USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 514 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+ 180:sc= 0 (180deg=0) 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 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0742 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -166:sc= -1.62 USER MOD Single : A 18 MET CE :methyl 158:sc= -0.498 (180deg=-1.66!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -1.85 K(o=-1.8,f=-8.3!) USER MOD Single : A 23 ASN : amide:sc= -0.0858 K(o=-0.086,f=-1.4) USER MOD Single : A 26 GLN : amide:sc= -0.0637 K(o=-0.064,f=-0.97) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 66:sc= -1.91! USER MOD Single : A 39 SER OG : rot 97:sc= 0.179 USER MOD Single : A 40 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.2) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0893 K(o=-0.089,f=-1.8!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 86:sc= 0.00226 USER MOD Single : A 59 ASN : amide:sc= -1.88 K(o=-1.9,f=-8.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.322 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 67.108 20.861 5.415 1.00 0.00 N ATOM 2 CA GLY A 1 67.187 19.467 5.941 1.00 0.00 C ATOM 3 C GLY A 1 65.774 18.923 6.158 1.00 0.00 C ATOM 4 O GLY A 1 65.367 17.963 5.532 1.00 0.00 O ATOM 0 H1 GLY A 1 68.069 21.231 5.267 1.00 0.00 H new ATOM 0 H2 GLY A 1 66.594 20.862 4.511 1.00 0.00 H new ATOM 0 H3 GLY A 1 66.607 21.462 6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 1 67.729 18.832 5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 1 67.742 19.452 6.879 1.00 0.00 H new ATOM 10 N SER A 2 65.021 19.532 7.045 1.00 0.00 N ATOM 11 CA SER A 2 63.622 19.061 7.321 1.00 0.00 C ATOM 12 C SER A 2 63.605 17.563 7.647 1.00 0.00 C ATOM 13 O SER A 2 64.636 16.957 7.871 1.00 0.00 O ATOM 14 CB SER A 2 62.838 19.340 6.036 1.00 0.00 C ATOM 15 OG SER A 2 63.055 20.687 5.636 1.00 0.00 O ATOM 0 H SER A 2 65.316 20.340 7.593 1.00 0.00 H new ATOM 0 HA SER A 2 63.189 19.572 8.181 1.00 0.00 H new ATOM 0 HB2 SER A 2 63.156 18.659 5.247 1.00 0.00 H new ATOM 0 HB3 SER A 2 61.775 19.164 6.200 1.00 0.00 H new ATOM 0 HG SER A 2 62.556 20.868 4.812 1.00 0.00 H new ATOM 21 N MET A 3 62.440 16.966 7.672 1.00 0.00 N ATOM 22 CA MET A 3 62.346 15.508 7.983 1.00 0.00 C ATOM 23 C MET A 3 61.772 14.748 6.784 1.00 0.00 C ATOM 24 O MET A 3 61.138 13.721 6.935 1.00 0.00 O ATOM 25 CB MET A 3 61.399 15.418 9.179 1.00 0.00 C ATOM 26 CG MET A 3 62.207 15.484 10.476 1.00 0.00 C ATOM 27 SD MET A 3 61.127 15.111 11.880 1.00 0.00 S ATOM 28 CE MET A 3 62.379 14.333 12.929 1.00 0.00 C ATOM 0 H MET A 3 61.548 17.427 7.490 1.00 0.00 H new ATOM 0 HA MET A 3 63.319 15.068 8.201 1.00 0.00 H new ATOM 0 HB2 MET A 3 60.676 16.233 9.146 1.00 0.00 H new ATOM 0 HB3 MET A 3 60.832 14.488 9.138 1.00 0.00 H new ATOM 0 HG2 MET A 3 63.032 14.773 10.439 1.00 0.00 H new ATOM 0 HG3 MET A 3 62.645 16.475 10.594 1.00 0.00 H new ATOM 0 HE1 MET A 3 61.923 14.019 13.868 1.00 0.00 H new ATOM 0 HE2 MET A 3 62.793 13.464 12.418 1.00 0.00 H new ATOM 0 HE3 MET A 3 63.177 15.047 13.134 1.00 0.00 H new ATOM 38 N SER A 4 61.989 15.247 5.590 1.00 0.00 N ATOM 39 CA SER A 4 61.462 14.566 4.361 1.00 0.00 C ATOM 40 C SER A 4 59.956 14.300 4.488 1.00 0.00 C ATOM 41 O SER A 4 59.470 13.249 4.116 1.00 0.00 O ATOM 42 CB SER A 4 62.233 13.247 4.265 1.00 0.00 C ATOM 43 OG SER A 4 62.520 12.969 2.900 1.00 0.00 O ATOM 0 H SER A 4 62.513 16.104 5.412 1.00 0.00 H new ATOM 0 HA SER A 4 61.596 15.182 3.472 1.00 0.00 H new ATOM 0 HB2 SER A 4 63.158 13.311 4.837 1.00 0.00 H new ATOM 0 HB3 SER A 4 61.646 12.437 4.697 1.00 0.00 H new ATOM 0 HG SER A 4 63.015 12.126 2.835 1.00 0.00 H new ATOM 49 N THR A 5 59.221 15.248 5.011 1.00 0.00 N ATOM 50 CA THR A 5 57.748 15.062 5.167 1.00 0.00 C ATOM 51 C THR A 5 56.993 16.144 4.389 1.00 0.00 C ATOM 52 O THR A 5 56.104 16.789 4.913 1.00 0.00 O ATOM 53 CB THR A 5 57.488 15.200 6.669 1.00 0.00 C ATOM 54 OG1 THR A 5 58.281 14.254 7.373 1.00 0.00 O ATOM 55 CG2 THR A 5 56.009 14.947 6.958 1.00 0.00 C ATOM 0 H THR A 5 59.579 16.145 5.338 1.00 0.00 H new ATOM 0 HA THR A 5 57.410 14.100 4.782 1.00 0.00 H new ATOM 0 HB THR A 5 57.750 16.207 6.993 1.00 0.00 H new ATOM 0 HG1 THR A 5 58.117 14.342 8.335 1.00 0.00 H new ATOM 0 HG21 THR A 5 55.825 15.046 8.028 1.00 0.00 H new ATOM 0 HG22 THR A 5 55.403 15.674 6.417 1.00 0.00 H new ATOM 0 HG23 THR A 5 55.742 13.941 6.635 1.00 0.00 H new ATOM 63 N SER A 6 57.341 16.342 3.144 1.00 0.00 N ATOM 64 CA SER A 6 56.648 17.379 2.322 1.00 0.00 C ATOM 65 C SER A 6 55.705 16.716 1.318 1.00 0.00 C ATOM 66 O SER A 6 54.641 17.224 1.024 1.00 0.00 O ATOM 67 CB SER A 6 57.769 18.123 1.597 1.00 0.00 C ATOM 68 OG SER A 6 58.377 17.251 0.653 1.00 0.00 O ATOM 0 H SER A 6 58.077 15.829 2.660 1.00 0.00 H new ATOM 0 HA SER A 6 56.041 18.050 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 6 57.370 19.003 1.092 1.00 0.00 H new ATOM 0 HB3 SER A 6 58.510 18.475 2.314 1.00 0.00 H new ATOM 0 HG SER A 6 59.095 17.725 0.185 1.00 0.00 H new ATOM 74 N GLU A 7 56.093 15.584 0.793 1.00 0.00 N ATOM 75 CA GLU A 7 55.229 14.873 -0.197 1.00 0.00 C ATOM 76 C GLU A 7 55.645 13.404 -0.307 1.00 0.00 C ATOM 77 O GLU A 7 56.793 13.093 -0.567 1.00 0.00 O ATOM 78 CB GLU A 7 55.467 15.596 -1.524 1.00 0.00 C ATOM 79 CG GLU A 7 54.463 16.740 -1.671 1.00 0.00 C ATOM 80 CD GLU A 7 54.109 16.923 -3.147 1.00 0.00 C ATOM 81 OE1 GLU A 7 55.020 16.923 -3.959 1.00 0.00 O ATOM 82 OE2 GLU A 7 52.933 17.061 -3.442 1.00 0.00 O ATOM 0 H GLU A 7 56.975 15.119 1.008 1.00 0.00 H new ATOM 0 HA GLU A 7 54.178 14.885 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 7 56.485 15.985 -1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 7 55.362 14.898 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 7 53.563 16.524 -1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 7 54.885 17.662 -1.271 1.00 0.00 H new ATOM 89 N LEU A 8 54.717 12.501 -0.113 1.00 0.00 N ATOM 90 CA LEU A 8 55.047 11.046 -0.207 1.00 0.00 C ATOM 91 C LEU A 8 53.854 10.268 -0.768 1.00 0.00 C ATOM 92 O LEU A 8 52.745 10.381 -0.283 1.00 0.00 O ATOM 93 CB LEU A 8 55.361 10.609 1.230 1.00 0.00 C ATOM 94 CG LEU A 8 54.146 10.856 2.134 1.00 0.00 C ATOM 95 CD1 LEU A 8 53.334 9.566 2.263 1.00 0.00 C ATOM 96 CD2 LEU A 8 54.622 11.295 3.521 1.00 0.00 C ATOM 0 H LEU A 8 53.743 12.709 0.107 1.00 0.00 H new ATOM 0 HA LEU A 8 55.887 10.856 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.628 9.552 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.222 11.161 1.606 1.00 0.00 H new ATOM 0 HG LEU A 8 53.523 11.637 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 8 52.471 9.742 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 8 52.994 9.250 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 8 53.958 8.786 2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.759 11.470 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.245 10.514 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 8 55.201 12.214 3.433 1.00 0.00 H new ATOM 108 N LYS A 9 54.076 9.478 -1.791 1.00 0.00 N ATOM 109 CA LYS A 9 52.960 8.681 -2.397 1.00 0.00 C ATOM 110 C LYS A 9 53.501 7.762 -3.493 1.00 0.00 C ATOM 111 O LYS A 9 52.905 7.618 -4.543 1.00 0.00 O ATOM 112 CB LYS A 9 51.985 9.708 -2.993 1.00 0.00 C ATOM 113 CG LYS A 9 52.714 10.595 -4.009 1.00 0.00 C ATOM 114 CD LYS A 9 51.791 11.732 -4.451 1.00 0.00 C ATOM 115 CE LYS A 9 52.622 12.987 -4.728 1.00 0.00 C ATOM 116 NZ LYS A 9 51.794 13.796 -5.664 1.00 0.00 N ATOM 0 H LYS A 9 54.985 9.350 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 9 52.470 8.048 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 9 51.154 9.195 -3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 9 51.561 10.323 -2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 9 53.623 11.002 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 9 53.018 10.003 -4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 9 51.242 11.442 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 9 51.052 11.936 -3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 9 52.828 13.535 -3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 9 53.585 12.733 -5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 52.297 14.675 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 51.619 13.251 -6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 50.886 14.028 -5.213 1.00 0.00 H new ATOM 130 N LYS A 10 54.628 7.139 -3.253 1.00 0.00 N ATOM 131 CA LYS A 10 55.219 6.220 -4.277 1.00 0.00 C ATOM 132 C LYS A 10 56.429 5.478 -3.693 1.00 0.00 C ATOM 133 O LYS A 10 57.331 6.079 -3.139 1.00 0.00 O ATOM 134 CB LYS A 10 55.645 7.129 -5.441 1.00 0.00 C ATOM 135 CG LYS A 10 55.064 6.598 -6.755 1.00 0.00 C ATOM 136 CD LYS A 10 55.827 7.206 -7.934 1.00 0.00 C ATOM 137 CE LYS A 10 55.102 8.463 -8.418 1.00 0.00 C ATOM 138 NZ LYS A 10 54.165 7.985 -9.473 1.00 0.00 N ATOM 0 H LYS A 10 55.166 7.227 -2.391 1.00 0.00 H new ATOM 0 HA LYS A 10 54.510 5.458 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.298 8.147 -5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 10 56.732 7.169 -5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 10 55.136 5.511 -6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 10 54.006 6.849 -6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 10 56.845 7.454 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 10 55.902 6.481 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.565 8.947 -7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 10 55.804 9.195 -8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 53.631 8.792 -9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 54.705 7.535 -10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 53.504 7.295 -9.063 1.00 0.00 H new ATOM 152 N VAL A 11 56.452 4.178 -3.828 1.00 0.00 N ATOM 153 CA VAL A 11 57.594 3.365 -3.300 1.00 0.00 C ATOM 154 C VAL A 11 57.686 2.059 -4.086 1.00 0.00 C ATOM 155 O VAL A 11 56.716 1.608 -4.656 1.00 0.00 O ATOM 156 CB VAL A 11 57.293 3.080 -1.821 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.477 4.360 -1.006 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.860 2.560 -1.653 1.00 0.00 C ATOM 0 H VAL A 11 55.720 3.636 -4.287 1.00 0.00 H new ATOM 0 HA VAL A 11 58.543 3.891 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 11 57.983 2.316 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.263 4.157 0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.504 4.710 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.795 5.127 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.665 2.364 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.156 3.308 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.738 1.638 -2.222 1.00 0.00 H new ATOM 168 N VAL A 12 58.842 1.455 -4.125 1.00 0.00 N ATOM 169 CA VAL A 12 59.006 0.183 -4.889 1.00 0.00 C ATOM 170 C VAL A 12 58.899 -1.012 -3.916 1.00 0.00 C ATOM 171 O VAL A 12 58.707 -0.834 -2.733 1.00 0.00 O ATOM 172 CB VAL A 12 60.416 0.342 -5.539 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.298 -0.912 -5.422 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.249 0.673 -7.018 1.00 0.00 C ATOM 0 H VAL A 12 59.685 1.789 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 12 58.247 -0.006 -5.649 1.00 0.00 H new ATOM 0 HB VAL A 12 60.918 1.142 -4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.261 -0.725 -5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.452 -1.152 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.807 -1.750 -5.917 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.230 0.786 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.706 -0.133 -7.512 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.691 1.603 -7.122 1.00 0.00 H new ATOM 184 N ALA A 13 59.032 -2.217 -4.415 1.00 0.00 N ATOM 185 CA ALA A 13 58.956 -3.420 -3.532 1.00 0.00 C ATOM 186 C ALA A 13 60.243 -4.240 -3.669 1.00 0.00 C ATOM 187 O ALA A 13 60.737 -4.449 -4.761 1.00 0.00 O ATOM 188 CB ALA A 13 57.761 -4.218 -4.047 1.00 0.00 C ATOM 0 H ALA A 13 59.191 -2.419 -5.402 1.00 0.00 H new ATOM 0 HA ALA A 13 58.844 -3.159 -2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.640 -5.120 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.859 -3.610 -3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.930 -4.495 -5.088 1.00 0.00 H new ATOM 194 N LEU A 14 60.790 -4.703 -2.572 1.00 0.00 N ATOM 195 CA LEU A 14 62.049 -5.506 -2.643 1.00 0.00 C ATOM 196 C LEU A 14 61.745 -7.002 -2.542 1.00 0.00 C ATOM 197 O LEU A 14 62.363 -7.813 -3.206 1.00 0.00 O ATOM 198 CB LEU A 14 62.886 -5.048 -1.447 1.00 0.00 C ATOM 199 CG LEU A 14 63.213 -3.558 -1.587 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.948 -3.075 -0.333 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.106 -3.344 -2.813 1.00 0.00 C ATOM 0 H LEU A 14 60.420 -4.560 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 14 62.570 -5.357 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.341 -5.225 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.807 -5.629 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 14 62.288 -2.994 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.180 -2.015 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.315 -3.227 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.873 -3.639 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.339 -2.284 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.030 -3.909 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.585 -3.687 -3.707 1.00 0.00 H new ATOM 213 N TYR A 15 60.800 -7.371 -1.717 1.00 0.00 N ATOM 214 CA TYR A 15 60.455 -8.818 -1.568 1.00 0.00 C ATOM 215 C TYR A 15 58.936 -9.006 -1.553 1.00 0.00 C ATOM 216 O TYR A 15 58.182 -8.052 -1.524 1.00 0.00 O ATOM 217 CB TYR A 15 61.056 -9.242 -0.227 1.00 0.00 C ATOM 218 CG TYR A 15 62.555 -9.061 -0.263 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.359 -10.009 -0.909 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.141 -7.948 0.351 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.748 -9.842 -0.941 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.531 -7.781 0.318 1.00 0.00 C ATOM 223 CZ TYR A 15 65.334 -8.728 -0.328 1.00 0.00 C ATOM 224 OH TYR A 15 66.704 -8.563 -0.361 1.00 0.00 O ATOM 0 H TYR A 15 60.252 -6.734 -1.140 1.00 0.00 H new ATOM 0 HA TYR A 15 60.842 -9.414 -2.394 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.627 -8.647 0.579 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.810 -10.284 -0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.907 -10.868 -1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.521 -7.218 0.850 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.368 -10.573 -1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.983 -6.922 0.791 1.00 0.00 H new ATOM 0 HH TYR A 15 66.946 -7.738 0.110 1.00 0.00 H new ATOM 234 N ASP A 16 58.488 -10.235 -1.578 1.00 0.00 N ATOM 235 CA ASP A 16 57.019 -10.506 -1.571 1.00 0.00 C ATOM 236 C ASP A 16 56.455 -10.382 -0.152 1.00 0.00 C ATOM 237 O ASP A 16 57.164 -10.532 0.825 1.00 0.00 O ATOM 238 CB ASP A 16 56.876 -11.941 -2.081 1.00 0.00 C ATOM 239 CG ASP A 16 56.864 -11.940 -3.610 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.929 -11.817 -4.192 1.00 0.00 O ATOM 241 OD2 ASP A 16 55.789 -12.064 -4.175 1.00 0.00 O ATOM 0 H ASP A 16 59.079 -11.066 -1.603 1.00 0.00 H new ATOM 0 HA ASP A 16 56.470 -9.796 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.700 -12.553 -1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.956 -12.384 -1.700 1.00 0.00 H new ATOM 246 N TYR A 17 55.180 -10.109 -0.039 1.00 0.00 N ATOM 247 CA TYR A 17 54.547 -9.970 1.305 1.00 0.00 C ATOM 248 C TYR A 17 53.021 -9.995 1.147 1.00 0.00 C ATOM 249 O TYR A 17 52.348 -8.999 1.335 1.00 0.00 O ATOM 250 CB TYR A 17 55.051 -8.613 1.825 1.00 0.00 C ATOM 251 CG TYR A 17 54.310 -8.203 3.079 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.523 -8.888 4.280 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.412 -7.130 3.036 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.838 -8.500 5.438 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.726 -6.742 4.192 1.00 0.00 C ATOM 256 CZ TYR A 17 52.940 -7.427 5.393 1.00 0.00 C ATOM 257 OH TYR A 17 52.266 -7.044 6.535 1.00 0.00 O ATOM 0 H TYR A 17 54.547 -9.976 -0.827 1.00 0.00 H new ATOM 0 HA TYR A 17 54.799 -10.773 1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.119 -8.673 2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.919 -7.853 1.055 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.216 -9.716 4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.248 -6.601 2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 17 54.002 -9.028 6.365 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.032 -5.915 4.157 1.00 0.00 H new ATOM 0 HH TYR A 17 51.529 -6.444 6.294 1.00 0.00 H new ATOM 267 N MET A 18 52.477 -11.132 0.793 1.00 0.00 N ATOM 268 CA MET A 18 50.997 -11.241 0.609 1.00 0.00 C ATOM 269 C MET A 18 50.263 -10.896 1.917 1.00 0.00 C ATOM 270 O MET A 18 50.870 -10.888 2.969 1.00 0.00 O ATOM 271 CB MET A 18 50.743 -12.700 0.222 1.00 0.00 C ATOM 272 CG MET A 18 50.791 -12.841 -1.300 1.00 0.00 C ATOM 273 SD MET A 18 50.094 -14.441 -1.781 1.00 0.00 S ATOM 274 CE MET A 18 48.382 -14.093 -1.307 1.00 0.00 C ATOM 0 H MET A 18 52.996 -11.993 0.623 1.00 0.00 H new ATOM 0 HA MET A 18 50.631 -10.549 -0.150 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.492 -13.345 0.681 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.772 -13.023 0.597 1.00 0.00 H new ATOM 0 HG2 MET A 18 50.230 -12.032 -1.769 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.820 -12.760 -1.651 1.00 0.00 H new ATOM 0 HE1 MET A 18 47.711 -14.758 -1.851 1.00 0.00 H new ATOM 0 HE2 MET A 18 48.261 -14.253 -0.236 1.00 0.00 H new ATOM 0 HE3 MET A 18 48.141 -13.058 -1.548 1.00 0.00 H new ATOM 284 N PRO A 19 48.975 -10.611 1.819 1.00 0.00 N ATOM 285 CA PRO A 19 48.188 -10.258 3.025 1.00 0.00 C ATOM 286 C PRO A 19 48.011 -11.480 3.933 1.00 0.00 C ATOM 287 O PRO A 19 47.885 -12.596 3.467 1.00 0.00 O ATOM 288 CB PRO A 19 46.845 -9.814 2.432 1.00 0.00 C ATOM 289 CG PRO A 19 46.918 -9.940 0.898 1.00 0.00 C ATOM 290 CD PRO A 19 48.237 -10.617 0.527 1.00 0.00 C ATOM 0 HA PRO A 19 48.658 -9.496 3.646 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.036 -10.431 2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.628 -8.785 2.717 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.076 -10.523 0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.854 -8.956 0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.083 -11.629 0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.771 -10.068 -0.248 1.00 0.00 H new ATOM 298 N MET A 20 47.991 -11.269 5.224 1.00 0.00 N ATOM 299 CA MET A 20 47.810 -12.408 6.173 1.00 0.00 C ATOM 300 C MET A 20 46.342 -12.499 6.591 1.00 0.00 C ATOM 301 O MET A 20 45.729 -13.546 6.522 1.00 0.00 O ATOM 302 CB MET A 20 48.688 -12.067 7.378 1.00 0.00 C ATOM 303 CG MET A 20 50.150 -11.973 6.939 1.00 0.00 C ATOM 304 SD MET A 20 50.942 -13.591 7.113 1.00 0.00 S ATOM 305 CE MET A 20 52.236 -13.347 5.872 1.00 0.00 C ATOM 0 H MET A 20 48.093 -10.354 5.663 1.00 0.00 H new ATOM 0 HA MET A 20 48.084 -13.366 5.732 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.369 -11.122 7.817 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.578 -12.830 8.148 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.208 -11.638 5.903 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.675 -11.233 7.543 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.856 -14.242 5.812 1.00 0.00 H new ATOM 0 HE2 MET A 20 51.778 -13.157 4.901 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.855 -12.495 6.154 1.00 0.00 H new ATOM 315 N ASN A 21 45.780 -11.399 7.021 1.00 0.00 N ATOM 316 CA ASN A 21 44.350 -11.395 7.445 1.00 0.00 C ATOM 317 C ASN A 21 43.562 -10.366 6.631 1.00 0.00 C ATOM 318 O ASN A 21 42.579 -10.687 5.990 1.00 0.00 O ATOM 319 CB ASN A 21 44.375 -11.006 8.924 1.00 0.00 C ATOM 320 CG ASN A 21 45.091 -12.094 9.726 1.00 0.00 C ATOM 321 OD1 ASN A 21 46.135 -12.571 9.328 1.00 0.00 O ATOM 322 ND2 ASN A 21 44.570 -12.510 10.848 1.00 0.00 N ATOM 0 H ASN A 21 46.254 -10.499 7.097 1.00 0.00 H new ATOM 0 HA ASN A 21 43.869 -12.360 7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.885 -10.051 9.051 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.358 -10.876 9.294 1.00 0.00 H new ATOM 0 HD21 ASN A 21 45.039 -13.235 11.390 1.00 0.00 H new ATOM 0 HD22 ASN A 21 43.693 -12.110 11.183 1.00 0.00 H new ATOM 329 N ALA A 22 43.995 -9.133 6.655 1.00 0.00 N ATOM 330 CA ALA A 22 43.286 -8.064 5.886 1.00 0.00 C ATOM 331 C ALA A 22 44.113 -6.775 5.881 1.00 0.00 C ATOM 332 O ALA A 22 44.199 -6.084 4.884 1.00 0.00 O ATOM 333 CB ALA A 22 41.964 -7.846 6.624 1.00 0.00 C ATOM 0 H ALA A 22 44.813 -8.817 7.176 1.00 0.00 H new ATOM 0 HA ALA A 22 43.129 -8.346 4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.387 -7.073 6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.395 -8.776 6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 22 42.166 -7.534 7.649 1.00 0.00 H new ATOM 339 N ASN A 23 44.718 -6.452 6.993 1.00 0.00 N ATOM 340 CA ASN A 23 45.544 -5.207 7.073 1.00 0.00 C ATOM 341 C ASN A 23 46.682 -5.232 6.068 1.00 0.00 C ATOM 342 O ASN A 23 46.812 -4.361 5.231 1.00 0.00 O ATOM 343 CB ASN A 23 46.142 -5.200 8.473 1.00 0.00 C ATOM 344 CG ASN A 23 45.233 -4.421 9.424 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.802 -3.329 9.113 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.922 -4.942 10.580 1.00 0.00 N ATOM 0 H ASN A 23 44.677 -6.998 7.854 1.00 0.00 H new ATOM 0 HA ASN A 23 44.931 -4.331 6.861 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.265 -6.222 8.830 1.00 0.00 H new ATOM 0 HB3 ASN A 23 47.134 -4.748 8.452 1.00 0.00 H new ATOM 0 HD21 ASN A 23 44.316 -4.432 11.223 1.00 0.00 H new ATOM 0 HD22 ASN A 23 45.285 -5.859 10.840 1.00 0.00 H new ATOM 353 N ASP A 24 47.538 -6.209 6.191 1.00 0.00 N ATOM 354 CA ASP A 24 48.728 -6.305 5.294 1.00 0.00 C ATOM 355 C ASP A 24 48.352 -6.108 3.817 1.00 0.00 C ATOM 356 O ASP A 24 47.361 -6.631 3.343 1.00 0.00 O ATOM 357 CB ASP A 24 49.290 -7.711 5.522 1.00 0.00 C ATOM 358 CG ASP A 24 49.692 -7.881 6.991 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.033 -6.888 7.615 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.652 -9.003 7.467 1.00 0.00 O ATOM 0 H ASP A 24 47.464 -6.955 6.883 1.00 0.00 H new ATOM 0 HA ASP A 24 49.454 -5.524 5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.544 -8.458 5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.154 -7.875 4.878 1.00 0.00 H new ATOM 365 N LEU A 25 49.144 -5.353 3.094 1.00 0.00 N ATOM 366 CA LEU A 25 48.848 -5.113 1.652 1.00 0.00 C ATOM 367 C LEU A 25 49.517 -6.195 0.799 1.00 0.00 C ATOM 368 O LEU A 25 50.556 -6.718 1.156 1.00 0.00 O ATOM 369 CB LEU A 25 49.440 -3.732 1.343 1.00 0.00 C ATOM 370 CG LEU A 25 48.920 -3.249 -0.019 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.573 -2.540 0.160 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.924 -2.276 -0.645 1.00 0.00 C ATOM 0 H LEU A 25 49.984 -4.893 3.444 1.00 0.00 H new ATOM 0 HA LEU A 25 47.781 -5.147 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.164 -3.023 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.529 -3.785 1.331 1.00 0.00 H new ATOM 0 HG LEU A 25 48.793 -4.111 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.209 -2.200 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.852 -3.232 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.698 -1.683 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.549 -1.937 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 25 50.058 -1.418 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.881 -2.780 -0.784 1.00 0.00 H new ATOM 384 N GLN A 26 48.928 -6.537 -0.318 1.00 0.00 N ATOM 385 CA GLN A 26 49.525 -7.593 -1.193 1.00 0.00 C ATOM 386 C GLN A 26 50.715 -7.031 -1.969 1.00 0.00 C ATOM 387 O GLN A 26 50.601 -6.671 -3.125 1.00 0.00 O ATOM 388 CB GLN A 26 48.404 -8.005 -2.149 1.00 0.00 C ATOM 389 CG GLN A 26 48.803 -9.289 -2.880 1.00 0.00 C ATOM 390 CD GLN A 26 47.888 -9.494 -4.088 1.00 0.00 C ATOM 391 OE1 GLN A 26 47.560 -8.553 -4.783 1.00 0.00 O ATOM 392 NE2 GLN A 26 47.458 -10.693 -4.370 1.00 0.00 N ATOM 0 H GLN A 26 48.058 -6.131 -0.663 1.00 0.00 H new ATOM 0 HA GLN A 26 49.897 -8.440 -0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.478 -8.162 -1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.214 -7.208 -2.868 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.842 -9.228 -3.204 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.729 -10.142 -2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 26 47.733 -11.484 -3.787 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.847 -10.840 -5.173 1.00 0.00 H new ATOM 401 N LEU A 27 51.857 -6.962 -1.336 1.00 0.00 N ATOM 402 CA LEU A 27 53.068 -6.432 -2.021 1.00 0.00 C ATOM 403 C LEU A 27 53.693 -7.512 -2.914 1.00 0.00 C ATOM 404 O LEU A 27 53.097 -8.537 -3.179 1.00 0.00 O ATOM 405 CB LEU A 27 54.019 -6.037 -0.887 1.00 0.00 C ATOM 406 CG LEU A 27 53.780 -4.573 -0.499 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.972 -4.505 0.797 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.124 -3.869 -0.291 1.00 0.00 C ATOM 0 H LEU A 27 52.001 -7.252 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 27 52.842 -5.588 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.859 -6.683 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.053 -6.176 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 27 53.227 -4.080 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.805 -3.462 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.012 -5.001 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.522 -5.004 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.951 -2.829 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.677 -4.368 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.702 -3.908 -1.214 1.00 0.00 H new ATOM 420 N ARG A 28 54.890 -7.275 -3.383 1.00 0.00 N ATOM 421 CA ARG A 28 55.580 -8.257 -4.268 1.00 0.00 C ATOM 422 C ARG A 28 57.035 -7.827 -4.466 1.00 0.00 C ATOM 423 O ARG A 28 57.560 -7.036 -3.704 1.00 0.00 O ATOM 424 CB ARG A 28 54.821 -8.204 -5.596 1.00 0.00 C ATOM 425 CG ARG A 28 54.737 -9.609 -6.195 1.00 0.00 C ATOM 426 CD ARG A 28 53.433 -9.753 -6.983 1.00 0.00 C ATOM 427 NE ARG A 28 53.055 -11.186 -6.841 1.00 0.00 N ATOM 428 CZ ARG A 28 52.685 -11.870 -7.889 1.00 0.00 C ATOM 429 NH1 ARG A 28 51.806 -11.374 -8.715 1.00 0.00 N ATOM 430 NH2 ARG A 28 53.196 -13.049 -8.112 1.00 0.00 N ATOM 0 H ARG A 28 55.426 -6.430 -3.187 1.00 0.00 H new ATOM 0 HA ARG A 28 55.588 -9.264 -3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.819 -7.804 -5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.327 -7.532 -6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.591 -9.788 -6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.780 -10.356 -5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.657 -9.099 -6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.572 -9.483 -8.030 1.00 0.00 H new ATOM 0 HE ARG A 28 53.085 -11.633 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 28 51.407 -10.451 -8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 28 51.517 -11.909 -9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 28 53.885 -13.437 -7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 28 52.907 -13.584 -8.931 1.00 0.00 H new ATOM 444 N LYS A 29 57.688 -8.334 -5.480 1.00 0.00 N ATOM 445 CA LYS A 29 59.104 -7.950 -5.724 1.00 0.00 C ATOM 446 C LYS A 29 59.243 -7.231 -7.067 1.00 0.00 C ATOM 447 O LYS A 29 58.899 -7.760 -8.107 1.00 0.00 O ATOM 448 CB LYS A 29 59.885 -9.266 -5.716 1.00 0.00 C ATOM 449 CG LYS A 29 61.376 -8.980 -5.910 1.00 0.00 C ATOM 450 CD LYS A 29 62.192 -10.197 -5.468 1.00 0.00 C ATOM 451 CE LYS A 29 62.310 -11.182 -6.633 1.00 0.00 C ATOM 452 NZ LYS A 29 62.514 -12.511 -5.993 1.00 0.00 N ATOM 0 H LYS A 29 57.298 -8.998 -6.149 1.00 0.00 H new ATOM 0 HA LYS A 29 59.478 -7.259 -4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.725 -9.790 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.524 -9.920 -6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.580 -8.753 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.667 -8.104 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 29 63.183 -9.884 -5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.713 -10.680 -4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.411 -11.174 -7.249 1.00 0.00 H new ATOM 0 HE3 LYS A 29 63.145 -10.925 -7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 62.604 -13.240 -6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.381 -12.490 -5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 61.700 -12.732 -5.384 1.00 0.00 H new ATOM 466 N GLY A 30 59.740 -6.020 -7.041 1.00 0.00 N ATOM 467 CA GLY A 30 59.902 -5.239 -8.302 1.00 0.00 C ATOM 468 C GLY A 30 58.692 -4.324 -8.496 1.00 0.00 C ATOM 469 O GLY A 30 58.779 -3.307 -9.158 1.00 0.00 O ATOM 0 H GLY A 30 60.042 -5.537 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.816 -4.647 -8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.999 -5.916 -9.151 1.00 0.00 H new ATOM 473 N ASP A 31 57.565 -4.671 -7.920 1.00 0.00 N ATOM 474 CA ASP A 31 56.354 -3.814 -8.068 1.00 0.00 C ATOM 475 C ASP A 31 56.489 -2.577 -7.182 1.00 0.00 C ATOM 476 O ASP A 31 57.366 -2.506 -6.347 1.00 0.00 O ATOM 477 CB ASP A 31 55.183 -4.685 -7.604 1.00 0.00 C ATOM 478 CG ASP A 31 53.877 -4.133 -8.179 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.511 -4.546 -9.267 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.265 -3.308 -7.521 1.00 0.00 O ATOM 0 H ASP A 31 57.435 -5.510 -7.355 1.00 0.00 H new ATOM 0 HA ASP A 31 56.212 -3.466 -9.091 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.330 -5.715 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 31 55.136 -4.700 -6.515 1.00 0.00 H new ATOM 485 N GLU A 32 55.632 -1.604 -7.353 1.00 0.00 N ATOM 486 CA GLU A 32 55.719 -0.369 -6.509 1.00 0.00 C ATOM 487 C GLU A 32 54.319 -0.015 -5.994 1.00 0.00 C ATOM 488 O GLU A 32 53.329 -0.518 -6.493 1.00 0.00 O ATOM 489 CB GLU A 32 56.271 0.740 -7.420 1.00 0.00 C ATOM 490 CG GLU A 32 57.460 0.230 -8.247 1.00 0.00 C ATOM 491 CD GLU A 32 56.950 -0.368 -9.559 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.971 0.140 -10.079 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.548 -1.325 -10.023 1.00 0.00 O ATOM 0 H GLU A 32 54.876 -1.608 -8.038 1.00 0.00 H new ATOM 0 HA GLU A 32 56.366 -0.504 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.484 1.093 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.582 1.591 -6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.151 1.047 -8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 32 58.013 -0.521 -7.683 1.00 0.00 H new ATOM 500 N TYR A 33 54.227 0.806 -4.977 1.00 0.00 N ATOM 501 CA TYR A 33 52.889 1.142 -4.403 1.00 0.00 C ATOM 502 C TYR A 33 52.735 2.646 -4.184 1.00 0.00 C ATOM 503 O TYR A 33 53.550 3.443 -4.607 1.00 0.00 O ATOM 504 CB TYR A 33 52.849 0.436 -3.040 1.00 0.00 C ATOM 505 CG TYR A 33 53.446 -0.949 -3.127 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.664 -2.026 -3.554 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.790 -1.140 -2.800 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.232 -3.298 -3.656 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.356 -2.410 -2.896 1.00 0.00 C ATOM 510 CZ TYR A 33 54.578 -3.489 -3.325 1.00 0.00 C ATOM 511 OH TYR A 33 55.140 -4.738 -3.433 1.00 0.00 O ATOM 0 H TYR A 33 55.020 1.257 -4.521 1.00 0.00 H new ATOM 0 HA TYR A 33 52.090 0.830 -5.076 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.397 1.026 -2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.818 0.370 -2.691 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.624 -1.875 -3.804 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.391 -0.304 -2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.633 -4.133 -3.990 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.394 -2.560 -2.639 1.00 0.00 H new ATOM 0 HH TYR A 33 55.164 -5.005 -4.375 1.00 0.00 H new ATOM 521 N PHE A 34 51.689 3.023 -3.495 1.00 0.00 N ATOM 522 CA PHE A 34 51.445 4.465 -3.195 1.00 0.00 C ATOM 523 C PHE A 34 51.405 4.676 -1.679 1.00 0.00 C ATOM 524 O PHE A 34 50.690 3.993 -0.971 1.00 0.00 O ATOM 525 CB PHE A 34 50.092 4.785 -3.821 1.00 0.00 C ATOM 526 CG PHE A 34 50.302 5.294 -5.227 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.595 4.397 -6.262 1.00 0.00 C ATOM 528 CD2 PHE A 34 50.215 6.665 -5.493 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.800 4.872 -7.562 1.00 0.00 C ATOM 530 CE2 PHE A 34 50.419 7.141 -6.794 1.00 0.00 C ATOM 531 CZ PHE A 34 50.712 6.244 -7.828 1.00 0.00 C ATOM 0 H PHE A 34 50.985 2.385 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 34 52.229 5.111 -3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.464 3.894 -3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.570 5.534 -3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.663 3.339 -6.057 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.990 7.356 -4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 34 51.026 4.181 -8.360 1.00 0.00 H new ATOM 0 HE2 PHE A 34 50.350 8.199 -6.999 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.870 6.610 -8.832 1.00 0.00 H new ATOM 541 N ILE A 35 52.180 5.602 -1.181 1.00 0.00 N ATOM 542 CA ILE A 35 52.215 5.848 0.293 1.00 0.00 C ATOM 543 C ILE A 35 51.194 6.912 0.707 1.00 0.00 C ATOM 544 O ILE A 35 51.138 7.991 0.151 1.00 0.00 O ATOM 545 CB ILE A 35 53.647 6.325 0.575 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.654 5.247 0.140 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.827 6.617 2.068 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.386 3.930 0.883 1.00 0.00 C ATOM 0 H ILE A 35 52.793 6.202 -1.733 1.00 0.00 H new ATOM 0 HA ILE A 35 51.957 4.953 0.859 1.00 0.00 H new ATOM 0 HB ILE A 35 53.826 7.239 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.581 5.086 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.670 5.586 0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.847 6.954 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.127 7.395 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.635 5.710 2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 35 55.108 3.178 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.482 4.092 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.377 3.584 0.657 1.00 0.00 H new ATOM 560 N LEU A 36 50.400 6.603 1.698 1.00 0.00 N ATOM 561 CA LEU A 36 49.383 7.578 2.190 1.00 0.00 C ATOM 562 C LEU A 36 49.737 8.018 3.616 1.00 0.00 C ATOM 563 O LEU A 36 49.414 9.113 4.034 1.00 0.00 O ATOM 564 CB LEU A 36 48.053 6.819 2.186 1.00 0.00 C ATOM 565 CG LEU A 36 47.741 6.313 0.770 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.157 4.899 0.847 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.726 7.248 0.105 1.00 0.00 C ATOM 0 H LEU A 36 50.413 5.710 2.191 1.00 0.00 H new ATOM 0 HA LEU A 36 49.338 8.473 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.102 5.979 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.252 7.471 2.533 1.00 0.00 H new ATOM 0 HG LEU A 36 48.659 6.295 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 36 46.936 4.541 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 36 47.879 4.232 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 36 46.240 4.916 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 36 46.505 6.889 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.809 7.267 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 36 47.141 8.254 0.047 1.00 0.00 H new ATOM 579 N GLU A 37 50.397 7.164 4.360 1.00 0.00 N ATOM 580 CA GLU A 37 50.776 7.517 5.760 1.00 0.00 C ATOM 581 C GLU A 37 52.288 7.744 5.863 1.00 0.00 C ATOM 582 O GLU A 37 52.981 7.831 4.870 1.00 0.00 O ATOM 583 CB GLU A 37 50.356 6.308 6.600 1.00 0.00 C ATOM 584 CG GLU A 37 48.990 6.575 7.236 1.00 0.00 C ATOM 585 CD GLU A 37 48.810 5.671 8.456 1.00 0.00 C ATOM 586 OE1 GLU A 37 49.654 5.719 9.335 1.00 0.00 O ATOM 587 OE2 GLU A 37 47.830 4.944 8.490 1.00 0.00 O ATOM 0 H GLU A 37 50.689 6.236 4.055 1.00 0.00 H new ATOM 0 HA GLU A 37 50.296 8.436 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 37 50.309 5.416 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 37 51.098 6.115 7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 37 48.913 7.621 7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 37 48.197 6.388 6.512 1.00 0.00 H new ATOM 594 N GLU A 38 52.797 7.838 7.067 1.00 0.00 N ATOM 595 CA GLU A 38 54.258 8.063 7.286 1.00 0.00 C ATOM 596 C GLU A 38 54.495 8.131 8.790 1.00 0.00 C ATOM 597 O GLU A 38 55.226 8.970 9.283 1.00 0.00 O ATOM 598 CB GLU A 38 54.597 9.411 6.628 1.00 0.00 C ATOM 599 CG GLU A 38 53.701 10.517 7.199 1.00 0.00 C ATOM 600 CD GLU A 38 54.253 11.884 6.789 1.00 0.00 C ATOM 601 OE1 GLU A 38 55.348 12.210 7.218 1.00 0.00 O ATOM 602 OE2 GLU A 38 53.573 12.580 6.054 1.00 0.00 O ATOM 0 H GLU A 38 52.249 7.767 7.924 1.00 0.00 H new ATOM 0 HA GLU A 38 54.876 7.271 6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.645 9.656 6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 38 54.460 9.342 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 38 52.682 10.400 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 38 53.659 10.441 8.286 1.00 0.00 H new ATOM 609 N SER A 39 53.850 7.259 9.516 1.00 0.00 N ATOM 610 CA SER A 39 53.986 7.248 11.002 1.00 0.00 C ATOM 611 C SER A 39 55.450 7.099 11.410 1.00 0.00 C ATOM 612 O SER A 39 56.349 7.214 10.598 1.00 0.00 O ATOM 613 CB SER A 39 53.182 6.032 11.459 1.00 0.00 C ATOM 614 OG SER A 39 51.809 6.238 11.156 1.00 0.00 O ATOM 0 H SER A 39 53.227 6.545 9.139 1.00 0.00 H new ATOM 0 HA SER A 39 53.629 8.175 11.451 1.00 0.00 H new ATOM 0 HB2 SER A 39 53.546 5.133 10.961 1.00 0.00 H new ATOM 0 HB3 SER A 39 53.311 5.878 12.530 1.00 0.00 H new ATOM 0 HG SER A 39 51.590 5.793 10.310 1.00 0.00 H new ATOM 620 N ASN A 40 55.691 6.838 12.666 1.00 0.00 N ATOM 621 CA ASN A 40 57.092 6.675 13.141 1.00 0.00 C ATOM 622 C ASN A 40 57.506 5.204 13.083 1.00 0.00 C ATOM 623 O ASN A 40 58.388 4.782 13.810 1.00 0.00 O ATOM 624 CB ASN A 40 57.079 7.172 14.587 1.00 0.00 C ATOM 625 CG ASN A 40 57.144 8.700 14.602 1.00 0.00 C ATOM 626 OD1 ASN A 40 56.375 9.360 13.930 1.00 0.00 O ATOM 627 ND2 ASN A 40 58.036 9.296 15.345 1.00 0.00 N ATOM 0 H ASN A 40 54.975 6.731 13.385 1.00 0.00 H new ATOM 0 HA ASN A 40 57.802 7.227 12.525 1.00 0.00 H new ATOM 0 HB2 ASN A 40 56.175 6.831 15.092 1.00 0.00 H new ATOM 0 HB3 ASN A 40 57.926 6.756 15.133 1.00 0.00 H new ATOM 0 HD21 ASN A 40 58.088 10.315 15.362 1.00 0.00 H new ATOM 0 HD22 ASN A 40 58.682 8.743 15.909 1.00 0.00 H new ATOM 634 N LEU A 41 56.891 4.414 12.227 1.00 0.00 N ATOM 635 CA LEU A 41 57.284 2.973 12.148 1.00 0.00 C ATOM 636 C LEU A 41 57.465 2.528 10.685 1.00 0.00 C ATOM 637 O LEU A 41 56.945 3.161 9.788 1.00 0.00 O ATOM 638 CB LEU A 41 56.156 2.183 12.818 1.00 0.00 C ATOM 639 CG LEU A 41 54.823 2.470 12.121 1.00 0.00 C ATOM 640 CD1 LEU A 41 53.980 1.193 12.092 1.00 0.00 C ATOM 641 CD2 LEU A 41 54.068 3.554 12.893 1.00 0.00 C ATOM 0 H LEU A 41 56.147 4.702 11.592 1.00 0.00 H new ATOM 0 HA LEU A 41 58.238 2.801 12.646 1.00 0.00 H new ATOM 0 HB2 LEU A 41 56.375 1.116 12.776 1.00 0.00 H new ATOM 0 HB3 LEU A 41 56.089 2.453 13.872 1.00 0.00 H new ATOM 0 HG LEU A 41 55.011 2.809 11.102 1.00 0.00 H new ATOM 0 HD11 LEU A 41 53.031 1.395 11.596 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.516 0.416 11.547 1.00 0.00 H new ATOM 0 HD13 LEU A 41 53.793 0.858 13.112 1.00 0.00 H new ATOM 0 HD21 LEU A 41 53.119 3.759 12.398 1.00 0.00 H new ATOM 0 HD22 LEU A 41 53.880 3.212 13.911 1.00 0.00 H new ATOM 0 HD23 LEU A 41 54.667 4.464 12.921 1.00 0.00 H new ATOM 653 N PRO A 42 58.210 1.451 10.479 1.00 0.00 N ATOM 654 CA PRO A 42 58.454 0.948 9.105 1.00 0.00 C ATOM 655 C PRO A 42 57.141 0.595 8.398 1.00 0.00 C ATOM 656 O PRO A 42 57.020 0.745 7.196 1.00 0.00 O ATOM 657 CB PRO A 42 59.293 -0.314 9.348 1.00 0.00 C ATOM 658 CG PRO A 42 59.491 -0.495 10.863 1.00 0.00 C ATOM 659 CD PRO A 42 58.845 0.683 11.589 1.00 0.00 C ATOM 0 HA PRO A 42 58.942 1.682 8.464 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.793 -1.186 8.926 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.258 -0.227 8.849 1.00 0.00 H new ATOM 0 HG2 PRO A 42 59.043 -1.433 11.193 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.553 -0.548 11.101 1.00 0.00 H new ATOM 0 HD2 PRO A 42 58.110 0.352 12.323 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.582 1.281 12.124 1.00 0.00 H new ATOM 667 N TRP A 43 56.169 0.110 9.125 1.00 0.00 N ATOM 668 CA TRP A 43 54.872 -0.277 8.486 1.00 0.00 C ATOM 669 C TRP A 43 54.018 0.966 8.227 1.00 0.00 C ATOM 670 O TRP A 43 53.742 1.740 9.124 1.00 0.00 O ATOM 671 CB TRP A 43 54.178 -1.196 9.495 1.00 0.00 C ATOM 672 CG TRP A 43 55.055 -2.356 9.835 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.911 -2.370 10.866 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.175 -3.655 9.181 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.559 -3.590 10.903 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.139 -4.419 9.884 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.553 -4.241 8.064 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.472 -5.716 9.493 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.886 -5.547 7.669 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.843 -6.282 8.382 1.00 0.00 C ATOM 0 H TRP A 43 56.215 -0.036 10.133 1.00 0.00 H new ATOM 0 HA TRP A 43 55.024 -0.770 7.526 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.937 -0.637 10.399 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.235 -1.554 9.081 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.069 -1.556 11.558 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.261 -3.846 11.598 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.815 -3.683 7.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.211 -6.278 10.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.402 -5.988 6.810 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.094 -7.286 8.072 1.00 0.00 H new ATOM 691 N TRP A 44 53.604 1.161 7.002 1.00 0.00 N ATOM 692 CA TRP A 44 52.770 2.346 6.661 1.00 0.00 C ATOM 693 C TRP A 44 51.369 1.898 6.237 1.00 0.00 C ATOM 694 O TRP A 44 50.971 0.771 6.448 1.00 0.00 O ATOM 695 CB TRP A 44 53.462 2.976 5.451 1.00 0.00 C ATOM 696 CG TRP A 44 54.877 3.348 5.742 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.380 3.763 6.931 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.974 3.361 4.802 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.736 4.014 6.769 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.145 3.780 5.466 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.053 3.040 3.439 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.365 3.880 4.792 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.267 3.139 2.755 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.427 3.559 3.429 1.00 0.00 C ATOM 0 H TRP A 44 53.811 0.543 6.218 1.00 0.00 H new ATOM 0 HA TRP A 44 52.672 3.028 7.506 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.436 2.277 4.615 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.911 3.864 5.141 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.821 3.879 7.848 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.354 4.331 7.516 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.168 2.713 2.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.252 4.202 5.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.315 2.892 1.705 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.364 3.634 2.898 1.00 0.00 H new ATOM 715 N ARG A 45 50.648 2.774 5.592 1.00 0.00 N ATOM 716 CA ARG A 45 49.296 2.435 5.075 1.00 0.00 C ATOM 717 C ARG A 45 49.275 2.850 3.602 1.00 0.00 C ATOM 718 O ARG A 45 48.720 3.868 3.238 1.00 0.00 O ATOM 719 CB ARG A 45 48.318 3.274 5.899 1.00 0.00 C ATOM 720 CG ARG A 45 46.890 3.018 5.415 1.00 0.00 C ATOM 721 CD ARG A 45 45.913 3.870 6.227 1.00 0.00 C ATOM 722 NE ARG A 45 45.466 2.987 7.340 1.00 0.00 N ATOM 723 CZ ARG A 45 44.283 2.440 7.304 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.918 1.743 6.262 1.00 0.00 N ATOM 725 NH2 ARG A 45 43.464 2.587 8.309 1.00 0.00 N ATOM 0 H ARG A 45 50.948 3.730 5.399 1.00 0.00 H new ATOM 0 HA ARG A 45 49.038 1.379 5.152 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.406 3.020 6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.561 4.332 5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.805 3.260 4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 45 46.643 1.962 5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.396 4.770 6.607 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.070 4.194 5.617 1.00 0.00 H new ATOM 0 HE ARG A 45 46.086 2.810 8.131 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.558 1.627 5.477 1.00 0.00 H new ATOM 0 HH12 ARG A 45 42.993 1.315 6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 45 43.749 3.130 9.124 1.00 0.00 H new ATOM 0 HH22 ARG A 45 42.539 2.159 8.280 1.00 0.00 H new ATOM 739 N ALA A 46 49.926 2.084 2.766 1.00 0.00 N ATOM 740 CA ALA A 46 50.013 2.435 1.318 1.00 0.00 C ATOM 741 C ALA A 46 49.143 1.501 0.478 1.00 0.00 C ATOM 742 O ALA A 46 48.856 0.387 0.873 1.00 0.00 O ATOM 743 CB ALA A 46 51.499 2.247 0.976 1.00 0.00 C ATOM 0 H ALA A 46 50.405 1.222 3.027 1.00 0.00 H new ATOM 0 HA ALA A 46 49.659 3.445 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.663 2.483 -0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.102 2.911 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.788 1.213 1.165 1.00 0.00 H new ATOM 749 N ARG A 47 48.727 1.947 -0.682 1.00 0.00 N ATOM 750 CA ARG A 47 47.881 1.081 -1.554 1.00 0.00 C ATOM 751 C ARG A 47 48.709 0.537 -2.713 1.00 0.00 C ATOM 752 O ARG A 47 49.756 1.064 -3.036 1.00 0.00 O ATOM 753 CB ARG A 47 46.779 1.981 -2.100 1.00 0.00 C ATOM 754 CG ARG A 47 45.751 2.271 -1.010 1.00 0.00 C ATOM 755 CD ARG A 47 44.906 3.482 -1.418 1.00 0.00 C ATOM 756 NE ARG A 47 43.687 2.906 -2.050 1.00 0.00 N ATOM 757 CZ ARG A 47 42.573 3.585 -2.056 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.568 4.827 -2.457 1.00 0.00 N ATOM 759 NH2 ARG A 47 41.464 3.023 -1.661 1.00 0.00 N ATOM 0 H ARG A 47 48.937 2.871 -1.060 1.00 0.00 H new ATOM 0 HA ARG A 47 47.478 0.234 -0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.208 2.915 -2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.294 1.501 -2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 47 45.111 1.402 -0.857 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.254 2.467 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.650 4.094 -0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.446 4.124 -2.114 1.00 0.00 H new ATOM 0 HE ARG A 47 43.723 1.981 -2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.435 5.267 -2.766 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.697 5.358 -2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 47 41.468 2.052 -1.347 1.00 0.00 H new ATOM 0 HH22 ARG A 47 40.593 3.554 -1.666 1.00 0.00 H new ATOM 773 N ASP A 48 48.241 -0.504 -3.347 1.00 0.00 N ATOM 774 CA ASP A 48 48.994 -1.079 -4.495 1.00 0.00 C ATOM 775 C ASP A 48 48.452 -0.527 -5.819 1.00 0.00 C ATOM 776 O ASP A 48 47.805 0.503 -5.852 1.00 0.00 O ATOM 777 CB ASP A 48 48.772 -2.593 -4.397 1.00 0.00 C ATOM 778 CG ASP A 48 47.278 -2.935 -4.519 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.462 -2.031 -4.427 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.976 -4.102 -4.705 1.00 0.00 O ATOM 0 H ASP A 48 47.369 -0.981 -3.118 1.00 0.00 H new ATOM 0 HA ASP A 48 50.053 -0.825 -4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.331 -3.099 -5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.157 -2.961 -3.446 1.00 0.00 H new ATOM 785 N LYS A 49 48.716 -1.205 -6.907 1.00 0.00 N ATOM 786 CA LYS A 49 48.227 -0.729 -8.232 1.00 0.00 C ATOM 787 C LYS A 49 46.823 -1.282 -8.532 1.00 0.00 C ATOM 788 O LYS A 49 46.354 -1.210 -9.653 1.00 0.00 O ATOM 789 CB LYS A 49 49.245 -1.277 -9.232 1.00 0.00 C ATOM 790 CG LYS A 49 48.894 -0.789 -10.634 1.00 0.00 C ATOM 791 CD LYS A 49 50.129 -0.876 -11.533 1.00 0.00 C ATOM 792 CE LYS A 49 51.119 0.226 -11.151 1.00 0.00 C ATOM 793 NZ LYS A 49 52.464 -0.390 -11.325 1.00 0.00 N ATOM 0 H LYS A 49 49.252 -2.072 -6.932 1.00 0.00 H new ATOM 0 HA LYS A 49 48.142 0.357 -8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 49 50.249 -0.949 -8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 49 49.247 -2.367 -9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 49 48.087 -1.393 -11.049 1.00 0.00 H new ATOM 0 HG3 LYS A 49 48.534 0.239 -10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.599 -1.854 -11.429 1.00 0.00 H new ATOM 0 HD3 LYS A 49 49.839 -0.772 -12.578 1.00 0.00 H new ATOM 0 HE2 LYS A 49 51.000 1.102 -11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 49 50.966 0.556 -10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 53.198 0.305 -11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 52.550 -1.217 -10.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 52.584 -0.688 -12.314 1.00 0.00 H new ATOM 807 N ASN A 50 46.150 -1.829 -7.546 1.00 0.00 N ATOM 808 CA ASN A 50 44.787 -2.378 -7.779 1.00 0.00 C ATOM 809 C ASN A 50 43.731 -1.451 -7.171 1.00 0.00 C ATOM 810 O ASN A 50 42.605 -1.393 -7.630 1.00 0.00 O ATOM 811 CB ASN A 50 44.779 -3.736 -7.079 1.00 0.00 C ATOM 812 CG ASN A 50 45.466 -4.774 -7.968 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.449 -4.661 -9.177 1.00 0.00 O ATOM 814 ND2 ASN A 50 46.073 -5.789 -7.415 1.00 0.00 N ATOM 0 H ASN A 50 46.492 -1.916 -6.589 1.00 0.00 H new ATOM 0 HA ASN A 50 44.555 -2.468 -8.840 1.00 0.00 H new ATOM 0 HB2 ASN A 50 45.293 -3.666 -6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.754 -4.043 -6.869 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.533 -6.488 -7.998 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.087 -5.883 -6.399 1.00 0.00 H new ATOM 821 N GLY A 51 44.088 -0.727 -6.140 1.00 0.00 N ATOM 822 CA GLY A 51 43.112 0.198 -5.493 1.00 0.00 C ATOM 823 C GLY A 51 42.766 -0.318 -4.095 1.00 0.00 C ATOM 824 O GLY A 51 41.673 -0.112 -3.602 1.00 0.00 O ATOM 0 H GLY A 51 45.017 -0.738 -5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.534 1.201 -5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.209 0.271 -6.099 1.00 0.00 H new ATOM 828 N GLN A 52 43.691 -0.990 -3.456 1.00 0.00 N ATOM 829 CA GLN A 52 43.425 -1.526 -2.089 1.00 0.00 C ATOM 830 C GLN A 52 44.461 -0.988 -1.096 1.00 0.00 C ATOM 831 O GLN A 52 45.637 -0.901 -1.401 1.00 0.00 O ATOM 832 CB GLN A 52 43.555 -3.042 -2.231 1.00 0.00 C ATOM 833 CG GLN A 52 42.192 -3.640 -2.583 1.00 0.00 C ATOM 834 CD GLN A 52 42.252 -5.162 -2.449 1.00 0.00 C ATOM 835 OE1 GLN A 52 43.037 -5.811 -3.112 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.451 -5.765 -1.614 1.00 0.00 N ATOM 0 H GLN A 52 44.621 -1.190 -3.825 1.00 0.00 H new ATOM 0 HA GLN A 52 42.445 -1.232 -1.712 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.282 -3.284 -3.007 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.925 -3.475 -1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.425 -3.236 -1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.914 -3.365 -3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.792 -5.221 -1.057 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.484 -6.780 -1.518 1.00 0.00 H new ATOM 845 N GLU A 53 44.025 -0.629 0.087 1.00 0.00 N ATOM 846 CA GLU A 53 44.967 -0.094 1.119 1.00 0.00 C ATOM 847 C GLU A 53 45.455 -1.230 2.019 1.00 0.00 C ATOM 848 O GLU A 53 44.741 -2.186 2.258 1.00 0.00 O ATOM 849 CB GLU A 53 44.141 0.901 1.942 1.00 0.00 C ATOM 850 CG GLU A 53 43.592 2.012 1.042 1.00 0.00 C ATOM 851 CD GLU A 53 42.305 2.569 1.651 1.00 0.00 C ATOM 852 OE1 GLU A 53 41.446 1.777 2.000 1.00 0.00 O ATOM 853 OE2 GLU A 53 42.201 3.780 1.759 1.00 0.00 O ATOM 0 H GLU A 53 43.051 -0.684 0.384 1.00 0.00 H new ATOM 0 HA GLU A 53 45.844 0.372 0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 53 43.318 0.382 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.759 1.334 2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 53 44.330 2.807 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.396 1.622 0.043 1.00 0.00 H new ATOM 860 N GLY A 54 46.657 -1.130 2.533 1.00 0.00 N ATOM 861 CA GLY A 54 47.174 -2.205 3.429 1.00 0.00 C ATOM 862 C GLY A 54 48.460 -1.724 4.089 1.00 0.00 C ATOM 863 O GLY A 54 48.728 -0.537 4.129 1.00 0.00 O ATOM 0 H GLY A 54 47.298 -0.353 2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.431 -2.453 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.361 -3.114 2.857 1.00 0.00 H new ATOM 867 N TYR A 55 49.255 -2.622 4.615 1.00 0.00 N ATOM 868 CA TYR A 55 50.515 -2.184 5.279 1.00 0.00 C ATOM 869 C TYR A 55 51.742 -2.450 4.402 1.00 0.00 C ATOM 870 O TYR A 55 51.865 -3.479 3.768 1.00 0.00 O ATOM 871 CB TYR A 55 50.594 -2.974 6.585 1.00 0.00 C ATOM 872 CG TYR A 55 49.664 -2.359 7.603 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.280 -2.391 7.396 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.186 -1.756 8.754 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.418 -1.820 8.340 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.324 -1.185 9.698 1.00 0.00 C ATOM 877 CZ TYR A 55 47.940 -1.217 9.491 1.00 0.00 C ATOM 878 OH TYR A 55 47.090 -0.655 10.422 1.00 0.00 O ATOM 0 H TYR A 55 49.087 -3.628 4.613 1.00 0.00 H new ATOM 0 HA TYR A 55 50.507 -1.109 5.458 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.321 -4.015 6.410 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.617 -2.971 6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.877 -2.856 6.508 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.254 -1.731 8.914 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.350 -1.845 8.180 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.727 -0.720 10.586 1.00 0.00 H new ATOM 0 HH TYR A 55 47.615 -0.281 11.160 1.00 0.00 H new ATOM 888 N ILE A 56 52.643 -1.502 4.367 1.00 0.00 N ATOM 889 CA ILE A 56 53.880 -1.637 3.542 1.00 0.00 C ATOM 890 C ILE A 56 55.126 -1.492 4.458 1.00 0.00 C ATOM 891 O ILE A 56 55.437 -0.390 4.868 1.00 0.00 O ATOM 892 CB ILE A 56 53.771 -0.467 2.535 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.919 -0.902 1.348 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.139 -0.034 2.005 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.473 -1.063 1.796 1.00 0.00 C ATOM 0 H ILE A 56 52.572 -0.626 4.884 1.00 0.00 H new ATOM 0 HA ILE A 56 53.979 -2.599 3.039 1.00 0.00 H new ATOM 0 HB ILE A 56 53.321 0.374 3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.984 -0.163 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 56 53.293 -1.842 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 56 55.013 0.789 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.765 0.291 2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.615 -0.874 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.862 -1.374 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.417 -1.818 2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.103 -0.112 2.180 1.00 0.00 H new ATOM 907 N PRO A 57 55.820 -2.584 4.749 1.00 0.00 N ATOM 908 CA PRO A 57 57.031 -2.487 5.605 1.00 0.00 C ATOM 909 C PRO A 57 58.076 -1.589 4.928 1.00 0.00 C ATOM 910 O PRO A 57 58.367 -1.739 3.757 1.00 0.00 O ATOM 911 CB PRO A 57 57.511 -3.941 5.687 1.00 0.00 C ATOM 912 CG PRO A 57 56.551 -4.826 4.870 1.00 0.00 C ATOM 913 CD PRO A 57 55.455 -3.943 4.264 1.00 0.00 C ATOM 0 HA PRO A 57 56.849 -2.050 6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.526 -4.026 5.299 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.538 -4.272 6.725 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.096 -5.345 4.081 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.109 -5.591 5.508 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.449 -3.996 3.175 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.463 -4.240 4.603 1.00 0.00 H new ATOM 921 N SER A 58 58.626 -0.649 5.654 1.00 0.00 N ATOM 922 CA SER A 58 59.640 0.281 5.057 1.00 0.00 C ATOM 923 C SER A 58 60.819 -0.497 4.468 1.00 0.00 C ATOM 924 O SER A 58 61.258 -0.228 3.367 1.00 0.00 O ATOM 925 CB SER A 58 60.111 1.159 6.216 1.00 0.00 C ATOM 926 OG SER A 58 61.174 1.993 5.772 1.00 0.00 O ATOM 0 H SER A 58 58.417 -0.483 6.639 1.00 0.00 H new ATOM 0 HA SER A 58 59.215 0.866 4.242 1.00 0.00 H new ATOM 0 HB2 SER A 58 59.286 1.768 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.444 0.537 7.047 1.00 0.00 H new ATOM 0 HG SER A 58 60.805 2.804 5.363 1.00 0.00 H new ATOM 932 N ASN A 59 61.336 -1.453 5.193 1.00 0.00 N ATOM 933 CA ASN A 59 62.493 -2.249 4.678 1.00 0.00 C ATOM 934 C ASN A 59 62.105 -2.972 3.385 1.00 0.00 C ATOM 935 O ASN A 59 62.881 -3.079 2.456 1.00 0.00 O ATOM 936 CB ASN A 59 62.820 -3.245 5.804 1.00 0.00 C ATOM 937 CG ASN A 59 61.724 -4.311 5.942 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.572 -3.991 6.157 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.039 -5.572 5.826 1.00 0.00 N ATOM 0 H ASN A 59 61.008 -1.719 6.121 1.00 0.00 H new ATOM 0 HA ASN A 59 63.354 -1.628 4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.776 -3.727 5.599 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.929 -2.709 6.747 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.318 -6.288 5.916 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.006 -5.842 5.645 1.00 0.00 H new ATOM 946 N TYR A 60 60.907 -3.477 3.345 1.00 0.00 N ATOM 947 CA TYR A 60 60.431 -4.218 2.136 1.00 0.00 C ATOM 948 C TYR A 60 60.337 -3.293 0.915 1.00 0.00 C ATOM 949 O TYR A 60 60.757 -3.654 -0.169 1.00 0.00 O ATOM 950 CB TYR A 60 59.042 -4.747 2.506 1.00 0.00 C ATOM 951 CG TYR A 60 59.149 -6.182 2.965 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.452 -6.468 4.302 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.945 -7.226 2.055 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.551 -7.798 4.728 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.043 -8.555 2.481 1.00 0.00 C ATOM 956 CZ TYR A 60 59.346 -8.842 3.818 1.00 0.00 C ATOM 957 OH TYR A 60 59.442 -10.152 4.238 1.00 0.00 O ATOM 0 H TYR A 60 60.227 -3.410 4.102 1.00 0.00 H new ATOM 0 HA TYR A 60 61.121 -5.017 1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.607 -4.134 3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.375 -4.679 1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.609 -5.663 5.004 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.712 -7.005 1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.786 -8.019 5.759 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.885 -9.360 1.779 1.00 0.00 H new ATOM 0 HH TYR A 60 59.270 -10.751 3.482 1.00 0.00 H new ATOM 967 N VAL A 61 59.778 -2.116 1.070 1.00 0.00 N ATOM 968 CA VAL A 61 59.650 -1.192 -0.104 1.00 0.00 C ATOM 969 C VAL A 61 60.700 -0.080 -0.065 1.00 0.00 C ATOM 970 O VAL A 61 61.391 0.108 0.917 1.00 0.00 O ATOM 971 CB VAL A 61 58.246 -0.587 -0.022 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.203 -1.695 -0.165 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.056 0.121 1.324 1.00 0.00 C ATOM 0 H VAL A 61 59.408 -1.757 1.950 1.00 0.00 H new ATOM 0 HA VAL A 61 59.807 -1.738 -1.034 1.00 0.00 H new ATOM 0 HB VAL A 61 58.124 0.138 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.204 -1.264 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.329 -2.191 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.332 -2.422 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.054 0.548 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.184 -0.597 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.795 0.916 1.424 1.00 0.00 H new ATOM 983 N THR A 62 60.805 0.662 -1.136 1.00 0.00 N ATOM 984 CA THR A 62 61.786 1.783 -1.195 1.00 0.00 C ATOM 985 C THR A 62 61.159 2.949 -1.986 1.00 0.00 C ATOM 986 O THR A 62 60.007 3.274 -1.781 1.00 0.00 O ATOM 987 CB THR A 62 63.016 1.189 -1.896 1.00 0.00 C ATOM 988 OG1 THR A 62 64.034 2.176 -1.975 1.00 0.00 O ATOM 989 CG2 THR A 62 62.645 0.727 -3.307 1.00 0.00 C ATOM 0 H THR A 62 60.247 0.537 -1.980 1.00 0.00 H new ATOM 0 HA THR A 62 62.062 2.184 -0.220 1.00 0.00 H new ATOM 0 HB THR A 62 63.375 0.333 -1.324 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.821 1.799 -2.421 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.524 0.307 -3.795 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.866 -0.033 -3.248 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.280 1.577 -3.884 1.00 0.00 H new ATOM 997 N GLU A 63 61.886 3.576 -2.882 1.00 0.00 N ATOM 998 CA GLU A 63 61.298 4.701 -3.669 1.00 0.00 C ATOM 999 C GLU A 63 60.679 4.165 -4.962 1.00 0.00 C ATOM 1000 O GLU A 63 61.228 3.290 -5.603 1.00 0.00 O ATOM 1001 CB GLU A 63 62.472 5.632 -3.976 1.00 0.00 C ATOM 1002 CG GLU A 63 62.654 6.623 -2.825 1.00 0.00 C ATOM 1003 CD GLU A 63 64.054 7.233 -2.892 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.995 6.487 -3.108 1.00 0.00 O ATOM 1005 OE2 GLU A 63 64.163 8.437 -2.726 1.00 0.00 O ATOM 0 H GLU A 63 62.858 3.356 -3.100 1.00 0.00 H new ATOM 0 HA GLU A 63 60.507 5.218 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.383 5.051 -4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.290 6.169 -4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.901 7.408 -2.885 1.00 0.00 H new ATOM 0 HG3 GLU A 63 62.512 6.117 -1.870 1.00 0.00 H new ATOM 1012 N ALA A 64 59.536 4.679 -5.344 1.00 0.00 N ATOM 1013 CA ALA A 64 58.862 4.196 -6.594 1.00 0.00 C ATOM 1014 C ALA A 64 59.812 4.289 -7.797 1.00 0.00 C ATOM 1015 O ALA A 64 60.966 4.650 -7.660 1.00 0.00 O ATOM 1016 CB ALA A 64 57.671 5.129 -6.794 1.00 0.00 C ATOM 0 H ALA A 64 59.037 5.415 -4.844 1.00 0.00 H new ATOM 0 HA ALA A 64 58.560 3.152 -6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 64 57.127 4.837 -7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 64 57.008 5.063 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 64 58.026 6.154 -6.901 1.00 0.00 H new ATOM 1022 N GLU A 65 59.330 3.967 -8.970 1.00 0.00 N ATOM 1023 CA GLU A 65 60.196 4.035 -10.190 1.00 0.00 C ATOM 1024 C GLU A 65 60.715 5.462 -10.393 1.00 0.00 C ATOM 1025 O GLU A 65 61.803 5.670 -10.895 1.00 0.00 O ATOM 1026 CB GLU A 65 59.290 3.625 -11.353 1.00 0.00 C ATOM 1027 CG GLU A 65 59.346 2.107 -11.533 1.00 0.00 C ATOM 1028 CD GLU A 65 58.677 1.724 -12.855 1.00 0.00 C ATOM 1029 OE1 GLU A 65 57.499 2.004 -13.003 1.00 0.00 O ATOM 1030 OE2 GLU A 65 59.355 1.158 -13.697 1.00 0.00 O ATOM 0 H GLU A 65 58.372 3.659 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 65 61.068 3.387 -10.108 1.00 0.00 H new ATOM 0 HB2 GLU A 65 58.265 3.941 -11.158 1.00 0.00 H new ATOM 0 HB3 GLU A 65 59.609 4.122 -12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 65 60.382 1.767 -11.526 1.00 0.00 H new ATOM 0 HG3 GLU A 65 58.843 1.613 -10.702 1.00 0.00 H new ATOM 1037 N ASP A 66 59.942 6.448 -10.004 1.00 0.00 N ATOM 1038 CA ASP A 66 60.373 7.877 -10.165 1.00 0.00 C ATOM 1039 C ASP A 66 60.795 8.159 -11.613 1.00 0.00 C ATOM 1040 O ASP A 66 60.426 7.443 -12.526 1.00 0.00 O ATOM 1041 CB ASP A 66 61.562 8.052 -9.215 1.00 0.00 C ATOM 1042 CG ASP A 66 61.516 9.447 -8.590 1.00 0.00 C ATOM 1043 OD1 ASP A 66 60.835 9.605 -7.590 1.00 0.00 O ATOM 1044 OD2 ASP A 66 62.162 10.335 -9.122 1.00 0.00 O ATOM 0 H ASP A 66 59.023 6.325 -9.578 1.00 0.00 H new ATOM 0 HA ASP A 66 59.563 8.570 -9.936 1.00 0.00 H new ATOM 0 HB2 ASP A 66 61.532 7.291 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 66 62.498 7.916 -9.758 1.00 0.00 H new ATOM 1049 N SER A 67 61.564 9.196 -11.824 1.00 0.00 N ATOM 1050 CA SER A 67 62.016 9.533 -13.207 1.00 0.00 C ATOM 1051 C SER A 67 63.469 10.013 -13.187 1.00 0.00 C ATOM 1052 O SER A 67 64.322 9.272 -13.647 1.00 0.00 O ATOM 1053 CB SER A 67 61.087 10.657 -13.663 1.00 0.00 C ATOM 1054 OG SER A 67 61.651 11.301 -14.798 1.00 0.00 O ATOM 1055 OXT SER A 67 63.704 11.112 -12.713 1.00 0.00 O ATOM 0 H SER A 67 61.899 9.826 -11.095 1.00 0.00 H new ATOM 0 HA SER A 67 61.976 8.673 -13.876 1.00 0.00 H new ATOM 0 HB2 SER A 67 60.104 10.255 -13.910 1.00 0.00 H new ATOM 0 HB3 SER A 67 60.944 11.376 -12.856 1.00 0.00 H new ATOM 0 HG SER A 67 61.057 12.022 -15.094 1.00 0.00 H new TER 1061 SER A 67