00 N ATOM 0 H ASN A 19 -29.080 -3.554 2.673 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.120 -5.588 4.388 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.271 -5.079 1.399 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.053 -6.449 2.162 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.652 -2.679 2.457 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.079 -2.968 1.707 1.00 20.00 H new ATOM 425 N SER A 20 -27.576 -6.271 2.476 1.00 20.00 N ATOM 426 CA SER A 20 -26.561 -7.263 2.172 1.00 20.00 C ATOM 427 C SER A 20 -25.778 -7.637 3.429 1.00 20.00 C ATOM 428 O SER A 20 -25.160 -8.701 3.493 1.00 20.00 O ATOM 429 CB SER A 20 -25.608 -6.744 1.087 1.00 20.00 C ATOM 430 OG SER A 20 -24.651 -7.726 0.726 1.00 20.00 O ATOM 0 H SER A 20 -27.384 -5.343 2.100 1.00 20.00 H new ATOM 0 HA SER A 20 -27.061 -8.157 1.798 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.181 -6.451 0.207 1.00 20.00 H new ATOM 0 HB3 SER A 20 -25.097 -5.851 1.446 1.00 20.00 H new ATOM 0 HG SER A 20 -24.059 -7.367 0.032 1.00 20.00 H new ATOM 436 N TYR A 21 -25.819 -6.766 4.427 1.00 20.00 N ATOM 437 CA TYR A 21 -25.115 -7.012 5.675 1.00 20.00 C ATOM 438 C TYR A 21 -25.928 -7.939 6.574 1.00 20.00 C ATOM 439 O TYR A 21 -25.372 -8.733 7.329 1.00 20.00 O ATOM 440 CB TYR A 21 -24.830 -5.690 6.395 1.00 20.00 C ATOM 441 CG TYR A 21 -23.914 -5.830 7.593 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.542 -5.962 7.424 1.00 20.00 C ATOM 443 CD2 TYR A 21 -24.417 -5.833 8.890 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.698 -6.093 8.509 1.00 20.00 C ATOM 445 CE2 TYR A 21 -23.578 -5.962 9.981 1.00 20.00 C ATOM 446 CZ TYR A 21 -22.219 -6.092 9.785 1.00 20.00 C ATOM 447 OH TYR A 21 -21.377 -6.224 10.868 1.00 20.00 O ATOM 0 H TYR A 21 -26.332 -5.885 4.396 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.166 -7.497 5.446 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.383 -4.991 5.688 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.774 -5.254 6.721 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.128 -5.962 6.427 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -25.481 -5.733 9.047 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.634 -6.196 8.358 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -23.985 -5.961 10.982 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.902 -6.203 11.695 1.00 20.00 H new ATOM 457 N ASN A 22 -27.247 -7.832 6.489 1.00 20.00 N ATOM 458 CA ASN A 22 -28.130 -8.665 7.301 1.00 20.00 C ATOM 459 C ASN A 22 -28.500 -9.959 6.582 1.00 20.00 C ATOM 460 O ASN A 22 -28.263 -11.051 7.091 1.00 20.00 O ATOM 461 CB ASN A 22 -29.403 -7.898 7.686 1.00 20.00 C ATOM 462 CG ASN A 22 -30.390 -8.760 8.462 1.00 20.00 C ATOM 463 OD1 ASN A 22 -30.289 -8.893 9.682 1.00 20.00 O ATOM 464 ND2 ASN A 22 -31.363 -9.338 7.765 1.00 20.00 N ATOM 0 H ASN A 22 -27.729 -7.181 5.870 1.00 20.00 H new ATOM 0 HA ASN A 22 -27.584 -8.924 8.208 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -29.133 -7.030 8.287 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.885 -7.523 6.783 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -32.058 -9.914 8.240 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -31.415 -9.205 6.755 1.00 20.00 H new ATOM 471 N GLU A 23 -29.064 -9.829 5.391 1.00 20.00 N ATOM 472 CA GLU A 23 -29.640 -10.971 4.694 1.00 20.00 C ATOM 473 C GLU A 23 -28.611 -11.662 3.807 1.00 20.00 C ATOM 474 O GLU A 23 -28.350 -12.856 3.959 1.00 20.00 O ATOM 475 CB GLU A 23 -30.840 -10.522 3.860 1.00 20.00 C ATOM 476 CG GLU A 23 -31.578 -11.664 3.186 1.00 20.00 C ATOM 477 CD GLU A 23 -32.739 -11.181 2.347 1.00 20.00 C ATOM 478 OE1 GLU A 23 -33.851 -11.022 2.898 1.00 20.00 O ATOM 479 OE2 GLU A 23 -32.547 -10.955 1.135 1.00 20.00 O ATOM 0 H GLU A 23 -29.136 -8.945 4.886 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.970 -11.691 5.443 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -31.535 -9.981 4.502 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -30.499 -9.821 3.098 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.884 -12.220 2.556 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -31.944 -12.355 3.945 1.00 20.00 H new ATOM 486 N TRP A 24 -28.011 -10.904 2.894 1.00 20.00 N ATOM 487 CA TRP A 24 -27.090 -11.475 1.916 1.00 20.00 C ATOM 488 C TRP A 24 -25.841 -12.028 2.597 1.00 20.00 C ATOM 489 O TRP A 24 -25.131 -12.851 2.027 1.00 20.00 O ATOM 490 CB TRP A 24 -26.703 -10.444 0.855 1.00 20.00 C ATOM 491 CG TRP A 24 -25.925 -11.034 -0.279 1.00 20.00 C ATOM 492 CD1 TRP A 24 -24.582 -10.936 -0.488 1.00 20.00 C ATOM 493 CD2 TRP A 24 -26.443 -11.830 -1.350 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.231 -11.623 -1.622 1.00 20.00 N ATOM 495 CE2 TRP A 24 -25.357 -12.179 -2.171 1.00 20.00 C ATOM 496 CE3 TRP A 24 -27.720 -12.282 -1.692 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -25.508 -12.959 -3.315 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -27.870 -13.055 -2.827 1.00 20.00 C ATOM 499 CH2 TRP A 24 -26.769 -13.388 -3.627 1.00 20.00 C ATOM 0 H TRP A 24 -28.145 -9.896 2.811 1.00 20.00 H new ATOM 0 HA TRP A 24 -27.606 -12.298 1.421 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -27.607 -9.977 0.464 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -26.113 -9.655 1.321 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -23.895 -10.396 0.146 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -23.286 -11.707 -1.996 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -28.574 -12.032 -1.080 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -24.660 -13.216 -3.933 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -28.853 -13.409 -3.102 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -26.919 -13.995 -4.507 1.00 20.00 H new ATOM 510 N LEU A 25 -25.586 -11.581 3.820 1.00 20.00 N ATOM 511 CA LEU A 25 -24.461 -12.079 4.605 1.00 20.00 C ATOM 512 C LEU A 25 -24.514 -13.601 4.700 1.00 20.00 C ATOM 513 O LEU A 25 -23.485 -14.275 4.670 1.00 20.00 O ATOM 514 CB LEU A 25 -24.489 -11.478 6.012 1.00 20.00 C ATOM 515 CG LEU A 25 -23.311 -11.865 6.907 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.026 -11.215 6.415 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.589 -11.479 8.350 1.00 20.00 C ATOM 0 H LEU A 25 -26.145 -10.871 4.293 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.537 -11.784 4.107 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.518 -10.392 5.926 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.413 -11.784 6.502 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.185 -12.947 6.859 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.200 -11.503 7.066 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.818 -11.545 5.397 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -22.138 -10.131 6.429 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.740 -11.762 8.972 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.744 -10.402 8.415 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.483 -11.996 8.699 1.00 20.00 H new ATOM 529 N ARG A 26 -25.728 -14.127 4.782 1.00 20.00 N ATOM 530 CA ARG A 26 -25.947 -15.558 4.921 1.00 20.00 C ATOM 531 C ARG A 26 -25.706 -16.277 3.595 1.00 20.00 C ATOM 532 O ARG A 26 -25.331 -17.451 3.569 1.00 20.00 O ATOM 533 CB ARG A 26 -27.375 -15.810 5.408 1.00 20.00 C ATOM 534 CG ARG A 26 -27.721 -15.054 6.682 1.00 20.00 C ATOM 535 CD ARG A 26 -29.199 -15.163 7.021 1.00 20.00 C ATOM 536 NE ARG A 26 -29.548 -14.380 8.206 1.00 20.00 N ATOM 537 CZ ARG A 26 -30.792 -14.035 8.533 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.811 -14.380 7.752 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.015 -13.329 9.633 1.00 20.00 N ATOM 0 H ARG A 26 -26.585 -13.575 4.754 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.240 -15.952 5.651 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.075 -15.523 4.623 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.509 -16.878 5.580 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -27.129 -15.446 7.509 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -27.451 -14.004 6.566 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.792 -14.821 6.173 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.456 -16.209 7.189 1.00 20.00 H new ATOM 0 HE ARG A 26 -28.791 -14.079 8.820 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.642 -14.911 6.898 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.762 -14.113 8.007 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.234 -13.051 10.227 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -31.967 -13.064 9.885 1.00 20.00 H new ATOM 553 N ALA A 27 -25.908 -15.562 2.496 1.00 20.00 N ATOM 554 CA ALA A 27 -25.715 -16.122 1.164 1.00 20.00 C ATOM 555 C ALA A 27 -24.272 -15.952 0.712 1.00 20.00 C ATOM 556 O ALA A 27 -23.774 -16.700 -0.130 1.00 20.00 O ATOM 557 CB ALA A 27 -26.651 -15.453 0.173 1.00 20.00 C ATOM 0 H ALA A 27 -26.207 -14.587 2.501 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.942 -17.187 1.205 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -26.497 -15.880 -0.818 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -27.684 -15.615 0.482 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -26.445 -14.383 0.143 1.00 20.00 H new ATOM 563 N LYS A 28 -23.605 -14.965 1.288 1.00 20.00 N ATOM 564 CA LYS A 28 -22.227 -14.651 0.940 1.00 20.00 C ATOM 565 C LYS A 28 -21.280 -15.719 1.484 1.00 20.00 C ATOM 566 O LYS A 28 -20.141 -15.845 1.036 1.00 20.00 O ATOM 567 CB LYS A 28 -21.860 -13.268 1.487 1.00 20.00 C ATOM 568 CG LYS A 28 -20.498 -12.761 1.041 1.00 20.00 C ATOM 569 CD LYS A 28 -20.189 -11.408 1.658 1.00 20.00 C ATOM 570 CE LYS A 28 -18.907 -10.813 1.094 1.00 20.00 C ATOM 571 NZ LYS A 28 -19.014 -10.549 -0.366 1.00 20.00 N ATOM 0 H LYS A 28 -24.001 -14.360 2.008 1.00 20.00 H new ATOM 0 HA LYS A 28 -22.128 -14.637 -0.145 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -22.621 -12.553 1.175 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.883 -13.303 2.576 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.728 -13.478 1.326 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -20.474 -12.683 -0.046 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -21.019 -10.726 1.474 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.097 -11.513 2.739 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.678 -9.883 1.615 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.078 -11.495 1.280 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -18.259 -9.896 -0.657 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -18.918 -11.443 -0.888 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -19.940 -10.123 -0.575 1.00 20.00 H new ATOM 585 N VAL A 29 -21.768 -16.495 2.446 1.00 20.00 N ATOM 586 CA VAL A 29 -20.995 -17.595 3.009 1.00 20.00 C ATOM 587 C VAL A 29 -20.873 -18.728 1.990 1.00 20.00 C ATOM 588 O VAL A 29 -19.970 -19.567 2.064 1.00 20.00 O ATOM 589 CB VAL A 29 -21.640 -18.139 4.307 1.00 20.00 C ATOM 590 CG1 VAL A 29 -20.762 -19.198 4.952 1.00 20.00 C ATOM 591 CG2 VAL A 29 -21.917 -17.015 5.290 1.00 20.00 C ATOM 0 H VAL A 29 -22.697 -16.382 2.852 1.00 20.00 H new ATOM 0 HA VAL A 29 -20.005 -17.209 3.254 1.00 20.00 H new ATOM 0 HB VAL A 29 -22.589 -18.600 4.034 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -21.240 -19.562 5.862 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -20.623 -20.027 4.258 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -19.793 -18.765 5.200 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -22.370 -17.425 6.193 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -20.982 -16.518 5.547 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.598 -16.295 4.837 1.00 20.00 H new ATOM 601 N ALA A 30 -21.802 -18.723 1.030 1.00 20.00 N ATOM 602 CA ALA A 30 -21.824 -19.684 -0.072 1.00 20.00 C ATOM 603 C ALA A 30 -22.027 -21.114 0.420 1.00 20.00 C ATOM 604 O ALA A 30 -21.616 -22.070 -0.233 1.00 20.00 O ATOM 605 CB ALA A 30 -20.551 -19.574 -0.898 1.00 20.00 C ATOM 0 H ALA A 30 -22.565 -18.046 0.997 1.00 20.00 H new ATOM 0 HA ALA A 30 -22.677 -19.438 -0.705 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -20.583 -20.296 -1.714 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -20.469 -18.567 -1.307 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -19.688 -19.780 -0.265 1.00 20.00 H new ATOM 611 N THR A 31 -22.686 -21.249 1.565 1.00 20.00 N ATOM 612 CA THR A 31 -22.948 -22.553 2.159 1.00 20.00 C ATOM 613 C THR A 31 -23.784 -23.425 1.220 1.00 20.00 C ATOM 614 O THR A 31 -23.571 -24.636 1.115 1.00 20.00 O ATOM 615 CB THR A 31 -23.675 -22.398 3.508 1.00 20.00 C ATOM 616 OG1 THR A 31 -22.949 -21.489 4.344 1.00 20.00 O ATOM 617 CG2 THR A 31 -23.814 -23.738 4.212 1.00 20.00 C ATOM 0 H THR A 31 -23.051 -20.464 2.104 1.00 20.00 H new ATOM 0 HA THR A 31 -21.988 -23.041 2.326 1.00 20.00 H new ATOM 0 HB THR A 31 -24.674 -22.007 3.316 1.00 20.00 H new ATOM 0 HG1 THR A 31 -23.414 -21.390 5.201 1.00 20.00 H new ATOM 0 HG21 THR A 31 -24.331 -23.598 5.161 1.00 20.00 H new ATOM 0 HG22 THR A 31 -24.386 -24.421 3.584 1.00 20.00 H new ATOM 0 HG23 THR A 31 -22.825 -24.157 4.396 1.00 20.00 H new ATOM 625 N SER A 32 -24.711 -22.796 0.518 1.00 20.00 N ATOM 626 CA SER A 32 -25.569 -23.501 -0.418 1.00 20.00 C ATOM 627 C SER A 32 -25.318 -22.998 -1.834 1.00 20.00 C ATOM 628 O SER A 32 -26.218 -22.982 -2.674 1.00 20.00 O ATOM 629 CB SER A 32 -27.037 -23.304 -0.032 1.00 20.00 C ATOM 630 OG SER A 32 -27.250 -23.628 1.333 1.00 20.00 O ATOM 0 H SER A 32 -24.889 -21.794 0.579 1.00 20.00 H new ATOM 0 HA SER A 32 -25.339 -24.566 -0.381 1.00 20.00 H new ATOM 0 HB2 SER A 32 -27.329 -22.270 -0.214 1.00 20.00 H new ATOM 0 HB3 SER A 32 -27.670 -23.930 -0.661 1.00 20.00 H new ATOM 0 HG SER A 32 -28.194 -23.493 1.558 1.00 20.00 H new ATOM 636 N LEU A 33 -24.086 -22.586 -2.091 1.00 20.00 N ATOM 637 CA LEU A 33 -23.717 -22.050 -3.388 1.00 20.00 C ATOM 638 C LEU A 33 -22.501 -22.782 -3.937 1.00 20.00 C ATOM 639 O LEU A 33 -21.360 -22.447 -3.618 1.00 20.00 O ATOM 640 CB LEU A 33 -23.426 -20.551 -3.282 1.00 20.00 C ATOM 641 CG LEU A 33 -22.976 -19.872 -4.580 1.00 20.00 C ATOM 642 CD1 LEU A 33 -24.058 -19.960 -5.646 1.00 20.00 C ATOM 643 CD2 LEU A 33 -22.604 -18.424 -4.315 1.00 20.00 C ATOM 0 H LEU A 33 -23.323 -22.614 -1.414 1.00 20.00 H new ATOM 0 HA LEU A 33 -24.552 -22.197 -4.073 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -24.324 -20.049 -2.923 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -22.654 -20.401 -2.528 1.00 20.00 H new ATOM 0 HG LEU A 33 -22.096 -20.397 -4.952 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -23.712 -19.470 -6.556 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -24.276 -21.007 -5.857 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -24.962 -19.466 -5.289 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -22.286 -17.954 -5.246 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -23.469 -17.893 -3.917 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -21.789 -18.384 -3.592 1.00 20.00 H new ATOM 655 N ALA A 34 -22.756 -23.793 -4.745 1.00 20.00 N ATOM 656 CA ALA A 34 -21.695 -24.550 -5.378 1.00 20.00 C ATOM 657 C ALA A 34 -21.637 -24.233 -6.867 1.00 20.00 C ATOM 658 O ALA A 34 -22.634 -24.386 -7.580 1.00 20.00 O ATOM 659 CB ALA A 34 -21.907 -26.039 -5.159 1.00 20.00 C ATOM 0 H ALA A 34 -23.697 -24.110 -4.979 1.00 20.00 H new ATOM 0 HA ALA A 34 -20.745 -24.266 -4.926 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -21.103 -26.596 -5.640 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -21.908 -26.253 -4.090 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -22.863 -26.338 -5.590 1.00 20.00 H new ATOM 665 N ASP A 35 -20.478 -23.781 -7.326 1.00 20.00 N ATOM 666 CA ASP A 35 -20.287 -23.425 -8.726 1.00 20.00 C ATOM 667 C ASP A 35 -20.239 -24.675 -9.593 1.00 20.00 C ATOM 668 O ASP A 35 -19.392 -25.546 -9.389 1.00 20.00 O ATOM 669 CB ASP A 35 -18.991 -22.626 -8.919 1.00 20.00 C ATOM 670 CG ASP A 35 -19.059 -21.227 -8.342 1.00 20.00 C ATOM 671 OD1 ASP A 35 -19.576 -20.318 -9.029 1.00 20.00 O ATOM 672 OD2 ASP A 35 -18.584 -21.022 -7.205 1.00 20.00 O ATOM 0 H ASP A 35 -19.650 -23.651 -6.745 1.00 20.00 H new ATOM 0 HA ASP A 35 -21.132 -22.806 -9.027 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -18.167 -23.165 -8.451 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -18.767 -22.562 -9.984 1.00 20.00 H new ATOM 677 N PRO A 36 -21.155 -24.792 -10.563 1.00 20.00 N ATOM 678 CA PRO A 36 -21.151 -25.900 -11.513 1.00 20.00 C ATOM 679 C PRO A 36 -19.965 -25.804 -12.464 1.00 20.00 C ATOM 680 O PRO A 36 -20.041 -25.153 -13.508 1.00 20.00 O ATOM 681 CB PRO A 36 -22.470 -25.742 -12.285 1.00 20.00 C ATOM 682 CG PRO A 36 -23.266 -24.739 -11.518 1.00 20.00 C ATOM 683 CD PRO A 36 -22.271 -23.869 -10.808 1.00 20.00 C ATOM 0 HA PRO A 36 -21.065 -26.866 -11.016 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -22.289 -25.402 -13.305 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -23.000 -26.692 -12.355 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -23.894 -24.148 -12.185 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -23.930 -25.231 -10.807 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -21.967 -23.019 -11.419 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -22.675 -23.466 -9.879 1.00 20.00 H new ATOM 691 N ARG A 37 -18.859 -26.419 -12.075 1.00 20.00 N ATOM 692 CA ARG A 37 -17.660 -26.428 -12.895 1.00 20.00 C ATOM 693 C ARG A 37 -17.906 -27.252 -14.148 1.00 20.00 C ATOM 694 O ARG A 37 -18.292 -28.420 -14.060 1.00 20.00 O ATOM 695 CB ARG A 37 -16.473 -27.002 -12.118 1.00 20.00 C ATOM 696 CG ARG A 37 -16.194 -26.292 -10.803 1.00 20.00 C ATOM 697 CD ARG A 37 -15.891 -24.815 -11.010 1.00 20.00 C ATOM 698 NE ARG A 37 -15.610 -24.142 -9.744 1.00 20.00 N ATOM 699 CZ ARG A 37 -15.337 -22.844 -9.628 1.00 20.00 C ATOM 700 NH1 ARG A 37 -15.319 -22.061 -10.697 1.00 20.00 N ATOM 701 NH2 ARG A 37 -15.086 -22.330 -8.435 1.00 20.00 N ATOM 0 H ARG A 37 -18.768 -26.921 -11.192 1.00 20.00 H new ATOM 0 HA ARG A 37 -17.422 -25.402 -13.174 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -16.659 -28.057 -11.917 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -15.582 -26.949 -12.744 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -17.055 -26.397 -10.144 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -15.351 -26.769 -10.304 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -15.036 -24.708 -11.677 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -16.738 -24.334 -11.498 1.00 20.00 H new ATOM 0 HE ARG A 37 -15.624 -24.704 -8.893 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -15.515 -22.452 -11.619 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -15.109 -21.068 -10.598 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -15.102 -22.928 -7.609 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -14.876 -21.336 -8.342 1.00 20.00 H new ATOM 715 N PRO A 38 -17.701 -26.650 -15.327 1.00 20.00 N ATOM 716 CA PRO A 38 -17.971 -27.308 -16.607 1.00 20.00 C ATOM 717 C PRO A 38 -17.135 -28.567 -16.798 1.00 20.00 C ATOM 718 O PRO A 38 -15.907 -28.509 -16.891 1.00 20.00 O ATOM 719 CB PRO A 38 -17.600 -26.251 -17.654 1.00 20.00 C ATOM 720 CG PRO A 38 -16.720 -25.285 -16.939 1.00 20.00 C ATOM 721 CD PRO A 38 -17.181 -25.284 -15.511 1.00 20.00 C ATOM 0 HA PRO A 38 -19.007 -27.640 -16.677 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -17.084 -26.701 -18.502 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -18.489 -25.757 -18.047 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -15.674 -25.583 -17.011 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -16.799 -24.289 -17.375 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -16.363 -25.068 -14.824 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -17.951 -24.533 -15.336 1.00 20.00 H new ATOM 729 N ALA A 39 -17.812 -29.699 -16.839 1.00 20.00 N ATOM 730 CA ALA A 39 -17.160 -30.980 -17.030 1.00 20.00 C ATOM 731 C ALA A 39 -17.062 -31.304 -18.513 1.00 20.00 C ATOM 732 O ALA A 39 -17.825 -30.769 -19.323 1.00 20.00 O ATOM 733 CB ALA A 39 -17.929 -32.070 -16.300 1.00 20.00 C ATOM 0 H ALA A 39 -18.826 -29.756 -16.741 1.00 20.00 H new ATOM 0 HA ALA A 39 -16.152 -30.928 -16.619 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -17.432 -33.028 -16.449 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -17.963 -31.841 -15.235 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -18.945 -32.123 -16.692 1.00 20.00 H new ATOM 739 N ILE A 40 -16.106 -32.156 -18.861 1.00 20.00 N ATOM 740 CA ILE A 40 -15.943 -32.611 -20.236 1.00 20.00 C ATOM 741 C ILE A 40 -17.219 -33.298 -20.711 1.00 20.00 C ATOM 742 O ILE A 40 -17.643 -34.293 -20.122 1.00 20.00 O ATOM 743 CB ILE A 40 -14.757 -33.597 -20.376 1.00 20.00 C ATOM 744 CG1 ILE A 40 -13.451 -32.951 -19.900 1.00 20.00 C ATOM 745 CG2 ILE A 40 -14.618 -34.064 -21.820 1.00 20.00 C ATOM 746 CD1 ILE A 40 -12.266 -33.889 -19.930 1.00 20.00 C ATOM 0 H ILE A 40 -15.429 -32.547 -18.206 1.00 20.00 H new ATOM 0 HA ILE A 40 -15.736 -31.734 -20.849 1.00 20.00 H new ATOM 0 HB ILE A 40 -14.961 -34.463 -19.746 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -13.234 -32.085 -20.526 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -13.587 -32.583 -18.883 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -13.780 -34.756 -21.899 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -15.534 -34.567 -22.130 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -14.441 -33.204 -22.465 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -11.377 -33.364 -19.580 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -12.462 -34.743 -19.282 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -12.104 -34.237 -20.950 1.00 20.00 H new ATOM 758 N PRO A 41 -17.858 -32.764 -21.765 1.00 20.00 N ATOM 759 CA PRO A 41 -19.109 -33.317 -22.284 1.00 20.00 C ATOM 760 C PRO A 41 -18.920 -34.745 -22.782 1.00 20.00 C ATOM 761 O PRO A 41 -18.016 -35.020 -23.578 1.00 20.00 O ATOM 762 CB PRO A 41 -19.478 -32.383 -23.445 1.00 20.00 C ATOM 763 CG PRO A 41 -18.222 -31.661 -23.794 1.00 20.00 C ATOM 764 CD PRO A 41 -17.405 -31.593 -22.533 1.00 20.00 C ATOM 0 HA PRO A 41 -19.884 -33.369 -21.520 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -19.855 -32.948 -24.298 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -20.263 -31.685 -23.152 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -17.679 -32.185 -24.580 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -18.441 -30.661 -24.169 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -16.337 -31.641 -22.744 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -17.582 -30.664 -21.990 1.00 20.00 H new ATOM 772 N HIS A 42 -19.778 -35.650 -22.317 1.00 20.00 N ATOM 773 CA HIS A 42 -19.665 -37.062 -22.656 1.00 20.00 C ATOM 774 C HIS A 42 -19.815 -37.268 -24.159 1.00 20.00 C ATOM 775 O HIS A 42 -19.315 -38.249 -24.706 1.00 20.00 O ATOM 776 CB HIS A 42 -20.715 -37.890 -21.908 1.00 20.00 C ATOM 777 CG HIS A 42 -20.508 -39.372 -22.034 1.00 20.00 C ATOM 778 ND1 HIS A 42 -21.088 -40.139 -23.026 1.00 20.00 N ATOM 779 CD2 HIS A 42 -19.763 -40.228 -21.292 1.00 20.00 C ATOM 780 CE1 HIS A 42 -20.710 -41.396 -22.886 1.00 20.00 C ATOM 781 NE2 HIS A 42 -19.906 -41.477 -21.845 1.00 20.00 N ATOM 0 H HIS A 42 -20.561 -35.427 -21.702 1.00 20.00 H new ATOM 0 HA HIS A 42 -18.675 -37.400 -22.351 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -20.698 -37.617 -20.853 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -21.705 -37.636 -22.287 1.00 20.00 H new ATOM 0 HD1 HIS A 42 -21.711 -39.789 -23.753 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -19.168 -39.975 -20.427 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -21.009 -42.219 -23.518 1.00 20.00 H new ATOM 790 N ASP A 43 -20.499 -36.333 -24.815 1.00 20.00 N ATOM 791 CA ASP A 43 -20.683 -36.379 -26.267 1.00 20.00 C ATOM 792 C ASP A 43 -19.339 -36.335 -26.986 1.00 20.00 C ATOM 793 O ASP A 43 -19.143 -37.007 -27.994 1.00 20.00 O ATOM 794 CB ASP A 43 -21.567 -35.219 -26.738 1.00 20.00 C ATOM 795 CG ASP A 43 -21.695 -35.154 -28.249 1.00 20.00 C ATOM 796 OD1 ASP A 43 -22.501 -35.922 -28.818 1.00 20.00 O ATOM 797 OD2 ASP A 43 -21.001 -34.324 -28.873 1.00 20.00 O ATOM 0 H ASP A 43 -20.937 -35.530 -24.363 1.00 20.00 H new ATOM 0 HA ASP A 43 -21.178 -37.319 -26.512 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -22.559 -35.322 -26.298 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -21.152 -34.280 -26.372 1.00 20.00 H new ATOM 802 N GLU A 44 -18.407 -35.567 -26.437 1.00 20.00 N ATOM 803 CA GLU A 44 -17.084 -35.433 -27.029 1.00 20.00 C ATOM 804 C GLU A 44 -16.289 -36.718 -26.832 1.00 20.00 C ATOM 805 O GLU A 44 -15.419 -37.063 -27.637 1.00 20.00 O ATOM 806 CB GLU A 44 -16.342 -34.249 -26.404 1.00 20.00 C ATOM 807 CG GLU A 44 -14.963 -34.021 -26.993 1.00 20.00 C ATOM 808 CD GLU A 44 -14.225 -32.875 -26.339 1.00 20.00 C ATOM 809 OE1 GLU A 44 -14.689 -31.720 -26.448 1.00 20.00 O ATOM 810 OE2 GLU A 44 -13.165 -33.122 -25.729 1.00 20.00 O ATOM 0 H GLU A 44 -18.544 -35.027 -25.582 1.00 20.00 H new ATOM 0 HA GLU A 44 -17.194 -35.250 -28.098 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -16.938 -33.346 -26.535 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -16.247 -34.415 -25.331 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -14.374 -34.932 -26.889 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -15.058 -33.823 -28.061 1.00 20.00 H new ATOM 817 N VAL A 45 -16.604 -37.422 -25.756 1.00 20.00 N ATOM 818 CA VAL A 45 -15.949 -38.681 -25.443 1.00 20.00 C ATOM 819 C VAL A 45 -16.491 -39.796 -26.327 1.00 20.00 C ATOM 820 O VAL A 45 -15.729 -40.501 -26.985 1.00 20.00 O ATOM 821 CB VAL A 45 -16.143 -39.064 -23.961 1.00 20.00 C ATOM 822 CG1 VAL A 45 -15.421 -40.366 -23.638 1.00 20.00 C ATOM 823 CG2 VAL A 45 -15.661 -37.942 -23.057 1.00 20.00 C ATOM 0 H VAL A 45 -17.315 -37.140 -25.081 1.00 20.00 H new ATOM 0 HA VAL A 45 -14.883 -38.550 -25.631 1.00 20.00 H new ATOM 0 HB VAL A 45 -17.207 -39.217 -23.783 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -15.572 -40.615 -22.588 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -15.818 -41.167 -24.262 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -14.355 -40.249 -23.833 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -15.805 -38.227 -22.015 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -14.603 -37.757 -23.240 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -16.230 -37.036 -23.267 1.00 20.00 H new ATOM 833 N GLU A 46 -17.814 -39.925 -26.363 1.00 20.00 N ATOM 834 CA GLU A 46 -18.463 -40.993 -27.120 1.00 20.00 C ATOM 835 C GLU A 46 -18.331 -40.771 -28.622 1.00 20.00 C ATOM 836 O GLU A 46 -18.496 -41.704 -29.412 1.00 20.00 O ATOM 837 CB GLU A 46 -19.935 -41.123 -26.724 1.00 20.00 C ATOM 838 CG GLU A 46 -20.743 -39.855 -26.909 1.00 20.00 C ATOM 839 CD GLU A 46 -22.170 -40.017 -26.443 1.00 20.00 C ATOM 840 OE1 GLU A 46 -22.988 -40.564 -27.210 1.00 20.00 O ATOM 841 OE2 GLU A 46 -22.476 -39.611 -25.300 1.00 20.00 O ATOM 0 H GLU A 46 -18.459 -39.303 -25.876 1.00 20.00 H new ATOM 0 HA GLU A 46 -17.955 -41.925 -26.874 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -20.389 -41.919 -27.314 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -19.993 -41.428 -25.679 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -20.272 -39.042 -26.357 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -20.736 -39.572 -27.961 1.00 20.00 H new ATOM 848 N ARG A 47 -18.037 -39.535 -29.011 1.00 20.00 N ATOM 849 CA ARG A 47 -17.763 -39.213 -30.405 1.00 20.00 C ATOM 850 C ARG A 47 -16.603 -40.071 -30.908 1.00 20.00 C ATOM 851 O ARG A 47 -16.572 -40.474 -32.072 1.00 20.00 O ATOM 852 CB ARG A 47 -17.446 -37.714 -30.551 1.00 20.00 C ATOM 853 CG ARG A 47 -17.394 -37.200 -31.990 1.00 20.00 C ATOM 854 CD ARG A 47 -16.056 -37.479 -32.663 1.00 20.00 C ATOM 855 NE ARG A 47 -16.035 -37.035 -34.057 1.00 20.00 N ATOM 856 CZ ARG A 47 -14.921 -36.891 -34.774 1.00 20.00 C ATOM 857 NH1 ARG A 47 -13.737 -37.147 -34.231 1.00 20.00 N ATOM 858 NH2 ARG A 47 -14.991 -36.501 -36.041 1.00 20.00 N ATOM 0 H ARG A 47 -17.982 -38.738 -28.377 1.00 20.00 H new ATOM 0 HA ARG A 47 -18.644 -39.430 -31.009 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -18.198 -37.144 -30.005 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -16.486 -37.513 -30.075 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -18.192 -37.667 -32.568 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -17.583 -36.126 -31.996 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -15.262 -36.976 -32.111 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -15.846 -38.548 -32.621 1.00 20.00 H new ATOM 0 HE ARG A 47 -16.926 -36.823 -34.507 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -13.677 -37.456 -33.261 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -12.887 -37.035 -34.784 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -15.898 -36.311 -36.467 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -14.138 -36.391 -36.589 1.00 20.00 H new ATOM 872 N ARG A 48 -15.665 -40.371 -30.011 1.00 20.00 N ATOM 873 CA ARG A 48 -14.535 -41.224 -30.348 1.00 20.00 C ATOM 874 C ARG A 48 -15.021 -42.615 -30.730 1.00 20.00 C ATOM 875 O ARG A 48 -14.577 -43.182 -31.723 1.00 20.00 O ATOM 876 CB ARG A 48 -13.554 -41.339 -29.179 1.00 20.00 C ATOM 877 CG ARG A 48 -12.938 -40.022 -28.731 1.00 20.00 C ATOM 878 CD ARG A 48 -11.806 -40.259 -27.741 1.00 20.00 C ATOM 879 NE ARG A 48 -10.728 -41.050 -28.335 1.00 20.00 N ATOM 880 CZ ARG A 48 -9.808 -41.718 -27.640 1.00 20.00 C ATOM 881 NH1 ARG A 48 -9.803 -41.682 -26.313 1.00 20.00 N ATOM 882 NH2 ARG A 48 -8.882 -42.417 -28.279 1.00 20.00 N ATOM 0 H ARG A 48 -15.668 -40.035 -29.048 1.00 20.00 H new ATOM 0 HA ARG A 48 -14.019 -40.767 -31.192 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -14.072 -41.789 -28.332 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -12.752 -42.021 -29.462 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -12.560 -39.479 -29.598 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -13.703 -39.396 -28.271 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -11.411 -39.301 -27.403 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -12.193 -40.773 -26.861 1.00 20.00 H new ATOM 0 HE ARG A 48 -10.677 -41.093 -29.353 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -10.508 -41.139 -25.815 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -9.094 -42.197 -25.792 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -8.875 -42.442 -29.299 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -8.176 -42.930 -27.751 1.00 20.00 H new ATOM 896 N MET A 49 -15.949 -43.151 -29.942 1.00 20.00 N ATOM 897 CA MET A 49 -16.487 -44.487 -30.179 1.00 20.00 C ATOM 898 C MET A 49 -17.277 -44.527 -31.482 1.00 20.00 C ATOM 899 O MET A 49 -17.312 -45.550 -32.169 1.00 20.00 O ATOM 900 CB MET A 49 -17.377 -44.938 -29.014 1.00 20.00 C ATOM 901 CG MET A 49 -16.634 -45.132 -27.699 1.00 20.00 C ATOM 902 SD MET A 49 -16.085 -43.579 -26.962 1.00 20.00 S ATOM 903 CE MET A 49 -15.164 -44.173 -25.547 1.00 20.00 C ATOM 0 H MET A 49 -16.346 -42.678 -29.130 1.00 20.00 H new ATOM 0 HA MET A 49 -15.644 -45.174 -30.256 1.00 20.00 H new ATOM 0 HB2 MET A 49 -18.166 -44.200 -28.867 1.00 20.00 H new ATOM 0 HB3 MET A 49 -17.864 -45.875 -29.285 1.00 20.00 H new ATOM 0 HG2 MET A 49 -17.283 -45.652 -26.995 1.00 20.00 H new ATOM 0 HG3 MET A 49 -15.769 -45.773 -27.868 1.00 20.00 H new ATOM 0 HE1 MET A 49 -14.763 -43.325 -24.992 1.00 20.00 H new ATOM 0 HE2 MET A 49 -15.824 -44.751 -24.900 1.00 20.00 H new ATOM 0 HE3 MET A 49 -14.344 -44.806 -25.886 1.00 20.00 H new ATOM 913 N ALA A 50 -17.904 -43.409 -31.819 1.00 20.00 N ATOM 914 CA ALA A 50 -18.631 -43.291 -33.075 1.00 20.00 C ATOM 915 C ALA A 50 -17.686 -43.438 -34.261 1.00 20.00 C ATOM 916 O ALA A 50 -17.935 -44.223 -35.179 1.00 20.00 O ATOM 917 CB ALA A 50 -19.362 -41.960 -33.134 1.00 20.00 C ATOM 0 H ALA A 50 -17.924 -42.570 -31.240 1.00 20.00 H new ATOM 0 HA ALA A 50 -19.366 -44.094 -33.127 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -19.902 -41.883 -34.078 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -20.068 -41.895 -32.306 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -18.641 -41.146 -33.061 1.00 20.00 H new ATOM 923 N GLU A 51 -16.588 -42.698 -34.226 1.00 20.00 N ATOM 924 CA GLU A 51 -15.596 -42.751 -35.294 1.00 20.00 C ATOM 925 C GLU A 51 -14.775 -44.032 -35.199 1.00 20.00 C ATOM 926 O GLU A 51 -14.153 -44.465 -36.172 1.00 20.00 O ATOM 927 CB GLU A 51 -14.682 -41.529 -35.232 1.00 20.00 C ATOM 928 CG GLU A 51 -15.404 -40.219 -35.502 1.00 20.00 C ATOM 929 CD GLU A 51 -16.139 -40.222 -36.826 1.00 20.00 C ATOM 930 OE1 GLU A 51 -15.504 -40.516 -37.862 1.00 20.00 O ATOM 931 OE2 GLU A 51 -17.353 -39.919 -36.838 1.00 20.00 O ATOM 0 H GLU A 51 -16.360 -42.053 -33.470 1.00 20.00 H new ATOM 0 HA GLU A 51 -16.119 -42.747 -36.250 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -14.217 -41.482 -34.247 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -13.878 -41.649 -35.959 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -16.113 -40.027 -34.697 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -14.682 -39.402 -35.493 1.00 20.00 H new ATOM 938 N ARG A 52 -14.784 -44.626 -34.016 1.00 20.00 N ATOM 939 CA ARG A 52 -14.126 -45.900 -33.778 1.00 20.00 C ATOM 940 C ARG A 52 -14.846 -47.008 -34.533 1.00 20.00 C ATOM 941 O ARG A 52 -14.214 -47.896 -35.098 1.00 20.00 O ATOM 942 CB ARG A 52 -14.109 -46.201 -32.279 1.00 20.00 C ATOM 943 CG ARG A 52 -13.439 -47.510 -31.904 1.00 20.00 C ATOM 944 CD ARG A 52 -13.496 -47.736 -30.402 1.00 20.00 C ATOM 945 NE ARG A 52 -12.861 -46.645 -29.661 1.00 20.00 N ATOM 946 CZ ARG A 52 -12.654 -46.656 -28.345 1.00 20.00 C ATOM 947 NH1 ARG A 52 -13.036 -47.699 -27.616 1.00 20.00 N ATOM 948 NH2 ARG A 52 -12.064 -45.619 -27.761 1.00 20.00 N ATOM 0 H ARG A 52 -15.248 -44.238 -33.194 1.00 20.00 H new ATOM 0 HA ARG A 52 -13.099 -45.846 -34.138 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -13.599 -45.387 -31.764 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -15.136 -46.216 -31.913 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -13.930 -48.336 -32.419 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -12.401 -47.500 -32.235 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -14.536 -47.831 -30.088 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -13.002 -48.676 -30.157 1.00 20.00 H new ATOM 0 HE ARG A 52 -12.558 -45.824 -30.185 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -13.490 -48.495 -28.064 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -12.876 -47.703 -26.609 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -11.771 -44.818 -28.320 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -11.904 -45.624 -26.754 1.00 20.00 H new ATOM 962 N PHE A 53 -16.171 -46.938 -34.546 1.00 20.00 N ATOM 963 CA PHE A 53 -16.985 -47.906 -35.272 1.00 20.00 C ATOM 964 C PHE A 53 -16.870 -47.660 -36.774 1.00 20.00 C ATOM 965 O PHE A 53 -17.019 -48.574 -37.588 1.00 20.00 O ATOM 966 CB PHE A 53 -18.446 -47.803 -34.820 1.00 20.00 C ATOM 967 CG PHE A 53 -19.340 -48.865 -35.400 1.00 20.00 C ATOM 968 CD1 PHE A 53 -19.262 -50.177 -34.956 1.00 20.00 C ATOM 969 CD2 PHE A 53 -20.260 -48.549 -36.388 1.00 20.00 C ATOM 970 CE1 PHE A 53 -20.082 -51.153 -35.490 1.00 20.00 C ATOM 971 CE2 PHE A 53 -21.082 -49.521 -36.924 1.00 20.00 C ATOM 972 CZ PHE A 53 -20.995 -50.824 -36.474 1.00 20.00 C ATOM 0 H PHE A 53 -16.707 -46.219 -34.060 1.00 20.00 H new ATOM 0 HA PHE A 53 -16.625 -48.912 -35.056 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -18.485 -47.864 -33.732 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -18.834 -46.823 -35.099 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -18.553 -50.439 -34.185 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -20.335 -47.532 -36.742 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -20.009 -52.172 -35.139 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -21.793 -49.262 -37.695 1.00 20.00 H new ATOM 0 HZ PHE A 53 -21.639 -51.584 -36.890 1.00 20.00 H new ATOM 982 N ALA A 54 -16.577 -46.415 -37.127 1.00 20.00 N ATOM 983 CA ALA A 54 -16.393 -46.028 -38.518 1.00 20.00 C ATOM 984 C ALA A 54 -15.022 -46.463 -39.027 1.00 20.00 C ATOM 985 O ALA A 54 -14.686 -46.260 -40.191 1.00 20.00 O ATOM 986 CB ALA A 54 -16.562 -44.528 -38.668 1.00 20.00 C ATOM 0 H ALA A 54 -16.461 -45.651 -36.462 1.00 20.00 H new ATOM 0 HA ALA A 54 -17.151 -46.531 -39.118 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -16.422 -44.249 -39.712 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -17.563 -44.241 -38.346 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -15.822 -44.015 -38.053 1.00 20.00 H new ATOM 992 N LYS A 55 -14.237 -47.071 -38.144 1.00 20.00 N ATOM 993 CA LYS A 55 -12.923 -47.594 -38.502 1.00 20.00 C ATOM 994 C LYS A 55 -13.048 -48.678 -39.568 1.00 20.00 C ATOM 995 O LYS A 55 -12.132 -48.900 -40.351 1.00 20.00 O ATOM 996 CB LYS A 55 -12.216 -48.151 -37.259 1.00 20.00 C ATOM 997 CG LYS A 55 -10.894 -48.847 -37.552 1.00 20.00 C ATOM 998 CD LYS A 55 -10.143 -49.238 -36.285 1.00 20.00 C ATOM 999 CE LYS A 55 -10.894 -50.265 -35.441 1.00 20.00 C ATOM 1000 NZ LYS A 55 -11.889 -49.640 -34.523 1.00 20.00 N ATOM 0 H LYS A 55 -14.491 -47.215 -37.167 1.00 20.00 H new ATOM 0 HA LYS A 55 -12.327 -46.777 -38.909 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -12.036 -47.334 -36.560 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -12.882 -48.856 -36.761 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -11.082 -49.740 -38.148 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -10.267 -48.189 -38.153 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -9.168 -49.642 -36.557 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -9.962 -48.345 -35.686 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -11.405 -50.967 -36.100 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -10.178 -50.841 -34.855 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -12.030 -50.253 -33.695 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -11.538 -48.712 -34.211 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -12.793 -49.518 -35.022 1.00 20.00 H new ATOM 1014 N MET A 56 -14.206 -49.327 -39.606 1.00 20.00 N ATOM 1015 CA MET A 56 -14.459 -50.407 -40.559 1.00 20.00 C ATOM 1016 C MET A 56 -14.558 -49.882 -41.985 1.00 20.00 C ATOM 1017 O MET A 56 -14.483 -50.652 -42.945 1.00 20.00 O ATOM 1018 CB MET A 56 -15.740 -51.157 -40.195 1.00 20.00 C ATOM 1019 CG MET A 56 -15.656 -51.938 -38.890 1.00 20.00 C ATOM 1020 SD MET A 56 -14.375 -53.211 -38.909 1.00 20.00 S ATOM 1021 CE MET A 56 -12.964 -52.319 -38.252 1.00 20.00 C ATOM 0 H MET A 56 -14.990 -49.124 -38.985 1.00 20.00 H new ATOM 0 HA MET A 56 -13.614 -51.093 -40.505 1.00 20.00 H new ATOM 0 HB2 MET A 56 -16.559 -50.442 -40.125 1.00 20.00 H new ATOM 0 HB3 MET A 56 -15.986 -51.846 -41.003 1.00 20.00 H new ATOM 0 HG2 MET A 56 -15.460 -51.246 -38.071 1.00 20.00 H new ATOM 0 HG3 MET A 56 -16.621 -52.404 -38.690 1.00 20.00 H new ATOM 0 HE1 MET A 56 -12.160 -52.317 -38.988 1.00 20.00 H new ATOM 0 HE2 MET A 56 -13.254 -51.292 -38.029 1.00 20.00 H new ATOM 0 HE3 MET A 56 -12.619 -52.805 -37.339 1.00 20.00 H new ATOM 1031 N ARG A 57 -14.727 -48.573 -42.118 1.00 20.00 N ATOM 1032 CA ARG A 57 -14.786 -47.930 -43.424 1.00 20.00 C ATOM 1033 C ARG A 57 -13.474 -48.142 -44.177 1.00 20.00 C ATOM 1034 O ARG A 57 -13.468 -48.467 -45.367 1.00 20.00 O ATOM 1035 CB ARG A 57 -15.063 -46.434 -43.252 1.00 20.00 C ATOM 1036 CG ARG A 57 -15.113 -45.658 -44.557 1.00 20.00 C ATOM 1037 CD ARG A 57 -15.255 -44.165 -44.306 1.00 20.00 C ATOM 1038 NE ARG A 57 -15.137 -43.396 -45.541 1.00 20.00 N ATOM 1039 CZ ARG A 57 -14.957 -42.077 -45.585 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -14.894 -41.370 -44.462 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -14.841 -41.464 -46.754 1.00 20.00 N ATOM 0 H ARG A 57 -14.826 -47.932 -41.331 1.00 20.00 H new ATOM 0 HA ARG A 57 -15.594 -48.376 -44.004 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -16.012 -46.309 -42.731 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -14.290 -46.003 -42.615 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -14.206 -45.848 -45.131 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -15.951 -46.009 -45.160 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -16.221 -43.964 -43.843 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -14.490 -43.840 -43.601 1.00 20.00 H new ATOM 0 HE ARG A 57 -15.196 -43.900 -46.426 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -14.984 -41.837 -43.560 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -14.756 -40.360 -44.502 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -14.890 -42.002 -47.619 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -14.703 -40.454 -46.789 1.00 20.00 H new ATOM 1055 N LYS A 58 -12.368 -47.979 -43.465 1.00 20.00 N ATOM 1056 CA LYS A 58 -11.038 -48.135 -44.040 1.00 20.00 C ATOM 1057 C LYS A 58 -10.136 -48.875 -43.058 1.00 20.00 C ATOM 1058 O LYS A 58 -10.586 -49.811 -42.394 1.00 20.00 O ATOM 1059 CB LYS A 58 -10.447 -46.764 -44.395 1.00 20.00 C ATOM 1060 CG LYS A 58 -11.150 -46.074 -45.555 1.00 20.00 C ATOM 1061 CD LYS A 58 -10.996 -46.866 -46.843 1.00 20.00 C ATOM 1062 CE LYS A 58 -11.733 -46.212 -47.997 1.00 20.00 C ATOM 1063 NZ LYS A 58 -11.594 -46.995 -49.252 1.00 20.00 N ATOM 0 H LYS A 58 -12.366 -47.735 -42.475 1.00 20.00 H new ATOM 0 HA LYS A 58 -11.111 -48.720 -44.957 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -10.496 -46.119 -43.517 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -9.392 -46.886 -44.642 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -12.208 -45.955 -45.323 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -10.739 -45.074 -45.689 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -9.938 -46.955 -47.091 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -11.375 -47.877 -46.696 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -12.789 -46.113 -47.745 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -11.346 -45.205 -48.152 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -12.111 -46.518 -50.018 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -10.588 -47.068 -49.506 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -11.986 -47.948 -49.112 1.00 20.00 H new ATOM 1077 N GLU A 59 -8.862 -48.479 -42.997 1.00 20.00 N ATOM 1078 CA GLU A 59 -7.912 -49.029 -42.032 1.00 20.00 C ATOM 1079 C GLU A 59 -7.622 -50.507 -42.288 1.00 20.00 C ATOM 1080 O GLU A 59 -8.181 -51.129 -43.196 1.00 20.00 O ATOM 1081 CB GLU A 59 -8.429 -48.832 -40.602 1.00 20.00 C ATOM 1082 CG GLU A 59 -8.426 -47.382 -40.152 1.00 20.00 C ATOM 1083 CD GLU A 59 -7.027 -46.818 -40.051 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -6.516 -46.294 -41.061 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -6.427 -46.905 -38.963 1.00 20.00 O ATOM 0 H GLU A 59 -8.463 -47.771 -43.613 1.00 20.00 H new ATOM 0 HA GLU A 59 -6.975 -48.485 -42.155 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -9.444 -49.223 -40.534 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -7.815 -49.418 -39.918 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -9.007 -46.784 -40.854 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -8.918 -47.303 -39.183 1.00 20.00 H new ATOM 1092 N ARG A 60 -6.715 -51.051 -41.491 1.00 20.00 N ATOM 1093 CA ARG A 60 -6.339 -52.452 -41.588 1.00 20.00 C ATOM 1094 C ARG A 60 -6.462 -53.113 -40.223 1.00 20.00 C ATOM 1095 O ARG A 60 -5.965 -54.220 -40.002 1.00 20.00 O ATOM 1096 CB ARG A 60 -4.906 -52.576 -42.112 1.00 20.00 C ATOM 1097 CG ARG A 60 -4.695 -51.913 -43.462 1.00 20.00 C ATOM 1098 CD ARG A 60 -3.235 -51.941 -43.877 1.00 20.00 C ATOM 1099 NE ARG A 60 -3.003 -51.199 -45.113 1.00 20.00 N ATOM 1100 CZ ARG A 60 -1.830 -50.661 -45.446 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -0.775 -50.813 -44.653 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -1.714 -49.969 -46.572 1.00 20.00 N ATOM 0 H ARG A 60 -6.221 -50.536 -40.762 1.00 20.00 H new ATOM 0 HA ARG A 60 -7.009 -52.955 -42.286 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -4.223 -52.132 -41.388 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -4.646 -53.632 -42.190 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -5.298 -52.421 -44.215 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -5.042 -50.881 -43.419 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -2.623 -51.518 -43.080 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -2.916 -52.975 -44.009 1.00 20.00 H new ATOM 0 HE ARG A 60 -3.784 -51.086 -45.759 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -0.861 -51.343 -43.786 1.00 20.00 H new ATOM 0 HH12 ARG A 60 0.121 -50.400 -44.911 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -2.522 -49.849 -47.182 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -0.816 -49.557 -46.827 1.00 20.00 H new ATOM 1116 N SER A 61 -7.136 -52.423 -39.313 1.00 20.00 N ATOM 1117 CA SER A 61 -7.287 -52.884 -37.944 1.00 20.00 C ATOM 1118 C SER A 61 -8.674 -53.489 -37.720 1.00 20.00 C ATOM 1119 O SER A 61 -9.607 -52.793 -37.311 1.00 20.00 O ATOM 1120 CB SER A 61 -7.062 -51.715 -36.981 1.00 20.00 C ATOM 1121 OG SER A 61 -5.842 -51.047 -37.267 1.00 20.00 O ATOM 0 H SER A 61 -7.591 -51.531 -39.504 1.00 20.00 H new ATOM 0 HA SER A 61 -6.545 -53.660 -37.755 1.00 20.00 H new ATOM 0 HB2 SER A 61 -7.892 -51.012 -37.057 1.00 20.00 H new ATOM 0 HB3 SER A 61 -7.048 -52.082 -35.955 1.00 20.00 H new ATOM 0 HG SER A 61 -5.721 -50.303 -36.640 1.00 20.00 H new ATOM 1127 N LYS A 62 -8.812 -54.776 -38.012 1.00 20.00 N ATOM 1128 CA LYS A 62 -10.067 -55.473 -37.782 1.00 20.00 C ATOM 1129 C LYS A 62 -10.129 -55.963 -36.340 1.00 20.00 C ATOM 1130 O LYS A 62 -9.145 -56.487 -35.813 1.00 20.00 O ATOM 1131 CB LYS A 62 -10.213 -56.650 -38.751 1.00 20.00 C ATOM 1132 CG LYS A 62 -11.530 -57.397 -38.610 1.00 20.00 C ATOM 1133 CD LYS A 62 -11.629 -58.557 -39.591 1.00 20.00 C ATOM 1134 CE LYS A 62 -11.621 -58.081 -41.037 1.00 20.00 C ATOM 1135 NZ LYS A 62 -11.843 -59.198 -41.991 1.00 20.00 N ATOM 0 H LYS A 62 -8.072 -55.355 -38.407 1.00 20.00 H new ATOM 0 HA LYS A 62 -10.891 -54.781 -37.958 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -10.122 -56.282 -39.773 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -9.391 -57.347 -38.589 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -11.628 -57.773 -37.591 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -12.358 -56.708 -38.776 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -10.796 -59.241 -39.430 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -12.544 -59.118 -39.399 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -12.396 -57.327 -41.175 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -10.667 -57.601 -41.256 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -11.830 -58.831 -42.964 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -11.090 -59.906 -41.878 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -12.765 -59.640 -41.800 1.00 20.00 H new ATOM 1149 N GLN A 63 -11.275 -55.778 -35.703 1.00 20.00 N ATOM 1150 CA GLN A 63 -11.455 -56.194 -34.322 1.00 20.00 C ATOM 1151 C GLN A 63 -12.046 -57.596 -34.275 1.00 20.00 C ATOM 1152 O GLN A 63 -13.281 -57.727 -34.407 1.00 20.00 O ATOM 1153 CB GLN A 63 -12.369 -55.213 -33.588 1.00 20.00 C ATOM 1154 CG GLN A 63 -11.935 -53.763 -33.724 1.00 20.00 C ATOM 1155 CD GLN A 63 -12.942 -52.787 -33.148 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -12.577 -51.713 -32.666 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -14.215 -53.135 -33.215 1.00 20.00 N ATOM 1158 OXT GLN A 63 -11.275 -58.564 -34.123 1.00 20.00 O ATOM 0 H GLN A 63 -12.096 -55.341 -36.122 1.00 20.00 H new ATOM 0 HA GLN A 63 -10.484 -56.202 -33.827 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -13.384 -55.318 -33.971 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -12.399 -55.478 -32.531 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -10.977 -53.627 -33.221 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -11.777 -53.534 -34.778 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -14.478 -54.033 -33.621 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -14.935 -52.506 -32.860 1.00 20.00 H new TER 1167 GLN A 63