USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=16 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 Set 1.1: A 23 ASN : amide:sc= -0.218 K(o=-0.22,f=0.34) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= 0 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 157:sc= -0.0662 (180deg=-0.149) USER MOD Single : A 4 SER OG : rot 47:sc= 0.324 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 6 SER OG : rot 180:sc= -0.281 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -165:sc= -0.0184 (180deg=-0.152) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -154:sc= 0.596 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -174:sc= 0 (180deg=-0.0414) USER MOD Single : A 21 ASN : amide:sc= -0.0514 X(o=-0.051,f=-0.39) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 53:sc= -2.47! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.3 X(o=-1.3,f=-0.97) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0793 X(o=-0.079,f=0.4) USER MOD Single : A 52 GLN : amide:sc= -0.748 K(o=-0.75,f=-4.9!) USER MOD Single : A 58 SER OG : rot 160:sc= -1.17 USER MOD Single : A 59 ASN : amide:sc= -2.32 K(o=-2.3,f=-1.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.33 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 43.710 28.097 5.740 1.00 0.00 N ATOM 2 CA GLY A 1 44.677 27.277 4.956 1.00 0.00 C ATOM 3 C GLY A 1 45.159 26.100 5.808 1.00 0.00 C ATOM 4 O GLY A 1 45.972 26.262 6.698 1.00 0.00 O ATOM 0 H1 GLY A 1 43.383 28.896 5.161 1.00 0.00 H new ATOM 0 H2 GLY A 1 42.896 27.509 6.010 1.00 0.00 H new ATOM 0 H3 GLY A 1 44.176 28.458 6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 1 44.204 26.910 4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 1 45.525 27.890 4.650 1.00 0.00 H new ATOM 10 N SER A 2 44.662 24.920 5.539 1.00 0.00 N ATOM 11 CA SER A 2 45.085 23.726 6.328 1.00 0.00 C ATOM 12 C SER A 2 45.426 22.564 5.390 1.00 0.00 C ATOM 13 O SER A 2 45.339 22.686 4.182 1.00 0.00 O ATOM 14 CB SER A 2 43.876 23.375 7.195 1.00 0.00 C ATOM 15 OG SER A 2 44.306 22.608 8.312 1.00 0.00 O ATOM 0 H SER A 2 43.979 24.732 4.805 1.00 0.00 H new ATOM 0 HA SER A 2 45.974 23.922 6.927 1.00 0.00 H new ATOM 0 HB2 SER A 2 43.380 24.285 7.533 1.00 0.00 H new ATOM 0 HB3 SER A 2 43.147 22.812 6.612 1.00 0.00 H new ATOM 0 HG SER A 2 43.533 22.383 8.871 1.00 0.00 H new ATOM 21 N MET A 3 45.815 21.437 5.939 1.00 0.00 N ATOM 22 CA MET A 3 46.169 20.250 5.092 1.00 0.00 C ATOM 23 C MET A 3 47.207 20.630 4.028 1.00 0.00 C ATOM 24 O MET A 3 46.900 20.726 2.854 1.00 0.00 O ATOM 25 CB MET A 3 44.856 19.814 4.432 1.00 0.00 C ATOM 26 CG MET A 3 45.027 18.421 3.824 1.00 0.00 C ATOM 27 SD MET A 3 44.719 17.167 5.092 1.00 0.00 S ATOM 28 CE MET A 3 46.402 16.510 5.177 1.00 0.00 C ATOM 0 H MET A 3 45.903 21.287 6.944 1.00 0.00 H new ATOM 0 HA MET A 3 46.610 19.450 5.686 1.00 0.00 H new ATOM 0 HB2 MET A 3 44.052 19.805 5.168 1.00 0.00 H new ATOM 0 HB3 MET A 3 44.571 20.527 3.659 1.00 0.00 H new ATOM 0 HG2 MET A 3 44.336 18.289 2.991 1.00 0.00 H new ATOM 0 HG3 MET A 3 46.034 18.309 3.423 1.00 0.00 H new ATOM 0 HE1 MET A 3 46.556 16.028 6.142 1.00 0.00 H new ATOM 0 HE2 MET A 3 46.549 15.781 4.380 1.00 0.00 H new ATOM 0 HE3 MET A 3 47.117 17.324 5.060 1.00 0.00 H new ATOM 38 N SER A 4 48.432 20.847 4.435 1.00 0.00 N ATOM 39 CA SER A 4 49.498 21.220 3.458 1.00 0.00 C ATOM 40 C SER A 4 50.294 19.980 3.044 1.00 0.00 C ATOM 41 O SER A 4 51.117 19.484 3.790 1.00 0.00 O ATOM 42 CB SER A 4 50.393 22.206 4.207 1.00 0.00 C ATOM 43 OG SER A 4 50.639 21.715 5.517 1.00 0.00 O ATOM 0 H SER A 4 48.740 20.782 5.405 1.00 0.00 H new ATOM 0 HA SER A 4 49.089 21.653 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 4 51.334 22.338 3.673 1.00 0.00 H new ATOM 0 HB3 SER A 4 49.914 23.184 4.257 1.00 0.00 H new ATOM 0 HG SER A 4 50.881 20.766 5.471 1.00 0.00 H new ATOM 49 N THR A 5 50.052 19.478 1.860 1.00 0.00 N ATOM 50 CA THR A 5 50.791 18.268 1.388 1.00 0.00 C ATOM 51 C THR A 5 52.161 18.668 0.834 1.00 0.00 C ATOM 52 O THR A 5 52.335 19.750 0.308 1.00 0.00 O ATOM 53 CB THR A 5 49.917 17.675 0.280 1.00 0.00 C ATOM 54 OG1 THR A 5 49.423 18.723 -0.543 1.00 0.00 O ATOM 55 CG2 THR A 5 48.745 16.916 0.903 1.00 0.00 C ATOM 0 H THR A 5 49.373 19.855 1.198 1.00 0.00 H new ATOM 0 HA THR A 5 50.969 17.554 2.192 1.00 0.00 H new ATOM 0 HB THR A 5 50.511 16.988 -0.323 1.00 0.00 H new ATOM 0 HG1 THR A 5 48.865 18.345 -1.254 1.00 0.00 H new ATOM 0 HG21 THR A 5 48.124 16.494 0.113 1.00 0.00 H new ATOM 0 HG22 THR A 5 49.126 16.112 1.533 1.00 0.00 H new ATOM 0 HG23 THR A 5 48.149 17.600 1.508 1.00 0.00 H new ATOM 63 N SER A 6 53.133 17.799 0.952 1.00 0.00 N ATOM 64 CA SER A 6 54.498 18.118 0.437 1.00 0.00 C ATOM 65 C SER A 6 55.365 16.858 0.416 1.00 0.00 C ATOM 66 O SER A 6 56.108 16.619 -0.517 1.00 0.00 O ATOM 67 CB SER A 6 55.064 19.143 1.418 1.00 0.00 C ATOM 68 OG SER A 6 55.412 18.488 2.632 1.00 0.00 O ATOM 0 H SER A 6 53.039 16.880 1.384 1.00 0.00 H new ATOM 0 HA SER A 6 54.474 18.502 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A 6 55.940 19.629 0.989 1.00 0.00 H new ATOM 0 HB3 SER A 6 54.329 19.924 1.610 1.00 0.00 H new ATOM 0 HG SER A 6 55.777 19.142 3.264 1.00 0.00 H new ATOM 74 N GLU A 7 55.273 16.054 1.442 1.00 0.00 N ATOM 75 CA GLU A 7 56.087 14.803 1.498 1.00 0.00 C ATOM 76 C GLU A 7 55.228 13.595 1.114 1.00 0.00 C ATOM 77 O GLU A 7 55.251 12.574 1.774 1.00 0.00 O ATOM 78 CB GLU A 7 56.547 14.695 2.953 1.00 0.00 C ATOM 79 CG GLU A 7 57.881 15.424 3.122 1.00 0.00 C ATOM 80 CD GLU A 7 58.273 15.437 4.600 1.00 0.00 C ATOM 81 OE1 GLU A 7 58.084 14.422 5.252 1.00 0.00 O ATOM 82 OE2 GLU A 7 58.754 16.461 5.057 1.00 0.00 O ATOM 0 H GLU A 7 54.667 16.210 2.247 1.00 0.00 H new ATOM 0 HA GLU A 7 56.928 14.826 0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 7 55.797 15.128 3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 7 56.655 13.648 3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 7 58.654 14.930 2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 7 57.800 16.444 2.748 1.00 0.00 H new ATOM 89 N LEU A 8 54.476 13.708 0.050 1.00 0.00 N ATOM 90 CA LEU A 8 53.614 12.571 -0.390 1.00 0.00 C ATOM 91 C LEU A 8 54.137 11.994 -1.708 1.00 0.00 C ATOM 92 O LEU A 8 54.473 12.724 -2.622 1.00 0.00 O ATOM 93 CB LEU A 8 52.223 13.178 -0.583 1.00 0.00 C ATOM 94 CG LEU A 8 51.161 12.180 -0.120 1.00 0.00 C ATOM 95 CD1 LEU A 8 49.858 12.923 0.178 1.00 0.00 C ATOM 96 CD2 LEU A 8 50.918 11.147 -1.222 1.00 0.00 C ATOM 0 H LEU A 8 54.422 14.542 -0.535 1.00 0.00 H new ATOM 0 HA LEU A 8 53.604 11.755 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 8 52.138 14.105 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 8 52.067 13.430 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 8 51.506 11.675 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 8 49.101 12.212 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 8 50.030 13.660 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 8 49.513 13.428 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 8 50.161 10.435 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 8 50.573 11.652 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 8 51.846 10.617 -1.435 1.00 0.00 H new ATOM 108 N LYS A 9 54.210 10.691 -1.810 1.00 0.00 N ATOM 109 CA LYS A 9 54.715 10.060 -3.066 1.00 0.00 C ATOM 110 C LYS A 9 54.431 8.555 -3.059 1.00 0.00 C ATOM 111 O LYS A 9 53.557 8.081 -2.360 1.00 0.00 O ATOM 112 CB LYS A 9 56.224 10.325 -3.059 1.00 0.00 C ATOM 113 CG LYS A 9 56.690 10.683 -4.471 1.00 0.00 C ATOM 114 CD LYS A 9 58.187 10.393 -4.604 1.00 0.00 C ATOM 115 CE LYS A 9 58.388 8.980 -5.153 1.00 0.00 C ATOM 116 NZ LYS A 9 59.574 9.081 -6.049 1.00 0.00 N ATOM 0 H LYS A 9 53.941 10.036 -1.076 1.00 0.00 H new ATOM 0 HA LYS A 9 54.232 10.465 -3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 9 56.457 11.138 -2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 9 56.756 9.443 -2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 9 56.130 10.106 -5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 9 56.493 11.736 -4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 9 58.651 11.122 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 9 58.674 10.490 -3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 9 58.560 8.265 -4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 9 57.508 8.640 -5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 59.775 8.149 -6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 59.378 9.764 -6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 60.398 9.400 -5.500 1.00 0.00 H new ATOM 130 N LYS A 10 55.170 7.807 -3.835 1.00 0.00 N ATOM 131 CA LYS A 10 54.960 6.323 -3.888 1.00 0.00 C ATOM 132 C LYS A 10 56.248 5.593 -3.476 1.00 0.00 C ATOM 133 O LYS A 10 57.180 6.201 -2.988 1.00 0.00 O ATOM 134 CB LYS A 10 54.561 5.972 -5.342 1.00 0.00 C ATOM 135 CG LYS A 10 55.318 6.826 -6.367 1.00 0.00 C ATOM 136 CD LYS A 10 54.507 8.084 -6.685 1.00 0.00 C ATOM 137 CE LYS A 10 54.793 8.526 -8.122 1.00 0.00 C ATOM 138 NZ LYS A 10 56.194 9.032 -8.096 1.00 0.00 N ATOM 0 H LYS A 10 55.914 8.158 -4.438 1.00 0.00 H new ATOM 0 HA LYS A 10 54.177 6.010 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.763 4.917 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.488 6.119 -5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.297 7.102 -5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 10 55.490 6.252 -7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.443 7.885 -6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 10 54.766 8.882 -5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.686 7.695 -8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 10 54.098 9.303 -8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 56.381 9.580 -8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 56.328 9.641 -7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 56.852 8.229 -8.046 1.00 0.00 H new ATOM 152 N VAL A 11 56.301 4.295 -3.665 1.00 0.00 N ATOM 153 CA VAL A 11 57.525 3.517 -3.278 1.00 0.00 C ATOM 154 C VAL A 11 57.595 2.221 -4.076 1.00 0.00 C ATOM 155 O VAL A 11 56.618 1.781 -4.644 1.00 0.00 O ATOM 156 CB VAL A 11 57.409 3.201 -1.778 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.751 4.451 -0.968 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.996 2.720 -1.431 1.00 0.00 C ATOM 0 H VAL A 11 55.549 3.739 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 11 58.428 4.092 -3.485 1.00 0.00 H new ATOM 0 HB VAL A 11 58.109 2.403 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.669 4.229 0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.770 4.765 -1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.058 5.252 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.937 2.502 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.275 3.498 -1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.769 1.817 -1.998 1.00 0.00 H new ATOM 168 N VAL A 12 58.747 1.611 -4.117 1.00 0.00 N ATOM 169 CA VAL A 12 58.905 0.340 -4.882 1.00 0.00 C ATOM 170 C VAL A 12 58.828 -0.850 -3.900 1.00 0.00 C ATOM 171 O VAL A 12 58.708 -0.667 -2.706 1.00 0.00 O ATOM 172 CB VAL A 12 60.303 0.506 -5.544 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.146 -0.778 -5.530 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.121 0.947 -6.993 1.00 0.00 C ATOM 0 H VAL A 12 59.592 1.940 -3.650 1.00 0.00 H new ATOM 0 HA VAL A 12 58.136 0.145 -5.630 1.00 0.00 H new ATOM 0 HB VAL A 12 60.838 1.252 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.107 -0.588 -6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.309 -1.095 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.621 -1.564 -6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.097 1.065 -7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.547 0.194 -7.533 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.588 1.897 -7.020 1.00 0.00 H new ATOM 184 N ALA A 13 58.920 -2.057 -4.400 1.00 0.00 N ATOM 185 CA ALA A 13 58.880 -3.255 -3.509 1.00 0.00 C ATOM 186 C ALA A 13 60.144 -4.094 -3.723 1.00 0.00 C ATOM 187 O ALA A 13 60.614 -4.244 -4.836 1.00 0.00 O ATOM 188 CB ALA A 13 57.642 -4.038 -3.940 1.00 0.00 C ATOM 0 H ALA A 13 59.022 -2.264 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 13 58.838 -2.987 -2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.547 -4.935 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.756 -3.416 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.738 -4.323 -4.988 1.00 0.00 H new ATOM 194 N LEU A 14 60.699 -4.633 -2.668 1.00 0.00 N ATOM 195 CA LEU A 14 61.938 -5.457 -2.810 1.00 0.00 C ATOM 196 C LEU A 14 61.592 -6.947 -2.836 1.00 0.00 C ATOM 197 O LEU A 14 61.682 -7.592 -3.862 1.00 0.00 O ATOM 198 CB LEU A 14 62.785 -5.118 -1.583 1.00 0.00 C ATOM 199 CG LEU A 14 63.216 -3.651 -1.655 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.602 -3.157 -0.259 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.417 -3.522 -2.596 1.00 0.00 C ATOM 0 H LEU A 14 60.348 -4.539 -1.715 1.00 0.00 H new ATOM 0 HA LEU A 14 62.467 -5.245 -3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.214 -5.297 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.661 -5.765 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 14 62.390 -3.048 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.908 -2.112 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.746 -3.249 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.427 -3.757 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.727 -2.478 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.242 -4.126 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 14 64.139 -3.869 -3.591 1.00 0.00 H new ATOM 213 N TYR A 15 61.204 -7.494 -1.715 1.00 0.00 N ATOM 214 CA TYR A 15 60.855 -8.947 -1.668 1.00 0.00 C ATOM 215 C TYR A 15 59.335 -9.130 -1.679 1.00 0.00 C ATOM 216 O TYR A 15 58.585 -8.175 -1.602 1.00 0.00 O ATOM 217 CB TYR A 15 61.444 -9.460 -0.353 1.00 0.00 C ATOM 218 CG TYR A 15 62.944 -9.283 -0.364 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.755 -10.234 -0.995 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.523 -8.170 0.256 1.00 0.00 C ATOM 221 CE1 TYR A 15 65.146 -10.071 -1.006 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.913 -8.006 0.244 1.00 0.00 C ATOM 223 CZ TYR A 15 65.725 -8.957 -0.386 1.00 0.00 C ATOM 224 OH TYR A 15 67.095 -8.796 -0.395 1.00 0.00 O ATOM 0 H TYR A 15 61.113 -6.998 -0.828 1.00 0.00 H new ATOM 0 HA TYR A 15 61.247 -9.489 -2.529 1.00 0.00 H new ATOM 0 HB2 TYR A 15 61.010 -8.918 0.487 1.00 0.00 H new ATOM 0 HB3 TYR A 15 61.193 -10.512 -0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 15 63.308 -11.093 -1.473 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.897 -7.437 0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.772 -10.804 -1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.359 -7.146 0.721 1.00 0.00 H new ATOM 0 HH TYR A 15 67.330 -7.971 0.078 1.00 0.00 H new ATOM 234 N ASP A 16 58.881 -10.352 -1.774 1.00 0.00 N ATOM 235 CA ASP A 16 57.410 -10.614 -1.792 1.00 0.00 C ATOM 236 C ASP A 16 56.853 -10.599 -0.366 1.00 0.00 C ATOM 237 O ASP A 16 57.538 -10.938 0.580 1.00 0.00 O ATOM 238 CB ASP A 16 57.261 -12.005 -2.411 1.00 0.00 C ATOM 239 CG ASP A 16 57.460 -11.915 -3.925 1.00 0.00 C ATOM 240 OD1 ASP A 16 56.786 -11.109 -4.544 1.00 0.00 O ATOM 241 OD2 ASP A 16 58.284 -12.654 -4.440 1.00 0.00 O ATOM 0 H ASP A 16 59.468 -11.184 -1.840 1.00 0.00 H new ATOM 0 HA ASP A 16 56.863 -9.857 -2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.992 -12.688 -1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.274 -12.410 -2.187 1.00 0.00 H new ATOM 246 N TYR A 17 55.614 -10.203 -0.208 1.00 0.00 N ATOM 247 CA TYR A 17 55.004 -10.159 1.152 1.00 0.00 C ATOM 248 C TYR A 17 53.474 -10.150 1.029 1.00 0.00 C ATOM 249 O TYR A 17 52.831 -9.135 1.227 1.00 0.00 O ATOM 250 CB TYR A 17 55.540 -8.854 1.765 1.00 0.00 C ATOM 251 CG TYR A 17 54.831 -8.535 3.065 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.665 -9.523 4.044 1.00 0.00 C ATOM 253 CD2 TYR A 17 54.338 -7.244 3.285 1.00 0.00 C ATOM 254 CE1 TYR A 17 54.006 -9.219 5.240 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.681 -6.939 4.482 1.00 0.00 C ATOM 256 CZ TYR A 17 53.514 -7.927 5.460 1.00 0.00 C ATOM 257 OH TYR A 17 52.866 -7.628 6.640 1.00 0.00 O ATOM 0 H TYR A 17 54.999 -9.908 -0.966 1.00 0.00 H new ATOM 0 HA TYR A 17 55.254 -11.020 1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.611 -8.945 1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.403 -8.034 1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.046 -10.520 3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 17 54.465 -6.482 2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.877 -9.981 5.994 1.00 0.00 H new ATOM 0 HE2 TYR A 17 53.303 -5.942 4.652 1.00 0.00 H new ATOM 0 HH TYR A 17 52.249 -6.881 6.494 1.00 0.00 H new ATOM 267 N MET A 18 52.895 -11.277 0.702 1.00 0.00 N ATOM 268 CA MET A 18 51.409 -11.351 0.560 1.00 0.00 C ATOM 269 C MET A 18 50.725 -10.991 1.890 1.00 0.00 C ATOM 270 O MET A 18 51.373 -10.955 2.916 1.00 0.00 O ATOM 271 CB MET A 18 51.110 -12.804 0.180 1.00 0.00 C ATOM 272 CG MET A 18 51.334 -12.996 -1.321 1.00 0.00 C ATOM 273 SD MET A 18 51.584 -14.754 -1.674 1.00 0.00 S ATOM 274 CE MET A 18 49.837 -15.206 -1.814 1.00 0.00 C ATOM 0 H MET A 18 53.389 -12.152 0.527 1.00 0.00 H new ATOM 0 HA MET A 18 51.036 -10.651 -0.188 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.755 -13.478 0.744 1.00 0.00 H new ATOM 0 HB3 MET A 18 50.082 -13.055 0.440 1.00 0.00 H new ATOM 0 HG2 MET A 18 50.476 -12.621 -1.879 1.00 0.00 H new ATOM 0 HG3 MET A 18 52.201 -12.422 -1.646 1.00 0.00 H new ATOM 0 HE1 MET A 18 49.753 -16.270 -2.034 1.00 0.00 H new ATOM 0 HE2 MET A 18 49.328 -14.988 -0.875 1.00 0.00 H new ATOM 0 HE3 MET A 18 49.376 -14.632 -2.618 1.00 0.00 H new ATOM 284 N PRO A 19 49.430 -10.724 1.838 1.00 0.00 N ATOM 285 CA PRO A 19 48.687 -10.356 3.067 1.00 0.00 C ATOM 286 C PRO A 19 48.565 -11.560 4.007 1.00 0.00 C ATOM 287 O PRO A 19 48.793 -12.689 3.617 1.00 0.00 O ATOM 288 CB PRO A 19 47.315 -9.943 2.517 1.00 0.00 C ATOM 289 CG PRO A 19 47.333 -10.097 0.984 1.00 0.00 C ATOM 290 CD PRO A 19 48.643 -10.766 0.577 1.00 0.00 C ATOM 0 HA PRO A 19 49.170 -9.574 3.654 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.531 -10.564 2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 19 47.092 -8.912 2.791 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.484 -10.696 0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.241 -9.122 0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.487 -11.787 0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.140 -10.228 -0.230 1.00 0.00 H new ATOM 298 N MET A 20 48.200 -11.321 5.241 1.00 0.00 N ATOM 299 CA MET A 20 48.052 -12.442 6.217 1.00 0.00 C ATOM 300 C MET A 20 46.576 -12.632 6.567 1.00 0.00 C ATOM 301 O MET A 20 46.026 -13.707 6.424 1.00 0.00 O ATOM 302 CB MET A 20 48.841 -12.006 7.453 1.00 0.00 C ATOM 303 CG MET A 20 50.307 -11.782 7.076 1.00 0.00 C ATOM 304 SD MET A 20 51.365 -12.162 8.496 1.00 0.00 S ATOM 305 CE MET A 20 50.959 -10.699 9.481 1.00 0.00 C ATOM 0 H MET A 20 47.997 -10.394 5.615 1.00 0.00 H new ATOM 0 HA MET A 20 48.416 -13.389 5.819 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.417 -11.089 7.863 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.767 -12.767 8.230 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.576 -12.414 6.230 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.459 -10.749 6.763 1.00 0.00 H new ATOM 0 HE1 MET A 20 51.589 -10.672 10.370 1.00 0.00 H new ATOM 0 HE2 MET A 20 51.131 -9.801 8.887 1.00 0.00 H new ATOM 0 HE3 MET A 20 49.912 -10.741 9.780 1.00 0.00 H new ATOM 315 N ASN A 21 45.935 -11.587 7.022 1.00 0.00 N ATOM 316 CA ASN A 21 44.490 -11.684 7.385 1.00 0.00 C ATOM 317 C ASN A 21 43.655 -10.793 6.464 1.00 0.00 C ATOM 318 O ASN A 21 42.780 -11.260 5.758 1.00 0.00 O ATOM 319 CB ASN A 21 44.409 -11.190 8.829 1.00 0.00 C ATOM 320 CG ASN A 21 44.635 -12.363 9.785 1.00 0.00 C ATOM 321 OD1 ASN A 21 44.016 -13.399 9.649 1.00 0.00 O ATOM 322 ND2 ASN A 21 45.502 -12.242 10.753 1.00 0.00 N ATOM 0 H ASN A 21 46.352 -10.666 7.158 1.00 0.00 H new ATOM 0 HA ASN A 21 44.105 -12.698 7.281 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.158 -10.417 9.002 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.435 -10.738 9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 21 45.660 -13.018 11.396 1.00 0.00 H new ATOM 0 HD22 ASN A 21 46.021 -11.372 10.867 1.00 0.00 H new ATOM 329 N ALA A 22 43.923 -9.516 6.471 1.00 0.00 N ATOM 330 CA ALA A 22 43.155 -8.575 5.600 1.00 0.00 C ATOM 331 C ALA A 22 43.825 -7.198 5.584 1.00 0.00 C ATOM 332 O ALA A 22 43.913 -6.553 4.557 1.00 0.00 O ATOM 333 CB ALA A 22 41.766 -8.486 6.233 1.00 0.00 C ATOM 0 H ALA A 22 44.644 -9.080 7.045 1.00 0.00 H new ATOM 0 HA ALA A 22 43.110 -8.918 4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.142 -7.811 5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.311 -9.476 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.854 -8.108 7.251 1.00 0.00 H new ATOM 339 N ASN A 23 44.295 -6.750 6.718 1.00 0.00 N ATOM 340 CA ASN A 23 44.964 -5.413 6.785 1.00 0.00 C ATOM 341 C ASN A 23 46.175 -5.356 5.874 1.00 0.00 C ATOM 342 O ASN A 23 46.286 -4.501 5.021 1.00 0.00 O ATOM 343 CB ASN A 23 45.444 -5.262 8.221 1.00 0.00 C ATOM 344 CG ASN A 23 44.378 -4.548 9.054 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.679 -3.627 9.786 1.00 0.00 O ATOM 346 ND2 ASN A 23 43.135 -4.938 8.972 1.00 0.00 N ATOM 0 H ASN A 23 44.245 -7.252 7.604 1.00 0.00 H new ATOM 0 HA ASN A 23 44.273 -4.629 6.476 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.655 -6.242 8.648 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.376 -4.697 8.245 1.00 0.00 H new ATOM 0 HD21 ASN A 23 42.416 -4.469 9.523 1.00 0.00 H new ATOM 0 HD22 ASN A 23 42.883 -5.712 8.357 1.00 0.00 H new ATOM 353 N ASP A 24 47.108 -6.238 6.100 1.00 0.00 N ATOM 354 CA ASP A 24 48.377 -6.246 5.314 1.00 0.00 C ATOM 355 C ASP A 24 48.140 -6.038 3.808 1.00 0.00 C ATOM 356 O ASP A 24 47.142 -6.463 3.259 1.00 0.00 O ATOM 357 CB ASP A 24 48.998 -7.618 5.574 1.00 0.00 C ATOM 358 CG ASP A 24 50.461 -7.607 5.130 1.00 0.00 C ATOM 359 OD1 ASP A 24 51.089 -6.570 5.257 1.00 0.00 O ATOM 360 OD2 ASP A 24 50.928 -8.636 4.669 1.00 0.00 O ATOM 0 H ASP A 24 47.045 -6.968 6.809 1.00 0.00 H new ATOM 0 HA ASP A 24 49.025 -5.425 5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.930 -7.865 6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 24 48.448 -8.387 5.032 1.00 0.00 H new ATOM 365 N LEU A 25 49.062 -5.380 3.149 1.00 0.00 N ATOM 366 CA LEU A 25 48.916 -5.124 1.686 1.00 0.00 C ATOM 367 C LEU A 25 49.731 -6.151 0.895 1.00 0.00 C ATOM 368 O LEU A 25 50.893 -6.378 1.176 1.00 0.00 O ATOM 369 CB LEU A 25 49.472 -3.710 1.476 1.00 0.00 C ATOM 370 CG LEU A 25 49.202 -3.258 0.034 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.711 -2.945 -0.141 1.00 0.00 C ATOM 372 CD2 LEU A 25 50.017 -1.999 -0.275 1.00 0.00 C ATOM 0 H LEU A 25 49.915 -5.007 3.567 1.00 0.00 H new ATOM 0 HA LEU A 25 47.884 -5.207 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.007 -3.018 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.543 -3.696 1.677 1.00 0.00 H new ATOM 0 HG LEU A 25 49.491 -4.058 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.524 -2.625 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 25 47.124 -3.838 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.423 -2.149 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.822 -1.682 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.731 -1.203 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 25 51.079 -2.215 -0.158 1.00 0.00 H new ATOM 384 N GLN A 26 49.131 -6.773 -0.085 1.00 0.00 N ATOM 385 CA GLN A 26 49.868 -7.793 -0.897 1.00 0.00 C ATOM 386 C GLN A 26 51.020 -7.136 -1.662 1.00 0.00 C ATOM 387 O GLN A 26 50.870 -6.719 -2.795 1.00 0.00 O ATOM 388 CB GLN A 26 48.832 -8.381 -1.864 1.00 0.00 C ATOM 389 CG GLN A 26 48.208 -7.266 -2.718 1.00 0.00 C ATOM 390 CD GLN A 26 46.699 -7.493 -2.843 1.00 0.00 C ATOM 391 OE1 GLN A 26 45.913 -6.666 -2.429 1.00 0.00 O ATOM 392 NE2 GLN A 26 46.261 -8.589 -3.401 1.00 0.00 N ATOM 0 H GLN A 26 48.161 -6.620 -0.361 1.00 0.00 H new ATOM 0 HA GLN A 26 50.310 -8.568 -0.271 1.00 0.00 H new ATOM 0 HB2 GLN A 26 49.305 -9.121 -2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.053 -8.898 -1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 26 48.403 -6.295 -2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.666 -7.253 -3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.922 -9.284 -3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.258 -8.751 -3.489 1.00 0.00 H new ATOM 401 N LEU A 27 52.172 -7.055 -1.049 1.00 0.00 N ATOM 402 CA LEU A 27 53.343 -6.439 -1.733 1.00 0.00 C ATOM 403 C LEU A 27 53.970 -7.455 -2.696 1.00 0.00 C ATOM 404 O LEU A 27 53.394 -8.490 -2.975 1.00 0.00 O ATOM 405 CB LEU A 27 54.312 -6.065 -0.605 1.00 0.00 C ATOM 406 CG LEU A 27 54.016 -4.636 -0.123 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.299 -4.683 1.235 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.328 -3.859 0.020 1.00 0.00 C ATOM 0 H LEU A 27 52.351 -7.390 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 27 53.076 -5.566 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.211 -6.767 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.341 -6.135 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 27 53.376 -4.138 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 27 53.091 -3.667 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.362 -5.230 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.934 -5.185 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 27 55.116 -2.846 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.970 -4.359 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.833 -3.818 -0.945 1.00 0.00 H new ATOM 420 N ARG A 28 55.135 -7.162 -3.215 1.00 0.00 N ATOM 421 CA ARG A 28 55.794 -8.102 -4.173 1.00 0.00 C ATOM 422 C ARG A 28 57.243 -7.674 -4.422 1.00 0.00 C ATOM 423 O ARG A 28 57.829 -6.951 -3.638 1.00 0.00 O ATOM 424 CB ARG A 28 54.977 -7.989 -5.463 1.00 0.00 C ATOM 425 CG ARG A 28 54.854 -9.368 -6.113 1.00 0.00 C ATOM 426 CD ARG A 28 53.499 -9.482 -6.815 1.00 0.00 C ATOM 427 NE ARG A 28 53.568 -10.760 -7.578 1.00 0.00 N ATOM 428 CZ ARG A 28 52.473 -11.412 -7.857 1.00 0.00 C ATOM 429 NH1 ARG A 28 51.596 -10.895 -8.675 1.00 0.00 N ATOM 430 NH2 ARG A 28 52.255 -12.581 -7.320 1.00 0.00 N ATOM 0 H ARG A 28 55.660 -6.310 -3.016 1.00 0.00 H new ATOM 0 HA ARG A 28 55.823 -9.124 -3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.987 -7.589 -5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.458 -7.293 -6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.661 -9.517 -6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.951 -10.148 -5.358 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.681 -9.496 -6.095 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.325 -8.635 -7.478 1.00 0.00 H new ATOM 0 HE ARG A 28 54.471 -11.125 -7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 28 51.767 -9.982 -9.096 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.740 -11.405 -8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 28 52.941 -12.985 -6.682 1.00 0.00 H new ATOM 0 HH22 ARG A 28 51.399 -13.091 -7.538 1.00 0.00 H new ATOM 444 N LYS A 29 57.821 -8.118 -5.508 1.00 0.00 N ATOM 445 CA LYS A 29 59.226 -7.748 -5.822 1.00 0.00 C ATOM 446 C LYS A 29 59.291 -6.987 -7.148 1.00 0.00 C ATOM 447 O LYS A 29 58.926 -7.499 -8.190 1.00 0.00 O ATOM 448 CB LYS A 29 59.978 -9.083 -5.907 1.00 0.00 C ATOM 449 CG LYS A 29 61.449 -8.844 -6.288 1.00 0.00 C ATOM 450 CD LYS A 29 61.819 -9.701 -7.502 1.00 0.00 C ATOM 451 CE LYS A 29 63.184 -9.264 -8.039 1.00 0.00 C ATOM 452 NZ LYS A 29 63.873 -10.530 -8.413 1.00 0.00 N ATOM 0 H LYS A 29 57.373 -8.726 -6.194 1.00 0.00 H new ATOM 0 HA LYS A 29 59.663 -7.090 -5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.923 -9.601 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.504 -9.729 -6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.608 -7.790 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.096 -9.091 -5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.847 -10.754 -7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.061 -9.597 -8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 29 63.077 -8.604 -8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 29 63.748 -8.715 -7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 64.817 -10.313 -8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.967 -11.136 -7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.317 -11.027 -9.137 1.00 0.00 H new ATOM 466 N GLY A 30 59.750 -5.761 -7.107 1.00 0.00 N ATOM 467 CA GLY A 30 59.839 -4.944 -8.352 1.00 0.00 C ATOM 468 C GLY A 30 58.570 -4.101 -8.510 1.00 0.00 C ATOM 469 O GLY A 30 58.570 -3.102 -9.206 1.00 0.00 O ATOM 0 H GLY A 30 60.068 -5.290 -6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.715 -4.296 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.964 -5.595 -9.217 1.00 0.00 H new ATOM 473 N ASP A 31 57.492 -4.487 -7.867 1.00 0.00 N ATOM 474 CA ASP A 31 56.232 -3.699 -7.980 1.00 0.00 C ATOM 475 C ASP A 31 56.313 -2.473 -7.073 1.00 0.00 C ATOM 476 O ASP A 31 57.030 -2.471 -6.095 1.00 0.00 O ATOM 477 CB ASP A 31 55.121 -4.643 -7.515 1.00 0.00 C ATOM 478 CG ASP A 31 54.848 -5.686 -8.600 1.00 0.00 C ATOM 479 OD1 ASP A 31 55.804 -6.253 -9.103 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.687 -5.898 -8.910 1.00 0.00 O ATOM 0 H ASP A 31 57.435 -5.313 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 31 56.052 -3.342 -8.994 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.413 -5.136 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.214 -4.077 -7.303 1.00 0.00 H new ATOM 485 N GLU A 32 55.589 -1.430 -7.386 1.00 0.00 N ATOM 486 CA GLU A 32 55.635 -0.202 -6.528 1.00 0.00 C ATOM 487 C GLU A 32 54.224 0.102 -6.019 1.00 0.00 C ATOM 488 O GLU A 32 53.259 -0.462 -6.500 1.00 0.00 O ATOM 489 CB GLU A 32 56.164 0.930 -7.426 1.00 0.00 C ATOM 490 CG GLU A 32 57.374 0.459 -8.245 1.00 0.00 C ATOM 491 CD GLU A 32 56.895 -0.091 -9.591 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.928 0.438 -10.114 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.505 -1.029 -10.076 1.00 0.00 O ATOM 0 H GLU A 32 54.970 -1.372 -8.194 1.00 0.00 H new ATOM 0 HA GLU A 32 56.279 -0.324 -5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.374 1.266 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.446 1.785 -6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.064 1.287 -8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.919 -0.311 -7.699 1.00 0.00 H new ATOM 500 N TYR A 33 54.092 0.950 -5.025 1.00 0.00 N ATOM 501 CA TYR A 33 52.733 1.232 -4.469 1.00 0.00 C ATOM 502 C TYR A 33 52.490 2.732 -4.293 1.00 0.00 C ATOM 503 O TYR A 33 53.280 3.561 -4.697 1.00 0.00 O ATOM 504 CB TYR A 33 52.711 0.564 -3.091 1.00 0.00 C ATOM 505 CG TYR A 33 53.323 -0.821 -3.143 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.681 -1.846 -3.845 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.538 -1.067 -2.496 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.254 -3.119 -3.901 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.111 -2.340 -2.550 1.00 0.00 C ATOM 510 CZ TYR A 33 54.469 -3.365 -3.252 1.00 0.00 C ATOM 511 OH TYR A 33 55.037 -4.616 -3.310 1.00 0.00 O ATOM 0 H TYR A 33 54.859 1.453 -4.580 1.00 0.00 H new ATOM 0 HA TYR A 33 51.962 0.859 -5.143 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.258 1.180 -2.377 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.684 0.497 -2.733 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.743 -1.654 -4.344 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.033 -0.274 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.760 -3.911 -4.444 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.049 -2.532 -2.050 1.00 0.00 H new ATOM 0 HH TYR A 33 55.112 -4.898 -4.245 1.00 0.00 H new ATOM 521 N PHE A 34 51.395 3.065 -3.660 1.00 0.00 N ATOM 522 CA PHE A 34 51.055 4.497 -3.407 1.00 0.00 C ATOM 523 C PHE A 34 51.035 4.763 -1.906 1.00 0.00 C ATOM 524 O PHE A 34 50.300 4.134 -1.172 1.00 0.00 O ATOM 525 CB PHE A 34 49.660 4.690 -3.985 1.00 0.00 C ATOM 526 CG PHE A 34 49.762 5.132 -5.426 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.078 6.461 -5.730 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.540 4.211 -6.457 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.172 6.870 -7.066 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.633 4.620 -7.793 1.00 0.00 C ATOM 531 CZ PHE A 34 49.950 5.949 -8.097 1.00 0.00 C ATOM 0 H PHE A 34 50.713 2.396 -3.303 1.00 0.00 H new ATOM 0 HA PHE A 34 51.780 5.176 -3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.097 3.759 -3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.115 5.434 -3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.249 7.171 -4.934 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.297 3.185 -6.222 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.416 7.896 -7.301 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.460 3.910 -8.589 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.023 6.264 -9.127 1.00 0.00 H new ATOM 541 N ILE A 35 51.844 5.681 -1.450 1.00 0.00 N ATOM 542 CA ILE A 35 51.904 5.978 0.016 1.00 0.00 C ATOM 543 C ILE A 35 50.945 7.098 0.421 1.00 0.00 C ATOM 544 O ILE A 35 50.978 8.193 -0.107 1.00 0.00 O ATOM 545 CB ILE A 35 53.355 6.405 0.285 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.327 5.308 -0.179 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.557 6.662 1.786 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.032 3.987 0.546 1.00 0.00 C ATOM 0 H ILE A 35 52.469 6.241 -2.029 1.00 0.00 H new ATOM 0 HA ILE A 35 51.606 5.105 0.596 1.00 0.00 H new ATOM 0 HB ILE A 35 53.556 7.321 -0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.238 5.166 -1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.354 5.616 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.588 6.964 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.884 7.454 2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.343 5.750 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.729 3.222 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.145 4.129 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.012 3.672 0.327 1.00 0.00 H new ATOM 560 N LEU A 36 50.128 6.826 1.400 1.00 0.00 N ATOM 561 CA LEU A 36 49.184 7.854 1.923 1.00 0.00 C ATOM 562 C LEU A 36 49.718 8.352 3.273 1.00 0.00 C ATOM 563 O LEU A 36 49.568 9.502 3.636 1.00 0.00 O ATOM 564 CB LEU A 36 47.854 7.120 2.100 1.00 0.00 C ATOM 565 CG LEU A 36 47.197 6.915 0.735 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.886 5.762 0.003 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.716 6.580 0.929 1.00 0.00 C ATOM 0 H LEU A 36 50.073 5.921 1.867 1.00 0.00 H new ATOM 0 HA LEU A 36 49.070 8.716 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.020 6.157 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.194 7.694 2.750 1.00 0.00 H new ATOM 0 HG LEU A 36 47.292 7.827 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.417 5.617 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.941 5.997 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.791 4.849 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.246 6.433 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.623 5.668 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.223 7.400 1.451 1.00 0.00 H new ATOM 579 N GLU A 37 50.361 7.474 4.002 1.00 0.00 N ATOM 580 CA GLU A 37 50.946 7.837 5.323 1.00 0.00 C ATOM 581 C GLU A 37 51.963 6.758 5.706 1.00 0.00 C ATOM 582 O GLU A 37 52.178 5.823 4.956 1.00 0.00 O ATOM 583 CB GLU A 37 49.768 7.848 6.299 1.00 0.00 C ATOM 584 CG GLU A 37 49.950 8.982 7.307 1.00 0.00 C ATOM 585 CD GLU A 37 49.315 8.586 8.641 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.103 8.448 8.680 1.00 0.00 O ATOM 587 OE2 GLU A 37 50.050 8.427 9.601 1.00 0.00 O ATOM 0 H GLU A 37 50.506 6.502 3.728 1.00 0.00 H new ATOM 0 HA GLU A 37 51.456 8.800 5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 37 48.833 7.978 5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.704 6.892 6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 37 51.010 9.193 7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.490 9.895 6.930 1.00 0.00 H new ATOM 594 N GLU A 38 52.582 6.858 6.857 1.00 0.00 N ATOM 595 CA GLU A 38 53.566 5.810 7.259 1.00 0.00 C ATOM 596 C GLU A 38 53.479 5.532 8.755 1.00 0.00 C ATOM 597 O GLU A 38 54.374 4.954 9.338 1.00 0.00 O ATOM 598 CB GLU A 38 54.941 6.374 6.882 1.00 0.00 C ATOM 599 CG GLU A 38 55.175 7.706 7.601 1.00 0.00 C ATOM 600 CD GLU A 38 56.668 8.041 7.584 1.00 0.00 C ATOM 601 OE1 GLU A 38 57.428 7.296 8.180 1.00 0.00 O ATOM 602 OE2 GLU A 38 57.025 9.037 6.975 1.00 0.00 O ATOM 0 H GLU A 38 52.449 7.614 7.529 1.00 0.00 H new ATOM 0 HA GLU A 38 53.373 4.860 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.722 5.663 7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 38 55.001 6.518 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 38 54.608 8.499 7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 38 54.817 7.644 8.629 1.00 0.00 H new ATOM 609 N SER A 39 52.391 5.922 9.369 1.00 0.00 N ATOM 610 CA SER A 39 52.195 5.684 10.836 1.00 0.00 C ATOM 611 C SER A 39 53.458 6.043 11.632 1.00 0.00 C ATOM 612 O SER A 39 54.371 6.664 11.118 1.00 0.00 O ATOM 613 CB SER A 39 51.909 4.187 10.934 1.00 0.00 C ATOM 614 OG SER A 39 50.633 3.915 10.369 1.00 0.00 O ATOM 0 H SER A 39 51.617 6.403 8.911 1.00 0.00 H new ATOM 0 HA SER A 39 51.395 6.298 11.250 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.680 3.623 10.409 1.00 0.00 H new ATOM 0 HB3 SER A 39 51.934 3.868 11.976 1.00 0.00 H new ATOM 0 HG SER A 39 50.447 2.955 10.429 1.00 0.00 H new ATOM 620 N ASN A 40 53.525 5.628 12.866 1.00 0.00 N ATOM 621 CA ASN A 40 54.740 5.903 13.685 1.00 0.00 C ATOM 622 C ASN A 40 55.600 4.637 13.716 1.00 0.00 C ATOM 623 O ASN A 40 56.243 4.330 14.702 1.00 0.00 O ATOM 624 CB ASN A 40 54.223 6.258 15.087 1.00 0.00 C ATOM 625 CG ASN A 40 53.395 5.100 15.655 1.00 0.00 C ATOM 626 OD1 ASN A 40 53.938 4.144 16.171 1.00 0.00 O ATOM 627 ND2 ASN A 40 52.093 5.148 15.580 1.00 0.00 N ATOM 0 H ASN A 40 52.789 5.109 13.345 1.00 0.00 H new ATOM 0 HA ASN A 40 55.352 6.713 13.287 1.00 0.00 H new ATOM 0 HB2 ASN A 40 55.062 6.473 15.748 1.00 0.00 H new ATOM 0 HB3 ASN A 40 53.614 7.161 15.040 1.00 0.00 H new ATOM 0 HD21 ASN A 40 51.532 4.383 15.955 1.00 0.00 H new ATOM 0 HD22 ASN A 40 51.636 5.951 15.147 1.00 0.00 H new ATOM 634 N LEU A 41 55.595 3.890 12.635 1.00 0.00 N ATOM 635 CA LEU A 41 56.392 2.621 12.586 1.00 0.00 C ATOM 636 C LEU A 41 56.765 2.271 11.127 1.00 0.00 C ATOM 637 O LEU A 41 56.178 2.811 10.210 1.00 0.00 O ATOM 638 CB LEU A 41 55.487 1.534 13.208 1.00 0.00 C ATOM 639 CG LEU A 41 54.064 1.594 12.628 1.00 0.00 C ATOM 640 CD1 LEU A 41 53.534 0.176 12.415 1.00 0.00 C ATOM 641 CD2 LEU A 41 53.141 2.325 13.607 1.00 0.00 C ATOM 0 H LEU A 41 55.073 4.105 11.785 1.00 0.00 H new ATOM 0 HA LEU A 41 57.332 2.711 13.131 1.00 0.00 H new ATOM 0 HB2 LEU A 41 55.917 0.550 13.022 1.00 0.00 H new ATOM 0 HB3 LEU A 41 55.447 1.666 14.289 1.00 0.00 H new ATOM 0 HG LEU A 41 54.090 2.125 11.676 1.00 0.00 H new ATOM 0 HD11 LEU A 41 52.526 0.222 12.004 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.185 -0.355 11.720 1.00 0.00 H new ATOM 0 HD13 LEU A 41 53.513 -0.352 13.369 1.00 0.00 H new ATOM 0 HD21 LEU A 41 52.133 2.367 13.195 1.00 0.00 H new ATOM 0 HD22 LEU A 41 53.122 1.791 14.557 1.00 0.00 H new ATOM 0 HD23 LEU A 41 53.510 3.338 13.767 1.00 0.00 H new ATOM 653 N PRO A 42 57.744 1.389 10.938 1.00 0.00 N ATOM 654 CA PRO A 42 58.175 1.013 9.563 1.00 0.00 C ATOM 655 C PRO A 42 56.996 0.551 8.694 1.00 0.00 C ATOM 656 O PRO A 42 57.003 0.736 7.491 1.00 0.00 O ATOM 657 CB PRO A 42 59.168 -0.126 9.815 1.00 0.00 C ATOM 658 CG PRO A 42 59.284 -0.356 11.332 1.00 0.00 C ATOM 659 CD PRO A 42 58.468 0.721 12.058 1.00 0.00 C ATOM 0 HA PRO A 42 58.607 1.849 9.012 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.831 -1.037 9.320 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.143 0.123 9.395 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.916 -1.348 11.593 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.328 -0.312 11.642 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.780 0.288 12.784 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.107 1.418 12.600 1.00 0.00 H new ATOM 667 N TRP A 43 55.984 -0.035 9.282 1.00 0.00 N ATOM 668 CA TRP A 43 54.812 -0.488 8.471 1.00 0.00 C ATOM 669 C TRP A 43 53.940 0.731 8.164 1.00 0.00 C ATOM 670 O TRP A 43 53.604 1.490 9.055 1.00 0.00 O ATOM 671 CB TRP A 43 54.057 -1.482 9.359 1.00 0.00 C ATOM 672 CG TRP A 43 54.958 -2.600 9.766 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.697 -2.601 10.884 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.221 -3.868 9.097 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.407 -3.784 10.959 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.147 -4.601 9.877 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.755 -4.448 7.904 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.594 -5.863 9.489 1.00 0.00 C ATOM 679 CZ3 TRP A 43 55.203 -5.720 7.512 1.00 0.00 C ATOM 680 CH2 TRP A 43 56.119 -6.426 8.302 1.00 0.00 C ATOM 0 H TRP A 43 55.918 -0.219 10.283 1.00 0.00 H new ATOM 0 HA TRP A 43 55.098 -0.950 7.526 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.675 -0.973 10.244 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.195 -1.878 8.822 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.732 -1.803 11.611 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.044 -4.024 11.719 1.00 0.00 H new ATOM 0 HE3 TRP A 43 54.049 -3.913 7.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.302 -6.401 10.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.838 -6.157 6.594 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.458 -7.404 7.994 1.00 0.00 H new ATOM 691 N TRP A 44 53.597 0.953 6.915 1.00 0.00 N ATOM 692 CA TRP A 44 52.780 2.155 6.577 1.00 0.00 C ATOM 693 C TRP A 44 51.357 1.755 6.194 1.00 0.00 C ATOM 694 O TRP A 44 50.909 0.667 6.479 1.00 0.00 O ATOM 695 CB TRP A 44 53.477 2.778 5.361 1.00 0.00 C ATOM 696 CG TRP A 44 54.934 3.018 5.608 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.528 3.219 6.811 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.984 3.089 4.615 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.887 3.407 6.605 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.213 3.335 5.262 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.975 2.962 3.220 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.403 3.452 4.540 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.160 3.078 2.489 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.377 3.322 3.145 1.00 0.00 C ATOM 0 H TRP A 44 53.847 0.358 6.125 1.00 0.00 H new ATOM 0 HA TRP A 44 52.708 2.839 7.422 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.359 2.120 4.500 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.992 3.721 5.110 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.027 3.231 7.768 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.562 3.577 7.351 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.045 2.773 2.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.335 3.641 5.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.140 2.979 1.414 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.291 3.409 2.576 1.00 0.00 H new ATOM 715 N ARG A 45 50.665 2.633 5.523 1.00 0.00 N ATOM 716 CA ARG A 45 49.286 2.335 5.064 1.00 0.00 C ATOM 717 C ARG A 45 49.186 2.779 3.603 1.00 0.00 C ATOM 718 O ARG A 45 48.554 3.768 3.282 1.00 0.00 O ATOM 719 CB ARG A 45 48.368 3.169 5.959 1.00 0.00 C ATOM 720 CG ARG A 45 46.907 2.832 5.652 1.00 0.00 C ATOM 721 CD ARG A 45 46.085 2.894 6.942 1.00 0.00 C ATOM 722 NE ARG A 45 45.896 4.347 7.207 1.00 0.00 N ATOM 723 CZ ARG A 45 44.891 4.752 7.934 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.682 4.345 7.662 1.00 0.00 N ATOM 725 NH2 ARG A 45 45.096 5.565 8.935 1.00 0.00 N ATOM 0 H ARG A 45 51.006 3.560 5.270 1.00 0.00 H new ATOM 0 HA ARG A 45 49.017 1.280 5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.585 2.968 7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.549 4.231 5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.507 3.534 4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 45 46.837 1.837 5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 45 45.128 2.386 6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.606 2.407 7.766 1.00 0.00 H new ATOM 0 HE ARG A 45 46.552 5.026 6.820 1.00 0.00 H new ATOM 0 HH11 ARG A 45 43.522 3.710 6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 45 42.897 4.662 8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 45 46.041 5.883 9.148 1.00 0.00 H new ATOM 0 HH22 ARG A 45 44.311 5.882 9.504 1.00 0.00 H new ATOM 739 N ALA A 46 49.847 2.070 2.724 1.00 0.00 N ATOM 740 CA ALA A 46 49.853 2.451 1.280 1.00 0.00 C ATOM 741 C ALA A 46 49.007 1.471 0.465 1.00 0.00 C ATOM 742 O ALA A 46 48.737 0.367 0.899 1.00 0.00 O ATOM 743 CB ALA A 46 51.331 2.355 0.873 1.00 0.00 C ATOM 0 H ALA A 46 50.388 1.235 2.948 1.00 0.00 H new ATOM 0 HA ALA A 46 49.434 3.442 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.436 2.619 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.921 3.042 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.686 1.336 1.029 1.00 0.00 H new ATOM 749 N ARG A 47 48.591 1.864 -0.715 1.00 0.00 N ATOM 750 CA ARG A 47 47.769 0.947 -1.558 1.00 0.00 C ATOM 751 C ARG A 47 48.582 0.454 -2.750 1.00 0.00 C ATOM 752 O ARG A 47 49.576 1.048 -3.121 1.00 0.00 O ATOM 753 CB ARG A 47 46.586 1.778 -2.042 1.00 0.00 C ATOM 754 CG ARG A 47 45.660 2.092 -0.866 1.00 0.00 C ATOM 755 CD ARG A 47 45.083 3.501 -1.028 1.00 0.00 C ATOM 756 NE ARG A 47 43.675 3.396 -0.553 1.00 0.00 N ATOM 757 CZ ARG A 47 42.709 3.219 -1.412 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.849 2.360 -2.385 1.00 0.00 N ATOM 759 NH2 ARG A 47 41.602 3.900 -1.299 1.00 0.00 N ATOM 0 H ARG A 47 48.785 2.777 -1.127 1.00 0.00 H new ATOM 0 HA ARG A 47 47.446 0.070 -0.997 1.00 0.00 H new ATOM 0 HB2 ARG A 47 46.941 2.704 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.039 1.235 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.853 1.361 -0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.210 2.019 0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.645 4.228 -0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.126 3.828 -2.067 1.00 0.00 H new ATOM 0 HE ARG A 47 43.466 3.462 0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.714 1.827 -2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.093 2.222 -3.056 1.00 0.00 H new ATOM 0 HH21 ARG A 47 41.491 4.571 -0.539 1.00 0.00 H new ATOM 0 HH22 ARG A 47 40.847 3.761 -1.971 1.00 0.00 H new ATOM 773 N ASP A 48 48.163 -0.627 -3.350 1.00 0.00 N ATOM 774 CA ASP A 48 48.905 -1.171 -4.521 1.00 0.00 C ATOM 775 C ASP A 48 48.272 -0.693 -5.831 1.00 0.00 C ATOM 776 O ASP A 48 47.518 0.262 -5.855 1.00 0.00 O ATOM 777 CB ASP A 48 48.798 -2.694 -4.380 1.00 0.00 C ATOM 778 CG ASP A 48 47.328 -3.146 -4.414 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.454 -2.296 -4.331 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.104 -4.340 -4.522 1.00 0.00 O ATOM 0 H ASP A 48 47.336 -1.158 -3.078 1.00 0.00 H new ATOM 0 HA ASP A 48 49.942 -0.837 -4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.350 -3.178 -5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.258 -3.010 -3.444 1.00 0.00 H new ATOM 785 N LYS A 49 48.585 -1.346 -6.920 1.00 0.00 N ATOM 786 CA LYS A 49 48.023 -0.939 -8.239 1.00 0.00 C ATOM 787 C LYS A 49 46.613 -1.519 -8.450 1.00 0.00 C ATOM 788 O LYS A 49 46.011 -1.321 -9.488 1.00 0.00 O ATOM 789 CB LYS A 49 48.999 -1.521 -9.261 1.00 0.00 C ATOM 790 CG LYS A 49 48.709 -0.939 -10.644 1.00 0.00 C ATOM 791 CD LYS A 49 49.760 0.120 -10.992 1.00 0.00 C ATOM 792 CE LYS A 49 49.182 1.094 -12.022 1.00 0.00 C ATOM 793 NZ LYS A 49 50.348 1.887 -12.498 1.00 0.00 N ATOM 0 H LYS A 49 49.211 -2.150 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 49 47.918 0.143 -8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 49 50.024 -1.294 -8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.908 -2.607 -9.287 1.00 0.00 H new ATOM 0 HG2 LYS A 49 48.717 -1.732 -11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 49 47.713 -0.496 -10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.059 0.660 -10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 49 50.655 -0.358 -11.390 1.00 0.00 H new ATOM 0 HE2 LYS A 49 48.705 0.561 -12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 49 48.423 1.737 -11.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 50.031 2.578 -13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 50.778 2.388 -11.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 51.050 1.250 -12.924 1.00 0.00 H new ATOM 807 N ASN A 50 46.082 -2.228 -7.482 1.00 0.00 N ATOM 808 CA ASN A 50 44.720 -2.810 -7.637 1.00 0.00 C ATOM 809 C ASN A 50 43.671 -1.885 -7.010 1.00 0.00 C ATOM 810 O ASN A 50 42.511 -1.912 -7.377 1.00 0.00 O ATOM 811 CB ASN A 50 44.772 -4.144 -6.894 1.00 0.00 C ATOM 812 CG ASN A 50 45.638 -5.132 -7.678 1.00 0.00 C ATOM 813 OD1 ASN A 50 46.568 -5.702 -7.141 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.371 -5.361 -8.934 1.00 0.00 N ATOM 0 H ASN A 50 46.538 -2.426 -6.591 1.00 0.00 H new ATOM 0 HA ASN A 50 44.443 -2.937 -8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 50 45.181 -4.000 -5.894 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.765 -4.544 -6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 50 45.942 -6.018 -9.465 1.00 0.00 H new ATOM 0 HD22 ASN A 50 44.591 -4.883 -9.385 1.00 0.00 H new ATOM 821 N GLY A 51 44.072 -1.073 -6.064 1.00 0.00 N ATOM 822 CA GLY A 51 43.106 -0.150 -5.402 1.00 0.00 C ATOM 823 C GLY A 51 42.814 -0.652 -3.987 1.00 0.00 C ATOM 824 O GLY A 51 41.750 -0.415 -3.445 1.00 0.00 O ATOM 0 H GLY A 51 45.031 -1.011 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.517 0.859 -5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.183 -0.097 -5.979 1.00 0.00 H new ATOM 828 N GLN A 52 43.750 -1.348 -3.389 1.00 0.00 N ATOM 829 CA GLN A 52 43.531 -1.873 -2.009 1.00 0.00 C ATOM 830 C GLN A 52 44.600 -1.328 -1.057 1.00 0.00 C ATOM 831 O GLN A 52 45.782 -1.382 -1.341 1.00 0.00 O ATOM 832 CB GLN A 52 43.658 -3.391 -2.143 1.00 0.00 C ATOM 833 CG GLN A 52 42.284 -3.994 -2.445 1.00 0.00 C ATOM 834 CD GLN A 52 41.462 -4.063 -1.157 1.00 0.00 C ATOM 835 OE1 GLN A 52 41.511 -3.164 -0.342 1.00 0.00 O ATOM 836 NE2 GLN A 52 40.701 -5.101 -0.938 1.00 0.00 N ATOM 0 H GLN A 52 44.656 -1.574 -3.799 1.00 0.00 H new ATOM 0 HA GLN A 52 42.564 -1.576 -1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.359 -3.639 -2.940 1.00 0.00 H new ATOM 0 HB3 GLN A 52 44.059 -3.816 -1.223 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.765 -3.389 -3.188 1.00 0.00 H new ATOM 0 HG3 GLN A 52 42.398 -4.991 -2.870 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.659 -5.856 -1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 52 40.148 -5.157 -0.083 1.00 0.00 H new ATOM 845 N GLU A 53 44.188 -0.808 0.071 1.00 0.00 N ATOM 846 CA GLU A 53 45.171 -0.259 1.053 1.00 0.00 C ATOM 847 C GLU A 53 45.527 -1.325 2.089 1.00 0.00 C ATOM 848 O GLU A 53 44.711 -2.160 2.435 1.00 0.00 O ATOM 849 CB GLU A 53 44.448 0.912 1.721 1.00 0.00 C ATOM 850 CG GLU A 53 45.431 1.687 2.601 1.00 0.00 C ATOM 851 CD GLU A 53 44.662 2.412 3.707 1.00 0.00 C ATOM 852 OE1 GLU A 53 44.397 1.789 4.722 1.00 0.00 O ATOM 853 OE2 GLU A 53 44.353 3.577 3.521 1.00 0.00 O ATOM 0 H GLU A 53 43.211 -0.740 0.355 1.00 0.00 H new ATOM 0 HA GLU A 53 46.102 0.052 0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 53 44.025 1.571 0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 53 43.617 0.544 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 53 46.161 1.005 3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.987 2.405 1.999 1.00 0.00 H new ATOM 860 N GLY A 54 46.737 -1.302 2.591 1.00 0.00 N ATOM 861 CA GLY A 54 47.143 -2.312 3.610 1.00 0.00 C ATOM 862 C GLY A 54 48.436 -1.852 4.273 1.00 0.00 C ATOM 863 O GLY A 54 48.716 -0.674 4.316 1.00 0.00 O ATOM 0 H GLY A 54 47.459 -0.627 2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.358 -2.431 4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.286 -3.285 3.140 1.00 0.00 H new ATOM 867 N TYR A 55 49.222 -2.759 4.802 1.00 0.00 N ATOM 868 CA TYR A 55 50.484 -2.332 5.473 1.00 0.00 C ATOM 869 C TYR A 55 51.701 -2.450 4.545 1.00 0.00 C ATOM 870 O TYR A 55 51.670 -3.140 3.545 1.00 0.00 O ATOM 871 CB TYR A 55 50.636 -3.246 6.689 1.00 0.00 C ATOM 872 CG TYR A 55 49.696 -2.794 7.781 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.310 -2.887 7.598 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.209 -2.280 8.977 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.440 -2.465 8.610 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.340 -1.859 9.990 1.00 0.00 C ATOM 877 CZ TYR A 55 47.955 -1.952 9.806 1.00 0.00 C ATOM 878 OH TYR A 55 47.097 -1.536 10.805 1.00 0.00 O ATOM 0 H TYR A 55 49.045 -3.764 4.797 1.00 0.00 H new ATOM 0 HA TYR A 55 50.433 -1.281 5.756 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.418 -4.277 6.411 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.665 -3.223 7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.913 -3.284 6.676 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.277 -2.208 9.119 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.372 -2.535 8.468 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.737 -1.463 10.913 1.00 0.00 H new ATOM 0 HH TYR A 55 47.618 -1.208 11.568 1.00 0.00 H new ATOM 888 N ILE A 56 52.770 -1.759 4.874 1.00 0.00 N ATOM 889 CA ILE A 56 54.003 -1.789 4.018 1.00 0.00 C ATOM 890 C ILE A 56 55.280 -1.764 4.888 1.00 0.00 C ATOM 891 O ILE A 56 55.612 -0.722 5.417 1.00 0.00 O ATOM 892 CB ILE A 56 53.942 -0.479 3.218 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.652 -0.410 2.395 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.152 -0.366 2.282 1.00 0.00 C ATOM 895 CD1 ILE A 56 52.587 -1.574 1.407 1.00 0.00 C ATOM 0 H ILE A 56 52.841 -1.171 5.705 1.00 0.00 H new ATOM 0 HA ILE A 56 54.038 -2.686 3.400 1.00 0.00 H new ATOM 0 HB ILE A 56 53.957 0.350 3.926 1.00 0.00 H new ATOM 0 HG12 ILE A 56 51.788 -0.439 3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.608 0.536 1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 56 55.093 0.568 1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 56 56.070 -0.380 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.154 -1.206 1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 56 51.664 -1.510 0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 56 53.441 -1.526 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 56 52.609 -2.517 1.954 1.00 0.00 H new ATOM 907 N PRO A 57 55.995 -2.876 4.994 1.00 0.00 N ATOM 908 CA PRO A 57 57.251 -2.873 5.788 1.00 0.00 C ATOM 909 C PRO A 57 58.244 -1.876 5.168 1.00 0.00 C ATOM 910 O PRO A 57 58.631 -2.008 4.022 1.00 0.00 O ATOM 911 CB PRO A 57 57.747 -4.316 5.647 1.00 0.00 C ATOM 912 CG PRO A 57 56.752 -5.099 4.767 1.00 0.00 C ATOM 913 CD PRO A 57 55.610 -4.163 4.357 1.00 0.00 C ATOM 0 HA PRO A 57 57.125 -2.574 6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.741 -4.332 5.199 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.832 -4.783 6.628 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.256 -5.488 3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.359 -5.956 5.313 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.532 -4.071 3.274 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.645 -4.520 4.717 1.00 0.00 H new ATOM 921 N SER A 58 58.640 -0.870 5.909 1.00 0.00 N ATOM 922 CA SER A 58 59.590 0.161 5.364 1.00 0.00 C ATOM 923 C SER A 58 60.814 -0.489 4.701 1.00 0.00 C ATOM 924 O SER A 58 61.334 0.012 3.720 1.00 0.00 O ATOM 925 CB SER A 58 60.027 0.983 6.577 1.00 0.00 C ATOM 926 OG SER A 58 60.964 0.235 7.340 1.00 0.00 O ATOM 0 H SER A 58 58.347 -0.714 6.873 1.00 0.00 H new ATOM 0 HA SER A 58 59.111 0.767 4.595 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.473 1.923 6.252 1.00 0.00 H new ATOM 0 HB3 SER A 58 59.162 1.236 7.190 1.00 0.00 H new ATOM 0 HG SER A 58 61.479 0.842 7.911 1.00 0.00 H new ATOM 932 N ASN A 59 61.280 -1.586 5.234 1.00 0.00 N ATOM 933 CA ASN A 59 62.477 -2.263 4.647 1.00 0.00 C ATOM 934 C ASN A 59 62.117 -2.941 3.321 1.00 0.00 C ATOM 935 O ASN A 59 62.885 -2.945 2.380 1.00 0.00 O ATOM 936 CB ASN A 59 62.903 -3.291 5.710 1.00 0.00 C ATOM 937 CG ASN A 59 61.916 -4.467 5.778 1.00 0.00 C ATOM 938 OD1 ASN A 59 62.079 -5.451 5.084 1.00 0.00 O ATOM 939 ND2 ASN A 59 60.897 -4.403 6.591 1.00 0.00 N ATOM 0 H ASN A 59 60.883 -2.046 6.054 1.00 0.00 H new ATOM 0 HA ASN A 59 63.282 -1.565 4.416 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.901 -3.664 5.479 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.962 -2.806 6.685 1.00 0.00 H new ATOM 0 HD21 ASN A 59 60.237 -5.179 6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.760 -3.577 7.173 1.00 0.00 H new ATOM 946 N TYR A 60 60.960 -3.530 3.271 1.00 0.00 N ATOM 947 CA TYR A 60 60.520 -4.246 2.030 1.00 0.00 C ATOM 948 C TYR A 60 60.396 -3.288 0.838 1.00 0.00 C ATOM 949 O TYR A 60 60.748 -3.635 -0.273 1.00 0.00 O ATOM 950 CB TYR A 60 59.152 -4.844 2.373 1.00 0.00 C ATOM 951 CG TYR A 60 59.310 -6.298 2.753 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.707 -6.645 4.051 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.058 -7.299 1.808 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.851 -7.991 4.402 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.202 -8.647 2.159 1.00 0.00 C ATOM 956 CZ TYR A 60 59.599 -8.993 3.457 1.00 0.00 C ATOM 957 OH TYR A 60 59.742 -10.321 3.804 1.00 0.00 O ATOM 0 H TYR A 60 60.289 -3.551 4.039 1.00 0.00 H new ATOM 0 HA TYR A 60 61.245 -5.005 1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.699 -4.291 3.196 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.480 -4.753 1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.902 -5.873 4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.752 -7.032 0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.157 -8.258 5.403 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.007 -9.419 1.430 1.00 0.00 H new ATOM 0 HH TYR A 60 59.528 -10.886 3.032 1.00 0.00 H new ATOM 967 N VAL A 61 59.883 -2.098 1.045 1.00 0.00 N ATOM 968 CA VAL A 61 59.729 -1.146 -0.104 1.00 0.00 C ATOM 969 C VAL A 61 60.812 -0.068 -0.096 1.00 0.00 C ATOM 970 O VAL A 61 61.540 0.099 0.863 1.00 0.00 O ATOM 971 CB VAL A 61 58.351 -0.499 0.050 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.269 -1.570 -0.076 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.238 0.179 1.418 1.00 0.00 C ATOM 0 H VAL A 61 59.567 -1.747 1.949 1.00 0.00 H new ATOM 0 HA VAL A 61 59.826 -1.681 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 61 58.221 0.250 -0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.287 -1.110 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.340 -2.045 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.407 -2.320 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.254 0.636 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.374 -0.563 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.006 0.948 1.508 1.00 0.00 H new ATOM 983 N THR A 62 60.903 0.669 -1.172 1.00 0.00 N ATOM 984 CA THR A 62 61.913 1.759 -1.272 1.00 0.00 C ATOM 985 C THR A 62 61.313 2.921 -2.082 1.00 0.00 C ATOM 986 O THR A 62 60.132 3.183 -1.997 1.00 0.00 O ATOM 987 CB THR A 62 63.114 1.122 -1.989 1.00 0.00 C ATOM 988 OG1 THR A 62 64.145 2.089 -2.129 1.00 0.00 O ATOM 989 CG2 THR A 62 62.697 0.617 -3.374 1.00 0.00 C ATOM 0 H THR A 62 60.311 0.559 -1.996 1.00 0.00 H new ATOM 0 HA THR A 62 62.212 2.167 -0.306 1.00 0.00 H new ATOM 0 HB THR A 62 63.475 0.279 -1.399 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.913 1.685 -2.584 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.557 0.168 -3.872 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.909 -0.129 -3.267 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.328 1.452 -3.970 1.00 0.00 H new ATOM 997 N GLU A 63 62.102 3.613 -2.865 1.00 0.00 N ATOM 998 CA GLU A 63 61.552 4.742 -3.671 1.00 0.00 C ATOM 999 C GLU A 63 60.862 4.201 -4.925 1.00 0.00 C ATOM 1000 O GLU A 63 61.364 3.317 -5.587 1.00 0.00 O ATOM 1001 CB GLU A 63 62.761 5.604 -4.042 1.00 0.00 C ATOM 1002 CG GLU A 63 62.363 7.080 -4.017 1.00 0.00 C ATOM 1003 CD GLU A 63 63.154 7.842 -5.081 1.00 0.00 C ATOM 1004 OE1 GLU A 63 62.875 7.645 -6.253 1.00 0.00 O ATOM 1005 OE2 GLU A 63 64.028 8.607 -4.708 1.00 0.00 O ATOM 0 H GLU A 63 63.101 3.444 -2.980 1.00 0.00 H new ATOM 0 HA GLU A 63 60.807 5.318 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.577 5.425 -3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 63 63.125 5.331 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.294 7.182 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 63 62.558 7.503 -3.032 1.00 0.00 H new ATOM 1012 N ALA A 64 59.703 4.725 -5.240 1.00 0.00 N ATOM 1013 CA ALA A 64 58.934 4.249 -6.438 1.00 0.00 C ATOM 1014 C ALA A 64 59.829 4.144 -7.682 1.00 0.00 C ATOM 1015 O ALA A 64 60.963 4.583 -7.681 1.00 0.00 O ATOM 1016 CB ALA A 64 57.861 5.309 -6.658 1.00 0.00 C ATOM 0 H ALA A 64 59.250 5.471 -4.713 1.00 0.00 H new ATOM 0 HA ALA A 64 58.522 3.253 -6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 64 57.251 5.036 -7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 64 57.229 5.376 -5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 64 58.335 6.274 -6.839 1.00 0.00 H new ATOM 1022 N GLU A 65 59.318 3.568 -8.742 1.00 0.00 N ATOM 1023 CA GLU A 65 60.129 3.432 -9.991 1.00 0.00 C ATOM 1024 C GLU A 65 60.370 4.807 -10.617 1.00 0.00 C ATOM 1025 O GLU A 65 59.558 5.705 -10.493 1.00 0.00 O ATOM 1026 CB GLU A 65 59.288 2.558 -10.925 1.00 0.00 C ATOM 1027 CG GLU A 65 59.659 1.089 -10.723 1.00 0.00 C ATOM 1028 CD GLU A 65 60.932 0.770 -11.510 1.00 0.00 C ATOM 1029 OE1 GLU A 65 62.005 0.926 -10.950 1.00 0.00 O ATOM 1030 OE2 GLU A 65 60.812 0.376 -12.657 1.00 0.00 O ATOM 0 H GLU A 65 58.374 3.186 -8.796 1.00 0.00 H new ATOM 0 HA GLU A 65 61.108 2.993 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 65 58.227 2.707 -10.722 1.00 0.00 H new ATOM 0 HB3 GLU A 65 59.458 2.847 -11.962 1.00 0.00 H new ATOM 0 HG2 GLU A 65 59.813 0.884 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 65 58.843 0.448 -11.056 1.00 0.00 H new ATOM 1037 N ASP A 66 61.481 4.976 -11.288 1.00 0.00 N ATOM 1038 CA ASP A 66 61.785 6.292 -11.928 1.00 0.00 C ATOM 1039 C ASP A 66 61.693 6.176 -13.453 1.00 0.00 C ATOM 1040 O ASP A 66 61.175 5.209 -13.980 1.00 0.00 O ATOM 1041 CB ASP A 66 63.217 6.631 -11.494 1.00 0.00 C ATOM 1042 CG ASP A 66 64.179 5.526 -11.944 1.00 0.00 C ATOM 1043 OD1 ASP A 66 64.357 4.581 -11.193 1.00 0.00 O ATOM 1044 OD2 ASP A 66 64.720 5.644 -13.031 1.00 0.00 O ATOM 0 H ASP A 66 62.193 4.257 -11.421 1.00 0.00 H new ATOM 0 HA ASP A 66 61.079 7.067 -11.629 1.00 0.00 H new ATOM 0 HB2 ASP A 66 63.520 7.585 -11.925 1.00 0.00 H new ATOM 0 HB3 ASP A 66 63.260 6.743 -10.411 1.00 0.00 H new ATOM 1049 N SER A 67 62.192 7.158 -14.165 1.00 0.00 N ATOM 1050 CA SER A 67 62.142 7.124 -15.666 1.00 0.00 C ATOM 1051 C SER A 67 60.711 6.874 -16.158 1.00 0.00 C ATOM 1052 O SER A 67 59.794 7.080 -15.381 1.00 0.00 O ATOM 1053 CB SER A 67 63.062 5.972 -16.078 1.00 0.00 C ATOM 1054 OG SER A 67 63.778 6.339 -17.249 1.00 0.00 O ATOM 1055 OXT SER A 67 60.560 6.481 -17.303 1.00 0.00 O ATOM 0 H SER A 67 62.635 7.988 -13.771 1.00 0.00 H new ATOM 0 HA SER A 67 62.459 8.072 -16.101 1.00 0.00 H new ATOM 0 HB2 SER A 67 63.757 5.740 -15.271 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.476 5.072 -16.263 1.00 0.00 H new ATOM 0 HG SER A 67 64.369 5.604 -17.515 1.00 0.00 H new TER 1061 SER A 67