USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 481 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 58 ASN : amide:sc= 0.0744 K(o=-0.56,f=-4.5!) USER MOD Set 1.2: A 64 ASN : amide:sc= -0.631 K(o=-0.56,f=-8.7!) USER MOD Set 2.1: A 43 ASN : amide:sc= -0.152 X(o=-4.8,f=-4.5) USER MOD Set 2.2: A 49 HIS : no HD1:sc= -4.65! C(o=-4.8!,f=-6.8!) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.025 (180deg=-0.3) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.068) USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0693) USER MOD Single : A 5 TYR OH : rot -134:sc= 1.17 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.175 USER MOD Single : A 13 ASN : amide:sc= -0.248! X(o=-0.25!,f=-0.2) USER MOD Single : A 19 HIS : no HE2:sc= -0.203 X(o=-0.2,f=-0.29) USER MOD Single : A 24 THR OG1 : rot 104:sc= 0.729 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 170:sc= -0.757 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -15:sc= 1.11 USER MOD Single : A 42 SER OG : rot 69:sc= 0.366 USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= -0.024 (180deg=-0.286) USER MOD Single : A 54 THR OG1 : rot 11:sc= 0.113 USER MOD Single : A 61 SER OG : rot -46:sc= 0.276 USER MOD Single : A 63 THR OG1 : rot 171:sc= 1.06 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.0205 F(o=-1.1,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.445 -8.422 -9.643 1.00 0.00 N ATOM 2 CA MET A 1 1.702 -8.751 -8.229 1.00 0.00 C ATOM 3 C MET A 1 0.817 -7.929 -7.295 1.00 0.00 C ATOM 4 O MET A 1 0.278 -8.457 -6.322 1.00 0.00 O ATOM 5 CB MET A 1 3.179 -8.528 -7.882 1.00 0.00 C ATOM 6 CG MET A 1 4.125 -9.473 -8.603 1.00 0.00 C ATOM 7 SD MET A 1 3.794 -11.210 -8.236 1.00 0.00 S ATOM 8 CE MET A 1 4.211 -11.283 -6.494 1.00 0.00 C ATOM 0 H1 MET A 1 1.973 -9.078 -10.254 1.00 0.00 H new ATOM 0 H2 MET A 1 0.428 -8.509 -9.840 1.00 0.00 H new ATOM 0 H3 MET A 1 1.753 -7.447 -9.834 1.00 0.00 H new ATOM 0 HA MET A 1 1.459 -9.804 -8.088 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.449 -7.501 -8.127 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.312 -8.645 -6.807 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.043 -9.312 -9.678 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.151 -9.236 -8.322 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.316 -12.324 -6.188 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.151 -10.758 -6.323 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.420 -10.811 -5.911 1.00 0.00 H new ATOM 18 N GLY A 2 0.656 -6.643 -7.595 1.00 0.00 N ATOM 19 CA GLY A 2 -0.157 -5.794 -6.750 1.00 0.00 C ATOM 20 C GLY A 2 -1.632 -5.956 -7.037 1.00 0.00 C ATOM 21 O GLY A 2 -2.169 -5.326 -7.955 1.00 0.00 O ATOM 0 H GLY A 2 1.072 -6.179 -8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.037 -6.031 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.129 -4.753 -6.899 1.00 0.00 H new ATOM 25 N LYS A 3 -2.286 -6.801 -6.254 1.00 0.00 N ATOM 26 CA LYS A 3 -3.702 -7.075 -6.422 1.00 0.00 C ATOM 27 C LYS A 3 -4.534 -5.855 -6.050 1.00 0.00 C ATOM 28 O LYS A 3 -4.179 -5.108 -5.140 1.00 0.00 O ATOM 29 CB LYS A 3 -4.130 -8.250 -5.544 1.00 0.00 C ATOM 30 CG LYS A 3 -3.405 -9.555 -5.831 1.00 0.00 C ATOM 31 CD LYS A 3 -3.958 -10.680 -4.963 1.00 0.00 C ATOM 32 CE LYS A 3 -3.203 -11.982 -5.171 1.00 0.00 C ATOM 33 NZ LYS A 3 -1.814 -11.912 -4.649 1.00 0.00 N ATOM 0 H LYS A 3 -1.850 -7.314 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.869 -7.323 -7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.969 -7.983 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.201 -8.410 -5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.515 -9.814 -6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.338 -9.434 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.900 -10.391 -3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.012 -10.831 -5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.736 -12.793 -4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.179 -12.221 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.392 -12.863 -4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.249 -11.278 -5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.827 -11.546 -3.676 1.00 0.00 H new ATOM 47 N ALA A 4 -5.628 -5.649 -6.757 1.00 0.00 N ATOM 48 CA ALA A 4 -6.528 -4.554 -6.451 1.00 0.00 C ATOM 49 C ALA A 4 -7.583 -5.008 -5.459 1.00 0.00 C ATOM 50 O ALA A 4 -8.545 -5.678 -5.829 1.00 0.00 O ATOM 51 CB ALA A 4 -7.180 -4.024 -7.717 1.00 0.00 C ATOM 0 H ALA A 4 -5.915 -6.226 -7.548 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.951 -3.745 -6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.851 -3.203 -7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.410 -3.666 -8.400 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.747 -4.822 -8.196 1.00 0.00 H new ATOM 57 N TYR A 5 -7.390 -4.671 -4.199 1.00 0.00 N ATOM 58 CA TYR A 5 -8.329 -5.065 -3.173 1.00 0.00 C ATOM 59 C TYR A 5 -9.236 -3.914 -2.795 1.00 0.00 C ATOM 60 O TYR A 5 -8.783 -2.849 -2.368 1.00 0.00 O ATOM 61 CB TYR A 5 -7.603 -5.597 -1.922 1.00 0.00 C ATOM 62 CG TYR A 5 -8.541 -5.993 -0.790 1.00 0.00 C ATOM 63 CD1 TYR A 5 -9.296 -7.160 -0.858 1.00 0.00 C ATOM 64 CD2 TYR A 5 -8.671 -5.198 0.343 1.00 0.00 C ATOM 65 CE1 TYR A 5 -10.153 -7.520 0.168 1.00 0.00 C ATOM 66 CE2 TYR A 5 -9.524 -5.554 1.375 1.00 0.00 C ATOM 67 CZ TYR A 5 -10.262 -6.713 1.284 1.00 0.00 C ATOM 68 OH TYR A 5 -11.121 -7.067 2.309 1.00 0.00 O ATOM 0 H TYR A 5 -6.594 -4.128 -3.864 1.00 0.00 H new ATOM 0 HA TYR A 5 -8.939 -5.869 -3.584 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.002 -6.462 -2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.914 -4.833 -1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -9.212 -7.796 -1.727 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.097 -4.287 0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -10.734 -8.428 0.096 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -9.610 -4.924 2.248 1.00 0.00 H new ATOM 0 HH TYR A 5 -11.638 -6.283 2.588 1.00 0.00 H new ATOM 78 N TYR A 6 -10.513 -4.128 -2.964 1.00 0.00 N ATOM 79 CA TYR A 6 -11.504 -3.174 -2.561 1.00 0.00 C ATOM 80 C TYR A 6 -12.210 -3.707 -1.357 1.00 0.00 C ATOM 81 O TYR A 6 -12.862 -4.748 -1.420 1.00 0.00 O ATOM 82 CB TYR A 6 -12.500 -2.910 -3.691 1.00 0.00 C ATOM 83 CG TYR A 6 -11.939 -2.068 -4.809 1.00 0.00 C ATOM 84 CD1 TYR A 6 -11.105 -2.618 -5.773 1.00 0.00 C ATOM 85 CD2 TYR A 6 -12.243 -0.719 -4.896 1.00 0.00 C ATOM 86 CE1 TYR A 6 -10.589 -1.843 -6.792 1.00 0.00 C ATOM 87 CE2 TYR A 6 -11.735 0.062 -5.913 1.00 0.00 C ATOM 88 CZ TYR A 6 -10.909 -0.504 -6.856 1.00 0.00 C ATOM 89 OH TYR A 6 -10.396 0.275 -7.865 1.00 0.00 O ATOM 0 H TYR A 6 -10.894 -4.974 -3.387 1.00 0.00 H new ATOM 0 HA TYR A 6 -11.022 -2.226 -2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.834 -3.864 -4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -13.379 -2.414 -3.280 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -10.856 -3.668 -5.725 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -12.889 -0.271 -4.155 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.939 -2.283 -7.534 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -11.984 1.111 -5.969 1.00 0.00 H new ATOM 0 HH TYR A 6 -10.720 1.195 -7.765 1.00 0.00 H new ATOM 99 N ASP A 7 -12.079 -3.018 -0.256 1.00 0.00 N ATOM 100 CA ASP A 7 -12.685 -3.471 0.959 1.00 0.00 C ATOM 101 C ASP A 7 -14.060 -2.857 1.093 1.00 0.00 C ATOM 102 O ASP A 7 -14.199 -1.654 1.328 1.00 0.00 O ATOM 103 CB ASP A 7 -11.801 -3.141 2.166 1.00 0.00 C ATOM 104 CG ASP A 7 -12.209 -3.891 3.415 1.00 0.00 C ATOM 105 OD1 ASP A 7 -12.714 -5.024 3.293 1.00 0.00 O ATOM 106 OD2 ASP A 7 -11.985 -3.364 4.528 1.00 0.00 O ATOM 0 H ASP A 7 -11.559 -2.144 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.790 -4.555 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.764 -3.379 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.845 -2.069 2.361 1.00 0.00 H new ATOM 111 N ILE A 8 -15.069 -3.674 0.914 1.00 0.00 N ATOM 112 CA ILE A 8 -16.435 -3.203 0.932 1.00 0.00 C ATOM 113 C ILE A 8 -17.107 -3.460 2.263 1.00 0.00 C ATOM 114 O ILE A 8 -16.879 -4.491 2.906 1.00 0.00 O ATOM 115 CB ILE A 8 -17.302 -3.803 -0.224 1.00 0.00 C ATOM 116 CG1 ILE A 8 -17.494 -5.341 -0.089 1.00 0.00 C ATOM 117 CG2 ILE A 8 -16.704 -3.452 -1.579 1.00 0.00 C ATOM 118 CD1 ILE A 8 -16.277 -6.181 -0.448 1.00 0.00 C ATOM 0 H ILE A 8 -14.970 -4.676 0.753 1.00 0.00 H new ATOM 0 HA ILE A 8 -16.370 -2.126 0.775 1.00 0.00 H new ATOM 0 HB ILE A 8 -18.292 -3.353 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -17.780 -5.566 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -18.325 -5.644 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -17.321 -3.878 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -16.668 -2.368 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.695 -3.858 -1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -16.514 -7.237 -0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -15.999 -5.994 -1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -15.446 -5.914 0.205 1.00 0.00 H new ATOM 130 N VAL A 9 -17.920 -2.514 2.675 1.00 0.00 N ATOM 131 CA VAL A 9 -18.675 -2.619 3.905 1.00 0.00 C ATOM 132 C VAL A 9 -20.154 -2.716 3.571 1.00 0.00 C ATOM 133 O VAL A 9 -20.656 -1.977 2.711 1.00 0.00 O ATOM 134 CB VAL A 9 -18.410 -1.431 4.870 1.00 0.00 C ATOM 135 CG1 VAL A 9 -16.983 -1.482 5.396 1.00 0.00 C ATOM 136 CG2 VAL A 9 -18.676 -0.095 4.185 1.00 0.00 C ATOM 0 H VAL A 9 -18.078 -1.645 2.164 1.00 0.00 H new ATOM 0 HA VAL A 9 -18.348 -3.519 4.427 1.00 0.00 H new ATOM 0 HB VAL A 9 -19.098 -1.521 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -16.814 -0.643 6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.827 -2.417 5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.285 -1.423 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -18.482 0.718 4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -18.021 0.007 3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -19.716 -0.053 3.860 1.00 0.00 H new ATOM 146 N GLY A 10 -20.848 -3.628 4.225 1.00 0.00 N ATOM 147 CA GLY A 10 -22.225 -3.864 3.878 1.00 0.00 C ATOM 148 C GLY A 10 -23.208 -3.472 4.951 1.00 0.00 C ATOM 149 O GLY A 10 -23.220 -4.040 6.044 1.00 0.00 O ATOM 0 H GLY A 10 -20.485 -4.204 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.458 -3.312 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -22.355 -4.922 3.651 1.00 0.00 H new ATOM 153 N SER A 11 -24.029 -2.498 4.630 1.00 0.00 N ATOM 154 CA SER A 11 -25.078 -2.040 5.500 1.00 0.00 C ATOM 155 C SER A 11 -26.242 -1.549 4.656 1.00 0.00 C ATOM 156 O SER A 11 -26.041 -0.871 3.648 1.00 0.00 O ATOM 157 CB SER A 11 -24.574 -0.920 6.420 1.00 0.00 C ATOM 158 OG SER A 11 -25.634 -0.361 7.189 1.00 0.00 O ATOM 0 H SER A 11 -23.983 -1.997 3.743 1.00 0.00 H new ATOM 0 HA SER A 11 -25.406 -2.866 6.131 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.807 -1.313 7.087 1.00 0.00 H new ATOM 0 HB3 SER A 11 -24.106 -0.139 5.821 1.00 0.00 H new ATOM 0 HG SER A 11 -25.281 0.348 7.766 1.00 0.00 H new ATOM 164 N ASP A 12 -27.448 -1.902 5.060 1.00 0.00 N ATOM 165 CA ASP A 12 -28.657 -1.499 4.360 1.00 0.00 C ATOM 166 C ASP A 12 -28.937 -0.019 4.535 1.00 0.00 C ATOM 167 O ASP A 12 -29.907 0.495 3.999 1.00 0.00 O ATOM 168 CB ASP A 12 -29.862 -2.314 4.831 1.00 0.00 C ATOM 169 CG ASP A 12 -30.119 -2.187 6.320 1.00 0.00 C ATOM 170 OD1 ASP A 12 -29.313 -2.723 7.115 1.00 0.00 O ATOM 171 OD2 ASP A 12 -31.138 -1.569 6.705 1.00 0.00 O ATOM 0 H ASP A 12 -27.619 -2.478 5.885 1.00 0.00 H new ATOM 0 HA ASP A 12 -28.492 -1.693 3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -30.748 -1.989 4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -29.703 -3.364 4.584 1.00 0.00 H new ATOM 176 N ASN A 13 -28.123 0.660 5.311 1.00 0.00 N ATOM 177 CA ASN A 13 -28.291 2.087 5.474 1.00 0.00 C ATOM 178 C ASN A 13 -27.014 2.818 5.083 1.00 0.00 C ATOM 179 O ASN A 13 -27.065 3.931 4.558 1.00 0.00 O ATOM 180 CB ASN A 13 -28.646 2.408 6.931 1.00 0.00 C ATOM 181 CG ASN A 13 -29.275 3.801 7.143 1.00 0.00 C ATOM 182 OD1 ASN A 13 -30.082 3.988 8.053 1.00 0.00 O ATOM 183 ND2 ASN A 13 -28.916 4.777 6.320 1.00 0.00 N ATOM 0 H ASN A 13 -27.347 0.254 5.834 1.00 0.00 H new ATOM 0 HA ASN A 13 -29.101 2.420 4.824 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -29.338 1.651 7.299 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -27.743 2.335 7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -29.311 5.711 6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -28.245 4.594 5.574 1.00 0.00 H new ATOM 190 N ARG A 14 -25.872 2.181 5.303 1.00 0.00 N ATOM 191 CA ARG A 14 -24.591 2.811 5.007 1.00 0.00 C ATOM 192 C ARG A 14 -23.736 1.900 4.153 1.00 0.00 C ATOM 193 O ARG A 14 -23.045 1.022 4.670 1.00 0.00 O ATOM 194 CB ARG A 14 -23.830 3.142 6.300 1.00 0.00 C ATOM 195 CG ARG A 14 -24.679 3.796 7.376 1.00 0.00 C ATOM 196 CD ARG A 14 -25.285 5.097 6.901 1.00 0.00 C ATOM 197 NE ARG A 14 -24.298 6.161 6.774 1.00 0.00 N ATOM 198 CZ ARG A 14 -24.104 7.095 7.706 1.00 0.00 C ATOM 199 NH1 ARG A 14 -24.729 7.002 8.878 1.00 0.00 N ATOM 200 NH2 ARG A 14 -23.293 8.112 7.471 1.00 0.00 N ATOM 0 H ARG A 14 -25.805 1.236 5.682 1.00 0.00 H new ATOM 0 HA ARG A 14 -24.796 3.734 4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -23.401 2.223 6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -22.998 3.803 6.059 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -25.474 3.113 7.676 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -24.067 3.981 8.259 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -25.768 4.938 5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -26.062 5.408 7.600 1.00 0.00 H new ATOM 0 HE ARG A 14 -23.727 6.193 5.930 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -25.355 6.218 9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -24.582 7.715 9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -22.813 8.185 6.574 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -23.147 8.824 8.187 1.00 0.00 H new ATOM 214 N TRP A 15 -23.781 2.097 2.866 1.00 0.00 N ATOM 215 CA TRP A 15 -22.983 1.306 1.968 1.00 0.00 C ATOM 216 C TRP A 15 -21.792 2.129 1.496 1.00 0.00 C ATOM 217 O TRP A 15 -21.947 3.267 1.050 1.00 0.00 O ATOM 218 CB TRP A 15 -23.835 0.806 0.791 1.00 0.00 C ATOM 219 CG TRP A 15 -23.039 0.039 -0.218 1.00 0.00 C ATOM 220 CD1 TRP A 15 -22.650 -1.266 -0.138 1.00 0.00 C ATOM 221 CD2 TRP A 15 -22.528 0.535 -1.459 1.00 0.00 C ATOM 222 NE1 TRP A 15 -21.919 -1.609 -1.247 1.00 0.00 N ATOM 223 CE2 TRP A 15 -21.832 -0.520 -2.076 1.00 0.00 C ATOM 224 CE3 TRP A 15 -22.589 1.772 -2.104 1.00 0.00 C ATOM 225 CZ2 TRP A 15 -21.200 -0.376 -3.302 1.00 0.00 C ATOM 226 CZ3 TRP A 15 -21.966 1.912 -3.322 1.00 0.00 C ATOM 227 CH2 TRP A 15 -21.278 0.844 -3.911 1.00 0.00 C ATOM 0 H TRP A 15 -24.363 2.801 2.412 1.00 0.00 H new ATOM 0 HA TRP A 15 -22.606 0.425 2.488 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -24.636 0.173 1.172 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -24.307 1.658 0.302 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -22.884 -1.932 0.679 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -21.507 -2.525 -1.426 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -23.115 2.602 -1.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -20.667 -1.197 -3.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -22.008 2.862 -3.833 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -20.798 0.988 -4.868 1.00 0.00 H new ATOM 238 N GLY A 16 -20.600 1.565 1.604 1.00 0.00 N ATOM 239 CA GLY A 16 -19.419 2.321 1.273 1.00 0.00 C ATOM 240 C GLY A 16 -18.343 1.514 0.554 1.00 0.00 C ATOM 241 O GLY A 16 -18.201 0.312 0.782 1.00 0.00 O ATOM 0 H GLY A 16 -20.433 0.607 1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -19.705 3.165 0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -18.997 2.734 2.189 1.00 0.00 H new ATOM 245 N ILE A 17 -17.589 2.188 -0.314 1.00 0.00 N ATOM 246 CA ILE A 17 -16.481 1.569 -1.038 1.00 0.00 C ATOM 247 C ILE A 17 -15.164 2.077 -0.476 1.00 0.00 C ATOM 248 O ILE A 17 -14.885 3.284 -0.533 1.00 0.00 O ATOM 249 CB ILE A 17 -16.496 1.902 -2.565 1.00 0.00 C ATOM 250 CG1 ILE A 17 -17.907 1.788 -3.159 1.00 0.00 C ATOM 251 CG2 ILE A 17 -15.532 0.993 -3.318 1.00 0.00 C ATOM 252 CD1 ILE A 17 -18.686 3.083 -3.130 1.00 0.00 C ATOM 0 H ILE A 17 -17.729 3.174 -0.534 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.591 0.492 -0.914 1.00 0.00 H new ATOM 0 HB ILE A 17 -16.172 2.937 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -17.830 1.444 -4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -18.462 1.028 -2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.555 1.238 -4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.522 1.136 -2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.829 -0.047 -3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -19.672 2.924 -3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -18.795 3.419 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -18.153 3.841 -3.704 1.00 0.00 H new ATOM 264 N ARG A 18 -14.355 1.187 0.063 1.00 0.00 N ATOM 265 CA ARG A 18 -13.072 1.592 0.599 1.00 0.00 C ATOM 266 C ARG A 18 -11.933 0.962 -0.188 1.00 0.00 C ATOM 267 O ARG A 18 -11.750 -0.256 -0.180 1.00 0.00 O ATOM 268 CB ARG A 18 -12.949 1.224 2.076 1.00 0.00 C ATOM 269 CG ARG A 18 -11.762 1.882 2.761 1.00 0.00 C ATOM 270 CD ARG A 18 -11.620 1.438 4.205 1.00 0.00 C ATOM 271 NE ARG A 18 -11.285 0.015 4.302 1.00 0.00 N ATOM 272 CZ ARG A 18 -10.041 -0.470 4.214 1.00 0.00 C ATOM 273 NH1 ARG A 18 -9.013 0.345 3.978 1.00 0.00 N ATOM 274 NH2 ARG A 18 -9.826 -1.762 4.346 1.00 0.00 N ATOM 0 H ARG A 18 -14.560 0.191 0.141 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.006 2.676 0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.864 1.513 2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.859 0.142 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.849 1.640 2.216 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.877 2.965 2.725 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.845 2.029 4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.551 1.630 4.738 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.047 -0.647 4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.172 1.346 3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.068 -0.032 3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.608 -2.394 4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.877 -2.131 4.279 1.00 0.00 H new ATOM 288 N HIS A 19 -11.184 1.786 -0.877 1.00 0.00 N ATOM 289 CA HIS A 19 -10.034 1.320 -1.634 1.00 0.00 C ATOM 290 C HIS A 19 -8.848 1.172 -0.703 1.00 0.00 C ATOM 291 O HIS A 19 -8.265 2.170 -0.277 1.00 0.00 O ATOM 292 CB HIS A 19 -9.716 2.303 -2.785 1.00 0.00 C ATOM 293 CG HIS A 19 -8.605 1.863 -3.711 1.00 0.00 C ATOM 294 ND1 HIS A 19 -8.804 1.609 -5.056 1.00 0.00 N ATOM 295 CD2 HIS A 19 -7.280 1.663 -3.493 1.00 0.00 C ATOM 296 CE1 HIS A 19 -7.657 1.273 -5.615 1.00 0.00 C ATOM 297 NE2 HIS A 19 -6.718 1.298 -4.691 1.00 0.00 N ATOM 0 H HIS A 19 -11.346 2.791 -0.933 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.257 0.349 -2.076 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.621 2.455 -3.374 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -9.450 3.269 -2.355 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -9.699 1.672 -5.541 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -6.763 1.771 -2.551 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.512 1.020 -6.655 1.00 0.00 H new ATOM 305 N ASP A 20 -8.517 -0.067 -0.366 1.00 0.00 N ATOM 306 CA ASP A 20 -7.379 -0.322 0.497 1.00 0.00 C ATOM 307 C ASP A 20 -6.111 -0.049 -0.281 1.00 0.00 C ATOM 308 O ASP A 20 -6.006 -0.409 -1.458 1.00 0.00 O ATOM 309 CB ASP A 20 -7.388 -1.750 1.032 1.00 0.00 C ATOM 310 CG ASP A 20 -6.633 -1.860 2.340 1.00 0.00 C ATOM 311 OD1 ASP A 20 -5.408 -1.684 2.347 1.00 0.00 O ATOM 312 OD2 ASP A 20 -7.284 -2.105 3.385 1.00 0.00 O ATOM 0 H ASP A 20 -9.016 -0.901 -0.675 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.434 0.339 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.417 -2.078 1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.941 -2.418 0.296 1.00 0.00 H new ATOM 317 N ASP A 21 -5.170 0.597 0.351 1.00 0.00 N ATOM 318 CA ASP A 21 -3.970 1.038 -0.331 1.00 0.00 C ATOM 319 C ASP A 21 -2.783 0.086 -0.164 1.00 0.00 C ATOM 320 O ASP A 21 -1.710 0.320 -0.734 1.00 0.00 O ATOM 321 CB ASP A 21 -3.619 2.449 0.112 1.00 0.00 C ATOM 322 CG ASP A 21 -3.186 2.531 1.565 1.00 0.00 C ATOM 323 OD1 ASP A 21 -4.058 2.428 2.460 1.00 0.00 O ATOM 324 OD2 ASP A 21 -1.983 2.718 1.826 1.00 0.00 O ATOM 0 H ASP A 21 -5.205 0.834 1.342 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.188 1.036 -1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.819 2.833 -0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.483 3.096 -0.040 1.00 0.00 H new ATOM 329 N ASP A 22 -2.966 -0.986 0.586 1.00 0.00 N ATOM 330 CA ASP A 22 -1.905 -1.977 0.752 1.00 0.00 C ATOM 331 C ASP A 22 -2.478 -3.387 0.742 1.00 0.00 C ATOM 332 O ASP A 22 -3.616 -3.601 1.145 1.00 0.00 O ATOM 333 CB ASP A 22 -1.065 -1.725 2.031 1.00 0.00 C ATOM 334 CG ASP A 22 -1.858 -1.807 3.323 1.00 0.00 C ATOM 335 OD1 ASP A 22 -2.333 -0.758 3.799 1.00 0.00 O ATOM 336 OD2 ASP A 22 -1.975 -2.918 3.887 1.00 0.00 O ATOM 0 H ASP A 22 -3.829 -1.196 1.088 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.229 -1.874 -0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.254 -2.453 2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.606 -0.739 1.962 1.00 0.00 H new ATOM 341 N PRO A 23 -1.699 -4.373 0.236 1.00 0.00 N ATOM 342 CA PRO A 23 -2.145 -5.764 0.162 1.00 0.00 C ATOM 343 C PRO A 23 -2.534 -6.314 1.533 1.00 0.00 C ATOM 344 O PRO A 23 -1.712 -6.368 2.455 1.00 0.00 O ATOM 345 CB PRO A 23 -0.924 -6.517 -0.405 1.00 0.00 C ATOM 346 CG PRO A 23 0.230 -5.589 -0.212 1.00 0.00 C ATOM 347 CD PRO A 23 -0.338 -4.204 -0.297 1.00 0.00 C ATOM 0 HA PRO A 23 -3.038 -5.873 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.764 -7.459 0.119 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.064 -6.758 -1.459 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.709 -5.756 0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.990 -5.747 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.241 -3.493 0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.349 -3.834 -1.322 1.00 0.00 H new ATOM 355 N THR A 24 -3.783 -6.732 1.655 1.00 0.00 N ATOM 356 CA THR A 24 -4.303 -7.243 2.895 1.00 0.00 C ATOM 357 C THR A 24 -3.852 -8.678 3.108 1.00 0.00 C ATOM 358 O THR A 24 -3.912 -9.208 4.221 1.00 0.00 O ATOM 359 CB THR A 24 -5.844 -7.168 2.885 1.00 0.00 C ATOM 360 OG1 THR A 24 -6.351 -7.836 1.715 1.00 0.00 O ATOM 361 CG2 THR A 24 -6.293 -5.719 2.867 1.00 0.00 C ATOM 0 H THR A 24 -4.459 -6.723 0.891 1.00 0.00 H new ATOM 0 HA THR A 24 -3.920 -6.635 3.714 1.00 0.00 H new ATOM 0 HB THR A 24 -6.228 -7.653 3.782 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.712 -8.711 1.968 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.382 -5.676 2.860 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.915 -5.210 3.754 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.905 -5.229 1.974 1.00 0.00 H new ATOM 369 N GLY A 25 -3.379 -9.296 2.035 1.00 0.00 N ATOM 370 CA GLY A 25 -2.950 -10.673 2.097 1.00 0.00 C ATOM 371 C GLY A 25 -4.127 -11.606 2.000 1.00 0.00 C ATOM 372 O GLY A 25 -4.228 -12.405 1.064 1.00 0.00 O ATOM 0 H GLY A 25 -3.285 -8.862 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.251 -10.877 1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.416 -10.850 3.031 1.00 0.00 H new ATOM 376 N ASP A 26 -5.027 -11.483 2.955 1.00 0.00 N ATOM 377 CA ASP A 26 -6.236 -12.271 2.992 1.00 0.00 C ATOM 378 C ASP A 26 -7.297 -11.665 2.094 1.00 0.00 C ATOM 379 O ASP A 26 -7.542 -10.451 2.131 1.00 0.00 O ATOM 380 CB ASP A 26 -6.769 -12.357 4.419 1.00 0.00 C ATOM 381 CG ASP A 26 -6.049 -13.387 5.268 1.00 0.00 C ATOM 382 OD1 ASP A 26 -6.400 -14.589 5.181 1.00 0.00 O ATOM 383 OD2 ASP A 26 -5.141 -13.006 6.041 1.00 0.00 O ATOM 0 H ASP A 26 -4.936 -10.828 3.731 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.998 -13.273 2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.679 -11.379 4.892 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.831 -12.600 4.389 1.00 0.00 H new ATOM 388 N TYR A 27 -7.906 -12.501 1.282 1.00 0.00 N ATOM 389 CA TYR A 27 -8.978 -12.094 0.402 1.00 0.00 C ATOM 390 C TYR A 27 -9.828 -13.311 0.072 1.00 0.00 C ATOM 391 O TYR A 27 -9.288 -14.385 -0.228 1.00 0.00 O ATOM 392 CB TYR A 27 -8.425 -11.437 -0.890 1.00 0.00 C ATOM 393 CG TYR A 27 -7.624 -12.365 -1.795 1.00 0.00 C ATOM 394 CD1 TYR A 27 -8.179 -12.864 -2.967 1.00 0.00 C ATOM 395 CD2 TYR A 27 -6.324 -12.738 -1.474 1.00 0.00 C ATOM 396 CE1 TYR A 27 -7.456 -13.705 -3.798 1.00 0.00 C ATOM 397 CE2 TYR A 27 -5.599 -13.579 -2.297 1.00 0.00 C ATOM 398 CZ TYR A 27 -6.171 -14.056 -3.458 1.00 0.00 C ATOM 399 OH TYR A 27 -5.451 -14.891 -4.285 1.00 0.00 O ATOM 0 H TYR A 27 -7.669 -13.491 1.214 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.591 -11.345 0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.261 -11.032 -1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.793 -10.595 -0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.189 -12.592 -3.235 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.873 -12.364 -0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.899 -14.083 -4.708 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.591 -13.861 -2.033 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.561 -15.041 -3.904 1.00 0.00 H new ATOM 409 N SER A 28 -11.143 -13.171 0.160 1.00 0.00 N ATOM 410 CA SER A 28 -12.028 -14.286 -0.140 1.00 0.00 C ATOM 411 C SER A 28 -11.904 -14.680 -1.618 1.00 0.00 C ATOM 412 O SER A 28 -11.849 -15.865 -1.949 1.00 0.00 O ATOM 413 CB SER A 28 -13.472 -13.898 0.180 1.00 0.00 C ATOM 414 OG SER A 28 -13.575 -13.386 1.503 1.00 0.00 O ATOM 0 H SER A 28 -11.615 -12.309 0.433 1.00 0.00 H new ATOM 0 HA SER A 28 -11.742 -15.141 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.819 -13.150 -0.533 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.120 -14.767 0.070 1.00 0.00 H new ATOM 0 HG SER A 28 -14.506 -13.142 1.688 1.00 0.00 H new ATOM 420 N SER A 29 -11.821 -13.665 -2.481 1.00 0.00 N ATOM 421 CA SER A 29 -11.672 -13.838 -3.922 1.00 0.00 C ATOM 422 C SER A 29 -11.811 -12.476 -4.592 1.00 0.00 C ATOM 423 O SER A 29 -12.561 -11.624 -4.107 1.00 0.00 O ATOM 424 CB SER A 29 -12.739 -14.798 -4.473 1.00 0.00 C ATOM 425 OG SER A 29 -12.511 -15.092 -5.839 1.00 0.00 O ATOM 0 H SER A 29 -11.856 -12.688 -2.191 1.00 0.00 H new ATOM 0 HA SER A 29 -10.692 -14.266 -4.132 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.734 -15.722 -3.894 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.727 -14.353 -4.355 1.00 0.00 H new ATOM 0 HG SER A 29 -13.101 -15.822 -6.119 1.00 0.00 H new ATOM 431 N LYS A 30 -11.087 -12.263 -5.682 1.00 0.00 N ATOM 432 CA LYS A 30 -11.163 -11.000 -6.402 1.00 0.00 C ATOM 433 C LYS A 30 -12.556 -10.799 -6.980 1.00 0.00 C ATOM 434 O LYS A 30 -13.149 -9.724 -6.853 1.00 0.00 O ATOM 435 CB LYS A 30 -10.130 -10.950 -7.517 1.00 0.00 C ATOM 436 CG LYS A 30 -10.090 -9.609 -8.222 1.00 0.00 C ATOM 437 CD LYS A 30 -9.050 -9.582 -9.309 1.00 0.00 C ATOM 438 CE LYS A 30 -9.006 -8.231 -9.990 1.00 0.00 C ATOM 439 NZ LYS A 30 -7.982 -8.182 -11.055 1.00 0.00 N ATOM 0 H LYS A 30 -10.444 -12.944 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.953 -10.197 -5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.145 -11.167 -7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.350 -11.731 -8.245 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.069 -9.394 -8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.879 -8.823 -7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.072 -9.811 -8.886 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.269 -10.356 -10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.984 -8.008 -10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.797 -7.458 -9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.985 -7.240 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.045 -8.370 -10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.195 -8.902 -11.775 1.00 0.00 H new ATOM 453 N GLU A 31 -13.086 -11.855 -7.590 1.00 0.00 N ATOM 454 CA GLU A 31 -14.397 -11.803 -8.188 1.00 0.00 C ATOM 455 C GLU A 31 -15.446 -11.610 -7.131 1.00 0.00 C ATOM 456 O GLU A 31 -16.396 -10.928 -7.348 1.00 0.00 O ATOM 457 CB GLU A 31 -14.680 -13.071 -8.984 1.00 0.00 C ATOM 458 CG GLU A 31 -14.793 -14.311 -8.122 1.00 0.00 C ATOM 459 CD GLU A 31 -14.748 -15.584 -8.921 1.00 0.00 C ATOM 460 OE1 GLU A 31 -15.811 -16.184 -9.156 1.00 0.00 O ATOM 461 OE2 GLU A 31 -13.639 -15.992 -9.319 1.00 0.00 O ATOM 0 H GLU A 31 -12.618 -12.757 -7.678 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.426 -10.955 -8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.607 -12.941 -9.543 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.885 -13.217 -9.715 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.982 -14.316 -7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.726 -14.273 -7.560 1.00 0.00 H new ATOM 468 N ALA A 32 -15.244 -12.218 -5.965 1.00 0.00 N ATOM 469 CA ALA A 32 -16.201 -12.100 -4.873 1.00 0.00 C ATOM 470 C ALA A 32 -16.317 -10.669 -4.422 1.00 0.00 C ATOM 471 O ALA A 32 -17.407 -10.193 -4.110 1.00 0.00 O ATOM 472 CB ALA A 32 -15.791 -12.963 -3.704 1.00 0.00 C ATOM 0 H ALA A 32 -14.429 -12.795 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 32 -17.169 -12.439 -5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -16.521 -12.858 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.746 -14.005 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.810 -12.649 -3.346 1.00 0.00 H new ATOM 478 N ALA A 33 -15.191 -9.974 -4.415 1.00 0.00 N ATOM 479 CA ALA A 33 -15.171 -8.599 -3.994 1.00 0.00 C ATOM 480 C ALA A 33 -15.902 -7.731 -4.997 1.00 0.00 C ATOM 481 O ALA A 33 -16.800 -6.988 -4.625 1.00 0.00 O ATOM 482 CB ALA A 33 -13.737 -8.117 -3.808 1.00 0.00 C ATOM 0 H ALA A 33 -14.284 -10.347 -4.697 1.00 0.00 H new ATOM 0 HA ALA A 33 -15.683 -8.522 -3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.742 -7.075 -3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.244 -8.726 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.198 -8.205 -4.751 1.00 0.00 H new ATOM 488 N PHE A 34 -15.543 -7.847 -6.273 1.00 0.00 N ATOM 489 CA PHE A 34 -16.207 -7.055 -7.310 1.00 0.00 C ATOM 490 C PHE A 34 -17.662 -7.457 -7.496 1.00 0.00 C ATOM 491 O PHE A 34 -18.532 -6.598 -7.654 1.00 0.00 O ATOM 492 CB PHE A 34 -15.451 -7.130 -8.632 1.00 0.00 C ATOM 493 CG PHE A 34 -14.144 -6.437 -8.574 1.00 0.00 C ATOM 494 CD1 PHE A 34 -12.965 -7.149 -8.624 1.00 0.00 C ATOM 495 CD2 PHE A 34 -14.094 -5.060 -8.445 1.00 0.00 C ATOM 496 CE1 PHE A 34 -11.749 -6.509 -8.549 1.00 0.00 C ATOM 497 CE2 PHE A 34 -12.876 -4.409 -8.368 1.00 0.00 C ATOM 498 CZ PHE A 34 -11.700 -5.142 -8.423 1.00 0.00 C ATOM 0 H PHE A 34 -14.810 -8.470 -6.612 1.00 0.00 H new ATOM 0 HA PHE A 34 -16.198 -6.020 -6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.294 -8.175 -8.899 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -16.059 -6.688 -9.421 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -12.996 -8.224 -8.723 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -15.011 -4.491 -8.404 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.834 -7.081 -8.589 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.841 -3.334 -8.265 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.746 -4.638 -8.367 1.00 0.00 H new ATOM 508 N GLU A 35 -17.923 -8.756 -7.469 1.00 0.00 N ATOM 509 CA GLU A 35 -19.266 -9.276 -7.630 1.00 0.00 C ATOM 510 C GLU A 35 -20.184 -8.712 -6.567 1.00 0.00 C ATOM 511 O GLU A 35 -21.208 -8.105 -6.872 1.00 0.00 O ATOM 512 CB GLU A 35 -19.268 -10.804 -7.535 1.00 0.00 C ATOM 513 CG GLU A 35 -20.653 -11.415 -7.620 1.00 0.00 C ATOM 514 CD GLU A 35 -21.293 -11.223 -8.973 1.00 0.00 C ATOM 515 OE1 GLU A 35 -22.046 -10.249 -9.143 1.00 0.00 O ATOM 516 OE2 GLU A 35 -21.039 -12.035 -9.880 1.00 0.00 O ATOM 0 H GLU A 35 -17.211 -9.474 -7.335 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.625 -8.976 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -18.651 -11.210 -8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -18.806 -11.102 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -20.589 -12.481 -7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.289 -10.970 -6.855 1.00 0.00 H new ATOM 523 N ALA A 36 -19.792 -8.881 -5.319 1.00 0.00 N ATOM 524 CA ALA A 36 -20.595 -8.407 -4.206 1.00 0.00 C ATOM 525 C ALA A 36 -20.686 -6.900 -4.201 1.00 0.00 C ATOM 526 O ALA A 36 -21.745 -6.337 -3.945 1.00 0.00 O ATOM 527 CB ALA A 36 -20.034 -8.896 -2.893 1.00 0.00 C ATOM 0 H ALA A 36 -18.923 -9.342 -5.049 1.00 0.00 H new ATOM 0 HA ALA A 36 -21.600 -8.811 -4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -20.652 -8.528 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -20.029 -9.986 -2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -19.015 -8.527 -2.773 1.00 0.00 H new ATOM 533 N ALA A 37 -19.572 -6.249 -4.499 1.00 0.00 N ATOM 534 CA ALA A 37 -19.517 -4.805 -4.517 1.00 0.00 C ATOM 535 C ALA A 37 -20.509 -4.232 -5.513 1.00 0.00 C ATOM 536 O ALA A 37 -21.301 -3.356 -5.173 1.00 0.00 O ATOM 537 CB ALA A 37 -18.109 -4.333 -4.834 1.00 0.00 C ATOM 0 H ALA A 37 -18.691 -6.707 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 37 -19.791 -4.444 -3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -18.084 -3.243 -4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.421 -4.705 -4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.810 -4.712 -5.811 1.00 0.00 H new ATOM 543 N CYS A 38 -20.482 -4.736 -6.741 1.00 0.00 N ATOM 544 CA CYS A 38 -21.383 -4.252 -7.763 1.00 0.00 C ATOM 545 C CYS A 38 -22.834 -4.626 -7.445 1.00 0.00 C ATOM 546 O CYS A 38 -23.761 -3.842 -7.692 1.00 0.00 O ATOM 547 CB CYS A 38 -20.981 -4.751 -9.145 1.00 0.00 C ATOM 548 SG CYS A 38 -21.149 -6.539 -9.416 1.00 0.00 S ATOM 0 H CYS A 38 -19.848 -5.475 -7.046 1.00 0.00 H new ATOM 0 HA CYS A 38 -21.311 -3.164 -7.772 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -21.585 -4.231 -9.889 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -19.943 -4.471 -9.325 1.00 0.00 H new ATOM 0 HG CYS A 38 -21.294 -7.140 -8.272 1.00 0.00 H new ATOM 554 N ALA A 39 -23.024 -5.828 -6.888 1.00 0.00 N ATOM 555 CA ALA A 39 -24.348 -6.308 -6.523 1.00 0.00 C ATOM 556 C ALA A 39 -24.964 -5.407 -5.473 1.00 0.00 C ATOM 557 O ALA A 39 -26.114 -4.965 -5.606 1.00 0.00 O ATOM 558 CB ALA A 39 -24.267 -7.737 -6.007 1.00 0.00 C ATOM 0 H ALA A 39 -22.270 -6.483 -6.682 1.00 0.00 H new ATOM 0 HA ALA A 39 -24.980 -6.292 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -25.265 -8.084 -5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -23.856 -8.382 -6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -23.622 -7.771 -5.129 1.00 0.00 H new ATOM 564 N ALA A 40 -24.192 -5.129 -4.440 1.00 0.00 N ATOM 565 CA ALA A 40 -24.622 -4.251 -3.373 1.00 0.00 C ATOM 566 C ALA A 40 -24.823 -2.832 -3.887 1.00 0.00 C ATOM 567 O ALA A 40 -25.755 -2.153 -3.485 1.00 0.00 O ATOM 568 CB ALA A 40 -23.618 -4.268 -2.232 1.00 0.00 C ATOM 0 H ALA A 40 -23.252 -5.505 -4.318 1.00 0.00 H new ATOM 0 HA ALA A 40 -25.578 -4.615 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -23.958 -3.602 -1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -23.528 -5.282 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -22.647 -3.932 -2.597 1.00 0.00 H new ATOM 574 N ALA A 41 -23.949 -2.404 -4.800 1.00 0.00 N ATOM 575 CA ALA A 41 -24.012 -1.061 -5.369 1.00 0.00 C ATOM 576 C ALA A 41 -25.322 -0.817 -6.075 1.00 0.00 C ATOM 577 O ALA A 41 -25.937 0.236 -5.907 1.00 0.00 O ATOM 578 CB ALA A 41 -22.860 -0.833 -6.334 1.00 0.00 C ATOM 0 H ALA A 41 -23.185 -2.975 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 41 -23.934 -0.356 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -22.925 0.174 -6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -21.914 -0.948 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -22.914 -1.561 -7.143 1.00 0.00 H new ATOM 584 N SER A 42 -25.754 -1.790 -6.862 1.00 0.00 N ATOM 585 CA SER A 42 -26.983 -1.648 -7.601 1.00 0.00 C ATOM 586 C SER A 42 -28.169 -1.456 -6.652 1.00 0.00 C ATOM 587 O SER A 42 -28.958 -0.531 -6.811 1.00 0.00 O ATOM 588 CB SER A 42 -27.217 -2.864 -8.482 1.00 0.00 C ATOM 589 OG SER A 42 -26.144 -3.042 -9.404 1.00 0.00 O ATOM 0 H SER A 42 -25.271 -2.678 -7.000 1.00 0.00 H new ATOM 0 HA SER A 42 -26.896 -0.764 -8.233 1.00 0.00 H new ATOM 0 HB2 SER A 42 -27.318 -3.754 -7.860 1.00 0.00 H new ATOM 0 HB3 SER A 42 -28.154 -2.748 -9.027 1.00 0.00 H new ATOM 0 HG SER A 42 -25.334 -3.302 -8.917 1.00 0.00 H new ATOM 595 N ASN A 43 -28.260 -2.331 -5.652 1.00 0.00 N ATOM 596 CA ASN A 43 -29.315 -2.279 -4.638 1.00 0.00 C ATOM 597 C ASN A 43 -29.240 -1.024 -3.776 1.00 0.00 C ATOM 598 O ASN A 43 -30.264 -0.403 -3.489 1.00 0.00 O ATOM 599 CB ASN A 43 -29.266 -3.547 -3.771 1.00 0.00 C ATOM 600 CG ASN A 43 -30.053 -3.445 -2.468 1.00 0.00 C ATOM 601 OD1 ASN A 43 -31.261 -3.661 -2.440 1.00 0.00 O ATOM 602 ND2 ASN A 43 -29.355 -3.152 -1.366 1.00 0.00 N ATOM 0 H ASN A 43 -27.602 -3.099 -5.521 1.00 0.00 H new ATOM 0 HA ASN A 43 -30.271 -2.235 -5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -29.652 -4.385 -4.351 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -28.226 -3.774 -3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -29.826 -3.102 -0.462 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -28.352 -2.979 -1.429 1.00 0.00 H new ATOM 609 N ALA A 44 -28.037 -0.649 -3.371 1.00 0.00 N ATOM 610 CA ALA A 44 -27.851 0.511 -2.514 1.00 0.00 C ATOM 611 C ALA A 44 -28.357 1.779 -3.182 1.00 0.00 C ATOM 612 O ALA A 44 -29.177 2.495 -2.628 1.00 0.00 O ATOM 613 CB ALA A 44 -26.383 0.663 -2.145 1.00 0.00 C ATOM 0 H ALA A 44 -27.174 -1.132 -3.622 1.00 0.00 H new ATOM 0 HA ALA A 44 -28.433 0.353 -1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -26.258 1.535 -1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -26.047 -0.228 -1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -25.791 0.791 -3.051 1.00 0.00 H new ATOM 619 N ILE A 45 -27.907 2.013 -4.389 1.00 0.00 N ATOM 620 CA ILE A 45 -28.307 3.184 -5.146 1.00 0.00 C ATOM 621 C ILE A 45 -29.797 3.125 -5.467 1.00 0.00 C ATOM 622 O ILE A 45 -30.509 4.130 -5.371 1.00 0.00 O ATOM 623 CB ILE A 45 -27.477 3.329 -6.444 1.00 0.00 C ATOM 624 CG1 ILE A 45 -26.003 3.606 -6.101 1.00 0.00 C ATOM 625 CG2 ILE A 45 -28.035 4.432 -7.342 1.00 0.00 C ATOM 626 CD1 ILE A 45 -25.779 4.874 -5.290 1.00 0.00 C ATOM 0 H ILE A 45 -27.254 1.401 -4.879 1.00 0.00 H new ATOM 0 HA ILE A 45 -28.115 4.062 -4.530 1.00 0.00 H new ATOM 0 HB ILE A 45 -27.543 2.390 -6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -25.605 2.757 -5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -25.433 3.675 -7.027 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -27.429 4.508 -8.245 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -29.063 4.194 -7.614 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -28.011 5.382 -6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -24.714 4.995 -5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -26.143 5.734 -5.852 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -26.319 4.802 -4.346 1.00 0.00 H new ATOM 638 N LYS A 46 -30.256 1.933 -5.834 1.00 0.00 N ATOM 639 CA LYS A 46 -31.652 1.692 -6.187 1.00 0.00 C ATOM 640 C LYS A 46 -32.590 2.054 -5.026 1.00 0.00 C ATOM 641 O LYS A 46 -33.674 2.608 -5.238 1.00 0.00 O ATOM 642 CB LYS A 46 -31.844 0.212 -6.538 1.00 0.00 C ATOM 643 CG LYS A 46 -33.234 -0.143 -7.017 1.00 0.00 C ATOM 644 CD LYS A 46 -33.339 -1.623 -7.346 1.00 0.00 C ATOM 645 CE LYS A 46 -34.731 -1.983 -7.831 1.00 0.00 C ATOM 646 NZ LYS A 46 -35.083 -1.248 -9.061 1.00 0.00 N ATOM 0 H LYS A 46 -29.668 1.102 -5.895 1.00 0.00 H new ATOM 0 HA LYS A 46 -31.897 2.321 -7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.126 -0.061 -7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.611 -0.390 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.963 0.114 -6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.479 0.447 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -32.607 -1.880 -8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -33.096 -2.212 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -34.786 -3.055 -8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.458 -1.758 -7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -35.913 -1.691 -9.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -35.303 -0.260 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -34.281 -1.275 -9.723 1.00 0.00 H new ATOM 660 N PHE A 47 -32.169 1.731 -3.810 1.00 0.00 N ATOM 661 CA PHE A 47 -32.993 1.967 -2.626 1.00 0.00 C ATOM 662 C PHE A 47 -32.795 3.389 -2.071 1.00 0.00 C ATOM 663 O PHE A 47 -33.633 3.894 -1.321 1.00 0.00 O ATOM 664 CB PHE A 47 -32.647 0.929 -1.541 1.00 0.00 C ATOM 665 CG PHE A 47 -33.674 0.814 -0.437 1.00 0.00 C ATOM 666 CD1 PHE A 47 -34.655 -0.168 -0.488 1.00 0.00 C ATOM 667 CD2 PHE A 47 -33.660 1.681 0.642 1.00 0.00 C ATOM 668 CE1 PHE A 47 -35.593 -0.283 0.520 1.00 0.00 C ATOM 669 CE2 PHE A 47 -34.595 1.573 1.650 1.00 0.00 C ATOM 670 CZ PHE A 47 -35.561 0.591 1.588 1.00 0.00 C ATOM 0 H PHE A 47 -31.263 1.305 -3.615 1.00 0.00 H new ATOM 0 HA PHE A 47 -34.039 1.866 -2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -32.528 -0.046 -2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -31.685 1.189 -1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -34.685 -0.850 -1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -32.906 2.453 0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -36.348 -1.054 0.473 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -34.571 2.256 2.486 1.00 0.00 H new ATOM 0 HZ PHE A 47 -36.294 0.505 2.377 1.00 0.00 H new ATOM 680 N GLY A 48 -31.720 4.038 -2.464 1.00 0.00 N ATOM 681 CA GLY A 48 -31.423 5.351 -1.910 1.00 0.00 C ATOM 682 C GLY A 48 -30.554 5.241 -0.686 1.00 0.00 C ATOM 683 O GLY A 48 -30.544 6.127 0.176 1.00 0.00 O ATOM 0 H GLY A 48 -31.048 3.692 -3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.922 5.961 -2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -32.353 5.860 -1.655 1.00 0.00 H new ATOM 687 N HIS A 49 -29.840 4.139 -0.603 1.00 0.00 N ATOM 688 CA HIS A 49 -28.913 3.897 0.474 1.00 0.00 C ATOM 689 C HIS A 49 -27.791 4.891 0.391 1.00 0.00 C ATOM 690 O HIS A 49 -27.312 5.195 -0.704 1.00 0.00 O ATOM 691 CB HIS A 49 -28.337 2.484 0.377 1.00 0.00 C ATOM 692 CG HIS A 49 -29.307 1.401 0.705 1.00 0.00 C ATOM 693 ND1 HIS A 49 -29.093 0.076 0.391 1.00 0.00 N ATOM 694 CD2 HIS A 49 -30.495 1.444 1.333 1.00 0.00 C ATOM 695 CE1 HIS A 49 -30.112 -0.642 0.809 1.00 0.00 C ATOM 696 NE2 HIS A 49 -30.973 0.163 1.386 1.00 0.00 N ATOM 0 H HIS A 49 -29.889 3.383 -1.286 1.00 0.00 H new ATOM 0 HA HIS A 49 -29.440 4.000 1.423 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -27.962 2.326 -0.634 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -27.483 2.406 1.049 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -30.982 2.326 1.723 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -30.222 -1.711 0.697 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -31.858 -0.121 1.807 1.00 0.00 H new ATOM 704 N GLU A 50 -27.390 5.427 1.525 1.00 0.00 N ATOM 705 CA GLU A 50 -26.299 6.361 1.543 1.00 0.00 C ATOM 706 C GLU A 50 -25.047 5.708 0.996 1.00 0.00 C ATOM 707 O GLU A 50 -24.749 4.548 1.305 1.00 0.00 O ATOM 708 CB GLU A 50 -26.036 6.888 2.941 1.00 0.00 C ATOM 709 CG GLU A 50 -24.903 7.906 2.976 1.00 0.00 C ATOM 710 CD GLU A 50 -24.502 8.306 4.365 1.00 0.00 C ATOM 711 OE1 GLU A 50 -23.357 7.988 4.760 1.00 0.00 O ATOM 712 OE2 GLU A 50 -25.311 8.950 5.061 1.00 0.00 O ATOM 0 H GLU A 50 -27.803 5.230 2.436 1.00 0.00 H new ATOM 0 HA GLU A 50 -26.576 7.206 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -26.945 7.347 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -25.792 6.055 3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.036 7.491 2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -25.207 8.795 2.424 1.00 0.00 H new ATOM 719 N VAL A 51 -24.320 6.452 0.210 1.00 0.00 N ATOM 720 CA VAL A 51 -23.125 5.965 -0.404 1.00 0.00 C ATOM 721 C VAL A 51 -21.907 6.635 0.209 1.00 0.00 C ATOM 722 O VAL A 51 -21.902 7.840 0.476 1.00 0.00 O ATOM 723 CB VAL A 51 -23.148 6.187 -1.948 1.00 0.00 C ATOM 724 CG1 VAL A 51 -23.386 7.654 -2.290 1.00 0.00 C ATOM 725 CG2 VAL A 51 -21.865 5.683 -2.600 1.00 0.00 C ATOM 0 H VAL A 51 -24.545 7.420 -0.022 1.00 0.00 H new ATOM 0 HA VAL A 51 -23.068 4.892 -0.222 1.00 0.00 H new ATOM 0 HB VAL A 51 -23.979 5.606 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -23.397 7.778 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -24.344 7.973 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -22.588 8.261 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -21.913 5.852 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -21.011 6.219 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -21.753 4.616 -2.405 1.00 0.00 H new ATOM 735 N ARG A 52 -20.915 5.835 0.502 1.00 0.00 N ATOM 736 CA ARG A 52 -19.667 6.325 1.029 1.00 0.00 C ATOM 737 C ARG A 52 -18.556 5.971 0.073 1.00 0.00 C ATOM 738 O ARG A 52 -18.480 4.847 -0.410 1.00 0.00 O ATOM 739 CB ARG A 52 -19.405 5.735 2.413 1.00 0.00 C ATOM 740 CG ARG A 52 -20.424 6.168 3.456 1.00 0.00 C ATOM 741 CD ARG A 52 -20.021 7.474 4.148 1.00 0.00 C ATOM 742 NE ARG A 52 -19.636 8.547 3.212 1.00 0.00 N ATOM 743 CZ ARG A 52 -20.469 9.487 2.742 1.00 0.00 C ATOM 744 NH1 ARG A 52 -21.775 9.371 2.912 1.00 0.00 N ATOM 745 NH2 ARG A 52 -19.986 10.508 2.050 1.00 0.00 N ATOM 0 H ARG A 52 -20.949 4.823 0.382 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.714 7.409 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -19.408 4.647 2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -18.409 6.031 2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -21.397 6.295 2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -20.534 5.382 4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -20.852 7.821 4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -19.188 7.276 4.822 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.666 8.576 2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -22.155 8.562 3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -22.402 10.090 2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.983 10.577 1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.617 11.225 1.691 1.00 0.00 H new ATOM 759 N ILE A 53 -17.705 6.918 -0.198 1.00 0.00 N ATOM 760 CA ILE A 53 -16.644 6.723 -1.125 1.00 0.00 C ATOM 761 C ILE A 53 -15.342 7.056 -0.477 1.00 0.00 C ATOM 762 O ILE A 53 -15.123 8.184 -0.035 1.00 0.00 O ATOM 763 CB ILE A 53 -16.810 7.561 -2.439 1.00 0.00 C ATOM 764 CG1 ILE A 53 -17.112 9.063 -2.152 1.00 0.00 C ATOM 765 CG2 ILE A 53 -17.874 6.952 -3.341 1.00 0.00 C ATOM 766 CD1 ILE A 53 -18.553 9.370 -1.750 1.00 0.00 C ATOM 0 H ILE A 53 -17.733 7.847 0.222 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.668 5.673 -1.416 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.854 7.526 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -16.449 9.405 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -16.868 9.643 -3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.970 7.552 -4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -17.586 5.935 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -18.829 6.932 -2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -18.661 10.440 -1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -19.227 9.065 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -18.801 8.824 -0.840 1.00 0.00 H new ATOM 778 N THR A 54 -14.495 6.082 -0.372 1.00 0.00 N ATOM 779 CA THR A 54 -13.216 6.309 0.194 1.00 0.00 C ATOM 780 C THR A 54 -12.123 5.739 -0.690 1.00 0.00 C ATOM 781 O THR A 54 -11.803 4.548 -0.645 1.00 0.00 O ATOM 782 CB THR A 54 -13.126 5.747 1.631 1.00 0.00 C ATOM 783 OG1 THR A 54 -13.890 4.541 1.743 1.00 0.00 O ATOM 784 CG2 THR A 54 -13.624 6.765 2.652 1.00 0.00 C ATOM 0 H THR A 54 -14.672 5.123 -0.673 1.00 0.00 H new ATOM 0 HA THR A 54 -13.068 7.387 0.257 1.00 0.00 H new ATOM 0 HB THR A 54 -12.078 5.531 1.839 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.159 4.240 0.850 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.549 6.342 3.654 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.016 7.667 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.664 7.014 2.440 1.00 0.00 H new ATOM 792 N VAL A 55 -11.584 6.607 -1.522 1.00 0.00 N ATOM 793 CA VAL A 55 -10.492 6.264 -2.423 1.00 0.00 C ATOM 794 C VAL A 55 -9.404 7.349 -2.383 1.00 0.00 C ATOM 795 O VAL A 55 -9.508 8.368 -3.070 1.00 0.00 O ATOM 796 CB VAL A 55 -10.990 6.101 -3.889 1.00 0.00 C ATOM 797 CG1 VAL A 55 -9.865 5.603 -4.788 1.00 0.00 C ATOM 798 CG2 VAL A 55 -12.192 5.164 -3.960 1.00 0.00 C ATOM 0 H VAL A 55 -11.890 7.577 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.081 5.313 -2.085 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.307 7.081 -4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.235 5.496 -5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.043 6.319 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.511 4.637 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.518 5.069 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.912 4.183 -3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.006 5.570 -3.359 1.00 0.00 H new ATOM 808 N PRO A 56 -8.385 7.172 -1.531 1.00 0.00 N ATOM 809 CA PRO A 56 -7.259 8.104 -1.415 1.00 0.00 C ATOM 810 C PRO A 56 -6.213 7.878 -2.509 1.00 0.00 C ATOM 811 O PRO A 56 -6.287 6.897 -3.259 1.00 0.00 O ATOM 812 CB PRO A 56 -6.651 7.770 -0.034 1.00 0.00 C ATOM 813 CG PRO A 56 -7.543 6.722 0.563 1.00 0.00 C ATOM 814 CD PRO A 56 -8.252 6.069 -0.587 1.00 0.00 C ATOM 0 HA PRO A 56 -7.579 9.141 -1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.630 7.403 -0.135 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.610 8.656 0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.962 5.992 1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.256 7.167 1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.676 5.243 -1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.221 5.666 -0.292 1.00 0.00 H new ATOM 822 N GLY A 57 -5.260 8.795 -2.615 1.00 0.00 N ATOM 823 CA GLY A 57 -4.182 8.633 -3.563 1.00 0.00 C ATOM 824 C GLY A 57 -3.075 7.805 -2.960 1.00 0.00 C ATOM 825 O GLY A 57 -2.797 7.930 -1.763 1.00 0.00 O ATOM 0 H GLY A 57 -5.217 9.649 -2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.554 8.152 -4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.797 9.610 -3.856 1.00 0.00 H new ATOM 829 N ASN A 58 -2.442 6.958 -3.761 1.00 0.00 N ATOM 830 CA ASN A 58 -1.397 6.082 -3.236 1.00 0.00 C ATOM 831 C ASN A 58 -0.162 6.882 -2.837 1.00 0.00 C ATOM 832 O ASN A 58 0.402 7.637 -3.638 1.00 0.00 O ATOM 833 CB ASN A 58 -1.026 4.958 -4.235 1.00 0.00 C ATOM 834 CG ASN A 58 -0.223 5.438 -5.443 1.00 0.00 C ATOM 835 OD1 ASN A 58 1.011 5.490 -5.413 1.00 0.00 O ATOM 836 ND2 ASN A 58 -0.913 5.774 -6.509 1.00 0.00 N ATOM 0 H ASN A 58 -2.627 6.857 -4.759 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.799 5.603 -2.343 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.451 4.195 -3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.941 4.482 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.430 6.091 -7.350 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.931 5.718 -6.496 1.00 0.00 H new ATOM 843 N ASP A 59 0.216 6.755 -1.588 1.00 0.00 N ATOM 844 CA ASP A 59 1.405 7.409 -1.086 1.00 0.00 C ATOM 845 C ASP A 59 2.553 6.418 -1.026 1.00 0.00 C ATOM 846 O ASP A 59 3.722 6.794 -1.107 1.00 0.00 O ATOM 847 CB ASP A 59 1.151 8.011 0.303 1.00 0.00 C ATOM 848 CG ASP A 59 0.783 6.973 1.344 1.00 0.00 C ATOM 849 OD1 ASP A 59 -0.397 6.556 1.387 1.00 0.00 O ATOM 850 OD2 ASP A 59 1.665 6.566 2.128 1.00 0.00 O ATOM 0 H ASP A 59 -0.286 6.201 -0.894 1.00 0.00 H new ATOM 0 HA ASP A 59 1.668 8.220 -1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.044 8.544 0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.349 8.746 0.233 1.00 0.00 H new ATOM 855 N GLY A 60 2.209 5.149 -0.894 1.00 0.00 N ATOM 856 CA GLY A 60 3.202 4.116 -0.854 1.00 0.00 C ATOM 857 C GLY A 60 3.332 3.411 -2.182 1.00 0.00 C ATOM 858 O GLY A 60 2.471 2.609 -2.553 1.00 0.00 O ATOM 0 H GLY A 60 1.247 4.820 -0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.164 4.547 -0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.942 3.392 -0.082 1.00 0.00 H new ATOM 862 N SER A 61 4.413 3.685 -2.888 1.00 0.00 N ATOM 863 CA SER A 61 4.672 3.080 -4.186 1.00 0.00 C ATOM 864 C SER A 61 5.170 1.633 -4.021 1.00 0.00 C ATOM 865 O SER A 61 5.851 1.089 -4.893 1.00 0.00 O ATOM 866 CB SER A 61 5.706 3.917 -4.950 1.00 0.00 C ATOM 867 OG SER A 61 5.778 3.539 -6.317 1.00 0.00 O ATOM 0 H SER A 61 5.138 4.333 -2.580 1.00 0.00 H new ATOM 0 HA SER A 61 3.742 3.056 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.446 4.973 -4.877 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.685 3.798 -4.487 1.00 0.00 H new ATOM 0 HG SER A 61 5.817 2.562 -6.385 1.00 0.00 H new ATOM 873 N GLU A 62 4.815 1.019 -2.904 1.00 0.00 N ATOM 874 CA GLU A 62 5.216 -0.335 -2.613 1.00 0.00 C ATOM 875 C GLU A 62 4.148 -1.312 -3.082 1.00 0.00 C ATOM 876 O GLU A 62 4.420 -2.499 -3.287 1.00 0.00 O ATOM 877 CB GLU A 62 5.477 -0.495 -1.117 1.00 0.00 C ATOM 878 CG GLU A 62 6.656 0.327 -0.619 1.00 0.00 C ATOM 879 CD GLU A 62 6.891 0.177 0.863 1.00 0.00 C ATOM 880 OE1 GLU A 62 7.265 -0.925 1.294 1.00 0.00 O ATOM 881 OE2 GLU A 62 6.714 1.172 1.607 1.00 0.00 O ATOM 0 H GLU A 62 4.242 1.450 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 62 6.139 -0.554 -3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.582 -0.204 -0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.658 -1.547 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.555 0.026 -1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.483 1.378 -0.850 1.00 0.00 H new ATOM 888 N THR A 63 2.935 -0.810 -3.243 1.00 0.00 N ATOM 889 CA THR A 63 1.847 -1.608 -3.759 1.00 0.00 C ATOM 890 C THR A 63 1.859 -1.560 -5.284 1.00 0.00 C ATOM 891 O THR A 63 1.734 -2.585 -5.960 1.00 0.00 O ATOM 892 CB THR A 63 0.490 -1.103 -3.227 1.00 0.00 C ATOM 893 OG1 THR A 63 0.556 -0.961 -1.797 1.00 0.00 O ATOM 894 CG2 THR A 63 -0.631 -2.069 -3.589 1.00 0.00 C ATOM 0 H THR A 63 2.683 0.153 -3.021 1.00 0.00 H new ATOM 0 HA THR A 63 1.981 -2.636 -3.423 1.00 0.00 H new ATOM 0 HB THR A 63 0.278 -0.138 -3.687 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.252 -0.509 -1.475 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.577 -1.690 -3.202 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.694 -2.164 -4.673 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.425 -3.046 -3.151 1.00 0.00 H new ATOM 902 N ASN A 64 2.024 -0.355 -5.814 1.00 0.00 N ATOM 903 CA ASN A 64 2.100 -0.141 -7.244 1.00 0.00 C ATOM 904 C ASN A 64 3.551 0.083 -7.673 1.00 0.00 C ATOM 905 O ASN A 64 4.126 1.154 -7.453 1.00 0.00 O ATOM 906 CB ASN A 64 1.199 1.041 -7.678 1.00 0.00 C ATOM 907 CG ASN A 64 1.502 2.345 -6.941 1.00 0.00 C ATOM 908 OD1 ASN A 64 1.949 2.341 -5.794 1.00 0.00 O ATOM 909 ND2 ASN A 64 1.254 3.463 -7.597 1.00 0.00 N ATOM 0 H ASN A 64 2.108 0.498 -5.261 1.00 0.00 H new ATOM 0 HA ASN A 64 1.731 -1.036 -7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.318 1.203 -8.749 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.156 0.773 -7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.433 4.364 -7.154 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.884 3.426 -8.547 1.00 0.00 H new ATOM 916 N LEU A 65 4.140 -0.931 -8.285 1.00 0.00 N ATOM 917 CA LEU A 65 5.536 -0.861 -8.708 1.00 0.00 C ATOM 918 C LEU A 65 5.658 -0.335 -10.131 1.00 0.00 C ATOM 919 O LEU A 65 6.749 0.008 -10.579 1.00 0.00 O ATOM 920 CB LEU A 65 6.218 -2.233 -8.616 1.00 0.00 C ATOM 921 CG LEU A 65 5.631 -3.341 -9.506 1.00 0.00 C ATOM 922 CD1 LEU A 65 6.728 -4.294 -9.947 1.00 0.00 C ATOM 923 CD2 LEU A 65 4.544 -4.108 -8.763 1.00 0.00 C ATOM 0 H LEU A 65 3.677 -1.814 -8.502 1.00 0.00 H new ATOM 0 HA LEU A 65 6.036 -0.170 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.271 -2.111 -8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.177 -2.568 -7.579 1.00 0.00 H new ATOM 0 HG LEU A 65 5.188 -2.876 -10.386 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.301 -5.074 -10.577 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.482 -3.745 -10.511 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.190 -4.748 -9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.142 -4.887 -9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.967 -4.563 -7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.745 -3.423 -8.479 1.00 0.00 H new ATOM 935 N GLY A 66 4.547 -0.282 -10.836 1.00 0.00 N ATOM 936 CA GLY A 66 4.567 0.190 -12.198 1.00 0.00 C ATOM 937 C GLY A 66 3.200 0.167 -12.823 1.00 0.00 C ATOM 938 O GLY A 66 2.678 -0.905 -13.162 1.00 0.00 O ATOM 0 H GLY A 66 3.628 -0.558 -10.489 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.960 1.206 -12.224 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.245 -0.429 -12.786 1.00 0.00 H new ATOM 942 N VAL A 67 2.605 1.334 -12.963 1.00 0.00 N ATOM 943 CA VAL A 67 1.298 1.452 -13.556 1.00 0.00 C ATOM 944 C VAL A 67 1.138 2.801 -14.238 1.00 0.00 C ATOM 945 O VAL A 67 1.247 3.847 -13.600 1.00 0.00 O ATOM 946 CB VAL A 67 0.162 1.247 -12.503 1.00 0.00 C ATOM 947 CG1 VAL A 67 0.367 2.140 -11.283 1.00 0.00 C ATOM 948 CG2 VAL A 67 -1.208 1.490 -13.126 1.00 0.00 C ATOM 0 H VAL A 67 3.015 2.220 -12.669 1.00 0.00 H new ATOM 0 HA VAL A 67 1.210 0.662 -14.302 1.00 0.00 H new ATOM 0 HB VAL A 67 0.206 0.211 -12.168 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.440 1.973 -10.570 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.321 1.901 -10.813 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.367 3.185 -11.593 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.982 1.341 -12.373 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.260 2.511 -13.503 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.363 0.791 -13.948 1.00 0.00 H new ATOM 958 N ILE A 68 0.904 2.781 -15.532 1.00 0.00 N ATOM 959 CA ILE A 68 0.658 4.004 -16.256 1.00 0.00 C ATOM 960 C ILE A 68 -0.821 4.317 -16.167 1.00 0.00 C ATOM 961 O ILE A 68 -1.653 3.567 -16.681 1.00 0.00 O ATOM 962 CB ILE A 68 1.071 3.884 -17.752 1.00 0.00 C ATOM 963 CG1 ILE A 68 2.580 3.619 -17.875 1.00 0.00 C ATOM 964 CG2 ILE A 68 0.679 5.146 -18.516 1.00 0.00 C ATOM 965 CD1 ILE A 68 3.037 3.298 -19.289 1.00 0.00 C ATOM 0 H ILE A 68 0.879 1.934 -16.100 1.00 0.00 H new ATOM 0 HA ILE A 68 1.257 4.800 -15.813 1.00 0.00 H new ATOM 0 HB ILE A 68 0.540 3.039 -18.191 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.123 4.494 -17.518 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.848 2.790 -17.220 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.975 5.046 -19.560 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.400 5.287 -18.456 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.182 6.008 -18.078 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.113 3.124 -19.293 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.523 2.404 -19.643 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.803 4.136 -19.946 1.00 0.00 H new ATOM 977 N THR A 69 -1.153 5.402 -15.510 1.00 0.00 N ATOM 978 CA THR A 69 -2.533 5.760 -15.337 1.00 0.00 C ATOM 979 C THR A 69 -2.976 6.734 -16.417 1.00 0.00 C ATOM 980 O THR A 69 -2.420 7.826 -16.572 1.00 0.00 O ATOM 981 CB THR A 69 -2.821 6.323 -13.914 1.00 0.00 C ATOM 982 OG1 THR A 69 -4.204 6.664 -13.787 1.00 0.00 O ATOM 983 CG2 THR A 69 -1.961 7.541 -13.605 1.00 0.00 C ATOM 0 H THR A 69 -0.486 6.048 -15.089 1.00 0.00 H new ATOM 0 HA THR A 69 -3.120 4.847 -15.438 1.00 0.00 H new ATOM 0 HB THR A 69 -2.570 5.542 -13.196 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.373 7.015 -12.888 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.191 7.904 -12.604 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.908 7.266 -13.658 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.168 8.326 -14.332 1.00 0.00 H new ATOM 991 N ASN A 70 -3.950 6.311 -17.177 1.00 0.00 N ATOM 992 CA ASN A 70 -4.474 7.091 -18.265 1.00 0.00 C ATOM 993 C ASN A 70 -5.927 6.717 -18.488 1.00 0.00 C ATOM 994 O ASN A 70 -6.813 7.526 -18.157 1.00 0.00 O ATOM 995 CB ASN A 70 -3.653 6.834 -19.532 1.00 0.00 C ATOM 996 CG ASN A 70 -4.017 7.752 -20.684 1.00 0.00 C ATOM 997 OD1 ASN A 70 -4.373 8.985 -20.375 1.00 0.00 O flip ATOM 998 ND2 ASN A 70 -3.947 7.355 -21.851 1.00 0.00 N flip ATOM 0 H ASN A 70 -4.406 5.407 -17.057 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.410 8.152 -18.024 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.595 6.956 -19.301 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.794 5.799 -19.844 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.668 6.394 -22.047 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.169 7.988 -22.619 1.00 0.00 H new TER 1005 ASN A 70