USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 499 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 48 THR OG1 : rot 180:sc= 0.0538 USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= 0.0455 USER MOD Set 2.1: A 38 THR OG1 : rot 130:sc= -0.632 USER MOD Set 2.2: A 53 THR OG1 : rot -140:sc= -1.58! USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 8 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.13) USER MOD Single : A 5 THR OG1 : rot -50:sc= 0.0868 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.604 F(o=-2.8,f=-0.6) USER MOD Single : A 9 SER OG : rot -150:sc= -0.862! USER MOD Single : A 10 GLN : amide:sc= 0.278 K(o=0.28,f=-2.9!) USER MOD Single : A 12 SER OG : rot -66:sc= -1.86! USER MOD Single : A 14 ASN : amide:sc= -0.0988 K(o=-0.099,f=-1.9!) USER MOD Single : A 15 SER OG : rot 121:sc= -4.2! USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.357) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -135:sc= -4.88! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 38:sc= -1.34 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 40 SER OG : rot 180:sc= -0.913 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 120:sc= 0.618 USER MOD Single : A 51 THR OG1 : rot 57:sc= 0.523 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 170:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -2.45! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -10:sc= 1.3 USER MOD Single : A 67 CYS SG : rot -170:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -5.12! C(o=-5.1!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 4 49.334 9.604 6.997 1.00 0.00 N ATOM 34 CA CYS A 4 50.691 10.093 6.621 1.00 0.00 C ATOM 35 C CYS A 4 50.932 9.902 5.119 1.00 0.00 C ATOM 36 O CYS A 4 50.819 10.827 4.341 1.00 0.00 O ATOM 37 CB CYS A 4 51.656 9.236 7.441 1.00 0.00 C ATOM 38 SG CYS A 4 52.684 10.309 8.479 1.00 0.00 S ATOM 0 HA CYS A 4 50.819 11.157 6.822 1.00 0.00 H new ATOM 0 HB2 CYS A 4 51.099 8.536 8.063 1.00 0.00 H new ATOM 0 HB3 CYS A 4 52.285 8.642 6.778 1.00 0.00 H new ATOM 43 N THR A 5 51.259 8.707 4.703 1.00 0.00 N ATOM 44 CA THR A 5 51.503 8.463 3.252 1.00 0.00 C ATOM 45 C THR A 5 51.021 7.062 2.870 1.00 0.00 C ATOM 46 O THR A 5 51.534 6.444 1.957 1.00 0.00 O ATOM 47 CB THR A 5 53.021 8.580 3.072 1.00 0.00 C ATOM 48 OG1 THR A 5 53.318 8.754 1.694 1.00 0.00 O ATOM 49 CG2 THR A 5 53.710 7.313 3.588 1.00 0.00 C ATOM 0 H THR A 5 51.367 7.891 5.305 1.00 0.00 H new ATOM 0 HA THR A 5 50.968 9.170 2.618 1.00 0.00 H new ATOM 0 HB THR A 5 53.385 9.437 3.638 1.00 0.00 H new ATOM 0 HG1 THR A 5 52.859 8.064 1.171 1.00 0.00 H new ATOM 0 HG21 THR A 5 54.788 7.406 3.456 1.00 0.00 H new ATOM 0 HG22 THR A 5 53.484 7.181 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 5 53.349 6.449 3.030 1.00 0.00 H new ATOM 57 N ASN A 6 50.040 6.555 3.564 1.00 0.00 N ATOM 58 CA ASN A 6 49.530 5.193 3.243 1.00 0.00 C ATOM 59 C ASN A 6 48.237 5.289 2.429 1.00 0.00 C ATOM 60 O ASN A 6 47.152 5.126 2.948 1.00 0.00 O ATOM 61 CB ASN A 6 49.262 4.539 4.600 1.00 0.00 C ATOM 62 CG ASN A 6 50.426 4.832 5.548 1.00 0.00 C ATOM 63 OD1 ASN A 6 51.642 4.858 5.077 1.00 0.00 O flip ATOM 64 ND2 ASN A 6 50.226 5.039 6.729 1.00 0.00 N flip ATOM 0 H ASN A 6 49.570 7.024 4.338 1.00 0.00 H new ATOM 0 HA ASN A 6 50.238 4.618 2.646 1.00 0.00 H new ATOM 0 HB2 ASN A 6 48.332 4.920 5.021 1.00 0.00 H new ATOM 0 HB3 ASN A 6 49.140 3.463 4.479 1.00 0.00 H new ATOM 0 HD21 ASN A 6 49.275 5.018 7.096 1.00 0.00 H new ATOM 0 HD22 ASN A 6 51.009 5.233 7.353 1.00 0.00 H new ATOM 71 N THR A 7 48.347 5.544 1.154 1.00 0.00 N ATOM 72 CA THR A 7 47.125 5.639 0.306 1.00 0.00 C ATOM 73 C THR A 7 46.908 4.313 -0.422 1.00 0.00 C ATOM 74 O THR A 7 47.608 3.987 -1.360 1.00 0.00 O ATOM 75 CB THR A 7 47.413 6.764 -0.690 1.00 0.00 C ATOM 76 OG1 THR A 7 46.357 6.837 -1.637 1.00 0.00 O ATOM 77 CG2 THR A 7 48.732 6.486 -1.413 1.00 0.00 C ATOM 0 H THR A 7 49.229 5.691 0.663 1.00 0.00 H new ATOM 0 HA THR A 7 46.225 5.843 0.886 1.00 0.00 H new ATOM 0 HB THR A 7 47.489 7.711 -0.156 1.00 0.00 H new ATOM 0 HG1 THR A 7 46.539 7.558 -2.275 1.00 0.00 H new ATOM 0 HG21 THR A 7 48.935 7.289 -2.122 1.00 0.00 H new ATOM 0 HG22 THR A 7 49.542 6.432 -0.685 1.00 0.00 H new ATOM 0 HG23 THR A 7 48.661 5.539 -1.948 1.00 0.00 H new ATOM 85 N ASN A 8 45.954 3.537 0.016 1.00 0.00 N ATOM 86 CA ASN A 8 45.706 2.222 -0.639 1.00 0.00 C ATOM 87 C ASN A 8 46.958 1.346 -0.527 1.00 0.00 C ATOM 88 O ASN A 8 47.080 0.330 -1.180 1.00 0.00 O ATOM 89 CB ASN A 8 45.404 2.554 -2.101 1.00 0.00 C ATOM 90 CG ASN A 8 44.340 3.651 -2.166 1.00 0.00 C ATOM 91 OD1 ASN A 8 44.487 4.613 -2.893 1.00 0.00 O ATOM 92 ND2 ASN A 8 43.268 3.545 -1.432 1.00 0.00 N ATOM 0 H ASN A 8 45.337 3.757 0.798 1.00 0.00 H new ATOM 0 HA ASN A 8 44.886 1.672 -0.177 1.00 0.00 H new ATOM 0 HB2 ASN A 8 46.312 2.883 -2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 8 45.055 1.663 -2.623 1.00 0.00 H new ATOM 0 HD21 ASN A 8 42.552 4.270 -1.468 1.00 0.00 H new ATOM 0 HD22 ASN A 8 43.146 2.737 -0.822 1.00 0.00 H new ATOM 99 N SER A 9 47.890 1.737 0.304 1.00 0.00 N ATOM 100 CA SER A 9 49.138 0.937 0.468 1.00 0.00 C ATOM 101 C SER A 9 49.389 0.660 1.955 1.00 0.00 C ATOM 102 O SER A 9 48.527 0.869 2.787 1.00 0.00 O ATOM 103 CB SER A 9 50.243 1.816 -0.121 1.00 0.00 C ATOM 104 OG SER A 9 51.479 1.521 0.517 1.00 0.00 O ATOM 0 H SER A 9 47.839 2.579 0.877 1.00 0.00 H new ATOM 0 HA SER A 9 49.087 -0.033 -0.027 1.00 0.00 H new ATOM 0 HB2 SER A 9 50.326 1.643 -1.194 1.00 0.00 H new ATOM 0 HB3 SER A 9 49.995 2.869 0.014 1.00 0.00 H new ATOM 0 HG SER A 9 52.042 2.323 0.526 1.00 0.00 H new ATOM 110 N GLN A 10 50.558 0.190 2.299 1.00 0.00 N ATOM 111 CA GLN A 10 50.853 -0.099 3.733 1.00 0.00 C ATOM 112 C GLN A 10 52.311 0.239 4.061 1.00 0.00 C ATOM 113 O GLN A 10 53.228 -0.376 3.554 1.00 0.00 O ATOM 114 CB GLN A 10 50.605 -1.600 3.888 1.00 0.00 C ATOM 115 CG GLN A 10 49.860 -1.867 5.198 1.00 0.00 C ATOM 116 CD GLN A 10 50.867 -2.153 6.313 1.00 0.00 C ATOM 117 OE1 GLN A 10 51.001 -1.378 7.239 1.00 0.00 O ATOM 118 NE2 GLN A 10 51.586 -3.241 6.265 1.00 0.00 N ATOM 0 H GLN A 10 51.321 -0.006 1.651 1.00 0.00 H new ATOM 0 HA GLN A 10 50.235 0.494 4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 10 50.022 -1.971 3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 10 51.553 -2.138 3.881 1.00 0.00 H new ATOM 0 HG2 GLN A 10 49.246 -1.005 5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 10 49.185 -2.714 5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 10 51.474 -3.892 5.488 1.00 0.00 H new ATOM 0 HE22 GLN A 10 52.260 -3.440 7.005 1.00 0.00 H new ATOM 127 N LEU A 11 52.533 1.203 4.913 1.00 0.00 N ATOM 128 CA LEU A 11 53.934 1.567 5.281 1.00 0.00 C ATOM 129 C LEU A 11 54.209 1.158 6.726 1.00 0.00 C ATOM 130 O LEU A 11 55.104 1.672 7.365 1.00 0.00 O ATOM 131 CB LEU A 11 54.006 3.088 5.154 1.00 0.00 C ATOM 132 CG LEU A 11 55.467 3.540 5.241 1.00 0.00 C ATOM 133 CD1 LEU A 11 56.081 3.566 3.841 1.00 0.00 C ATOM 134 CD2 LEU A 11 55.528 4.942 5.850 1.00 0.00 C ATOM 0 H LEU A 11 51.807 1.754 5.370 1.00 0.00 H new ATOM 0 HA LEU A 11 54.666 1.069 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 11 53.572 3.405 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 11 53.421 3.558 5.945 1.00 0.00 H new ATOM 0 HG LEU A 11 56.025 2.844 5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 11 57.120 3.888 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 11 56.037 2.568 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 11 55.524 4.261 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 11 56.567 5.266 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 11 54.969 5.636 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 11 55.092 4.924 6.849 1.00 0.00 H new ATOM 146 N SER A 12 53.436 0.252 7.255 1.00 0.00 N ATOM 147 CA SER A 12 53.653 -0.163 8.666 1.00 0.00 C ATOM 148 C SER A 12 53.636 1.077 9.563 1.00 0.00 C ATOM 149 O SER A 12 54.611 1.792 9.664 1.00 0.00 O ATOM 150 CB SER A 12 55.030 -0.824 8.679 1.00 0.00 C ATOM 151 OG SER A 12 55.158 -1.617 9.853 1.00 0.00 O ATOM 0 H SER A 12 52.668 -0.216 6.774 1.00 0.00 H new ATOM 0 HA SER A 12 52.883 -0.842 9.033 1.00 0.00 H new ATOM 0 HB2 SER A 12 55.157 -1.444 7.792 1.00 0.00 H new ATOM 0 HB3 SER A 12 55.811 -0.064 8.652 1.00 0.00 H new ATOM 0 HG SER A 12 55.157 -1.036 10.642 1.00 0.00 H new ATOM 157 N ALA A 13 52.530 1.344 10.202 1.00 0.00 N ATOM 158 CA ALA A 13 52.444 2.547 11.082 1.00 0.00 C ATOM 159 C ALA A 13 53.732 2.719 11.892 1.00 0.00 C ATOM 160 O ALA A 13 54.078 3.811 12.298 1.00 0.00 O ATOM 161 CB ALA A 13 51.260 2.275 12.010 1.00 0.00 C ATOM 0 H ALA A 13 51.681 0.781 10.154 1.00 0.00 H new ATOM 0 HA ALA A 13 52.313 3.464 10.507 1.00 0.00 H new ATOM 0 HB1 ALA A 13 51.130 3.116 12.691 1.00 0.00 H new ATOM 0 HB2 ALA A 13 50.355 2.145 11.417 1.00 0.00 H new ATOM 0 HB3 ALA A 13 51.449 1.369 12.585 1.00 0.00 H new ATOM 167 N ASN A 14 54.441 1.652 12.138 1.00 0.00 N ATOM 168 CA ASN A 14 55.700 1.761 12.929 1.00 0.00 C ATOM 169 C ASN A 14 56.858 2.236 12.046 1.00 0.00 C ATOM 170 O ASN A 14 57.986 2.324 12.490 1.00 0.00 O ATOM 171 CB ASN A 14 55.968 0.346 13.440 1.00 0.00 C ATOM 172 CG ASN A 14 55.301 0.160 14.803 1.00 0.00 C ATOM 173 OD1 ASN A 14 54.546 1.002 15.244 1.00 0.00 O ATOM 174 ND2 ASN A 14 55.550 -0.918 15.493 1.00 0.00 N ATOM 0 H ASN A 14 54.204 0.710 11.826 1.00 0.00 H new ATOM 0 HA ASN A 14 55.609 2.484 13.740 1.00 0.00 H new ATOM 0 HB2 ASN A 14 55.582 -0.387 12.732 1.00 0.00 H new ATOM 0 HB3 ASN A 14 57.041 0.175 13.522 1.00 0.00 H new ATOM 0 HD21 ASN A 14 55.110 -1.054 16.403 1.00 0.00 H new ATOM 0 HD22 ASN A 14 56.184 -1.626 15.122 1.00 0.00 H new ATOM 181 N SER A 15 56.602 2.543 10.801 1.00 0.00 N ATOM 182 CA SER A 15 57.710 3.006 9.919 1.00 0.00 C ATOM 183 C SER A 15 57.669 4.530 9.773 1.00 0.00 C ATOM 184 O SER A 15 57.092 5.223 10.587 1.00 0.00 O ATOM 185 CB SER A 15 57.471 2.317 8.575 1.00 0.00 C ATOM 186 OG SER A 15 57.035 3.279 7.627 1.00 0.00 O ATOM 0 H SER A 15 55.683 2.494 10.362 1.00 0.00 H new ATOM 0 HA SER A 15 58.691 2.758 10.324 1.00 0.00 H new ATOM 0 HB2 SER A 15 58.388 1.839 8.230 1.00 0.00 H new ATOM 0 HB3 SER A 15 56.723 1.531 8.684 1.00 0.00 H new ATOM 0 HG SER A 15 57.660 3.301 6.872 1.00 0.00 H new ATOM 192 N LYS A 16 58.282 5.061 8.749 1.00 0.00 N ATOM 193 CA LYS A 16 58.275 6.542 8.575 1.00 0.00 C ATOM 194 C LYS A 16 57.535 6.926 7.293 1.00 0.00 C ATOM 195 O LYS A 16 57.740 6.347 6.246 1.00 0.00 O ATOM 196 CB LYS A 16 59.748 6.938 8.487 1.00 0.00 C ATOM 197 CG LYS A 16 60.288 7.205 9.894 1.00 0.00 C ATOM 198 CD LYS A 16 60.996 8.561 9.921 1.00 0.00 C ATOM 199 CE LYS A 16 60.754 9.236 11.272 1.00 0.00 C ATOM 200 NZ LYS A 16 61.402 8.341 12.270 1.00 0.00 N ATOM 0 H LYS A 16 58.783 4.538 8.031 1.00 0.00 H new ATOM 0 HA LYS A 16 57.765 7.050 9.394 1.00 0.00 H new ATOM 0 HB2 LYS A 16 60.322 6.143 8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 16 59.860 7.828 7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 16 59.472 7.195 10.616 1.00 0.00 H new ATOM 0 HG3 LYS A 16 60.981 6.415 10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 16 62.065 8.428 9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 16 60.624 9.193 9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 16 61.188 10.236 11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 16 59.688 9.346 11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 61.582 8.871 13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 60.775 7.537 12.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 62.303 7.989 11.887 1.00 0.00 H new ATOM 214 N CYS A 17 56.672 7.902 7.373 1.00 0.00 N ATOM 215 CA CYS A 17 55.912 8.330 6.165 1.00 0.00 C ATOM 216 C CYS A 17 56.552 9.577 5.553 1.00 0.00 C ATOM 217 O CYS A 17 56.077 10.682 5.728 1.00 0.00 O ATOM 218 CB CYS A 17 54.509 8.645 6.676 1.00 0.00 C ATOM 219 SG CYS A 17 54.600 9.956 7.920 1.00 0.00 S ATOM 0 H CYS A 17 56.460 8.422 8.225 1.00 0.00 H new ATOM 0 HA CYS A 17 55.902 7.565 5.389 1.00 0.00 H new ATOM 0 HB2 CYS A 17 53.871 8.957 5.849 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.058 7.751 7.107 1.00 0.00 H new ATOM 224 N GLU A 18 57.627 9.410 4.839 1.00 0.00 N ATOM 225 CA GLU A 18 58.300 10.585 4.219 1.00 0.00 C ATOM 226 C GLU A 18 57.938 10.682 2.734 1.00 0.00 C ATOM 227 O GLU A 18 58.795 10.810 1.883 1.00 0.00 O ATOM 228 CB GLU A 18 59.790 10.310 4.390 1.00 0.00 C ATOM 229 CG GLU A 18 60.160 10.399 5.872 1.00 0.00 C ATOM 230 CD GLU A 18 60.216 11.866 6.300 1.00 0.00 C ATOM 231 OE1 GLU A 18 59.608 12.684 5.627 1.00 0.00 O ATOM 232 OE2 GLU A 18 60.868 12.149 7.292 1.00 0.00 O ATOM 0 H GLU A 18 58.071 8.510 4.657 1.00 0.00 H new ATOM 0 HA GLU A 18 58.000 11.527 4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 18 60.035 9.321 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 18 60.372 11.031 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 18 59.426 9.862 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 18 61.125 9.922 6.046 1.00 0.00 H new ATOM 319 N ASN A 24 50.783 0.591 -3.693 1.00 0.00 N ATOM 320 CA ASN A 24 51.381 -0.753 -3.945 1.00 0.00 C ATOM 321 C ASN A 24 52.646 -0.942 -3.100 1.00 0.00 C ATOM 322 O ASN A 24 53.693 -1.292 -3.607 1.00 0.00 O ATOM 323 CB ASN A 24 51.729 -0.761 -5.434 1.00 0.00 C ATOM 324 CG ASN A 24 50.830 -1.764 -6.160 1.00 0.00 C ATOM 325 OD1 ASN A 24 51.250 -2.861 -6.467 1.00 0.00 O ATOM 326 ND2 ASN A 24 49.600 -1.433 -6.445 1.00 0.00 N ATOM 0 HA ASN A 24 50.699 -1.561 -3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 24 51.596 0.235 -5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 24 52.777 -1.028 -5.573 1.00 0.00 H new ATOM 0 HD21 ASN A 24 48.992 -2.096 -6.926 1.00 0.00 H new ATOM 0 HD22 ASN A 24 49.247 -0.511 -6.187 1.00 0.00 H new ATOM 333 N CYS A 25 52.559 -0.717 -1.816 1.00 0.00 N ATOM 334 CA CYS A 25 53.761 -0.889 -0.946 1.00 0.00 C ATOM 335 C CYS A 25 53.358 -1.454 0.415 1.00 0.00 C ATOM 336 O CYS A 25 52.768 -0.778 1.233 1.00 0.00 O ATOM 337 CB CYS A 25 54.353 0.512 -0.782 1.00 0.00 C ATOM 338 SG CYS A 25 54.396 1.355 -2.384 1.00 0.00 S ATOM 0 H CYS A 25 51.711 -0.422 -1.332 1.00 0.00 H new ATOM 0 HA CYS A 25 54.478 -1.584 -1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 25 53.756 1.088 -0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.360 0.445 -0.370 1.00 0.00 H new ATOM 343 N TYR A 26 53.691 -2.686 0.665 1.00 0.00 N ATOM 344 CA TYR A 26 53.352 -3.305 1.977 1.00 0.00 C ATOM 345 C TYR A 26 54.612 -3.357 2.839 1.00 0.00 C ATOM 346 O TYR A 26 55.424 -4.248 2.709 1.00 0.00 O ATOM 347 CB TYR A 26 52.866 -4.716 1.638 1.00 0.00 C ATOM 348 CG TYR A 26 51.445 -4.653 1.129 1.00 0.00 C ATOM 349 CD1 TYR A 26 50.388 -4.469 2.028 1.00 0.00 C ATOM 350 CD2 TYR A 26 51.186 -4.779 -0.242 1.00 0.00 C ATOM 351 CE1 TYR A 26 49.071 -4.410 1.556 1.00 0.00 C ATOM 352 CE2 TYR A 26 49.870 -4.720 -0.713 1.00 0.00 C ATOM 353 CZ TYR A 26 48.812 -4.535 0.186 1.00 0.00 C ATOM 354 OH TYR A 26 47.513 -4.478 -0.278 1.00 0.00 O ATOM 0 H TYR A 26 54.186 -3.296 0.015 1.00 0.00 H new ATOM 0 HA TYR A 26 52.596 -2.749 2.531 1.00 0.00 H new ATOM 0 HB2 TYR A 26 53.514 -5.163 0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 26 52.919 -5.352 2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 26 50.588 -4.373 3.085 1.00 0.00 H new ATOM 0 HD2 TYR A 26 52.002 -4.922 -0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 26 48.255 -4.268 2.249 1.00 0.00 H new ATOM 0 HE2 TYR A 26 49.670 -4.817 -1.770 1.00 0.00 H new ATOM 0 HH TYR A 26 47.509 -4.581 -1.253 1.00 0.00 H new ATOM 364 N VAL A 27 54.800 -2.397 3.699 1.00 0.00 N ATOM 365 CA VAL A 27 56.033 -2.387 4.540 1.00 0.00 C ATOM 366 C VAL A 27 55.735 -2.848 5.971 1.00 0.00 C ATOM 367 O VAL A 27 54.597 -2.949 6.383 1.00 0.00 O ATOM 368 CB VAL A 27 56.484 -0.925 4.544 1.00 0.00 C ATOM 369 CG1 VAL A 27 57.923 -0.831 5.058 1.00 0.00 C ATOM 370 CG2 VAL A 27 56.410 -0.356 3.124 1.00 0.00 C ATOM 0 H VAL A 27 54.158 -1.621 3.857 1.00 0.00 H new ATOM 0 HA VAL A 27 56.792 -3.065 4.150 1.00 0.00 H new ATOM 0 HB VAL A 27 55.828 -0.350 5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 27 58.241 0.211 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.974 -1.228 6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 27 58.580 -1.410 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 27 56.732 0.685 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 27 57.061 -0.932 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.384 -0.416 2.761 1.00 0.00 H new ATOM 380 N ASP A 28 56.765 -3.117 6.733 1.00 0.00 N ATOM 381 CA ASP A 28 56.572 -3.560 8.144 1.00 0.00 C ATOM 382 C ASP A 28 57.753 -3.084 9.001 1.00 0.00 C ATOM 383 O ASP A 28 58.879 -3.494 8.801 1.00 0.00 O ATOM 384 CB ASP A 28 56.536 -5.088 8.082 1.00 0.00 C ATOM 385 CG ASP A 28 55.630 -5.623 9.192 1.00 0.00 C ATOM 386 OD1 ASP A 28 54.612 -5.001 9.451 1.00 0.00 O ATOM 387 OD2 ASP A 28 55.968 -6.646 9.766 1.00 0.00 O ATOM 0 H ASP A 28 57.738 -3.048 6.434 1.00 0.00 H new ATOM 0 HA ASP A 28 55.664 -3.153 8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 28 56.168 -5.414 7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 28 57.543 -5.491 8.194 1.00 0.00 H new ATOM 392 N LYS A 29 57.509 -2.216 9.947 1.00 0.00 N ATOM 393 CA LYS A 29 58.624 -1.711 10.802 1.00 0.00 C ATOM 394 C LYS A 29 59.802 -1.284 9.922 1.00 0.00 C ATOM 395 O LYS A 29 60.848 -1.903 9.923 1.00 0.00 O ATOM 396 CB LYS A 29 59.016 -2.895 11.689 1.00 0.00 C ATOM 397 CG LYS A 29 60.058 -2.441 12.714 1.00 0.00 C ATOM 398 CD LYS A 29 59.521 -2.674 14.128 1.00 0.00 C ATOM 399 CE LYS A 29 60.680 -3.024 15.065 1.00 0.00 C ATOM 400 NZ LYS A 29 60.526 -4.481 15.340 1.00 0.00 N ATOM 0 H LYS A 29 56.588 -1.835 10.165 1.00 0.00 H new ATOM 0 HA LYS A 29 58.334 -0.843 11.394 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.136 -3.288 12.198 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.419 -3.703 11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 29 60.988 -2.992 12.572 1.00 0.00 H new ATOM 0 HG3 LYS A 29 60.288 -1.385 12.571 1.00 0.00 H new ATOM 0 HD2 LYS A 29 59.008 -1.781 14.485 1.00 0.00 H new ATOM 0 HD3 LYS A 29 58.789 -3.481 14.122 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.642 -2.809 14.600 1.00 0.00 H new ATOM 0 HE3 LYS A 29 60.634 -2.441 15.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 61.285 -4.796 15.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 59.604 -4.654 15.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 60.581 -5.011 14.447 1.00 0.00 H new ATOM 414 N SER A 30 59.635 -0.236 9.160 1.00 0.00 N ATOM 415 CA SER A 30 60.741 0.225 8.267 1.00 0.00 C ATOM 416 C SER A 30 60.940 1.737 8.379 1.00 0.00 C ATOM 417 O SER A 30 60.324 2.402 9.182 1.00 0.00 O ATOM 418 CB SER A 30 60.273 -0.126 6.857 1.00 0.00 C ATOM 419 OG SER A 30 59.644 -1.402 6.875 1.00 0.00 O ATOM 0 H SER A 30 58.782 0.321 9.116 1.00 0.00 H new ATOM 0 HA SER A 30 61.691 -0.242 8.529 1.00 0.00 H new ATOM 0 HB2 SER A 30 59.577 0.630 6.493 1.00 0.00 H new ATOM 0 HB3 SER A 30 61.121 -0.135 6.172 1.00 0.00 H new ATOM 0 HG SER A 30 59.962 -1.934 6.116 1.00 0.00 H new ATOM 425 N GLU A 31 61.785 2.282 7.551 1.00 0.00 N ATOM 426 CA GLU A 31 62.018 3.753 7.570 1.00 0.00 C ATOM 427 C GLU A 31 62.137 4.246 6.130 1.00 0.00 C ATOM 428 O GLU A 31 63.152 4.076 5.485 1.00 0.00 O ATOM 429 CB GLU A 31 63.331 3.953 8.327 1.00 0.00 C ATOM 430 CG GLU A 31 63.636 5.448 8.437 1.00 0.00 C ATOM 431 CD GLU A 31 64.841 5.657 9.355 1.00 0.00 C ATOM 432 OE1 GLU A 31 64.693 5.451 10.549 1.00 0.00 O ATOM 433 OE2 GLU A 31 65.890 6.019 8.850 1.00 0.00 O ATOM 0 H GLU A 31 62.328 1.769 6.857 1.00 0.00 H new ATOM 0 HA GLU A 31 61.209 4.306 8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 31 63.260 3.512 9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 31 64.143 3.443 7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 31 63.842 5.862 7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 31 62.769 5.979 8.831 1.00 0.00 H new ATOM 440 N VAL A 32 61.093 4.827 5.614 1.00 0.00 N ATOM 441 CA VAL A 32 61.123 5.300 4.204 1.00 0.00 C ATOM 442 C VAL A 32 61.366 6.812 4.135 1.00 0.00 C ATOM 443 O VAL A 32 60.801 7.580 4.887 1.00 0.00 O ATOM 444 CB VAL A 32 59.737 4.940 3.669 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.550 5.529 2.271 1.00 0.00 C ATOM 446 CG2 VAL A 32 59.602 3.414 3.609 1.00 0.00 C ATOM 0 H VAL A 32 60.217 4.995 6.109 1.00 0.00 H new ATOM 0 HA VAL A 32 61.928 4.847 3.625 1.00 0.00 H new ATOM 0 HB VAL A 32 58.974 5.350 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.560 5.269 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.647 6.614 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.310 5.125 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.615 3.151 3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 32 60.367 3.007 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 32 59.728 2.998 4.609 1.00 0.00 H new ATOM 456 N TYR A 33 62.207 7.236 3.230 1.00 0.00 N ATOM 457 CA TYR A 33 62.498 8.694 3.091 1.00 0.00 C ATOM 458 C TYR A 33 62.541 9.079 1.612 1.00 0.00 C ATOM 459 O TYR A 33 63.312 8.536 0.849 1.00 0.00 O ATOM 460 CB TYR A 33 63.873 8.895 3.727 1.00 0.00 C ATOM 461 CG TYR A 33 63.951 10.279 4.323 1.00 0.00 C ATOM 462 CD1 TYR A 33 63.428 11.372 3.620 1.00 0.00 C ATOM 463 CD2 TYR A 33 64.545 10.472 5.576 1.00 0.00 C ATOM 464 CE1 TYR A 33 63.499 12.657 4.171 1.00 0.00 C ATOM 465 CE2 TYR A 33 64.616 11.757 6.127 1.00 0.00 C ATOM 466 CZ TYR A 33 64.093 12.849 5.424 1.00 0.00 C ATOM 467 OH TYR A 33 64.163 14.115 5.967 1.00 0.00 O ATOM 0 H TYR A 33 62.708 6.633 2.578 1.00 0.00 H new ATOM 0 HA TYR A 33 61.736 9.311 3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 33 64.042 8.144 4.499 1.00 0.00 H new ATOM 0 HB3 TYR A 33 64.655 8.765 2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 33 62.970 11.223 2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 33 64.949 9.629 6.118 1.00 0.00 H new ATOM 0 HE1 TYR A 33 63.096 13.500 3.630 1.00 0.00 H new ATOM 0 HE2 TYR A 33 65.074 11.906 7.094 1.00 0.00 H new ATOM 0 HH TYR A 33 64.604 14.072 6.841 1.00 0.00 H new ATOM 477 N GLY A 34 61.722 10.013 1.205 1.00 0.00 N ATOM 478 CA GLY A 34 61.717 10.439 -0.226 1.00 0.00 C ATOM 479 C GLY A 34 61.876 9.217 -1.135 1.00 0.00 C ATOM 480 O GLY A 34 62.671 9.214 -2.053 1.00 0.00 O ATOM 0 H GLY A 34 61.055 10.500 1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.786 10.956 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.527 11.145 -0.407 1.00 0.00 H new ATOM 484 N THR A 35 61.127 8.177 -0.885 1.00 0.00 N ATOM 485 CA THR A 35 61.241 6.956 -1.735 1.00 0.00 C ATOM 486 C THR A 35 60.067 6.874 -2.712 1.00 0.00 C ATOM 487 O THR A 35 59.089 7.584 -2.587 1.00 0.00 O ATOM 488 CB THR A 35 61.201 5.786 -0.752 1.00 0.00 C ATOM 489 OG1 THR A 35 62.411 5.755 -0.007 1.00 0.00 O ATOM 490 CG2 THR A 35 61.040 4.474 -1.522 1.00 0.00 C ATOM 0 H THR A 35 60.443 8.120 -0.131 1.00 0.00 H new ATOM 0 HA THR A 35 62.151 6.957 -2.335 1.00 0.00 H new ATOM 0 HB THR A 35 60.358 5.911 -0.073 1.00 0.00 H new ATOM 0 HG1 THR A 35 62.697 6.671 0.190 1.00 0.00 H new ATOM 0 HG21 THR A 35 61.012 3.641 -0.820 1.00 0.00 H new ATOM 0 HG22 THR A 35 60.112 4.499 -2.093 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.882 4.346 -2.203 1.00 0.00 H new ATOM 498 N THR A 36 60.162 6.015 -3.687 1.00 0.00 N ATOM 499 CA THR A 36 59.059 5.883 -4.682 1.00 0.00 C ATOM 500 C THR A 36 58.772 4.405 -4.955 1.00 0.00 C ATOM 501 O THR A 36 59.360 3.801 -5.829 1.00 0.00 O ATOM 502 CB THR A 36 59.583 6.571 -5.946 1.00 0.00 C ATOM 503 OG1 THR A 36 58.802 6.165 -7.062 1.00 0.00 O ATOM 504 CG2 THR A 36 61.048 6.182 -6.177 1.00 0.00 C ATOM 0 H THR A 36 60.958 5.396 -3.839 1.00 0.00 H new ATOM 0 HA THR A 36 58.128 6.329 -4.332 1.00 0.00 H new ATOM 0 HB THR A 36 59.513 7.652 -5.825 1.00 0.00 H new ATOM 0 HG1 THR A 36 59.135 6.605 -7.872 1.00 0.00 H new ATOM 0 HG21 THR A 36 61.417 6.673 -7.077 1.00 0.00 H new ATOM 0 HG22 THR A 36 61.647 6.494 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 36 61.123 5.101 -6.297 1.00 0.00 H new ATOM 512 N CYS A 37 57.874 3.814 -4.213 1.00 0.00 N ATOM 513 CA CYS A 37 57.559 2.374 -4.435 1.00 0.00 C ATOM 514 C CYS A 37 56.310 2.225 -5.309 1.00 0.00 C ATOM 515 O CYS A 37 55.194 2.268 -4.831 1.00 0.00 O ATOM 516 CB CYS A 37 57.320 1.793 -3.037 1.00 0.00 C ATOM 517 SG CYS A 37 55.941 2.651 -2.235 1.00 0.00 S ATOM 0 H CYS A 37 57.347 4.265 -3.465 1.00 0.00 H new ATOM 0 HA CYS A 37 58.364 1.855 -4.955 1.00 0.00 H new ATOM 0 HB2 CYS A 37 57.103 0.727 -3.110 1.00 0.00 H new ATOM 0 HB3 CYS A 37 58.222 1.894 -2.433 1.00 0.00 H new ATOM 522 N THR A 38 56.489 2.041 -6.587 1.00 0.00 N ATOM 523 CA THR A 38 55.311 1.878 -7.486 1.00 0.00 C ATOM 524 C THR A 38 54.770 0.451 -7.370 1.00 0.00 C ATOM 525 O THR A 38 53.596 0.200 -7.557 1.00 0.00 O ATOM 526 CB THR A 38 55.844 2.138 -8.895 1.00 0.00 C ATOM 527 OG1 THR A 38 56.857 1.188 -9.198 1.00 0.00 O ATOM 528 CG2 THR A 38 56.428 3.550 -8.968 1.00 0.00 C ATOM 0 H THR A 38 57.398 1.996 -7.048 1.00 0.00 H new ATOM 0 HA THR A 38 54.496 2.556 -7.234 1.00 0.00 H new ATOM 0 HB THR A 38 55.031 2.046 -9.615 1.00 0.00 H new ATOM 0 HG1 THR A 38 56.671 0.778 -10.068 1.00 0.00 H new ATOM 0 HG21 THR A 38 56.808 3.735 -9.973 1.00 0.00 H new ATOM 0 HG22 THR A 38 55.651 4.278 -8.734 1.00 0.00 H new ATOM 0 HG23 THR A 38 57.242 3.645 -8.249 1.00 0.00 H new ATOM 536 N GLY A 39 55.625 -0.485 -7.058 1.00 0.00 N ATOM 537 CA GLY A 39 55.176 -1.899 -6.921 1.00 0.00 C ATOM 538 C GLY A 39 56.254 -2.699 -6.190 1.00 0.00 C ATOM 539 O GLY A 39 56.904 -3.552 -6.762 1.00 0.00 O ATOM 0 H GLY A 39 56.619 -0.330 -6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 39 54.237 -1.943 -6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 39 54.989 -2.331 -7.904 1.00 0.00 H new ATOM 543 N SER A 40 56.453 -2.427 -4.929 1.00 0.00 N ATOM 544 CA SER A 40 57.492 -3.168 -4.159 1.00 0.00 C ATOM 545 C SER A 40 56.948 -3.575 -2.789 1.00 0.00 C ATOM 546 O SER A 40 55.850 -3.213 -2.414 1.00 0.00 O ATOM 547 CB SER A 40 58.646 -2.178 -4.002 1.00 0.00 C ATOM 548 OG SER A 40 58.284 -1.182 -3.054 1.00 0.00 O ATOM 0 H SER A 40 55.940 -1.723 -4.398 1.00 0.00 H new ATOM 0 HA SER A 40 57.803 -4.084 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 40 59.545 -2.699 -3.674 1.00 0.00 H new ATOM 0 HB3 SER A 40 58.877 -1.716 -4.962 1.00 0.00 H new ATOM 0 HG SER A 40 59.022 -0.546 -2.949 1.00 0.00 H new ATOM 554 N ARG A 41 57.707 -4.323 -2.037 1.00 0.00 N ATOM 555 CA ARG A 41 57.235 -4.750 -0.689 1.00 0.00 C ATOM 556 C ARG A 41 58.366 -4.604 0.329 1.00 0.00 C ATOM 557 O ARG A 41 59.439 -5.151 0.162 1.00 0.00 O ATOM 558 CB ARG A 41 56.842 -6.219 -0.850 1.00 0.00 C ATOM 559 CG ARG A 41 56.025 -6.668 0.364 1.00 0.00 C ATOM 560 CD ARG A 41 56.891 -6.592 1.624 1.00 0.00 C ATOM 561 NE ARG A 41 56.320 -7.611 2.547 1.00 0.00 N ATOM 562 CZ ARG A 41 55.391 -7.274 3.400 1.00 0.00 C ATOM 563 NH1 ARG A 41 55.539 -6.208 4.136 1.00 0.00 N ATOM 564 NH2 ARG A 41 54.316 -8.004 3.516 1.00 0.00 N ATOM 0 H ARG A 41 58.635 -4.658 -2.298 1.00 0.00 H new ATOM 0 HA ARG A 41 56.401 -4.146 -0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 41 56.260 -6.352 -1.762 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.735 -6.836 -0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 41 55.145 -6.035 0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 41 55.668 -7.687 0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 41 57.936 -6.806 1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 41 56.858 -5.596 2.066 1.00 0.00 H new ATOM 0 HE ARG A 41 56.655 -8.574 2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 41 56.380 -5.638 4.045 1.00 0.00 H new ATOM 0 HH12 ARG A 41 54.814 -5.944 4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 41 54.201 -8.838 2.940 1.00 0.00 H new ATOM 0 HH22 ARG A 41 53.590 -7.741 4.183 1.00 0.00 H new ATOM 578 N PHE A 42 58.139 -3.866 1.380 1.00 0.00 N ATOM 579 CA PHE A 42 59.213 -3.684 2.401 1.00 0.00 C ATOM 580 C PHE A 42 58.963 -4.584 3.618 1.00 0.00 C ATOM 581 O PHE A 42 57.909 -5.162 3.777 1.00 0.00 O ATOM 582 CB PHE A 42 59.129 -2.217 2.815 1.00 0.00 C ATOM 583 CG PHE A 42 59.856 -1.344 1.817 1.00 0.00 C ATOM 584 CD1 PHE A 42 59.766 -1.608 0.444 1.00 0.00 C ATOM 585 CD2 PHE A 42 60.613 -0.259 2.272 1.00 0.00 C ATOM 586 CE1 PHE A 42 60.437 -0.787 -0.472 1.00 0.00 C ATOM 587 CE2 PHE A 42 61.282 0.562 1.356 1.00 0.00 C ATOM 588 CZ PHE A 42 61.194 0.297 -0.016 1.00 0.00 C ATOM 0 H PHE A 42 57.262 -3.383 1.577 1.00 0.00 H new ATOM 0 HA PHE A 42 60.193 -3.948 2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 42 58.085 -1.911 2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.564 -2.087 3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 42 59.180 -2.444 0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 42 60.681 -0.055 3.330 1.00 0.00 H new ATOM 0 HE1 PHE A 42 60.370 -0.991 -1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 42 61.866 1.400 1.708 1.00 0.00 H new ATOM 0 HZ PHE A 42 61.711 0.930 -0.722 1.00 0.00 H new ATOM 598 N ASP A 43 59.935 -4.693 4.479 1.00 0.00 N ATOM 599 CA ASP A 43 59.782 -5.540 5.697 1.00 0.00 C ATOM 600 C ASP A 43 61.009 -5.349 6.586 1.00 0.00 C ATOM 601 O ASP A 43 62.100 -5.765 6.245 1.00 0.00 O ATOM 602 CB ASP A 43 59.705 -6.977 5.181 1.00 0.00 C ATOM 603 CG ASP A 43 58.740 -7.784 6.052 1.00 0.00 C ATOM 604 OD1 ASP A 43 57.723 -7.233 6.441 1.00 0.00 O ATOM 605 OD2 ASP A 43 59.034 -8.938 6.316 1.00 0.00 O ATOM 0 H ASP A 43 60.838 -4.227 4.391 1.00 0.00 H new ATOM 0 HA ASP A 43 58.901 -5.286 6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 43 59.368 -6.984 4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 43 60.695 -7.434 5.198 1.00 0.00 H new ATOM 610 N GLY A 44 60.860 -4.701 7.709 1.00 0.00 N ATOM 611 CA GLY A 44 62.046 -4.473 8.576 1.00 0.00 C ATOM 612 C GLY A 44 63.158 -3.908 7.698 1.00 0.00 C ATOM 613 O GLY A 44 64.131 -4.573 7.402 1.00 0.00 O ATOM 0 H GLY A 44 59.979 -4.324 8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 44 61.804 -3.779 9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 44 62.363 -5.405 9.043 1.00 0.00 H new ATOM 617 N VAL A 45 63.003 -2.695 7.244 1.00 0.00 N ATOM 618 CA VAL A 45 64.032 -2.097 6.350 1.00 0.00 C ATOM 619 C VAL A 45 64.175 -0.596 6.609 1.00 0.00 C ATOM 620 O VAL A 45 63.203 0.133 6.651 1.00 0.00 O ATOM 621 CB VAL A 45 63.484 -2.355 4.941 1.00 0.00 C ATOM 622 CG1 VAL A 45 64.050 -1.337 3.943 1.00 0.00 C ATOM 623 CG2 VAL A 45 63.869 -3.766 4.501 1.00 0.00 C ATOM 0 H VAL A 45 62.207 -2.092 7.454 1.00 0.00 H new ATOM 0 HA VAL A 45 65.023 -2.524 6.504 1.00 0.00 H new ATOM 0 HB VAL A 45 62.399 -2.253 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 45 63.648 -1.539 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 45 63.768 -0.330 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 45 65.137 -1.418 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 45 63.481 -3.953 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 45 64.955 -3.861 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 45 63.446 -4.492 5.196 1.00 0.00 H new ATOM 633 N THR A 46 65.382 -0.127 6.754 1.00 0.00 N ATOM 634 CA THR A 46 65.588 1.328 6.976 1.00 0.00 C ATOM 635 C THR A 46 66.210 1.948 5.725 1.00 0.00 C ATOM 636 O THR A 46 67.408 1.898 5.523 1.00 0.00 O ATOM 637 CB THR A 46 66.546 1.432 8.162 1.00 0.00 C ATOM 638 OG1 THR A 46 65.842 1.151 9.364 1.00 0.00 O ATOM 639 CG2 THR A 46 67.121 2.848 8.221 1.00 0.00 C ATOM 0 H THR A 46 66.233 -0.689 6.728 1.00 0.00 H new ATOM 0 HA THR A 46 64.655 1.855 7.176 1.00 0.00 H new ATOM 0 HB THR A 46 67.358 0.714 8.044 1.00 0.00 H new ATOM 0 HG1 THR A 46 66.456 1.216 10.125 1.00 0.00 H new ATOM 0 HG21 THR A 46 67.805 2.928 9.066 1.00 0.00 H new ATOM 0 HG22 THR A 46 67.658 3.061 7.297 1.00 0.00 H new ATOM 0 HG23 THR A 46 66.309 3.565 8.343 1.00 0.00 H new ATOM 647 N ILE A 47 65.405 2.517 4.876 1.00 0.00 N ATOM 648 CA ILE A 47 65.944 3.126 3.628 1.00 0.00 C ATOM 649 C ILE A 47 65.740 4.643 3.646 1.00 0.00 C ATOM 650 O ILE A 47 65.139 5.186 4.552 1.00 0.00 O ATOM 651 CB ILE A 47 65.122 2.485 2.514 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.652 2.853 2.709 1.00 0.00 C ATOM 653 CG2 ILE A 47 65.277 0.964 2.574 1.00 0.00 C ATOM 654 CD1 ILE A 47 63.099 3.444 1.412 1.00 0.00 C ATOM 0 H ILE A 47 64.394 2.588 4.991 1.00 0.00 H new ATOM 0 HA ILE A 47 67.014 2.958 3.504 1.00 0.00 H new ATOM 0 HB ILE A 47 65.470 2.845 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.079 1.970 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 47 63.551 3.573 3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 47 64.689 0.507 1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 47 66.327 0.700 2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 47 64.925 0.600 3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 47 62.050 3.707 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 47 63.665 4.337 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.187 2.710 0.611 1.00 0.00 H new ATOM 666 N THR A 48 66.232 5.333 2.653 1.00 0.00 N ATOM 667 CA THR A 48 66.058 6.814 2.624 1.00 0.00 C ATOM 668 C THR A 48 65.662 7.280 1.216 1.00 0.00 C ATOM 669 O THR A 48 64.991 6.578 0.485 1.00 0.00 O ATOM 670 CB THR A 48 67.422 7.385 3.033 1.00 0.00 C ATOM 671 OG1 THR A 48 67.245 8.699 3.544 1.00 0.00 O ATOM 672 CG2 THR A 48 68.360 7.430 1.825 1.00 0.00 C ATOM 0 H THR A 48 66.744 4.938 1.864 1.00 0.00 H new ATOM 0 HA THR A 48 65.266 7.150 3.293 1.00 0.00 H new ATOM 0 HB THR A 48 67.862 6.746 3.798 1.00 0.00 H new ATOM 0 HG1 THR A 48 68.114 9.067 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 48 69.325 7.837 2.128 1.00 0.00 H new ATOM 0 HG22 THR A 48 68.498 6.422 1.434 1.00 0.00 H new ATOM 0 HG23 THR A 48 67.926 8.063 1.051 1.00 0.00 H new ATOM 680 N THR A 49 66.075 8.458 0.834 1.00 0.00 N ATOM 681 CA THR A 49 65.727 8.970 -0.525 1.00 0.00 C ATOM 682 C THR A 49 66.287 8.035 -1.598 1.00 0.00 C ATOM 683 O THR A 49 67.320 8.293 -2.182 1.00 0.00 O ATOM 684 CB THR A 49 66.386 10.347 -0.613 1.00 0.00 C ATOM 685 OG1 THR A 49 66.216 11.032 0.620 1.00 0.00 O ATOM 686 CG2 THR A 49 65.738 11.152 -1.740 1.00 0.00 C ATOM 0 H THR A 49 66.639 9.089 1.404 1.00 0.00 H new ATOM 0 HA THR A 49 64.650 9.026 -0.683 1.00 0.00 H new ATOM 0 HB THR A 49 67.450 10.229 -0.819 1.00 0.00 H new ATOM 0 HG1 THR A 49 66.640 11.914 0.565 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.208 12.134 -1.803 1.00 0.00 H new ATOM 0 HG22 THR A 49 65.870 10.626 -2.685 1.00 0.00 H new ATOM 0 HG23 THR A 49 64.674 11.271 -1.536 1.00 0.00 H new ATOM 694 N SER A 50 65.612 6.950 -1.863 1.00 0.00 N ATOM 695 CA SER A 50 66.108 6.002 -2.898 1.00 0.00 C ATOM 696 C SER A 50 64.948 5.477 -3.743 1.00 0.00 C ATOM 697 O SER A 50 63.864 5.236 -3.249 1.00 0.00 O ATOM 698 CB SER A 50 66.758 4.863 -2.114 1.00 0.00 C ATOM 699 OG SER A 50 67.432 5.396 -0.981 1.00 0.00 O ATOM 0 H SER A 50 64.740 6.680 -1.408 1.00 0.00 H new ATOM 0 HA SER A 50 66.808 6.477 -3.586 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.001 4.146 -1.797 1.00 0.00 H new ATOM 0 HB3 SER A 50 67.461 4.324 -2.749 1.00 0.00 H new ATOM 0 HG SER A 50 67.051 5.013 -0.163 1.00 0.00 H new ATOM 705 N THR A 51 65.170 5.292 -5.014 1.00 0.00 N ATOM 706 CA THR A 51 64.086 4.776 -5.895 1.00 0.00 C ATOM 707 C THR A 51 64.154 3.251 -5.963 1.00 0.00 C ATOM 708 O THR A 51 64.201 2.666 -7.026 1.00 0.00 O ATOM 709 CB THR A 51 64.369 5.387 -7.268 1.00 0.00 C ATOM 710 OG1 THR A 51 65.767 5.353 -7.520 1.00 0.00 O ATOM 711 CG2 THR A 51 63.877 6.836 -7.295 1.00 0.00 C ATOM 0 H THR A 51 66.057 5.476 -5.482 1.00 0.00 H new ATOM 0 HA THR A 51 63.092 5.037 -5.531 1.00 0.00 H new ATOM 0 HB THR A 51 63.848 4.815 -8.036 1.00 0.00 H new ATOM 0 HG1 THR A 51 66.089 4.430 -7.456 1.00 0.00 H new ATOM 0 HG21 THR A 51 64.079 7.271 -8.274 1.00 0.00 H new ATOM 0 HG22 THR A 51 62.805 6.860 -7.102 1.00 0.00 H new ATOM 0 HG23 THR A 51 64.397 7.411 -6.528 1.00 0.00 H new ATOM 719 N SER A 52 64.162 2.600 -4.831 1.00 0.00 N ATOM 720 CA SER A 52 64.232 1.112 -4.828 1.00 0.00 C ATOM 721 C SER A 52 62.825 0.519 -4.731 1.00 0.00 C ATOM 722 O SER A 52 62.087 0.791 -3.805 1.00 0.00 O ATOM 723 CB SER A 52 65.049 0.756 -3.587 1.00 0.00 C ATOM 724 OG SER A 52 64.808 -0.602 -3.241 1.00 0.00 O ATOM 0 H SER A 52 64.123 3.035 -3.909 1.00 0.00 H new ATOM 0 HA SER A 52 64.682 0.718 -5.739 1.00 0.00 H new ATOM 0 HB2 SER A 52 66.111 0.912 -3.779 1.00 0.00 H new ATOM 0 HB3 SER A 52 64.776 1.409 -2.758 1.00 0.00 H new ATOM 0 HG SER A 52 65.332 -0.835 -2.446 1.00 0.00 H new ATOM 730 N THR A 53 62.449 -0.290 -5.682 1.00 0.00 N ATOM 731 CA THR A 53 61.090 -0.902 -5.647 1.00 0.00 C ATOM 732 C THR A 53 60.958 -1.953 -6.753 1.00 0.00 C ATOM 733 O THR A 53 61.371 -1.745 -7.877 1.00 0.00 O ATOM 734 CB THR A 53 60.100 0.251 -5.873 1.00 0.00 C ATOM 735 OG1 THR A 53 58.919 -0.258 -6.476 1.00 0.00 O ATOM 736 CG2 THR A 53 60.715 1.318 -6.785 1.00 0.00 C ATOM 0 H THR A 53 63.024 -0.554 -6.482 1.00 0.00 H new ATOM 0 HA THR A 53 60.898 -1.406 -4.700 1.00 0.00 H new ATOM 0 HB THR A 53 59.864 0.706 -4.911 1.00 0.00 H new ATOM 0 HG1 THR A 53 58.602 0.371 -7.157 1.00 0.00 H new ATOM 0 HG21 THR A 53 59.999 2.126 -6.933 1.00 0.00 H new ATOM 0 HG22 THR A 53 61.619 1.714 -6.323 1.00 0.00 H new ATOM 0 HG23 THR A 53 60.965 0.873 -7.748 1.00 0.00 H new ATOM 744 N GLY A 54 60.394 -3.086 -6.437 1.00 0.00 N ATOM 745 CA GLY A 54 60.240 -4.160 -7.458 1.00 0.00 C ATOM 746 C GLY A 54 60.417 -5.519 -6.778 1.00 0.00 C ATOM 747 O GLY A 54 59.866 -6.516 -7.202 1.00 0.00 O ATOM 0 H GLY A 54 60.032 -3.315 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 54 59.257 -4.098 -7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 54 60.978 -4.036 -8.250 1.00 0.00 H new ATOM 751 N SER A 55 61.183 -5.562 -5.722 1.00 0.00 N ATOM 752 CA SER A 55 61.401 -6.848 -5.003 1.00 0.00 C ATOM 753 C SER A 55 61.164 -6.654 -3.503 1.00 0.00 C ATOM 754 O SER A 55 60.872 -5.566 -3.048 1.00 0.00 O ATOM 755 CB SER A 55 62.861 -7.207 -5.271 1.00 0.00 C ATOM 756 OG SER A 55 63.579 -6.027 -5.609 1.00 0.00 O ATOM 0 H SER A 55 61.669 -4.758 -5.325 1.00 0.00 H new ATOM 0 HA SER A 55 60.721 -7.632 -5.337 1.00 0.00 H new ATOM 0 HB2 SER A 55 63.300 -7.674 -4.390 1.00 0.00 H new ATOM 0 HB3 SER A 55 62.927 -7.932 -6.082 1.00 0.00 H new ATOM 0 HG SER A 55 64.539 -6.221 -5.624 1.00 0.00 H new ATOM 762 N ARG A 56 61.287 -7.699 -2.729 1.00 0.00 N ATOM 763 CA ARG A 56 61.067 -7.565 -1.259 1.00 0.00 C ATOM 764 C ARG A 56 62.401 -7.326 -0.546 1.00 0.00 C ATOM 765 O ARG A 56 63.404 -7.934 -0.867 1.00 0.00 O ATOM 766 CB ARG A 56 60.452 -8.898 -0.825 1.00 0.00 C ATOM 767 CG ARG A 56 61.501 -10.008 -0.921 1.00 0.00 C ATOM 768 CD ARG A 56 60.956 -11.283 -0.273 1.00 0.00 C ATOM 769 NE ARG A 56 62.012 -11.704 0.691 1.00 0.00 N ATOM 770 CZ ARG A 56 61.845 -12.777 1.415 1.00 0.00 C ATOM 771 NH1 ARG A 56 62.044 -13.955 0.892 1.00 0.00 N ATOM 772 NH2 ARG A 56 61.480 -12.669 2.663 1.00 0.00 N ATOM 0 H ARG A 56 61.529 -8.637 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 56 60.421 -6.722 -1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 56 60.082 -8.822 0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 56 59.597 -9.137 -1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 56 61.752 -10.197 -1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 56 62.420 -9.699 -0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 56 60.010 -11.095 0.235 1.00 0.00 H new ATOM 0 HD3 ARG A 56 60.770 -12.057 -1.018 1.00 0.00 H new ATOM 0 HE ARG A 56 62.865 -11.153 0.785 1.00 0.00 H new ATOM 0 HH11 ARG A 56 62.330 -14.038 -0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 56 61.913 -14.793 1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 56 61.326 -11.747 3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 56 61.349 -13.506 3.230 1.00 0.00 H new ATOM 786 N ILE A 57 62.425 -6.443 0.416 1.00 0.00 N ATOM 787 CA ILE A 57 63.700 -6.171 1.142 1.00 0.00 C ATOM 788 C ILE A 57 63.582 -6.573 2.611 1.00 0.00 C ATOM 789 O ILE A 57 62.505 -6.605 3.175 1.00 0.00 O ATOM 790 CB ILE A 57 63.922 -4.667 1.032 1.00 0.00 C ATOM 791 CG1 ILE A 57 64.156 -4.297 -0.444 1.00 0.00 C ATOM 792 CG2 ILE A 57 65.142 -4.286 1.884 1.00 0.00 C ATOM 793 CD1 ILE A 57 65.220 -3.202 -0.561 1.00 0.00 C ATOM 0 H ILE A 57 61.621 -5.900 0.730 1.00 0.00 H new ATOM 0 HA ILE A 57 64.527 -6.740 0.718 1.00 0.00 H new ATOM 0 HB ILE A 57 63.049 -4.124 1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 57 64.471 -5.180 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 57 63.223 -3.955 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 57 65.313 -3.212 1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 57 64.959 -4.558 2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 57 66.021 -4.817 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.372 -2.953 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 57 64.889 -2.314 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 57 66.157 -3.558 -0.133 1.00 0.00 H new ATOM 805 N SER A 58 64.686 -6.860 3.238 1.00 0.00 N ATOM 806 CA SER A 58 64.648 -7.241 4.680 1.00 0.00 C ATOM 807 C SER A 58 65.916 -6.761 5.392 1.00 0.00 C ATOM 808 O SER A 58 66.989 -6.751 4.823 1.00 0.00 O ATOM 809 CB SER A 58 64.564 -8.768 4.699 1.00 0.00 C ATOM 810 OG SER A 58 63.800 -9.213 3.587 1.00 0.00 O ATOM 0 H SER A 58 65.615 -6.848 2.816 1.00 0.00 H new ATOM 0 HA SER A 58 63.803 -6.786 5.197 1.00 0.00 H new ATOM 0 HB2 SER A 58 65.565 -9.199 4.662 1.00 0.00 H new ATOM 0 HB3 SER A 58 64.105 -9.106 5.628 1.00 0.00 H new ATOM 0 HG SER A 58 63.747 -10.191 3.597 1.00 0.00 H new ATOM 816 N GLY A 59 65.808 -6.369 6.634 1.00 0.00 N ATOM 817 CA GLY A 59 67.019 -5.902 7.365 1.00 0.00 C ATOM 818 C GLY A 59 66.613 -5.213 8.669 1.00 0.00 C ATOM 819 O GLY A 59 66.037 -4.143 8.649 1.00 0.00 O ATOM 0 H GLY A 59 64.940 -6.352 7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 59 67.672 -6.748 7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 59 67.586 -5.211 6.741 1.00 0.00 H new ATOM 823 N PRO A 60 66.951 -5.834 9.768 1.00 0.00 N ATOM 824 CA PRO A 60 66.639 -5.246 11.092 1.00 0.00 C ATOM 825 C PRO A 60 67.523 -4.017 11.314 1.00 0.00 C ATOM 826 O PRO A 60 67.364 -3.278 12.264 1.00 0.00 O ATOM 827 CB PRO A 60 66.980 -6.364 12.074 1.00 0.00 C ATOM 828 CG PRO A 60 67.980 -7.211 11.353 1.00 0.00 C ATOM 829 CD PRO A 60 67.651 -7.118 9.886 1.00 0.00 C ATOM 0 HA PRO A 60 65.607 -4.913 11.199 1.00 0.00 H new ATOM 0 HB2 PRO A 60 67.394 -5.965 13.000 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.094 -6.939 12.342 1.00 0.00 H new ATOM 0 HG2 PRO A 60 68.994 -6.860 11.545 1.00 0.00 H new ATOM 0 HG3 PRO A 60 67.930 -8.245 11.696 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.551 -7.142 9.271 1.00 0.00 H new ATOM 0 HD3 PRO A 60 67.023 -7.948 9.563 1.00 0.00 H new ATOM 837 N GLY A 61 68.450 -3.797 10.420 1.00 0.00 N ATOM 838 CA GLY A 61 69.356 -2.626 10.527 1.00 0.00 C ATOM 839 C GLY A 61 69.927 -2.341 9.138 1.00 0.00 C ATOM 840 O GLY A 61 71.050 -1.903 8.990 1.00 0.00 O ATOM 0 H GLY A 61 68.617 -4.392 9.608 1.00 0.00 H new ATOM 0 HA2 GLY A 61 68.814 -1.758 10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 61 70.160 -2.829 11.235 1.00 0.00 H new ATOM 844 N CYS A 62 69.155 -2.602 8.114 1.00 0.00 N ATOM 845 CA CYS A 62 69.642 -2.366 6.727 1.00 0.00 C ATOM 846 C CYS A 62 69.706 -0.862 6.440 1.00 0.00 C ATOM 847 O CYS A 62 69.008 -0.069 7.040 1.00 0.00 O ATOM 848 CB CYS A 62 68.591 -3.054 5.843 1.00 0.00 C ATOM 849 SG CYS A 62 68.551 -2.303 4.194 1.00 0.00 S ATOM 0 H CYS A 62 68.206 -2.969 8.182 1.00 0.00 H new ATOM 0 HA CYS A 62 70.645 -2.754 6.552 1.00 0.00 H new ATOM 0 HB2 CYS A 62 68.819 -4.117 5.759 1.00 0.00 H new ATOM 0 HB3 CYS A 62 67.609 -2.974 6.308 1.00 0.00 H new ATOM 854 N LYS A 63 70.535 -0.473 5.514 1.00 0.00 N ATOM 855 CA LYS A 63 70.648 0.970 5.164 1.00 0.00 C ATOM 856 C LYS A 63 70.823 1.114 3.653 1.00 0.00 C ATOM 857 O LYS A 63 71.876 0.840 3.112 1.00 0.00 O ATOM 858 CB LYS A 63 71.894 1.467 5.902 1.00 0.00 C ATOM 859 CG LYS A 63 71.547 2.727 6.699 1.00 0.00 C ATOM 860 CD LYS A 63 71.444 2.380 8.185 1.00 0.00 C ATOM 861 CE LYS A 63 72.108 3.480 9.017 1.00 0.00 C ATOM 862 NZ LYS A 63 72.355 2.858 10.347 1.00 0.00 N ATOM 0 H LYS A 63 71.143 -1.095 4.981 1.00 0.00 H new ATOM 0 HA LYS A 63 69.763 1.541 5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 63 72.267 0.692 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 63 72.690 1.682 5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.311 3.489 6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 63 70.604 3.145 6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 63 70.398 2.274 8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 63 71.926 1.422 8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 63 73.038 3.815 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 63 71.463 4.354 9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 72.809 3.551 10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 71.451 2.555 10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 72.978 2.033 10.234 1.00 0.00 H new ATOM 876 N ILE A 64 69.798 1.531 2.964 1.00 0.00 N ATOM 877 CA ILE A 64 69.911 1.679 1.486 1.00 0.00 C ATOM 878 C ILE A 64 70.095 3.155 1.122 1.00 0.00 C ATOM 879 O ILE A 64 69.702 4.038 1.857 1.00 0.00 O ATOM 880 CB ILE A 64 68.589 1.116 0.935 1.00 0.00 C ATOM 881 CG1 ILE A 64 68.843 0.453 -0.419 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.552 2.231 0.762 1.00 0.00 C ATOM 883 CD1 ILE A 64 67.503 0.082 -1.056 1.00 0.00 C ATOM 0 H ILE A 64 68.890 1.775 3.358 1.00 0.00 H new ATOM 0 HA ILE A 64 70.770 1.153 1.068 1.00 0.00 H new ATOM 0 HB ILE A 64 68.203 0.385 1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 64 69.394 1.130 -1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 64 69.458 -0.438 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 64 66.626 1.809 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.358 2.701 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 64 67.933 2.977 0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 64 67.678 -0.391 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 64 66.970 -0.610 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 64 66.905 0.983 -1.196 1.00 0.00 H new ATOM 895 N SER A 65 70.693 3.427 -0.003 1.00 0.00 N ATOM 896 CA SER A 65 70.901 4.848 -0.401 1.00 0.00 C ATOM 897 C SER A 65 70.799 4.999 -1.921 1.00 0.00 C ATOM 898 O SER A 65 71.671 4.580 -2.655 1.00 0.00 O ATOM 899 CB SER A 65 72.311 5.185 0.080 1.00 0.00 C ATOM 900 OG SER A 65 72.251 6.284 0.980 1.00 0.00 O ATOM 0 H SER A 65 71.045 2.732 -0.661 1.00 0.00 H new ATOM 0 HA SER A 65 70.151 5.512 0.029 1.00 0.00 H new ATOM 0 HB2 SER A 65 72.756 4.320 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 65 72.948 5.430 -0.769 1.00 0.00 H new ATOM 0 HG SER A 65 73.154 6.501 1.292 1.00 0.00 H new ATOM 906 N THR A 66 69.739 5.598 -2.392 1.00 0.00 N ATOM 907 CA THR A 66 69.569 5.785 -3.864 1.00 0.00 C ATOM 908 C THR A 66 69.780 4.462 -4.602 1.00 0.00 C ATOM 909 O THR A 66 70.890 3.996 -4.763 1.00 0.00 O ATOM 910 CB THR A 66 70.637 6.805 -4.271 1.00 0.00 C ATOM 911 OG1 THR A 66 71.903 6.164 -4.339 1.00 0.00 O ATOM 912 CG2 THR A 66 70.690 7.937 -3.244 1.00 0.00 C ATOM 0 H THR A 66 68.980 5.968 -1.820 1.00 0.00 H new ATOM 0 HA THR A 66 68.565 6.128 -4.115 1.00 0.00 H new ATOM 0 HB THR A 66 70.386 7.219 -5.248 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.834 5.263 -3.959 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.451 8.660 -3.538 1.00 0.00 H new ATOM 0 HG22 THR A 66 69.720 8.431 -3.197 1.00 0.00 H new ATOM 0 HG23 THR A 66 70.937 7.528 -2.264 1.00 0.00 H new ATOM 920 N CYS A 67 68.719 3.857 -5.057 1.00 0.00 N ATOM 921 CA CYS A 67 68.851 2.567 -5.792 1.00 0.00 C ATOM 922 C CYS A 67 68.122 2.657 -7.135 1.00 0.00 C ATOM 923 O CYS A 67 67.991 3.720 -7.708 1.00 0.00 O ATOM 924 CB CYS A 67 68.191 1.530 -4.883 1.00 0.00 C ATOM 925 SG CYS A 67 69.378 0.222 -4.486 1.00 0.00 S ATOM 0 H CYS A 67 67.764 4.200 -4.952 1.00 0.00 H new ATOM 0 HA CYS A 67 69.888 2.311 -6.011 1.00 0.00 H new ATOM 0 HB2 CYS A 67 67.840 2.006 -3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 67 67.317 1.104 -5.376 1.00 0.00 H new ATOM 0 HG CYS A 67 68.762 -0.757 -3.892 1.00 0.00 H new ATOM 930 N ILE A 68 67.648 1.554 -7.643 1.00 0.00 N ATOM 931 CA ILE A 68 66.932 1.593 -8.950 1.00 0.00 C ATOM 932 C ILE A 68 65.649 0.761 -8.884 1.00 0.00 C ATOM 933 O ILE A 68 65.619 -0.311 -8.313 1.00 0.00 O ATOM 934 CB ILE A 68 67.913 0.992 -9.956 1.00 0.00 C ATOM 935 CG1 ILE A 68 67.267 0.967 -11.342 1.00 0.00 C ATOM 936 CG2 ILE A 68 68.270 -0.434 -9.535 1.00 0.00 C ATOM 937 CD1 ILE A 68 67.669 2.224 -12.116 1.00 0.00 C ATOM 0 H ILE A 68 67.724 0.632 -7.214 1.00 0.00 H new ATOM 0 HA ILE A 68 66.634 2.605 -9.225 1.00 0.00 H new ATOM 0 HB ILE A 68 68.819 1.598 -9.986 1.00 0.00 H new ATOM 0 HG12 ILE A 68 67.582 0.076 -11.886 1.00 0.00 H new ATOM 0 HG13 ILE A 68 66.182 0.916 -11.248 1.00 0.00 H new ATOM 0 HG21 ILE A 68 68.970 -0.861 -10.253 1.00 0.00 H new ATOM 0 HG22 ILE A 68 68.730 -0.417 -8.547 1.00 0.00 H new ATOM 0 HG23 ILE A 68 67.366 -1.041 -9.504 1.00 0.00 H new ATOM 0 HD11 ILE A 68 67.208 2.206 -13.104 1.00 0.00 H new ATOM 0 HD12 ILE A 68 67.332 3.108 -11.575 1.00 0.00 H new ATOM 0 HD13 ILE A 68 68.753 2.255 -12.222 1.00 0.00 H new ATOM 949 N ILE A 69 64.589 1.250 -9.469 1.00 0.00 N ATOM 950 CA ILE A 69 63.306 0.492 -9.448 1.00 0.00 C ATOM 951 C ILE A 69 63.415 -0.747 -10.338 1.00 0.00 C ATOM 952 O ILE A 69 63.386 -0.657 -11.549 1.00 0.00 O ATOM 953 CB ILE A 69 62.267 1.462 -10.008 1.00 0.00 C ATOM 954 CG1 ILE A 69 60.929 0.734 -10.173 1.00 0.00 C ATOM 955 CG2 ILE A 69 62.733 1.979 -11.370 1.00 0.00 C ATOM 956 CD1 ILE A 69 59.798 1.760 -10.243 1.00 0.00 C ATOM 0 H ILE A 69 64.557 2.143 -9.961 1.00 0.00 H new ATOM 0 HA ILE A 69 63.044 0.146 -8.448 1.00 0.00 H new ATOM 0 HB ILE A 69 62.146 2.300 -9.322 1.00 0.00 H new ATOM 0 HG12 ILE A 69 60.942 0.128 -11.079 1.00 0.00 H new ATOM 0 HG13 ILE A 69 60.767 0.054 -9.337 1.00 0.00 H new ATOM 0 HG21 ILE A 69 61.992 2.671 -11.770 1.00 0.00 H new ATOM 0 HG22 ILE A 69 63.687 2.494 -11.257 1.00 0.00 H new ATOM 0 HG23 ILE A 69 62.853 1.140 -12.056 1.00 0.00 H new ATOM 0 HD11 ILE A 69 58.845 1.244 -10.360 1.00 0.00 H new ATOM 0 HD12 ILE A 69 59.782 2.347 -9.325 1.00 0.00 H new ATOM 0 HD13 ILE A 69 59.959 2.422 -11.094 1.00 0.00 H new ATOM 968 N THR A 70 63.540 -1.905 -9.750 1.00 0.00 N ATOM 969 CA THR A 70 63.650 -3.144 -10.572 1.00 0.00 C ATOM 970 C THR A 70 63.027 -4.329 -9.834 1.00 0.00 C ATOM 971 O THR A 70 63.057 -4.404 -8.621 1.00 0.00 O ATOM 972 CB THR A 70 65.153 -3.360 -10.767 1.00 0.00 C ATOM 973 OG1 THR A 70 65.763 -2.129 -11.129 1.00 0.00 O ATOM 974 CG2 THR A 70 65.383 -4.391 -11.872 1.00 0.00 C ATOM 0 H THR A 70 63.571 -2.047 -8.740 1.00 0.00 H new ATOM 0 HA THR A 70 63.125 -3.055 -11.523 1.00 0.00 H new ATOM 0 HB THR A 70 65.592 -3.724 -9.838 1.00 0.00 H new ATOM 0 HG1 THR A 70 66.726 -2.265 -11.253 1.00 0.00 H new ATOM 0 HG21 THR A 70 66.453 -4.544 -12.010 1.00 0.00 H new ATOM 0 HG22 THR A 70 64.915 -5.335 -11.592 1.00 0.00 H new ATOM 0 HG23 THR A 70 64.945 -4.031 -12.803 1.00 0.00 H new ATOM 982 N GLY A 71 62.466 -5.260 -10.556 1.00 0.00 N ATOM 983 CA GLY A 71 61.845 -6.441 -9.894 1.00 0.00 C ATOM 984 C GLY A 71 62.946 -7.350 -9.348 1.00 0.00 C ATOM 985 O GLY A 71 63.038 -8.511 -9.697 1.00 0.00 O ATOM 0 H GLY A 71 62.411 -5.254 -11.574 1.00 0.00 H new ATOM 0 HA2 GLY A 71 61.191 -6.117 -9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 71 61.226 -6.987 -10.605 1.00 0.00 H new ATOM 989 N GLY A 72 63.786 -6.830 -8.495 1.00 0.00 N ATOM 990 CA GLY A 72 64.886 -7.660 -7.929 1.00 0.00 C ATOM 991 C GLY A 72 66.173 -6.835 -7.885 1.00 0.00 C ATOM 992 O GLY A 72 66.726 -6.476 -8.906 1.00 0.00 O ATOM 0 H GLY A 72 63.758 -5.865 -8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 72 64.623 -7.998 -6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 72 65.033 -8.552 -8.538 1.00 0.00 H new ATOM 1091 N LYS A 81 73.731 1.902 -2.859 1.00 0.00 N ATOM 1092 CA LYS A 81 74.349 1.774 -1.508 1.00 0.00 C ATOM 1093 C LYS A 81 73.542 0.799 -0.646 1.00 0.00 C ATOM 1094 O LYS A 81 72.393 1.038 -0.330 1.00 0.00 O ATOM 1095 CB LYS A 81 74.301 3.182 -0.920 1.00 0.00 C ATOM 1096 CG LYS A 81 75.579 3.936 -1.287 1.00 0.00 C ATOM 1097 CD LYS A 81 75.491 4.408 -2.739 1.00 0.00 C ATOM 1098 CE LYS A 81 76.642 3.804 -3.547 1.00 0.00 C ATOM 1099 NZ LYS A 81 77.008 4.854 -4.539 1.00 0.00 N ATOM 0 HA LYS A 81 75.366 1.386 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 81 73.430 3.716 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 81 74.196 3.131 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 81 75.714 4.790 -0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 81 76.447 3.289 -1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 81 74.535 4.111 -3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 81 75.536 5.496 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 81 77.487 3.555 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 81 76.336 2.882 -4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 77.792 4.514 -5.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 76.186 5.065 -5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 77.302 5.717 -4.039 1.00 0.00 H new ATOM 1113 N ILE A 82 74.135 -0.301 -0.268 1.00 0.00 N ATOM 1114 CA ILE A 82 73.405 -1.296 0.567 1.00 0.00 C ATOM 1115 C ILE A 82 74.275 -1.738 1.747 1.00 0.00 C ATOM 1116 O ILE A 82 75.464 -1.946 1.608 1.00 0.00 O ATOM 1117 CB ILE A 82 73.144 -2.465 -0.383 1.00 0.00 C ATOM 1118 CG1 ILE A 82 72.490 -3.627 0.384 1.00 0.00 C ATOM 1119 CG2 ILE A 82 74.463 -2.924 -1.010 1.00 0.00 C ATOM 1120 CD1 ILE A 82 73.525 -4.380 1.233 1.00 0.00 C ATOM 0 H ILE A 82 75.095 -0.553 -0.502 1.00 0.00 H new ATOM 0 HA ILE A 82 72.485 -0.896 0.993 1.00 0.00 H new ATOM 0 HB ILE A 82 72.468 -2.141 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 82 71.698 -3.243 1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 82 72.023 -4.315 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 82 74.274 -3.757 -1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 82 74.908 -2.099 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 82 75.148 -3.243 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 82 73.035 -5.196 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 82 74.303 -4.784 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 82 73.973 -3.695 1.953 1.00 0.00 H new ATOM 1132 N SER A 83 73.694 -1.884 2.908 1.00 0.00 N ATOM 1133 CA SER A 83 74.500 -2.316 4.087 1.00 0.00 C ATOM 1134 C SER A 83 73.682 -3.233 5.005 1.00 0.00 C ATOM 1135 O SER A 83 73.188 -2.815 6.033 1.00 0.00 O ATOM 1136 CB SER A 83 74.864 -1.022 4.812 1.00 0.00 C ATOM 1137 OG SER A 83 76.217 -0.692 4.531 1.00 0.00 O ATOM 0 H SER A 83 72.703 -1.724 3.091 1.00 0.00 H new ATOM 0 HA SER A 83 75.381 -2.884 3.788 1.00 0.00 H new ATOM 0 HB2 SER A 83 74.206 -0.214 4.491 1.00 0.00 H new ATOM 0 HB3 SER A 83 74.722 -1.141 5.886 1.00 0.00 H new ATOM 0 HG SER A 83 76.454 0.139 4.993 1.00 0.00 H new ATOM 1143 N GLY A 84 73.550 -4.484 4.653 1.00 0.00 N ATOM 1144 CA GLY A 84 72.781 -5.426 5.518 1.00 0.00 C ATOM 1145 C GLY A 84 71.340 -5.549 5.019 1.00 0.00 C ATOM 1146 O GLY A 84 70.402 -5.498 5.789 1.00 0.00 O ATOM 0 H GLY A 84 73.941 -4.894 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 84 73.259 -6.406 5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 84 72.787 -5.071 6.549 1.00 0.00 H new ATOM 1150 N CYS A 85 71.153 -5.713 3.739 1.00 0.00 N ATOM 1151 CA CYS A 85 69.766 -5.842 3.200 1.00 0.00 C ATOM 1152 C CYS A 85 69.663 -7.035 2.247 1.00 0.00 C ATOM 1153 O CYS A 85 70.649 -7.513 1.720 1.00 0.00 O ATOM 1154 CB CYS A 85 69.515 -4.546 2.433 1.00 0.00 C ATOM 1155 SG CYS A 85 67.961 -3.808 2.988 1.00 0.00 S ATOM 0 H CYS A 85 71.897 -5.763 3.043 1.00 0.00 H new ATOM 0 HA CYS A 85 69.040 -6.004 3.996 1.00 0.00 H new ATOM 0 HB2 CYS A 85 70.338 -3.850 2.594 1.00 0.00 H new ATOM 0 HB3 CYS A 85 69.473 -4.747 1.363 1.00 0.00 H new ATOM 1160 N THR A 86 68.469 -7.505 2.010 1.00 0.00 N ATOM 1161 CA THR A 86 68.281 -8.651 1.078 1.00 0.00 C ATOM 1162 C THR A 86 67.441 -8.197 -0.117 1.00 0.00 C ATOM 1163 O THR A 86 66.713 -7.228 -0.037 1.00 0.00 O ATOM 1164 CB THR A 86 67.534 -9.709 1.891 1.00 0.00 C ATOM 1165 OG1 THR A 86 67.319 -10.859 1.085 1.00 0.00 O ATOM 1166 CG2 THR A 86 66.190 -9.143 2.348 1.00 0.00 C ATOM 0 H THR A 86 67.611 -7.142 2.425 1.00 0.00 H new ATOM 0 HA THR A 86 69.223 -9.038 0.689 1.00 0.00 H new ATOM 0 HB THR A 86 68.126 -9.985 2.764 1.00 0.00 H new ATOM 0 HG1 THR A 86 66.842 -11.539 1.605 1.00 0.00 H new ATOM 0 HG21 THR A 86 65.656 -9.896 2.928 1.00 0.00 H new ATOM 0 HG22 THR A 86 66.358 -8.261 2.966 1.00 0.00 H new ATOM 0 HG23 THR A 86 65.596 -8.868 1.477 1.00 0.00 H new ATOM 1174 N PHE A 87 67.532 -8.877 -1.228 1.00 0.00 N ATOM 1175 CA PHE A 87 66.732 -8.456 -2.414 1.00 0.00 C ATOM 1176 C PHE A 87 66.114 -9.669 -3.115 1.00 0.00 C ATOM 1177 O PHE A 87 66.749 -10.688 -3.298 1.00 0.00 O ATOM 1178 CB PHE A 87 67.731 -7.755 -3.334 1.00 0.00 C ATOM 1179 CG PHE A 87 68.447 -6.670 -2.567 1.00 0.00 C ATOM 1180 CD1 PHE A 87 67.713 -5.715 -1.850 1.00 0.00 C ATOM 1181 CD2 PHE A 87 69.847 -6.616 -2.573 1.00 0.00 C ATOM 1182 CE1 PHE A 87 68.380 -4.709 -1.141 1.00 0.00 C ATOM 1183 CE2 PHE A 87 70.511 -5.608 -1.863 1.00 0.00 C ATOM 1184 CZ PHE A 87 69.777 -4.655 -1.148 1.00 0.00 C ATOM 0 H PHE A 87 68.120 -9.699 -1.366 1.00 0.00 H new ATOM 0 HA PHE A 87 65.902 -7.806 -2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 87 68.451 -8.475 -3.723 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.213 -7.327 -4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 87 66.634 -5.755 -1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 87 70.414 -7.351 -3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 87 67.815 -3.974 -0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 87 71.590 -5.566 -1.867 1.00 0.00 H new ATOM 0 HZ PHE A 87 70.290 -3.877 -0.601 1.00 0.00 H new ATOM 1194 N SER A 88 64.876 -9.555 -3.514 1.00 0.00 N ATOM 1195 CA SER A 88 64.197 -10.685 -4.212 1.00 0.00 C ATOM 1196 C SER A 88 62.846 -10.219 -4.763 1.00 0.00 C ATOM 1197 O SER A 88 62.104 -9.526 -4.097 1.00 0.00 O ATOM 1198 CB SER A 88 64.002 -11.757 -3.141 1.00 0.00 C ATOM 1199 OG SER A 88 63.596 -12.969 -3.760 1.00 0.00 O ATOM 0 H SER A 88 64.302 -8.722 -3.386 1.00 0.00 H new ATOM 0 HA SER A 88 64.775 -11.061 -5.056 1.00 0.00 H new ATOM 0 HB2 SER A 88 64.930 -11.910 -2.590 1.00 0.00 H new ATOM 0 HB3 SER A 88 63.252 -11.434 -2.419 1.00 0.00 H new ATOM 0 HG SER A 88 63.472 -13.660 -3.076 1.00 0.00 H new ATOM 1205 N ALA A 89 62.525 -10.587 -5.975 1.00 0.00 N ATOM 1206 CA ALA A 89 61.224 -10.158 -6.569 1.00 0.00 C ATOM 1207 C ALA A 89 60.108 -10.234 -5.521 1.00 0.00 C ATOM 1208 O ALA A 89 60.039 -11.160 -4.739 1.00 0.00 O ATOM 1209 CB ALA A 89 60.959 -11.145 -7.706 1.00 0.00 C ATOM 0 H ALA A 89 63.107 -11.166 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 89 61.256 -9.128 -6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 89 60.017 -10.894 -8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 89 61.769 -11.089 -8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 89 60.902 -12.156 -7.304 1.00 0.00 H new ATOM 1215 N ASN A 90 59.234 -9.264 -5.501 1.00 0.00 N ATOM 1216 CA ASN A 90 58.126 -9.280 -4.502 1.00 0.00 C ATOM 1217 C ASN A 90 56.928 -10.056 -5.054 1.00 0.00 C ATOM 1218 O ASN A 90 55.920 -10.117 -4.368 1.00 0.00 O ATOM 1219 CB ASN A 90 57.766 -7.807 -4.285 1.00 0.00 C ATOM 1220 CG ASN A 90 57.065 -7.255 -5.530 1.00 0.00 C ATOM 1221 OD1 ASN A 90 56.105 -7.828 -6.007 1.00 0.00 O ATOM 1222 ND2 ASN A 90 57.504 -6.154 -6.075 1.00 0.00 N ATOM 1223 OXT ASN A 90 57.039 -10.577 -6.151 1.00 0.00 O ATOM 0 H ASN A 90 59.239 -8.462 -6.132 1.00 0.00 H new ATOM 0 HA ASN A 90 58.414 -9.768 -3.571 1.00 0.00 H new ATOM 0 HB2 ASN A 90 57.116 -7.706 -3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 90 58.667 -7.230 -4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 90 57.042 -5.774 -6.901 1.00 0.00 H new ATOM 0 HD22 ASN A 90 58.310 -5.673 -5.675 1.00 0.00 H new