USER MOD reduce.3.24.130724 H: found=0, std=0, add=285, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 282 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 169:sc= -0.0302 (180deg=-0.157) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 19 THR OG1 : rot -48:sc= 0.974 USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.144 (180deg=-0.545) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.02 K(o=-1,f=-3.2) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.117 2.201 -12.423 1.00 0.00 N ATOM 2 CA GLY A 1 6.063 3.525 -13.015 1.00 0.00 C ATOM 3 C GLY A 1 4.767 4.246 -12.702 1.00 0.00 C ATOM 4 O GLY A 1 4.354 5.143 -13.438 1.00 0.00 O ATOM 0 H1 GLY A 1 6.928 1.679 -12.813 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.223 2.286 -11.392 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.239 1.688 -12.640 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.902 4.117 -12.650 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.177 3.442 -14.096 1.00 0.00 H new ATOM 8 N SER A 2 4.122 3.854 -11.608 1.00 0.00 N ATOM 9 CA SER A 2 2.862 4.466 -11.203 1.00 0.00 C ATOM 10 C SER A 2 3.109 5.700 -10.341 1.00 0.00 C ATOM 11 O SER A 2 4.202 5.889 -9.808 1.00 0.00 O ATOM 12 CB SER A 2 2.004 3.458 -10.436 1.00 0.00 C ATOM 13 OG SER A 2 2.303 2.130 -10.830 1.00 0.00 O ATOM 0 H SER A 2 4.451 3.115 -10.986 1.00 0.00 H new ATOM 0 HA SER A 2 2.331 4.774 -12.104 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.175 3.570 -9.365 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.949 3.665 -10.614 1.00 0.00 H new ATOM 0 HG SER A 2 1.743 1.505 -10.324 1.00 0.00 H new ATOM 19 N MET A 3 2.086 6.538 -10.210 1.00 0.00 N ATOM 20 CA MET A 3 2.191 7.754 -9.411 1.00 0.00 C ATOM 21 C MET A 3 1.363 7.640 -8.136 1.00 0.00 C ATOM 22 O MET A 3 0.136 7.547 -8.187 1.00 0.00 O ATOM 23 CB MET A 3 1.732 8.965 -10.225 1.00 0.00 C ATOM 24 CG MET A 3 0.376 8.775 -10.885 1.00 0.00 C ATOM 25 SD MET A 3 0.480 8.724 -12.685 1.00 0.00 S ATOM 26 CE MET A 3 -0.555 7.307 -13.044 1.00 0.00 C ATOM 0 H MET A 3 1.175 6.398 -10.647 1.00 0.00 H new ATOM 0 HA MET A 3 3.236 7.887 -9.133 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.690 9.837 -9.572 1.00 0.00 H new ATOM 0 HB3 MET A 3 2.475 9.178 -10.994 1.00 0.00 H new ATOM 0 HG2 MET A 3 -0.073 7.849 -10.525 1.00 0.00 H new ATOM 0 HG3 MET A 3 -0.286 9.588 -10.586 1.00 0.00 H new ATOM 0 HE1 MET A 3 -0.591 7.146 -14.121 1.00 0.00 H new ATOM 0 HE2 MET A 3 -0.142 6.423 -12.558 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.563 7.489 -12.671 1.00 0.00 H new ATOM 36 N ILE A 4 2.041 7.648 -6.993 1.00 0.00 N ATOM 37 CA ILE A 4 1.367 7.546 -5.705 1.00 0.00 C ATOM 38 C ILE A 4 1.809 8.662 -4.764 1.00 0.00 C ATOM 39 O ILE A 4 2.979 9.045 -4.742 1.00 0.00 O ATOM 40 CB ILE A 4 1.637 6.187 -5.033 1.00 0.00 C ATOM 41 CG1 ILE A 4 0.841 6.069 -3.732 1.00 0.00 C ATOM 42 CG2 ILE A 4 3.125 6.013 -4.768 1.00 0.00 C ATOM 43 CD1 ILE A 4 -0.657 6.101 -3.934 1.00 0.00 C ATOM 0 H ILE A 4 3.056 7.724 -6.933 1.00 0.00 H new ATOM 0 HA ILE A 4 0.299 7.639 -5.900 1.00 0.00 H new ATOM 0 HB ILE A 4 1.313 5.395 -5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.112 5.139 -3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.127 6.883 -3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.299 5.048 -4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.670 6.057 -5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.473 6.809 -4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.156 6.013 -2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.941 7.042 -4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.956 5.271 -4.574 1.00 0.00 H new ATOM 55 N THR A 5 0.865 9.179 -3.984 1.00 0.00 N ATOM 56 CA THR A 5 1.156 10.251 -3.039 1.00 0.00 C ATOM 57 C THR A 5 1.711 11.477 -3.754 1.00 0.00 C ATOM 58 O THR A 5 2.887 11.820 -3.626 1.00 0.00 O ATOM 59 CB THR A 5 2.163 9.795 -1.967 1.00 0.00 C ATOM 60 OG1 THR A 5 1.799 8.503 -1.469 1.00 0.00 O ATOM 61 CG2 THR A 5 2.216 10.790 -0.817 1.00 0.00 C ATOM 0 H THR A 5 -0.108 8.873 -3.988 1.00 0.00 H new ATOM 0 HA THR A 5 0.215 10.512 -2.555 1.00 0.00 H new ATOM 0 HB THR A 5 3.150 9.741 -2.427 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.446 8.220 -0.789 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.934 10.447 -0.072 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.522 11.766 -1.194 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.230 10.871 -0.360 1.00 0.00 H new ATOM 69 N PRO A 6 0.848 12.156 -4.523 1.00 0.00 N ATOM 70 CA PRO A 6 1.230 13.357 -5.272 1.00 0.00 C ATOM 71 C PRO A 6 1.504 14.547 -4.359 1.00 0.00 C ATOM 72 O PRO A 6 1.028 14.594 -3.225 1.00 0.00 O ATOM 73 CB PRO A 6 0.008 13.629 -6.154 1.00 0.00 C ATOM 74 CG PRO A 6 -1.132 13.009 -5.423 1.00 0.00 C ATOM 75 CD PRO A 6 -0.568 11.805 -4.721 1.00 0.00 C ATOM 0 HA PRO A 6 2.153 13.211 -5.833 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.148 14.698 -6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.129 13.190 -7.144 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.565 13.710 -4.709 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.927 12.723 -6.111 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.072 11.620 -3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.678 10.902 -5.322 1.00 0.00 H new ATOM 83 N SER A 7 2.273 15.508 -4.861 1.00 0.00 N ATOM 84 CA SER A 7 2.613 16.697 -4.089 1.00 0.00 C ATOM 85 C SER A 7 2.052 17.953 -4.751 1.00 0.00 C ATOM 86 O SER A 7 2.687 19.008 -4.743 1.00 0.00 O ATOM 87 CB SER A 7 4.131 16.819 -3.941 1.00 0.00 C ATOM 88 OG SER A 7 4.612 15.971 -2.914 1.00 0.00 O ATOM 0 H SER A 7 2.672 15.486 -5.799 1.00 0.00 H new ATOM 0 HA SER A 7 2.166 16.598 -3.100 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.613 16.563 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.396 17.852 -3.718 1.00 0.00 H new ATOM 0 HG SER A 7 5.585 16.066 -2.840 1.00 0.00 H new ATOM 94 N CYS A 8 0.859 17.830 -5.322 1.00 0.00 N ATOM 95 CA CYS A 8 0.211 18.953 -5.989 1.00 0.00 C ATOM 96 C CYS A 8 -1.303 18.766 -6.024 1.00 0.00 C ATOM 97 O CYS A 8 -1.820 17.735 -5.594 1.00 0.00 O ATOM 98 CB CYS A 8 0.750 19.107 -7.413 1.00 0.00 C ATOM 99 SG CYS A 8 1.773 20.594 -7.664 1.00 0.00 S ATOM 0 H CYS A 8 0.321 16.964 -5.336 1.00 0.00 H new ATOM 0 HA CYS A 8 0.434 19.857 -5.423 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.341 18.226 -7.664 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.090 19.136 -8.107 1.00 0.00 H new ATOM 104 N GLN A 9 -2.006 19.769 -6.539 1.00 0.00 N ATOM 105 CA GLN A 9 -3.460 19.714 -6.629 1.00 0.00 C ATOM 106 C GLN A 9 -3.954 20.414 -7.891 1.00 0.00 C ATOM 107 O GLN A 9 -3.160 20.925 -8.682 1.00 0.00 O ATOM 108 CB GLN A 9 -4.093 20.358 -5.394 1.00 0.00 C ATOM 109 CG GLN A 9 -3.575 21.758 -5.104 1.00 0.00 C ATOM 110 CD GLN A 9 -4.345 22.447 -3.995 1.00 0.00 C ATOM 111 OE1 GLN A 9 -3.763 22.903 -3.011 1.00 0.00 O ATOM 112 NE2 GLN A 9 -5.662 22.526 -4.148 1.00 0.00 N ATOM 0 H GLN A 9 -1.593 20.629 -6.900 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.757 18.666 -6.677 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.174 20.401 -5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.906 19.724 -4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.522 21.702 -4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.636 22.359 -6.011 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.103 22.134 -4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.232 22.978 -3.433 1.00 0.00 H new ATOM 121 N LYS A 10 -5.270 20.433 -8.075 1.00 0.00 N ATOM 122 CA LYS A 10 -5.871 21.070 -9.241 1.00 0.00 C ATOM 123 C LYS A 10 -5.457 20.357 -10.524 1.00 0.00 C ATOM 124 O LYS A 10 -4.780 19.331 -10.485 1.00 0.00 O ATOM 125 CB LYS A 10 -5.464 22.543 -9.308 1.00 0.00 C ATOM 126 CG LYS A 10 -6.624 23.482 -9.593 1.00 0.00 C ATOM 127 CD LYS A 10 -6.360 24.876 -9.048 1.00 0.00 C ATOM 128 CE LYS A 10 -5.427 25.662 -9.957 1.00 0.00 C ATOM 129 NZ LYS A 10 -5.584 27.131 -9.775 1.00 0.00 N ATOM 0 H LYS A 10 -5.941 20.014 -7.431 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.955 21.003 -9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.001 22.827 -8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.708 22.668 -10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.793 23.537 -10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.535 23.082 -9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.304 25.411 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.923 24.802 -8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.395 25.379 -9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.627 25.401 -10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.931 27.631 -10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.562 27.406 -9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.368 27.384 -8.790 1.00 0.00 H new ATOM 143 N GLY A 11 -5.867 20.911 -11.662 1.00 0.00 N ATOM 144 CA GLY A 11 -5.527 20.315 -12.941 1.00 0.00 C ATOM 145 C GLY A 11 -4.031 20.163 -13.131 1.00 0.00 C ATOM 146 O GLY A 11 -3.580 19.358 -13.946 1.00 0.00 O ATOM 0 H GLY A 11 -6.428 21.761 -11.721 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.001 19.337 -13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.931 20.931 -13.744 1.00 0.00 H new ATOM 150 N TYR A 12 -3.259 20.939 -12.378 1.00 0.00 N ATOM 151 CA TYR A 12 -1.804 20.890 -12.470 1.00 0.00 C ATOM 152 C TYR A 12 -1.274 19.542 -11.991 1.00 0.00 C ATOM 153 O TYR A 12 -1.961 18.807 -11.282 1.00 0.00 O ATOM 154 CB TYR A 12 -1.182 22.018 -11.645 1.00 0.00 C ATOM 155 CG TYR A 12 -1.283 23.375 -12.303 1.00 0.00 C ATOM 156 CD1 TYR A 12 -2.520 23.927 -12.615 1.00 0.00 C ATOM 157 CD2 TYR A 12 -0.143 24.107 -12.612 1.00 0.00 C ATOM 158 CE1 TYR A 12 -2.618 25.167 -13.217 1.00 0.00 C ATOM 159 CE2 TYR A 12 -0.232 25.348 -13.212 1.00 0.00 C ATOM 160 CZ TYR A 12 -1.471 25.873 -13.513 1.00 0.00 C ATOM 161 OH TYR A 12 -1.564 27.109 -14.111 1.00 0.00 O ATOM 0 H TYR A 12 -3.616 21.609 -11.697 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.526 21.019 -13.516 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.672 22.058 -10.672 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.132 21.788 -11.464 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.420 23.377 -12.383 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.829 23.699 -12.379 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.587 25.581 -13.454 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.664 25.904 -13.444 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.665 27.473 -14.251 1.00 0.00 H new ATOM 171 N PHE A 13 -0.044 19.224 -12.384 1.00 0.00 N ATOM 172 CA PHE A 13 0.581 17.965 -11.996 1.00 0.00 C ATOM 173 C PHE A 13 2.068 18.159 -11.718 1.00 0.00 C ATOM 174 O PHE A 13 2.706 19.082 -12.228 1.00 0.00 O ATOM 175 CB PHE A 13 0.388 16.917 -13.094 1.00 0.00 C ATOM 176 CG PHE A 13 1.510 16.880 -14.091 1.00 0.00 C ATOM 177 CD1 PHE A 13 1.721 17.941 -14.957 1.00 0.00 C ATOM 178 CD2 PHE A 13 2.355 15.783 -14.164 1.00 0.00 C ATOM 179 CE1 PHE A 13 2.753 17.910 -15.876 1.00 0.00 C ATOM 180 CE2 PHE A 13 3.388 15.747 -15.080 1.00 0.00 C ATOM 181 CZ PHE A 13 3.587 16.811 -15.938 1.00 0.00 C ATOM 0 H PHE A 13 0.539 19.821 -12.971 1.00 0.00 H new ATOM 0 HA PHE A 13 0.101 17.616 -11.081 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.289 15.934 -12.634 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.546 17.119 -13.618 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.071 18.803 -14.913 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.204 14.947 -13.497 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.907 18.744 -16.545 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.040 14.887 -15.125 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.393 16.784 -16.656 1.00 0.00 H new ATOM 191 N PRO A 14 2.636 17.270 -10.890 1.00 0.00 N ATOM 192 CA PRO A 14 4.055 17.322 -10.525 1.00 0.00 C ATOM 193 C PRO A 14 4.967 16.964 -11.693 1.00 0.00 C ATOM 194 O PRO A 14 4.677 16.048 -12.463 1.00 0.00 O ATOM 195 CB PRO A 14 4.173 16.276 -9.414 1.00 0.00 C ATOM 196 CG PRO A 14 3.056 15.324 -9.668 1.00 0.00 C ATOM 197 CD PRO A 14 1.937 16.145 -10.247 1.00 0.00 C ATOM 0 HA PRO A 14 4.362 18.323 -10.222 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.138 15.771 -9.447 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.086 16.734 -8.429 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.362 14.539 -10.359 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.744 14.834 -8.746 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.350 15.573 -10.966 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.249 16.488 -9.474 1.00 0.00 H new ATOM 205 N CYS A 15 6.072 17.691 -11.819 1.00 0.00 N ATOM 206 CA CYS A 15 7.028 17.451 -12.893 1.00 0.00 C ATOM 207 C CYS A 15 7.923 16.258 -12.568 1.00 0.00 C ATOM 208 O CYS A 15 9.004 16.415 -12.001 1.00 0.00 O ATOM 209 CB CYS A 15 7.886 18.696 -13.129 1.00 0.00 C ATOM 210 SG CYS A 15 9.239 18.451 -14.324 1.00 0.00 S ATOM 0 H CYS A 15 6.328 18.452 -11.190 1.00 0.00 H new ATOM 0 HA CYS A 15 6.468 17.227 -13.801 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.245 19.504 -13.482 1.00 0.00 H new ATOM 0 HB3 CYS A 15 8.310 19.018 -12.178 1.00 0.00 H new ATOM 215 N GLY A 16 7.464 15.064 -12.932 1.00 0.00 N ATOM 216 CA GLY A 16 8.235 13.862 -12.671 1.00 0.00 C ATOM 217 C GLY A 16 8.602 13.715 -11.208 1.00 0.00 C ATOM 218 O GLY A 16 7.772 13.323 -10.389 1.00 0.00 O ATOM 0 H GLY A 16 6.573 14.908 -13.403 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.662 12.991 -12.988 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.145 13.880 -13.271 1.00 0.00 H new ATOM 222 N ASN A 17 9.851 14.029 -10.878 1.00 0.00 N ATOM 223 CA ASN A 17 10.327 13.927 -9.503 1.00 0.00 C ATOM 224 C ASN A 17 10.549 15.311 -8.901 1.00 0.00 C ATOM 225 O ASN A 17 10.566 15.473 -7.680 1.00 0.00 O ATOM 226 CB ASN A 17 11.627 13.121 -9.450 1.00 0.00 C ATOM 227 CG ASN A 17 11.396 11.678 -9.046 1.00 0.00 C ATOM 228 OD1 ASN A 17 10.417 11.055 -9.457 1.00 0.00 O ATOM 229 ND2 ASN A 17 12.299 11.140 -8.234 1.00 0.00 N ATOM 0 H ASN A 17 10.551 14.356 -11.544 1.00 0.00 H new ATOM 0 HA ASN A 17 9.565 13.413 -8.918 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.109 13.149 -10.427 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.312 13.588 -8.743 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.196 10.173 -7.926 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.095 11.694 -7.918 1.00 0.00 H new ATOM 236 N LEU A 18 10.717 16.306 -9.764 1.00 0.00 N ATOM 237 CA LEU A 18 10.937 17.677 -9.318 1.00 0.00 C ATOM 238 C LEU A 18 9.760 18.174 -8.484 1.00 0.00 C ATOM 239 O LEU A 18 8.774 17.461 -8.295 1.00 0.00 O ATOM 240 CB LEU A 18 11.148 18.598 -10.521 1.00 0.00 C ATOM 241 CG LEU A 18 12.592 18.759 -10.997 1.00 0.00 C ATOM 242 CD1 LEU A 18 12.629 19.305 -12.416 1.00 0.00 C ATOM 243 CD2 LEU A 18 13.367 19.669 -10.054 1.00 0.00 C ATOM 0 H LEU A 18 10.705 16.189 -10.777 1.00 0.00 H new ATOM 0 HA LEU A 18 11.832 17.691 -8.696 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.553 18.220 -11.352 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.757 19.584 -10.271 1.00 0.00 H new ATOM 0 HG LEU A 18 13.066 17.777 -10.994 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.665 19.413 -12.737 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.111 18.617 -13.084 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.137 20.277 -12.445 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.393 19.772 -10.409 1.00 0.00 H new ATOM 0 HD22 LEU A 18 12.893 20.650 -10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.371 19.237 -9.053 1.00 0.00 H new ATOM 255 N THR A 19 9.869 19.403 -7.988 1.00 0.00 N ATOM 256 CA THR A 19 8.814 19.995 -7.175 1.00 0.00 C ATOM 257 C THR A 19 8.068 21.077 -7.947 1.00 0.00 C ATOM 258 O THR A 19 7.394 21.922 -7.358 1.00 0.00 O ATOM 259 CB THR A 19 9.379 20.603 -5.878 1.00 0.00 C ATOM 260 OG1 THR A 19 8.308 21.056 -5.042 1.00 0.00 O ATOM 261 CG2 THR A 19 10.314 21.763 -6.186 1.00 0.00 C ATOM 0 H THR A 19 10.677 20.007 -8.135 1.00 0.00 H new ATOM 0 HA THR A 19 8.123 19.192 -6.920 1.00 0.00 H new ATOM 0 HB THR A 19 9.944 19.830 -5.357 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.684 21.594 -5.573 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.700 22.176 -5.254 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.144 21.409 -6.798 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.769 22.536 -6.727 1.00 0.00 H new ATOM 269 N LYS A 20 8.191 21.046 -9.270 1.00 0.00 N ATOM 270 CA LYS A 20 7.527 22.023 -10.124 1.00 0.00 C ATOM 271 C LYS A 20 6.202 21.476 -10.648 1.00 0.00 C ATOM 272 O LYS A 20 6.109 20.311 -11.034 1.00 0.00 O ATOM 273 CB LYS A 20 8.432 22.405 -11.297 1.00 0.00 C ATOM 274 CG LYS A 20 7.709 23.149 -12.407 1.00 0.00 C ATOM 275 CD LYS A 20 8.675 23.632 -13.476 1.00 0.00 C ATOM 276 CE LYS A 20 7.964 24.455 -14.538 1.00 0.00 C ATOM 277 NZ LYS A 20 7.159 25.557 -13.940 1.00 0.00 N ATOM 0 H LYS A 20 8.745 20.354 -9.774 1.00 0.00 H new ATOM 0 HA LYS A 20 7.323 22.911 -9.526 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.249 23.025 -10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.880 21.501 -11.709 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.963 22.495 -12.858 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.174 24.001 -11.987 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.460 24.231 -13.015 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.161 22.775 -13.943 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.699 24.874 -15.225 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.313 23.807 -15.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.943 26.265 -14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.271 25.171 -13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.699 26.005 -13.172 1.00 0.00 H new ATOM 291 N CYS A 21 5.180 22.325 -10.659 1.00 0.00 N ATOM 292 CA CYS A 21 3.861 21.928 -11.136 1.00 0.00 C ATOM 293 C CYS A 21 3.528 22.621 -12.454 1.00 0.00 C ATOM 294 O CYS A 21 3.671 23.838 -12.582 1.00 0.00 O ATOM 295 CB CYS A 21 2.796 22.261 -10.089 1.00 0.00 C ATOM 296 SG CYS A 21 1.731 20.853 -9.638 1.00 0.00 S ATOM 0 H CYS A 21 5.240 23.293 -10.343 1.00 0.00 H new ATOM 0 HA CYS A 21 3.872 20.851 -11.304 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.289 22.633 -9.191 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.170 23.070 -10.467 1.00 0.00 H new ATOM 301 N LEU A 22 3.083 21.839 -13.431 1.00 0.00 N ATOM 302 CA LEU A 22 2.729 22.376 -14.740 1.00 0.00 C ATOM 303 C LEU A 22 1.216 22.499 -14.887 1.00 0.00 C ATOM 304 O LEU A 22 0.445 21.788 -14.243 1.00 0.00 O ATOM 305 CB LEU A 22 3.289 21.483 -15.849 1.00 0.00 C ATOM 306 CG LEU A 22 4.780 21.643 -16.151 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.462 20.285 -16.206 1.00 0.00 C ATOM 308 CD2 LEU A 22 4.981 22.397 -17.457 1.00 0.00 C ATOM 0 H LEU A 22 2.959 20.831 -13.341 1.00 0.00 H new ATOM 0 HA LEU A 22 3.167 23.370 -14.827 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.103 20.443 -15.580 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.730 21.680 -16.764 1.00 0.00 H new ATOM 0 HG LEU A 22 5.234 22.222 -15.347 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.522 20.419 -16.422 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.348 19.781 -15.246 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.006 19.680 -16.990 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.048 22.502 -17.656 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.512 21.845 -18.272 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.528 23.385 -17.380 1.00 0.00 H new ATOM 320 N PRO A 23 0.779 23.423 -15.756 1.00 0.00 N ATOM 321 CA PRO A 23 -0.645 23.659 -16.010 1.00 0.00 C ATOM 322 C PRO A 23 -1.301 22.503 -16.758 1.00 0.00 C ATOM 323 O PRO A 23 -0.628 21.557 -17.170 1.00 0.00 O ATOM 324 CB PRO A 23 -0.647 24.923 -16.874 1.00 0.00 C ATOM 325 CG PRO A 23 0.686 24.929 -17.539 1.00 0.00 C ATOM 326 CD PRO A 23 1.641 24.306 -16.559 1.00 0.00 C ATOM 0 HA PRO A 23 -1.212 23.757 -15.084 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.454 24.901 -17.606 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.791 25.817 -16.267 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.660 24.364 -18.471 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.992 25.945 -17.790 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.428 23.747 -17.065 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.131 25.059 -15.942 1.00 0.00 H new ATOM 334 N ARG A 24 -2.616 22.585 -16.931 1.00 0.00 N ATOM 335 CA ARG A 24 -3.362 21.545 -17.629 1.00 0.00 C ATOM 336 C ARG A 24 -3.124 21.623 -19.134 1.00 0.00 C ATOM 337 O ARG A 24 -3.263 20.629 -19.846 1.00 0.00 O ATOM 338 CB ARG A 24 -4.857 21.672 -17.330 1.00 0.00 C ATOM 339 CG ARG A 24 -5.467 22.976 -17.817 1.00 0.00 C ATOM 340 CD ARG A 24 -6.163 22.798 -19.158 1.00 0.00 C ATOM 341 NE ARG A 24 -7.398 22.030 -19.035 1.00 0.00 N ATOM 342 CZ ARG A 24 -8.291 21.913 -20.012 1.00 0.00 C ATOM 343 NH1 ARG A 24 -8.086 22.511 -21.177 1.00 0.00 N ATOM 344 NH2 ARG A 24 -9.392 21.196 -19.825 1.00 0.00 N ATOM 0 H ARG A 24 -3.187 23.361 -16.597 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.009 20.577 -17.273 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.384 20.838 -17.795 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.012 21.587 -16.254 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.182 23.342 -17.080 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.687 23.732 -17.908 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.385 23.776 -19.584 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.490 22.294 -19.852 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.586 21.557 -18.151 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.241 23.063 -21.325 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.773 22.419 -21.925 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.554 20.734 -18.930 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.076 21.107 -20.576 1.00 0.00 H new ATOM 358 N ALA A 25 -2.767 22.811 -19.611 1.00 0.00 N ATOM 359 CA ALA A 25 -2.510 23.019 -21.030 1.00 0.00 C ATOM 360 C ALA A 25 -1.284 22.235 -21.486 1.00 0.00 C ATOM 361 O ALA A 25 -1.047 22.074 -22.683 1.00 0.00 O ATOM 362 CB ALA A 25 -2.330 24.501 -21.323 1.00 0.00 C ATOM 0 H ALA A 25 -2.649 23.644 -19.035 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.372 22.652 -21.587 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.139 24.641 -22.387 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.235 25.040 -21.043 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.487 24.886 -20.749 1.00 0.00 H new ATOM 368 N PHE A 26 -0.506 21.750 -20.524 1.00 0.00 N ATOM 369 CA PHE A 26 0.697 20.984 -20.827 1.00 0.00 C ATOM 370 C PHE A 26 0.376 19.803 -21.737 1.00 0.00 C ATOM 371 O PHE A 26 1.248 19.290 -22.439 1.00 0.00 O ATOM 372 CB PHE A 26 1.348 20.484 -19.535 1.00 0.00 C ATOM 373 CG PHE A 26 0.743 19.213 -19.012 1.00 0.00 C ATOM 374 CD1 PHE A 26 -0.609 19.145 -18.715 1.00 0.00 C ATOM 375 CD2 PHE A 26 1.525 18.086 -18.818 1.00 0.00 C ATOM 376 CE1 PHE A 26 -1.168 17.977 -18.232 1.00 0.00 C ATOM 377 CE2 PHE A 26 0.971 16.915 -18.336 1.00 0.00 C ATOM 378 CZ PHE A 26 -0.378 16.860 -18.044 1.00 0.00 C ATOM 0 H PHE A 26 -0.687 21.874 -19.528 1.00 0.00 H new ATOM 0 HA PHE A 26 1.394 21.641 -21.347 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.412 20.325 -19.712 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.264 21.258 -18.772 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.233 20.014 -18.863 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.580 18.123 -19.046 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.222 17.938 -18.002 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.592 16.044 -18.188 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.814 15.946 -17.670 1.00 0.00 H new ATOM 388 N HIS A 27 -0.883 19.375 -21.720 1.00 0.00 N ATOM 389 CA HIS A 27 -1.321 18.255 -22.544 1.00 0.00 C ATOM 390 C HIS A 27 -1.012 18.509 -24.017 1.00 0.00 C ATOM 391 O HIS A 27 -1.712 19.270 -24.686 1.00 0.00 O ATOM 392 CB HIS A 27 -2.820 18.014 -22.360 1.00 0.00 C ATOM 393 CG HIS A 27 -3.401 17.062 -23.359 1.00 0.00 C ATOM 394 ND1 HIS A 27 -3.241 15.695 -23.278 1.00 0.00 N ATOM 395 CD2 HIS A 27 -4.147 17.287 -24.467 1.00 0.00 C ATOM 396 CE1 HIS A 27 -3.862 15.120 -24.293 1.00 0.00 C ATOM 397 NE2 HIS A 27 -4.420 16.064 -25.029 1.00 0.00 N ATOM 0 H HIS A 27 -1.617 19.787 -21.144 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.776 17.367 -22.225 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.997 17.627 -21.356 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.344 18.967 -22.431 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.467 18.249 -24.839 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.906 14.059 -24.488 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.965 15.910 -25.877 1.00 0.00 H new ATOM 405 N CYS A 28 0.040 17.869 -24.515 1.00 0.00 N ATOM 406 CA CYS A 28 0.443 18.026 -25.907 1.00 0.00 C ATOM 407 C CYS A 28 0.583 19.501 -26.269 1.00 0.00 C ATOM 408 O CYS A 28 -0.366 20.129 -26.739 1.00 0.00 O ATOM 409 CB CYS A 28 -0.574 17.356 -26.833 1.00 0.00 C ATOM 410 SG CYS A 28 -0.361 15.554 -26.993 1.00 0.00 S ATOM 0 H CYS A 28 0.630 17.236 -23.975 1.00 0.00 H new ATOM 0 HA CYS A 28 1.413 17.545 -26.035 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.578 17.561 -26.461 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.502 17.809 -27.822 1.00 0.00 H new ATOM 415 N ASP A 29 1.773 20.049 -26.047 1.00 0.00 N ATOM 416 CA ASP A 29 2.039 21.450 -26.352 1.00 0.00 C ATOM 417 C ASP A 29 2.928 21.580 -27.584 1.00 0.00 C ATOM 418 O ASP A 29 2.724 22.458 -28.421 1.00 0.00 O ATOM 419 CB ASP A 29 2.700 22.137 -25.156 1.00 0.00 C ATOM 420 CG ASP A 29 4.105 21.629 -24.900 1.00 0.00 C ATOM 421 OD1 ASP A 29 4.288 20.395 -24.838 1.00 0.00 O ATOM 422 OD2 ASP A 29 5.022 22.466 -24.763 1.00 0.00 O ATOM 0 H ASP A 29 2.569 19.544 -25.657 1.00 0.00 H new ATOM 0 HA ASP A 29 1.087 21.937 -26.561 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.732 23.212 -25.331 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.091 21.976 -24.266 1.00 0.00 H new ATOM 427 N GLY A 30 3.919 20.698 -27.688 1.00 0.00 N ATOM 428 CA GLY A 30 4.826 20.732 -28.820 1.00 0.00 C ATOM 429 C GLY A 30 6.277 20.592 -28.405 1.00 0.00 C ATOM 430 O GLY A 30 7.113 20.139 -29.187 1.00 0.00 O ATOM 0 H GLY A 30 4.109 19.961 -27.009 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.570 19.929 -29.511 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.694 21.670 -29.359 1.00 0.00 H new ATOM 434 N LYS A 31 6.578 20.982 -27.171 1.00 0.00 N ATOM 435 CA LYS A 31 7.938 20.898 -26.652 1.00 0.00 C ATOM 436 C LYS A 31 7.939 20.430 -25.201 1.00 0.00 C ATOM 437 O LYS A 31 6.882 20.204 -24.611 1.00 0.00 O ATOM 438 CB LYS A 31 8.632 22.258 -26.761 1.00 0.00 C ATOM 439 CG LYS A 31 7.943 23.357 -25.970 1.00 0.00 C ATOM 440 CD LYS A 31 8.894 24.501 -25.662 1.00 0.00 C ATOM 441 CE LYS A 31 9.200 25.322 -26.905 1.00 0.00 C ATOM 442 NZ LYS A 31 9.916 26.585 -26.573 1.00 0.00 N ATOM 0 H LYS A 31 5.898 21.360 -26.511 1.00 0.00 H new ATOM 0 HA LYS A 31 8.484 20.169 -27.250 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.660 22.161 -26.412 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.677 22.551 -27.810 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.090 23.733 -26.535 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.552 22.946 -25.039 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.456 25.144 -24.899 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.821 24.103 -25.250 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.806 24.730 -27.591 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.270 25.557 -27.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.106 27.116 -27.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.327 27.162 -25.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.815 26.361 -26.101 1.00 0.00 H new ATOM 456 N ASP A 32 9.130 20.287 -24.631 1.00 0.00 N ATOM 457 CA ASP A 32 9.267 19.848 -23.247 1.00 0.00 C ATOM 458 C ASP A 32 9.003 21.000 -22.282 1.00 0.00 C ATOM 459 O ASP A 32 9.596 22.072 -22.402 1.00 0.00 O ATOM 460 CB ASP A 32 10.666 19.277 -23.007 1.00 0.00 C ATOM 461 CG ASP A 32 11.750 20.329 -23.133 1.00 0.00 C ATOM 462 OD1 ASP A 32 11.748 21.066 -24.141 1.00 0.00 O ATOM 463 OD2 ASP A 32 12.602 20.416 -22.223 1.00 0.00 O ATOM 0 H ASP A 32 10.014 20.469 -25.106 1.00 0.00 H new ATOM 0 HA ASP A 32 8.528 19.068 -23.065 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.708 18.833 -22.012 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.856 18.476 -23.722 1.00 0.00 H new ATOM 468 N ASP A 33 8.108 20.772 -21.328 1.00 0.00 N ATOM 469 CA ASP A 33 7.764 21.790 -20.342 1.00 0.00 C ATOM 470 C ASP A 33 8.224 21.375 -18.948 1.00 0.00 C ATOM 471 O ASP A 33 8.279 22.195 -18.031 1.00 0.00 O ATOM 472 CB ASP A 33 6.255 22.041 -20.341 1.00 0.00 C ATOM 473 CG ASP A 33 5.673 22.075 -21.740 1.00 0.00 C ATOM 474 OD1 ASP A 33 5.273 21.003 -22.243 1.00 0.00 O ATOM 475 OD2 ASP A 33 5.617 23.172 -22.334 1.00 0.00 O ATOM 0 H ASP A 33 7.607 19.891 -21.216 1.00 0.00 H new ATOM 0 HA ASP A 33 8.278 22.712 -20.615 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.760 21.260 -19.764 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.047 22.987 -19.841 1.00 0.00 H new ATOM 480 N CYS A 34 8.553 20.097 -18.796 1.00 0.00 N ATOM 481 CA CYS A 34 9.008 19.572 -17.514 1.00 0.00 C ATOM 482 C CYS A 34 10.464 19.947 -17.258 1.00 0.00 C ATOM 483 O CYS A 34 10.771 20.683 -16.321 1.00 0.00 O ATOM 484 CB CYS A 34 8.847 18.050 -17.477 1.00 0.00 C ATOM 485 SG CYS A 34 8.761 17.353 -15.797 1.00 0.00 S ATOM 0 H CYS A 34 8.513 19.405 -19.545 1.00 0.00 H new ATOM 0 HA CYS A 34 8.394 20.015 -16.730 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.941 17.778 -18.019 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.684 17.594 -18.006 1.00 0.00 H new ATOM 490 N GLY A 35 11.358 19.435 -18.098 1.00 0.00 N ATOM 491 CA GLY A 35 12.772 19.727 -17.946 1.00 0.00 C ATOM 492 C GLY A 35 13.613 18.472 -17.822 1.00 0.00 C ATOM 493 O GLY A 35 14.818 18.498 -18.068 1.00 0.00 O ATOM 0 H GLY A 35 11.129 18.823 -18.881 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.114 20.307 -18.803 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.919 20.348 -17.062 1.00 0.00 H new ATOM 497 N ASN A 36 12.977 17.371 -17.437 1.00 0.00 N ATOM 498 CA ASN A 36 13.676 16.101 -17.277 1.00 0.00 C ATOM 499 C ASN A 36 13.089 15.038 -18.201 1.00 0.00 C ATOM 500 O ASN A 36 13.800 14.156 -18.681 1.00 0.00 O ATOM 501 CB ASN A 36 13.596 15.629 -15.824 1.00 0.00 C ATOM 502 CG ASN A 36 12.170 15.364 -15.380 1.00 0.00 C ATOM 503 OD1 ASN A 36 11.545 14.394 -15.808 1.00 0.00 O ATOM 504 ND2 ASN A 36 11.649 16.228 -14.516 1.00 0.00 N ATOM 0 H ASN A 36 11.979 17.332 -17.230 1.00 0.00 H new ATOM 0 HA ASN A 36 14.721 16.254 -17.545 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.185 14.719 -15.707 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.042 16.383 -15.175 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.694 16.101 -14.181 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.204 17.018 -14.188 1.00 0.00 H new ATOM 511 N GLY A 37 11.785 15.129 -18.447 1.00 0.00 N ATOM 512 CA GLY A 37 11.125 14.169 -19.313 1.00 0.00 C ATOM 513 C GLY A 37 9.991 13.444 -18.616 1.00 0.00 C ATOM 514 O GLY A 37 9.952 12.214 -18.594 1.00 0.00 O ATOM 0 H GLY A 37 11.174 15.850 -18.062 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.737 14.684 -20.192 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.855 13.441 -19.666 1.00 0.00 H new ATOM 518 N ALA A 38 9.066 14.207 -18.044 1.00 0.00 N ATOM 519 CA ALA A 38 7.925 13.630 -17.343 1.00 0.00 C ATOM 520 C ALA A 38 6.610 14.140 -17.922 1.00 0.00 C ATOM 521 O ALA A 38 5.622 13.407 -17.984 1.00 0.00 O ATOM 522 CB ALA A 38 8.006 13.942 -15.856 1.00 0.00 C ATOM 0 H ALA A 38 9.084 15.227 -18.052 1.00 0.00 H new ATOM 0 HA ALA A 38 7.956 12.549 -17.478 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.148 13.505 -15.345 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.925 13.523 -15.446 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.004 15.022 -15.710 1.00 0.00 H new ATOM 528 N ASP A 39 6.603 15.400 -18.343 1.00 0.00 N ATOM 529 CA ASP A 39 5.408 16.008 -18.917 1.00 0.00 C ATOM 530 C ASP A 39 5.196 15.539 -20.353 1.00 0.00 C ATOM 531 O ASP A 39 4.075 15.552 -20.860 1.00 0.00 O ATOM 532 CB ASP A 39 5.516 17.533 -18.876 1.00 0.00 C ATOM 533 CG ASP A 39 6.416 18.079 -19.967 1.00 0.00 C ATOM 534 OD1 ASP A 39 7.478 17.473 -20.220 1.00 0.00 O ATOM 535 OD2 ASP A 39 6.056 19.112 -20.570 1.00 0.00 O ATOM 0 H ASP A 39 7.411 16.020 -18.298 1.00 0.00 H new ATOM 0 HA ASP A 39 4.550 15.696 -18.322 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.522 17.968 -18.978 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.900 17.841 -17.904 1.00 0.00 H new ATOM 540 N GLU A 40 6.281 15.127 -21.002 1.00 0.00 N ATOM 541 CA GLU A 40 6.213 14.656 -22.380 1.00 0.00 C ATOM 542 C GLU A 40 5.302 13.437 -22.494 1.00 0.00 C ATOM 543 O GLU A 40 4.675 13.213 -23.529 1.00 0.00 O ATOM 544 CB GLU A 40 7.612 14.310 -22.894 1.00 0.00 C ATOM 545 CG GLU A 40 8.497 15.526 -23.112 1.00 0.00 C ATOM 546 CD GLU A 40 7.815 16.606 -23.929 1.00 0.00 C ATOM 547 OE1 GLU A 40 7.016 17.372 -23.352 1.00 0.00 O ATOM 548 OE2 GLU A 40 8.081 16.684 -25.147 1.00 0.00 O ATOM 0 H GLU A 40 7.216 15.110 -20.596 1.00 0.00 H new ATOM 0 HA GLU A 40 5.797 15.458 -22.991 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.096 13.641 -22.183 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.520 13.764 -23.833 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.788 15.937 -22.145 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.413 15.218 -23.616 1.00 0.00 H new ATOM 555 N GLU A 41 5.235 12.653 -21.423 1.00 0.00 N ATOM 556 CA GLU A 41 4.402 11.456 -21.403 1.00 0.00 C ATOM 557 C GLU A 41 2.921 11.824 -21.378 1.00 0.00 C ATOM 558 O GLU A 41 2.562 13.000 -21.432 1.00 0.00 O ATOM 559 CB GLU A 41 4.744 10.589 -20.190 1.00 0.00 C ATOM 560 CG GLU A 41 6.207 10.186 -20.123 1.00 0.00 C ATOM 561 CD GLU A 41 6.593 9.205 -21.214 1.00 0.00 C ATOM 562 OE1 GLU A 41 6.859 9.654 -22.348 1.00 0.00 O ATOM 563 OE2 GLU A 41 6.628 7.989 -20.932 1.00 0.00 O ATOM 0 H GLU A 41 5.747 12.825 -20.558 1.00 0.00 H new ATOM 0 HA GLU A 41 4.603 10.890 -22.313 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.483 11.131 -19.281 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.129 9.690 -20.212 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.829 11.077 -20.204 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.413 9.741 -19.150 1.00 0.00 H new ATOM 570 N ASN A 42 2.067 10.810 -21.297 1.00 0.00 N ATOM 571 CA ASN A 42 0.625 11.026 -21.266 1.00 0.00 C ATOM 572 C ASN A 42 0.142 11.664 -22.564 1.00 0.00 C ATOM 573 O ASN A 42 -0.952 12.227 -22.624 1.00 0.00 O ATOM 574 CB ASN A 42 0.246 11.912 -20.077 1.00 0.00 C ATOM 575 CG ASN A 42 -0.623 11.186 -19.069 1.00 0.00 C ATOM 576 OD1 ASN A 42 -1.799 11.510 -18.899 1.00 0.00 O ATOM 577 ND2 ASN A 42 -0.047 10.198 -18.394 1.00 0.00 N ATOM 0 H ASN A 42 2.348 9.830 -21.252 1.00 0.00 H new ATOM 0 HA ASN A 42 0.140 10.056 -21.157 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.153 12.262 -19.585 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.282 12.795 -20.439 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.582 9.673 -17.702 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.930 9.964 -18.567 1.00 0.00 H new ATOM 584 N CYS A 43 0.965 11.573 -23.604 1.00 0.00 N ATOM 585 CA CYS A 43 0.624 12.142 -24.902 1.00 0.00 C ATOM 586 C CYS A 43 1.349 11.405 -26.025 1.00 0.00 C ATOM 587 O CYS A 43 1.560 11.954 -27.106 1.00 0.00 O ATOM 588 CB CYS A 43 0.979 13.629 -24.941 1.00 0.00 C ATOM 589 SG CYS A 43 -0.453 14.729 -25.180 1.00 0.00 S ATOM 0 H CYS A 43 1.873 11.110 -23.572 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.450 12.029 -25.050 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.478 13.897 -24.010 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.693 13.800 -25.746 1.00 0.00 H new ATOM 594 N GLY A 44 1.727 10.158 -25.761 1.00 0.00 N ATOM 595 CA GLY A 44 2.423 9.367 -26.758 1.00 0.00 C ATOM 596 C GLY A 44 3.703 8.756 -26.223 1.00 0.00 C ATOM 597 O GLY A 44 4.621 9.497 -25.875 1.00 0.00 O ATOM 0 H GLY A 44 1.563 9.682 -24.874 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.765 8.573 -27.112 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.656 9.995 -27.618 1.00 0.00 H new TER 601 GLY A 44 HETATM 602 CA CA A 101 4.176 18.232 -22.754 1.00 0.00 CA